A0A3Q0KRH5_SCHMA Loading...

Putative monocarboxylate transporter

AlphaFold DB , UniProt , Accession A0A3Q0KRH5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 772 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	33.8	Very low	30.4	Very low	243 Å²	243	162.5 Å²	162.5	100%	1.197	83%	0.825	S	S	*	*				0	93.9	0	-94	-174.2	160.8	0	0	107
2	E	35.4	Very low	30.3	Very low	182 Å²	182	162.7 Å²	162.7	85%	0.85	83%	0.828	S	S	*	*			trans	-159.5	91.7	158.9	-115.6	171.1	-167.2	0	0	106.5	I4	E2-I4 PolarHBondContact O-N 3.17Å
3	T	31.4	Very low	30.1	Very low	141 Å²	141	159 Å²	159	87%	0.865	82%	0.822	S	S	*	*			trans	-75.7	104.4	168.8	28.2	0	0	0	0	108
4	I	32.6	Very low	30	Very low	160 Å²	160	162.1 Å²	162.1	82%	0.821	83%	0.831	S	S	*	*			trans	-91.5	108	165.2	-64.9	175.8	0	0	0	106.9	E2	E2-I4 PolarHBondContact O-N 3.17Å
5	K	29.7	Very low	29.8	Very low	167 Å²	167	155 Å²	155	73%	0.726	81%	0.813	S	S	*	*			trans	-88.8	152.1	169.6	-90.4	-177.8	171.2	-175	0	109.3
6	E	28.9	Very low	29.9	Very low	153 Å²	153	153.6 Å²	153.6	72%	0.715	82%	0.816	S	S	*	*			trans	78.6	103.5	154.2	-71.7	163.1	-153.1	0	0	118.5
7	H	28.5	Very low	29.7	Very low	197 Å²	197	150.4 Å²	150.4	91%	0.912	80%	0.804	S	S	*	*			trans	-151.5	98.3	131.6	-91.4	-64.9	0	0	0	108.9
8	P	27.4	Very low	29.4	Very low	95 Å²	95	148.5 Å²	148.5	62%	0.617	80%	0.804	S	S	*	*			trans	-91	156.5	160.2	34.2	-24.6	0	0	0	110.3
9	D	27.8	Very low	29.2	Very low	148 Å²	148	151.3 Å²	151.3	79%	0.791	80%	0.804	S	S	*	*			trans	86.7	84.5	164.9	-49.6	-28.3	0	0	0	117.9
10	D	30.9	Very low	28.9	Very low	151 Å²	151	152.1 Å²	152.1	81%	0.807	81%	0.807	S	S	*	*			trans	-139.3	90.8	149.6	-97.5	-30.8	0	0	0	111.8
11	I	28	Very low	28.6	Very low	150 Å²	150	156.2 Å²	156.2	77%	0.769	81%	0.812	S	S	*	*				44.1	98.3	129	-49.6	164.9	0	0	0	117
12	L	29	Very low	28.1	Very low	165 Å²	165	152 Å²	152	86%	0.864	79%	0.792	S	S	*	*			trans	-125.5	142.4	148.5	-84.5	167.9	0	0	0	110.1
13	P	28.6	Very low	27.6	Very low	115 Å²	115	148.2 Å²	148.2	75%	0.747	78%	0.784	S	S	*	*			trans	-84.3	139.6	-154	-5.7	25.1	0	0	0	112.9	G15	P13-G15 PolarHBondContact O-N 2.72Å
14	Q	28.3	Very low	27.1	Very low	203 Å²	203	147.4 Å²	147.4	95%	0.949	78%	0.784	S	S	*	*			trans	-68.7	107.5	176.1	-65.3	177.6	-7.7	0	0	111.1
15	G	27.5	Very low	26.8	Very low	55 Å²	55	145.1 Å²	145.1	57%	0.567	78%	0.782	S	S	*	*			trans	-87.1	142.9	158.9	0	0	0	0	0	110.3	P13 T17	P13-G15 PolarHBondContact O-N 2.72Å; G15-T17 PolarHBondContact O-N 3.04Å
16	P	30.2	Very low	26.5	Very low	133 Å²	133	145.3 Å²	145.3	86%	0.864	79%	0.785	S	S	*	*			trans	-77.6	96	-167.8	31.4	-33	0	0	0	110.9	S18	P16-S18 PolarHBondContact O-N 2.73Å
17	T	27.9	Very low	26.3	Very low	99 Å²	99	143.4 Å²	143.4	61%	0.607	79%	0.786	S	S	*	*			trans	-73.8	103.8	165.2	40.9	0	0	0	0	108.9	G15 Y19	G15-T17 PolarHBondContact O-N 3.04Å; T17-Y19 VanDerWaalsContact O-CD2 3.22Å; T17-Y19 WeakPolarHBondContact O-CD2 3.46Å; T17-Y19 PolarHBondContact O-N 2.82Å; T17-Y19 VanDerWaalsContact OG1-CE2 3.26Å; T17-Y19 WeakPolarHBondContact OG1-CE2 3.42Å
18	S	23.8	Very low	26.1	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	78%	0.778	S	S	*	*			trans	-65.3	91	171	50.9	0	0	0	0	110.1	P16 L20	P16-S18 PolarHBondContact O-N 2.73Å; S18-L20 PolarHBondContact O-N 3.39Å
19	Y	25.5	Very low	25.8	Very low	201 Å²	201	143 Å²	143	79%	0.788	79%	0.785	S	S	*	*			trans	-70.4	110	167.5	-69	-82	0	0	0	108.8	T17 R21	T17-Y19 VanDerWaalsContact O-CD2 3.22Å; T17-Y19 WeakPolarHBondContact O-CD2 3.46Å; T17-Y19 PolarHBondContact O-N 2.82Å; T17-Y19 VanDerWaalsContact OG1-CE2 3.26Å; T17-Y19 WeakPolarHBondContact OG1-CE2 3.42Å; Y19-R21 PolarHBondContact O-N 3.3Å
20	L	22.7	Very low	25.6	Very low	168 Å²	168	145.7 Å²	145.7	88%	0.88	79%	0.786	S	S	*	*			trans	-55.3	104.3	166.9	-88.8	154.6	0	0	0	109	S18 I22	S18-L20 PolarHBondContact O-N 3.39Å; L20-I22 PolarHBondContact O-N 3.37Å
21	R	22.3	Very low	25.1	Very low	239 Å²	239	147 Å²	147	90%	0.902	78%	0.784	S	S	*	*			trans	-75.5	96.4	176.6	-173.2	-173.9	-80.4	-176.8	-5.6	108.3	Y19	Y19-R21 PolarHBondContact O-N 3.3Å
22	I	23.6	Very low	24.8	Very low	154 Å²	154	144.8 Å²	144.8	79%	0.79	78%	0.782	S	S	*	*			trans	-83.1	122.5	167.3	-60.1	174.6	0	0	0	107.4	L20	L20-I22 PolarHBondContact O-N 3.37Å
23	P	24.5	Very low	24.4	Very low	103 Å²	103	142.2 Å²	142.2	67%	0.669	77%	0.773	S	S	*	*			trans	-68.1	139.4	-175.4	26.2	-32.4	0	0	0	111.8	S25	P23-S25 VanDerWaalsContact C-N 3.35Å; P23-S25 PolarHBondContact O-N 2.9Å
24	S	22.1	Very low	24.1	Very low	124 Å²	124	141 Å²	141	87%	0.867	77%	0.768	S	S	*	*			trans	-60	87.6	173	54.2	0	0	0	0	111
25	S	25.9	Very low	23.7	Very low	111 Å²	111	135.6 Å²	135.6	78%	0.776	75%	0.749	S	S	*	*			trans	-85.9	141.1	158	45.2	0	0	0	0	107.8	P23	P23-S25 VanDerWaalsContact C-N 3.35Å; P23-S25 PolarHBondContact O-N 2.9Å
26	H	23.4	Very low	23.6	Very low	172 Å²	172	138.1 Å²	138.1	80%	0.796	75%	0.753	S	S	*	*			trans	-46.9	151.6	-172.3	-85.5	-92	0	0	0	113.3	E28	H26-E28 PolarHBondContact O-N 2.89Å
27	P	24.9	Very low	23.3	Very low	113 Å²	113	141.1 Å²	141.1	73%	0.734	75%	0.748	S	S	*	*			trans	-64.6	87.6	171.3	29.5	-32.4	0	0	0	107.6	T29	P27-T29 PolarHBondContact O-N 3Å
28	E	23.7	Very low	23.3	Very low	157 Å²	157	143.4 Å²	143.4	73%	0.734	76%	0.757	S	S	*	*			trans	-58.8	104.5	152.8	-74.9	-173.2	173.1	0	0	104.4	H26 Y30	H26-E28 PolarHBondContact O-N 2.89Å; E28-Y30 WeakPolarHBondContact O-CD2 3.49Å; E28-Y30 PolarHBondContact O-N 3.11Å
29	T	22.4	Very low	23.8	Very low	127 Å²	127	143.7 Å²	143.7	78%	0.779	75%	0.753	S	S	*	*			trans	-47.7	88.3	167.8	-24.7	0	0	0	0	106.7	P27 K31	P27-T29 PolarHBondContact O-N 3Å; T29-K31 PolarHBondContact O-N 3.49Å
30	Y	22.2	Very low	24.4	Very low	204 Å²	204	139.5 Å²	139.5	80%	0.8	75%	0.745	S	S	*	*			trans	-60.9	91.3	156.7	-85.5	-91.6	0	0	0	102.7	E28 S32	E28-Y30 WeakPolarHBondContact O-CD2 3.49Å; E28-Y30 PolarHBondContact O-N 3.11Å; Y30-S32 PolarHBondContact O-N 2.8Å
31	K	21	Very low	25.7	Very low	178 Å²	178	135 Å²	135	77%	0.774	73%	0.726	S	S	*	*			trans	-46.7	101.5	145.2	-80.3	-178.5	174.8	179.9	0	102.6	T29 T33	T29-K31 PolarHBondContact O-N 3.49Å; K31-T33 PolarHBondContact O-N 3.33Å; K31-T33 PolarHBondContact O-OG1 2.87Å
32	S	21.5	Very low	27.2	Very low	103 Å²	103	126 Å²	126	72%	0.72	69%	0.694	S	S	*	*			trans	-58.3	80.6	154.2	56	0	0	0	0	104.3	Y30 S34	Y30-S32 PolarHBondContact O-N 2.8Å; S32-S34 PolarHBondContact O-N 3.4Å
33	T	20.7	Very low	28.5	Very low	111 Å²	111	119.5 Å²	119.5	68%	0.681	66%	0.661	S	S	*	*			trans	-61.2	81	144.9	-6.3	0	0	0	0	102.3	K31 T35	K31-T33 PolarHBondContact O-N 3.33Å; K31-T33 PolarHBondContact O-OG1 2.87Å; T33-T35 HydrophobicContact CG2-CG2 4.18Å; T33-T35 PolarHBondContact O-N 2.8Å
34	S	21.5	Very low	30.1	Very low	91 Å²	91	116.9 Å²	116.9	64%	0.636	64%	0.644	S	S	*	*			trans	-59.9	78.8	146.4	58.1	0	0	0	0	103.6	S32 V36	S32-S34 PolarHBondContact O-N 3.4Å; S34-V36 PolarHBondContact O-N 3.3Å
35	T	21.4	Very low	31.7	Very low	89 Å²	89	113.9 Å²	113.9	55%	0.546	62%	0.618	S	S	.	*			trans	-62.5	81.5	146.8	48	0	0	0	0	102.7	T33 Y37	T33-T35 HydrophobicContact CG2-CG2 4.18Å; T33-T35 PolarHBondContact O-N 2.8Å; T35-Y37 WeakPolarHBondContact O-CD2 3.47Å; T35-Y37 PolarHBondContact O-N 2.94Å
36	V	24.7	Very low	33.2	Very low	108 Å²	108	112 Å²	112	66%	0.655	60%	0.599	S	S	*	*			trans	-49.5	100.8	150.9	177.4	0	0	0	0	101.3	S34 D38	S34-V36 PolarHBondContact O-N 3.3Å; V36-D38 VanDerWaalsContact C-N 3.32Å; V36-D38 PolarHBondContact O-N 3.3Å
37	Y	24.4	Very low	34.6	Very low	195 Å²	195	109.9 Å²	109.9	77%	0.765	59%	0.593	S	S	*	*			trans	-54.9	112.3	168.3	-76.4	-92.9	0	0	0	103.3	T35 V39	T35-Y37 WeakPolarHBondContact O-CD2 3.47Å; T35-Y37 PolarHBondContact O-N 2.94Å; Y37-V39 PolarHBondContact O-N 2.94Å
38	D	26.9	Very low	35.7	Very low	148 Å²	148	106.6 Å²	106.6	79%	0.791	57%	0.573	S	S	*	*			trans	-53.8	96.9	177.7	-81.3	-43.5	0	0	0	106.4	V36 D40	V36-D38 VanDerWaalsContact C-N 3.32Å; V36-D38 PolarHBondContact O-N 3.3Å; D38-D40 VanDerWaalsContact C-N 3.29Å; D38-D40 PolarHBondContact O-N 3.4Å
39	V	33.6	Very low	37.2	Very low	121 Å²	121	108.1 Å²	108.1	73%	0.733	59%	0.586	S	S	*	*			trans	-70.8	102	164.2	178.1	0	0	0	0	102.5	Y37 P41	Y37-V39 PolarHBondContact O-N 2.94Å; V39-P41 WeakPolarHBondContact O-CD 3.36Å
40	D	39.1	Very low	38.6	Very low	114 Å²	114	104.5 Å²	104.5	61%	0.61	57%	0.574	S	S	*	*			trans	-44.7	116.4	172.7	-79.8	-27.5	0	0	0	107.6	D38 I42 K61	D38-D40 VanDerWaalsContact C-N 3.29Å; D38-D40 PolarHBondContact O-N 3.4Å; D40-I42 PolarHBondContact O-N 3.34Å; D40-K61 PolarHBondContact O-NZ 3.22Å
41	P	50.6	Low	40.1	Very low	74 Å²	74	101.4 Å²	101.4	48%	0.481	57%	0.571	S	S	.	*			trans	-62.2	138.6	-166.5	24.1	-33.3	0	0	0	109.6	V39 L43 T44	V39-P41 WeakPolarHBondContact O-CD 3.36Å; P41-L43 WeakPolarHBondContact CB-O 3.45Å; P41-L43 PolarHBondContact O-N 3.45Å; P41-T44 HydrophobicContact CG-CG2 4Å
42	I	53.8	Low	41.4	Very low	48 Å²	48	96.4 Å²	96.4	25%	0.246	55%	0.553	C	S	.	*	S	Bend	trans	-60.1	-24.4	175.5	-62	167.3	0	0	0	110.7	D40 D58 K61 L62 V469	D40-I42 PolarHBondContact O-N 3.34Å; I42-D58 PolarHBondContact O-N 2.99Å; I42-D58 VanDerWaalsContact O-N 3.09Å; I42-K61 HydrophobicContact CG1-CB 4.27Å; I42-K61 HydrophobicContact CG1-CD 4.29Å; I42-L62 HydrophobicContact CG2-CD1 3.87Å; I42-L62 HydrophobicContact CG2-CG 4.25Å; I42-V469 HydrophobicContact CB-CG2 4.08Å; I42-V469 HydrophobicContact CD1-CG1 3.72Å; I42-V469 HydrophobicContact CD1-CG2 4.42Å; I42-V469 HydrophobicContact CG2-CG1 4.31Å; I42-V469 HydrophobicContact CG2-CG2 3.72Å
43	L	50.9	Low	43.1	Very low	18 Å²	18	91.8 Å²	91.8	9%	0.094	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	111.4	177.9	-83	152.9	0	0	0	109.3	P41 V55 E56 I57 C465 V469	P41-L43 WeakPolarHBondContact CB-O 3.45Å; P41-L43 PolarHBondContact O-N 3.45Å; L43-V55 HydrophobicContact CD2-CG1 3.31Å; L43-E56 WeakPolarHBondContact CA-O 3.25Å; L43-I57 HydrophobicContact CD2-CD1 4.15Å; L43-I57 HydrophobicContact CD2-CG1 3.52Å; L43-I57 HydrophobicContact CG-CG1 4.38Å; L43-C465 HydrophobicContact CD1-CB 3.56Å; L43-C465 WeakPolarHBondContact CD1-O 3.19Å; L43-V469 HydrophobicContact CD1-CG2 3.68Å; L43-V469 HydrophobicContact CG-CG2 4.37Å
44	T	56.8	Low	44.7	Very low	49 Å²	49	89 Å²	89	30%	0.301	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.6	170.5	38.2	0	0	0	0	109.8	P41 E56	P41-T44 HydrophobicContact CG-CG2 4Å; T44-E56 PolarHBondContact N-O 3.15Å; T44-E56 PolarHBondContact O-N 2.79Å; T44-E56 WeakPolarHBondContact OG1-CB 3.13Å; T44-E56 PolarHBondContact OG1-OE2 3.46Å
45	L	55.9	Low	46.5	Very low	61 Å²	61	84.9 Å²	84.9	32%	0.319	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	110.7	176.8	-82.4	151.6	0	0	0	108.8	V53 V55 L456 L459	L45-V53 HydrophobicContact CD2-CG1 3.67Å; L45-V55 HydrophobicContact CD2-CG2 3.87Å; L45-L456 HydrophobicContact CD2-CD1 4.07Å; L45-L459 HydrophobicContact CD1-CB 4.43Å; L45-L459 HydrophobicContact CD2-CB 4.16Å; L45-L459 HydrophobicContact CD2-CD2 4.06Å
46	N	57.1	Low	48.3	Very low	70 Å²	70	83.8 Å²	83.8	37%	0.374	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.9	174	-70.7	-20.6	0	0	0	109.3	S48 E54	N46-S48 PolarHBondContact O-N 3.42Å; N46-E54 HydrophobicContact CB-CB 4.41Å; N46-E54 PolarHBondContact N-O 3.43Å; N46-E54 PolarHBondContact O-N 2.86Å; N46-E54 VanDerWaalsContact O-N 3.13Å
47	N	54.1	Low	50	Low	129 Å²	129	78.7 Å²	78.7	69%	0.69	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	110.2	166.5	-89.1	-11.1	0	0	0	108.2
48	S	48.2	Very low	51.6	Low	44 Å²	44	71.1 Å²	71.1	31%	0.308	40%	0.401	S	S	.	.			trans	-82.8	151.1	164.4	78.9	0	0	0	0	109.2	N46 G50 D52	N46-S48 PolarHBondContact O-N 3.42Å; S48-G50 PolarHBondContact O-N 2.83Å; S48-D52 PolarHBondContact OG-O 2.84Å
49	D	54.1	Low	53	Low	189 Å²	189	64 Å²	64	100%	1.011	36%	0.364	S	S	*	.	S	Bend	trans	-65.4	20.2	-178.4	-81.8	-35	0	0	0	114.6
50	G	52.7	Low	53.8	Low	51 Å²	51	61.9 Å²	61.9	53%	0.526	35%	0.346	S	S	.	.	S	Bend	trans	-121.9	-179.3	177.4	0	0	0	0	0	113.2	S48 D52	S48-G50 PolarHBondContact O-N 2.83Å; G50-D52 PolarHBondContact O-N 3.23Å
51	D	53.9	Low	54.4	Low	138 Å²	138	60.6 Å²	60.6	74%	0.738	33%	0.334	S	S	*	.	S	Bend	trans	-68.2	4	176.1	-74.3	-29.7	0	0	0	113.7	S453	D51-S453 WeakPolarHBondContact O-CB 3.29Å; D51-S453 PolarHBondContact O-N 2.8Å; D51-S453 PolarHBondContact O-OG 3.45Å
52	D	47.8	Very low	54.5	Low	74 Å²	74	57.1 Å²	57.1	40%	0.396	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140	-176	-67	-30.2	0	0	0	111.5	S48 G50 M451	S48-D52 PolarHBondContact OG-O 2.84Å; G50-D52 PolarHBondContact O-N 3.23Å; D52-M451 WeakPolarHBondContact CA-O 3.45Å
53	V	55.9	Low	54.5	Low	6 Å²	6	57.3 Å²	57.3	4%	0.036	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.6	175.4	179.7	0	0	0	0	109.1	L45 V55 K450 M451 L456	L45-V53 HydrophobicContact CD2-CG1 3.67Å; V53-V55 HydrophobicContact CG1-CG2 4.46Å; V53-K450 WeakPolarHBondContact O-CA 3.14Å; V53-M451 PolarHBondContact N-O 3.2Å; V53-M451 PolarHBondContact O-N 3.06Å; V53-L456 HydrophobicContact CB-CD1 4.14Å; V53-L456 HydrophobicContact CG1-CD1 3.71Å; V53-L456 HydrophobicContact CG2-CB 3.99Å; V53-L456 HydrophobicContact CG2-CD1 3.54Å; V53-L456 HydrophobicContact CG2-CD2 3.82Å; V53-L456 HydrophobicContact CG2-CG 3.94Å
54	E	54.6	Low	54.7	Low	53 Å²	53	57.5 Å²	57.5	25%	0.248	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.5	172.3	-81.2	-176.4	-174.8	0	0	110.1	N46 L449 K450	N46-E54 HydrophobicContact CB-CB 4.41Å; N46-E54 PolarHBondContact N-O 3.43Å; N46-E54 PolarHBondContact O-N 2.86Å; N46-E54 VanDerWaalsContact O-N 3.13Å; E54-L449 CarbonylContact C-O 3.59Å; E54-L449 WeakPolarHBondContact CA-O 3.3Å; E54-K450 HydrophobicContact CG-CD 4.47Å; E54-K450 HydrophobicContact CG-CG 3.75Å; E54-K450 WeakPolarHBondContact OE1-CE 3.38Å; E54-K450 IonicContact OE1-NZ 3.16Å; E54-K450 PolarHBondContact OE1-NZ 3.43Å
55	V	59.9	Low	54.7	Low	3 Å²	3	56.4 Å²	56.4	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	110.4	177.4	-177.2	0	0	0	0	107.9	L43 L45 V53 I57 S448 L449 L459	L43-V55 HydrophobicContact CD2-CG1 3.31Å; L45-V55 HydrophobicContact CD2-CG2 3.87Å; V53-V55 HydrophobicContact CG1-CG2 4.46Å; V55-I57 HydrophobicContact CG1-CG1 4.46Å; V55-S448 CarbonylContact O-C 3.17Å; V55-S448 WeakPolarHBondContact O-CA 3.45Å; V55-L449 HydrophobicContact CB-CB 4.23Å; V55-L449 PolarHBondContact N-O 3.08Å; V55-L449 PolarHBondContact O-N 2.84Å; V55-L459 HydrophobicContact CB-CD2 4.18Å; V55-L459 HydrophobicContact CG1-CD2 3.69Å; V55-L459 HydrophobicContact CG2-CD2 3.4Å
56	E	59.8	Low	54.9	Low	66 Å²	66	58 Å²	58	31%	0.308	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	122.6	175.3	-85.1	176.4	176.9	0	0	110.1	L43 T44 V446 V447	L43-E56 WeakPolarHBondContact CA-O 3.25Å; T44-E56 PolarHBondContact N-O 3.15Å; T44-E56 PolarHBondContact O-N 2.79Å; T44-E56 WeakPolarHBondContact OG1-CB 3.13Å; T44-E56 PolarHBondContact OG1-OE2 3.46Å; E56-V446 HydrophobicContact CB-CG1 4.1Å; E56-V446 HydrophobicContact CG-CG1 4.06Å; E56-V447 CarbonylContact C-O 3.6Å; E56-V447 WeakPolarHBondContact CA-O 3.48Å
57	I	59.3	Low	55.5	Low	1 Å²	1	55.4 Å²	55.4	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	113.8	174.2	-60.2	175.3	0	0	0	107.6	L43 V55 L59 L62 V376 V380 V446 V447 L449 L472	L43-I57 HydrophobicContact CD2-CD1 4.15Å; L43-I57 HydrophobicContact CD2-CG1 3.52Å; L43-I57 HydrophobicContact CG-CG1 4.38Å; V55-I57 HydrophobicContact CG1-CG1 4.46Å; I57-L59 HydrophobicContact CG2-CD2 4.24Å; I57-L59 PolarHBondContact O-N 3Å; I57-L59 VanDerWaalsContact O-N 3.14Å; I57-L62 HydrophobicContact CG2-CD1 3.56Å; I57-V376 HydrophobicContact CD1-CG1 3.7Å; I57-V380 HydrophobicContact CD1-CG2 4.42Å; I57-V446 WeakPolarHBondContact O-CA 3.26Å; I57-V447 PolarHBondContact N-O 3Å; I57-V447 PolarHBondContact O-N 3.42Å; I57-L449 HydrophobicContact CD1-CD1 3.5Å; I57-L449 VanDerWaalsContact CD1-CD1 3.5Å; I57-L449 HydrophobicContact CD1-CG 4.46Å; I57-L449 HydrophobicContact CG1-CD1 4.35Å; I57-L472 HydrophobicContact CD1-CD1 4.12Å; I57-L472 HydrophobicContact CG2-CD1 4.26Å
58	D	58.4	Low	56.3	Low	36 Å²	36	52.8 Å²	52.8	19%	0.193	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	97.1	171	-174.6	-9.7	0	0	0	109.6	I42 E60 K61	I42-D58 PolarHBondContact O-N 2.99Å; I42-D58 VanDerWaalsContact O-N 3.09Å; D58-E60 VanDerWaalsContact C-N 3.25Å; D58-E60 PolarHBondContact O-N 3.35Å; D58-E60 VanDerWaalsContact OD1-CB 3.28Å; D58-E60 WeakPolarHBondContact OD1-CB 3.5Å; D58-E60 PolarHBondContact OD1-N 3.13Å; D58-K61 HydrophobicContact CB-CD 4.35Å; D58-K61 PolarHBondContact O-N 3.16Å; D58-K61 PolarHBondContact OD1-N 3.15Å; D58-K61 WeakPolarHBondContact OD2-CD 3.33Å; D58-K61 VanDerWaalsContact OD2-CE 3.32Å; D58-K61 WeakPolarHBondContact OD2-CE 3.35Å; D58-K61 WeakPolarHBondContact OD2-CG 3.3Å; D58-K61 IonicContact OD2-NZ 3.67Å
59	L	57.5	Low	57.4	Low	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21	177.6	-68.4	171.4	0	0	0	112.4	I57 K61 L62 S63 V370 S445 V447	I57-L59 HydrophobicContact CG2-CD2 4.24Å; I57-L59 PolarHBondContact O-N 3Å; I57-L59 VanDerWaalsContact O-N 3.14Å; L59-K61 VanDerWaalsContact C-N 3.34Å; L59-L62 HydrophobicContact CD2-CD1 4.25Å; L59-L62 PolarHBondContact O-N 3.5Å; L59-S63 PolarHBondContact O-N 3.49Å; L59-V370 HydrophobicContact CB-CB 4.19Å; L59-V370 HydrophobicContact CB-CG1 4.47Å; L59-V370 HydrophobicContact CB-CG2 4.44Å; L59-V370 HydrophobicContact CD1-CB 4.38Å; L59-S445 WeakPolarHBondContact CA-O 3.48Å; L59-S445 WeakPolarHBondContact CB-O 3.24Å; L59-S445 PolarHBondContact N-O 3.01Å; L59-V447 HydrophobicContact CD1-CB 4.36Å; L59-V447 HydrophobicContact CD1-CG2 3.45Å; L59-V447 VanDerWaalsContact CD1-CG2 3.45Å; L59-V447 HydrophobicContact CG-CG2 4.26Å
60	E	49.9	Very low	58.6	Low	76 Å²	76	43.9 Å²	43.9	36%	0.355	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-40.6	175.7	-99.5	175.6	-163.3	0	0	111	D58 L62 S63 S445	D58-E60 VanDerWaalsContact C-N 3.25Å; D58-E60 PolarHBondContact O-N 3.35Å; D58-E60 VanDerWaalsContact OD1-CB 3.28Å; D58-E60 WeakPolarHBondContact OD1-CB 3.5Å; D58-E60 PolarHBondContact OD1-N 3.13Å; E60-L62 VanDerWaalsContact C-N 3.26Å; E60-L62 PolarHBondContact O-N 2.87Å; E60-S63 WeakPolarHBondContact O-CB 3.32Å; E60-S63 PolarHBondContact O-N 2.88Å; E60-S63 PolarHBondContact O-OG 2.9Å; E60-S445 VanDerWaalsContact CG-CB 3.44Å; E60-S445 PolarHBondContact N-O 3.29Å; E60-S445 WeakPolarHBondContact OE1-CB 3.37Å
61	K	52.2	Low	60.1	Low	86 Å²	86	44.4 Å²	44.4	37%	0.374	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.4	173.8	-71.5	177.5	-175.5	168.5	0	113.7	D40 I42 D58 L59 S63	D40-K61 PolarHBondContact O-NZ 3.22Å; I42-K61 HydrophobicContact CG1-CB 4.27Å; I42-K61 HydrophobicContact CG1-CD 4.29Å; D58-K61 HydrophobicContact CB-CD 4.35Å; D58-K61 PolarHBondContact O-N 3.16Å; D58-K61 PolarHBondContact OD1-N 3.15Å; D58-K61 WeakPolarHBondContact OD2-CD 3.33Å; D58-K61 VanDerWaalsContact OD2-CE 3.32Å; D58-K61 WeakPolarHBondContact OD2-CE 3.35Å; D58-K61 WeakPolarHBondContact OD2-CG 3.3Å; D58-K61 IonicContact OD2-NZ 3.67Å; L59-K61 VanDerWaalsContact C-N 3.34Å; K61-S63 PolarHBondContact O-N 3.46Å
62	L	52.7	Low	61.8	Low	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1	173.8	-88.4	142.1	0	0	0	113.6	I42 I57 L59 E60 V469 L472 Q473 M476	I42-L62 HydrophobicContact CG2-CD1 3.87Å; I42-L62 HydrophobicContact CG2-CG 4.25Å; I57-L62 HydrophobicContact CG2-CD1 3.56Å; L59-L62 HydrophobicContact CD2-CD1 4.25Å; L59-L62 PolarHBondContact O-N 3.5Å; E60-L62 VanDerWaalsContact C-N 3.26Å; E60-L62 PolarHBondContact O-N 2.87Å; L62-V469 HydrophobicContact CD2-CG1 4.15Å; L62-L472 HydrophobicContact CD1-CD1 4.23Å; L62-L472 HydrophobicContact CD2-CB 3.69Å; L62-Q473 HydrophobicContact CD2-CB 3.8Å; L62-Q473 HydrophobicContact CD2-CG 4.36Å; L62-M476 HydrophobicContact CB-SD 4.07Å; L62-M476 WeakPolarHBondContact O-CE 3.32Å
63	S	51.9	Low	63.6	Low	52 Å²	52	39 Å²	39	36%	0.364	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-50.2	143.8	-178.5	54.1	0	0	0	0	113.3	L59 E60 K61	L59-S63 PolarHBondContact O-N 3.49Å; E60-S63 WeakPolarHBondContact O-CB 3.32Å; E60-S63 PolarHBondContact O-N 2.88Å; E60-S63 PolarHBondContact O-OG 2.9Å; K61-S63 PolarHBondContact O-N 3.46Å
64	P	55.8	Low	65.3	Low	22 Å²	22	44.3 Å²	44.3	14%	0.143	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-61.7	141.6	177	27.2	-33.1	0	0	0	109.4	L66	P64-L66 PolarHBondContact O-N 3.25Å
65	P	57.2	Low	67.1	Low	26 Å²	26	45.2 Å²	45.2	17%	0.169	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-57.5	129.7	-179.1	22.5	-32.7	0	0	0	110.5	P67 L252	P65-P67 WeakPolarHBondContact O-CD 3.48Å; P65-L252 HydrophobicContact CG-CB 4.19Å
66	L	61.1	Low	68.6	Low	96 Å²	96	45 Å²	45	50%	0.503	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-57	127.2	171.1	-84.2	150.2	0	0	0	108.9	P64 A504 I507	P64-L66 PolarHBondContact O-N 3.25Å; L66-A504 HydrophobicContact CD2-CB 4.39Å; L66-I507 HydrophobicContact CD2-CD1 4.01Å
67	P	68.4	Low	70.1	Confident	14 Å²	14	42.1 Å²	42.1	9%	0.091	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-60.9	130.7	179.7	-29.2	41.1	0	0	0	110.5	P65 D69 S191 W192 V194	P65-P67 WeakPolarHBondContact O-CD 3.48Å; P67-D69 PolarHBondContact O-N 2.96Å; P67-D69 VanDerWaalsContact O-N 3.11Å; P67-S191 WeakPolarHBondContact CB-O 2.99Å; P67-S191 VanDerWaalsContact CG-O 3.28Å; P67-S191 WeakPolarHBondContact CG-O 3.15Å; P67-W192 WeakPolarHBondContact CB-O 3.41Å; P67-V194 HydrophobicContact CB-CG2 3.77Å; P67-V194 HydrophobicContact CG-CG2 3.47Å; P67-V194 VanDerWaalsContact CG-CG2 3.47Å
68	P	70.7	Confident	71.8	Confident	74 Å²	74	47.8 Å²	47.8	48%	0.481	26%	0.256	S	S	.	.			trans	-71.7	-7.7	-171.5	28.2	-35.7	0	0	0	113.9	G70 W192 L252	P68-G70 PolarHBondContact O-N 3.5Å; P68-W192 HydrophobicContact CG-CE3 3.61Å; P68-W192 HydrophobicContact CG-CZ3 3.83Å; P68-L252 HydrophobicContact CG-CD2 4.37Å
69	D	71.2	Confident	73.6	Confident	34 Å²	34	46 Å²	46	18%	0.182	25%	0.247	C	C	.	.	S	Bend	trans	51.1	28.7	-176.1	-83.8	-40.2	0	0	0	113.2	P67 W192 F193 V194 R195	P67-D69 PolarHBondContact O-N 2.96Å; P67-D69 VanDerWaalsContact O-N 3.11Å; D69-W192 PolarHBondContact N-O 2.65Å; D69-F193 VanDerWaalsContact C-CE1 3.47Å; D69-F193 WeakPolarHBondContact OD1-CA 3.12Å; D69-V194 PolarHBondContact OD1-N 3.35Å; D69-R195 PolarHBondContact OD1-N 2.77Å; D69-R195 VanDerWaalsContact OD1-N 3.16Å; D69-R195 VanDerWaalsContact OD2-CB 3.3Å; D69-R195 WeakPolarHBondContact OD2-CB 3.47Å; D69-R195 VanDerWaalsContact OD2-CG 3.29Å; D69-R195 WeakPolarHBondContact OD2-CG 3.41Å; D69-R195 PolarHBondContact OD2-N 3.41Å
70	G	79.7	Confident	75.4	Confident	12 Å²	12	46 Å²	46	12%	0.124	25%	0.247	C	C	.	.	S	Bend	trans	174.6	-159.6	-174.2	0	0	0	0	0	114.8	P68 W72 G73	P68-G70 PolarHBondContact O-N 3.5Å; G70-W72 PolarHBondContact O-N 2.94Å; G70-G73 PolarHBondContact O-N 2.95Å
71	G	85.3	Confident	77.6	Confident	63 Å²	63	44.7 Å²	44.7	65%	0.649	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	-130	179.8	0	0	0	0	0	113.2	G73 W74	G71-G73 PolarHBondContact O-N 3.48Å; G71-G73 VanDerWaalsContact O-N 3.09Å; G71-W74 PolarHBondContact O-N 3.49Å; G71-W74 VanDerWaalsContact O-N 3.13Å
72	W	88.3	Confident	79.7	Confident	99 Å²	99	42.8 Å²	42.8	38%	0.375	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.2	177.3	-168.5	-84.2	0	0	0	113.1	G70 W74 L75 I76 W192 L248	G70-W72 PolarHBondContact O-N 2.94Å; W72-W74 PolarHBondContact O-N 2.61Å; W72-L75 HydrophobicContact CD2-CD1 3.77Å; W72-L75 HydrophobicContact CE3-CD1 3.53Å; W72-L75 HydrophobicContact CH2-CD1 3.77Å; W72-L75 HydrophobicContact CZ2-CD1 4Å; W72-L75 HydrophobicContact CZ3-CD1 3.52Å; W72-L75 WeakPolarHBondContact O-CB 3.25Å; W72-L75 PolarHBondContact O-N 2.75Å; W72-I76 PolarHBondContact O-N 2.96Å; W72-W192 HydrophobicContact CB-CH2 3.68Å; W72-W192 HydrophobicContact CB-CZ3 3.72Å; W72-W192 AromaticContact CD1-CH2 3.98Å; W72-W192 HydrophobicContact CG-CH2 4.14Å; W72-L248 HydrophobicContact CZ2-CD2 4.18Å; W72-L248 PolarHBondContact NE1-O 3.15Å
73	G	86.8	Confident	81.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-51.3	-38.5	172.3	0	0	0	0	0	112.3	G70 G71 L75 I76 V77 W192	G70-G73 PolarHBondContact O-N 2.95Å; G71-G73 PolarHBondContact O-N 3.48Å; G71-G73 VanDerWaalsContact O-N 3.09Å; G73-L75 VanDerWaalsContact C-N 3.34Å; G73-L75 PolarHBondContact O-N 2.74Å; G73-I76 WeakPolarHBondContact O-CA 3.33Å; G73-I76 WeakPolarHBondContact O-CB 3.41Å; G73-I76 PolarHBondContact O-N 3.16Å; G73-I76 VanDerWaalsContact O-N 3.08Å; G73-V77 WeakPolarHBondContact O-CG2 3.39Å; G73-V77 PolarHBondContact O-N 3.47Å; G73-W192 VanDerWaalsContact CA-CE3 3.46Å; G73-W192 VanDerWaalsContact N-CE3 3.27Å
74	W	91.2	Very high	83.8	Confident	116 Å²	116	40.4 Å²	40.4	44%	0.439	22%	0.217	S	C	.	.	H	α-helix	trans	-66.7	-30.7	178	-72	111.9	0	0	0	114	G71 W72 I76 V77 F78 F193 V200 I203	G71-W74 PolarHBondContact O-N 3.49Å; G71-W74 VanDerWaalsContact O-N 3.13Å; W72-W74 PolarHBondContact O-N 2.61Å; W74-I76 VanDerWaalsContact C-N 3.31Å; W74-V77 HydrophobicContact CE3-CB 4.27Å; W74-V77 HydrophobicContact CE3-CG1 4.44Å; W74-V77 HydrophobicContact CE3-CG2 4.09Å; W74-V77 HydrophobicContact CZ3-CG2 4.5Å; W74-V77 WeakPolarHBondContact O-CB 3.39Å; W74-V77 PolarHBondContact O-N 3.4Å; W74-F78 PolarHBondContact O-N 2.97Å; W74-F193 HydrophobicContact CD2-CZ 4.18Å; W74-F193 HydrophobicContact CG-CZ 4.41Å; W74-F193 HydrophobicContact CZ2-CE1 4.36Å; W74-V200 HydrophobicContact CH2-CG2 4.34Å; W74-V200 HydrophobicContact CZ3-CG2 4.42Å; W74-I203 HydrophobicContact CZ3-CD1 4.16Å
75	L	92.3	Very high	85.8	Confident	72 Å²	72	40 Å²	40	38%	0.377	21%	0.214	S	C	.	.	H	α-helix	trans	-70.3	-32.7	172.1	-68.3	175.3	0	0	0	111.4	W72 G73 F78 G79	W72-L75 HydrophobicContact CD2-CD1 3.77Å; W72-L75 HydrophobicContact CE3-CD1 3.53Å; W72-L75 HydrophobicContact CH2-CD1 3.77Å; W72-L75 HydrophobicContact CZ2-CD1 4Å; W72-L75 HydrophobicContact CZ3-CD1 3.52Å; W72-L75 WeakPolarHBondContact O-CB 3.25Å; W72-L75 PolarHBondContact O-N 2.75Å; G73-L75 VanDerWaalsContact C-N 3.34Å; G73-L75 PolarHBondContact O-N 2.74Å; L75-F78 PolarHBondContact O-N 2.82Å; L75-G79 PolarHBondContact O-N 3.28Å
76	I	91.1	Very high	87.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.8	-39.7	172.7	-66.1	173.4	0	0	0	110.7	W72 G73 W74 F78 G79 S80 V188 W192 L248 F249	W72-I76 PolarHBondContact O-N 2.96Å; G73-I76 WeakPolarHBondContact O-CA 3.33Å; G73-I76 WeakPolarHBondContact O-CB 3.41Å; G73-I76 PolarHBondContact O-N 3.16Å; G73-I76 VanDerWaalsContact O-N 3.08Å; W74-I76 VanDerWaalsContact C-N 3.31Å; I76-F78 VanDerWaalsContact C-N 3.34Å; I76-G79 PolarHBondContact O-N 3.19Å; I76-S80 VanDerWaalsContact O-CB 3.28Å; I76-S80 WeakPolarHBondContact O-CB 3.47Å; I76-S80 PolarHBondContact O-N 2.89Å; I76-S80 PolarHBondContact O-OG 3.16Å; I76-V188 HydrophobicContact CG2-CB 4.46Å; I76-V188 HydrophobicContact CG2-CG1 3.57Å; I76-V188 HydrophobicContact CG2-CG2 4.16Å; I76-W192 VanDerWaalsContact CD1-CD1 3.43Å; I76-W192 HydrophobicContact CD1-CD2 3.74Å; I76-W192 HydrophobicContact CD1-CG 3.88Å; I76-W192 HydrophobicContact CD1-CZ2 3.71Å; I76-L248 WeakPolarHBondContact CG1-O 3.08Å; I76-F249 HydrophobicContact CG1-CD1 4.46Å; I76-F249 HydrophobicContact CG2-CD1 4.04Å; I76-F249 HydrophobicContact CG2-CE1 4.28Å
77	V	91.8	Very high	89.3	Confident	5 Å²	5	34.7 Å²	34.7	3%	0.03	19%	0.185	C	C	.	.	H	α-helix	trans	-57.4	-49.2	171.1	-179.9	0	0	0	0	110.2	G73 W74 S80 F81 V189 F193 V200 I203 I204	G73-V77 WeakPolarHBondContact O-CG2 3.39Å; G73-V77 PolarHBondContact O-N 3.47Å; W74-V77 HydrophobicContact CE3-CB 4.27Å; W74-V77 HydrophobicContact CE3-CG1 4.44Å; W74-V77 HydrophobicContact CE3-CG2 4.09Å; W74-V77 HydrophobicContact CZ3-CG2 4.5Å; W74-V77 WeakPolarHBondContact O-CB 3.39Å; W74-V77 PolarHBondContact O-N 3.4Å; V77-S80 PolarHBondContact O-N 2.83Å; V77-F81 VanDerWaalsContact O-CB 3.24Å; V77-F81 WeakPolarHBondContact O-CB 3.35Å; V77-F81 PolarHBondContact O-N 3.4Å; V77-V189 HydrophobicContact CG2-CG2 3.89Å; V77-F193 HydrophobicContact CG2-CD2 4.37Å; V77-F193 HydrophobicContact CG2-CE2 3.56Å; V77-F193 HydrophobicContact CG2-CZ 4.02Å; V77-V200 HydrophobicContact CB-CG1 4.44Å; V77-V200 HydrophobicContact CG1-CG1 4.25Å; V77-V200 HydrophobicContact CG2-CB 4.5Å; V77-V200 HydrophobicContact CG2-CG1 3.38Å; V77-V200 HydrophobicContact CG2-CG2 4.39Å; V77-I203 HydrophobicContact CG1-CB 4.43Å; V77-I203 HydrophobicContact CG1-CG2 3.87Å; V77-I204 HydrophobicContact CG1-CD1 4.4Å; V77-I204 HydrophobicContact CG1-CG1 3.97Å
78	F	95.2	Very high	90.5	Very high	119 Å²	119	34.3 Å²	34.3	52%	0.522	18%	0.182	S	C	.	.	H	α-helix	trans	-60.7	-46.2	178.5	176.1	-103.2	0	0	0	112.6	W74 L75 I76 S80 F81 L82 L248	W74-F78 PolarHBondContact O-N 2.97Å; L75-F78 PolarHBondContact O-N 2.82Å; I76-F78 VanDerWaalsContact C-N 3.34Å; F78-S80 PolarHBondContact O-N 2.94Å; F78-F81 WeakPolarHBondContact O-CB 3.21Å; F78-F81 PolarHBondContact O-N 3.08Å; F78-L82 WeakPolarHBondContact O-CB 3.47Å; F78-L82 PolarHBondContact O-N 2.72Å; F78-L248 HydrophobicContact CD1-CD1 4.29Å
79	G	95.9	Very high	91.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.6	-43.7	176	0	0	0	0	0	112.3	L75 I76 L82 C83 A245	L75-G79 PolarHBondContact O-N 3.28Å; I76-G79 PolarHBondContact O-N 3.19Å; G79-L82 PolarHBondContact O-N 2.85Å; G79-C83 PolarHBondContact O-N 3.23Å; G79-C83 PolarHBondContact O-SG 3.5Å; G79-A245 WeakPolarHBondContact O-CB 3.16Å
80	S	94.7	Very high	92.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66	-41.9	179.2	-55.7	0	0	0	0	111.5	I76 V77 F78 C83 M84 A185 F249	I76-S80 VanDerWaalsContact O-CB 3.28Å; I76-S80 WeakPolarHBondContact O-CB 3.47Å; I76-S80 PolarHBondContact O-N 2.89Å; I76-S80 PolarHBondContact O-OG 3.16Å; V77-S80 PolarHBondContact O-N 2.83Å; F78-S80 PolarHBondContact O-N 2.94Å; S80-C83 WeakPolarHBondContact O-CB 3.42Å; S80-C83 PolarHBondContact O-N 3.39Å; S80-M84 WeakPolarHBondContact O-CG 3.39Å; S80-M84 PolarHBondContact O-N 2.88Å; S80-A185 VanDerWaalsContact CB-O 3.29Å; S80-A185 WeakPolarHBondContact CB-O 3.5Å; S80-A185 PolarHBondContact OG-O 2.94Å; S80-A185 VanDerWaalsContact OG-O 3.07Å; S80-F249 WeakPolarHBondContact OG-CE1 3.12Å; S80-F249 WeakPolarHBondContact OG-CZ 2.98Å
81	F	95.4	Very high	93.4	Very high	47 Å²	47	28.9 Å²	28.9	21%	0.206	15%	0.146	C	C	.	.	H	α-helix	trans	-58	-46	172	173.6	-91.3	0	0	0	111.7	V77 F78 C83 M84 V85 I203 I210	V77-F81 VanDerWaalsContact O-CB 3.24Å; V77-F81 WeakPolarHBondContact O-CB 3.35Å; V77-F81 PolarHBondContact O-N 3.4Å; F78-F81 WeakPolarHBondContact O-CB 3.21Å; F78-F81 PolarHBondContact O-N 3.08Å; F81-C83 PolarHBondContact O-N 2.9Å; F81-M84 WeakPolarHBondContact O-CB 3.44Å; F81-M84 PolarHBondContact O-N 3.47Å; F81-M84 VanDerWaalsContact O-N 3.16Å; F81-V85 HydrophobicContact CD1-CG2 4.08Å; F81-V85 HydrophobicContact CE1-CG2 3.68Å; F81-V85 HydrophobicContact CE2-CG2 4.47Å; F81-V85 HydrophobicContact CZ-CG2 3.91Å; F81-V85 WeakPolarHBondContact O-CG2 3.45Å; F81-V85 PolarHBondContact O-N 3.44Å; F81-I203 VanDerWaalsContact CD2-O 3.25Å; F81-I203 WeakPolarHBondContact CD2-O 3.25Å; F81-I210 HydrophobicContact CE2-CD1 3.98Å; F81-I210 HydrophobicContact CZ-CD1 3.59Å
82	L	96.9	Very high	93.6	Very high	47 Å²	47	26.5 Å²	26.5	25%	0.246	12%	0.118	C	C	.	.	H	α-helix	trans	-62.6	-42.6	177.6	-178.6	59.6	0	0	0	111.8	F78 G79 M84 V85 L86 H241 A245	F78-L82 WeakPolarHBondContact O-CB 3.47Å; F78-L82 PolarHBondContact O-N 2.72Å; G79-L82 PolarHBondContact O-N 2.85Å; L82-M84 VanDerWaalsContact C-N 3.31Å; L82-M84 PolarHBondContact O-N 2.86Å; L82-V85 PolarHBondContact O-N 2.89Å; L82-L86 HydrophobicContact CD1-CD1 4.23Å; L82-L86 HydrophobicContact CD1-CG 4.29Å; L82-L86 HydrophobicContact CG-CD1 4.28Å; L82-L86 WeakPolarHBondContact O-CG 3.39Å; L82-L86 PolarHBondContact O-N 2.66Å; L82-L86 VanDerWaalsContact O-N 3.08Å; L82-H241 HydrophobicContact CD2-CB 4.47Å; L82-A245 HydrophobicContact CD2-CB 4.32Å
83	C	97.5	Very high	93.8	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.007	10%	0.1	C	C	.	.	H	α-helix	trans	-57.7	-43.9	172.6	-71.9	0	0	0	0	111.6	G79 S80 F81 L86 V87 I181 A185 A245	G79-C83 PolarHBondContact O-N 3.23Å; G79-C83 PolarHBondContact O-SG 3.5Å; S80-C83 WeakPolarHBondContact O-CB 3.42Å; S80-C83 PolarHBondContact O-N 3.39Å; F81-C83 PolarHBondContact O-N 2.9Å; C83-L86 PolarHBondContact O-N 3.33Å; C83-V87 WeakPolarHBondContact O-CB 3.38Å; C83-V87 WeakPolarHBondContact O-CG2 3.44Å; C83-V87 PolarHBondContact O-N 2.88Å; C83-I181 HydrophobicContact CB-CG2 3.87Å; C83-A185 HydrophobicContact CB-CB 3.83Å; C83-A245 VanDerWaalsContact SG-CB 3.58Å
84	M	94.1	Very high	94.1	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-64	-42.3	177.2	-68.3	-61.2	166.2	0	0	112.4	S80 F81 L82 L86 D88 Y182 A185 A186 I204 M205	S80-M84 WeakPolarHBondContact O-CG 3.39Å; S80-M84 PolarHBondContact O-N 2.88Å; F81-M84 WeakPolarHBondContact O-CB 3.44Å; F81-M84 PolarHBondContact O-N 3.47Å; F81-M84 VanDerWaalsContact O-N 3.16Å; L82-M84 VanDerWaalsContact C-N 3.31Å; L82-M84 PolarHBondContact O-N 2.86Å; M84-L86 VanDerWaalsContact C-N 3.29Å; M84-L86 PolarHBondContact O-N 2.6Å; M84-D88 WeakPolarHBondContact O-CB 3.28Å; M84-D88 PolarHBondContact O-N 2.65Å; M84-D88 VanDerWaalsContact O-N 3.1Å; M84-Y182 HydrophobicContact CE-CD2 3.63Å; M84-Y182 HydrophobicContact CE-CE2 3.57Å; M84-Y182 HydrophobicContact CE-CG 4.23Å; M84-Y182 HydrophobicContact SD-CD2 3.46Å; M84-Y182 WeakPolarHBondContact SD-CD2 3.16Å; M84-Y182 HydrophobicContact SD-CE2 3.35Å; M84-Y182 WeakPolarHBondContact SD-CE2 3.36Å; M84-A185 HydrophobicContact CE-CB 4.42Å; M84-A186 HydrophobicContact CE-CB 3.7Å; M84-I204 WeakPolarHBondContact CB-O 3.35Å; M84-I204 HydrophobicContact CE-CG2 4.15Å; M84-I204 HydrophobicContact CG-CG2 3.53Å; M84-M205 HydrophobicContact CE-CE 4Å
85	V	96.5	Very high	94.1	Very high	14 Å²	14	16.4 Å²	16.4	9%	0.085	8%	0.08	C	C	.	.	H	α-helix	trans	-57.4	-44.1	175.6	169.9	0	0	0	0	111.1	F81 L82 G89 G207 I210 G211	F81-V85 HydrophobicContact CD1-CG2 4.08Å; F81-V85 HydrophobicContact CE1-CG2 3.68Å; F81-V85 HydrophobicContact CE2-CG2 4.47Å; F81-V85 HydrophobicContact CZ-CG2 3.91Å; F81-V85 WeakPolarHBondContact O-CG2 3.45Å; F81-V85 PolarHBondContact O-N 3.44Å; L82-V85 PolarHBondContact O-N 2.89Å; V85-G89 WeakPolarHBondContact O-CA 3.19Å; V85-G89 PolarHBondContact O-N 3.1Å; V85-G207 WeakPolarHBondContact CA-O 3.32Å; V85-G207 VanDerWaalsContact CG2-O 3.3Å; V85-G207 WeakPolarHBondContact CG2-O 3.46Å; V85-I210 HydrophobicContact CG2-CB 4.45Å; V85-I210 HydrophobicContact CG2-CG2 4.38Å; V85-G211 VanDerWaalsContact O-CA 3.24Å; V85-G211 WeakPolarHBondContact O-CA 3.48Å
86	L	96.6	Very high	94.1	Very high	11 Å²	11	13 Å²	13	6%	0.058	6%	0.062	C	C	.	.	H	α-helix	trans	-78.2	-49.4	-174.4	-65.9	-179.9	0	0	0	112.8	L82 C83 M84 M90 Y215 V238 H241	L82-L86 HydrophobicContact CD1-CD1 4.23Å; L82-L86 HydrophobicContact CD1-CG 4.29Å; L82-L86 HydrophobicContact CG-CD1 4.28Å; L82-L86 WeakPolarHBondContact O-CG 3.39Å; L82-L86 PolarHBondContact O-N 2.66Å; L82-L86 VanDerWaalsContact O-N 3.08Å; C83-L86 PolarHBondContact O-N 3.33Å; M84-L86 VanDerWaalsContact C-N 3.29Å; M84-L86 PolarHBondContact O-N 2.6Å; L86-M90 WeakPolarHBondContact O-CB 3.4Å; L86-M90 PolarHBondContact O-N 2.8Å; L86-Y215 HydrophobicContact CD2-CE2 4.43Å; L86-Y215 PolarHBondContact O-OH 3.03Å; L86-V238 HydrophobicContact CD2-CG1 3.58Å; L86-H241 HydrophobicContact CD1-CB 3.94Å
87	V	96.6	Very high	94.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-68.3	-56.9	-176.9	172.5	0	0	0	0	110.8	C83 G89 M90 C91 Y178 I181	C83-V87 WeakPolarHBondContact O-CB 3.38Å; C83-V87 WeakPolarHBondContact O-CG2 3.44Å; C83-V87 PolarHBondContact O-N 2.88Å; V87-G89 VanDerWaalsContact C-N 3.31Å; V87-G89 PolarHBondContact O-N 3.05Å; V87-M90 PolarHBondContact O-N 2.66Å; V87-C91 PolarHBondContact O-N 3.37Å; V87-C91 VanDerWaalsContact O-N 3.15Å; V87-Y178 HydrophobicContact CB-CD2 4.48Å; V87-Y178 HydrophobicContact CG1-CD2 3.75Å; V87-Y178 HydrophobicContact CG1-CE2 4.34Å; V87-Y178 HydrophobicContact CG1-CG 3.89Å; V87-Y178 HydrophobicContact CG2-CD1 4.22Å; V87-Y178 HydrophobicContact CG2-CE1 4.42Å; V87-Y178 HydrophobicContact CG2-CG 4.3Å; V87-I181 HydrophobicContact CG2-CB 4.08Å; V87-I181 HydrophobicContact CG2-CD1 4.31Å; V87-I181 HydrophobicContact CG2-CG2 3.69Å
88	D	93.4	Very high	94.1	Very high	5 Å²	5	12.9 Å²	12.9	3%	0.027	6%	0.061	C	C	.	.	H	α-helix	trans	-69.4	-33.4	-178	-70.2	1	0	0	0	111	M84 M90 C91 F92 S208	M84-D88 WeakPolarHBondContact O-CB 3.28Å; M84-D88 PolarHBondContact O-N 2.65Å; M84-D88 VanDerWaalsContact O-N 3.1Å; D88-M90 PolarHBondContact O-N 3.42Å; D88-C91 PolarHBondContact O-N 2.94Å; D88-F92 HydrophobicContact CB-CD2 4.33Å; D88-F92 HydrophobicContact CB-CE2 4Å; D88-F92 HydrophobicContact CB-CZ 4.3Å; D88-F92 WeakPolarHBondContact O-CB 3.47Å; D88-F92 VanDerWaalsContact O-CG 3.31Å; D88-F92 WeakPolarHBondContact O-CG 3.3Å; D88-F92 PolarHBondContact O-N 2.83Å; D88-S208 WeakPolarHBondContact OD2-CB 3.25Å; D88-S208 PolarHBondContact OD2-OG 3.4Å
89	G	94.3	Very high	93.8	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-57.5	-46.3	175.4	0	0	0	0	0	112.6	V85 V87 S93	V85-G89 WeakPolarHBondContact O-CA 3.19Å; V85-G89 PolarHBondContact O-N 3.1Å; V87-G89 VanDerWaalsContact C-N 3.31Å; V87-G89 PolarHBondContact O-N 3.05Å; G89-S93 WeakPolarHBondContact O-CB 3.36Å; G89-S93 PolarHBondContact O-N 3.17Å; G89-S93 VanDerWaalsContact O-N 3.12Å; G89-S93 PolarHBondContact O-OG 2.97Å
90	M	93.8	Very high	93.5	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-64.5	-44.9	175.4	-177.4	71.2	-117.7	0	0	111.6	L86 V87 D88 S93 Y94 F97 L119 F170 Y178 Y215 L235	L86-M90 WeakPolarHBondContact O-CB 3.4Å; L86-M90 PolarHBondContact O-N 2.8Å; V87-M90 PolarHBondContact O-N 2.66Å; D88-M90 PolarHBondContact O-N 3.42Å; M90-S93 PolarHBondContact O-N 2.82Å; M90-Y94 PolarHBondContact O-N 3.34Å; M90-F97 HydrophobicContact CE-CD2 4.25Å; M90-F97 HydrophobicContact CE-CE2 3.52Å; M90-F97 HydrophobicContact CE-CZ 4.2Å; M90-L119 HydrophobicContact CG-CD2 4.2Å; M90-F170 HydrophobicContact CE-CZ 3.85Å; M90-Y178 HydrophobicContact CB-CE2 4Å; M90-Y178 HydrophobicContact CG-CE2 4.01Å; M90-Y215 HydrophobicContact CB-CE1 3.87Å; M90-Y215 HydrophobicContact CG-CE1 4.49Å; M90-Y215 HydrophobicContact SD-CE1 3.87Å; M90-L235 HydrophobicContact SD-CD1 3.88Å
91	C	93.7	Very high	93.3	Very high	4 Å²	4	11 Å²	11	3%	0.027	6%	0.057	C	C	.	.	H	α-helix	trans	-62.8	-45.5	179.3	-72.3	0	0	0	0	112.9	V87 D88 S93 T120	V87-C91 PolarHBondContact O-N 3.37Å; V87-C91 VanDerWaalsContact O-N 3.15Å; D88-C91 PolarHBondContact O-N 2.94Å; C91-S93 VanDerWaalsContact C-N 3.27Å; C91-S93 PolarHBondContact O-N 2.88Å; C91-T120 WeakPolarHBondContact CB-OG1 3.32Å; C91-T120 PolarHBondContact SG-OG1 2.95Å
92	F	90.4	Very high	93	Very high	13 Å²	13	11.7 Å²	11.7	6%	0.057	6%	0.062	C	C	.	.	H	α-helix	trans	-72.2	-21.3	179.9	-68	-16.9	0	0	0	113.6	D88 Y555 Y559	D88-F92 HydrophobicContact CB-CD2 4.33Å; D88-F92 HydrophobicContact CB-CE2 4Å; D88-F92 HydrophobicContact CB-CZ 4.3Å; D88-F92 WeakPolarHBondContact O-CB 3.47Å; D88-F92 VanDerWaalsContact O-CG 3.31Å; D88-F92 WeakPolarHBondContact O-CG 3.3Å; D88-F92 PolarHBondContact O-N 2.83Å; F92-Y555 AromaticContact CE1-CE1 3.83Å; F92-Y555 HydrophobicContact CE1-CE1 3.83Å; F92-Y555 AromaticContact CE1-CZ 3.97Å; F92-Y555 VanDerWaalsContact CE1-OH 3.22Å; F92-Y555 WeakPolarHBondContact CE1-OH 3.25Å; F92-Y555 HydrophobicContact CZ-CE1 4.34Å; F92-Y555 WeakPolarHBondContact CZ-OH 3.43Å; F92-Y559 HydrophobicContact CB-CD1 3.56Å; F92-Y559 HydrophobicContact CB-CE1 3.8Å; F92-Y559 HydrophobicContact CB-CG 4.35Å; F92-Y559 HydrophobicContact CD1-CD1 4.11Å; F92-Y559 HydrophobicContact CD1-CE1 4.15Å; F92-Y559 HydrophobicContact CD1-CG 4.26Å; F92-Y559 HydrophobicContact CD2-CD1 4.39Å; F92-Y559 AromaticContact CD2-CE1 3.8Å; F92-Y559 HydrophobicContact CD2-CE1 3.8Å; F92-Y559 HydrophobicContact CE2-CE1 4.44Å; F92-Y559 AromaticContact CG-CD1 3.77Å; F92-Y559 HydrophobicContact CG-CD1 3.77Å; F92-Y559 AromaticContact CG-CE1 3.64Å; F92-Y559 HydrophobicContact CG-CE1 3.64Å; F92-Y559 HydrophobicContact CG-CG 4.38Å
93	S	91.9	Very high	92.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	5.3	-176.5	-52.5	0	0	0	0	113.4	G89 M90 C91 G95 L96 Y215	G89-S93 WeakPolarHBondContact O-CB 3.36Å; G89-S93 PolarHBondContact O-N 3.17Å; G89-S93 VanDerWaalsContact O-N 3.12Å; G89-S93 PolarHBondContact O-OG 2.97Å; M90-S93 PolarHBondContact O-N 2.82Å; C91-S93 VanDerWaalsContact C-N 3.27Å; C91-S93 PolarHBondContact O-N 2.88Å; S93-G95 PolarHBondContact O-N 3.18Å; S93-L96 VanDerWaalsContact O-CB 3.25Å; S93-L96 WeakPolarHBondContact O-CB 3.33Å; S93-L96 VanDerWaalsContact O-CG 3.29Å; S93-L96 WeakPolarHBondContact O-CG 3.34Å; S93-L96 PolarHBondContact O-N 3.5Å; S93-Y215 WeakPolarHBondContact OG-CB 3.48Å
94	Y	92.9	Very high	92.2	Very high	3 Å²	3	19.7 Å²	19.7	1%	0.012	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-58.1	-34.7	177.5	-173.4	-95.6	0	0	0	112.5	M90 L96 F97 L98 M112 G115 G116 F170	M90-Y94 PolarHBondContact O-N 3.34Å; Y94-L96 PolarHBondContact O-N 2.94Å; Y94-F97 PolarHBondContact O-N 3.41Å; Y94-L98 HydrophobicContact CD1-CD2 4.26Å; Y94-L98 HydrophobicContact CE1-CD2 3.78Å; Y94-M112 WeakPolarHBondContact CE1-O 2.73Å; Y94-M112 PolarHBondContact OH-O 2.9Å; Y94-G115 WeakPolarHBondContact OH-CA 3.35Å; Y94-G116 VanDerWaalsContact CD1-CA 3.43Å; Y94-F170 AromaticContact CD2-CE1 3.68Å; Y94-F170 HydrophobicContact CD2-CE1 3.68Å; Y94-F170 HydrophobicContact CD2-CZ 4.12Å; Y94-F170 HydrophobicContact CE2-CD1 4.12Å; Y94-F170 AromaticContact CE2-CE1 3.44Å; Y94-F170 HydrophobicContact CE2-CE1 3.44Å; Y94-F170 VanDerWaalsContact CE2-CE1 3.44Å; Y94-F170 HydrophobicContact CE2-CZ 4.08Å
95	G	91.2	Very high	92	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.01	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-54.9	-23.9	175.1	0	0	0	0	0	113.8	S93 F97 L98	S93-G95 PolarHBondContact O-N 3.18Å; G95-F97 VanDerWaalsContact C-N 3.25Å; G95-F97 PolarHBondContact O-N 2.95Å; G95-L98 PolarHBondContact O-N 2.95Å
96	L	92.8	Very high	91.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-68.4	-24.1	177.9	-56.2	179	0	0	0	113.3	S93 Y94 V219 K563 L580	S93-L96 VanDerWaalsContact O-CB 3.25Å; S93-L96 WeakPolarHBondContact O-CB 3.33Å; S93-L96 VanDerWaalsContact O-CG 3.29Å; S93-L96 WeakPolarHBondContact O-CG 3.34Å; S93-L96 PolarHBondContact O-N 3.5Å; Y94-L96 PolarHBondContact O-N 2.94Å; L96-V219 HydrophobicContact CB-CG1 4.01Å; L96-V219 HydrophobicContact CD1-CB 3.88Å; L96-V219 HydrophobicContact CD1-CG1 4.02Å; L96-K563 HydrophobicContact CD2-CD 3.81Å; L96-K563 HydrophobicContact CD2-CG 4.48Å; L96-K563 PolarHBondContact O-NZ 3.14Å; L96-L580 HydrophobicContact CD2-CD1 3.91Å; L96-L580 HydrophobicContact CD2-CD2 4.2Å
97	F	91.7	Very high	91.2	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-86.9	-19.6	-178.6	-64.7	-84.7	0	0	0	113.1	M90 Y94 G95 S99 E100 L101 V219 I223 W228 C231 I232 L235	M90-F97 HydrophobicContact CE-CD2 4.25Å; M90-F97 HydrophobicContact CE-CE2 3.52Å; M90-F97 HydrophobicContact CE-CZ 4.2Å; Y94-F97 PolarHBondContact O-N 3.41Å; G95-F97 VanDerWaalsContact C-N 3.25Å; G95-F97 PolarHBondContact O-N 2.95Å; F97-S99 PolarHBondContact O-N 3.17Å; F97-E100 PolarHBondContact O-N 3.22Å; F97-L101 HydrophobicContact CB-CD1 3.72Å; F97-L101 HydrophobicContact CB-CG 4.09Å; F97-L101 WeakPolarHBondContact O-CB 3.24Å; F97-L101 WeakPolarHBondContact O-CG 3.26Å; F97-L101 PolarHBondContact O-N 3.32Å; F97-V219 HydrophobicContact CE1-CG1 4Å; F97-V219 HydrophobicContact CE2-CG1 3.92Å; F97-V219 HydrophobicContact CZ-CG1 3.58Å; F97-V219 HydrophobicContact CZ-CG2 4.32Å; F97-I223 HydrophobicContact CD1-CD1 3.79Å; F97-I223 HydrophobicContact CD1-CG1 4.44Å; F97-I223 HydrophobicContact CE1-CD1 3.88Å; F97-I223 HydrophobicContact CE1-CG1 4.2Å; F97-W228 HydrophobicContact CD1-CB 4.17Å; F97-C231 HydrophobicContact CE1-CB 4.26Å; F97-I232 HydrophobicContact CD1-CG1 4.48Å; F97-I232 HydrophobicContact CE1-CG1 3.91Å; F97-I232 HydrophobicContact CZ-CG1 4.3Å; F97-L235 HydrophobicContact CZ-CD1 3.83Å
98	L	91	Very high	91	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-55.4	-46.3	-166.4	-70.2	177.2	0	0	0	113.9	Y94 G95 L101 E102 M112 T113	Y94-L98 HydrophobicContact CD1-CD2 4.26Å; Y94-L98 HydrophobicContact CE1-CD2 3.78Å; G95-L98 PolarHBondContact O-N 2.95Å; L98-L101 PolarHBondContact O-N 3.3Å; L98-E102 VanDerWaalsContact O-CB 3.32Å; L98-E102 WeakPolarHBondContact O-CB 3.42Å; L98-E102 PolarHBondContact O-N 3.38Å; L98-M112 HydrophobicContact CD2-CB 3.85Å; L98-T113 HydrophobicContact CD1-CG2 3.99Å; L98-T113 HydrophobicContact CD2-CG2 3.83Å
99	S	88.4	Confident	90.9	Very high	33 Å²	33	26.3 Å²	26.3	23%	0.231	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-44.7	-178.4	-47.2	0	0	0	0	112.8	F97 L101 E102 E103 D564 Q567	F97-S99 PolarHBondContact O-N 3.17Å; S99-L101 VanDerWaalsContact C-N 3.34Å; S99-E102 PolarHBondContact O-N 2.92Å; S99-E103 PolarHBondContact O-N 3.49Å; S99-D564 PolarHBondContact OG-OD1 3.4Å; S99-Q567 PolarHBondContact OG-OE1 2.89Å
100	E	89.6	Confident	90.8	Very high	45 Å²	45	29.9 Å²	29.9	21%	0.21	17%	0.173	C	C	.	.	H	α-helix	trans	-69.7	-35.9	-179.5	178.5	64.8	-153.7	0	0	111.8	F97 T104 I223 W228	F97-E100 PolarHBondContact O-N 3.22Å; E100-T104 WeakPolarHBondContact O-CB 3.46Å; E100-T104 PolarHBondContact O-N 2.96Å; E100-T104 PolarHBondContact O-OG1 2.9Å; E100-I223 HydrophobicContact CB-CG2 4.5Å; E100-I223 HydrophobicContact CG-CG2 4.03Å; E100-W228 HydrophobicContact CG-CB 3.66Å; E100-W228 VanDerWaalsContact CG-CD1 3.46Å; E100-W228 HydrophobicContact CG-CG 3.85Å
101	L	90	Very high	90.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-65.8	-45.7	173.5	-88.6	-174.8	0	0	0	111	F97 L98 S99 T104 F105 M112 F166 W228	F97-L101 HydrophobicContact CB-CD1 3.72Å; F97-L101 HydrophobicContact CB-CG 4.09Å; F97-L101 WeakPolarHBondContact O-CB 3.24Å; F97-L101 WeakPolarHBondContact O-CG 3.26Å; F97-L101 PolarHBondContact O-N 3.32Å; L98-L101 PolarHBondContact O-N 3.3Å; S99-L101 VanDerWaalsContact C-N 3.34Å; L101-T104 PolarHBondContact O-N 3.16Å; L101-F105 HydrophobicContact CD2-CD2 4.05Å; L101-F105 HydrophobicContact CD2-CE2 3.7Å; L101-F105 WeakPolarHBondContact O-CD2 3.38Å; L101-F105 PolarHBondContact O-N 2.77Å; L101-M112 HydrophobicContact CB-CE 3.34Å; L101-M112 HydrophobicContact CD1-CE 4.2Å; L101-M112 HydrophobicContact CD2-CE 4.02Å; L101-M112 HydrophobicContact CG-CE 4.05Å; L101-M112 WeakPolarHBondContact O-CE 3.4Å; L101-F166 HydrophobicContact CD2-CE1 4.35Å; L101-F166 HydrophobicContact CD2-CZ 4.48Å; L101-W228 HydrophobicContact CD2-CD2 3.97Å; L101-W228 HydrophobicContact CD2-CE3 3.96Å; L101-W228 HydrophobicContact CD2-CH2 4.1Å; L101-W228 HydrophobicContact CD2-CZ2 4.06Å; L101-W228 HydrophobicContact CD2-CZ3 4.06Å
102	E	89.1	Confident	90.7	Very high	63 Å²	63	32.8 Å²	32.8	29%	0.294	19%	0.186	S	C	.	.	H	α-helix	trans	-59.6	-44.5	174.8	-177.2	173.4	176.7	0	0	111.3	L98 S99 G106 K109 M112	L98-E102 VanDerWaalsContact O-CB 3.32Å; L98-E102 WeakPolarHBondContact O-CB 3.42Å; L98-E102 PolarHBondContact O-N 3.38Å; S99-E102 PolarHBondContact O-N 2.92Å; E102-G106 VanDerWaalsContact O-CA 3.27Å; E102-G106 WeakPolarHBondContact O-CA 3.31Å; E102-G106 PolarHBondContact O-N 3.12Å; E102-K109 VanDerWaalsContact OE2-CE 3.23Å; E102-K109 WeakPolarHBondContact OE2-CE 3.47Å; E102-K109 IonicContact OE2-NZ 3.87Å; E102-K109 PolarHBondContact OE2-NZ 3.38Å; E102-M112 HydrophobicContact CB-CG 4.34Å
103	E	88.6	Confident	90.9	Very high	159 Å²	159	32.1 Å²	32.1	74%	0.743	18%	0.183	S	C	*	.	H	α-helix	trans	-63.5	-41.4	176.5	-175.7	172.3	178.3	0	0	112.6	S99	S99-E103 PolarHBondContact O-N 3.49Å
104	T	89.3	Confident	91	Very high	57 Å²	57	34.5 Å²	34.5	35%	0.35	20%	0.196	S	C	.	.	H	α-helix	trans	-71.6	-44.8	-177.8	-61.7	0	0	0	0	113	E100 L101 W228	E100-T104 WeakPolarHBondContact O-CB 3.46Å; E100-T104 PolarHBondContact O-N 2.96Å; E100-T104 PolarHBondContact O-OG1 2.9Å; L101-T104 PolarHBondContact O-N 3.16Å; T104-W228 HydrophobicContact CG2-CZ2 4.01Å; T104-W228 PolarHBondContact OG1-NE1 3.22Å
105	F	89.8	Confident	91	Very high	45 Å²	45	34.4 Å²	34.4	20%	0.197	20%	0.195	C	C	.	.	H	α-helix	trans	-97.6	-14.3	-172.4	-69.6	-78.2	0	0	0	113.3	L101 A107 M112 Y161 L163 W228	L101-F105 HydrophobicContact CD2-CD2 4.05Å; L101-F105 HydrophobicContact CD2-CE2 3.7Å; L101-F105 WeakPolarHBondContact O-CD2 3.38Å; L101-F105 PolarHBondContact O-N 2.77Å; F105-A107 HydrophobicContact CB-CB 4.21Å; F105-A107 PolarHBondContact O-N 3.26Å; F105-M112 HydrophobicContact CB-CE 4.29Å; F105-M112 HydrophobicContact CB-SD 4.48Å; F105-M112 HydrophobicContact CD2-CE 3.71Å; F105-M112 HydrophobicContact CE2-CE 4.48Å; F105-M112 HydrophobicContact CG-CE 4.35Å; F105-Y161 WeakPolarHBondContact CE1-O 3.28Å; F105-L163 HydrophobicContact CB-CD1 4.48Å; F105-L163 HydrophobicContact CB-CD2 4.37Å; F105-L163 HydrophobicContact CD1-CB 3.88Å; F105-L163 HydrophobicContact CD1-CD1 4.3Å; F105-L163 HydrophobicContact CD2-CD1 3.94Å; F105-L163 HydrophobicContact CE1-CB 4.19Å; F105-L163 HydrophobicContact CE2-CD1 4.17Å; F105-L163 HydrophobicContact CG-CB 4.28Å; F105-L163 HydrophobicContact CG-CD1 4Å; F105-L163 HydrophobicContact CZ-CD1 4.44Å; F105-W228 HydrophobicContact CD2-CZ2 4.42Å; F105-W228 AromaticContact CE2-CH2 3.64Å; F105-W228 HydrophobicContact CE2-CH2 3.64Å; F105-W228 AromaticContact CE2-CZ2 3.37Å; F105-W228 HydrophobicContact CE2-CZ2 3.37Å; F105-W228 AromaticContact CZ-CH2 3.75Å; F105-W228 HydrophobicContact CZ-CH2 3.75Å; F105-W228 AromaticContact CZ-CZ2 3.69Å; F105-W228 HydrophobicContact CZ-CZ2 3.69Å
106	G	87.3	Confident	91.1	Very high	69 Å²	69	34.4 Å²	34.4	71%	0.711	20%	0.195	S	C	*	.			trans	60.9	22.1	-175.8	0	0	0	0	0	113.5	E102	E102-G106 VanDerWaalsContact O-CA 3.27Å; E102-G106 WeakPolarHBondContact O-CA 3.31Å; E102-G106 PolarHBondContact O-N 3.12Å
107	A	89.1	Confident	91.2	Very high	16 Å²	16	34.4 Å²	34.4	13%	0.132	20%	0.195	C	C	.	.			trans	-96.7	160.9	-172.6	0	0	0	0	0	112.1	F105 Q111 M112 L163	F105-A107 HydrophobicContact CB-CB 4.21Å; F105-A107 PolarHBondContact O-N 3.26Å; A107-Q111 HydrophobicContact CB-CB 4.22Å; A107-M112 HydrophobicContact CB-SD 3.61Å; A107-L163 HydrophobicContact CB-CD2 3.31Å
108	S	93	Very high	91.5	Very high	34 Å²	34	35.4 Å²	35.4	24%	0.238	20%	0.2	C	C	.	.			trans	-64.1	153.2	-178.7	62.4	0	0	0	0	112.3	M110 Q111 M112 D690	S108-M110 PolarHBondContact O-N 2.79Å; S108-Q111 PolarHBondContact O-N 3.11Å; S108-Q111 VanDerWaalsContact OG-CG 3.31Å; S108-Q111 WeakPolarHBondContact OG-CG 3.48Å; S108-Q111 PolarHBondContact OG-N 2.78Å; S108-Q111 PolarHBondContact OG-OE1 2.92Å; S108-M112 WeakPolarHBondContact O-CG 3.37Å; S108-M112 PolarHBondContact O-N 3.48Å; S108-D690 WeakPolarHBondContact CB-OD2 3.35Å
109	K	90.2	Very high	91.7	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-34.9	178	-172.6	138	-65.8	-160.2	0	111.3	E102 Q111 M112 T113 F561 D564 Y689 D690 F695	E102-K109 VanDerWaalsContact OE2-CE 3.23Å; E102-K109 WeakPolarHBondContact OE2-CE 3.47Å; E102-K109 IonicContact OE2-NZ 3.87Å; E102-K109 PolarHBondContact OE2-NZ 3.38Å; K109-Q111 VanDerWaalsContact C-N 3.33Å; K109-Q111 PolarHBondContact O-N 2.95Å; K109-M112 PolarHBondContact O-N 2.9Å; K109-T113 HydrophobicContact CG-CG2 4.3Å; K109-T113 WeakPolarHBondContact O-CG2 3.47Å; K109-T113 PolarHBondContact O-N 2.79Å; K109-T113 PolarHBondContact O-OG1 3.28Å; K109-F561 HydrophobicContact CD-CE1 4.33Å; K109-F561 HydrophobicContact CG-CE1 4.37Å; K109-D564 IonicContact NZ-OD2 2.84Å; K109-D564 PolarHBondContact NZ-OD2 3.47Å; K109-Y689 HydrophobicContact CB-CD1 3.96Å; K109-Y689 HydrophobicContact CD-CD1 3.64Å; K109-Y689 HydrophobicContact CD-CE1 4.09Å; K109-Y689 HydrophobicContact CD-CG 4.11Å; K109-Y689 HydrophobicContact CG-CD1 4.23Å; K109-D690 WeakPolarHBondContact CB-OD1 3.39Å; K109-D690 VanDerWaalsContact N-CG 3.35Å; K109-D690 PolarHBondContact N-OD1 3.24Å; K109-D690 PolarHBondContact N-OD2 3.17Å; K109-F695 HydrophobicContact CD-CE1 4.31Å; K109-F695 HydrophobicContact CD-CZ 4.43Å
110	M	93.5	Very high	92	Very high	75 Å²	75	34 Å²	34	37%	0.369	19%	0.19	S	C	.	.	H	α-helix	trans	-53	-47.6	169.6	179.6	-172	67.3	0	0	112.6	S108 T113 P683 A687 D690	S108-M110 PolarHBondContact O-N 2.79Å; M110-T113 PolarHBondContact O-OG1 2.92Å; M110-P683 HydrophobicContact CG-CB 4.14Å; M110-P683 WeakPolarHBondContact CG-O 3.06Å; M110-A687 HydrophobicContact CB-CB 4.06Å; M110-A687 HydrophobicContact CG-CB 4.09Å; M110-A687 HydrophobicContact SD-CB 3.94Å; M110-D690 WeakPolarHBondContact CB-OD2 3.44Å; M110-D690 PolarHBondContact N-OD2 3.03Å
111	Q	93.2	Very high	92.2	Very high	65 Å²	65	31.8 Å²	31.8	30%	0.304	18%	0.18	S	C	.	.	H	α-helix	trans	-69.8	-38.9	-179.5	-72.3	169	-61.6	0	0	111.3	A107 S108 K109 T113 L114 L163 I167	A107-Q111 HydrophobicContact CB-CB 4.22Å; S108-Q111 PolarHBondContact O-N 3.11Å; S108-Q111 VanDerWaalsContact OG-CG 3.31Å; S108-Q111 WeakPolarHBondContact OG-CG 3.48Å; S108-Q111 PolarHBondContact OG-N 2.78Å; S108-Q111 PolarHBondContact OG-OE1 2.92Å; K109-Q111 VanDerWaalsContact C-N 3.33Å; K109-Q111 PolarHBondContact O-N 2.95Å; Q111-T113 PolarHBondContact O-N 2.89Å; Q111-L114 WeakPolarHBondContact O-CB 3.34Å; Q111-L114 PolarHBondContact O-N 2.78Å; Q111-L163 HydrophobicContact CB-CD2 3.92Å; Q111-I167 VanDerWaalsContact O-CD1 3.31Å; Q111-I167 WeakPolarHBondContact O-CD1 3.4Å
112	M	92.1	Very high	92.5	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-67.4	-36.4	179.8	-55.5	-33.9	-69.4	0	0	112.3	Y94 L98 L101 E102 F105 A107 S108 K109 L114 L163	Y94-M112 WeakPolarHBondContact CE1-O 2.73Å; Y94-M112 PolarHBondContact OH-O 2.9Å; L98-M112 HydrophobicContact CD2-CB 3.85Å; L101-M112 HydrophobicContact CB-CE 3.34Å; L101-M112 HydrophobicContact CD1-CE 4.2Å; L101-M112 HydrophobicContact CD2-CE 4.02Å; L101-M112 HydrophobicContact CG-CE 4.05Å; L101-M112 WeakPolarHBondContact O-CE 3.4Å; E102-M112 HydrophobicContact CB-CG 4.34Å; F105-M112 HydrophobicContact CB-CE 4.29Å; F105-M112 HydrophobicContact CB-SD 4.48Å; F105-M112 HydrophobicContact CD2-CE 3.71Å; F105-M112 HydrophobicContact CE2-CE 4.48Å; F105-M112 HydrophobicContact CG-CE 4.35Å; A107-M112 HydrophobicContact CB-SD 3.61Å; S108-M112 WeakPolarHBondContact O-CG 3.37Å; S108-M112 PolarHBondContact O-N 3.48Å; K109-M112 PolarHBondContact O-N 2.9Å; M112-L114 PolarHBondContact O-N 3.07Å; M112-L163 HydrophobicContact CE-CD1 3.52Å; M112-L163 HydrophobicContact CE-CD2 4.38Å; M112-L163 HydrophobicContact SD-CD1 3.93Å; M112-L163 HydrophobicContact SD-CD2 3.72Å; M112-L163 HydrophobicContact SD-CG 4.49Å
113	T	94.3	Very high	92.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-73.5	-14.1	179.1	58.2	0	0	0	0	113.7	L98 K109 M110 Q111 G115 S117 F561 P682 P683	L98-T113 HydrophobicContact CD1-CG2 3.99Å; L98-T113 HydrophobicContact CD2-CG2 3.83Å; K109-T113 HydrophobicContact CG-CG2 4.3Å; K109-T113 WeakPolarHBondContact O-CG2 3.47Å; K109-T113 PolarHBondContact O-N 2.79Å; K109-T113 PolarHBondContact O-OG1 3.28Å; M110-T113 PolarHBondContact O-OG1 2.92Å; Q111-T113 PolarHBondContact O-N 2.89Å; T113-G115 VanDerWaalsContact C-N 3.29Å; T113-G115 PolarHBondContact O-N 3.44Å; T113-S117 WeakPolarHBondContact O-CB 3.35Å; T113-S117 PolarHBondContact O-N 3.39Å; T113-S117 PolarHBondContact O-OG 3.38Å; T113-F561 HydrophobicContact CG2-CE1 3.82Å; T113-F561 HydrophobicContact CG2-CZ 3.9Å; T113-P682 PolarHBondContact OG1-O 3.01Å; T113-P682 VanDerWaalsContact OG1-O 3.1Å; T113-P683 WeakPolarHBondContact OG1-CA 3.31Å
114	L	95	Very high	92.6	Very high	50 Å²	50	24.7 Å²	24.7	26%	0.262	15%	0.146	S	C	.	.	H	α-helix	trans	-61	-35.9	176.6	-78.8	168.4	0	0	0	112.7	Q111 M112 S117 L118 I167 P683	Q111-L114 WeakPolarHBondContact O-CB 3.34Å; Q111-L114 PolarHBondContact O-N 2.78Å; M112-L114 PolarHBondContact O-N 3.07Å; L114-S117 VanDerWaalsContact CA-OG 3.23Å; L114-S117 WeakPolarHBondContact CA-OG 3.46Å; L114-S117 PolarHBondContact O-OG 3.12Å; L114-S117 VanDerWaalsContact O-OG 3.1Å; L114-L118 HydrophobicContact CB-CD1 4.45Å; L114-L118 VanDerWaalsContact O-CB 3.26Å; L114-L118 WeakPolarHBondContact O-CB 3.33Å; L114-L118 WeakPolarHBondContact O-CD1 3.18Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.47Å; L114-L118 PolarHBondContact O-N 2.68Å; L114-I167 HydrophobicContact CB-CD1 3.99Å; L114-I167 HydrophobicContact CB-CG1 4.34Å; L114-I167 HydrophobicContact CB-CG2 3.77Å; L114-I167 HydrophobicContact CD1-CD1 4.42Å; L114-P683 HydrophobicContact CD2-CB 3.98Å; L114-P683 HydrophobicContact CD2-CG 3.41Å; L114-P683 VanDerWaalsContact CD2-CG 3.41Å; L114-P683 HydrophobicContact CG-CB 4.3Å; L114-P683 HydrophobicContact CG-CG 3.93Å
115	G	92.1	Very high	92.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.9	-49.3	-178.4	0	0	0	0	0	112.5	Y94 T113 L119 G171	Y94-G115 WeakPolarHBondContact OH-CA 3.35Å; T113-G115 VanDerWaalsContact C-N 3.29Å; T113-G115 PolarHBondContact O-N 3.44Å; G115-L119 WeakPolarHBondContact O-CB 3.22Å; G115-L119 PolarHBondContact O-N 3Å; G115-L119 VanDerWaalsContact O-N 3.1Å; G115-G171 WeakPolarHBondContact O-CA 3.34Å
116	G	92.6	Very high	92.4	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-73.9	-37.8	179.5	0	0	0	0	0	113.6	Y94 L119 T120	Y94-G116 VanDerWaalsContact CD1-CA 3.43Å; G116-L119 PolarHBondContact O-N 2.74Å; G116-T120 PolarHBondContact O-N 3.02Å; G116-T120 PolarHBondContact O-OG1 3.13Å
117	S	95.7	Very high	91.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66	-40.5	177.9	55.3	0	0	0	0	112.4	T113 L114 G121 Y678	T113-S117 WeakPolarHBondContact O-CB 3.35Å; T113-S117 PolarHBondContact O-N 3.39Å; T113-S117 PolarHBondContact O-OG 3.38Å; L114-S117 VanDerWaalsContact CA-OG 3.23Å; L114-S117 WeakPolarHBondContact CA-OG 3.46Å; L114-S117 PolarHBondContact O-OG 3.12Å; L114-S117 VanDerWaalsContact O-OG 3.1Å; S117-G121 WeakPolarHBondContact O-CA 3.19Å; S117-G121 PolarHBondContact O-N 2.79Å; S117-Y678 WeakPolarHBondContact CB-O 3.06Å
118	L	97	Very high	91.1	Very high	23 Å²	23	20.6 Å²	20.6	12%	0.12	11%	0.109	C	C	.	.	H	α-helix	trans	-69.7	-40	174.2	-70.7	168.4	0	0	0	111.7	L114 T120 G121 F122 I167 G171 I172 I679	L114-L118 HydrophobicContact CB-CD1 4.45Å; L114-L118 VanDerWaalsContact O-CB 3.26Å; L114-L118 WeakPolarHBondContact O-CB 3.33Å; L114-L118 WeakPolarHBondContact O-CD1 3.18Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.47Å; L114-L118 PolarHBondContact O-N 2.68Å; L118-T120 PolarHBondContact O-N 3.5Å; L118-G121 PolarHBondContact O-N 2.72Å; L118-F122 HydrophobicContact CB-CD2 4.47Å; L118-F122 HydrophobicContact CD2-CD2 4.1Å; L118-F122 HydrophobicContact CD2-CE2 3.69Å; L118-F122 WeakPolarHBondContact O-CB 3.17Å; L118-F122 WeakPolarHBondContact O-CD2 3.47Å; L118-F122 PolarHBondContact O-N 3.4Å; L118-I167 HydrophobicContact CD1-CG2 3.46Å; L118-I167 VanDerWaalsContact CD1-CG2 3.46Å; L118-G171 CarbonylContact C-O 3.49Å; L118-I172 HydrophobicContact CB-CG1 4.35Å; L118-I172 HydrophobicContact CD1-CG1 4.27Å; L118-I172 HydrophobicContact CD2-CG1 4.35Å; L118-I679 HydrophobicContact CD2-CG2 3.86Å
119	L	96.5	Very high	90.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-53.8	-54.8	173.5	178.6	64.7	0	0	0	110.9	M90 G115 G116 Y123 F170 G171 G175 Y178	M90-L119 HydrophobicContact CG-CD2 4.2Å; G115-L119 WeakPolarHBondContact O-CB 3.22Å; G115-L119 PolarHBondContact O-N 3Å; G115-L119 VanDerWaalsContact O-N 3.1Å; G116-L119 PolarHBondContact O-N 2.74Å; L119-Y123 PolarHBondContact O-N 3.34Å; L119-F170 HydrophobicContact CB-CE1 4.46Å; L119-F170 HydrophobicContact CD2-CE1 3.76Å; L119-F170 HydrophobicContact CD2-CZ 4.06Å; L119-G171 VanDerWaalsContact CA-O 3.23Å; L119-G171 WeakPolarHBondContact CA-O 3.28Å; L119-G171 PolarHBondContact N-O 2.71Å; L119-G175 VanDerWaalsContact O-CA 3.25Å; L119-G175 WeakPolarHBondContact O-CA 3.25Å; L119-Y178 HydrophobicContact CD1-CD2 3.78Å; L119-Y178 HydrophobicContact CD1-CE2 4.07Å; L119-Y178 HydrophobicContact CD1-CG 4.38Å; L119-Y178 HydrophobicContact CD2-CD2 4.47Å; L119-Y178 HydrophobicContact CD2-CE2 4.19Å; L119-Y178 HydrophobicContact CG-CD2 4.23Å; L119-Y178 HydrophobicContact CG-CE2 4.43Å
120	T	94.4	Very high	89.9	Confident	3 Å²	3	23.1 Å²	23.1	2%	0.018	12%	0.119	C	C	.	.	H	α-helix	trans	-72.2	-39.6	-177	-56	0	0	0	0	111.9	C91 G116 L118 Y123 F124 Y678	C91-T120 WeakPolarHBondContact CB-OG1 3.32Å; C91-T120 PolarHBondContact SG-OG1 2.95Å; G116-T120 PolarHBondContact O-N 3.02Å; G116-T120 PolarHBondContact O-OG1 3.13Å; L118-T120 PolarHBondContact O-N 3.5Å; T120-Y123 HydrophobicContact CG2-CD1 3.77Å; T120-Y123 HydrophobicContact CG2-CE1 3.74Å; T120-Y123 WeakPolarHBondContact O-CD1 3.4Å; T120-Y123 PolarHBondContact O-N 3.33Å; T120-F124 HydrophobicContact CG2-CD2 4.41Å; T120-F124 HydrophobicContact CG2-CE2 4.07Å; T120-F124 PolarHBondContact O-N 3.5Å; T120-Y678 HydrophobicContact CG2-CD1 3.62Å; T120-Y678 HydrophobicContact CG2-CD2 4.3Å; T120-Y678 HydrophobicContact CG2-CE1 3.44Å; T120-Y678 VanDerWaalsContact CG2-CE1 3.44Å; T120-Y678 HydrophobicContact CG2-CE2 4.13Å; T120-Y678 HydrophobicContact CG2-CG 4.04Å
121	G	94.6	Very high	88.7	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.7	-47.2	179.7	0	0	0	0	0	113.5	S117 L118 Y123 F124 M125 A675	S117-G121 WeakPolarHBondContact O-CA 3.19Å; S117-G121 PolarHBondContact O-N 2.79Å; L118-G121 PolarHBondContact O-N 2.72Å; G121-Y123 VanDerWaalsContact C-N 3.33Å; G121-Y123 PolarHBondContact O-N 3.28Å; G121-F124 PolarHBondContact O-N 2.75Å; G121-M125 WeakPolarHBondContact O-CB 3.44Å; G121-M125 PolarHBondContact O-N 3.44Å; G121-A675 WeakPolarHBondContact O-CB 3.4Å
122	F	94.5	Very high	87.3	Confident	39 Å²	39	17.2 Å²	17.2	17%	0.171	9%	0.094	C	C	.	.	H	α-helix	trans	-69.9	-30	178.8	-85.7	-99.1	0	0	0	112.6	L118 F124 M125 V126 I172 I176 I679	L118-F122 HydrophobicContact CB-CD2 4.47Å; L118-F122 HydrophobicContact CD2-CD2 4.1Å; L118-F122 HydrophobicContact CD2-CE2 3.69Å; L118-F122 WeakPolarHBondContact O-CB 3.17Å; L118-F122 WeakPolarHBondContact O-CD2 3.47Å; L118-F122 PolarHBondContact O-N 3.4Å; F122-F124 VanDerWaalsContact C-N 3.26Å; F122-F124 PolarHBondContact O-N 3.27Å; F122-M125 HydrophobicContact CD1-CE 3.41Å; F122-M125 VanDerWaalsContact CD1-CE 3.41Å; F122-M125 HydrophobicContact CD2-CE 4.01Å; F122-M125 HydrophobicContact CE1-CE 3.14Å; F122-M125 HydrophobicContact CE2-CE 3.75Å; F122-M125 HydrophobicContact CG-CE 3.86Å; F122-M125 HydrophobicContact CZ-CE 3.34Å; F122-M125 PolarHBondContact O-N 2.92Å; F122-V126 WeakPolarHBondContact O-CB 3.34Å; F122-V126 WeakPolarHBondContact O-CG2 3.41Å; F122-V126 PolarHBondContact O-N 3.4Å; F122-V126 VanDerWaalsContact O-N 3.11Å; F122-I172 HydrophobicContact CD1-CG2 3.88Å; F122-I172 HydrophobicContact CD2-CG1 4.13Å; F122-I172 HydrophobicContact CD2-CG2 4.45Å; F122-I172 HydrophobicContact CE1-CG2 3.65Å; F122-I172 HydrophobicContact CE2-CB 4.47Å; F122-I172 HydrophobicContact CE2-CD1 4.26Å; F122-I172 HydrophobicContact CE2-CG1 3.79Å; F122-I172 HydrophobicContact CE2-CG2 4.28Å; F122-I172 HydrophobicContact CG-CG2 4.26Å; F122-I172 HydrophobicContact CZ-CD1 4.22Å; F122-I172 HydrophobicContact CZ-CG1 4.07Å; F122-I172 HydrophobicContact CZ-CG2 3.87Å; F122-I176 HydrophobicContact CD1-CD1 4.48Å; F122-I176 HydrophobicContact CD1-CG1 4.13Å; F122-I679 HydrophobicContact CD2-CD1 4.23Å; F122-I679 HydrophobicContact CE2-CD1 4.16Å
123	Y	91.7	Very high	86.4	Confident	16 Å²	16	19.5 Å²	19.5	6%	0.063	11%	0.106	C	C	.	.	H	α-helix	trans	-57.7	-41.7	172.5	118.7	-116.8	0	0	0	111.5	L119 T120 G121 G175 G179 Y182	L119-Y123 PolarHBondContact O-N 3.34Å; T120-Y123 HydrophobicContact CG2-CD1 3.77Å; T120-Y123 HydrophobicContact CG2-CE1 3.74Å; T120-Y123 WeakPolarHBondContact O-CD1 3.4Å; T120-Y123 PolarHBondContact O-N 3.33Å; G121-Y123 VanDerWaalsContact C-N 3.33Å; G121-Y123 PolarHBondContact O-N 3.28Å; Y123-G175 VanDerWaalsContact CA-O 3.27Å; Y123-G175 WeakPolarHBondContact CA-O 3.08Å; Y123-G175 PolarHBondContact N-O 2.95Å; Y123-G179 WeakPolarHBondContact O-CA 3.4Å; Y123-Y182 HydrophobicContact CD2-CD1 4.21Å; Y123-Y182 HydrophobicContact CD2-CG 4.03Å; Y123-Y182 AromaticContact CE2-CD1 3.5Å; Y123-Y182 HydrophobicContact CE2-CD1 3.5Å; Y123-Y182 VanDerWaalsContact CE2-CD1 3.5Å; Y123-Y182 AromaticContact CE2-CD2 3.75Å; Y123-Y182 HydrophobicContact CE2-CD2 3.75Å; Y123-Y182 AromaticContact CE2-CE1 3.88Å; Y123-Y182 HydrophobicContact CE2-CE1 3.88Å; Y123-Y182 HydrophobicContact CE2-CE2 4.12Å; Y123-Y182 AromaticContact CE2-CG 3.44Å; Y123-Y182 HydrophobicContact CE2-CG 3.44Å; Y123-Y182 VanDerWaalsContact CE2-CG 3.44Å
124	F	89.1	Confident	85.3	Confident	19 Å²	19	19.6 Å²	19.6	8%	0.083	11%	0.107	C	C	.	.	H	α-helix	trans	-74.6	-43	175.3	-72.3	-45.5	0	0	0	113.1	T120 G121 F122 V126 G127 M552 L671 A675	T120-F124 HydrophobicContact CG2-CD2 4.41Å; T120-F124 HydrophobicContact CG2-CE2 4.07Å; T120-F124 PolarHBondContact O-N 3.5Å; G121-F124 PolarHBondContact O-N 2.75Å; F122-F124 VanDerWaalsContact C-N 3.26Å; F122-F124 PolarHBondContact O-N 3.27Å; F124-V126 PolarHBondContact O-N 3.28Å; F124-G127 PolarHBondContact O-N 2.97Å; F124-G127 VanDerWaalsContact O-N 3.13Å; F124-M552 HydrophobicContact CE2-CE 3.8Å; F124-M552 HydrophobicContact CE2-SD 4.43Å; F124-M552 HydrophobicContact CZ-CE 4.01Å; F124-L671 HydrophobicContact CD1-CD2 3.47Å; F124-L671 VanDerWaalsContact CD1-CD2 3.47Å; F124-L671 HydrophobicContact CE1-CD2 3.63Å; F124-L671 HydrophobicContact CG-CD2 4.38Å; F124-A675 HydrophobicContact CB-CB 3.67Å
125	M	88.9	Confident	83.9	Confident	48 Å²	48	18 Å²	18	24%	0.236	10%	0.098	C	C	.	.	H	α-helix	trans	-63.2	-30.9	-174.5	-171.8	158.7	62.3	0	0	113.1	G121 F122 G127 L672 A675 F676 I679	G121-M125 WeakPolarHBondContact O-CB 3.44Å; G121-M125 PolarHBondContact O-N 3.44Å; F122-M125 HydrophobicContact CD1-CE 3.41Å; F122-M125 VanDerWaalsContact CD1-CE 3.41Å; F122-M125 HydrophobicContact CD2-CE 4.01Å; F122-M125 HydrophobicContact CE1-CE 3.14Å; F122-M125 HydrophobicContact CE2-CE 3.75Å; F122-M125 HydrophobicContact CG-CE 3.86Å; F122-M125 HydrophobicContact CZ-CE 3.34Å; F122-M125 PolarHBondContact O-N 2.92Å; M125-G127 PolarHBondContact O-N 2.74Å; M125-L672 HydrophobicContact CG-CD1 3.88Å; M125-A675 HydrophobicContact CB-CB 3.92Å; M125-F676 HydrophobicContact SD-CE1 4.22Å; M125-F676 HydrophobicContact SD-CZ 4.23Å; M125-I679 HydrophobicContact CE-CD1 4.3Å
126	V	85.2	Confident	82.8	Confident	16 Å²	16	24.9 Å²	24.9	10%	0.097	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-3.2	-177.7	176	0	0	0	0	112	F122 F124 L129 V130 I176	F122-V126 WeakPolarHBondContact O-CB 3.34Å; F122-V126 WeakPolarHBondContact O-CG2 3.41Å; F122-V126 PolarHBondContact O-N 3.4Å; F122-V126 VanDerWaalsContact O-N 3.11Å; F124-V126 PolarHBondContact O-N 3.28Å; V126-L129 HydrophobicContact CG1-CB 4.4Å; V126-L129 HydrophobicContact CG1-CD2 4.23Å; V126-L129 WeakPolarHBondContact O-CB 3.46Å; V126-L129 PolarHBondContact O-N 3.24Å; V126-L129 VanDerWaalsContact O-N 3.09Å; V126-V130 HydrophobicContact CB-CG2 4.49Å; V126-V130 HydrophobicContact CG1-CG2 3.47Å; V126-V130 VanDerWaalsContact CG1-CG2 3.47Å; V126-V130 WeakPolarHBondContact O-CG2 3.37Å; V126-V130 PolarHBondContact O-N 2.94Å; V126-I176 HydrophobicContact CG1-CG2 4.49Å; V126-I176 HydrophobicContact CG2-CB 4.41Å; V126-I176 HydrophobicContact CG2-CG1 3.86Å
127	G	76.3	Confident	82.1	Confident	11 Å²	11	29.8 Å²	29.8	11%	0.113	15%	0.149	C	C	.	.	H	α-helix	trans	-46.9	-56.3	-179.6	0	0	0	0	0	115.4	F124 M125 L129 V130 S131 L183	F124-G127 PolarHBondContact O-N 2.97Å; F124-G127 VanDerWaalsContact O-N 3.13Å; M125-G127 PolarHBondContact O-N 2.74Å; G127-L129 VanDerWaalsContact C-N 3.31Å; G127-L129 PolarHBondContact O-N 3.16Å; G127-V130 PolarHBondContact O-N 3.23Å; G127-S131 PolarHBondContact O-N 3.05Å; G127-L183 WeakPolarHBondContact O-CD2 3.18Å
128	P	73.6	Confident	81.2	Confident	26 Å²	26	30.9 Å²	30.9	17%	0.169	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-37	179.2	-25.2	35	0	0	0	113.6	G132 V530	P128-G132 PolarHBondContact O-N 2.87Å; P128-V530 HydrophobicContact CB-CG1 4.42Å
129	L	77.7	Confident	80.7	Confident	93 Å²	93	30.5 Å²	30.5	49%	0.487	16%	0.16	S	C	.	.	H	α-helix	trans	-66.6	-44.4	177.6	-179.3	69.5	0	0	0	110.9	V126 G127 S131 G132 L133	V126-L129 HydrophobicContact CG1-CB 4.4Å; V126-L129 HydrophobicContact CG1-CD2 4.23Å; V126-L129 WeakPolarHBondContact O-CB 3.46Å; V126-L129 PolarHBondContact O-N 3.24Å; V126-L129 VanDerWaalsContact O-N 3.09Å; G127-L129 VanDerWaalsContact C-N 3.31Å; G127-L129 PolarHBondContact O-N 3.16Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 2.93Å; L129-G132 PolarHBondContact O-N 2.79Å; L129-G132 VanDerWaalsContact O-N 3.12Å; L129-L133 PolarHBondContact O-N 2.92Å; L129-L133 VanDerWaalsContact O-N 3.09Å
130	V	79.9	Confident	80.5	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.2	-36.6	-179.9	179	0	0	0	0	111.3	V126 G127 G132 L133 L134 V142 C180 L183 P184	V126-V130 HydrophobicContact CB-CG2 4.49Å; V126-V130 HydrophobicContact CG1-CG2 3.47Å; V126-V130 VanDerWaalsContact CG1-CG2 3.47Å; V126-V130 WeakPolarHBondContact O-CG2 3.37Å; V126-V130 PolarHBondContact O-N 2.94Å; G127-V130 PolarHBondContact O-N 3.23Å; V130-G132 PolarHBondContact O-N 3.22Å; V130-L133 PolarHBondContact O-N 2.92Å; V130-L133 VanDerWaalsContact O-N 3.07Å; V130-L134 HydrophobicContact CG1-CG 4.48Å; V130-L134 WeakPolarHBondContact O-CG 3.35Å; V130-L134 PolarHBondContact O-N 2.73Å; V130-V142 HydrophobicContact CG1-CG1 3.98Å; V130-C180 HydrophobicContact CG2-CB 4.48Å; V130-L183 HydrophobicContact CB-CB 4.38Å; V130-L183 HydrophobicContact CB-CD2 3.75Å; V130-L183 HydrophobicContact CG1-CB 3.88Å; V130-L183 HydrophobicContact CG1-CD2 3.85Å; V130-L183 HydrophobicContact CG1-CG 4.45Å; V130-P184 HydrophobicContact CG1-CG 3.82Å
131	S	69.3	Low	80.3	Confident	6 Å²	6	38.2 Å²	38.2	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-54.8	-39.6	171.4	-174.5	0	0	0	0	111.7	G127 L129 L134 N135	G127-S131 PolarHBondContact O-N 3.05Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 2.93Å; S131-L134 WeakPolarHBondContact O-CB 3.38Å; S131-N135 PolarHBondContact O-ND2 2.96Å
132	G	64	Low	80.1	Confident	9 Å²	9	38.6 Å²	38.6	9%	0.093	19%	0.194	C	C	.	.	H	α-helix	trans	-69.9	-37.6	173.3	0	0	0	0	0	115.3	P128 L129 V130 L134 N135 M526	P128-G132 PolarHBondContact O-N 2.87Å; L129-G132 PolarHBondContact O-N 2.79Å; L129-G132 VanDerWaalsContact O-N 3.12Å; V130-G132 PolarHBondContact O-N 3.22Å; G132-L134 VanDerWaalsContact C-N 3.31Å; G132-L134 PolarHBondContact O-N 3.09Å; G132-N135 PolarHBondContact O-N 3.38Å; G132-M526 WeakPolarHBondContact CA-SD 3.12Å
133	L	72.5	Confident	80.2	Confident	49 Å²	49	36.8 Å²	36.8	26%	0.257	19%	0.186	S	C	.	.	H	α-helix	trans	-64.5	-37.5	175.6	-65.3	174.9	0	0	0	111.9	L129 V130 N135 K136 F137 V142	L129-L133 PolarHBondContact O-N 2.92Å; L129-L133 VanDerWaalsContact O-N 3.09Å; V130-L133 PolarHBondContact O-N 2.92Å; V130-L133 VanDerWaalsContact O-N 3.07Å; L133-N135 VanDerWaalsContact C-N 3.26Å; L133-N135 PolarHBondContact O-N 2.89Å; L133-K136 PolarHBondContact O-N 2.98Å; L133-K136 VanDerWaalsContact O-N 3.17Å; L133-F137 HydrophobicContact CB-CD2 4.49Å; L133-F137 HydrophobicContact CD2-CD2 4.08Å; L133-F137 HydrophobicContact CD2-CE2 3.93Å; L133-F137 PolarHBondContact O-N 3.17Å; L133-V142 HydrophobicContact CB-CG1 4.4Å; L133-V142 HydrophobicContact CB-CG2 3.86Å
134	L	71.1	Confident	80.4	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-56.9	-38.6	176.9	-77.6	173.9	0	0	0	112.7	V130 S131 G132 G138 S139 V142 P184	V130-L134 HydrophobicContact CG1-CG 4.48Å; V130-L134 WeakPolarHBondContact O-CG 3.35Å; V130-L134 PolarHBondContact O-N 2.73Å; S131-L134 WeakPolarHBondContact O-CB 3.38Å; G132-L134 VanDerWaalsContact C-N 3.31Å; G132-L134 PolarHBondContact O-N 3.09Å; L134-G138 VanDerWaalsContact O-CA 3.24Å; L134-G138 WeakPolarHBondContact O-CA 3.35Å; L134-G138 PolarHBondContact O-N 3.27Å; L134-S139 VanDerWaalsContact CD2-CA 3.46Å; L134-S139 WeakPolarHBondContact CD2-OG 3.07Å; L134-V142 HydrophobicContact CD2-CB 4.41Å; L134-V142 HydrophobicContact CD2-CG2 4.43Å; L134-P184 HydrophobicContact CD1-CB 4.46Å; L134-P184 HydrophobicContact CD1-CG 4.24Å; L134-P184 HydrophobicContact CD2-CB 3.5Å; L134-P184 HydrophobicContact CD2-CG 3.55Å; L134-P184 HydrophobicContact CG-CB 4.43Å; L134-P184 HydrophobicContact CG-CG 4.09Å
135	N	64.6	Low	80.7	Confident	16 Å²	16	41.7 Å²	41.7	9%	0.086	22%	0.217	C	C	.	.	H	α-helix	trans	-71.9	-32.1	179.6	-66.3	-41.2	0	0	0	113.7	S131 G132 L133 A480 M526	S131-N135 PolarHBondContact O-ND2 2.96Å; G132-N135 PolarHBondContact O-N 3.38Å; L133-N135 VanDerWaalsContact C-N 3.26Å; L133-N135 PolarHBondContact O-N 2.89Å; N135-A480 VanDerWaalsContact CG-CB 3.46Å; N135-A480 WeakPolarHBondContact ND2-CB 3.31Å; N135-A480 WeakPolarHBondContact OD1-CB 3.47Å; N135-A480 PolarHBondContact OD1-N 2.89Å; N135-M526 HydrophobicContact CB-CE 3.9Å; N135-M526 WeakPolarHBondContact ND2-CE 3.44Å; N135-M526 PolarHBondContact ND2-SD 3.38Å
136	K	69.3	Low	81.1	Confident	144 Å²	144	39.4 Å²	39.4	63%	0.626	21%	0.205	S	C	*	.	H	α-helix	trans	-86.4	-39.7	-176.5	-175.2	172.7	177.9	-177.7	0	112.1	L133	L133-K136 PolarHBondContact O-N 2.98Å; L133-K136 VanDerWaalsContact O-N 3.17Å
137	F	77.5	Confident	81.7	Confident	104 Å²	104	38.6 Å²	38.6	46%	0.456	20%	0.201	S	C	.	.	H	α-helix	trans	-114.6	-17.1	-169.1	-61.3	-65.5	0	0	0	113.8	L133 E141 V142	L133-F137 HydrophobicContact CB-CD2 4.49Å; L133-F137 HydrophobicContact CD2-CD2 4.08Å; L133-F137 HydrophobicContact CD2-CE2 3.93Å; L133-F137 PolarHBondContact O-N 3.17Å; F137-E141 HydrophobicContact CB-CB 4.14Å; F137-E141 WeakPolarHBondContact O-CB 3.27Å; F137-E141 VanDerWaalsContact O-CD 3.27Å; F137-E141 WeakPolarHBondContact O-CG 3.13Å; F137-V142 HydrophobicContact CB-CG2 4.05Å
138	G	78.5	Confident	82.8	Confident	24 Å²	24	42.5 Å²	42.5	25%	0.247	22%	0.218	C	C	.	.			trans	82.8	162.9	-173.5	0	0	0	0	0	113.2	L134 R140 V142	L134-G138 VanDerWaalsContact O-CA 3.24Å; L134-G138 WeakPolarHBondContact O-CA 3.35Å; L134-G138 PolarHBondContact O-N 3.27Å; G138-R140 PolarHBondContact O-N 3.25Å; G138-V142 WeakPolarHBondContact O-CG2 3.28Å; G138-V142 PolarHBondContact O-N 2.97Å
139	S	86.3	Confident	83.9	Confident	15 Å²	15	44.4 Å²	44.4	11%	0.105	23%	0.226	C	C	.	.	H	α-helix	trans	-66.9	-35.7	-174.2	-56.4	0	0	0	0	114.1	L134 V143	L134-S139 VanDerWaalsContact CD2-CA 3.46Å; L134-S139 WeakPolarHBondContact CD2-OG 3.07Å; S139-V143 WeakPolarHBondContact O-CB 3.14Å; S139-V143 WeakPolarHBondContact O-CG2 3.41Å; S139-V143 PolarHBondContact O-N 2.8Å; S139-V143 VanDerWaalsContact O-N 3.11Å
140	R	91.7	Very high	84.8	Confident	96 Å²	96	40 Å²	40	36%	0.362	20%	0.203	S	C	.	.	H	α-helix	trans	-64.8	-51.1	-177.6	169	176.1	73.9	168.8	7.8	111.7	G138 V142 V143 I144 G246 F249	G138-R140 PolarHBondContact O-N 3.25Å; R140-V142 VanDerWaalsContact C-N 3.35Å; R140-V142 PolarHBondContact O-N 2.85Å; R140-V143 PolarHBondContact O-N 2.87Å; R140-I144 HydrophobicContact CG-CD1 3.83Å; R140-I144 VanDerWaalsContact O-CG1 3.3Å; R140-I144 WeakPolarHBondContact O-CG1 3.35Å; R140-I144 PolarHBondContact O-N 3.38Å; R140-G246 WeakPolarHBondContact CG-O 3.35Å; R140-F249 HydrophobicContact CB-CB 4.07Å; R140-F249 WeakPolarHBondContact CB-O 2.98Å
141	E	90.2	Very high	85.7	Confident	69 Å²	69	40.5 Å²	40.5	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-64.2	-43	-176.7	-68.1	68.9	-160.1	0	0	110.3	F137 I144 V145	F137-E141 HydrophobicContact CB-CB 4.14Å; F137-E141 WeakPolarHBondContact O-CB 3.27Å; F137-E141 VanDerWaalsContact O-CD 3.27Å; F137-E141 WeakPolarHBondContact O-CG 3.13Å; E141-I144 PolarHBondContact O-N 2.92Å; E141-V145 WeakPolarHBondContact O-CB 3.42Å; E141-V145 WeakPolarHBondContact O-CG2 2.99Å; E141-V145 PolarHBondContact O-N 3.2Å
142	V	91.3	Very high	87.1	Confident	8 Å²	8	44.7 Å²	44.7	5%	0.048	23%	0.231	C	C	.	.	H	α-helix	trans	-64	-42	178.5	178.4	0	0	0	0	111.5	V130 L133 L134 F137 G138 R140 G146 C180 P184	V130-V142 HydrophobicContact CG1-CG1 3.98Å; L133-V142 HydrophobicContact CB-CG1 4.4Å; L133-V142 HydrophobicContact CB-CG2 3.86Å; L134-V142 HydrophobicContact CD2-CB 4.41Å; L134-V142 HydrophobicContact CD2-CG2 4.43Å; F137-V142 HydrophobicContact CB-CG2 4.05Å; G138-V142 WeakPolarHBondContact O-CG2 3.28Å; G138-V142 PolarHBondContact O-N 2.97Å; R140-V142 VanDerWaalsContact C-N 3.35Å; R140-V142 PolarHBondContact O-N 2.85Å; V142-G146 PolarHBondContact O-N 2.79Å; V142-C180 HydrophobicContact CG1-CB 4.16Å; V142-P184 HydrophobicContact CB-CG 4.18Å; V142-P184 HydrophobicContact CG1-CG 3.7Å
143	V	95.4	Very high	88.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-41.5	177.5	170.8	0	0	0	0	112	S139 R140 G146 T147 I181 P184 C242 F249	S139-V143 WeakPolarHBondContact O-CB 3.14Å; S139-V143 WeakPolarHBondContact O-CG2 3.41Å; S139-V143 PolarHBondContact O-N 2.8Å; S139-V143 VanDerWaalsContact O-N 3.11Å; R140-V143 PolarHBondContact O-N 2.87Å; V143-G146 PolarHBondContact O-N 3.44Å; V143-T147 WeakPolarHBondContact O-CB 3.44Å; V143-T147 PolarHBondContact O-N 2.86Å; V143-T147 PolarHBondContact O-OG1 2.82Å; V143-I181 HydrophobicContact CG1-CG2 4.39Å; V143-P184 HydrophobicContact CG2-CB 3.49Å; V143-P184 VanDerWaalsContact CG2-CB 3.49Å; V143-P184 HydrophobicContact CG2-CG 3.98Å; V143-C242 WeakPolarHBondContact CG1-O 2.87Å; V143-F249 HydrophobicContact CB-CD2 4.4Å; V143-F249 HydrophobicContact CB-CE2 4.34Å; V143-F249 HydrophobicContact CG1-CE2 4.35Å; V143-F249 HydrophobicContact CG2-CD2 3.88Å; V143-F249 HydrophobicContact CG2-CE2 3.62Å
144	I	96.6	Very high	89.8	Confident	56 Å²	56	42.5 Å²	42.5	29%	0.287	22%	0.219	S	C	.	.	H	α-helix	trans	-63.5	-47	178.3	-68.1	167.6	0	0	0	110.1	R140 E141 T147 L148	R140-I144 HydrophobicContact CG-CD1 3.83Å; R140-I144 VanDerWaalsContact O-CG1 3.3Å; R140-I144 WeakPolarHBondContact O-CG1 3.35Å; R140-I144 PolarHBondContact O-N 3.38Å; E141-I144 PolarHBondContact O-N 2.92Å; I144-T147 WeakPolarHBondContact O-CB 3.36Å; I144-T147 PolarHBondContact O-N 3.31Å; I144-L148 WeakPolarHBondContact O-CG 3.39Å; I144-L148 PolarHBondContact O-N 2.92Å
145	V	95.5	Very high	91.1	Very high	82 Å²	82	45.4 Å²	45.4	50%	0.497	23%	0.234	S	C	.	.	H	α-helix	trans	-63.8	-43.8	176.9	172.6	0	0	0	0	111.1	E141 T147 L148 I149	E141-V145 WeakPolarHBondContact O-CB 3.42Å; E141-V145 WeakPolarHBondContact O-CG2 2.99Å; E141-V145 PolarHBondContact O-N 3.2Å; V145-T147 VanDerWaalsContact C-N 3.3Å; V145-T147 PolarHBondContact O-N 2.86Å; V145-L148 PolarHBondContact O-N 3.45Å; V145-I149 HydrophobicContact CG1-CD1 3.79Å; V145-I149 HydrophobicContact CG1-CG1 4.42Å; V145-I149 WeakPolarHBondContact O-CG1 3.49Å; V145-I149 PolarHBondContact O-N 3.33Å
146	G	97.1	Very high	92.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.1	-38.2	175.1	0	0	0	0	0	113.3	V142 V143 I149 S150 G177	V142-G146 PolarHBondContact O-N 2.79Å; V143-G146 PolarHBondContact O-N 3.44Å; G146-I149 PolarHBondContact O-N 3.25Å; G146-S150 WeakPolarHBondContact O-CB 3.1Å; G146-S150 PolarHBondContact O-N 2.74Å; G146-S150 PolarHBondContact O-OG 3.36Å; G146-G177 WeakPolarHBondContact O-CA 3.47Å
147	T	98.3	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-64.3	-46.3	174.4	-56.8	0	0	0	0	111.2	V143 I144 V145 I149 S150 T151 N239 C242 A243	V143-T147 WeakPolarHBondContact O-CB 3.44Å; V143-T147 PolarHBondContact O-N 2.86Å; V143-T147 PolarHBondContact O-OG1 2.82Å; I144-T147 WeakPolarHBondContact O-CB 3.36Å; I144-T147 PolarHBondContact O-N 3.31Å; V145-T147 VanDerWaalsContact C-N 3.3Å; V145-T147 PolarHBondContact O-N 2.86Å; T147-I149 PolarHBondContact O-N 2.99Å; T147-S150 WeakPolarHBondContact CA-OG 3.5Å; T147-S150 PolarHBondContact O-N 3.02Å; T147-S150 PolarHBondContact O-OG 3.21Å; T147-S150 VanDerWaalsContact O-OG 3.07Å; T147-T151 VanDerWaalsContact O-CB 3.26Å; T147-T151 WeakPolarHBondContact O-CB 3.45Å; T147-T151 PolarHBondContact O-N 2.95Å; T147-T151 PolarHBondContact O-OG1 3.38Å; T147-T151 VanDerWaalsContact O-OG1 3.1Å; T147-N239 WeakPolarHBondContact CG2-O 3.32Å; T147-C242 HydrophobicContact CG2-CB 3.8Å; T147-C242 WeakPolarHBondContact OG1-CB 3.44Å; T147-A243 HydrophobicContact CG2-CB 3.85Å; T147-A243 PolarHBondContact OG1-N 2.76Å
148	L	97.7	Very high	94.6	Very high	92 Å²	92	35.1 Å²	35.1	48%	0.482	20%	0.197	S	C	.	.	H	α-helix	trans	-62.7	-44.3	177.4	-67.4	174.4	0	0	0	111.7	I144 V145 T151 V152 L240	I144-L148 WeakPolarHBondContact O-CG 3.39Å; I144-L148 PolarHBondContact O-N 2.92Å; V145-L148 PolarHBondContact O-N 3.45Å; L148-T151 PolarHBondContact O-N 3.43Å; L148-V152 WeakPolarHBondContact O-CB 3.33Å; L148-V152 VanDerWaalsContact O-CG2 3.24Å; L148-V152 WeakPolarHBondContact O-CG2 3.3Å; L148-V152 PolarHBondContact O-N 3.07Å; L148-L240 HydrophobicContact CD2-CD2 4.47Å
149	I	97.4	Very high	95.4	Very high	66 Å²	66	40.5 Å²	40.5	34%	0.338	21%	0.213	S	C	.	.	H	α-helix	trans	-60.9	-49.8	177.7	-67.9	167.4	0	0	0	110.8	V145 G146 T147 S153	V145-I149 HydrophobicContact CG1-CD1 3.79Å; V145-I149 HydrophobicContact CG1-CG1 4.42Å; V145-I149 WeakPolarHBondContact O-CG1 3.49Å; V145-I149 PolarHBondContact O-N 3.33Å; G146-I149 PolarHBondContact O-N 3.25Å; T147-I149 PolarHBondContact O-N 2.99Å; I149-S153 VanDerWaalsContact O-CB 3.31Å; I149-S153 WeakPolarHBondContact O-CB 3.28Å; I149-S153 PolarHBondContact O-N 3.36Å; I149-S153 PolarHBondContact O-OG 3.12Å
150	S	97.4	Very high	95.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-42.6	-179.9	52.9	0	0	0	0	112.1	G146 T147 S153 I154 Y178 I181 N239	G146-S150 WeakPolarHBondContact O-CB 3.1Å; G146-S150 PolarHBondContact O-N 2.74Å; G146-S150 PolarHBondContact O-OG 3.36Å; T147-S150 WeakPolarHBondContact CA-OG 3.5Å; T147-S150 PolarHBondContact O-N 3.02Å; T147-S150 PolarHBondContact O-OG 3.21Å; T147-S150 VanDerWaalsContact O-OG 3.07Å; S150-S153 PolarHBondContact O-N 2.95Å; S150-I154 WeakPolarHBondContact O-CB 3.21Å; S150-I154 WeakPolarHBondContact O-CG1 3.22Å; S150-I154 PolarHBondContact O-N 2.83Å; S150-Y178 VanDerWaalsContact CB-CD1 3.45Å; S150-I181 WeakPolarHBondContact OG-CD1 3.44Å; S150-N239 PolarHBondContact OG-ND2 3.15Å
151	T	98.2	Very high	95.6	Very high	11 Å²	11	45 Å²	45	7%	0.067	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-47	176	-69.3	0	0	0	0	111.6	T147 L148 S153 I154 L155 S236 N239 L240	T147-T151 VanDerWaalsContact O-CB 3.26Å; T147-T151 WeakPolarHBondContact O-CB 3.45Å; T147-T151 PolarHBondContact O-N 2.95Å; T147-T151 PolarHBondContact O-OG1 3.38Å; T147-T151 VanDerWaalsContact O-OG1 3.1Å; L148-T151 PolarHBondContact O-N 3.43Å; T151-S153 VanDerWaalsContact C-N 3.3Å; T151-S153 PolarHBondContact O-N 3.28Å; T151-I154 PolarHBondContact O-N 3.47Å; T151-L155 WeakPolarHBondContact O-CB 3.28Å; T151-L155 PolarHBondContact O-N 3.49Å; T151-S236 WeakPolarHBondContact CG2-O 3.42Å; T151-S236 PolarHBondContact OG1-O 2.68Å; T151-N239 PolarHBondContact N-ND2 2.79Å; T151-N239 PolarHBondContact OG1-ND2 2.83Å; T151-L240 HydrophobicContact CG2-CD1 4.27Å; T151-L240 HydrophobicContact CG2-CD2 3.81Å; T151-L240 HydrophobicContact CG2-CG 3.78Å
152	V	97.9	Very high	95.7	Very high	94 Å²	94	45.8 Å²	45.8	57%	0.57	24%	0.237	S	C	*	.	H	α-helix	trans	-62.8	-40.3	178.1	170.3	0	0	0	0	110.7	L148 A156	L148-V152 WeakPolarHBondContact O-CB 3.33Å; L148-V152 VanDerWaalsContact O-CG2 3.24Å; L148-V152 WeakPolarHBondContact O-CG2 3.3Å; L148-V152 PolarHBondContact O-N 3.07Å; V152-A156 WeakPolarHBondContact O-CB 3.34Å; V152-A156 PolarHBondContact O-N 3.41Å
153	S	97.7	Very high	95.7	Very high	11 Å²	11	46.3 Å²	46.3	8%	0.077	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-49.6	177.9	-57.5	0	0	0	0	111.7	I149 S150 T151 A156 S157 I169 C173	I149-S153 VanDerWaalsContact O-CB 3.31Å; I149-S153 WeakPolarHBondContact O-CB 3.28Å; I149-S153 PolarHBondContact O-N 3.36Å; I149-S153 PolarHBondContact O-OG 3.12Å; S150-S153 PolarHBondContact O-N 2.95Å; T151-S153 VanDerWaalsContact C-N 3.3Å; T151-S153 PolarHBondContact O-N 3.28Å; S153-A156 PolarHBondContact O-N 3.5Å; S153-S157 PolarHBondContact O-N 2.93Å; S153-I169 WeakPolarHBondContact CB-O 3.45Å; S153-I169 VanDerWaalsContact O-CG2 3.28Å; S153-I169 WeakPolarHBondContact O-CG2 3.48Å; S153-C173 VanDerWaalsContact OG-CB 3.23Å; S153-C173 WeakPolarHBondContact OG-CB 3.18Å
154	I	96.3	Very high	95.6	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-65.5	-42.9	179.4	-64.7	168.6	0	0	0	110.3	S150 T151 S157 F170 Y178 I232	S150-I154 WeakPolarHBondContact O-CB 3.21Å; S150-I154 WeakPolarHBondContact O-CG1 3.22Å; S150-I154 PolarHBondContact O-N 2.83Å; T151-I154 PolarHBondContact O-N 3.47Å; I154-S157 WeakPolarHBondContact O-CB 3.3Å; I154-S157 PolarHBondContact O-N 3.13Å; I154-S157 PolarHBondContact O-OG 3.19Å; I154-F170 HydrophobicContact CG1-CD2 4.48Å; I154-F170 HydrophobicContact CG1-CE2 4.39Å; I154-F170 HydrophobicContact CG2-CE2 4.35Å; I154-Y178 HydrophobicContact CD1-CE1 3.98Å; I154-Y178 WeakPolarHBondContact CD1-OH 3.3Å; I154-I232 HydrophobicContact CG2-CG2 3.53Å
155	L	97.2	Very high	95.5	Very high	64 Å²	64	52.5 Å²	52.5	34%	0.335	27%	0.273	S	S	.	.	H	α-helix	trans	-63.9	-47.3	177.2	-179.9	62.2	0	0	0	111.6	T151 S157 T158 F159 L233	T151-L155 WeakPolarHBondContact O-CB 3.28Å; T151-L155 PolarHBondContact O-N 3.49Å; L155-S157 PolarHBondContact O-N 3.21Å; L155-T158 WeakPolarHBondContact O-CB 3.27Å; L155-T158 PolarHBondContact O-N 3.41Å; L155-T158 VanDerWaalsContact O-N 3.13Å; L155-T158 PolarHBondContact O-OG1 3.24Å; L155-F159 HydrophobicContact CD1-CE2 4.24Å; L155-F159 HydrophobicContact CG-CE2 4.37Å; L155-L233 HydrophobicContact CD1-CD1 4.5Å; L155-L233 HydrophobicContact CD1-CG 4.14Å
156	A	96.7	Very high	95.5	Very high	40 Å²	40	48.6 Å²	48.6	33%	0.331	25%	0.249	S	C	.	.	H	α-helix	trans	-58.9	-35.8	177.6	0	0	0	0	0	111.5	V152 S153 T158 F159 I160 I169	V152-A156 WeakPolarHBondContact O-CB 3.34Å; V152-A156 PolarHBondContact O-N 3.41Å; S153-A156 PolarHBondContact O-N 3.5Å; A156-T158 PolarHBondContact O-N 2.83Å; A156-T158 VanDerWaalsContact O-N 3.16Å; A156-F159 PolarHBondContact O-N 2.88Å; A156-I160 WeakPolarHBondContact O-CG1 3.43Å; A156-I169 HydrophobicContact CB-CG2 4.08Å
157	S	95.3	Very high	95.4	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-27.7	178.6	83.5	0	0	0	0	114	S153 I154 L155 F159 I160 F166	S153-S157 PolarHBondContact O-N 2.93Å; I154-S157 WeakPolarHBondContact O-CB 3.3Å; I154-S157 PolarHBondContact O-N 3.13Å; I154-S157 PolarHBondContact O-OG 3.19Å; L155-S157 PolarHBondContact O-N 3.21Å; S157-F159 VanDerWaalsContact C-N 3.27Å; S157-F159 PolarHBondContact O-N 2.5Å; S157-I160 PolarHBondContact O-N 2.83Å; S157-F166 WeakPolarHBondContact O-CD2 3.38Å
158	T	94.1	Very high	95.3	Very high	9 Å²	9	52.1 Å²	52.1	6%	0.055	27%	0.27	C	S	.	.	H	α-helix	trans	-66.8	-28.8	-179.4	67.3	0	0	0	0	113	L155 A156 R229 I232 L233	L155-T158 WeakPolarHBondContact O-CB 3.27Å; L155-T158 PolarHBondContact O-N 3.41Å; L155-T158 VanDerWaalsContact O-N 3.13Å; L155-T158 PolarHBondContact O-OG1 3.24Å; A156-T158 PolarHBondContact O-N 2.83Å; A156-T158 VanDerWaalsContact O-N 3.16Å; T158-R229 WeakPolarHBondContact O-CD 3.14Å; T158-I232 HydrophobicContact CG2-CB 3.98Å; T158-I232 HydrophobicContact CG2-CG2 3.62Å; T158-L233 HydrophobicContact CG2-CB 3.93Å
159	F	94.3	Very high	95.3	Very high	137 Å²	137	49.8 Å²	49.8	60%	0.601	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	1.2	-179.3	-56.6	-72.3	0	0	0	113	L155 A156 S157 Y161	L155-F159 HydrophobicContact CD1-CE2 4.24Å; L155-F159 HydrophobicContact CG-CE2 4.37Å; A156-F159 PolarHBondContact O-N 2.88Å; S157-F159 VanDerWaalsContact C-N 3.27Å; S157-F159 PolarHBondContact O-N 2.5Å; F159-Y161 WeakPolarHBondContact O-CD2 3.4Å; F159-Y161 WeakPolarHBondContact O-CE2 3.23Å
160	I	92.7	Very high	95.2	Very high	20 Å²	20	46.6 Å²	46.6	10%	0.103	24%	0.241	C	C	.	.			trans	-91	129.8	-177.9	-61.1	173.1	0	0	0	110.3	A156 S157 N162 L165 F166 I169 R229	A156-I160 WeakPolarHBondContact O-CG1 3.43Å; S157-I160 PolarHBondContact O-N 2.83Å; I160-N162 HydrophobicContact CG2-CB 4.46Å; I160-N162 WeakPolarHBondContact CG2-O 3.27Å; I160-L165 HydrophobicContact CD1-CD2 4.36Å; I160-L165 HydrophobicContact CD1-CG 4.11Å; I160-L165 HydrophobicContact CG1-CD2 4.47Å; I160-L165 HydrophobicContact CG2-CB 3.9Å; I160-L165 HydrophobicContact CG2-CD2 4.15Å; I160-L165 HydrophobicContact CG2-CG 4.19Å; I160-F166 HydrophobicContact CB-CB 4.34Å; I160-F166 HydrophobicContact CG2-CB 3.95Å; I160-I169 HydrophobicContact CD1-CB 3.83Å; I160-I169 HydrophobicContact CD1-CG1 3.76Å; I160-I169 HydrophobicContact CD1-CG2 4.15Å; I160-R229 PolarHBondContact O-NH2 3.5Å
161	Y	89.7	Confident	95.2	Very high	184 Å²	184	46.6 Å²	46.6	72%	0.722	24%	0.241	S	C	*	.			trans	-105.5	-11.5	176.6	-62.1	-87.5	0	0	0	113.1	F105 F159	F105-Y161 WeakPolarHBondContact CE1-O 3.28Å; F159-Y161 WeakPolarHBondContact O-CD2 3.4Å; F159-Y161 WeakPolarHBondContact O-CE2 3.23Å
162	N	92.4	Very high	95.1	Very high	87 Å²	87	48.2 Å²	48.2	47%	0.465	25%	0.249	S	C	.	.			trans	-93.3	124	174.3	178.1	-72.6	0	0	0	109.7	I160 D164 L165 F166	I160-N162 HydrophobicContact CG2-CB 4.46Å; I160-N162 WeakPolarHBondContact CG2-O 3.27Å; N162-D164 PolarHBondContact O-N 3.32Å; N162-D164 WeakPolarHBondContact OD1-CB 3.37Å; N162-D164 PolarHBondContact OD1-N 3.39Å; N162-L165 HydrophobicContact CB-CB 4.13Å; N162-L165 PolarHBondContact O-N 2.95Å; N162-L165 PolarHBondContact OD1-N 3.18Å; N162-F166 WeakPolarHBondContact O-CB 3.33Å; N162-F166 PolarHBondContact O-N 3.27Å
163	L	91.3	Very high	95.1	Very high	18 Å²	18	45.7 Å²	45.7	9%	0.094	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-44.9	-176	-179.6	61.1	0	0	0	113	F105 A107 Q111 M112 L165 F166 I167	F105-L163 HydrophobicContact CB-CD1 4.48Å; F105-L163 HydrophobicContact CB-CD2 4.37Å; F105-L163 HydrophobicContact CD1-CB 3.88Å; F105-L163 HydrophobicContact CD1-CD1 4.3Å; F105-L163 HydrophobicContact CD2-CD1 3.94Å; F105-L163 HydrophobicContact CE1-CB 4.19Å; F105-L163 HydrophobicContact CE2-CD1 4.17Å; F105-L163 HydrophobicContact CG-CB 4.28Å; F105-L163 HydrophobicContact CG-CD1 4Å; F105-L163 HydrophobicContact CZ-CD1 4.44Å; A107-L163 HydrophobicContact CB-CD2 3.31Å; Q111-L163 HydrophobicContact CB-CD2 3.92Å; M112-L163 HydrophobicContact CE-CD1 3.52Å; M112-L163 HydrophobicContact CE-CD2 4.38Å; M112-L163 HydrophobicContact SD-CD1 3.93Å; M112-L163 HydrophobicContact SD-CD2 3.72Å; M112-L163 HydrophobicContact SD-CG 4.49Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L163-L165 PolarHBondContact O-N 3.17Å; L163-F166 HydrophobicContact CD1-CD1 4.36Å; L163-F166 WeakPolarHBondContact O-CB 3.3Å; L163-F166 PolarHBondContact O-N 3.21Å; L163-I167 HydrophobicContact CD1-CD1 4.02Å; L163-I167 HydrophobicContact CD1-CG1 4.24Å; L163-I167 HydrophobicContact CD2-CD1 4.43Å; L163-I167 HydrophobicContact CG-CD1 3.76Å; L163-I167 HydrophobicContact CG-CG1 4.42Å; L163-I167 VanDerWaalsContact O-CG1 3.26Å; L163-I167 WeakPolarHBondContact O-CG1 3.47Å; L163-I167 PolarHBondContact O-N 2.99Å
164	D	93.2	Very high	95	Very high	96 Å²	96	45.1 Å²	45.1	51%	0.513	23%	0.231	S	C	.	.	H	α-helix	trans	-64.2	-41.6	-177.7	-58.4	-39.9	0	0	0	111	N162 I167 V168	N162-D164 PolarHBondContact O-N 3.32Å; N162-D164 WeakPolarHBondContact OD1-CB 3.37Å; N162-D164 PolarHBondContact OD1-N 3.39Å; D164-I167 PolarHBondContact O-N 3.09Å; D164-V168 WeakPolarHBondContact O-CG2 3.3Å; D164-V168 PolarHBondContact O-N 3.14Å
165	L	95.4	Very high	95	Very high	90 Å²	90	45.1 Å²	45.1	47%	0.471	23%	0.231	S	C	.	.	H	α-helix	trans	-68.1	-36.3	175.7	-168.4	67.5	0	0	0	111.6	I160 N162 L163 V168 I169	I160-L165 HydrophobicContact CD1-CD2 4.36Å; I160-L165 HydrophobicContact CD1-CG 4.11Å; I160-L165 HydrophobicContact CG1-CD2 4.47Å; I160-L165 HydrophobicContact CG2-CB 3.9Å; I160-L165 HydrophobicContact CG2-CD2 4.15Å; I160-L165 HydrophobicContact CG2-CG 4.19Å; N162-L165 HydrophobicContact CB-CB 4.13Å; N162-L165 PolarHBondContact O-N 2.95Å; N162-L165 PolarHBondContact OD1-N 3.18Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L163-L165 PolarHBondContact O-N 3.17Å; L165-V168 PolarHBondContact O-N 3.41Å; L165-I169 HydrophobicContact CD1-CG1 4.37Å; L165-I169 HydrophobicContact CG-CG1 4.41Å; L165-I169 WeakPolarHBondContact O-CB 3.24Å; L165-I169 WeakPolarHBondContact O-CG1 3.46Å; L165-I169 PolarHBondContact O-N 2.91Å
166	F	94.8	Very high	95	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-48	173	168.6	-94.9	0	0	0	110.1	L101 S157 I160 N162 L163 V168 I169 F170 W228 I232	L101-F166 HydrophobicContact CD2-CE1 4.35Å; L101-F166 HydrophobicContact CD2-CZ 4.48Å; S157-F166 WeakPolarHBondContact O-CD2 3.38Å; I160-F166 HydrophobicContact CB-CB 4.34Å; I160-F166 HydrophobicContact CG2-CB 3.95Å; N162-F166 WeakPolarHBondContact O-CB 3.33Å; N162-F166 PolarHBondContact O-N 3.27Å; L163-F166 HydrophobicContact CD1-CD1 4.36Å; L163-F166 WeakPolarHBondContact O-CB 3.3Å; L163-F166 PolarHBondContact O-N 3.21Å; F166-V168 PolarHBondContact O-N 3.21Å; F166-I169 PolarHBondContact O-N 2.62Å; F166-F170 HydrophobicContact CD2-CB 4.44Å; F166-F170 HydrophobicContact CE1-CB 4.43Å; F166-F170 HydrophobicContact CE1-CG 4.49Å; F166-F170 HydrophobicContact CE2-CB 4.15Å; F166-F170 HydrophobicContact CE2-CD2 4.24Å; F166-F170 HydrophobicContact CE2-CG 4.28Å; F166-F170 HydrophobicContact CZ-CB 4.15Å; F166-F170 HydrophobicContact CZ-CD1 4.43Å; F166-F170 HydrophobicContact CZ-CD2 4.16Å; F166-F170 AromaticContact CZ-CG 3.99Å; F166-F170 HydrophobicContact CZ-CG 3.99Å; F166-F170 WeakPolarHBondContact O-CB 3.47Å; F166-F170 PolarHBondContact O-N 3.4Å; F166-W228 HydrophobicContact CD2-CH2 4.33Å; F166-W228 HydrophobicContact CD2-CZ3 4.21Å; F166-W228 HydrophobicContact CE2-CH2 4.21Å; F166-W228 AromaticContact CE2-CZ3 3.65Å; F166-W228 HydrophobicContact CE2-CZ3 3.65Å; F166-W228 HydrophobicContact CZ-CZ3 4.07Å; F166-I232 HydrophobicContact CE2-CD1 4.05Å; F166-I232 HydrophobicContact CZ-CD1 4.01Å
167	I	95.4	Very high	95	Very high	9 Å²	9	43 Å²	43	5%	0.046	21%	0.214	C	C	.	.	H	α-helix	trans	-59.7	-44	178.1	-71	163.9	0	0	0	111.5	Q111 L114 L118 L163 D164 G171	Q111-I167 VanDerWaalsContact O-CD1 3.31Å; Q111-I167 WeakPolarHBondContact O-CD1 3.4Å; L114-I167 HydrophobicContact CB-CD1 3.99Å; L114-I167 HydrophobicContact CB-CG1 4.34Å; L114-I167 HydrophobicContact CB-CG2 3.77Å; L114-I167 HydrophobicContact CD1-CD1 4.42Å; L118-I167 HydrophobicContact CD1-CG2 3.46Å; L118-I167 VanDerWaalsContact CD1-CG2 3.46Å; L163-I167 HydrophobicContact CD1-CD1 4.02Å; L163-I167 HydrophobicContact CD1-CG1 4.24Å; L163-I167 HydrophobicContact CD2-CD1 4.43Å; L163-I167 HydrophobicContact CG-CD1 3.76Å; L163-I167 HydrophobicContact CG-CG1 4.42Å; L163-I167 VanDerWaalsContact O-CG1 3.26Å; L163-I167 WeakPolarHBondContact O-CG1 3.47Å; L163-I167 PolarHBondContact O-N 2.99Å; D164-I167 PolarHBondContact O-N 3.09Å; I167-G171 WeakPolarHBondContact O-CA 3.39Å; I167-G171 PolarHBondContact O-N 3.45Å
168	V	96.1	Very high	95.1	Very high	65 Å²	65	43 Å²	43	39%	0.394	21%	0.214	S	C	.	.	I	π-helix	trans	-65.4	-49	179.6	169.5	0	0	0	0	111.3	D164 L165 F166 I172 C173	D164-V168 WeakPolarHBondContact O-CG2 3.3Å; D164-V168 PolarHBondContact O-N 3.14Å; L165-V168 PolarHBondContact O-N 3.41Å; F166-V168 PolarHBondContact O-N 3.21Å; V168-I172 WeakPolarHBondContact O-CA 3.37Å; V168-I172 VanDerWaalsContact O-CB 3.3Å; V168-I172 WeakPolarHBondContact O-CB 3.35Å; V168-I172 PolarHBondContact O-N 3.42Å; V168-C173 PolarHBondContact O-N 3.46Å
169	I	97.4	Very high	95	Very high	43 Å²	43	42.7 Å²	42.7	22%	0.221	21%	0.212	C	C	.	.	I	π-helix	trans	-72.5	-49	-176.3	-64.4	-62.4	0	0	0	111.2	S153 A156 I160 L165 F166 C173 G174	S153-I169 WeakPolarHBondContact CB-O 3.45Å; S153-I169 VanDerWaalsContact O-CG2 3.28Å; S153-I169 WeakPolarHBondContact O-CG2 3.48Å; A156-I169 HydrophobicContact CB-CG2 4.08Å; I160-I169 HydrophobicContact CD1-CB 3.83Å; I160-I169 HydrophobicContact CD1-CG1 3.76Å; I160-I169 HydrophobicContact CD1-CG2 4.15Å; L165-I169 HydrophobicContact CD1-CG1 4.37Å; L165-I169 HydrophobicContact CG-CG1 4.41Å; L165-I169 WeakPolarHBondContact O-CB 3.24Å; L165-I169 WeakPolarHBondContact O-CG1 3.46Å; L165-I169 PolarHBondContact O-N 2.91Å; F166-I169 PolarHBondContact O-N 2.62Å; I169-C173 WeakPolarHBondContact O-CB 3.47Å; I169-G174 PolarHBondContact O-N 2.9Å; I169-G174 VanDerWaalsContact O-N 3.14Å
170	F	96.3	Very high	94.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-66.9	-47.2	179.2	-177.1	-90.5	0	0	0	111.6	M90 Y94 L119 I154 F166 G174 I232	M90-F170 HydrophobicContact CE-CZ 3.85Å; Y94-F170 AromaticContact CD2-CE1 3.68Å; Y94-F170 HydrophobicContact CD2-CE1 3.68Å; Y94-F170 HydrophobicContact CD2-CZ 4.12Å; Y94-F170 HydrophobicContact CE2-CD1 4.12Å; Y94-F170 AromaticContact CE2-CE1 3.44Å; Y94-F170 HydrophobicContact CE2-CE1 3.44Å; Y94-F170 VanDerWaalsContact CE2-CE1 3.44Å; Y94-F170 HydrophobicContact CE2-CZ 4.08Å; L119-F170 HydrophobicContact CB-CE1 4.46Å; L119-F170 HydrophobicContact CD2-CE1 3.76Å; L119-F170 HydrophobicContact CD2-CZ 4.06Å; I154-F170 HydrophobicContact CG1-CD2 4.48Å; I154-F170 HydrophobicContact CG1-CE2 4.39Å; I154-F170 HydrophobicContact CG2-CE2 4.35Å; F166-F170 HydrophobicContact CD2-CB 4.44Å; F166-F170 HydrophobicContact CE1-CB 4.43Å; F166-F170 HydrophobicContact CE1-CG 4.49Å; F166-F170 HydrophobicContact CE2-CB 4.15Å; F166-F170 HydrophobicContact CE2-CD2 4.24Å; F166-F170 HydrophobicContact CE2-CG 4.28Å; F166-F170 HydrophobicContact CZ-CB 4.15Å; F166-F170 HydrophobicContact CZ-CD1 4.43Å; F166-F170 HydrophobicContact CZ-CD2 4.16Å; F166-F170 AromaticContact CZ-CG 3.99Å; F166-F170 HydrophobicContact CZ-CG 3.99Å; F166-F170 WeakPolarHBondContact O-CB 3.47Å; F166-F170 PolarHBondContact O-N 3.4Å; F170-G174 WeakPolarHBondContact O-CA 3.36Å; F170-I232 HydrophobicContact CE2-CD1 4.22Å; F170-I232 HydrophobicContact CE2-CG2 4.36Å
171	G	96.1	Very high	95.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	I	π-helix	trans	-77.2	-66	-175.7	0	0	0	0	0	113	G115 L118 L119 I167 G175	G115-G171 WeakPolarHBondContact O-CA 3.34Å; L118-G171 CarbonylContact C-O 3.49Å; L119-G171 VanDerWaalsContact CA-O 3.23Å; L119-G171 WeakPolarHBondContact CA-O 3.28Å; L119-G171 PolarHBondContact N-O 2.71Å; I167-G171 WeakPolarHBondContact O-CA 3.39Å; I167-G171 PolarHBondContact O-N 3.45Å; G171-G175 WeakPolarHBondContact O-CA 3.14Å; G171-G175 PolarHBondContact O-N 3.3Å
172	I	96.8	Very high	95.1	Very high	45 Å²	45	28 Å²	28	23%	0.231	15%	0.151	C	C	.	.	I	π-helix	trans	-71.9	-54.7	-171.5	-58.2	179.1	0	0	0	111	L118 F122 V168 G175 I176	L118-I172 HydrophobicContact CB-CG1 4.35Å; L118-I172 HydrophobicContact CD1-CG1 4.27Å; L118-I172 HydrophobicContact CD2-CG1 4.35Å; F122-I172 HydrophobicContact CD1-CG2 3.88Å; F122-I172 HydrophobicContact CD2-CG1 4.13Å; F122-I172 HydrophobicContact CD2-CG2 4.45Å; F122-I172 HydrophobicContact CE1-CG2 3.65Å; F122-I172 HydrophobicContact CE2-CB 4.47Å; F122-I172 HydrophobicContact CE2-CD1 4.26Å; F122-I172 HydrophobicContact CE2-CG1 3.79Å; F122-I172 HydrophobicContact CE2-CG2 4.28Å; F122-I172 HydrophobicContact CG-CG2 4.26Å; F122-I172 HydrophobicContact CZ-CD1 4.22Å; F122-I172 HydrophobicContact CZ-CG1 4.07Å; F122-I172 HydrophobicContact CZ-CG2 3.87Å; V168-I172 WeakPolarHBondContact O-CA 3.37Å; V168-I172 VanDerWaalsContact O-CB 3.3Å; V168-I172 WeakPolarHBondContact O-CB 3.35Å; V168-I172 PolarHBondContact O-N 3.42Å; I172-G175 PolarHBondContact O-N 3.1Å; I172-I176 HydrophobicContact CG2-CD1 4.04Å; I172-I176 VanDerWaalsContact O-CG1 3.29Å; I172-I176 WeakPolarHBondContact O-CG1 3.45Å; I172-I176 PolarHBondContact O-N 2.93Å
173	C	96.8	Very high	94.8	Very high	40 Å²	40	24.3 Å²	24.3	27%	0.27	13%	0.132	S	C	.	.	I	π-helix	trans	-67.8	-41.2	-178.1	-57.6	0	0	0	0	111.7	S153 V168 I169 G177	S153-C173 VanDerWaalsContact OG-CB 3.23Å; S153-C173 WeakPolarHBondContact OG-CB 3.18Å; V168-C173 PolarHBondContact O-N 3.46Å; I169-C173 WeakPolarHBondContact O-CB 3.47Å; C173-G177 PolarHBondContact O-N 3.03Å; C173-G177 VanDerWaalsContact O-N 3.15Å
174	G	97.1	Very high	94.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.7	-44.4	172.3	0	0	0	0	0	112.6	I169 F170 G177 Y178	I169-G174 PolarHBondContact O-N 2.9Å; I169-G174 VanDerWaalsContact O-N 3.14Å; F170-G174 WeakPolarHBondContact O-CA 3.36Å; G174-G177 PolarHBondContact O-N 3.39Å; G174-G177 VanDerWaalsContact O-N 3.16Å; G174-Y178 PolarHBondContact O-N 3.38Å
175	G	96.9	Very high	94.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.9	-41.2	-179.6	0	0	0	0	0	113.1	L119 Y123 G171 I172 G177 Y178 G179	L119-G175 VanDerWaalsContact O-CA 3.25Å; L119-G175 WeakPolarHBondContact O-CA 3.25Å; Y123-G175 VanDerWaalsContact CA-O 3.27Å; Y123-G175 WeakPolarHBondContact CA-O 3.08Å; Y123-G175 PolarHBondContact N-O 2.95Å; G171-G175 WeakPolarHBondContact O-CA 3.14Å; G171-G175 PolarHBondContact O-N 3.3Å; I172-G175 PolarHBondContact O-N 3.1Å; G175-G177 VanDerWaalsContact C-N 3.31Å; G175-G177 PolarHBondContact O-N 3.29Å; G175-Y178 PolarHBondContact O-N 2.86Å; G175-G179 PolarHBondContact O-N 3.38Å
176	I	95.9	Very high	93.9	Very high	59 Å²	59	15.4 Å²	15.4	30%	0.303	9%	0.087	S	C	.	.	H	α-helix	trans	-58.9	-45.2	172.2	-67.3	162.8	0	0	0	110.5	F122 V126 I172 G179 C180	F122-I176 HydrophobicContact CD1-CD1 4.48Å; F122-I176 HydrophobicContact CD1-CG1 4.13Å; V126-I176 HydrophobicContact CG1-CG2 4.49Å; V126-I176 HydrophobicContact CG2-CB 4.41Å; V126-I176 HydrophobicContact CG2-CG1 3.86Å; I172-I176 HydrophobicContact CG2-CD1 4.04Å; I172-I176 VanDerWaalsContact O-CG1 3.29Å; I172-I176 WeakPolarHBondContact O-CG1 3.45Å; I172-I176 PolarHBondContact O-N 2.93Å; I176-G179 PolarHBondContact O-N 3.09Å; I176-C180 PolarHBondContact O-N 2.98Å; I176-C180 PolarHBondContact O-SG 3.19Å
177	G	97	Very high	93.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.8	-44	176.1	0	0	0	0	0	112.6	G146 C173 G174 G175 C180 I181	G146-G177 WeakPolarHBondContact O-CA 3.47Å; C173-G177 PolarHBondContact O-N 3.03Å; C173-G177 VanDerWaalsContact O-N 3.15Å; G174-G177 PolarHBondContact O-N 3.39Å; G174-G177 VanDerWaalsContact O-N 3.16Å; G175-G177 VanDerWaalsContact C-N 3.31Å; G175-G177 PolarHBondContact O-N 3.29Å; G177-C180 WeakPolarHBondContact O-CB 3.37Å; G177-C180 PolarHBondContact O-N 2.54Å; G177-I181 WeakPolarHBondContact O-CG1 3.36Å; G177-I181 PolarHBondContact O-N 3.43Å
178	Y	97.1	Very high	92.6	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-66.3	-36.3	177.1	-80.9	7.8	0	0	0	113.2	V87 M90 L119 S150 I154 G174 G175 C180 I181 Y182 N239	V87-Y178 HydrophobicContact CB-CD2 4.48Å; V87-Y178 HydrophobicContact CG1-CD2 3.75Å; V87-Y178 HydrophobicContact CG1-CE2 4.34Å; V87-Y178 HydrophobicContact CG1-CG 3.89Å; V87-Y178 HydrophobicContact CG2-CD1 4.22Å; V87-Y178 HydrophobicContact CG2-CE1 4.42Å; V87-Y178 HydrophobicContact CG2-CG 4.3Å; M90-Y178 HydrophobicContact CB-CE2 4Å; M90-Y178 HydrophobicContact CG-CE2 4.01Å; L119-Y178 HydrophobicContact CD1-CD2 3.78Å; L119-Y178 HydrophobicContact CD1-CE2 4.07Å; L119-Y178 HydrophobicContact CD1-CG 4.38Å; L119-Y178 HydrophobicContact CD2-CD2 4.47Å; L119-Y178 HydrophobicContact CD2-CE2 4.19Å; L119-Y178 HydrophobicContact CG-CD2 4.23Å; L119-Y178 HydrophobicContact CG-CE2 4.43Å; S150-Y178 VanDerWaalsContact CB-CD1 3.45Å; I154-Y178 HydrophobicContact CD1-CE1 3.98Å; I154-Y178 WeakPolarHBondContact CD1-OH 3.3Å; G174-Y178 PolarHBondContact O-N 3.38Å; G175-Y178 PolarHBondContact O-N 2.86Å; Y178-C180 VanDerWaalsContact C-N 3.28Å; Y178-C180 PolarHBondContact O-N 2.94Å; Y178-I181 HydrophobicContact CD1-CD1 4.05Å; Y178-I181 HydrophobicContact CE1-CD1 4.49Å; Y178-I181 PolarHBondContact O-N 3.25Å; Y178-Y182 WeakPolarHBondContact O-CB 3.41Å; Y178-Y182 PolarHBondContact O-N 3.08Å; Y178-N239 WeakPolarHBondContact CE1-OD1 3.5Å; Y178-N239 PolarHBondContact OH-OD1 3.33Å
179	G	92.5	Very high	91.8	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-58.5	-40.5	171.9	0	0	0	0	0	112.3	Y123 G175 I176 I181 L183	Y123-G179 WeakPolarHBondContact O-CA 3.4Å; G175-G179 PolarHBondContact O-N 3.38Å; I176-G179 PolarHBondContact O-N 3.09Å; G179-I181 PolarHBondContact O-N 3.08Å; G179-L183 PolarHBondContact O-N 2.75Å
180	C	92.5	Very high	90.8	Very high	9 Å²	9	10.9 Å²	10.9	6%	0.061	6%	0.062	C	C	.	.	H	α-helix	trans	-70	-10.7	174.6	-67.9	0	0	0	0	114.2	V130 V142 I176 G177 Y178 P184	V130-C180 HydrophobicContact CG2-CB 4.48Å; V142-C180 HydrophobicContact CG1-CB 4.16Å; I176-C180 PolarHBondContact O-N 2.98Å; I176-C180 PolarHBondContact O-SG 3.19Å; G177-C180 WeakPolarHBondContact O-CB 3.37Å; G177-C180 PolarHBondContact O-N 2.54Å; Y178-C180 VanDerWaalsContact C-N 3.28Å; Y178-C180 PolarHBondContact O-N 2.94Å; C180-P184 WeakPolarHBondContact O-CD 3.29Å; C180-P184 WeakPolarHBondContact O-CG 3.07Å
181	I	95.4	Very high	89.6	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-100.3	-51.1	175.6	-61.8	166.8	0	0	0	110.3	C83 V87 V143 S150 G177 Y178 G179 P184 A185 C242	C83-I181 HydrophobicContact CB-CG2 3.87Å; V87-I181 HydrophobicContact CG2-CB 4.08Å; V87-I181 HydrophobicContact CG2-CD1 4.31Å; V87-I181 HydrophobicContact CG2-CG2 3.69Å; V143-I181 HydrophobicContact CG1-CG2 4.39Å; S150-I181 WeakPolarHBondContact OG-CD1 3.44Å; G177-I181 WeakPolarHBondContact O-CG1 3.36Å; G177-I181 PolarHBondContact O-N 3.43Å; Y178-I181 HydrophobicContact CD1-CD1 4.05Å; Y178-I181 HydrophobicContact CE1-CD1 4.49Å; Y178-I181 PolarHBondContact O-N 3.25Å; G179-I181 PolarHBondContact O-N 3.08Å; I181-P184 WeakPolarHBondContact O-CD 3.39Å; I181-A185 WeakPolarHBondContact O-CB 3.45Å; I181-A185 PolarHBondContact O-N 3.06Å; I181-A185 VanDerWaalsContact O-N 3.17Å; I181-C242 HydrophobicContact CD1-CB 4.16Å; I181-C242 HydrophobicContact CG2-CB 4.21Å
182	Y	91	Very high	88.8	Confident	24 Å²	24	12.8 Å²	12.8	9%	0.094	7%	0.073	C	C	.	.	H	α-helix	trans	-61.1	-52.7	-173.7	175.8	-88.6	0	0	0	111.9	M84 Y123 Y178 A185 A186	M84-Y182 HydrophobicContact CE-CD2 3.63Å; M84-Y182 HydrophobicContact CE-CE2 3.57Å; M84-Y182 HydrophobicContact CE-CG 4.23Å; M84-Y182 HydrophobicContact SD-CD2 3.46Å; M84-Y182 WeakPolarHBondContact SD-CD2 3.16Å; M84-Y182 HydrophobicContact SD-CE2 3.35Å; M84-Y182 WeakPolarHBondContact SD-CE2 3.36Å; Y123-Y182 HydrophobicContact CD2-CD1 4.21Å; Y123-Y182 HydrophobicContact CD2-CG 4.03Å; Y123-Y182 AromaticContact CE2-CD1 3.5Å; Y123-Y182 HydrophobicContact CE2-CD1 3.5Å; Y123-Y182 VanDerWaalsContact CE2-CD1 3.5Å; Y123-Y182 AromaticContact CE2-CD2 3.75Å; Y123-Y182 HydrophobicContact CE2-CD2 3.75Å; Y123-Y182 AromaticContact CE2-CE1 3.88Å; Y123-Y182 HydrophobicContact CE2-CE1 3.88Å; Y123-Y182 HydrophobicContact CE2-CE2 4.12Å; Y123-Y182 AromaticContact CE2-CG 3.44Å; Y123-Y182 HydrophobicContact CE2-CG 3.44Å; Y123-Y182 VanDerWaalsContact CE2-CG 3.44Å; Y178-Y182 WeakPolarHBondContact O-CB 3.41Å; Y178-Y182 PolarHBondContact O-N 3.08Å; Y182-A185 PolarHBondContact O-N 2.86Å; Y182-A186 WeakPolarHBondContact O-CB 3.34Å; Y182-A186 PolarHBondContact O-N 3.39Å
183	L	86	Confident	87.7	Confident	9 Å²	9	10.7 Å²	10.7	5%	0.047	6%	0.063	C	C	.	.	H	α-helix	trans	-63.5	-51.3	-172.2	-164.7	74.7	0	0	0	111.4	G127 V130 G179 A185 A186 T187 F486	G127-L183 WeakPolarHBondContact O-CD2 3.18Å; V130-L183 HydrophobicContact CB-CB 4.38Å; V130-L183 HydrophobicContact CB-CD2 3.75Å; V130-L183 HydrophobicContact CG1-CB 3.88Å; V130-L183 HydrophobicContact CG1-CD2 3.85Å; V130-L183 HydrophobicContact CG1-CG 4.45Å; G179-L183 PolarHBondContact O-N 2.75Å; L183-A185 VanDerWaalsContact C-N 3.3Å; L183-A185 PolarHBondContact O-N 3.11Å; L183-A186 PolarHBondContact O-N 3.47Å; L183-T187 WeakPolarHBondContact O-CG2 3.2Å; L183-T187 PolarHBondContact O-N 3.46Å; L183-T187 PolarHBondContact O-OG1 2.72Å; L183-T187 VanDerWaalsContact O-OG1 3.05Å; L183-F486 HydrophobicContact CD1-CE1 3.82Å
184	P	86.6	Confident	86.3	Confident	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.3	-36.3	177.8	-26	39.6	0	0	0	113.3	V130 L134 V142 V143 C180 I181 T187 V188	V130-P184 HydrophobicContact CG1-CG 3.82Å; L134-P184 HydrophobicContact CD1-CB 4.46Å; L134-P184 HydrophobicContact CD1-CG 4.24Å; L134-P184 HydrophobicContact CD2-CB 3.5Å; L134-P184 HydrophobicContact CD2-CG 3.55Å; L134-P184 HydrophobicContact CG-CB 4.43Å; L134-P184 HydrophobicContact CG-CG 4.09Å; V142-P184 HydrophobicContact CB-CG 4.18Å; V142-P184 HydrophobicContact CG1-CG 3.7Å; V143-P184 HydrophobicContact CG2-CB 3.49Å; V143-P184 VanDerWaalsContact CG2-CB 3.49Å; V143-P184 HydrophobicContact CG2-CG 3.98Å; C180-P184 WeakPolarHBondContact O-CD 3.29Å; C180-P184 WeakPolarHBondContact O-CG 3.07Å; I181-P184 WeakPolarHBondContact O-CD 3.39Å; P184-T187 PolarHBondContact O-N 3.44Å; P184-V188 WeakPolarHBondContact O-CB 3.26Å; P184-V188 VanDerWaalsContact O-CG1 3.24Å; P184-V188 WeakPolarHBondContact O-CG1 3.13Å; P184-V188 PolarHBondContact O-N 3.19Å
185	A	90.7	Very high	84.8	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.1	-39.2	177.2	0	0	0	0	0	111.8	S80 C83 M84 I181 Y182 L183 F249	S80-A185 VanDerWaalsContact CB-O 3.29Å; S80-A185 WeakPolarHBondContact CB-O 3.5Å; S80-A185 PolarHBondContact OG-O 2.94Å; S80-A185 VanDerWaalsContact OG-O 3.07Å; C83-A185 HydrophobicContact CB-CB 3.83Å; M84-A185 HydrophobicContact CE-CB 4.42Å; I181-A185 WeakPolarHBondContact O-CB 3.45Å; I181-A185 PolarHBondContact O-N 3.06Å; I181-A185 VanDerWaalsContact O-N 3.17Å; Y182-A185 PolarHBondContact O-N 2.86Å; L183-A185 VanDerWaalsContact C-N 3.3Å; L183-A185 PolarHBondContact O-N 3.11Å; A185-F249 HydrophobicContact CB-CE2 3.99Å; A185-F249 HydrophobicContact CB-CZ 3.88Å
186	A	84.6	Confident	83.6	Confident	18 Å²	18	21.2 Å²	21.2	15%	0.149	10%	0.101	C	C	.	.	H	α-helix	trans	-68.9	-36.2	175.7	0	0	0	0	0	112.5	M84 Y182 L183 M205	M84-A186 HydrophobicContact CE-CB 3.7Å; Y182-A186 WeakPolarHBondContact O-CB 3.34Å; Y182-A186 PolarHBondContact O-N 3.39Å; L183-A186 PolarHBondContact O-N 3.47Å; A186-M205 HydrophobicContact CB-CE 4Å
187	T	78.9	Confident	82.3	Confident	4 Å²	4	18.5 Å²	18.5	3%	0.025	9%	0.086	C	C	.	.	H	α-helix	trans	-94.7	-26.7	-171.9	61.2	0	0	0	0	114.3	L183 P184 V189 T190 L485 F486	L183-T187 WeakPolarHBondContact O-CG2 3.2Å; L183-T187 PolarHBondContact O-N 3.46Å; L183-T187 PolarHBondContact O-OG1 2.72Å; L183-T187 VanDerWaalsContact O-OG1 3.05Å; P184-T187 PolarHBondContact O-N 3.44Å; T187-V189 PolarHBondContact O-N 3Å; T187-T190 PolarHBondContact O-N 2.94Å; T187-T190 PolarHBondContact O-OG1 2.69Å; T187-L485 HydrophobicContact CG2-CD2 4.02Å; T187-L485 HydrophobicContact CG2-CG 4.01Å; T187-F486 HydrophobicContact CG2-CD1 4.11Å; T187-F486 HydrophobicContact CG2-CE1 3.79Å; T187-F486 HydrophobicContact CG2-CZ 4.34Å
188	V	82.9	Confident	80.8	Confident	9 Å²	9	19.1 Å²	19.1	6%	0.055	9%	0.091	C	C	.	.	H	α-helix	trans	-61.1	-33.6	-175.6	64.6	0	0	0	0	112.1	I76 P184 T190 S191 F249	I76-V188 HydrophobicContact CG2-CB 4.46Å; I76-V188 HydrophobicContact CG2-CG1 3.57Å; I76-V188 HydrophobicContact CG2-CG2 4.16Å; P184-V188 WeakPolarHBondContact O-CB 3.26Å; P184-V188 VanDerWaalsContact O-CG1 3.24Å; P184-V188 WeakPolarHBondContact O-CG1 3.13Å; P184-V188 PolarHBondContact O-N 3.19Å; V188-T190 PolarHBondContact O-N 2.79Å; V188-S191 WeakPolarHBondContact O-CB 3.41Å; V188-S191 PolarHBondContact O-N 2.88Å; V188-S191 VanDerWaalsContact O-N 3.13Å; V188-S191 PolarHBondContact O-OG 3.2Å; V188-F249 HydrophobicContact CG1-CD1 4.14Å; V188-F249 HydrophobicContact CG1-CD2 4.08Å; V188-F249 HydrophobicContact CG1-CE1 4.16Å; V188-F249 HydrophobicContact CG1-CE2 4.08Å; V188-F249 HydrophobicContact CG1-CG 4.11Å; V188-F249 HydrophobicContact CG1-CZ 4.13Å; V188-F249 HydrophobicContact CG2-CB 4.3Å; V188-F249 HydrophobicContact CG2-CG 4.44Å
189	V	80.4	Confident	79.6	Confident	2 Å²	2	23 Å²	23	1%	0.012	12%	0.115	C	C	.	.	H	α-helix	trans	-65.6	-27.4	-176	75.5	0	0	0	0	113.1	V77 T187 S191 W192 F193 V200 I204	V77-V189 HydrophobicContact CG2-CG2 3.89Å; T187-V189 PolarHBondContact O-N 3Å; V189-S191 PolarHBondContact O-N 2.89Å; V189-W192 PolarHBondContact O-N 3.19Å; V189-F193 HydrophobicContact CG2-CD2 3.69Å; V189-F193 HydrophobicContact CG2-CE2 4.11Å; V189-F193 PolarHBondContact O-N 2.88Å; V189-V200 HydrophobicContact CB-CG1 4.33Å; V189-V200 HydrophobicContact CG1-CG1 4.42Å; V189-V200 HydrophobicContact CG2-CB 4.44Å; V189-V200 HydrophobicContact CG2-CG1 3.11Å; V189-I204 HydrophobicContact CB-CD1 3.71Å; V189-I204 HydrophobicContact CG1-CD1 3.67Å; V189-I204 HydrophobicContact CG2-CD1 3.71Å
190	T	74.5	Confident	79	Confident	6 Å²	6	23 Å²	23	4%	0.037	12%	0.115	C	C	.	.	H	α-helix	trans	-74.7	-14.5	-178.4	72.1	0	0	0	0	111.8	T187 V188 L485	T187-T190 PolarHBondContact O-N 2.94Å; T187-T190 PolarHBondContact O-OG1 2.69Å; V188-T190 PolarHBondContact O-N 2.79Å; T190-L485 WeakPolarHBondContact CG2-O 3.21Å; T190-L485 VanDerWaalsContact OG1-CD1 3.31Å; T190-L485 WeakPolarHBondContact OG1-CD1 3.3Å; T190-L485 PolarHBondContact OG1-O 2.89Å
191	S	72	Confident	78.1	Confident	26 Å²	26	22.9 Å²	22.9	18%	0.182	11%	0.114	C	C	.	.	H	α-helix	trans	-76	-26.8	167.6	70.3	0	0	0	0	113	P67 V188 V189 L252	P67-S191 WeakPolarHBondContact CB-O 2.99Å; P67-S191 VanDerWaalsContact CG-O 3.28Å; P67-S191 WeakPolarHBondContact CG-O 3.15Å; V188-S191 WeakPolarHBondContact O-CB 3.41Å; V188-S191 PolarHBondContact O-N 2.88Å; V188-S191 VanDerWaalsContact O-N 3.13Å; V188-S191 PolarHBondContact O-OG 3.2Å; V189-S191 PolarHBondContact O-N 2.89Å; S191-L252 WeakPolarHBondContact O-CD1 3.3Å
192	W	78.2	Confident	77.1	Confident	15 Å²	15	24.1 Å²	24.1	6%	0.057	13%	0.127	C	C	.	.	H	α-helix	trans	-98.2	-22.4	-175.2	-77.5	79	0	0	0	114.5	P67 P68 D69 W72 G73 I76 V189 R250 L252	P67-W192 WeakPolarHBondContact CB-O 3.41Å; P68-W192 HydrophobicContact CG-CE3 3.61Å; P68-W192 HydrophobicContact CG-CZ3 3.83Å; D69-W192 PolarHBondContact N-O 2.65Å; W72-W192 HydrophobicContact CB-CH2 3.68Å; W72-W192 HydrophobicContact CB-CZ3 3.72Å; W72-W192 AromaticContact CD1-CH2 3.98Å; W72-W192 HydrophobicContact CG-CH2 4.14Å; G73-W192 VanDerWaalsContact CA-CE3 3.46Å; G73-W192 VanDerWaalsContact N-CE3 3.27Å; I76-W192 VanDerWaalsContact CD1-CD1 3.43Å; I76-W192 HydrophobicContact CD1-CD2 3.74Å; I76-W192 HydrophobicContact CD1-CG 3.88Å; I76-W192 HydrophobicContact CD1-CZ2 3.71Å; V189-W192 PolarHBondContact O-N 3.19Å; W192-R250 HydrophobicContact CZ2-CB 4.39Å; W192-R250 WeakPolarHBondContact CZ2-O 3.22Å; W192-R250 PolarHBondContact NE1-O 2.88Å; W192-L252 HydrophobicContact CD2-CD1 4.28Å; W192-L252 HydrophobicContact CD2-CD2 3.64Å; W192-L252 HydrophobicContact CD2-CG 3.89Å; W192-L252 VanDerWaalsContact CE2-CD2 3.48Å; W192-L252 HydrophobicContact CE3-CD2 3.71Å; W192-L252 HydrophobicContact CE3-CG 4.46Å; W192-L252 HydrophobicContact CG-CD1 4.23Å; W192-L252 HydrophobicContact CG-CD2 4.43Å; W192-L252 HydrophobicContact CG-CG 4.25Å; W192-L252 HydrophobicContact CH2-CD2 3.53Å; W192-L252 HydrophobicContact CH2-CG 4.4Å; W192-L252 HydrophobicContact CZ2-CD2 3.46Å; W192-L252 VanDerWaalsContact CZ2-CD2 3.46Å; W192-L252 HydrophobicContact CZ2-CG 3.83Å; W192-L252 HydrophobicContact CZ3-CD2 3.65Å
193	F	75.6	Confident	76.8	Confident	1 Å²	1	26.1 Å²	26.1	0%	0.004	14%	0.138	C	C	.	.			trans	-129.1	128.7	-178	-64.1	-87.9	0	0	0	111.7	D69 W74 V77 V189 K196 V200	D69-F193 VanDerWaalsContact C-CE1 3.47Å; D69-F193 WeakPolarHBondContact OD1-CA 3.12Å; W74-F193 HydrophobicContact CD2-CZ 4.18Å; W74-F193 HydrophobicContact CG-CZ 4.41Å; W74-F193 HydrophobicContact CZ2-CE1 4.36Å; V77-F193 HydrophobicContact CG2-CD2 4.37Å; V77-F193 HydrophobicContact CG2-CE2 3.56Å; V77-F193 HydrophobicContact CG2-CZ 4.02Å; V189-F193 HydrophobicContact CG2-CD2 3.69Å; V189-F193 HydrophobicContact CG2-CE2 4.11Å; V189-F193 PolarHBondContact O-N 2.88Å; F193-K196 HydrophobicContact CD1-CB 4.31Å; F193-V200 HydrophobicContact CB-CG2 4.47Å; F193-V200 HydrophobicContact CD1-CG2 3.91Å; F193-V200 HydrophobicContact CD2-CG1 3.99Å; F193-V200 HydrophobicContact CD2-CG2 4.14Å; F193-V200 HydrophobicContact CE1-CG2 4.09Å; F193-V200 HydrophobicContact CE2-CG1 4.27Å; F193-V200 HydrophobicContact CE2-CG2 4.32Å; F193-V200 HydrophobicContact CG-CB 4.48Å; F193-V200 HydrophobicContact CG-CG1 4.43Å; F193-V200 HydrophobicContact CG-CG2 3.92Å; F193-V200 HydrophobicContact CZ-CG2 4.29Å
194	V	66.6	Low	76.8	Confident	9 Å²	9	25.7 Å²	25.7	6%	0.055	14%	0.136	C	C	.	.	S	Bend	trans	-113.1	-58.1	175.9	173.7	0	0	0	0	108.9	P67 D69 R197 L491 I507	P67-V194 HydrophobicContact CB-CG2 3.77Å; P67-V194 HydrophobicContact CG-CG2 3.47Å; P67-V194 VanDerWaalsContact CG-CG2 3.47Å; D69-V194 PolarHBondContact OD1-N 3.35Å; V194-R197 WeakPolarHBondContact O-CB 3.27Å; V194-L491 HydrophobicContact CB-CD1 4.46Å; V194-L491 HydrophobicContact CG1-CD1 3.86Å; V194-I507 HydrophobicContact CG1-CD1 4.04Å; V194-I507 HydrophobicContact CG1-CG1 4.38Å; V194-I507 HydrophobicContact CG2-CD1 4.07Å
195	R	66.5	Low	76.8	Confident	143 Å²	143	26.6 Å²	26.6	54%	0.54	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-37.8	-175.2	-67.2	177.3	169.3	-176.9	-3.3	112.5	D69 S490 I492	D69-R195 PolarHBondContact OD1-N 2.77Å; D69-R195 VanDerWaalsContact OD1-N 3.16Å; D69-R195 VanDerWaalsContact OD2-CB 3.3Å; D69-R195 WeakPolarHBondContact OD2-CB 3.47Å; D69-R195 VanDerWaalsContact OD2-CG 3.29Å; D69-R195 WeakPolarHBondContact OD2-CG 3.41Å; D69-R195 PolarHBondContact OD2-N 3.41Å; R195-S490 PolarHBondContact O-OG 3.27Å; R195-I492 HydrophobicContact CB-CD1 4.28Å; R195-I492 HydrophobicContact CG-CD1 4.37Å
196	K	70	Confident	76.6	Confident	109 Å²	109	27 Å²	27	47%	0.474	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	14.2	-177.4	-61.8	-176.6	-178.7	178.5	0	113.7	F193 A198 T199 V200	F193-K196 HydrophobicContact CD1-CB 4.31Å; K196-A198 VanDerWaalsContact C-N 3.27Å; K196-A198 PolarHBondContact O-N 3.32Å; K196-T199 PolarHBondContact O-N 2.93Å; K196-V200 HydrophobicContact CB-CG2 4.3Å; K196-V200 WeakPolarHBondContact O-CB 3.32Å; K196-V200 WeakPolarHBondContact O-CG2 3.4Å; K196-V200 PolarHBondContact O-N 3.46Å
197	R	68.5	Low	77	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-55.1	-39.5	-171.8	-174.8	177.1	175.6	158.9	5	113.7	V194 T201 D484 L485 L487	V194-R197 WeakPolarHBondContact O-CB 3.27Å; R197-T201 WeakPolarHBondContact O-CB 3.31Å; R197-T201 PolarHBondContact O-N 2.97Å; R197-T201 PolarHBondContact O-OG1 3.34Å; R197-D484 PolarHBondContact NH1-O 2.8Å; R197-D484 VanDerWaalsContact NH1-O 3.13Å; R197-D484 IonicContact NH1-OD1 2.64Å; R197-D484 IonicContact NH1-OD2 3.42Å; R197-D484 PolarHBondContact NH1-OD2 3.06Å; R197-D484 PolarHBondContact NH2-O 3.34Å; R197-L485 PolarHBondContact NH2-O 3.49Å; R197-L487 PolarHBondContact NE-O 3.32Å; R197-L487 PolarHBondContact NH2-O 2.85Å
198	A	65.4	Low	77.6	Confident	12 Å²	12	25.9 Å²	25.9	10%	0.099	14%	0.135	C	C	.	.	H	α-helix	trans	-64.2	-54.7	177.3	0	0	0	0	0	113.7	K196 V200 T201 G202 S488	K196-A198 VanDerWaalsContact C-N 3.27Å; K196-A198 PolarHBondContact O-N 3.32Å; A198-V200 PolarHBondContact O-N 2.95Å; A198-T201 PolarHBondContact O-N 2.93Å; A198-G202 PolarHBondContact O-N 2.95Å; A198-S488 WeakPolarHBondContact CA-O 3.29Å; A198-S488 WeakPolarHBondContact CB-O 3.23Å
199	T	72.5	Confident	78	Confident	84 Å²	84	25.5 Å²	25.5	52%	0.515	13%	0.133	S	C	.	.	H	α-helix	trans	-55.9	-43.8	178.2	-46.1	0	0	0	0	110.8	K196 G202 I203	K196-T199 PolarHBondContact O-N 2.93Å; T199-G202 PolarHBondContact O-N 3.15Å; T199-I203 HydrophobicContact CG2-CD1 4.24Å; T199-I203 VanDerWaalsContact O-CG1 3.29Å; T199-I203 WeakPolarHBondContact O-CG1 3.46Å; T199-I203 PolarHBondContact O-N 3.24Å
200	V	79.6	Confident	78.7	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.2	-43.2	-179	170.2	0	0	0	0	112.2	W74 V77 V189 F193 K196 A198 G202 I203 I204	W74-V200 HydrophobicContact CH2-CG2 4.34Å; W74-V200 HydrophobicContact CZ3-CG2 4.42Å; V77-V200 HydrophobicContact CB-CG1 4.44Å; V77-V200 HydrophobicContact CG1-CG1 4.25Å; V77-V200 HydrophobicContact CG2-CB 4.5Å; V77-V200 HydrophobicContact CG2-CG1 3.38Å; V77-V200 HydrophobicContact CG2-CG2 4.39Å; V189-V200 HydrophobicContact CB-CG1 4.33Å; V189-V200 HydrophobicContact CG1-CG1 4.42Å; V189-V200 HydrophobicContact CG2-CB 4.44Å; V189-V200 HydrophobicContact CG2-CG1 3.11Å; F193-V200 HydrophobicContact CB-CG2 4.47Å; F193-V200 HydrophobicContact CD1-CG2 3.91Å; F193-V200 HydrophobicContact CD2-CG1 3.99Å; F193-V200 HydrophobicContact CD2-CG2 4.14Å; F193-V200 HydrophobicContact CE1-CG2 4.09Å; F193-V200 HydrophobicContact CE2-CG1 4.27Å; F193-V200 HydrophobicContact CE2-CG2 4.32Å; F193-V200 HydrophobicContact CG-CB 4.48Å; F193-V200 HydrophobicContact CG-CG1 4.43Å; F193-V200 HydrophobicContact CG-CG2 3.92Å; F193-V200 HydrophobicContact CZ-CG2 4.29Å; K196-V200 HydrophobicContact CB-CG2 4.3Å; K196-V200 WeakPolarHBondContact O-CB 3.32Å; K196-V200 WeakPolarHBondContact O-CG2 3.4Å; K196-V200 PolarHBondContact O-N 3.46Å; A198-V200 PolarHBondContact O-N 2.95Å; V200-G202 VanDerWaalsContact C-N 3.31Å; V200-G202 PolarHBondContact O-N 3.11Å; V200-I203 PolarHBondContact O-N 3.13Å; V200-I204 HydrophobicContact CG1-CD1 4.12Å; V200-I204 WeakPolarHBondContact O-CG1 3.3Å; V200-I204 PolarHBondContact O-N 3.09Å
201	T	74.3	Confident	79.7	Confident	7 Å²	7	28.1 Å²	28.1	4%	0.043	15%	0.146	C	C	.	.	H	α-helix	trans	-62.7	-42.4	174.3	-52.8	0	0	0	0	110.4	R197 A198 I203 I204 M205	R197-T201 WeakPolarHBondContact O-CB 3.31Å; R197-T201 PolarHBondContact O-N 2.97Å; R197-T201 PolarHBondContact O-OG1 3.34Å; A198-T201 PolarHBondContact O-N 2.93Å; T201-I203 PolarHBondContact O-N 3.01Å; T201-I204 PolarHBondContact O-N 3.25Å; T201-M205 HydrophobicContact CG2-CE 4.19Å; T201-M205 HydrophobicContact CG2-CG 4.04Å; T201-M205 VanDerWaalsContact O-CB 3.3Å; T201-M205 WeakPolarHBondContact O-CB 3.21Å; T201-M205 WeakPolarHBondContact O-CG 3.44Å; T201-M205 PolarHBondContact O-N 3.4Å
202	G	73.3	Confident	80.7	Confident	26 Å²	26	27 Å²	27	27%	0.268	14%	0.139	S	C	.	.	H	α-helix	trans	-58.2	-43	174.5	0	0	0	0	0	113.2	A198 T199 V200 M205 A206	A198-G202 PolarHBondContact O-N 2.95Å; T199-G202 PolarHBondContact O-N 3.15Å; V200-G202 VanDerWaalsContact C-N 3.31Å; V200-G202 PolarHBondContact O-N 3.11Å; G202-M205 PolarHBondContact O-N 2.91Å; G202-A206 WeakPolarHBondContact O-CB 3.37Å; G202-A206 PolarHBondContact O-N 3.01Å
203	I	84.8	Confident	81.5	Confident	66 Å²	66	28.1 Å²	28.1	34%	0.338	15%	0.147	S	C	.	.	H	α-helix	trans	-60.6	-51.6	174.9	-69.7	163.8	0	0	0	110.3	W74 V77 F81 T199 V200 T201 M205 A206	W74-I203 HydrophobicContact CZ3-CD1 4.16Å; V77-I203 HydrophobicContact CG1-CB 4.43Å; V77-I203 HydrophobicContact CG1-CG2 3.87Å; F81-I203 VanDerWaalsContact CD2-O 3.25Å; F81-I203 WeakPolarHBondContact CD2-O 3.25Å; T199-I203 HydrophobicContact CG2-CD1 4.24Å; T199-I203 VanDerWaalsContact O-CG1 3.29Å; T199-I203 WeakPolarHBondContact O-CG1 3.46Å; T199-I203 PolarHBondContact O-N 3.24Å; V200-I203 PolarHBondContact O-N 3.13Å; T201-I203 PolarHBondContact O-N 3.01Å; I203-M205 VanDerWaalsContact C-N 3.3Å; I203-M205 PolarHBondContact O-N 3.26Å; I203-A206 VanDerWaalsContact O-CB 3.31Å; I203-A206 WeakPolarHBondContact O-CB 3.36Å; I203-A206 PolarHBondContact O-N 3.29Å; I203-A206 VanDerWaalsContact O-N 3.12Å
204	I	87.8	Confident	82.5	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-57.7	-46.9	179.5	-70.9	165.1	0	0	0	110.6	V77 M84 V189 V200 T201 A206 G207	V77-I204 HydrophobicContact CG1-CD1 4.4Å; V77-I204 HydrophobicContact CG1-CG1 3.97Å; M84-I204 WeakPolarHBondContact CB-O 3.35Å; M84-I204 HydrophobicContact CE-CG2 4.15Å; M84-I204 HydrophobicContact CG-CG2 3.53Å; V189-I204 HydrophobicContact CB-CD1 3.71Å; V189-I204 HydrophobicContact CG1-CD1 3.67Å; V189-I204 HydrophobicContact CG2-CD1 3.71Å; V200-I204 HydrophobicContact CG1-CD1 4.12Å; V200-I204 WeakPolarHBondContact O-CG1 3.3Å; V200-I204 PolarHBondContact O-N 3.09Å; T201-I204 PolarHBondContact O-N 3.25Å; I204-A206 VanDerWaalsContact C-N 3.3Å; I204-A206 PolarHBondContact O-N 3.22Å; I204-G207 PolarHBondContact O-N 3.02Å
205	M	85.1	Confident	83.9	Confident	19 Å²	19	30.7 Å²	30.7	9%	0.094	16%	0.162	C	C	.	.	H	α-helix	trans	-68	-27	179.9	-66.1	-61.2	157.7	0	0	112	M84 A186 T201 G202 I203 G207 S208 R591	M84-M205 HydrophobicContact CE-CE 4Å; A186-M205 HydrophobicContact CB-CE 4Å; T201-M205 HydrophobicContact CG2-CE 4.19Å; T201-M205 HydrophobicContact CG2-CG 4.04Å; T201-M205 VanDerWaalsContact O-CB 3.3Å; T201-M205 WeakPolarHBondContact O-CB 3.21Å; T201-M205 WeakPolarHBondContact O-CG 3.44Å; T201-M205 PolarHBondContact O-N 3.4Å; G202-M205 PolarHBondContact O-N 2.91Å; I203-M205 VanDerWaalsContact C-N 3.3Å; I203-M205 PolarHBondContact O-N 3.26Å; M205-G207 PolarHBondContact O-N 3.04Å; M205-G207 VanDerWaalsContact O-N 3.16Å; M205-S208 PolarHBondContact O-N 3.32Å; M205-S208 PolarHBondContact O-OG 3.06Å; M205-R591 WeakPolarHBondContact O-CD 3.49Å; M205-R591 PolarHBondContact O-NH1 3.29Å
206	A	87.5	Confident	85.2	Confident	7 Å²	7	23.9 Å²	23.9	6%	0.058	14%	0.137	C	C	.	.	H	α-helix	trans	-60.2	-24.7	172.2	0	0	0	0	0	112.1	G202 I203 I204 S208 G209 I210 T588	G202-A206 WeakPolarHBondContact O-CB 3.37Å; G202-A206 PolarHBondContact O-N 3.01Å; I203-A206 VanDerWaalsContact O-CB 3.31Å; I203-A206 WeakPolarHBondContact O-CB 3.36Å; I203-A206 PolarHBondContact O-N 3.29Å; I203-A206 VanDerWaalsContact O-N 3.12Å; I204-A206 VanDerWaalsContact C-N 3.3Å; I204-A206 PolarHBondContact O-N 3.22Å; A206-S208 VanDerWaalsContact C-N 3.27Å; A206-S208 PolarHBondContact O-N 2.92Å; A206-G209 PolarHBondContact O-N 3.01Å; A206-I210 PolarHBondContact O-N 3.43Å; A206-T588 HydrophobicContact CB-CG2 4.03Å
207	G	91.6	Very high	86.4	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-55.7	-36.9	175.5	0	0	0	0	0	113.6	V85 I204 M205 G209 I210 G211	V85-G207 WeakPolarHBondContact CA-O 3.32Å; V85-G207 VanDerWaalsContact CG2-O 3.3Å; V85-G207 WeakPolarHBondContact CG2-O 3.46Å; I204-G207 PolarHBondContact O-N 3.02Å; M205-G207 PolarHBondContact O-N 3.04Å; M205-G207 VanDerWaalsContact O-N 3.16Å; G207-G209 VanDerWaalsContact C-N 3.31Å; G207-G209 PolarHBondContact O-N 3.34Å; G207-I210 PolarHBondContact O-N 3.18Å; G207-G211 PolarHBondContact O-N 2.75Å
208	S	91.5	Very high	87.6	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.1	-41.6	179.1	-42.7	0	0	0	0	112.8	D88 M205 A206 G211 G212 R591	D88-S208 WeakPolarHBondContact OD2-CB 3.25Å; D88-S208 PolarHBondContact OD2-OG 3.4Å; M205-S208 PolarHBondContact O-N 3.32Å; M205-S208 PolarHBondContact O-OG 3.06Å; A206-S208 VanDerWaalsContact C-N 3.27Å; A206-S208 PolarHBondContact O-N 2.92Å; S208-G211 PolarHBondContact O-N 3.43Å; S208-G212 PolarHBondContact O-N 2.55Å; S208-G212 VanDerWaalsContact O-N 3.13Å; S208-R591 PolarHBondContact OG-NH1 3.22Å
209	G	91.9	Very high	89	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-69.7	-42.2	179.6	0	0	0	0	0	111.9	A206 G207 G211 G212 V213 G584 T588	A206-G209 PolarHBondContact O-N 3.01Å; G207-G209 VanDerWaalsContact C-N 3.31Å; G207-G209 PolarHBondContact O-N 3.34Å; G209-G211 VanDerWaalsContact C-N 3.33Å; G209-G211 PolarHBondContact O-N 2.78Å; G209-G212 PolarHBondContact O-N 3.48Å; G209-V213 PolarHBondContact O-N 3.25Å; G209-V213 VanDerWaalsContact O-N 3.12Å; G209-G584 CarbonylContact C-O 3.6Å; G209-G584 WeakPolarHBondContact CA-O 3.1Å; G209-G584 CarbonylContact O-C 3.23Å; G209-G584 WeakPolarHBondContact O-CA 3.39Å; G209-T588 VanDerWaalsContact C-OG1 3.28Å; G209-T588 WeakPolarHBondContact CA-OG1 3.36Å
210	I	95.5	Very high	89.9	Confident	62 Å²	62	22.5 Å²	22.5	32%	0.318	13%	0.129	S	C	.	.	H	α-helix	trans	-63.4	-40	174.6	-67.3	167.2	0	0	0	110.8	F81 V85 A206 G207 G212 V213 V214 T588	F81-I210 HydrophobicContact CE2-CD1 3.98Å; F81-I210 HydrophobicContact CZ-CD1 3.59Å; V85-I210 HydrophobicContact CG2-CB 4.45Å; V85-I210 HydrophobicContact CG2-CG2 4.38Å; A206-I210 PolarHBondContact O-N 3.43Å; G207-I210 PolarHBondContact O-N 3.18Å; I210-G212 VanDerWaalsContact C-N 3.32Å; I210-G212 PolarHBondContact O-N 3.3Å; I210-V213 WeakPolarHBondContact O-CB 3.45Å; I210-V213 PolarHBondContact O-N 3.4Å; I210-V213 VanDerWaalsContact O-N 3.08Å; I210-V214 HydrophobicContact CG2-CG2 4.13Å; I210-V214 WeakPolarHBondContact O-CG2 3.1Å; I210-V214 PolarHBondContact O-N 3.07Å; I210-T588 HydrophobicContact CD1-CG2 4.02Å; I210-T588 HydrophobicContact CG1-CG2 3.88Å; I210-T588 PolarHBondContact N-OG1 3.48Å
211	G	95.5	Very high	90.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-54.6	-47.6	172.1	0	0	0	0	0	112.1	V85 G207 S208 G209 V213 V214 Y215	V85-G211 VanDerWaalsContact O-CA 3.24Å; V85-G211 WeakPolarHBondContact O-CA 3.48Å; G207-G211 PolarHBondContact O-N 2.75Å; S208-G211 PolarHBondContact O-N 3.43Å; G209-G211 VanDerWaalsContact C-N 3.33Å; G209-G211 PolarHBondContact O-N 2.78Å; G211-V213 VanDerWaalsContact C-N 3.32Å; G211-V213 PolarHBondContact O-N 3.28Å; G211-V214 PolarHBondContact O-N 3.04Å; G211-Y215 WeakPolarHBondContact O-CB 3.28Å; G211-Y215 VanDerWaalsContact O-CD2 3.31Å; G211-Y215 WeakPolarHBondContact O-CD2 3.27Å; G211-Y215 PolarHBondContact O-N 2.93Å
212	G	92.3	Very high	91.5	Very high	3 Å²	3	26.9 Å²	26.9	3%	0.031	16%	0.157	C	C	.	.	H	α-helix	trans	-55.7	-44.2	173.1	0	0	0	0	0	112.9	S208 G209 I210 S216	S208-G212 PolarHBondContact O-N 2.55Å; S208-G212 VanDerWaalsContact O-N 3.13Å; G209-G212 PolarHBondContact O-N 3.48Å; I210-G212 VanDerWaalsContact C-N 3.32Å; I210-G212 PolarHBondContact O-N 3.3Å; G212-S216 WeakPolarHBondContact O-CB 3.31Å; G212-S216 PolarHBondContact O-N 3.02Å; G212-S216 PolarHBondContact O-OG 3.36Å
213	V	96.2	Very high	92.5	Very high	38 Å²	38	26 Å²	26	23%	0.23	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-54.1	176	-179.7	0	0	0	0	111.3	G209 I210 G211 Y215 S216 L217 A581 G585	G209-V213 PolarHBondContact O-N 3.25Å; G209-V213 VanDerWaalsContact O-N 3.12Å; I210-V213 WeakPolarHBondContact O-CB 3.45Å; I210-V213 PolarHBondContact O-N 3.4Å; I210-V213 VanDerWaalsContact O-N 3.08Å; G211-V213 VanDerWaalsContact C-N 3.32Å; G211-V213 PolarHBondContact O-N 3.28Å; V213-Y215 PolarHBondContact O-N 3.14Å; V213-S216 PolarHBondContact O-N 3.33Å; V213-L217 HydrophobicContact CG1-CD1 3.96Å; V213-L217 HydrophobicContact CG1-CG 4.48Å; V213-L217 VanDerWaalsContact O-CG 3.31Å; V213-L217 WeakPolarHBondContact O-CG 3.38Å; V213-L217 PolarHBondContact O-N 3.23Å; V213-L217 VanDerWaalsContact O-N 3.11Å; V213-A581 HydrophobicContact CG1-CB 4.41Å; V213-A581 WeakPolarHBondContact CG2-O 3.38Å; V213-G585 VanDerWaalsContact CG2-N 3.26Å
214	V	96.4	Very high	92.8	Very high	57 Å²	57	31.8 Å²	31.8	35%	0.345	17%	0.169	S	C	.	.	H	α-helix	trans	-59.7	-48.7	-174.2	171	0	0	0	0	110.9	I210 G211 L217 I218	I210-V214 HydrophobicContact CG2-CG2 4.13Å; I210-V214 WeakPolarHBondContact O-CG2 3.1Å; I210-V214 PolarHBondContact O-N 3.07Å; G211-V214 PolarHBondContact O-N 3.04Å; V214-L217 PolarHBondContact O-N 3.11Å; V214-I218 HydrophobicContact CG1-CD1 3.62Å; V214-I218 WeakPolarHBondContact O-CB 3.11Å; V214-I218 WeakPolarHBondContact O-CG1 3.41Å; V214-I218 PolarHBondContact O-N 3.13Å
215	Y	95.5	Very high	93.1	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.027	20%	0.198	C	C	.	.	H	α-helix	trans	-66	-40.3	178.5	-83.7	-109.6	0	0	0	111.9	L86 M90 S93 G211 V213 L217 I218 V219 L235	L86-Y215 HydrophobicContact CD2-CE2 4.43Å; L86-Y215 PolarHBondContact O-OH 3.03Å; M90-Y215 HydrophobicContact CB-CE1 3.87Å; M90-Y215 HydrophobicContact CG-CE1 4.49Å; M90-Y215 HydrophobicContact SD-CE1 3.87Å; S93-Y215 WeakPolarHBondContact OG-CB 3.48Å; G211-Y215 WeakPolarHBondContact O-CB 3.28Å; G211-Y215 VanDerWaalsContact O-CD2 3.31Å; G211-Y215 WeakPolarHBondContact O-CD2 3.27Å; G211-Y215 PolarHBondContact O-N 2.93Å; V213-Y215 PolarHBondContact O-N 3.14Å; Y215-L217 PolarHBondContact O-N 3.13Å; Y215-I218 PolarHBondContact O-N 3.06Å; Y215-V219 HydrophobicContact CD1-CG2 3.83Å; Y215-V219 HydrophobicContact CG-CG2 4.4Å; Y215-V219 WeakPolarHBondContact O-CB 3.5Å; Y215-V219 VanDerWaalsContact O-CG2 3.26Å; Y215-V219 WeakPolarHBondContact O-CG2 3.23Å; Y215-V219 PolarHBondContact O-N 3.17Å; Y215-L235 HydrophobicContact CD1-CD1 4.35Å; Y215-L235 HydrophobicContact CD1-CD2 4.13Å; Y215-L235 HydrophobicContact CE1-CD1 3.98Å; Y215-L235 HydrophobicContact CE1-CD2 3.56Å; Y215-L235 HydrophobicContact CE1-CG 4.32Å
216	S	94.9	Very high	93.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-61.2	-28.5	177.7	-61.5	0	0	0	0	113.8	G212 V213 P220 L580	G212-S216 WeakPolarHBondContact O-CB 3.31Å; G212-S216 PolarHBondContact O-N 3.02Å; G212-S216 PolarHBondContact O-OG 3.36Å; V213-S216 PolarHBondContact O-N 3.33Å; S216-P220 VanDerWaalsContact O-CD 3.23Å; S216-P220 WeakPolarHBondContact O-CD 3.18Å; S216-P220 WeakPolarHBondContact O-CG 3.34Å; S216-L580 WeakPolarHBondContact OG-CB 3.44Å
217	L	94.1	Very high	93.8	Very high	80 Å²	80	45.8 Å²	45.8	42%	0.419	24%	0.236	S	C	.	.	H	α-helix	trans	-85.6	-40.4	177	-62.4	177.6	0	0	0	112.4	V213 V214 Y215 S221 Y578 A581	V213-L217 HydrophobicContact CG1-CD1 3.96Å; V213-L217 HydrophobicContact CG1-CG 4.48Å; V213-L217 VanDerWaalsContact O-CG 3.31Å; V213-L217 WeakPolarHBondContact O-CG 3.38Å; V213-L217 PolarHBondContact O-N 3.23Å; V213-L217 VanDerWaalsContact O-N 3.11Å; V214-L217 PolarHBondContact O-N 3.11Å; Y215-L217 PolarHBondContact O-N 3.13Å; L217-S221 PolarHBondContact O-OG 3.33Å; L217-Y578 HydrophobicContact CD2-CD1 3.64Å; L217-Y578 HydrophobicContact CD2-CE1 3.44Å; L217-Y578 VanDerWaalsContact CD2-CE1 3.44Å; L217-A581 HydrophobicContact CD2-CB 4.34Å
218	I	94.3	Very high	93.9	Very high	81 Å²	81	45.8 Å²	45.8	42%	0.415	24%	0.236	S	C	.	.	H	α-helix	trans	-83.4	-46.3	-172.5	-66.4	176.1	0	0	0	111.6	V214 Y215 S221 L222	V214-I218 HydrophobicContact CG1-CD1 3.62Å; V214-I218 WeakPolarHBondContact O-CB 3.11Å; V214-I218 WeakPolarHBondContact O-CG1 3.41Å; V214-I218 PolarHBondContact O-N 3.13Å; Y215-I218 PolarHBondContact O-N 3.06Å; I218-S221 WeakPolarHBondContact O-CB 3.39Å; I218-S221 PolarHBondContact O-N 2.97Å; I218-S221 VanDerWaalsContact O-N 3.15Å; I218-L222 HydrophobicContact CG2-CD1 3.49Å; I218-L222 VanDerWaalsContact CG2-CD1 3.49Å; I218-L222 HydrophobicContact CG2-CG 3.72Å; I218-L222 WeakPolarHBondContact O-CG 3.16Å; I218-L222 PolarHBondContact O-N 3.04Å
219	V	94.8	Very high	94	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.5	-49.7	-172	169.7	0	0	0	0	112.7	L96 F97 Y215 S221 L222 I223 L235	L96-V219 HydrophobicContact CB-CG1 4.01Å; L96-V219 HydrophobicContact CD1-CB 3.88Å; L96-V219 HydrophobicContact CD1-CG1 4.02Å; F97-V219 HydrophobicContact CE1-CG1 4Å; F97-V219 HydrophobicContact CE2-CG1 3.92Å; F97-V219 HydrophobicContact CZ-CG1 3.58Å; F97-V219 HydrophobicContact CZ-CG2 4.32Å; Y215-V219 HydrophobicContact CD1-CG2 3.83Å; Y215-V219 HydrophobicContact CG-CG2 4.4Å; Y215-V219 WeakPolarHBondContact O-CB 3.5Å; Y215-V219 VanDerWaalsContact O-CG2 3.26Å; Y215-V219 WeakPolarHBondContact O-CG2 3.23Å; Y215-V219 PolarHBondContact O-N 3.17Å; V219-S221 VanDerWaalsContact C-N 3.26Å; V219-S221 PolarHBondContact O-N 3.24Å; V219-L222 PolarHBondContact O-N 2.75Å; V219-L222 VanDerWaalsContact O-N 3.12Å; V219-I223 HydrophobicContact CG1-CD1 3.54Å; V219-I223 HydrophobicContact CG1-CG1 4.07Å; V219-I223 WeakPolarHBondContact O-CG1 3.37Å; V219-I223 PolarHBondContact O-N 2.93Å; V219-L235 HydrophobicContact CG2-CD1 4.11Å
220	P	92.2	Very high	94.2	Very high	16 Å²	16	49.1 Å²	49.1	10%	0.104	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-37.3	179.6	-22.3	33.8	0	0	0	112.6	S216 K224 S577	S216-P220 VanDerWaalsContact O-CD 3.23Å; S216-P220 WeakPolarHBondContact O-CD 3.18Å; S216-P220 WeakPolarHBondContact O-CG 3.34Å; P220-K224 WeakPolarHBondContact O-CB 3.19Å; P220-K224 PolarHBondContact O-N 2.87Å; P220-K224 VanDerWaalsContact O-N 3.07Å; P220-S577 VanDerWaalsContact CG-CB 3.48Å; P220-S577 WeakPolarHBondContact CG-OG 3.15Å
221	S	92.2	Very high	94.3	Very high	67 Å²	67	46.2 Å²	46.2	47%	0.469	24%	0.239	S	C	.	.	H	α-helix	trans	-66.9	-40.6	177.2	-55.7	0	0	0	0	111.5	L217 I218 V219 I225	L217-S221 PolarHBondContact O-OG 3.33Å; I218-S221 WeakPolarHBondContact O-CB 3.39Å; I218-S221 PolarHBondContact O-N 2.97Å; I218-S221 VanDerWaalsContact O-N 3.15Å; V219-S221 VanDerWaalsContact C-N 3.26Å; V219-S221 PolarHBondContact O-N 3.24Å; S221-I225 WeakPolarHBondContact O-CD1 3.31Å; S221-I225 WeakPolarHBondContact O-CG1 3.38Å; S221-I225 PolarHBondContact O-N 3.17Å
222	L	94.5	Very high	94.3	Very high	32 Å²	32	46.3 Å²	46.3	17%	0.168	24%	0.24	C	C	.	.	H	α-helix	trans	-70.2	-41.2	177.1	-68.2	-174.5	0	0	0	112.5	I218 V219 K224 I225 Y226 C231 L234	I218-L222 HydrophobicContact CG2-CD1 3.49Å; I218-L222 VanDerWaalsContact CG2-CD1 3.49Å; I218-L222 HydrophobicContact CG2-CG 3.72Å; I218-L222 WeakPolarHBondContact O-CG 3.16Å; I218-L222 PolarHBondContact O-N 3.04Å; V219-L222 PolarHBondContact O-N 2.75Å; V219-L222 VanDerWaalsContact O-N 3.12Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 2.81Å; L222-I225 PolarHBondContact O-N 3.29Å; L222-Y226 HydrophobicContact CD2-CD2 4.19Å; L222-Y226 HydrophobicContact CD2-CE2 4.32Å; L222-Y226 WeakPolarHBondContact O-CB 3.33Å; L222-Y226 PolarHBondContact O-N 2.96Å; L222-C231 HydrophobicContact CB-CB 3.95Å; L222-L234 HydrophobicContact CD1-CB 4.35Å; L222-L234 HydrophobicContact CD1-CD1 4.15Å; L222-L234 HydrophobicContact CD2-CD1 3.8Å; L222-L234 HydrophobicContact CG-CD1 4.5Å
223	I	93.8	Very high	94.5	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.046	26%	0.257	C	S	.	.	H	α-helix	trans	-59.6	-46.1	175.9	-69	173.7	0	0	0	109.6	F97 E100 V219 I225 T227 C231	F97-I223 HydrophobicContact CD1-CD1 3.79Å; F97-I223 HydrophobicContact CD1-CG1 4.44Å; F97-I223 HydrophobicContact CE1-CD1 3.88Å; F97-I223 HydrophobicContact CE1-CG1 4.2Å; E100-I223 HydrophobicContact CB-CG2 4.5Å; E100-I223 HydrophobicContact CG-CG2 4.03Å; V219-I223 HydrophobicContact CG1-CD1 3.54Å; V219-I223 HydrophobicContact CG1-CG1 4.07Å; V219-I223 WeakPolarHBondContact O-CG1 3.37Å; V219-I223 PolarHBondContact O-N 2.93Å; I223-I225 VanDerWaalsContact C-N 3.27Å; I223-I225 PolarHBondContact O-N 3.24Å; I223-T227 WeakPolarHBondContact O-CA 3.5Å; I223-T227 PolarHBondContact O-N 2.96Å; I223-C231 HydrophobicContact CG1-CB 3.87Å
224	K	91.7	Very high	94.5	Very high	186 Å²	186	51.3 Å²	51.3	81%	0.809	26%	0.264	S	S	*	.	H	α-helix	trans	-59.9	-34.4	180	-174.5	177.2	179.4	179.7	0	113.7	P220 L222	P220-K224 WeakPolarHBondContact O-CB 3.19Å; P220-K224 PolarHBondContact O-N 2.87Å; P220-K224 VanDerWaalsContact O-N 3.07Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 2.81Å
225	I	93.8	Very high	94.5	Very high	118 Å²	118	49 Å²	49	61%	0.605	25%	0.25	S	C	*	.	H	α-helix	trans	-91.4	-42.5	-175.8	-60.9	166.9	0	0	0	111.7	S221 L222 I223	S221-I225 WeakPolarHBondContact O-CD1 3.31Å; S221-I225 WeakPolarHBondContact O-CG1 3.38Å; S221-I225 PolarHBondContact O-N 3.17Å; L222-I225 PolarHBondContact O-N 3.29Å; I223-I225 VanDerWaalsContact C-N 3.27Å; I223-I225 PolarHBondContact O-N 3.24Å
226	Y	94.2	Very high	94.5	Very high	131 Å²	131	49 Å²	49	51%	0.514	25%	0.25	S	S	.	.	H	α-helix	trans	-116.7	6.2	-168	-63.7	-71	0	0	0	114	L222 G230 L234	L222-Y226 HydrophobicContact CD2-CD2 4.19Å; L222-Y226 HydrophobicContact CD2-CE2 4.32Å; L222-Y226 WeakPolarHBondContact O-CB 3.33Å; L222-Y226 PolarHBondContact O-N 2.96Å; Y226-G230 WeakPolarHBondContact O-CA 3.21Å; Y226-G230 PolarHBondContact O-N 3.23Å; Y226-L234 HydrophobicContact CD2-CD1 3.75Å; Y226-L234 HydrophobicContact CE2-CD1 3.91Å; Y226-L234 HydrophobicContact CG-CD1 4.41Å
227	T	93.6	Very high	94.6	Very high	72 Å²	72	50.5 Å²	50.5	44%	0.442	27%	0.266	S	S	.	.	H	α-helix	trans	62.1	172.3	-166.7	75.7	0	0	0	0	112.6	I223 R229 G230 C231	I223-T227 WeakPolarHBondContact O-CA 3.5Å; I223-T227 PolarHBondContact O-N 2.96Å; T227-R229 PolarHBondContact O-N 3.49Å; T227-R229 PolarHBondContact OG1-N 2.91Å; T227-G230 PolarHBondContact O-N 2.93Å; T227-C231 WeakPolarHBondContact O-CB 3.31Å; T227-C231 PolarHBondContact O-N 3.26Å
228	W	93	Very high	94.7	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-59.4	-34.8	175.1	66.6	-86.3	0	0	0	113.3	F97 E100 L101 T104 F105 F166 C231 I232	F97-W228 HydrophobicContact CD1-CB 4.17Å; E100-W228 HydrophobicContact CG-CB 3.66Å; E100-W228 VanDerWaalsContact CG-CD1 3.46Å; E100-W228 HydrophobicContact CG-CG 3.85Å; L101-W228 HydrophobicContact CD2-CD2 3.97Å; L101-W228 HydrophobicContact CD2-CE3 3.96Å; L101-W228 HydrophobicContact CD2-CH2 4.1Å; L101-W228 HydrophobicContact CD2-CZ2 4.06Å; L101-W228 HydrophobicContact CD2-CZ3 4.06Å; T104-W228 HydrophobicContact CG2-CZ2 4.01Å; T104-W228 PolarHBondContact OG1-NE1 3.22Å; F105-W228 HydrophobicContact CD2-CZ2 4.42Å; F105-W228 AromaticContact CE2-CH2 3.64Å; F105-W228 HydrophobicContact CE2-CH2 3.64Å; F105-W228 AromaticContact CE2-CZ2 3.37Å; F105-W228 HydrophobicContact CE2-CZ2 3.37Å; F105-W228 AromaticContact CZ-CH2 3.75Å; F105-W228 HydrophobicContact CZ-CH2 3.75Å; F105-W228 AromaticContact CZ-CZ2 3.69Å; F105-W228 HydrophobicContact CZ-CZ2 3.69Å; F166-W228 HydrophobicContact CD2-CH2 4.33Å; F166-W228 HydrophobicContact CD2-CZ3 4.21Å; F166-W228 HydrophobicContact CE2-CH2 4.21Å; F166-W228 AromaticContact CE2-CZ3 3.65Å; F166-W228 HydrophobicContact CE2-CZ3 3.65Å; F166-W228 HydrophobicContact CZ-CZ3 4.07Å; W228-C231 WeakPolarHBondContact O-CB 3.42Å; W228-C231 PolarHBondContact O-N 2.99Å; W228-I232 HydrophobicContact CE3-CD1 3.66Å; W228-I232 HydrophobicContact CZ3-CD1 3.92Å; W228-I232 WeakPolarHBondContact O-CG1 3.43Å; W228-I232 PolarHBondContact O-N 3.48Å
229	R	94.4	Very high	94.8	Very high	53 Å²	53	45.7 Å²	45.7	20%	0.2	24%	0.243	C	C	.	.	H	α-helix	trans	-65.3	-47.4	179.8	-73.1	-173.5	165.7	84.3	2.6	111.5	T158 I160 T227 C231 I232 L233	T158-R229 WeakPolarHBondContact O-CD 3.14Å; I160-R229 PolarHBondContact O-NH2 3.5Å; T227-R229 PolarHBondContact O-N 3.49Å; T227-R229 PolarHBondContact OG1-N 2.91Å; R229-C231 VanDerWaalsContact C-N 3.33Å; R229-I232 PolarHBondContact O-N 2.96Å; R229-L233 WeakPolarHBondContact O-CB 3.18Å; R229-L233 PolarHBondContact O-N 3.34Å
230	G	95.6	Very high	94.9	Very high	18 Å²	18	49.2 Å²	49.2	19%	0.186	26%	0.262	C	S	.	.	H	α-helix	trans	-68.4	-33.1	176.6	0	0	0	0	0	112.4	Y226 T227 L233 L234	Y226-G230 WeakPolarHBondContact O-CA 3.21Å; Y226-G230 PolarHBondContact O-N 3.23Å; T227-G230 PolarHBondContact O-N 2.93Å; G230-L233 PolarHBondContact O-N 3.12Å; G230-L234 WeakPolarHBondContact O-CG 3.5Å; G230-L234 PolarHBondContact O-N 3.25Å
231	C	96.5	Very high	95.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.1	-52	170.8	-179	0	0	0	0	111.7	F97 L222 I223 T227 W228 R229 L233 L234 L235	F97-C231 HydrophobicContact CE1-CB 4.26Å; L222-C231 HydrophobicContact CB-CB 3.95Å; I223-C231 HydrophobicContact CG1-CB 3.87Å; T227-C231 WeakPolarHBondContact O-CB 3.31Å; T227-C231 PolarHBondContact O-N 3.26Å; W228-C231 WeakPolarHBondContact O-CB 3.42Å; W228-C231 PolarHBondContact O-N 2.99Å; R229-C231 VanDerWaalsContact C-N 3.33Å; C231-L233 VanDerWaalsContact C-N 3.28Å; C231-L233 PolarHBondContact O-N 3.36Å; C231-L234 PolarHBondContact O-N 3.28Å; C231-L235 VanDerWaalsContact O-CG 3.32Å; C231-L235 WeakPolarHBondContact O-CG 3.49Å; C231-L235 PolarHBondContact O-N 3.19Å
232	I	95.7	Very high	95.3	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-37.8	177.3	-68.3	-179.3	0	0	0	111.3	F97 I154 T158 F166 F170 W228 R229 L235 S236	F97-I232 HydrophobicContact CD1-CG1 4.48Å; F97-I232 HydrophobicContact CE1-CG1 3.91Å; F97-I232 HydrophobicContact CZ-CG1 4.3Å; I154-I232 HydrophobicContact CG2-CG2 3.53Å; T158-I232 HydrophobicContact CG2-CB 3.98Å; T158-I232 HydrophobicContact CG2-CG2 3.62Å; F166-I232 HydrophobicContact CE2-CD1 4.05Å; F166-I232 HydrophobicContact CZ-CD1 4.01Å; F170-I232 HydrophobicContact CE2-CD1 4.22Å; F170-I232 HydrophobicContact CE2-CG2 4.36Å; W228-I232 HydrophobicContact CE3-CD1 3.66Å; W228-I232 HydrophobicContact CZ3-CD1 3.92Å; W228-I232 WeakPolarHBondContact O-CG1 3.43Å; W228-I232 PolarHBondContact O-N 3.48Å; R229-I232 PolarHBondContact O-N 2.96Å; I232-L235 PolarHBondContact O-N 2.87Å; I232-S236 PolarHBondContact O-N 3.04Å
233	L	96.7	Very high	95.4	Very high	75 Å²	75	49.1 Å²	49.1	39%	0.393	26%	0.256	S	S	.	.	H	α-helix	trans	-59.2	-49.2	175.1	-171.9	151.9	0	0	0	111.2	L155 T158 R229 G230 C231 L235 S236 G237	L155-L233 HydrophobicContact CD1-CD1 4.5Å; L155-L233 HydrophobicContact CD1-CG 4.14Å; T158-L233 HydrophobicContact CG2-CB 3.93Å; R229-L233 WeakPolarHBondContact O-CB 3.18Å; R229-L233 PolarHBondContact O-N 3.34Å; G230-L233 PolarHBondContact O-N 3.12Å; C231-L233 VanDerWaalsContact C-N 3.28Å; C231-L233 PolarHBondContact O-N 3.36Å; L233-L235 PolarHBondContact O-N 3.1Å; L233-S236 WeakPolarHBondContact O-CB 3.45Å; L233-S236 PolarHBondContact O-N 3.24Å; L233-S236 PolarHBondContact O-OG 2.8Å; L233-G237 PolarHBondContact O-N 2.93Å
234	L	97.2	Very high	95.5	Very high	71 Å²	71	53.9 Å²	53.9	37%	0.372	28%	0.28	S	S	.	.	H	α-helix	trans	-63.8	-41.9	177.6	-68.5	173.7	0	0	0	111.8	L222 Y226 G230 C231 S236 G237 V238	L222-L234 HydrophobicContact CD1-CB 4.35Å; L222-L234 HydrophobicContact CD1-CD1 4.15Å; L222-L234 HydrophobicContact CD2-CD1 3.8Å; L222-L234 HydrophobicContact CG-CD1 4.5Å; Y226-L234 HydrophobicContact CD2-CD1 3.75Å; Y226-L234 HydrophobicContact CE2-CD1 3.91Å; Y226-L234 HydrophobicContact CG-CD1 4.41Å; G230-L234 WeakPolarHBondContact O-CG 3.5Å; G230-L234 PolarHBondContact O-N 3.25Å; C231-L234 PolarHBondContact O-N 3.28Å; L234-S236 VanDerWaalsContact C-N 3.28Å; L234-S236 PolarHBondContact O-N 3.04Å; L234-G237 PolarHBondContact O-N 3.24Å; L234-G237 VanDerWaalsContact O-N 3.09Å; L234-V238 WeakPolarHBondContact O-CG2 3.48Å; L234-V238 PolarHBondContact O-N 3.22Å
235	L	95.8	Very high	95.6	Very high	9 Å²	9	45 Å²	45	5%	0.047	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-33.5	176.3	-68.1	177.1	0	0	0	112.4	M90 F97 Y215 V219 C231 I232 L233 G237 V238 N239	M90-L235 HydrophobicContact SD-CD1 3.88Å; F97-L235 HydrophobicContact CZ-CD1 3.83Å; Y215-L235 HydrophobicContact CD1-CD1 4.35Å; Y215-L235 HydrophobicContact CD1-CD2 4.13Å; Y215-L235 HydrophobicContact CE1-CD1 3.98Å; Y215-L235 HydrophobicContact CE1-CD2 3.56Å; Y215-L235 HydrophobicContact CE1-CG 4.32Å; V219-L235 HydrophobicContact CG2-CD1 4.11Å; C231-L235 VanDerWaalsContact O-CG 3.32Å; C231-L235 WeakPolarHBondContact O-CG 3.49Å; C231-L235 PolarHBondContact O-N 3.19Å; I232-L235 PolarHBondContact O-N 2.87Å; L233-L235 PolarHBondContact O-N 3.1Å; L235-G237 VanDerWaalsContact C-N 3.29Å; L235-G237 PolarHBondContact O-N 2.64Å; L235-V238 PolarHBondContact O-N 2.85Å; L235-N239 WeakPolarHBondContact O-CB 3.34Å; L235-N239 PolarHBondContact O-N 3.48Å
236	S	96.3	Very high	95.5	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-63	-36.6	173.2	81	0	0	0	0	112.3	T151 I232 L233 L234 N239 L240	T151-S236 WeakPolarHBondContact CG2-O 3.42Å; T151-S236 PolarHBondContact OG1-O 2.68Å; I232-S236 PolarHBondContact O-N 3.04Å; L233-S236 WeakPolarHBondContact O-CB 3.45Å; L233-S236 PolarHBondContact O-N 3.24Å; L233-S236 PolarHBondContact O-OG 2.8Å; L234-S236 VanDerWaalsContact C-N 3.28Å; L234-S236 PolarHBondContact O-N 3.04Å; S236-N239 WeakPolarHBondContact O-CB 3.28Å; S236-N239 PolarHBondContact O-N 3.38Å; S236-L240 PolarHBondContact O-N 3.32Å
237	G	96.4	Very high	95.4	Very high	33 Å²	33	35.9 Å²	35.9	34%	0.34	21%	0.211	S	C	.	.	H	α-helix	trans	-69.2	-41.2	173.1	0	0	0	0	0	112.2	L233 L234 L235 N239 L240	L233-G237 PolarHBondContact O-N 2.93Å; L234-G237 PolarHBondContact O-N 3.24Å; L234-G237 VanDerWaalsContact O-N 3.09Å; L235-G237 VanDerWaalsContact C-N 3.29Å; L235-G237 PolarHBondContact O-N 2.64Å; G237-N239 VanDerWaalsContact C-N 3.28Å; G237-N239 PolarHBondContact O-N 3.32Å; G237-L240 WeakPolarHBondContact O-CB 3.07Å; G237-L240 PolarHBondContact O-N 3.41Å
238	V	96.6	Very high	95.3	Very high	59 Å²	59	34.3 Å²	34.3	36%	0.358	20%	0.2	S	C	.	.	H	α-helix	trans	-61.1	-39.9	173.2	177.3	0	0	0	0	110.5	L86 L234 L235 L240 H241	L86-V238 HydrophobicContact CD2-CG1 3.58Å; L234-V238 WeakPolarHBondContact O-CG2 3.48Å; L234-V238 PolarHBondContact O-N 3.22Å; L235-V238 PolarHBondContact O-N 2.85Å; V238-L240 PolarHBondContact O-N 2.82Å; V238-H241 WeakPolarHBondContact O-CB 3.39Å; V238-H241 PolarHBondContact O-N 3.02Å; V238-H241 PolarHBondContact O-ND1 3.06Å
239	N	96	Very high	95.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.1	-27.8	178.4	-169.3	71.7	0	0	0	113.8	T147 S150 T151 Y178 L235 S236 G237 H241 C242	T147-N239 WeakPolarHBondContact CG2-O 3.32Å; S150-N239 PolarHBondContact OG-ND2 3.15Å; T151-N239 PolarHBondContact N-ND2 2.79Å; T151-N239 PolarHBondContact OG1-ND2 2.83Å; Y178-N239 WeakPolarHBondContact CE1-OD1 3.5Å; Y178-N239 PolarHBondContact OH-OD1 3.33Å; L235-N239 WeakPolarHBondContact O-CB 3.34Å; L235-N239 PolarHBondContact O-N 3.48Å; S236-N239 WeakPolarHBondContact O-CB 3.28Å; S236-N239 PolarHBondContact O-N 3.38Å; G237-N239 VanDerWaalsContact C-N 3.28Å; G237-N239 PolarHBondContact O-N 3.32Å; N239-H241 PolarHBondContact O-N 3.4Å; N239-H241 VanDerWaalsContact O-N 3.08Å; N239-C242 WeakPolarHBondContact O-CB 3.41Å; N239-C242 PolarHBondContact O-N 3.08Å
240	L	96.7	Very high	94.6	Very high	75 Å²	75	37.2 Å²	37.2	39%	0.393	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-19.4	174.9	-75.9	168.3	0	0	0	113.5	L148 T151 S236 G237 V238 C242 A243	L148-L240 HydrophobicContact CD2-CD2 4.47Å; T151-L240 HydrophobicContact CG2-CD1 4.27Å; T151-L240 HydrophobicContact CG2-CD2 3.81Å; T151-L240 HydrophobicContact CG2-CG 3.78Å; S236-L240 PolarHBondContact O-N 3.32Å; G237-L240 WeakPolarHBondContact O-CB 3.07Å; G237-L240 PolarHBondContact O-N 3.41Å; V238-L240 PolarHBondContact O-N 2.82Å; L240-C242 PolarHBondContact O-N 2.99Å; L240-A243 VanDerWaalsContact O-CB 3.31Å; L240-A243 WeakPolarHBondContact O-CB 3.47Å; L240-A243 PolarHBondContact O-N 3.28Å
241	H	96.6	Very high	93.6	Very high	90 Å²	90	39.9 Å²	39.9	42%	0.417	23%	0.225	S	C	.	.	H	α-helix	trans	-65.9	-20.5	175.7	-65.7	74.2	0	0	0	112.5	L82 L86 V238 N239 A243 I244 A245	L82-H241 HydrophobicContact CD2-CB 4.47Å; L86-H241 HydrophobicContact CD1-CB 3.94Å; V238-H241 WeakPolarHBondContact O-CB 3.39Å; V238-H241 PolarHBondContact O-N 3.02Å; V238-H241 PolarHBondContact O-ND1 3.06Å; N239-H241 PolarHBondContact O-N 3.4Å; N239-H241 VanDerWaalsContact O-N 3.08Å; H241-A243 PolarHBondContact O-N 3.49Å; H241-I244 PolarHBondContact O-N 3.31Å; H241-I244 VanDerWaalsContact O-N 3.17Å; H241-A245 PolarHBondContact O-N 3.13Å
242	C	97.1	Very high	92.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-27.6	168.7	-67.5	0	0	0	0	112.3	V143 T147 I181 N239 L240 G246	V143-C242 WeakPolarHBondContact CG1-O 2.87Å; T147-C242 HydrophobicContact CG2-CB 3.8Å; T147-C242 WeakPolarHBondContact OG1-CB 3.44Å; I181-C242 HydrophobicContact CD1-CB 4.16Å; I181-C242 HydrophobicContact CG2-CB 4.21Å; N239-C242 WeakPolarHBondContact O-CB 3.41Å; N239-C242 PolarHBondContact O-N 3.08Å; L240-C242 PolarHBondContact O-N 2.99Å; C242-G246 PolarHBondContact O-N 3.35Å
243	A	96	Very high	90.2	Very high	23 Å²	23	49.7 Å²	49.7	19%	0.19	26%	0.264	C	S	.	.	H	α-helix	trans	-74.3	-36.7	176.2	0	0	0	0	0	111.3	T147 L240 H241 G246 A247	T147-A243 HydrophobicContact CG2-CB 3.85Å; T147-A243 PolarHBondContact OG1-N 2.76Å; L240-A243 VanDerWaalsContact O-CB 3.31Å; L240-A243 WeakPolarHBondContact O-CB 3.47Å; L240-A243 PolarHBondContact O-N 3.28Å; H241-A243 PolarHBondContact O-N 3.49Å; A243-G246 PolarHBondContact O-N 3.05Å; A243-A247 PolarHBondContact O-N 2.66Å
244	I	94.9	Very high	87.9	Confident	108 Å²	108	48.2 Å²	48.2	55%	0.554	26%	0.259	S	S	*	.	H	α-helix	trans	-64.9	-45.3	172.8	-61.8	167.6	0	0	0	109.5	H241 G246 A247 L248	H241-I244 PolarHBondContact O-N 3.31Å; H241-I244 VanDerWaalsContact O-N 3.17Å; I244-G246 VanDerWaalsContact C-N 3.35Å; I244-G246 PolarHBondContact O-N 3.47Å; I244-A247 WeakPolarHBondContact O-CB 3.19Å; I244-A247 PolarHBondContact O-N 3.33Å; I244-L248 PolarHBondContact O-N 3.25Å
245	A	93.8	Very high	85.3	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-59.2	-45.2	173.1	0	0	0	0	0	111.9	G79 L82 C83 H241 A247 L248 F249	G79-A245 WeakPolarHBondContact O-CB 3.16Å; L82-A245 HydrophobicContact CD2-CB 4.32Å; C83-A245 VanDerWaalsContact SG-CB 3.58Å; H241-A245 PolarHBondContact O-N 3.13Å; A245-A247 VanDerWaalsContact C-N 3.3Å; A245-A247 PolarHBondContact O-N 2.9Å; A245-L248 VanDerWaalsContact O-CB 3.3Å; A245-L248 WeakPolarHBondContact O-CB 3.44Å; A245-L248 PolarHBondContact O-N 3.35Å; A245-L248 VanDerWaalsContact O-N 3.08Å; A245-F249 WeakPolarHBondContact O-CD1 3.34Å
246	G	92	Very high	82.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.9	-37.7	175.6	0	0	0	0	0	112.9	R140 C242 A243 I244 L248 F249	R140-G246 WeakPolarHBondContact CG-O 3.35Å; C242-G246 PolarHBondContact O-N 3.35Å; A243-G246 PolarHBondContact O-N 3.05Å; I244-G246 VanDerWaalsContact C-N 3.35Å; I244-G246 PolarHBondContact O-N 3.47Å; G246-L248 PolarHBondContact O-N 2.99Å; G246-F249 VanDerWaalsContact O-CB 3.27Å; G246-F249 WeakPolarHBondContact O-CB 3.35Å; G246-F249 PolarHBondContact O-N 2.85Å
247	A	93	Very high	79.6	Confident	57 Å²	57	65.7 Å²	65.7	47%	0.471	34%	0.344	S	S	.	.	H	α-helix	trans	-61.7	-25.2	176.1	0	0	0	0	0	113.2	A243 I244 A245 F249	A243-A247 PolarHBondContact O-N 2.66Å; I244-A247 WeakPolarHBondContact O-CB 3.19Å; I244-A247 PolarHBondContact O-N 3.33Å; A245-A247 VanDerWaalsContact C-N 3.3Å; A245-A247 PolarHBondContact O-N 2.9Å; A247-F249 VanDerWaalsContact C-N 3.29Å; A247-F249 PolarHBondContact O-N 3.2Å
248	L	92.1	Very high	76.5	Confident	39 Å²	39	72.6 Å²	72.6	20%	0.204	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-17.1	174.2	-60	172.7	0	0	0	113.2	W72 I76 F78 I244 A245 G246 R250	W72-L248 HydrophobicContact CZ2-CD2 4.18Å; W72-L248 PolarHBondContact NE1-O 3.15Å; I76-L248 WeakPolarHBondContact CG1-O 3.08Å; F78-L248 HydrophobicContact CD1-CD1 4.29Å; I244-L248 PolarHBondContact O-N 3.25Å; A245-L248 VanDerWaalsContact O-CB 3.3Å; A245-L248 WeakPolarHBondContact O-CB 3.44Å; A245-L248 PolarHBondContact O-N 3.35Å; A245-L248 VanDerWaalsContact O-N 3.08Å; G246-L248 PolarHBondContact O-N 2.99Å; L248-R250 PolarHBondContact O-N 2.67Å
249	F	88.4	Confident	73.4	Confident	2 Å²	2	76.9 Å²	76.9	1%	0.009	38%	0.38	C	S	.	.			trans	-73.9	65.8	-176.8	-64.1	-6	0	0	0	111.7	I76 S80 R140 V143 A185 V188 A245 G246 A247 P251	I76-F249 HydrophobicContact CG1-CD1 4.46Å; I76-F249 HydrophobicContact CG2-CD1 4.04Å; I76-F249 HydrophobicContact CG2-CE1 4.28Å; S80-F249 WeakPolarHBondContact OG-CE1 3.12Å; S80-F249 WeakPolarHBondContact OG-CZ 2.98Å; R140-F249 HydrophobicContact CB-CB 4.07Å; R140-F249 WeakPolarHBondContact CB-O 2.98Å; V143-F249 HydrophobicContact CB-CD2 4.4Å; V143-F249 HydrophobicContact CB-CE2 4.34Å; V143-F249 HydrophobicContact CG1-CE2 4.35Å; V143-F249 HydrophobicContact CG2-CD2 3.88Å; V143-F249 HydrophobicContact CG2-CE2 3.62Å; A185-F249 HydrophobicContact CB-CE2 3.99Å; A185-F249 HydrophobicContact CB-CZ 3.88Å; V188-F249 HydrophobicContact CG1-CD1 4.14Å; V188-F249 HydrophobicContact CG1-CD2 4.08Å; V188-F249 HydrophobicContact CG1-CE1 4.16Å; V188-F249 HydrophobicContact CG1-CE2 4.08Å; V188-F249 HydrophobicContact CG1-CG 4.11Å; V188-F249 HydrophobicContact CG1-CZ 4.13Å; V188-F249 HydrophobicContact CG2-CB 4.3Å; V188-F249 HydrophobicContact CG2-CG 4.44Å; A245-F249 WeakPolarHBondContact O-CD1 3.34Å; G246-F249 VanDerWaalsContact O-CB 3.27Å; G246-F249 WeakPolarHBondContact O-CB 3.35Å; G246-F249 PolarHBondContact O-N 2.85Å; A247-F249 VanDerWaalsContact C-N 3.29Å; A247-F249 PolarHBondContact O-N 3.2Å; F249-P251 WeakPolarHBondContact O-CD 3.31Å
250	R	82.8	Confident	70.2	Confident	112 Å²	112	84.4 Å²	84.4	42%	0.423	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-66.3	124.2	176.9	-173.7	178	179.4	-174.1	-0.7	108.9	W192 L248	W192-R250 HydrophobicContact CZ2-CB 4.39Å; W192-R250 WeakPolarHBondContact CZ2-O 3.22Å; W192-R250 PolarHBondContact NE1-O 2.88Å; L248-R250 PolarHBondContact O-N 2.67Å
251	P	74.2	Confident	67	Low	74 Å²	74	89.7 Å²	89.7	48%	0.481	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-64.4	140	170.4	27	-32.5	0	0	0	109	F249 R253	F249-P251 WeakPolarHBondContact O-CD 3.31Å; P251-R253 PolarHBondContact O-N 3.2Å; P251-R253 VanDerWaalsContact O-N 3.11Å
252	L	67	Low	63.8	Low	37 Å²	37	90.2 Å²	90.2	19%	0.194	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-62.2	116.3	169.9	-78	169.7	0	0	0	108.1	P65 P68 S191 W192	P65-L252 HydrophobicContact CG-CB 4.19Å; P68-L252 HydrophobicContact CG-CD2 4.37Å; S191-L252 WeakPolarHBondContact O-CD1 3.3Å; W192-L252 HydrophobicContact CD2-CD1 4.28Å; W192-L252 HydrophobicContact CD2-CD2 3.64Å; W192-L252 HydrophobicContact CD2-CG 3.89Å; W192-L252 VanDerWaalsContact CE2-CD2 3.48Å; W192-L252 HydrophobicContact CE3-CD2 3.71Å; W192-L252 HydrophobicContact CE3-CG 4.46Å; W192-L252 HydrophobicContact CG-CD1 4.23Å; W192-L252 HydrophobicContact CG-CD2 4.43Å; W192-L252 HydrophobicContact CG-CG 4.25Å; W192-L252 HydrophobicContact CH2-CD2 3.53Å; W192-L252 HydrophobicContact CH2-CG 4.4Å; W192-L252 HydrophobicContact CZ2-CD2 3.46Å; W192-L252 VanDerWaalsContact CZ2-CD2 3.46Å; W192-L252 HydrophobicContact CZ2-CG 3.83Å; W192-L252 HydrophobicContact CZ3-CD2 3.65Å
253	R	55.1	Low	60.8	Low	173 Å²	173	98.5 Å²	98.5	65%	0.653	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-80.6	143.7	167.3	-66.8	-174.7	-169.9	165.4	0.3	107.5	P251 T255	P251-R253 PolarHBondContact O-N 3.2Å; P251-R253 VanDerWaalsContact O-N 3.11Å; R253-T255 PolarHBondContact O-N 3.19Å; R253-T255 VanDerWaalsContact O-N 3.14Å
254	P	48.3	Very low	57.7	Low	43 Å²	43	104 Å²	104	28%	0.279	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-54.8	119.1	161.1	-14.1	26.7	0	0	0	107.9	Q473	P254-Q473 VanDerWaalsContact CB-CD 3.5Å; P254-Q473 HydrophobicContact CB-CG 4.26Å; P254-Q473 HydrophobicContact CG-CG 3.58Å
255	T	42.4	Very low	54.7	Low	112 Å²	112	106.5 Å²	106.5	69%	0.687	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-82.4	135.8	169.9	-19.7	0	0	0	0	106.4	R253 Y257	R253-T255 PolarHBondContact O-N 3.19Å; R253-T255 VanDerWaalsContact O-N 3.14Å; T255-Y257 VanDerWaalsContact C-N 3.28Å; T255-Y257 PolarHBondContact O-N 2.77Å
256	D	37.3	Very low	51.7	Low	159 Å²	159	112.5 Å²	112.5	85%	0.85	54%	0.544	S	S	*	.			trans	-59.3	95.7	167.4	-60.9	-44.2	0	0	0	107.2	K258	D256-K258 PolarHBondContact O-N 3.18Å
257	Y	35.9	Very low	49	Very low	182 Å²	182	117.6 Å²	117.6	71%	0.714	57%	0.574	S	S	*	*			trans	-73.3	103.2	-174.2	-155.5	-90.1	0	0	0	107.7	T255 H259	T255-Y257 VanDerWaalsContact C-N 3.28Å; T255-Y257 PolarHBondContact O-N 2.77Å; Y257-H259 PolarHBondContact O-N 3.4Å
258	K	31.5	Very low	46	Very low	179 Å²	179	122.3 Å²	122.3	78%	0.778	59%	0.587	S	S	*	*			trans	-70.1	112.9	165.7	-68.7	-174.6	177.2	-173.9	0	106.8	D256 E260	D256-K258 PolarHBondContact O-N 3.18Å; K258-E260 PolarHBondContact O-N 3.35Å
259	H	31.4	Very low	43	Very low	148 Å²	148	127.4 Å²	127.4	69%	0.685	61%	0.614	S	S	*	*			trans	-62.7	88	164	-113.4	-79.4	0	0	0	108	Y257 Y261	Y257-H259 PolarHBondContact O-N 3.4Å; H259-Y261 VanDerWaalsContact C-N 3.34Å; H259-Y261 AromaticContact ND1-CD2 3.82Å; H259-Y261 AromaticContact ND1-CE2 3.72Å; H259-Y261 PolarHBondContact O-N 3.09Å
260	E	28.2	Very low	40.2	Very low	159 Å²	159	131.2 Å²	131.2	74%	0.743	64%	0.641	S	S	*	*			trans	-77.6	93.8	156.7	-94.3	178.9	170.7	0	0	106.3	K258 N262	K258-E260 PolarHBondContact O-N 3.35Å; E260-N262 PolarHBondContact O-N 2.79Å
261	Y	29.6	Very low	37.4	Very low	186 Å²	186	132.6 Å²	132.6	73%	0.729	65%	0.647	S	S	*	*			trans	-63	92	153.8	-95.8	-90.2	0	0	0	106.8	H259 E263	H259-Y261 VanDerWaalsContact C-N 3.34Å; H259-Y261 AromaticContact ND1-CD2 3.82Å; H259-Y261 AromaticContact ND1-CE2 3.72Å; H259-Y261 PolarHBondContact O-N 3.09Å; Y261-E263 VanDerWaalsContact C-N 3.31Å; Y261-E263 PolarHBondContact O-N 3.13Å
262	N	29.4	Very low	35.2	Very low	100 Å²	100	134.2 Å²	134.2	54%	0.535	66%	0.658	S	S	.	*			trans	-77.6	93.9	153.2	-92.7	-21	0	0	0	105.8	E260 N264 E265	E260-N262 PolarHBondContact O-N 2.79Å; N262-N264 PolarHBondContact O-N 2.8Å; N262-E265 PolarHBondContact O-N 3.38Å
263	E	33.1	Very low	33.2	Very low	175 Å²	175	138.9 Å²	138.9	82%	0.818	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	-8.4	171	-78	-176	151.8	0	0	113.3	Y261	Y261-E263 VanDerWaalsContact C-N 3.31Å; Y261-E263 PolarHBondContact O-N 3.13Å
264	N	32	Very low	32	Very low	137 Å²	137	136.1 Å²	136.1	73%	0.733	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	0.6	-176.6	-58.9	-24	0	0	0	114.8	N262 D266	N262-N264 PolarHBondContact O-N 2.8Å; N264-D266 PolarHBondContact O-N 3.3Å
265	E	31.8	Very low	31	Very low	161 Å²	161	143.3 Å²	143.3	75%	0.752	71%	0.712	S	S	*	*	S	Bend	trans	-80.5	85.5	164.6	-80.1	-165.7	175.9	0	0	108.5	N262 V267	N262-E265 PolarHBondContact O-N 3.38Å; E265-V267 PolarHBondContact O-N 3.45Å
266	D	30.8	Very low	30.3	Very low	128 Å²	128	141.2 Å²	141.2	68%	0.684	71%	0.706	S	S	*	*			trans	-40.9	123.7	169.9	-66.8	-44.5	0	0	0	109.6	N264 E268 N269	N264-D266 PolarHBondContact O-N 3.3Å; D266-E268 PolarHBondContact O-N 3.49Å; D266-N269 PolarHBondContact O-N 2.64Å
267	V	35.1	Very low	29.7	Very low	106 Å²	106	138.3 Å²	138.3	64%	0.642	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.8	-4.5	-178.9	174	0	0	0	0	113.4	E265 Y271	E265-V267 PolarHBondContact O-N 3.45Å; V267-Y271 HydrophobicContact CG1-CE2 3.74Å; V267-Y271 WeakPolarHBondContact O-CD2 3.45Å; V267-Y271 VanDerWaalsContact O-CE2 3.22Å; V267-Y271 WeakPolarHBondContact O-CE2 3.4Å
268	E	29.5	Very low	29.4	Very low	157 Å²	157	137.8 Å²	137.8	73%	0.734	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-27.2	-178.5	-104.6	-175.7	156.4	0	0	115.7	D266	D266-E268 PolarHBondContact O-N 3.49Å
269	N	29.2	Very low	29.2	Very low	146 Å²	146	136.1 Å²	136.1	78%	0.781	70%	0.7	S	S	*	*	S	Bend	trans	-100.5	-6.1	-170.7	-80.4	-26.5	0	0	0	116.2	D266	D266-N269 PolarHBondContact O-N 2.64Å
270	S	28.9	Very low	29.1	Very low	82 Å²	82	133.7 Å²	133.7	57%	0.573	70%	0.696	S	S	*	*	S	Bend	trans	-84.4	-16.3	177.9	61.1	0	0	0	0	113.3
271	Y	25.8	Very low	29.1	Very low	140 Å²	140	131.5 Å²	131.5	55%	0.549	69%	0.689	S	S	.	*	S	Bend	trans	-86.5	128.1	174.4	-60.6	-79.9	0	0	0	109.7	V267 N273	V267-Y271 HydrophobicContact CG1-CE2 3.74Å; V267-Y271 WeakPolarHBondContact O-CD2 3.45Å; V267-Y271 VanDerWaalsContact O-CE2 3.22Å; V267-Y271 WeakPolarHBondContact O-CE2 3.4Å; Y271-N273 PolarHBondContact O-N 2.75Å
272	P	26.7	Very low	29.3	Very low	109 Å²	109	127.4 Å²	127.4	71%	0.708	69%	0.685	S	S	*	*			trans	-58.2	109	165.8	23.6	-28.8	0	0	0	107.2	T274	P272-T274 PolarHBondContact O-N 3.43Å; P272-T274 PolarHBondContact O-OG1 3.35Å; P272-T274 VanDerWaalsContact O-OG1 3.1Å
273	N	24.7	Very low	29.6	Very low	134 Å²	134	128.5 Å²	128.5	72%	0.717	69%	0.691	S	S	*	*			trans	-55.6	79.4	172	-99.2	-39.7	0	0	0	109.4	Y271	Y271-N273 PolarHBondContact O-N 2.75Å
274	T	30.8	Very low	29.6	Very low	115 Å²	115	125.8 Å²	125.8	71%	0.706	68%	0.681	S	S	*	*			trans	-124.1	61.2	168.5	34.7	0	0	0	0	106	P272 A276	P272-T274 PolarHBondContact O-N 3.43Å; P272-T274 PolarHBondContact O-OG1 3.35Å; P272-T274 VanDerWaalsContact O-OG1 3.1Å; T274-A276 PolarHBondContact O-N 3.4Å
275	K	26.9	Very low	29.9	Very low	194 Å²	194	123 Å²	123	84%	0.843	67%	0.668	S	S	*	*			trans	-57.4	83.2	135.9	-73	-178.3	-179.7	174.3	0	105.4	S277	K275-S277 VanDerWaalsContact C-N 3.29Å; K275-S277 PolarHBondContact O-N 3.47Å
276	A	28.7	Very low	30.3	Very low	68 Å²	68	121.4 Å²	121.4	56%	0.562	66%	0.661	S	S	*	*			trans	-48.4	110.3	156.9	0	0	0	0	0	104	T274 F278	T274-A276 PolarHBondContact O-N 3.4Å; A276-F278 HydrophobicContact CB-CD2 4.44Å; A276-F278 HydrophobicContact CB-CE2 4.48Å; A276-F278 PolarHBondContact O-N 3.41Å
277	S	24.6	Very low	30.6	Very low	98 Å²	98	120.5 Å²	120.5	69%	0.685	66%	0.656	S	S	*	*			trans	-61.9	84.4	179.9	-177.5	0	0	0	0	106.9	K275 N279	K275-S277 VanDerWaalsContact C-N 3.29Å; K275-S277 PolarHBondContact O-N 3.47Å; S277-N279 PolarHBondContact O-N 3.03Å
278	F	28.5	Very low	30.8	Very low	171 Å²	171	121.6 Å²	121.6	75%	0.75	66%	0.655	S	S	*	*			trans	-66	89.3	160.2	-87.9	-89.4	0	0	0	104.5	A276 T280	A276-F278 HydrophobicContact CB-CD2 4.44Å; A276-F278 HydrophobicContact CB-CE2 4.48Å; A276-F278 PolarHBondContact O-N 3.41Å; F278-T280 HydrophobicContact CB-CG2 4.35Å; F278-T280 PolarHBondContact O-N 3.01Å
279	N	27.9	Very low	31.2	Very low	145 Å²	145	117.9 Å²	117.9	78%	0.775	64%	0.642	S	S	*	*			trans	-64.3	75.4	156.7	-88.6	-9.2	0	0	0	106.2	S277 D281	S277-N279 PolarHBondContact O-N 3.03Å; N279-D281 PolarHBondContact O-N 2.9Å; N279-D281 VanDerWaalsContact O-N 3.15Å
280	T	28.9	Very low	31.6	Very low	96 Å²	96	115.9 Å²	115.9	59%	0.589	63%	0.628	S	S	*	*			trans	-70.8	100.3	163	37.5	0	0	0	0	105.7	F278	F278-T280 HydrophobicContact CB-CG2 4.35Å; F278-T280 PolarHBondContact O-N 3.01Å
281	D	28.6	Very low	32.2	Very low	114 Å²	114	114.6 Å²	114.6	61%	0.61	62%	0.623	S	S	*	*			trans	-50.8	125.5	171.7	-104.3	-34.1	0	0	0	108.8	N279 L283 L284	N279-D281 PolarHBondContact O-N 2.9Å; N279-D281 VanDerWaalsContact O-N 3.15Å; D281-L283 PolarHBondContact O-N 3.44Å; D281-L284 PolarHBondContact O-N 3.08Å; D281-L284 VanDerWaalsContact O-N 3.09Å
282	P	34.4	Very low	32.7	Very low	99 Å²	99	112.6 Å²	112.6	64%	0.643	62%	0.621	S	S	*	*	H	α-helix	trans	-56.5	-18.1	-176.3	-25.3	32.2	0	0	0	114.6	L284 V285 E286	P282-L284 VanDerWaalsContact C-N 3.28Å; P282-L284 PolarHBondContact O-N 3Å; P282-V285 PolarHBondContact O-N 2.94Å; P282-E286 PolarHBondContact O-N 2.95Å
283	L	34.8	Very low	33.3	Very low	124 Å²	124	111.5 Å²	111.5	65%	0.649	61%	0.612	S	S	*	*	H	α-helix	trans	-70.1	-18.8	179	-75.7	166.2	0	0	0	114.1	D281	D281-L283 PolarHBondContact O-N 3.44Å
284	L	33.7	Very low	34.1	Very low	117 Å²	117	112.6 Å²	112.6	61%	0.613	61%	0.607	S	S	*	*	H	α-helix	trans	-83.1	-31.8	175.5	-67	177.6	0	0	0	112.1	D281 P282 N287 E288	D281-L284 PolarHBondContact O-N 3.08Å; D281-L284 VanDerWaalsContact O-N 3.09Å; P282-L284 VanDerWaalsContact C-N 3.28Å; P282-L284 PolarHBondContact O-N 3Å; L284-N287 PolarHBondContact O-N 3.07Å; L284-E288 PolarHBondContact O-N 3.3Å; L284-E288 VanDerWaalsContact O-N 3.12Å
285	V	38	Very low	34.4	Very low	78 Å²	78	113.3 Å²	113.3	47%	0.473	60%	0.602	S	S	.	*	H	α-helix	trans	-70.9	-36.7	-179.9	-176.8	0	0	0	0	111.4	P282 E288 T289	P282-V285 PolarHBondContact O-N 2.94Å; V285-E288 PolarHBondContact O-N 3.04Å; V285-T289 PolarHBondContact O-N 3.5Å; V285-T289 PolarHBondContact O-OG1 3.36Å
286	E	40.8	Very low	34.9	Very low	129 Å²	129	108.6 Å²	108.6	60%	0.603	59%	0.586	S	S	*	*	H	α-helix	trans	-65.1	-37.7	174.8	-87	-174.9	160.6	0	0	112.3	P282 T289 E290	P282-E286 PolarHBondContact O-N 2.95Å; E286-T289 WeakPolarHBondContact CA-OG1 3.34Å; E286-T289 PolarHBondContact O-N 2.98Å; E286-T289 PolarHBondContact O-OG1 2.98Å; E286-E290 WeakPolarHBondContact O-CB 3.36Å; E286-E290 PolarHBondContact O-N 3.41Å
287	N	36.4	Very low	35.5	Very low	108 Å²	108	109.5 Å²	109.5	58%	0.578	58%	0.584	S	S	*	*	H	α-helix	trans	-71	-36.5	177.5	-80.9	-25	0	0	0	112.5	L284 A291	L284-N287 PolarHBondContact O-N 3.07Å; N287-A291 VanDerWaalsContact O-CB 3.24Å; N287-A291 WeakPolarHBondContact O-CB 3.01Å; N287-A291 PolarHBondContact O-N 3.18Å
288	E	39.3	Very low	36.1	Very low	130 Å²	130	111.5 Å²	111.5	61%	0.607	58%	0.583	S	S	*	*	H	α-helix	trans	-69	-40.1	174.7	-75	-174.8	169.4	0	0	111.8	L284 V285 A291 L292	L284-E288 PolarHBondContact O-N 3.3Å; L284-E288 VanDerWaalsContact O-N 3.12Å; V285-E288 PolarHBondContact O-N 3.04Å; E288-A291 PolarHBondContact O-N 3.24Å; E288-L292 WeakPolarHBondContact O-CB 3.34Å; E288-L292 PolarHBondContact O-N 3.3Å
289	T	37.3	Very low	36.4	Very low	78 Å²	78	109.6 Å²	109.6	48%	0.479	58%	0.58	S	S	.	*	H	α-helix	trans	-68.5	-38.8	176	35.3	0	0	0	0	111.9	V285 E286 T293	V285-T289 PolarHBondContact O-N 3.5Å; V285-T289 PolarHBondContact O-OG1 3.36Å; E286-T289 WeakPolarHBondContact CA-OG1 3.34Å; E286-T289 PolarHBondContact O-N 2.98Å; E286-T289 PolarHBondContact O-OG1 2.98Å; T289-T293 VanDerWaalsContact O-CB 3.26Å; T289-T293 WeakPolarHBondContact O-CB 3.41Å; T289-T293 PolarHBondContact O-N 3.47Å; T289-T293 PolarHBondContact O-OG1 2.89Å
290	E	38.8	Very low	36.6	Very low	104 Å²	104	108.1 Å²	108.1	49%	0.486	57%	0.572	S	S	.	*	H	α-helix	trans	-65.1	-38.7	171.5	-79.3	-161.4	-174.5	0	0	112.3	E286 T293 R294	E286-E290 WeakPolarHBondContact O-CB 3.36Å; E286-E290 PolarHBondContact O-N 3.41Å; E290-T293 PolarHBondContact O-N 2.98Å; E290-R294 WeakPolarHBondContact O-CB 3.4Å; E290-R294 VanDerWaalsContact O-CG 3.28Å; E290-R294 WeakPolarHBondContact O-CG 3.39Å; E290-R294 PolarHBondContact O-N 3.37Å; E290-R294 IonicContact OE2-NH2 3.76Å; E290-R294 PolarHBondContact OE2-NH2 3.36Å; E290-R294 VanDerWaalsContact OE2-NH2 3.16Å
291	A	40.3	Very low	36.6	Very low	55 Å²	55	107 Å²	107	46%	0.455	57%	0.572	S	S	.	*	H	α-helix	trans	-66.3	-46.3	177.7	0	0	0	0	0	111.9	N287 E288 T293 R294 Q295	N287-A291 VanDerWaalsContact O-CB 3.24Å; N287-A291 WeakPolarHBondContact O-CB 3.01Å; N287-A291 PolarHBondContact O-N 3.18Å; E288-A291 PolarHBondContact O-N 3.24Å; A291-T293 VanDerWaalsContact C-N 3.35Å; A291-T293 PolarHBondContact O-N 2.97Å; A291-R294 PolarHBondContact O-N 2.9Å; A291-Q295 WeakPolarHBondContact O-CB 3.31Å; A291-Q295 PolarHBondContact O-N 3.45Å
292	L	36.9	Very low	36.9	Very low	99 Å²	99	107.7 Å²	107.7	52%	0.518	58%	0.581	S	S	.	*	H	α-helix	trans	-64.8	-37.9	175.4	-100.4	135.4	0	0	0	112.1	E288 Q295 N296	E288-L292 WeakPolarHBondContact O-CB 3.34Å; E288-L292 PolarHBondContact O-N 3.3Å; L292-Q295 PolarHBondContact O-N 3.43Å; L292-N296 WeakPolarHBondContact O-CB 3.45Å; L292-N296 PolarHBondContact O-N 3.07Å
293	T	39.3	Very low	36.6	Very low	85 Å²	85	107.4 Å²	107.4	52%	0.521	58%	0.581	S	S	.	*	H	α-helix	trans	-69.1	-40	177.1	-48.7	0	0	0	0	110.5	T289 E290 A291 N296 T297	T289-T293 VanDerWaalsContact O-CB 3.26Å; T289-T293 WeakPolarHBondContact O-CB 3.41Å; T289-T293 PolarHBondContact O-N 3.47Å; T289-T293 PolarHBondContact O-OG1 2.89Å; E290-T293 PolarHBondContact O-N 2.98Å; A291-T293 VanDerWaalsContact C-N 3.35Å; A291-T293 PolarHBondContact O-N 2.97Å; T293-N296 PolarHBondContact O-N 3.16Å; T293-T297 WeakPolarHBondContact O-CB 3.18Å; T293-T297 PolarHBondContact O-N 3.12Å; T293-T297 PolarHBondContact O-OG1 3.09Å
294	R	40.4	Very low	36.2	Very low	158 Å²	158	108.8 Å²	108.8	60%	0.596	58%	0.584	S	S	*	*	H	α-helix	trans	-62.4	-43	172.9	-75.9	179.1	-168.9	173.4	13.2	111.6	E290 A291 T297 E298	E290-R294 WeakPolarHBondContact O-CB 3.4Å; E290-R294 VanDerWaalsContact O-CG 3.28Å; E290-R294 WeakPolarHBondContact O-CG 3.39Å; E290-R294 PolarHBondContact O-N 3.37Å; E290-R294 IonicContact OE2-NH2 3.76Å; E290-R294 PolarHBondContact OE2-NH2 3.36Å; E290-R294 VanDerWaalsContact OE2-NH2 3.16Å; A291-R294 PolarHBondContact O-N 2.9Å; R294-T297 PolarHBondContact O-N 3.35Å; R294-E298 WeakPolarHBondContact O-CG 3.48Å; R294-E298 PolarHBondContact O-N 3.33Å
295	Q	38.8	Very low	35.8	Very low	130 Å²	130	110.5 Å²	110.5	61%	0.607	59%	0.592	S	S	*	*	H	α-helix	trans	-66.9	-40.2	-179	-150	174.8	6	0	0	112.2	A291 L292 T297 E298 L299	A291-Q295 WeakPolarHBondContact O-CB 3.31Å; A291-Q295 PolarHBondContact O-N 3.45Å; L292-Q295 PolarHBondContact O-N 3.43Å; Q295-T297 VanDerWaalsContact C-N 3.35Å; Q295-E298 PolarHBondContact O-N 2.98Å; Q295-L299 PolarHBondContact O-N 3.37Å
296	N	36.4	Very low	35.1	Very low	95 Å²	95	112.9 Å²	112.9	51%	0.508	60%	0.602	S	S	.	*	H	α-helix	trans	-71.2	-30	175.3	-77.2	-18.8	0	0	0	112.8	L292 T293 N300	L292-N296 WeakPolarHBondContact O-CB 3.45Å; L292-N296 PolarHBondContact O-N 3.07Å; T293-N296 PolarHBondContact O-N 3.16Å; N296-N300 PolarHBondContact O-N 3.35Å; N296-N300 VanDerWaalsContact O-N 3.15Å; N296-N300 PolarHBondContact O-ND2 3.47Å
297	T	40.4	Very low	34.3	Very low	86 Å²	86	114.7 Å²	114.7	53%	0.528	61%	0.61	S	S	.	*	H	α-helix	trans	-74	-37.8	175.7	-43.5	0	0	0	0	111	T293 R294 Q295 N300 A301	T293-T297 WeakPolarHBondContact O-CB 3.18Å; T293-T297 PolarHBondContact O-N 3.12Å; T293-T297 PolarHBondContact O-OG1 3.09Å; R294-T297 PolarHBondContact O-N 3.35Å; Q295-T297 VanDerWaalsContact C-N 3.35Å; T297-N300 PolarHBondContact O-N 2.97Å; T297-A301 VanDerWaalsContact O-CB 3.25Å; T297-A301 WeakPolarHBondContact O-CB 2.92Å; T297-A301 PolarHBondContact O-N 3.47Å
298	E	38.8	Very low	33.7	Very low	141 Å²	141	115 Å²	115	66%	0.659	62%	0.621	S	S	*	*	H	α-helix	trans	-67.9	-34.6	174	-74.5	-179.6	176.7	0	0	112.2	R294 Q295 V302	R294-E298 WeakPolarHBondContact O-CG 3.48Å; R294-E298 PolarHBondContact O-N 3.33Å; Q295-E298 PolarHBondContact O-N 2.98Å; E298-V302 WeakPolarHBondContact O-CG2 3.28Å
299	L	33.2	Very low	32.9	Very low	130 Å²	130	115.2 Å²	115.2	68%	0.681	63%	0.631	S	S	*	*	H	α-helix	trans	-70	-37.2	176.2	-143.8	90.8	0	0	0	112.4	Q295	Q295-L299 PolarHBondContact O-N 3.37Å
300	N	32.5	Very low	32.2	Very low	114 Å²	114	116.2 Å²	116.2	61%	0.61	64%	0.641	S	S	*	*	H	α-helix	trans	-79.5	-29.4	-179.9	-72.3	-16.6	0	0	0	112.9	N296 T297 V302 S303	N296-N300 PolarHBondContact O-N 3.35Å; N296-N300 VanDerWaalsContact O-N 3.15Å; N296-N300 PolarHBondContact O-ND2 3.47Å; T297-N300 PolarHBondContact O-N 2.97Å; N300-V302 PolarHBondContact O-N 2.85Å; N300-S303 PolarHBondContact O-N 3.2Å; N300-S303 PolarHBondContact O-OG 3.42Å
301	A	30.2	Very low	31.6	Very low	72 Å²	72	118.5 Å²	118.5	60%	0.595	66%	0.657	S	S	*	*	H	α-helix	trans	-72.4	-12.6	179.3	0	0	0	0	0	114.2	T297 S303	T297-A301 VanDerWaalsContact O-CB 3.25Å; T297-A301 WeakPolarHBondContact O-CB 2.92Å; T297-A301 PolarHBondContact O-N 3.47Å; A301-S303 VanDerWaalsContact C-N 3.28Å
302	V	33.8	Very low	30.6	Very low	130 Å²	130	123.5 Å²	123.5	79%	0.788	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-7.3	176	178.3	0	0	0	0	112.2	E298 N300	E298-V302 WeakPolarHBondContact O-CG2 3.28Å; N300-V302 PolarHBondContact O-N 2.85Å
303	S	28.1	Very low	30.2	Very low	92 Å²	92	125.7 Å²	125.7	64%	0.643	69%	0.685	S	S	*	*	S	Bend	trans	-97.1	-6.2	-176.8	69.2	0	0	0	0	116.1	N300 A301	N300-S303 PolarHBondContact O-N 3.2Å; N300-S303 PolarHBondContact O-OG 3.42Å; A301-S303 VanDerWaalsContact C-N 3.28Å
304	E	25.8	Very low	29.3	Very low	153 Å²	153	126.3 Å²	126.3	72%	0.715	69%	0.693	S	S	*	*	S	Bend	trans	-135.6	106.2	-178.3	-75.2	-174.2	169.8	0	0	114.5
305	I	26.1	Very low	28.6	Very low	154 Å²	154	126 Å²	126	79%	0.79	70%	0.701	S	S	*	*			trans	84.7	110.6	133.9	-56.6	166.8	0	0	0	118.3
306	D	23.6	Very low	27.9	Very low	128 Å²	128	131.2 Å²	131.2	68%	0.684	72%	0.715	S	S	*	*			trans	-44.2	145.5	155.9	-116.5	-28.1	0	0	0	114.7
307	H	24.3	Very low	27.2	Very low	166 Å²	166	136.1 Å²	136.1	77%	0.769	73%	0.732	S	S	*	*			trans	69.5	107.2	162.8	-58.1	-61.9	0	0	0	119
308	S	24.2	Very low	26.6	Very low	116 Å²	116	137.3 Å²	137.3	81%	0.811	74%	0.741	S	S	*	*				161.2	108.9	99.9	53.4	0	0	0	0	114.7
309	V	22.2	Very low	26	Very low	134 Å²	134	139.6 Å²	139.6	81%	0.812	75%	0.749	S	S	*	*			trans	22.9	131.6	133.2	-176.5	0	0	0	0	121
310	S	22	Very low	25.3	Very low	99 Å²	99	139.3 Å²	139.3	69%	0.692	75%	0.753	S	S	*	*			trans	72.8	141.4	157.4	74.2	0	0	0	0	116.4
311	N	25.6	Very low	24.9	Very low	152 Å²	152	139.3 Å²	139.3	81%	0.813	76%	0.762	S	S	*	*			cis	-162.5	156.8	39.7	-134.7	-17.2	0	0	0	111
312	M	20.3	Very low	24.4	Very low	160 Å²	160	141.6 Å²	141.6	79%	0.788	77%	0.768	S	S	*	*			trans	-56.5	150	172.2	-70.9	158	69.1	0	0	113.8
313	N	27.3	Very low	24	Very low	145 Å²	145	142 Å²	142	78%	0.775	77%	0.771	S	S	*	*			trans	166.9	104.8	132.4	-81.2	-25.2	0	0	0	109.3
314	S	21.3	Very low	23.6	Very low	98 Å²	98	146.7 Å²	146.7	69%	0.685	78%	0.78	S	S	*	*				43.1	121.7	99.7	109.2	0	0	0	0	114.4
315	I	26	Very low	23.4	Very low	151 Å²	151	147.1 Å²	147.1	77%	0.774	79%	0.786	S	S	*	*			trans	174.3	124	133.8	-86.9	151.4	0	0	0	112.3
316	R	24.7	Very low	23.3	Very low	239 Å²	239	145.1 Å²	145.1	90%	0.902	78%	0.783	S	S	*	*			trans	64.5	108.3	147.8	-77.3	175.9	173.3	172.6	-2.6	124.3
317	K	20.9	Very low	23.3	Very low	199 Å²	199	144.8 Å²	144.8	87%	0.865	79%	0.788	S	S	*	*			trans	-40.4	-172.6	138.1	-56.2	177.9	172.2	179.2	0	115.6
318	P	27.7	Very low	23.2	Very low	110 Å²	110	145.8 Å²	145.8	71%	0.714	79%	0.793	S	S	*	*				-132.2	179.2	-62.8	38.5	-21.9	0	0	0	111.3
319	K	25.5	Very low	23.3	Very low	189 Å²	189	150.5 Å²	150.5	82%	0.822	80%	0.798	S	S	*	*			trans	-172.1	117.8	147.2	-106.3	160.6	-170.4	-173	0	113.5
320	T	20.1	Very low	23.3	Very low	125 Å²	125	147.3 Å²	147.3	77%	0.767	79%	0.793	S	S	*	*			trans	47.5	125.3	134.1	55.9	0	0	0	0	118.6
321	S	22.8	Very low	23.5	Very low	113 Å²	113	149.3 Å²	149.3	79%	0.79	80%	0.795	S	S	*	*				-169.3	118.7	53.3	46.2	0	0	0	0	112.5
322	V	20.7	Very low	23.3	Very low	120 Å²	120	149.7 Å²	149.7	73%	0.727	80%	0.797	S	S	*	*			trans	-3.4	116.9	144.3	-172.2	0	0	0	0	118.1	K324	V322-K324 HydrophobicContact CG1-CG 4.22Å
323	V	24.1	Very low	23.4	Very low	140 Å²	140	151.6 Å²	151.6	85%	0.848	80%	0.797	S	S	*	*			trans	-136	117.8	134.7	178.9	0	0	0	0	108.1
324	K	20.4	Very low	23.1	Very low	190 Å²	190	149.9 Å²	149.9	83%	0.826	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-75.7	123.1	-175.8	-72.7	168	170.5	175.2	0	110.4	V322	V322-K324 HydrophobicContact CG1-CG 4.22Å
325	L	22.5	Very low	23.1	Very low	162 Å²	162	154.2 Å²	154.2	85%	0.848	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-101	146.4	153.2	-92.5	129	0	0	0	109.8
326	P	23.6	Very low	22.9	Very low	111 Å²	111	158.3 Å²	158.3	72%	0.721	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-68.3	159.5	-168.4	-13.1	28.9	0	0	0	113.1
327	P	22.4	Very low	22.7	Very low	122 Å²	122	154.7 Å²	154.7	79%	0.792	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-79.6	147.2	-165.2	32.1	-34.3	0	0	0	114.3
328	E	22.5	Very low	22.7	Very low	187 Å²	187	154.9 Å²	154.9	87%	0.874	81%	0.807	S	S	*	*			trans	-23.2	131.7	161.6	-62	171.1	154.5	0	0	116.1
329	K	27.2	Very low	22.3	Very low	214 Å²	214	160.9 Å²	160.9	93%	0.93	82%	0.815	S	S	*	*			trans	-112.5	97.5	142.5	-85.7	-173.4	176.4	179.3	0	108	L331	K329-L331 PolarHBondContact O-N 3.48Å
330	G	21.7	Very low	22.1	Very low	67 Å²	67	158.8 Å²	158.8	69%	0.691	82%	0.819	S	S	*	*			trans	-60.2	130.1	168.9	0	0	0	0	0	110.6
331	L	25.4	Very low	22.2	Very low	142 Å²	142	157.3 Å²	157.3	74%	0.743	81%	0.813	S	S	*	*			trans	-118.2	99.1	158.6	-139	77.8	0	0	0	107.7	K329 Y333	K329-L331 PolarHBondContact O-N 3.48Å; L331-Y333 HydrophobicContact CD2-CE2 4.09Å; L331-Y333 PolarHBondContact O-N 3.32Å
332	N	21.3	Very low	22.2	Very low	160 Å²	160	158.1 Å²	158.1	86%	0.856	81%	0.814	S	S	*	*			trans	-51.6	112.8	168.9	-79.2	-31.6	0	0	0	110.2
333	Y	22.3	Very low	22.3	Very low	199 Å²	199	158.6 Å²	158.6	78%	0.78	82%	0.816	S	S	*	*			trans	-106.3	124.9	155.8	-83.8	-78.9	0	0	0	109.7	L331	L331-Y333 HydrophobicContact CD2-CE2 4.09Å; L331-Y333 PolarHBondContact O-N 3.32Å
334	P	21.8	Very low	22.3	Very low	109 Å²	109	158.2 Å²	158.2	71%	0.708	81%	0.81	S	S	*	*			trans	-76.7	146.7	-173.2	30.5	-33.2	0	0	0	112.3	R336	P334-R336 PolarHBondContact O-N 3.07Å; P334-R336 VanDerWaalsContact O-N 3.07Å
335	H	21.3	Very low	22.4	Very low	190 Å²	190	158 Å²	158	88%	0.88	81%	0.811	S	S	*	*			trans	-20.1	98.5	164.2	-67.7	-85.9	0	0	0	115.2
336	R	21.1	Very low	22.4	Very low	237 Å²	237	157 Å²	157	89%	0.894	81%	0.807	S	S	*	*			trans	-99.1	102.3	156.6	-154.1	174.1	-167.2	179.4	3.4	107.8	P334 K338	P334-R336 PolarHBondContact O-N 3.07Å; P334-R336 VanDerWaalsContact O-N 3.07Å; R336-K338 PolarHBondContact O-N 2.89Å
337	L	21.4	Very low	22.2	Very low	163 Å²	163	157.7 Å²	157.7	85%	0.853	81%	0.809	S	S	*	*			trans	-49.2	100.9	169.1	-82.5	92.1	0	0	0	109.2	R339	L337-R339 PolarHBondContact O-N 2.84Å
338	K	21	Very low	22.1	Very low	202 Å²	202	156.3 Å²	156.3	88%	0.878	80%	0.799	S	S	*	*			trans	-78.6	113.7	162.5	-89.2	-172.9	176.1	-177.8	0	107.1	R336 T340	R336-K338 PolarHBondContact O-N 2.89Å; K338-T340 PolarHBondContact O-N 2.8Å
339	R	19.2	Very low	22	Very low	237 Å²	237	153.4 Å²	153.4	89%	0.894	79%	0.788	S	S	*	*			trans	-45.9	130.4	166.7	-83.1	175.9	172.4	168.9	-3.5	109.7	L337 S341	L337-R339 PolarHBondContact O-N 2.84Å; R339-S341 PolarHBondContact O-N 3.03Å
340	T	20.5	Very low	21.6	Very low	145 Å²	145	147.9 Å²	147.9	89%	0.89	77%	0.772	S	S	*	*			trans	-55.2	103.7	165.3	48	0	0	0	0	110.8	K338	K338-T340 PolarHBondContact O-N 2.8Å
341	S	22.4	Very low	21.7	Very low	94 Å²	94	154.1 Å²	154.1	66%	0.657	78%	0.776	S	S	*	*			trans	-158.8	101.3	153.2	57.4	0	0	0	0	107.6	R339	R339-S341 PolarHBondContact O-N 3.03Å
342	T	23.3	Very low	21.4	Very low	130 Å²	130	150.6 Å²	150.6	80%	0.798	77%	0.774	S	S	*	*			trans	45.7	87.7	153.7	58.6	0	0	0	0	115.6
343	V	23.5	Very low	21.3	Very low	129 Å²	129	149.7 Å²	149.7	78%	0.782	77%	0.77	S	S	*	*				49.4	84.5	95.5	-176.1	0	0	0	0	110.4
344	D	22.6	Very low	21.2	Very low	133 Å²	133	148.3 Å²	148.3	71%	0.711	77%	0.77	S	S	*	*				92.5	106.3	98.4	-75.8	-23.2	0	0	0	109.9	D346	D344-D346 PolarHBondContact O-N 3.4Å
345	E	23	Very low	21.1	Very low	184 Å²	184	150.4 Å²	150.4	86%	0.86	77%	0.774	S	S	*	*				38.8	48.4	73.5	-75.8	-161.7	-175	0	0	113.3
346	D	22.3	Very low	21	Very low	141 Å²	141	146.4 Å²	146.4	75%	0.754	76%	0.762	S	S	*	*			trans	-156.2	49.9	141.5	-97.6	-20	0	0	0	109.7	D344 V348	D344-D346 PolarHBondContact O-N 3.4Å; D346-V348 PolarHBondContact O-N 3.25Å
347	T	20.8	Very low	20.9	Very low	126 Å²	126	139.5 Å²	139.5	77%	0.773	75%	0.75	S	S	*	*			trans	-73.1	71.6	158.3	-32.7	0	0	0	0	107.7	I349	T347-I349 VanDerWaalsContact C-N 3.28Å; T347-I349 PolarHBondContact O-N 3.27Å
348	V	20.4	Very low	20.7	Very low	94 Å²	94	134.9 Å²	134.9	57%	0.57	74%	0.742	S	S	*	*			trans	-50.7	106.1	151.3	179.9	0	0	0	0	104.1	D346 T350	D346-V348 PolarHBondContact O-N 3.25Å; V348-T350 PolarHBondContact O-N 2.86Å; V348-T350 PolarHBondContact O-OG1 2.8Å
349	I	20.1	Very low	20.6	Very low	125 Å²	125	133 Å²	133	64%	0.641	74%	0.742	S	S	*	*			trans	-68.7	81.5	163.4	-59	174.5	0	0	0	103.8	T347 Y351	T347-I349 VanDerWaalsContact C-N 3.28Å; T347-I349 PolarHBondContact O-N 3.27Å; I349-Y351 HydrophobicContact CG2-CD2 3.82Å; I349-Y351 HydrophobicContact CG2-CE2 3.6Å; I349-Y351 PolarHBondContact O-N 3.01Å
350	T	19.2	Very low	20.7	Very low	98 Å²	98	127.7 Å²	127.7	60%	0.601	74%	0.736	S	S	*	*			trans	-69.5	89.7	167.8	-22.5	0	0	0	0	104.3	V348 G352	V348-T350 PolarHBondContact O-N 2.86Å; V348-T350 PolarHBondContact O-OG1 2.8Å; T350-G352 PolarHBondContact O-N 2.78Å
351	Y	22.1	Very low	20.7	Very low	199 Å²	199	129 Å²	129	78%	0.78	74%	0.737	S	S	*	*			trans	-53.6	117.2	156.9	-78.9	-84.1	0	0	0	105.2	I349 N353	I349-Y351 HydrophobicContact CG2-CD2 3.82Å; I349-Y351 HydrophobicContact CG2-CE2 3.6Å; I349-Y351 PolarHBondContact O-N 3.01Å; Y351-N353 PolarHBondContact O-N 2.8Å
352	G	19.9	Very low	20.6	Very low	68 Å²	68	131.5 Å²	131.5	70%	0.701	74%	0.742	S	S	*	*			trans	-49.9	106.1	-161.9	0	0	0	0	0	112.1	T350 Q354	T350-G352 PolarHBondContact O-N 2.78Å; G352-Q354 PolarHBondContact O-N 2.78Å
353	N	20	Very low	20.7	Very low	141 Å²	141	133.1 Å²	133.1	75%	0.754	75%	0.746	S	S	*	*			trans	-63.4	82.5	139	-82	-5.8	0	0	0	105.5	Y351 I355	Y351-N353 PolarHBondContact O-N 2.8Å; N353-I355 PolarHBondContact O-N 3.34Å
354	Q	19.4	Very low	20.7	Very low	169 Å²	169	131.7 Å²	131.7	79%	0.79	74%	0.742	S	S	*	*			trans	-63.9	95.7	150	-76.8	-165.8	-7.9	0	0	105	G352 V356	G352-Q354 PolarHBondContact O-N 2.78Å; Q354-V356 HydrophobicContact CB-CG2 4.27Å; Q354-V356 PolarHBondContact O-N 2.71Å
355	I	18.9	Very low	20.9	Very low	154 Å²	154	130.2 Å²	130.2	79%	0.79	74%	0.742	S	S	*	*			trans	-60.2	84.9	155.3	-58.7	170.5	0	0	0	104	N353 S357	N353-I355 PolarHBondContact O-N 3.34Å; I355-S357 PolarHBondContact O-N 3.08Å
356	V	19.6	Very low	21.3	Very low	105 Å²	105	129.9 Å²	129.9	64%	0.636	74%	0.741	S	S	*	*			trans	-68.2	98	160.6	178.8	0	0	0	0	103.6	Q354 G358	Q354-V356 HydrophobicContact CB-CG2 4.27Å; Q354-V356 PolarHBondContact O-N 2.71Å; V356-G358 PolarHBondContact O-N 3.43Å
357	S	18.6	Very low	21.8	Very low	92 Å²	92	124.2 Å²	124.2	64%	0.643	72%	0.716	S	S	*	*			trans	-36.3	125.4	164.2	45.5	0	0	0	0	109.6	I355	I355-S357 PolarHBondContact O-N 3.08Å
358	G	17.5	Very low	22.6	Very low	66 Å²	66	120.6 Å²	120.6	68%	0.68	69%	0.693	S	S	*	*	S	Bend	trans	-51.3	150.8	176.8	0	0	0	0	0	112.5	V356	V356-G358 PolarHBondContact O-N 3.43Å
359	N	19.8	Very low	23.6	Very low	162 Å²	162	118.2 Å²	118.2	87%	0.866	68%	0.679	S	S	*	*			trans	108.9	31.9	164.4	-60.3	-6.5	0	0	0	119.3
360	T	20.4	Very low	24.8	Very low	127 Å²	127	113 Å²	113	78%	0.779	65%	0.654	S	S	*	*	S	Bend	trans	-127.8	96.2	156.6	49.6	0	0	0	0	112
361	L	21	Very low	26.3	Very low	172 Å²	172	108.7 Å²	108.7	90%	0.901	63%	0.627	S	S	*	*			trans	36.9	112	146.6	-95.8	72.3	0	0	0	119.1
362	N	20.9	Very low	27.9	Very low	146 Å²	146	100 Å²	100	78%	0.781	60%	0.595	S	S	*	*	S	Bend	trans	-37.9	142.8	143.7	-63.7	-25.6	0	0	0	112.7
363	N	24.5	Very low	29.7	Very low	165 Å²	165	99.1 Å²	99.1	88%	0.882	57%	0.574	S	S	*	*			trans	122.4	20.9	156.9	-62.1	-4.6	0	0	0	118.7
364	S	24.7	Very low	31.3	Very low	98 Å²	98	98.4 Å²	98.4	69%	0.685	57%	0.566	S	S	*	*			trans	-145.9	85.8	152.8	63.5	0	0	0	0	109.5	E366	S364-E366 VanDerWaalsContact C-N 3.3Å; S364-E366 PolarHBondContact O-N 3.35Å
365	S	25.9	Very low	33.3	Very low	103 Å²	103	90.9 Å²	90.9	72%	0.72	53%	0.533	S	S	*	.			trans	-54.9	104.4	154.1	44.1	0	0	0	0	106.4	G367	S365-G367 PolarHBondContact O-N 3.34Å
366	E	30.6	Very low	35.4	Very low	177 Å²	177	83.5 Å²	83.5	83%	0.827	50%	0.495	S	S	*	.			trans	-60.2	89.2	169.5	-81.3	178.5	162.3	0	0	106.8	S364	S364-E366 VanDerWaalsContact C-N 3.3Å; S364-E366 PolarHBondContact O-N 3.35Å
367	G	33	Very low	37.6	Very low	22 Å²	22	82 Å²	82	23%	0.227	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-64.9	135.4	180	0	0	0	0	0	109.4	S365	S365-G367 PolarHBondContact O-N 3.34Å
368	V	38.9	Very low	39.8	Very low	50 Å²	50	80.9 Å²	80.9	30%	0.303	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-57.2	127.4	172.3	-179.5	0	0	0	0	108.2	V370	V368-V370 PolarHBondContact O-N 3.19Å
369	P	39.7	Very low	42.2	Very low	43 Å²	43	78.2 Å²	78.2	28%	0.279	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-60	131.2	-175.4	26.1	-38.6	0	0	0	111.7	C442 F443	P369-C442 HydrophobicContact CB-CB 3.29Å; P369-C442 VanDerWaalsContact CB-SG 3.57Å; P369-C442 HydrophobicContact CG-CB 3.41Å; P369-C442 VanDerWaalsContact CG-CB 3.41Å; P369-C442 VanDerWaalsContact CG-SG 3.54Å; P369-F443 WeakPolarHBondContact CA-O 3.5Å; P369-F443 WeakPolarHBondContact CB-O 3.35Å
370	V	46.5	Very low	44.5	Very low	16 Å²	16	70.6 Å²	70.6	10%	0.097	39%	0.394	C	S	.	.			trans	-95.4	-24	-168.3	-177.5	0	0	0	0	113	L59 V368 M476 P513	L59-V370 HydrophobicContact CB-CB 4.19Å; L59-V370 HydrophobicContact CB-CG1 4.47Å; L59-V370 HydrophobicContact CB-CG2 4.44Å; L59-V370 HydrophobicContact CD1-CB 4.38Å; V368-V370 PolarHBondContact O-N 3.19Å; V370-M476 HydrophobicContact CG1-CE 3.15Å; V370-M476 HydrophobicContact CG1-SD 3.7Å; V370-P513 VanDerWaalsContact C-CG 3.45Å; V370-P513 WeakPolarHBondContact O-CG 3.29Å
371	M	51.2	Low	46.8	Very low	7 Å²	7	65.6 Å²	65.6	3%	0.034	37%	0.368	C	S	.	.	S	Bend	trans	-162.3	153.2	179.4	-167	175.5	-65.3	0	0	110.2	A375 V376 I379 L472 M476	M371-A375 HydrophobicContact CG-CB 3.79Å; M371-A375 HydrophobicContact SD-CB 3.88Å; M371-V376 HydrophobicContact CB-CG2 4.19Å; M371-V376 HydrophobicContact CG-CG2 3.96Å; M371-V376 HydrophobicContact SD-CB 4.47Å; M371-V376 HydrophobicContact SD-CG2 3.51Å; M371-V376 VanDerWaalsContact SD-CG2 3.51Å; M371-I379 HydrophobicContact SD-CD1 4.23Å; M371-L472 HydrophobicContact CE-CD2 3.98Å; M371-L472 HydrophobicContact SD-CD2 3.71Å; M371-M476 HydrophobicContact CE-CG 3.71Å; M371-M476 HydrophobicContact CE-SD 4.2Å
372	S	54.9	Low	49.2	Very low	17 Å²	17	61.2 Å²	61.2	12%	0.119	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-74.6	145.7	168.5	53.7	0	0	0	0	111.6	E374 A375 V376 E516	S372-E374 VanDerWaalsContact C-N 3.27Å; S372-E374 PolarHBondContact O-N 2.74Å; S372-A375 PolarHBondContact O-N 3.21Å; S372-A375 VanDerWaalsContact OG-CB 3.28Å; S372-A375 WeakPolarHBondContact OG-CB 3.28Å; S372-V376 PolarHBondContact O-N 3.2Å; S372-E516 WeakPolarHBondContact CB-OE1 3.24Å; S372-E516 PolarHBondContact OG-OE1 3.3Å
373	L	57.4	Low	51.5	Low	50 Å²	50	54.8 Å²	54.8	26%	0.262	31%	0.312	S	S	.	.	H	α-helix	trans	-61.8	-33.3	179.8	-172.9	67.6	0	0	0	112.6	V376 N377 F443 V447 L449	L373-V376 PolarHBondContact O-N 3.28Å; L373-N377 WeakPolarHBondContact O-CB 3.47Å; L373-N377 PolarHBondContact O-N 3.12Å; L373-N377 PolarHBondContact O-ND2 3.31Å; L373-F443 HydrophobicContact CB-CD2 3.87Å; L373-F443 HydrophobicContact CB-CE2 3.69Å; L373-F443 HydrophobicContact CD1-CD2 4.44Å; L373-F443 HydrophobicContact CD1-CE2 4.35Å; L373-F443 HydrophobicContact CD2-CD2 4.47Å; L373-F443 HydrophobicContact CD2-CE2 3.64Å; L373-F443 HydrophobicContact CD2-CZ 4.03Å; L373-F443 HydrophobicContact CG-CD2 4.48Å; L373-F443 HydrophobicContact CG-CE2 4.08Å; L373-V447 HydrophobicContact CD1-CG1 3.34Å; L373-L449 HydrophobicContact CD1-CD2 4.02Å
374	E	54.8	Low	53.6	Low	126 Å²	126	47.3 Å²	47.3	59%	0.589	27%	0.272	S	S	*	.	H	α-helix	trans	-70.3	-34.7	178.6	-25.3	-176.9	146.6	0	0	111.8	S372 N377 R378 E516	S372-E374 VanDerWaalsContact C-N 3.27Å; S372-E374 PolarHBondContact O-N 2.74Å; E374-N377 PolarHBondContact O-N 2.84Å; E374-R378 WeakPolarHBondContact O-CB 3.31Å; E374-R378 PolarHBondContact O-N 3.12Å; E374-E516 WeakPolarHBondContact CA-OE1 3.46Å; E374-E516 WeakPolarHBondContact CB-OE1 3.46Å; E374-E516 VanDerWaalsContact CD-OE2 3.29Å; E374-E516 WeakPolarHBondContact CG-OE1 3.28Å; E374-E516 WeakPolarHBondContact CG-OE2 3.22Å; E374-E516 PolarHBondContact N-OE1 3.22Å
375	A	60.6	Low	55.7	Low	10 Å²	10	46.8 Å²	46.8	8%	0.083	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-43.9	173	0	0	0	0	0	111.4	M371 S372 R378 I379 E516	M371-A375 HydrophobicContact CG-CB 3.79Å; M371-A375 HydrophobicContact SD-CB 3.88Å; S372-A375 PolarHBondContact O-N 3.21Å; S372-A375 VanDerWaalsContact OG-CB 3.28Å; S372-A375 WeakPolarHBondContact OG-CB 3.28Å; A375-R378 PolarHBondContact O-N 3.13Å; A375-I379 WeakPolarHBondContact O-CB 3.47Å; A375-I379 WeakPolarHBondContact O-CD1 3.37Å; A375-I379 VanDerWaalsContact O-CG1 3.24Å; A375-I379 WeakPolarHBondContact O-CG1 3.46Å; A375-I379 PolarHBondContact O-N 3.31Å; A375-E516 PolarHBondContact N-OE1 3.36Å
376	V	62.8	Low	57.6	Low	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.5	-55.7	173.8	179.6	0	0	0	0	110.3	I57 M371 S372 L373 R378 I379 V380 V447 L449 L472	I57-V376 HydrophobicContact CD1-CG1 3.7Å; M371-V376 HydrophobicContact CB-CG2 4.19Å; M371-V376 HydrophobicContact CG-CG2 3.96Å; M371-V376 HydrophobicContact SD-CB 4.47Å; M371-V376 HydrophobicContact SD-CG2 3.51Å; M371-V376 VanDerWaalsContact SD-CG2 3.51Å; S372-V376 PolarHBondContact O-N 3.2Å; L373-V376 PolarHBondContact O-N 3.28Å; V376-R378 VanDerWaalsContact C-N 3.27Å; V376-R378 PolarHBondContact O-N 3.23Å; V376-I379 PolarHBondContact O-N 3.34Å; V376-I379 VanDerWaalsContact O-N 3.13Å; V376-V380 HydrophobicContact CG1-CG2 4.29Å; V376-V380 VanDerWaalsContact O-CG2 3.27Å; V376-V380 WeakPolarHBondContact O-CG2 3.45Å; V376-V380 PolarHBondContact O-N 3.09Å; V376-V447 HydrophobicContact CG1-CG1 4.26Å; V376-L449 HydrophobicContact CG1-CD1 3.98Å; V376-L449 HydrophobicContact CG1-CD2 4.11Å; V376-L449 HydrophobicContact CG1-CG 4.47Å; V376-L472 HydrophobicContact CB-CD2 4.45Å; V376-L472 HydrophobicContact CG1-CD2 4.35Å; V376-L472 HydrophobicContact CG2-CD2 4.24Å
377	N	65.6	Low	58.9	Low	73 Å²	73	45.7 Å²	45.7	39%	0.39	24%	0.236	S	C	.	.	H	α-helix	trans	-53.9	-42.3	178.7	-87.8	-44.9	0	0	0	112.6	L373 E374 G381 L449	L373-N377 WeakPolarHBondContact O-CB 3.47Å; L373-N377 PolarHBondContact O-N 3.12Å; L373-N377 PolarHBondContact O-ND2 3.31Å; E374-N377 PolarHBondContact O-N 2.84Å; N377-G381 PolarHBondContact O-N 3.18Å; N377-L449 WeakPolarHBondContact OD1-CD2 3.37Å
378	R	65.4	Low	59.9	Low	69 Å²	69	49.2 Å²	49.2	26%	0.26	25%	0.248	S	C	.	.	H	α-helix	trans	-67.7	-44.8	178.5	176.7	-176.8	61	110.3	-4.1	112	E374 A375 V376 V380 G381 D382 I519	E374-R378 WeakPolarHBondContact O-CB 3.31Å; E374-R378 PolarHBondContact O-N 3.12Å; A375-R378 PolarHBondContact O-N 3.13Å; V376-R378 VanDerWaalsContact C-N 3.27Å; V376-R378 PolarHBondContact O-N 3.23Å; R378-V380 VanDerWaalsContact C-N 3.32Å; R378-G381 PolarHBondContact O-N 3.29Å; R378-D382 VanDerWaalsContact O-CB 3.31Å; R378-D382 WeakPolarHBondContact O-CB 3.11Å; R378-D382 PolarHBondContact O-N 3.04Å; R378-I519 VanDerWaalsContact CZ-CG1 3.45Å
379	I	67.1	Low	60.3	Low	10 Å²	10	52.1 Å²	52.1	5%	0.051	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-45.9	179.3	-72.3	165.3	0	0	0	109.3	M371 A375 V376 D382 V383 E471 L472 E475	M371-I379 HydrophobicContact SD-CD1 4.23Å; A375-I379 WeakPolarHBondContact O-CB 3.47Å; A375-I379 WeakPolarHBondContact O-CD1 3.37Å; A375-I379 VanDerWaalsContact O-CG1 3.24Å; A375-I379 WeakPolarHBondContact O-CG1 3.46Å; A375-I379 PolarHBondContact O-N 3.31Å; V376-I379 PolarHBondContact O-N 3.34Å; V376-I379 VanDerWaalsContact O-N 3.13Å; I379-D382 PolarHBondContact O-N 3.21Å; I379-V383 VanDerWaalsContact O-CG2 3.28Å; I379-V383 WeakPolarHBondContact O-CG2 3.03Å; I379-V383 PolarHBondContact O-N 3.48Å; I379-E471 HydrophobicContact CG2-CB 3.76Å; I379-L472 HydrophobicContact CB-CD2 4.05Å; I379-L472 HydrophobicContact CD1-CD2 3.73Å; I379-L472 HydrophobicContact CG1-CD2 4.5Å; I379-L472 HydrophobicContact CG2-CD2 3.96Å; I379-L472 HydrophobicContact CG2-CG 3.94Å; I379-E475 HydrophobicContact CD1-CB 4.09Å; I379-E475 HydrophobicContact CD1-CG 4.27Å
380	V	69.3	Low	60.6	Low	1 Å²	1	54.4 Å²	54.4	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-60.5	-48.8	175.8	-179	0	0	0	0	110.5	I57 V376 R378 D382 V383 L384 L449 M451 I468	I57-V380 HydrophobicContact CD1-CG2 4.42Å; V376-V380 HydrophobicContact CG1-CG2 4.29Å; V376-V380 VanDerWaalsContact O-CG2 3.27Å; V376-V380 WeakPolarHBondContact O-CG2 3.45Å; V376-V380 PolarHBondContact O-N 3.09Å; R378-V380 VanDerWaalsContact C-N 3.32Å; V380-D382 PolarHBondContact O-N 2.67Å; V380-V383 PolarHBondContact O-N 3.43Å; V380-L384 HydrophobicContact CG1-CD1 3.8Å; V380-L384 HydrophobicContact CG1-CG 4.33Å; V380-L384 VanDerWaalsContact O-CG 3.3Å; V380-L384 WeakPolarHBondContact O-CG 3.29Å; V380-L384 PolarHBondContact O-N 3.24Å; V380-L449 HydrophobicContact CG2-CD1 3.92Å; V380-M451 HydrophobicContact CB-CE 4.22Å; V380-M451 HydrophobicContact CG1-CE 3.33Å; V380-M451 HydrophobicContact CG1-SD 4.42Å; V380-I468 HydrophobicContact CG1-CD1 3.86Å; V380-I468 HydrophobicContact CG1-CG1 4.46Å; V380-I468 HydrophobicContact CG2-CD1 4.47Å; V380-I468 HydrophobicContact CG2-CG2 3.73Å
381	G	68.9	Low	60.5	Low	23 Å²	23	58 Å²	58	24%	0.237	30%	0.3	C	S	.	.	H	α-helix	trans	-62.2	-37	177.7	0	0	0	0	0	114.3	N377 R378 N385	N377-G381 PolarHBondContact O-N 3.18Å; R378-G381 PolarHBondContact O-N 3.29Å; G381-N385 VanDerWaalsContact O-CB 3.27Å; G381-N385 WeakPolarHBondContact O-CB 3.3Å; G381-N385 VanDerWaalsContact O-CG 3.32Å; G381-N385 PolarHBondContact O-N 3.22Å; G381-N385 PolarHBondContact O-ND2 3.08Å
382	D	69.7	Low	59.8	Low	79 Å²	79	61.1 Å²	61.1	42%	0.422	32%	0.323	S	S	.	.	H	α-helix	trans	-69	-37.9	176.5	-84.2	-15.2	0	0	0	111.3	R378 I379 V380 R386	R378-D382 VanDerWaalsContact O-CB 3.31Å; R378-D382 WeakPolarHBondContact O-CB 3.11Å; R378-D382 PolarHBondContact O-N 3.04Å; I379-D382 PolarHBondContact O-N 3.21Å; V380-D382 PolarHBondContact O-N 2.67Å; D382-R386 WeakPolarHBondContact O-CB 3.39Å; D382-R386 VanDerWaalsContact O-CG 3.27Å; D382-R386 WeakPolarHBondContact O-CG 3.43Å; D382-R386 PolarHBondContact O-N 2.82Å
383	V	69.7	Low	58.7	Low	12 Å²	12	65.7 Å²	65.7	7%	0.073	35%	0.35	C	S	.	.	H	α-helix	trans	-67.6	-46.8	176.1	173.3	0	0	0	0	110.6	I379 V380 R386 Q387 I464 A467 I468 E471	I379-V383 VanDerWaalsContact O-CG2 3.28Å; I379-V383 WeakPolarHBondContact O-CG2 3.03Å; I379-V383 PolarHBondContact O-N 3.48Å; V380-V383 PolarHBondContact O-N 3.43Å; V383-R386 PolarHBondContact O-N 2.92Å; V383-Q387 PolarHBondContact O-N 3.2Å; V383-I464 HydrophobicContact CG1-CG2 4.44Å; V383-A467 HydrophobicContact CG1-CB 3.92Å; V383-I468 HydrophobicContact CB-CG1 4.07Å; V383-I468 HydrophobicContact CG1-CG1 3.86Å; V383-I468 HydrophobicContact CG2-CG1 4.41Å; V383-E471 HydrophobicContact CG2-CB 4.38Å; V383-E471 HydrophobicContact CG2-CG 4.29Å
384	L	69.1	Low	57.5	Low	8 Å²	8	67.8 Å²	67.8	4%	0.042	37%	0.369	C	S	.	.	H	α-helix	trans	-61.8	-43.9	176.6	-67.5	170.8	0	0	0	111.7	V380 R386 Q387 M388 M451 Q458 L459 I464	V380-L384 HydrophobicContact CG1-CD1 3.8Å; V380-L384 HydrophobicContact CG1-CG 4.33Å; V380-L384 VanDerWaalsContact O-CG 3.3Å; V380-L384 WeakPolarHBondContact O-CG 3.29Å; V380-L384 PolarHBondContact O-N 3.24Å; L384-R386 PolarHBondContact O-N 3.5Å; L384-Q387 PolarHBondContact O-N 2.88Å; L384-M388 PolarHBondContact O-N 2.89Å; L384-M451 HydrophobicContact CD1-CE 4.45Å; L384-M451 HydrophobicContact CD1-SD 4.21Å; L384-Q458 HydrophobicContact CD2-CB 4.12Å; L384-L459 HydrophobicContact CD1-CD1 4.37Å; L384-L459 HydrophobicContact CD2-CD1 4.01Å; L384-I464 HydrophobicContact CD2-CG2 4.01Å
385	N	69.3	Low	56.3	Low	87 Å²	87	70.5 Å²	70.5	47%	0.465	39%	0.387	S	S	.	.	H	α-helix	trans	-65.2	-37.8	177.5	-82.6	-52.7	0	0	0	113.3	G381 Q387 M388 I389	G381-N385 VanDerWaalsContact O-CB 3.27Å; G381-N385 WeakPolarHBondContact O-CB 3.3Å; G381-N385 VanDerWaalsContact O-CG 3.32Å; G381-N385 PolarHBondContact O-N 3.22Å; G381-N385 PolarHBondContact O-ND2 3.08Å; N385-Q387 VanDerWaalsContact C-N 3.27Å; N385-Q387 PolarHBondContact O-N 2.82Å; N385-M388 PolarHBondContact O-N 3.42Å; N385-I389 PolarHBondContact O-N 3.38Å
386	R	64.7	Low	54.6	Low	189 Å²	189	73.4 Å²	73.4	71%	0.713	41%	0.411	S	S	*	.	H	α-helix	trans	-61.8	-37.6	177.3	-80.9	172.4	-179.5	-115.5	3.2	111.9	D382 V383 L384 I389 T390	D382-R386 WeakPolarHBondContact O-CB 3.39Å; D382-R386 VanDerWaalsContact O-CG 3.27Å; D382-R386 WeakPolarHBondContact O-CG 3.43Å; D382-R386 PolarHBondContact O-N 2.82Å; V383-R386 PolarHBondContact O-N 2.92Å; L384-R386 PolarHBondContact O-N 3.5Å; R386-I389 PolarHBondContact O-N 3Å; R386-T390 PolarHBondContact O-N 2.95Å; R386-T390 PolarHBondContact O-OG1 2.84Å; R386-T390 VanDerWaalsContact O-OG1 3.13Å
387	Q	58.6	Low	52.8	Low	67 Å²	67	79 Å²	79	31%	0.313	45%	0.447	S	S	.	.	H	α-helix	trans	-66.4	-38.2	178.2	-74.9	-87.3	-1.1	0	0	112.4	V383 L384 N385 I389 T390 S391 I464	V383-Q387 PolarHBondContact O-N 3.2Å; L384-Q387 PolarHBondContact O-N 2.88Å; N385-Q387 VanDerWaalsContact C-N 3.27Å; N385-Q387 PolarHBondContact O-N 2.82Å; Q387-I389 VanDerWaalsContact C-N 3.29Å; Q387-I389 PolarHBondContact O-N 2.93Å; Q387-T390 WeakPolarHBondContact CA-OG1 3.28Å; Q387-T390 PolarHBondContact O-N 2.93Å; Q387-T390 PolarHBondContact O-OG1 3.3Å; Q387-S391 PolarHBondContact O-N 3.24Å; Q387-S391 PolarHBondContact O-OG 3.45Å; Q387-I464 HydrophobicContact CG-CD1 4.1Å; Q387-I464 HydrophobicContact CG-CG1 4.15Å
388	M	52.8	Low	50.9	Low	96 Å²	96	81 Å²	81	47%	0.473	46%	0.464	S	S	.	.	H	α-helix	trans	-60.7	-38.1	173.9	-70.9	-141.9	-170.5	0	0	112.4	L384 N385 S391 S392	L384-M388 PolarHBondContact O-N 2.89Å; N385-M388 PolarHBondContact O-N 3.42Å; M388-S391 WeakPolarHBondContact CA-OG 3.21Å; M388-S391 PolarHBondContact O-OG 3.02Å; M388-S391 VanDerWaalsContact O-OG 3.08Å; M388-S392 VanDerWaalsContact O-CB 3.32Å; M388-S392 WeakPolarHBondContact O-CB 3.44Å; M388-S392 PolarHBondContact O-N 2.71Å; M388-S392 PolarHBondContact O-OG 2.98Å
389	I	47.7	Very low	49	Very low	112 Å²	112	85.8 Å²	85.8	57%	0.574	49%	0.489	S	S	*	.	H	α-helix	trans	-68.2	-44.5	179.2	-60.4	169.8	0	0	0	110.4	N385 R386 Q387 S391 S392 T393	N385-I389 PolarHBondContact O-N 3.38Å; R386-I389 PolarHBondContact O-N 3Å; Q387-I389 VanDerWaalsContact C-N 3.29Å; Q387-I389 PolarHBondContact O-N 2.93Å; I389-S391 PolarHBondContact O-N 3.49Å; I389-S392 PolarHBondContact O-N 2.83Å; I389-S392 PolarHBondContact O-OG 3.07Å; I389-T393 PolarHBondContact O-N 2.96Å
390	T	46.9	Very low	47	Very low	90 Å²	90	95.7 Å²	95.7	55%	0.552	53%	0.532	S	S	*	.	H	α-helix	trans	-68.7	-30.7	178.9	35.7	0	0	0	0	113.9	R386 Q387 T393	R386-T390 PolarHBondContact O-N 2.95Å; R386-T390 PolarHBondContact O-OG1 2.84Å; R386-T390 VanDerWaalsContact O-OG1 3.13Å; Q387-T390 WeakPolarHBondContact CA-OG1 3.28Å; Q387-T390 PolarHBondContact O-N 2.93Å; Q387-T390 PolarHBondContact O-OG1 3.3Å; T390-T393 PolarHBondContact O-OG1 3.33Å
391	S	44.1	Very low	44.8	Very low	91 Å²	91	101.3 Å²	101.3	64%	0.636	57%	0.567	S	S	*	*	H	α-helix	trans	-75.1	-27.8	172.6	45.6	0	0	0	0	112.2	Q387 M388 I389 T393	Q387-S391 PolarHBondContact O-N 3.24Å; Q387-S391 PolarHBondContact O-OG 3.45Å; M388-S391 WeakPolarHBondContact CA-OG 3.21Å; M388-S391 PolarHBondContact O-OG 3.02Å; M388-S391 VanDerWaalsContact O-OG 3.08Å; I389-S391 PolarHBondContact O-N 3.49Å; S391-T393 PolarHBondContact O-N 2.85Å
392	S	36.2	Very low	42.7	Very low	74 Å²	74	104.2 Å²	104.2	52%	0.517	59%	0.589	S	S	.	*	H	α-helix	trans	-80.2	-5.4	178.7	73.2	0	0	0	0	115.7	M388 I389 S394	M388-S392 VanDerWaalsContact O-CB 3.32Å; M388-S392 WeakPolarHBondContact O-CB 3.44Å; M388-S392 PolarHBondContact O-N 2.71Å; M388-S392 PolarHBondContact O-OG 2.98Å; I389-S392 PolarHBondContact O-N 2.83Å; I389-S392 PolarHBondContact O-OG 3.07Å; S392-S394 PolarHBondContact O-N 2.94Å
393	T	31.6	Very low	40.4	Very low	112 Å²	112	109.2 Å²	109.2	69%	0.687	61%	0.607	S	S	*	*			trans	-71.3	27.1	176.2	38.9	0	0	0	0	115	I389 T390 S391 L395	I389-T393 PolarHBondContact O-N 2.96Å; T390-T393 PolarHBondContact O-OG1 3.33Å; S391-T393 PolarHBondContact O-N 2.85Å; T393-L395 PolarHBondContact O-N 2.57Å
394	S	33.5	Very low	38.2	Very low	94 Å²	94	114.1 Å²	114.1	66%	0.657	64%	0.639	S	S	*	*	S	Bend	trans	-79.7	89.8	162.6	178.3	0	0	0	0	109.6	S392 A396	S392-S394 PolarHBondContact O-N 2.94Å; S394-A396 PolarHBondContact O-N 3.13Å
395	L	28.4	Very low	35.9	Very low	184 Å²	184	122.4 Å²	122.4	96%	0.963	67%	0.674	S	S	*	*	S	Bend	trans	39.1	7.8	153.1	-97.4	130.1	0	0	0	122.7	T393	T393-L395 PolarHBondContact O-N 2.57Å
396	A	24.6	Very low	33.7	Very low	71 Å²	71	126.4 Å²	126.4	59%	0.587	70%	0.695	S	S	*	*	S	Bend	trans	-114.6	130.4	173.1	0	0	0	0	0	109.7	S394	S394-A396 PolarHBondContact O-N 3.13Å
397	P	25	Very low	31.6	Very low	117 Å²	117	120.8 Å²	120.8	76%	0.76	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-59.8	130.6	173.4	25.6	-30	0	0	0	108	E399	P397-E399 PolarHBondContact O-N 2.77Å
398	P	27.4	Very low	29.8	Very low	116 Å²	116	124 Å²	124	75%	0.753	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-64.3	116.9	-174.9	24.6	-30.6	0	0	0	108.3	F400	P398-F400 PolarHBondContact O-N 2.77Å
399	E	24.6	Very low	28.3	Very low	168 Å²	168	125 Å²	125	79%	0.785	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-51	128.2	154.9	-75.6	-176.4	158.3	0	0	106.2	P397 T401	P397-E399 PolarHBondContact O-N 2.77Å; E399-T401 PolarHBondContact O-N 3.3Å
400	F	25.3	Very low	26.9	Very low	218 Å²	218	128.6 Å²	128.6	96%	0.956	73%	0.729	S	S	*	*			trans	-63.2	69.4	176.7	-109.5	-99.1	0	0	0	109.1	P398 A402	P398-F400 PolarHBondContact O-N 2.77Å; F400-A402 PolarHBondContact O-N 3.13Å
401	T	22.8	Very low	25.5	Very low	119 Å²	119	127 Å²	127	73%	0.73	72%	0.722	S	S	*	*			trans	-70.5	114.8	165.4	50.7	0	0	0	0	105	E399 K403	E399-T401 PolarHBondContact O-N 3.3Å; T401-K403 PolarHBondContact O-N 3.14Å
402	A	23.8	Very low	24.4	Very low	85 Å²	85	129.3 Å²	129.3	70%	0.702	73%	0.734	S	S	*	*			trans	-44.7	128.6	-178.3	0	0	0	0	0	108.8	F400 P404	F400-A402 PolarHBondContact O-N 3.13Å; A402-P404 VanDerWaalsContact O-N 3.15Å
403	K	23.1	Very low	23.5	Very low	184 Å²	184	135.7 Å²	135.7	80%	0.8	75%	0.747	S	S	*	*			trans	-31.1	126.5	165.2	-74.6	179.7	173.4	-177.3	0	107.5	T401 K405	T401-K403 PolarHBondContact O-N 3.14Å; K403-K405 PolarHBondContact O-N 2.73Å
404	P	23.3	Very low	22.9	Very low	115 Å²	115	135 Å²	135	75%	0.747	75%	0.747	S	S	*	*			trans	-53.6	107	170.4	22.3	-28.8	0	0	0	104.2	A402 L406	A402-P404 VanDerWaalsContact O-N 3.15Å; P404-L406 PolarHBondContact O-N 2.77Å
405	K	20.7	Very low	22.2	Very low	181 Å²	181	137.6 Å²	137.6	79%	0.787	75%	0.752	S	S	*	*			trans	-63.7	102.6	172.6	-81.5	178.1	175.9	176	0	100.5	K403 S407	K403-K405 PolarHBondContact O-N 2.73Å; K405-S407 WeakPolarHBondContact O-CA 3.44Å; K405-S407 WeakPolarHBondContact O-CB 2.98Å; K405-S407 PolarHBondContact O-N 2.67Å
406	L	23.5	Very low	21.8	Very low	172 Å²	172	137.2 Å²	137.2	90%	0.901	75%	0.745	S	S	*	*			trans	-59.2	94.8	150.6	-131.2	125.6	0	0	0	102.7	P404 V408	P404-L406 PolarHBondContact O-N 2.77Å; L406-V408 PolarHBondContact O-N 3.47Å
407	S	20.2	Very low	21.5	Very low	71 Å²	71	136.6 Å²	136.6	50%	0.497	74%	0.736	S	S	.	*			trans	-80.5	100.2	-152.1	66.2	0	0	0	0	103.9	K405 I409	K405-S407 WeakPolarHBondContact O-CA 3.44Å; K405-S407 WeakPolarHBondContact O-CB 2.98Å; K405-S407 PolarHBondContact O-N 2.67Å; S407-I409 PolarHBondContact O-N 2.87Å; S407-I409 WeakPolarHBondContact OG-CD1 3.44Å; S407-I409 WeakPolarHBondContact OG-CG1 3.48Å
408	V	21.4	Very low	21.3	Very low	134 Å²	134	136.4 Å²	136.4	81%	0.812	74%	0.738	S	S	*	*			trans	-66.3	67	157.1	-172.8	0	0	0	0	105.7	L406 Q410	L406-V408 PolarHBondContact O-N 3.47Å; V408-Q410 VanDerWaalsContact C-N 3.25Å; V408-Q410 PolarHBondContact O-N 3.21Å
409	I	19.6	Very low	20.9	Very low	118 Å²	118	139.5 Å²	139.5	61%	0.605	74%	0.736	S	S	*	*			trans	-71.2	98.6	167.5	-63.4	175.1	0	0	0	102.6	S407 S411	S407-I409 PolarHBondContact O-N 2.87Å; S407-I409 WeakPolarHBondContact OG-CD1 3.44Å; S407-I409 WeakPolarHBondContact OG-CG1 3.48Å; I409-S411 PolarHBondContact O-N 2.83Å
410	Q	19.9	Very low	20.8	Very low	186 Å²	186	138.5 Å²	138.5	87%	0.869	73%	0.734	S	S	*	*			trans	-59.9	67.3	155.9	-74.4	-179.9	-42.2	0	0	108	V408	V408-Q410 VanDerWaalsContact C-N 3.25Å; V408-Q410 PolarHBondContact O-N 3.21Å
411	S	17.3	Very low	20.5	Very low	58 Å²	58	137 Å²	137	41%	0.406	73%	0.73	S	S	.	*			trans	-88.1	122.7	156.6	67.8	0	0	0	0	104.6	I409 R413	I409-S411 PolarHBondContact O-N 2.83Å; S411-R413 PolarHBondContact O-N 3.5Å
412	P	19.7	Very low	20.5	Very low	138 Å²	138	135.5 Å²	135.5	90%	0.896	72%	0.721	S	S	*	*			trans	-70.7	32.9	175.3	30.5	-33.7	0	0	0	111.4	S414	P412-S414 VanDerWaalsContact C-N 3.27Å; P412-S414 PolarHBondContact O-N 3.42Å
413	R	17.6	Very low	20.4	Very low	208 Å²	208	139.2 Å²	139.2	79%	0.785	72%	0.723	S	S	*	*			trans	-67.5	99.1	164.7	-78.5	-174.3	170.5	167.8	-1.6	105.7	S411 I415	S411-R413 PolarHBondContact O-N 3.5Å; R413-I415 PolarHBondContact O-N 2.76Å; R413-I415 VanDerWaalsContact O-N 3.12Å
414	S	18.6	Very low	20.5	Very low	98 Å²	98	136.6 Å²	136.6	69%	0.685	73%	0.725	S	S	*	*			trans	-7.9	110.9	148.3	55.4	0	0	0	0	109.7	P412 H416	P412-S414 VanDerWaalsContact C-N 3.27Å; P412-S414 PolarHBondContact O-N 3.42Å; S414-H416 PolarHBondContact O-N 3.13Å
415	I	19.3	Very low	20.5	Very low	148 Å²	148	138.1 Å²	138.1	76%	0.759	73%	0.727	S	S	*	*			trans	-52.9	90.4	175.1	-64.2	163.7	0	0	0	106.4	R413 S417	R413-I415 PolarHBondContact O-N 2.76Å; R413-I415 VanDerWaalsContact O-N 3.12Å; I415-S417 PolarHBondContact O-N 3.25Å
416	H	19.2	Very low	20.7	Very low	177 Å²	177	134 Å²	134	82%	0.819	71%	0.714	S	S	*	*			trans	-69.7	77	139	-100.9	39.6	0	0	0	103.1	S414 S418	S414-H416 PolarHBondContact O-N 3.13Å; H416-S418 VanDerWaalsContact C-N 3.28Å; H416-S418 PolarHBondContact O-N 3.29Å
417	S	19.8	Very low	20.7	Very low	57 Å²	57	131.8 Å²	131.8	40%	0.399	71%	0.71	S	S	.	*			trans	-43.3	115.3	138.5	159.1	0	0	0	0	102.6	I415 Y419	I415-S417 PolarHBondContact O-N 3.25Å; S417-Y419 WeakPolarHBondContact O-CD2 3.2Å; S417-Y419 PolarHBondContact O-N 3.36Å
418	S	19.5	Very low	20.8	Very low	114 Å²	114	133.7 Å²	133.7	80%	0.797	72%	0.719	S	S	*	*			trans	-54.2	85.6	158.7	26.2	0	0	0	0	104.6	H416 I420	H416-S418 VanDerWaalsContact C-N 3.28Å; H416-S418 PolarHBondContact O-N 3.29Å; S418-I420 PolarHBondContact O-N 3.48Å; S418-I420 VanDerWaalsContact O-N 3.1Å
419	Y	20.3	Very low	20.8	Very low	181 Å²	181	131.4 Å²	131.4	71%	0.71	71%	0.705	S	S	*	*			trans	-51.7	122.3	169.1	-83	-88.7	0	0	0	103.7	S417 Q421	S417-Y419 WeakPolarHBondContact O-CD2 3.2Å; S417-Y419 PolarHBondContact O-N 3.36Å; Y419-Q421 PolarHBondContact O-N 3.07Å
420	I	21.2	Very low	20.9	Very low	147 Å²	147	130 Å²	130	75%	0.754	71%	0.711	S	S	*	*			trans	-38.2	103.3	149.7	-60	168.5	0	0	0	105.2	S418 T422	S418-I420 PolarHBondContact O-N 3.48Å; S418-I420 VanDerWaalsContact O-N 3.1Å; I420-T422 HydrophobicContact CG2-CG2 3.76Å; I420-T422 PolarHBondContact O-N 3.41Å
421	Q	20.7	Very low	20.8	Very low	186 Å²	186	130.4 Å²	130.4	87%	0.869	71%	0.712	S	S	*	*			trans	-73.2	85.7	164.5	-84.7	-173.8	-31.2	0	0	104.2	Y419 E423	Y419-Q421 PolarHBondContact O-N 3.07Å; Q421-E423 PolarHBondContact O-N 3.44Å; Q421-E423 VanDerWaalsContact O-N 3.16Å
422	T	21.8	Very low	21.1	Very low	88 Å²	88	136.9 Å²	136.9	54%	0.54	73%	0.733	S	S	.	*			trans	-64.1	111.5	159.7	37.6	0	0	0	0	106	I420 V429	I420-T422 HydrophobicContact CG2-CG2 3.76Å; I420-T422 PolarHBondContact O-N 3.41Å; T422-V429 HydrophobicContact CG2-CG2 4.5Å
423	E	21.8	Very low	21.1	Very low	162 Å²	162	141.3 Å²	141.3	76%	0.757	73%	0.732	S	S	*	*			trans	-54.7	130.4	168.3	-73.9	-169.2	159.3	0	0	108.2	Q421 N425	Q421-E423 PolarHBondContact O-N 3.44Å; Q421-E423 VanDerWaalsContact O-N 3.16Å; E423-N425 PolarHBondContact O-N 2.73Å
424	P	24.6	Very low	21.3	Very low	129 Å²	129	136.1 Å²	136.1	84%	0.838	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	6.5	-168.8	24.7	-32.3	0	0	0	114.9
425	N	24.5	Very low	21.5	Very low	148 Å²	148	138 Å²	138	79%	0.791	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	11.6	-173	-78.2	-12.4	0	0	0	114.9	E423 P427	E423-N425 PolarHBondContact O-N 2.73Å; N425-P427 WeakPolarHBondContact O-CD 3.27Å
426	D	24.3	Very low	21.7	Very low	94 Å²	94	138.4 Å²	138.4	50%	0.503	73%	0.733	S	S	.	*			trans	-93.2	106.2	173.4	-156.5	-25.8	0	0	0	111.3	T428 V429	D426-T428 PolarHBondContact O-N 2.69Å; D426-T428 VanDerWaalsContact O-N 3.08Å; D426-T428 PolarHBondContact OD1-N 3.06Å; D426-T428 PolarHBondContact OD1-OG1 3.01Å; D426-T428 PolarHBondContact OD2-OG1 3.2Å; D426-V429 PolarHBondContact O-N 3.11Å
427	P	23.6	Very low	22	Very low	126 Å²	126	139.2 Å²	139.2	82%	0.818	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	1	-178.9	30.8	-35.7	0	0	0	113.5	N425 V429	N425-P427 WeakPolarHBondContact O-CD 3.27Å; P427-V429 VanDerWaalsContact C-N 3.3Å
428	T	23	Very low	22.2	Very low	111 Å²	111	139.8 Å²	139.8	68%	0.681	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-12.5	174.5	56.9	0	0	0	0	113.7	D426 A430	D426-T428 PolarHBondContact O-N 2.69Å; D426-T428 VanDerWaalsContact O-N 3.08Å; D426-T428 PolarHBondContact OD1-N 3.06Å; D426-T428 PolarHBondContact OD1-OG1 3.01Å; D426-T428 PolarHBondContact OD2-OG1 3.2Å; T428-A430 PolarHBondContact O-N 2.91Å
429	V	21.3	Very low	22.5	Very low	86 Å²	86	139.9 Å²	139.9	52%	0.521	75%	0.751	S	S	.	*			trans	-93.3	80	179.3	-169.9	0	0	0	0	110.4	T422 D426 P427 H431	T422-V429 HydrophobicContact CG2-CG2 4.5Å; D426-V429 PolarHBondContact O-N 3.11Å; P427-V429 VanDerWaalsContact C-N 3.3Å; V429-H431 PolarHBondContact O-N 3.23Å; V429-H431 VanDerWaalsContact O-N 3.16Å
430	A	20.2	Very low	22.8	Very low	89 Å²	89	135.6 Å²	135.6	74%	0.736	74%	0.74	S	S	*	*			trans	-61.6	116.1	171.6	0	0	0	0	0	110.3	T428 K432	T428-A430 PolarHBondContact O-N 2.91Å; A430-K432 PolarHBondContact O-N 3.34Å
431	H	19.7	Very low	23.1	Very low	194 Å²	194	131.5 Å²	131.5	90%	0.898	73%	0.728	S	S	*	*			trans	-55.6	100.2	171.8	-70.1	-72.9	0	0	0	111.3	V429	V429-H431 PolarHBondContact O-N 3.23Å; V429-H431 VanDerWaalsContact O-N 3.16Å
432	K	22	Very low	23.7	Very low	193 Å²	193	126.5 Å²	126.5	84%	0.839	71%	0.713	S	S	*	*			trans	-117.6	117.8	162.2	-99.9	-178.5	176.9	178.5	0	110.8	A430	A430-K432 PolarHBondContact O-N 3.34Å
433	R	21	Very low	24.1	Very low	232 Å²	232	126.2 Å²	126.2	88%	0.875	70%	0.704	S	S	*	*			trans	-53.1	127.4	-175.7	-162.2	172.3	-174.2	164.5	-1.8	110	D435	R433-D435 PolarHBondContact O-N 3.02Å
434	S	21.9	Very low	25.1	Very low	98 Å²	98	122.7 Å²	122.7	69%	0.685	69%	0.694	S	S	*	*			trans	-60.1	113.4	173.9	58.8	0	0	0	0	109.8
435	D	22.3	Very low	26	Very low	139 Å²	139	118.1 Å²	118.1	74%	0.743	67%	0.665	S	S	*	*			trans	-68.2	132.1	162.1	-71	-29.6	0	0	0	107.8	R433 F437	R433-D435 PolarHBondContact O-N 3.02Å; D435-F437 PolarHBondContact O-N 3.26Å
436	N	23.4	Very low	27.1	Very low	155 Å²	155	113.6 Å²	113.6	83%	0.829	64%	0.643	S	S	*	*			trans	-67.5	28.6	-168.3	-74.9	-33.2	0	0	0	115.3	G438	N436-G438 PolarHBondContact O-N 3.39Å
437	F	24.8	Very low	28.5	Very low	194 Å²	194	109.1 Å²	109.1	85%	0.851	62%	0.619	S	S	*	*	S	Bend	trans	-69.1	123.9	166.6	-84.9	-87.1	0	0	0	108.7	D435 S439	D435-F437 PolarHBondContact O-N 3.26Å; F437-S439 PolarHBondContact O-N 2.85Å
438	G	23.8	Very low	30	Very low	69 Å²	69	105.6 Å²	105.6	71%	0.711	60%	0.597	S	S	*	*			trans	-44.8	135.8	177.1	0	0	0	0	0	111.4	N436 N440	N436-G438 PolarHBondContact O-N 3.39Å; G438-N440 PolarHBondContact O-N 3.22Å
439	S	25.8	Very low	31.5	Very low	117 Å²	117	100.6 Å²	100.6	82%	0.818	57%	0.566	S	S	*	*	S	Bend	trans	-67.2	59.9	-162.8	70.1	0	0	0	0	115.9	F437 A441	F437-S439 PolarHBondContact O-N 2.85Å; S439-A441 VanDerWaalsContact C-N 3.26Å; S439-A441 PolarHBondContact O-N 3.2Å
440	N	27.5	Very low	33.3	Very low	90 Å²	90	102.9 Å²	102.9	48%	0.481	57%	0.569	S	S	.	*			trans	-86.8	81.6	155.5	-71	-0.2	0	0	0	106	G438 C442	G438-N440 PolarHBondContact O-N 3.22Å; N440-C442 PolarHBondContact O-N 3.25Å
441	A	28.4	Very low	35.1	Very low	62 Å²	62	99.5 Å²	99.5	51%	0.512	54%	0.539	S	S	.	.			trans	-54.8	102.3	179.1	0	0	0	0	0	108.8	S439 F443	S439-A441 VanDerWaalsContact C-N 3.26Å; S439-A441 PolarHBondContact O-N 3.2Å; A441-F443 HydrophobicContact CB-CD2 4.45Å; A441-F443 HydrophobicContact CB-CE2 3.85Å; A441-F443 HydrophobicContact CB-CZ 4.19Å; A441-F443 WeakPolarHBondContact O-CD2 3.49Å; A441-F443 WeakPolarHBondContact O-CE2 3.16Å; A441-F443 PolarHBondContact O-N 3.16Å
442	C	31.7	Very low	36.9	Very low	81 Å²	81	93.4 Å²	93.4	55%	0.547	52%	0.516	S	S	.	.	B	Isolated β-bridge	trans	-81.3	107	176.7	-107	0	0	0	0	106.2	P369 N440	P369-C442 HydrophobicContact CB-CB 3.29Å; P369-C442 VanDerWaalsContact CB-SG 3.57Å; P369-C442 HydrophobicContact CG-CB 3.41Å; P369-C442 VanDerWaalsContact CG-CB 3.41Å; P369-C442 VanDerWaalsContact CG-SG 3.54Å; N440-C442 PolarHBondContact O-N 3.25Å
443	F	31	Very low	38.6	Very low	81 Å²	81	86.9 Å²	86.9	36%	0.355	50%	0.495	S	S	.	.			trans	-78.7	162.4	-172.3	-77.7	-88.4	0	0	0	112.7	P369 L373 A441 V447	P369-F443 WeakPolarHBondContact CA-O 3.5Å; P369-F443 WeakPolarHBondContact CB-O 3.35Å; L373-F443 HydrophobicContact CB-CD2 3.87Å; L373-F443 HydrophobicContact CB-CE2 3.69Å; L373-F443 HydrophobicContact CD1-CD2 4.44Å; L373-F443 HydrophobicContact CD1-CE2 4.35Å; L373-F443 HydrophobicContact CD2-CD2 4.47Å; L373-F443 HydrophobicContact CD2-CE2 3.64Å; L373-F443 HydrophobicContact CD2-CZ 4.03Å; L373-F443 HydrophobicContact CG-CD2 4.48Å; L373-F443 HydrophobicContact CG-CE2 4.08Å; A441-F443 HydrophobicContact CB-CD2 4.45Å; A441-F443 HydrophobicContact CB-CE2 3.85Å; A441-F443 HydrophobicContact CB-CZ 4.19Å; A441-F443 WeakPolarHBondContact O-CD2 3.49Å; A441-F443 WeakPolarHBondContact O-CE2 3.16Å; A441-F443 PolarHBondContact O-N 3.16Å; F443-V447 HydrophobicContact CB-CG2 3.91Å; F443-V447 HydrophobicContact CG-CG2 4.47Å
444	T	41.5	Very low	40.4	Very low	89 Å²	89	80.2 Å²	80.2	55%	0.546	48%	0.484	S	S	.	.			trans	-60.5	-179	174.7	70.9	0	0	0	0	111.3	V446	T444-V446 PolarHBondContact O-N 2.98Å; T444-V446 PolarHBondContact OG1-N 2.77Å; T444-V446 PolarHBondContact OG1-O 3.43Å
445	S	45.2	Very low	42.1	Very low	32 Å²	32	78.2 Å²	78.2	22%	0.224	46%	0.464	C	S	.	.	S	Bend	trans	-55.5	-12.1	175.4	48.3	0	0	0	0	115	L59 E60	L59-S445 WeakPolarHBondContact CA-O 3.48Å; L59-S445 WeakPolarHBondContact CB-O 3.24Å; L59-S445 PolarHBondContact N-O 3.01Å; E60-S445 VanDerWaalsContact CG-CB 3.44Å; E60-S445 PolarHBondContact N-O 3.29Å; E60-S445 WeakPolarHBondContact OE1-CB 3.37Å
446	V	46.5	Very low	43.6	Very low	53 Å²	53	73.4 Å²	73.4	32%	0.321	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.6	-179.5	-174.1	0	0	0	0	110.4	E56 I57 T444	E56-V446 HydrophobicContact CB-CG1 4.1Å; E56-V446 HydrophobicContact CG-CG1 4.06Å; I57-V446 WeakPolarHBondContact O-CA 3.26Å; T444-V446 PolarHBondContact O-N 2.98Å; T444-V446 PolarHBondContact OG1-N 2.77Å; T444-V446 PolarHBondContact OG1-O 3.43Å
447	V	54.6	Low	45.3	Very low	1 Å²	1	72.5 Å²	72.5	1%	0.006	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	120.7	174.6	166.7	0	0	0	0	109.7	E56 I57 L59 L373 V376 F443 L449	E56-V447 CarbonylContact C-O 3.6Å; E56-V447 WeakPolarHBondContact CA-O 3.48Å; I57-V447 PolarHBondContact N-O 3Å; I57-V447 PolarHBondContact O-N 3.42Å; L59-V447 HydrophobicContact CD1-CB 4.36Å; L59-V447 HydrophobicContact CD1-CG2 3.45Å; L59-V447 VanDerWaalsContact CD1-CG2 3.45Å; L59-V447 HydrophobicContact CG-CG2 4.26Å; L373-V447 HydrophobicContact CD1-CG1 3.34Å; V376-V447 HydrophobicContact CG1-CG1 4.26Å; F443-V447 HydrophobicContact CB-CG2 3.91Å; F443-V447 HydrophobicContact CG-CG2 4.47Å; V447-L449 HydrophobicContact CG1-CD2 4.02Å; V447-L449 HydrophobicContact CG1-CG 4.13Å
448	S	54.1	Low	47	Very low	52 Å²	52	65.4 Å²	65.4	36%	0.364	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.8	171.3	-174.5	0	0	0	0	110.6	V55	V55-S448 CarbonylContact O-C 3.17Å; V55-S448 WeakPolarHBondContact O-CA 3.45Å
449	L	55.9	Low	48.7	Very low	6 Å²	6	62.5 Å²	62.5	3%	0.031	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	123.6	178	-58.7	164.3	0	0	0	109.4	E54 V55 I57 L373 V376 N377 V380 V447 M451	E54-L449 CarbonylContact C-O 3.59Å; E54-L449 WeakPolarHBondContact CA-O 3.3Å; V55-L449 HydrophobicContact CB-CB 4.23Å; V55-L449 PolarHBondContact N-O 3.08Å; V55-L449 PolarHBondContact O-N 2.84Å; I57-L449 HydrophobicContact CD1-CD1 3.5Å; I57-L449 VanDerWaalsContact CD1-CD1 3.5Å; I57-L449 HydrophobicContact CD1-CG 4.46Å; I57-L449 HydrophobicContact CG1-CD1 4.35Å; L373-L449 HydrophobicContact CD1-CD2 4.02Å; V376-L449 HydrophobicContact CG1-CD1 3.98Å; V376-L449 HydrophobicContact CG1-CD2 4.11Å; V376-L449 HydrophobicContact CG1-CG 4.47Å; N377-L449 WeakPolarHBondContact OD1-CD2 3.37Å; V380-L449 HydrophobicContact CG2-CD1 3.92Å; V447-L449 HydrophobicContact CG1-CD2 4.02Å; V447-L449 HydrophobicContact CG1-CG 4.13Å; L449-M451 HydrophobicContact CB-CE 4.27Å; L449-M451 HydrophobicContact CD1-CE 4.16Å
450	K	57.9	Low	50.4	Low	134 Å²	134	61.5 Å²	61.5	58%	0.583	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	123.4	168.9	-76.8	-171.5	177	-170.7	0	110.6	V53 E54	V53-K450 WeakPolarHBondContact O-CA 3.14Å; E54-K450 HydrophobicContact CG-CD 4.47Å; E54-K450 HydrophobicContact CG-CG 3.75Å; E54-K450 WeakPolarHBondContact OE1-CE 3.38Å; E54-K450 IonicContact OE1-NZ 3.16Å; E54-K450 PolarHBondContact OE1-NZ 3.43Å
451	M	58.1	Low	52.3	Low	18 Å²	18	60.3 Å²	60.3	9%	0.089	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.4	177.2	-65.2	-167.5	174.2	0	0	111.9	D52 V53 V380 L384 L449 L459	D52-M451 WeakPolarHBondContact CA-O 3.45Å; V53-M451 PolarHBondContact N-O 3.2Å; V53-M451 PolarHBondContact O-N 3.06Å; V380-M451 HydrophobicContact CB-CE 4.22Å; V380-M451 HydrophobicContact CG1-CE 3.33Å; V380-M451 HydrophobicContact CG1-SD 4.42Å; L384-M451 HydrophobicContact CD1-CE 4.45Å; L384-M451 HydrophobicContact CD1-SD 4.21Å; L449-M451 HydrophobicContact CB-CE 4.27Å; L449-M451 HydrophobicContact CD1-CE 4.16Å; M451-L459 HydrophobicContact SD-CD1 3.99Å
452	P	58.7	Low	54.1	Low	66 Å²	66	61.9 Å²	61.9	43%	0.429	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	139.4	173.8	-14.8	27.1	0	0	0	110.5	S454 E455	P452-S454 PolarHBondContact O-N 3.42Å; P452-E455 PolarHBondContact O-N 2.84Å
453	S	56.5	Low	56	Low	55 Å²	55	60.9 Å²	60.9	39%	0.385	35%	0.349	S	S	.	.	H	α-helix	trans	-51.8	-23.6	176.6	38.9	0	0	0	0	114.9	D51 E455 L456	D51-S453 WeakPolarHBondContact O-CB 3.29Å; D51-S453 PolarHBondContact O-N 2.8Å; D51-S453 PolarHBondContact O-OG 3.45Å; S453-E455 PolarHBondContact O-N 3.46Å; S453-L456 WeakPolarHBondContact O-CB 3.36Å; S453-L456 PolarHBondContact O-N 3.32Å
454	S	59.4	Low	57.9	Low	93 Å²	93	57.4 Å²	57.4	65%	0.65	33%	0.333	S	S	*	.	H	α-helix	trans	-61.7	-26.3	173.1	57.7	0	0	0	0	114.1	P452	P452-S454 PolarHBondContact O-N 3.42Å
455	E	57.5	Low	59.2	Low	56 Å²	56	54.1 Å²	54.1	26%	0.262	31%	0.314	S	S	.	.	H	α-helix	trans	-91.1	-10.5	178.6	-64.6	-175.1	166.4	0	0	112.6	P452 S453 N457 Q458 L459	P452-E455 PolarHBondContact O-N 2.84Å; S453-E455 PolarHBondContact O-N 3.46Å; E455-N457 VanDerWaalsContact C-N 3.31Å; E455-N457 PolarHBondContact O-N 3.13Å; E455-Q458 WeakPolarHBondContact O-CB 3.43Å; E455-Q458 PolarHBondContact O-N 3.25Å; E455-L459 PolarHBondContact O-N 3.12Å
456	L	54.1	Low	60.3	Low	37 Å²	37	58.6 Å²	58.6	19%	0.194	33%	0.331	C	S	.	.	H	α-helix	trans	-56.2	-42.8	-178.8	179.8	58.8	0	0	0	112.9	L45 V53 S453 Q458 L459 N460	L45-L456 HydrophobicContact CD2-CD1 4.07Å; V53-L456 HydrophobicContact CB-CD1 4.14Å; V53-L456 HydrophobicContact CG1-CD1 3.71Å; V53-L456 HydrophobicContact CG2-CB 3.99Å; V53-L456 HydrophobicContact CG2-CD1 3.54Å; V53-L456 HydrophobicContact CG2-CD2 3.82Å; V53-L456 HydrophobicContact CG2-CG 3.94Å; S453-L456 WeakPolarHBondContact O-CB 3.36Å; S453-L456 PolarHBondContact O-N 3.32Å; L456-Q458 PolarHBondContact O-N 3.5Å; L456-Q458 VanDerWaalsContact O-N 3.12Å; L456-L459 PolarHBondContact O-N 3.07Å; L456-N460 PolarHBondContact O-N 3.36Å
457	N	58.7	Low	61.5	Low	136 Å²	136	57.5 Å²	57.5	73%	0.727	33%	0.328	S	S	*	.	H	α-helix	trans	-61.9	-21.5	179.3	-77.8	-22.8	0	0	0	112.8	E455	E455-N457 VanDerWaalsContact C-N 3.31Å; E455-N457 PolarHBondContact O-N 3.13Å
458	Q	59.5	Low	62.2	Low	46 Å²	46	57.5 Å²	57.5	22%	0.215	33%	0.328	C	S	.	.	H	α-helix	trans	-82.9	-41.1	177.5	-59.4	178.4	33.3	0	0	111.5	L384 E455 L456 N460 D461 I464	L384-Q458 HydrophobicContact CD2-CB 4.12Å; E455-Q458 WeakPolarHBondContact O-CB 3.43Å; E455-Q458 PolarHBondContact O-N 3.25Å; L456-Q458 PolarHBondContact O-N 3.5Å; L456-Q458 VanDerWaalsContact O-N 3.12Å; Q458-N460 VanDerWaalsContact C-N 3.28Å; Q458-N460 PolarHBondContact O-N 2.9Å; Q458-D461 WeakPolarHBondContact O-CB 3.49Å; Q458-D461 PolarHBondContact O-N 3.09Å; Q458-D461 VanDerWaalsContact O-N 3.15Å; Q458-I464 HydrophobicContact CB-CD1 4.14Å; Q458-I464 VanDerWaalsContact O-CD1 3.27Å; Q458-I464 WeakPolarHBondContact O-CD1 3.47Å
459	L	59.2	Low	63.1	Low	7 Å²	7	55.7 Å²	55.7	4%	0.037	31%	0.314	C	S	.	.	H	α-helix	trans	-70.9	-24.1	178.7	-100.4	89.8	0	0	0	113.6	L45 V55 L384 M451 E455 L456 D461 C465	L45-L459 HydrophobicContact CD1-CB 4.43Å; L45-L459 HydrophobicContact CD2-CB 4.16Å; L45-L459 HydrophobicContact CD2-CD2 4.06Å; V55-L459 HydrophobicContact CB-CD2 4.18Å; V55-L459 HydrophobicContact CG1-CD2 3.69Å; V55-L459 HydrophobicContact CG2-CD2 3.4Å; L384-L459 HydrophobicContact CD1-CD1 4.37Å; L384-L459 HydrophobicContact CD2-CD1 4.01Å; M451-L459 HydrophobicContact SD-CD1 3.99Å; E455-L459 PolarHBondContact O-N 3.12Å; L456-L459 PolarHBondContact O-N 3.07Å; L459-D461 PolarHBondContact O-N 3.17Å; L459-D461 VanDerWaalsContact O-N 3.13Å; L459-C465 PolarHBondContact O-SG 3.49Å
460	N	62.8	Low	63.7	Low	96 Å²	96	59.5 Å²	59.5	51%	0.513	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.5	171.8	-75.7	-19.8	0	0	0	113	L456 Q458 P462	L456-N460 PolarHBondContact O-N 3.36Å; Q458-N460 VanDerWaalsContact C-N 3.28Å; Q458-N460 PolarHBondContact O-N 2.9Å; N460-P462 VanDerWaalsContact O-CD 3.3Å; N460-P462 WeakPolarHBondContact O-CD 3.21Å
461	D	67.3	Low	64.3	Low	66 Å²	66	56.5 Å²	56.5	35%	0.353	32%	0.323	S	S	.	.	S	Bend	trans	-77.9	113.4	171.2	-168.7	-25.3	0	0	0	110.2	Q458 L459 S463 I464 C465	Q458-D461 WeakPolarHBondContact O-CB 3.49Å; Q458-D461 PolarHBondContact O-N 3.09Å; Q458-D461 VanDerWaalsContact O-N 3.15Å; L459-D461 PolarHBondContact O-N 3.17Å; L459-D461 VanDerWaalsContact O-N 3.13Å; D461-S463 PolarHBondContact O-N 3.29Å; D461-S463 VanDerWaalsContact O-N 3.11Å; D461-S463 VanDerWaalsContact OD1-CB 3.25Å; D461-S463 WeakPolarHBondContact OD1-CB 3.36Å; D461-S463 PolarHBondContact OD1-N 3.28Å; D461-S463 PolarHBondContact OD1-OG 2.96Å; D461-S463 PolarHBondContact OD2-OG 3.24Å; D461-I464 HydrophobicContact CB-CB 4.34Å; D461-I464 HydrophobicContact CB-CD1 4.04Å; D461-I464 HydrophobicContact CB-CG1 4.09Å; D461-I464 PolarHBondContact O-N 3.46Å; D461-C465 PolarHBondContact O-N 3.36Å
462	P	65.7	Low	64.8	Low	95 Å²	95	55.7 Å²	55.7	62%	0.617	32%	0.319	S	S	*	.	H	α-helix	trans	-59.7	-25.7	179.3	24.5	-33.8	0	0	0	112.5	N460 I464 Q466	N460-P462 VanDerWaalsContact O-CD 3.3Å; N460-P462 WeakPolarHBondContact O-CD 3.21Å; P462-I464 VanDerWaalsContact C-N 3.34Å; P462-Q466 VanDerWaalsContact O-CB 3.31Å; P462-Q466 WeakPolarHBondContact O-CB 3.3Å; P462-Q466 PolarHBondContact O-N 3.09Å
463	S	71.5	Confident	65.1	Low	60 Å²	60	54.4 Å²	54.4	42%	0.42	31%	0.307	S	S	.	.	H	α-helix	trans	-67.8	-33.8	176.7	74.5	0	0	0	0	112.6	D461 A467	D461-S463 PolarHBondContact O-N 3.29Å; D461-S463 VanDerWaalsContact O-N 3.11Å; D461-S463 VanDerWaalsContact OD1-CB 3.25Å; D461-S463 WeakPolarHBondContact OD1-CB 3.36Å; D461-S463 PolarHBondContact OD1-N 3.28Å; D461-S463 PolarHBondContact OD1-OG 2.96Å; D461-S463 PolarHBondContact OD2-OG 3.24Å; S463-A467 WeakPolarHBondContact O-CB 3.37Å; S463-A467 PolarHBondContact O-N 3.36Å
464	I	70.3	Confident	65.4	Low	7 Å²	7	57.1 Å²	57.1	4%	0.036	31%	0.312	C	S	.	.	H	α-helix	trans	-74.1	-46.9	177.4	-67.4	178	0	0	0	109.8	V383 L384 Q387 Q458 D461 P462 Q466 A467 I468	V383-I464 HydrophobicContact CG1-CG2 4.44Å; L384-I464 HydrophobicContact CD2-CG2 4.01Å; Q387-I464 HydrophobicContact CG-CD1 4.1Å; Q387-I464 HydrophobicContact CG-CG1 4.15Å; Q458-I464 HydrophobicContact CB-CD1 4.14Å; Q458-I464 VanDerWaalsContact O-CD1 3.27Å; Q458-I464 WeakPolarHBondContact O-CD1 3.47Å; D461-I464 HydrophobicContact CB-CB 4.34Å; D461-I464 HydrophobicContact CB-CD1 4.04Å; D461-I464 HydrophobicContact CB-CG1 4.09Å; D461-I464 PolarHBondContact O-N 3.46Å; P462-I464 VanDerWaalsContact C-N 3.34Å; I464-Q466 VanDerWaalsContact C-N 3.29Å; I464-Q466 PolarHBondContact O-N 2.91Å; I464-A467 WeakPolarHBondContact O-CB 3.36Å; I464-A467 PolarHBondContact O-N 2.87Å; I464-A467 VanDerWaalsContact O-N 3.08Å; I464-I468 HydrophobicContact CG2-CD1 4.06Å; I464-I468 WeakPolarHBondContact O-CG1 2.96Å; I464-I468 PolarHBondContact O-N 3.41Å
465	C	69.9	Low	65.7	Low	20 Å²	20	54.2 Å²	54.2	14%	0.135	29%	0.288	C	S	.	.	H	α-helix	trans	-54.4	-46.8	173.8	-79	0	0	0	0	111.5	L43 L459 D461 A467 I468 V469	L43-C465 HydrophobicContact CD1-CB 3.56Å; L43-C465 WeakPolarHBondContact CD1-O 3.19Å; L459-C465 PolarHBondContact O-SG 3.49Å; D461-C465 PolarHBondContact O-N 3.36Å; C465-A467 VanDerWaalsContact C-N 3.34Å; C465-A467 PolarHBondContact O-N 2.96Å; C465-I468 PolarHBondContact O-N 3.34Å; C465-V469 WeakPolarHBondContact O-CG2 3.38Å; C465-V469 PolarHBondContact O-N 3.49Å
466	Q	68.4	Low	65.7	Low	126 Å²	126	53 Å²	53	59%	0.589	28%	0.283	S	S	*	.	H	α-helix	trans	-67.2	-33.6	177.9	-163.2	162.7	15.9	0	0	112.6	P462 I464 N470	P462-Q466 VanDerWaalsContact O-CB 3.31Å; P462-Q466 WeakPolarHBondContact O-CB 3.3Å; P462-Q466 PolarHBondContact O-N 3.09Å; I464-Q466 VanDerWaalsContact C-N 3.29Å; I464-Q466 PolarHBondContact O-N 2.91Å; Q466-N470 VanDerWaalsContact O-CB 3.28Å; Q466-N470 WeakPolarHBondContact O-CB 3.32Å; Q466-N470 PolarHBondContact O-N 2.94Å; Q466-N470 PolarHBondContact O-ND2 3.31Å
467	A	71.7	Confident	65.9	Low	31 Å²	31	53.8 Å²	53.8	26%	0.256	29%	0.292	S	S	.	.	H	α-helix	trans	-66	-40.6	173.6	0	0	0	0	0	112.6	V383 S463 I464 C465 N470 E471	V383-A467 HydrophobicContact CG1-CB 3.92Å; S463-A467 WeakPolarHBondContact O-CB 3.37Å; S463-A467 PolarHBondContact O-N 3.36Å; I464-A467 WeakPolarHBondContact O-CB 3.36Å; I464-A467 PolarHBondContact O-N 2.87Å; I464-A467 VanDerWaalsContact O-N 3.08Å; C465-A467 VanDerWaalsContact C-N 3.34Å; C465-A467 PolarHBondContact O-N 2.96Å; A467-N470 PolarHBondContact O-N 3.33Å; A467-E471 PolarHBondContact O-N 3.01Å
468	I	69.4	Low	65.9	Low	1 Å²	1	50.4 Å²	50.4	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-52.2	174.4	-69.8	166.5	0	0	0	109.9	V380 V383 I464 C465 N470 E471 L472	V380-I468 HydrophobicContact CG1-CD1 3.86Å; V380-I468 HydrophobicContact CG1-CG1 4.46Å; V380-I468 HydrophobicContact CG2-CD1 4.47Å; V380-I468 HydrophobicContact CG2-CG2 3.73Å; V383-I468 HydrophobicContact CB-CG1 4.07Å; V383-I468 HydrophobicContact CG1-CG1 3.86Å; V383-I468 HydrophobicContact CG2-CG1 4.41Å; I464-I468 HydrophobicContact CG2-CD1 4.06Å; I464-I468 WeakPolarHBondContact O-CG1 2.96Å; I464-I468 PolarHBondContact O-N 3.41Å; C465-I468 PolarHBondContact O-N 3.34Å; I468-N470 VanDerWaalsContact C-N 3.32Å; I468-N470 PolarHBondContact O-N 3.41Å; I468-E471 PolarHBondContact O-N 3.49Å; I468-L472 HydrophobicContact CG2-CD1 3.7Å; I468-L472 HydrophobicContact CG2-CG 4.32Å; I468-L472 WeakPolarHBondContact O-CB 3.42Å; I468-L472 WeakPolarHBondContact O-CG 3.11Å; I468-L472 PolarHBondContact O-N 3.36Å
469	V	71.7	Confident	65.6	Low	13 Å²	13	49.9 Å²	49.9	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-57.2	-47.3	178.2	172.3	0	0	0	0	110.7	I42 L43 L62 C465 E471 L472 Q473	I42-V469 HydrophobicContact CB-CG2 4.08Å; I42-V469 HydrophobicContact CD1-CG1 3.72Å; I42-V469 HydrophobicContact CD1-CG2 4.42Å; I42-V469 HydrophobicContact CG2-CG1 4.31Å; I42-V469 HydrophobicContact CG2-CG2 3.72Å; L43-V469 HydrophobicContact CD1-CG2 3.68Å; L43-V469 HydrophobicContact CG-CG2 4.37Å; L62-V469 HydrophobicContact CD2-CG1 4.15Å; C465-V469 WeakPolarHBondContact O-CG2 3.38Å; C465-V469 PolarHBondContact O-N 3.49Å; V469-E471 PolarHBondContact O-N 2.86Å; V469-L472 PolarHBondContact O-N 3.07Å; V469-Q473 VanDerWaalsContact O-CB 3.23Å; V469-Q473 WeakPolarHBondContact O-CB 3.33Å; V469-Q473 PolarHBondContact O-N 3.32Å
470	N	68.7	Low	65.3	Low	86 Å²	86	51 Å²	51	46%	0.46	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-41.9	180	-75.9	-28.5	0	0	0	112.8	Q466 A467 I468 K474	Q466-N470 VanDerWaalsContact O-CB 3.28Å; Q466-N470 WeakPolarHBondContact O-CB 3.32Å; Q466-N470 PolarHBondContact O-N 2.94Å; Q466-N470 PolarHBondContact O-ND2 3.31Å; A467-N470 PolarHBondContact O-N 3.33Å; I468-N470 VanDerWaalsContact C-N 3.32Å; I468-N470 PolarHBondContact O-N 3.41Å; N470-K474 WeakPolarHBondContact O-CB 3.26Å; N470-K474 PolarHBondContact O-N 2.97Å
471	E	71.3	Confident	64.7	Low	72 Å²	72	49.4 Å²	49.4	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-73.5	-37.9	178.3	-79.7	-65.3	149.8	0	0	112.4	I379 V383 A467 I468 V469 Q473 K474 E475	I379-E471 HydrophobicContact CG2-CB 3.76Å; V383-E471 HydrophobicContact CG2-CB 4.38Å; V383-E471 HydrophobicContact CG2-CG 4.29Å; A467-E471 PolarHBondContact O-N 3.01Å; I468-E471 PolarHBondContact O-N 3.49Å; V469-E471 PolarHBondContact O-N 2.86Å; E471-Q473 VanDerWaalsContact C-N 3.33Å; E471-Q473 PolarHBondContact O-N 3.45Å; E471-K474 PolarHBondContact O-N 3.05Å; E471-K474 IonicContact OE1-NZ 2.75Å; E471-K474 PolarHBondContact OE1-NZ 3.22Å; E471-K474 IonicContact OE2-NZ 3.92Å; E471-E475 PolarHBondContact O-N 3.11Å
472	L	68.1	Low	64.2	Low	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-58.3	-47.3	171.6	-72.9	169.2	0	0	0	111	I57 L62 M371 V376 I379 I468 V469 K474 E475 M476	I57-L472 HydrophobicContact CD1-CD1 4.12Å; I57-L472 HydrophobicContact CG2-CD1 4.26Å; L62-L472 HydrophobicContact CD1-CD1 4.23Å; L62-L472 HydrophobicContact CD2-CB 3.69Å; M371-L472 HydrophobicContact CE-CD2 3.98Å; M371-L472 HydrophobicContact SD-CD2 3.71Å; V376-L472 HydrophobicContact CB-CD2 4.45Å; V376-L472 HydrophobicContact CG1-CD2 4.35Å; V376-L472 HydrophobicContact CG2-CD2 4.24Å; I379-L472 HydrophobicContact CB-CD2 4.05Å; I379-L472 HydrophobicContact CD1-CD2 3.73Å; I379-L472 HydrophobicContact CG1-CD2 4.5Å; I379-L472 HydrophobicContact CG2-CD2 3.96Å; I379-L472 HydrophobicContact CG2-CG 3.94Å; I468-L472 HydrophobicContact CG2-CD1 3.7Å; I468-L472 HydrophobicContact CG2-CG 4.32Å; I468-L472 WeakPolarHBondContact O-CB 3.42Å; I468-L472 WeakPolarHBondContact O-CG 3.11Å; I468-L472 PolarHBondContact O-N 3.36Å; V469-L472 PolarHBondContact O-N 3.07Å; L472-K474 PolarHBondContact O-N 3.44Å; L472-E475 PolarHBondContact O-N 3.2Å; L472-M476 WeakPolarHBondContact O-CG 3.4Å; L472-M476 PolarHBondContact O-N 3.41Å
473	Q	64.9	Low	63.8	Low	39 Å²	39	45.8 Å²	45.8	18%	0.182	24%	0.238	C	C	.	.	H	α-helix	trans	-67.1	-37.2	-178.9	-159.8	168.6	40.2	0	0	113	L62 P254 V469 E471 E475 M476 S477	L62-Q473 HydrophobicContact CD2-CB 3.8Å; L62-Q473 HydrophobicContact CD2-CG 4.36Å; P254-Q473 VanDerWaalsContact CB-CD 3.5Å; P254-Q473 HydrophobicContact CB-CG 4.26Å; P254-Q473 HydrophobicContact CG-CG 3.58Å; V469-Q473 VanDerWaalsContact O-CB 3.23Å; V469-Q473 WeakPolarHBondContact O-CB 3.33Å; V469-Q473 PolarHBondContact O-N 3.32Å; E471-Q473 VanDerWaalsContact C-N 3.33Å; E471-Q473 PolarHBondContact O-N 3.45Å; Q473-E475 VanDerWaalsContact C-N 3.33Å; Q473-M476 PolarHBondContact O-N 2.62Å; Q473-S477 PolarHBondContact O-N 3.33Å; Q473-S477 VanDerWaalsContact O-N 3.09Å; Q473-S477 PolarHBondContact O-OG 3.37Å
474	K	64.1	Low	63.1	Low	112 Å²	112	43.6 Å²	43.6	49%	0.487	22%	0.222	S	C	.	.	H	α-helix	trans	-66.5	-34.6	175	-177.5	-178.5	171.9	-167.6	0	112.1	N470 E471 L472 S477	N470-K474 WeakPolarHBondContact O-CB 3.26Å; N470-K474 PolarHBondContact O-N 2.97Å; E471-K474 PolarHBondContact O-N 3.05Å; E471-K474 IonicContact OE1-NZ 2.75Å; E471-K474 PolarHBondContact OE1-NZ 3.22Å; E471-K474 IonicContact OE2-NZ 3.92Å; L472-K474 PolarHBondContact O-N 3.44Å; K474-S477 WeakPolarHBondContact CA-OG 3.49Å; K474-S477 PolarHBondContact O-OG 2.85Å
475	E	64.3	Low	62.5	Low	31 Å²	31	43.6 Å²	43.6	15%	0.145	22%	0.222	C	C	.	.	H	α-helix	trans	-67.8	-39.2	174.9	-161	64.7	-156.2	0	0	111.3	I379 E471 L472 Q473 R478 Y481	I379-E475 HydrophobicContact CD1-CB 4.09Å; I379-E475 HydrophobicContact CD1-CG 4.27Å; E471-E475 PolarHBondContact O-N 3.11Å; L472-E475 PolarHBondContact O-N 3.2Å; Q473-E475 VanDerWaalsContact C-N 3.33Å; E475-R478 VanDerWaalsContact CD-CZ 3.42Å; E475-R478 IonicContact OE1-CZ 3.53Å; E475-R478 IonicContact OE1-NE 2.74Å; E475-R478 IonicContact OE1-NH1 3.49Å; E475-R478 PolarHBondContact OE1-NH1 2.77Å; E475-R478 IonicContact OE1-NH2 3.17Å; E475-R478 PolarHBondContact OE1-NH2 2.96Å; E475-R478 IonicContact OE2-CZ 2.78Å; E475-R478 IonicContact OE2-NE 2.92Å; E475-R478 IonicContact OE2-NH1 2.64Å; E475-R478 PolarHBondContact OE2-NH1 2.61Å; E475-R478 IonicContact OE2-NH2 3.02Å; E475-R478 PolarHBondContact OE2-NH2 3.33Å; E475-Y481 PolarHBondContact OE1-OH 3.4Å
476	M	58.8	Low	61.6	Low	30 Å²	30	43.6 Å²	43.6	15%	0.148	22%	0.22	C	C	.	.	H	α-helix	trans	-71	-29.2	179.1	-70.2	179.1	55	0	0	114.5	L62 V370 M371 L472 Q473 R478	L62-M476 HydrophobicContact CB-SD 4.07Å; L62-M476 WeakPolarHBondContact O-CE 3.32Å; V370-M476 HydrophobicContact CG1-CE 3.15Å; V370-M476 HydrophobicContact CG1-SD 3.7Å; M371-M476 HydrophobicContact CE-CG 3.71Å; M371-M476 HydrophobicContact CE-SD 4.2Å; L472-M476 WeakPolarHBondContact O-CG 3.4Å; L472-M476 PolarHBondContact O-N 3.41Å; Q473-M476 PolarHBondContact O-N 2.62Å; M476-R478 VanDerWaalsContact C-N 3.32Å; M476-R478 PolarHBondContact O-N 3.24Å
477	S	57	Low	60.8	Low	54 Å²	54	38 Å²	38	38%	0.378	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	3.8	-175.2	51.6	0	0	0	0	114.9	Q473 K474	Q473-S477 PolarHBondContact O-N 3.33Å; Q473-S477 VanDerWaalsContact O-N 3.09Å; Q473-S477 PolarHBondContact O-OG 3.37Å; K474-S477 WeakPolarHBondContact CA-OG 3.49Å; K474-S477 PolarHBondContact O-OG 2.85Å
478	R	58.7	Low	59.6	Low	65 Å²	65	37.5 Å²	37.5	25%	0.245	19%	0.188	C	C	.	.			trans	-69	130.5	-175.6	-67.2	-169.2	-178.2	160.4	2.5	112.7	E475 M476 A480 Y481	E475-R478 VanDerWaalsContact CD-CZ 3.42Å; E475-R478 IonicContact OE1-CZ 3.53Å; E475-R478 IonicContact OE1-NE 2.74Å; E475-R478 IonicContact OE1-NH1 3.49Å; E475-R478 PolarHBondContact OE1-NH1 2.77Å; E475-R478 IonicContact OE1-NH2 3.17Å; E475-R478 PolarHBondContact OE1-NH2 2.96Å; E475-R478 IonicContact OE2-CZ 2.78Å; E475-R478 IonicContact OE2-NE 2.92Å; E475-R478 IonicContact OE2-NH1 2.64Å; E475-R478 PolarHBondContact OE2-NH1 2.61Å; E475-R478 IonicContact OE2-NH2 3.02Å; E475-R478 PolarHBondContact OE2-NH2 3.33Å; M476-R478 VanDerWaalsContact C-N 3.32Å; M476-R478 PolarHBondContact O-N 3.24Å; R478-A480 PolarHBondContact O-N 3.21Å; R478-Y481 HydrophobicContact CB-CD2 3.58Å; R478-Y481 HydrophobicContact CB-CE2 3.72Å; R478-Y481 HydrophobicContact CB-CG 4.47Å; R478-Y481 HydrophobicContact CG-CD2 4.39Å; R478-Y481 HydrophobicContact CG-CE2 4.1Å; R478-Y481 PolarHBondContact NH1-OH 2.77Å; R478-Y481 PolarHBondContact O-N 3.43Å
479	P	54.6	Low	58.5	Low	35 Å²	35	37.8 Å²	37.8	23%	0.227	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-58.4	-42.2	-172.8	-27.4	34.1	0	0	0	116.4	Y481 K482 L485	P479-Y481 VanDerWaalsContact C-N 3.26Å; P479-Y481 PolarHBondContact O-N 2.83Å; P479-K482 WeakPolarHBondContact O-CB 3.44Å; P479-K482 PolarHBondContact O-N 2.72Å; P479-K482 VanDerWaalsContact O-N 3.12Å; P479-L485 HydrophobicContact CB-CD1 4.34Å; P479-L485 HydrophobicContact CB-CD2 4.44Å
480	A	51.6	Low	57.3	Low	30 Å²	30	37.8 Å²	37.8	25%	0.248	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-78.1	-8.3	-173.2	0	0	0	0	0	114.6	N135 R478	N135-A480 VanDerWaalsContact CG-CB 3.46Å; N135-A480 WeakPolarHBondContact ND2-CB 3.31Å; N135-A480 WeakPolarHBondContact OD1-CB 3.47Å; N135-A480 PolarHBondContact OD1-N 2.89Å; R478-A480 PolarHBondContact O-N 3.21Å
481	Y	51.5	Low	56.5	Low	63 Å²	63	33.8 Å²	33.8	25%	0.247	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-78.1	-8.8	169.2	-57	-41.4	0	0	0	111.8	E475 R478 P479 K483 A514	E475-Y481 PolarHBondContact OE1-OH 3.4Å; R478-Y481 HydrophobicContact CB-CD2 3.58Å; R478-Y481 HydrophobicContact CB-CE2 3.72Å; R478-Y481 HydrophobicContact CB-CG 4.47Å; R478-Y481 HydrophobicContact CG-CD2 4.39Å; R478-Y481 HydrophobicContact CG-CE2 4.1Å; R478-Y481 PolarHBondContact NH1-OH 2.77Å; R478-Y481 PolarHBondContact O-N 3.43Å; P479-Y481 VanDerWaalsContact C-N 3.26Å; P479-Y481 PolarHBondContact O-N 2.83Å; Y481-K483 PolarHBondContact O-N 3.11Å; Y481-A514 HydrophobicContact CD1-CB 4.2Å; Y481-A514 HydrophobicContact CE1-CB 3.76Å
482	K	56.7	Low	55.3	Low	26 Å²	26	33.6 Å²	33.6	11%	0.113	17%	0.171	C	C	.	.			trans	-80.6	104.7	169.1	-55.7	-154	174.4	-171.9	0	109.8	P479 D484 L485 T511	P479-K482 WeakPolarHBondContact O-CB 3.44Å; P479-K482 PolarHBondContact O-N 2.72Å; P479-K482 VanDerWaalsContact O-N 3.12Å; K482-D484 WeakPolarHBondContact CB-OD1 3.29Å; K482-D484 PolarHBondContact O-N 3.26Å; K482-D484 VanDerWaalsContact O-N 3.16Å; K482-L485 HydrophobicContact CB-CB 4.48Å; K482-L485 WeakPolarHBondContact O-CB 3.37Å; K482-L485 PolarHBondContact O-N 3Å; K482-T511 HydrophobicContact CB-CG2 4.37Å; K482-T511 HydrophobicContact CD-CG2 3.85Å; K482-T511 HydrophobicContact CG-CG2 3.64Å
483	K	56.8	Low	54.2	Low	60 Å²	60	39 Å²	39	26%	0.261	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.6	-179.7	-68.3	178.1	172.9	178.2	0	113	Y481 V510 M512 D661 T664	Y481-K483 PolarHBondContact O-N 3.11Å; K483-V510 HydrophobicContact CB-CG1 4.14Å; K483-V510 PolarHBondContact N-O 3.34Å; K483-M512 PolarHBondContact NZ-SD 3.33Å; K483-D661 VanDerWaalsContact CD-OD1 3.25Å; K483-D661 WeakPolarHBondContact CD-OD1 3.25Å; K483-D661 IonicContact NZ-OD1 3.85Å; K483-D661 PolarHBondContact NZ-OD1 3.22Å; K483-T664 PolarHBondContact O-OG1 3.38Å
484	D	55.7	Low	53.8	Low	14 Å²	14	38.5 Å²	38.5	8%	0.075	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-6	179.8	69.7	-14.2	0	0	0	113.7	R197 K482 F486 L487 L491 V510 L660	R197-D484 PolarHBondContact NH1-O 2.8Å; R197-D484 VanDerWaalsContact NH1-O 3.13Å; R197-D484 IonicContact NH1-OD1 2.64Å; R197-D484 IonicContact NH1-OD2 3.42Å; R197-D484 PolarHBondContact NH1-OD2 3.06Å; R197-D484 PolarHBondContact NH2-O 3.34Å; K482-D484 WeakPolarHBondContact CB-OD1 3.29Å; K482-D484 PolarHBondContact O-N 3.26Å; K482-D484 VanDerWaalsContact O-N 3.16Å; D484-F486 PolarHBondContact O-N 3.48Å; D484-L487 HydrophobicContact CB-CB 4.41Å; D484-L487 WeakPolarHBondContact O-CB 3.33Å; D484-L487 PolarHBondContact O-N 3.36Å; D484-L491 HydrophobicContact CB-CD2 4.47Å; D484-V510 HydrophobicContact CB-CG1 3.48Å; D484-V510 VanDerWaalsContact CB-CG1 3.48Å; D484-V510 VanDerWaalsContact CG-CG1 3.41Å; D484-L660 HydrophobicContact CB-CD1 4.04Å; D484-L660 HydrophobicContact CB-CD2 4.01Å; D484-L660 HydrophobicContact CB-CG 4.29Å
485	L	58.2	Low	53.2	Low	6 Å²	6	39.6 Å²	39.6	3%	0.031	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-32.1	-168.5	-170.2	76.6	0	0	0	115.3	T187 T190 R197 P479 K482	T187-L485 HydrophobicContact CG2-CD2 4.02Å; T187-L485 HydrophobicContact CG2-CG 4.01Å; T190-L485 WeakPolarHBondContact CG2-O 3.21Å; T190-L485 VanDerWaalsContact OG1-CD1 3.31Å; T190-L485 WeakPolarHBondContact OG1-CD1 3.3Å; T190-L485 PolarHBondContact OG1-O 2.89Å; R197-L485 PolarHBondContact NH2-O 3.49Å; P479-L485 HydrophobicContact CB-CD1 4.34Å; P479-L485 HydrophobicContact CB-CD2 4.44Å; K482-L485 HydrophobicContact CB-CB 4.48Å; K482-L485 WeakPolarHBondContact O-CB 3.37Å; K482-L485 PolarHBondContact O-N 3Å
486	F	52.5	Low	52.5	Low	21 Å²	21	42.4 Å²	42.4	9%	0.092	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-3.6	179.6	-63.9	-81.1	0	0	0	115.3	L183 T187 D484 S488 L663 T664 F667	L183-F486 HydrophobicContact CD1-CE1 3.82Å; T187-F486 HydrophobicContact CG2-CD1 4.11Å; T187-F486 HydrophobicContact CG2-CE1 3.79Å; T187-F486 HydrophobicContact CG2-CZ 4.34Å; D484-F486 PolarHBondContact O-N 3.48Å; F486-S488 PolarHBondContact O-N 3.21Å; F486-L663 HydrophobicContact CB-CD2 4.24Å; F486-L663 HydrophobicContact CB-CG 4.28Å; F486-T664 HydrophobicContact CD2-CG2 3.58Å; F486-T664 VanDerWaalsContact CD2-OG1 3.31Å; F486-T664 WeakPolarHBondContact CD2-OG1 3.32Å; F486-T664 HydrophobicContact CE2-CG2 3.36Å; F486-T664 HydrophobicContact CZ-CG2 4.5Å; F486-F667 HydrophobicContact CB-CB 4.5Å; F486-F667 HydrophobicContact CB-CD1 4Å; F486-F667 HydrophobicContact CB-CG 4.42Å; F486-F667 AromaticContact CD1-CD1 3.44Å; F486-F667 HydrophobicContact CD1-CD1 3.44Å; F486-F667 VanDerWaalsContact CD1-CD1 3.44Å; F486-F667 AromaticContact CD1-CE1 3.73Å; F486-F667 HydrophobicContact CD1-CE1 3.73Å; F486-F667 HydrophobicContact CE1-CD1 4.18Å; F486-F667 HydrophobicContact CE1-CE1 4.42Å; F486-F667 AromaticContact CG-CD1 3.9Å; F486-F667 HydrophobicContact CG-CD1 3.9Å
487	L	51.1	Low	52	Low	7 Å²	7	41.8 Å²	41.8	4%	0.037	22%	0.215	C	C	.	.			trans	-64.9	129.2	176	174.4	66.9	0	0	0	109.6	R197 D484 L491 V655 L660 L663	R197-L487 PolarHBondContact NE-O 3.32Å; R197-L487 PolarHBondContact NH2-O 2.85Å; D484-L487 HydrophobicContact CB-CB 4.41Å; D484-L487 WeakPolarHBondContact O-CB 3.33Å; D484-L487 PolarHBondContact O-N 3.36Å; L487-L491 HydrophobicContact CD2-CD1 4.41Å; L487-L491 HydrophobicContact CD2-CD2 4.26Å; L487-L491 HydrophobicContact CD2-CG 3.83Å; L487-V655 HydrophobicContact CD1-CB 4.28Å; L487-V655 HydrophobicContact CD1-CG1 4.21Å; L487-V655 HydrophobicContact CD1-CG2 3.68Å; L487-L660 HydrophobicContact CB-CD1 4.05Å; L487-L660 HydrophobicContact CD1-CD1 4.38Å; L487-L660 HydrophobicContact CD2-CD1 3.8Å; L487-L660 HydrophobicContact CG-CD1 4.28Å; L487-L663 HydrophobicContact CB-CD2 3.62Å; L487-L663 HydrophobicContact CD1-CD2 4.47Å
488	S	45.9	Very low	51.6	Low	21 Å²	21	44.2 Å²	44.2	15%	0.147	22%	0.224	C	C	.	.			trans	-104.9	2	172.6	-45.6	0	0	0	0	112.1	A198 F486 T651	A198-S488 WeakPolarHBondContact CA-O 3.29Å; A198-S488 WeakPolarHBondContact CB-O 3.23Å; F486-S488 PolarHBondContact O-N 3.21Å; S488-T651 VanDerWaalsContact CB-OG1 3.28Å; S488-T651 WeakPolarHBondContact CB-OG1 3.42Å; S488-T651 PolarHBondContact OG-OG1 3.12Å; S488-T651 VanDerWaalsContact OG-OG1 3.07Å
489	G	46.9	Very low	51.1	Low	7 Å²	7	45.4 Å²	45.4	7%	0.072	24%	0.242	C	C	.	.	S	Bend	trans	-90.8	168.4	178.3	0	0	0	0	0	113.1
490	S	45.3	Very low	50.8	Low	14 Å²	14	46.1 Å²	46.1	10%	0.098	25%	0.246	C	C	.	.			trans	-73.7	132.3	165.8	-179.2	0	0	0	0	108.4	R195 I492 H493	R195-S490 PolarHBondContact O-OG 3.27Å; S490-I492 PolarHBondContact O-N 3.26Å; S490-I492 WeakPolarHBondContact OG-CB 3.39Å; S490-I492 WeakPolarHBondContact OG-CG1 3.43Å; S490-I492 PolarHBondContact OG-N 2.95Å; S490-H493 PolarHBondContact O-N 2.91Å; S490-H493 VanDerWaalsContact O-N 3.12Å
491	L	52.6	Low	51	Low	1 Å²	1	51.3 Å²	51.3	1%	0.005	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-61.4	-24.1	175	-73.2	113.1	0	0	0	111.7	V194 D484 L487 H493 L494 F497 Y506	V194-L491 HydrophobicContact CB-CD1 4.46Å; V194-L491 HydrophobicContact CG1-CD1 3.86Å; D484-L491 HydrophobicContact CB-CD2 4.47Å; L487-L491 HydrophobicContact CD2-CD1 4.41Å; L487-L491 HydrophobicContact CD2-CD2 4.26Å; L487-L491 HydrophobicContact CD2-CG 3.83Å; L491-H493 PolarHBondContact O-N 3Å; L491-H493 VanDerWaalsContact O-N 3.12Å; L491-L494 WeakPolarHBondContact O-CB 3.16Å; L491-L494 PolarHBondContact O-N 3.48Å; L491-F497 HydrophobicContact CB-CD2 3.84Å; L491-F497 HydrophobicContact CB-CE2 4.12Å; L491-F497 HydrophobicContact CB-CG 4.29Å; L491-F497 WeakPolarHBondContact O-CB 3.37Å; L491-F497 VanDerWaalsContact O-CG 3.26Å; L491-F497 WeakPolarHBondContact O-CG 3.45Å; L491-Y506 HydrophobicContact CD2-CD1 4.29Å; L491-Y506 HydrophobicContact CD2-CE1 3.34Å
492	I	46.1	Very low	51.2	Low	68 Å²	68	51.5 Å²	51.5	35%	0.349	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-61	-22.6	177.2	-52.2	169.5	0	0	0	112.2	R195 S490 F497 L498	R195-I492 HydrophobicContact CB-CD1 4.28Å; R195-I492 HydrophobicContact CG-CD1 4.37Å; S490-I492 PolarHBondContact O-N 3.26Å; S490-I492 WeakPolarHBondContact OG-CB 3.39Å; S490-I492 WeakPolarHBondContact OG-CG1 3.43Å; S490-I492 PolarHBondContact OG-N 2.95Å; I492-F497 HydrophobicContact CB-CD1 4.44Å; I492-F497 HydrophobicContact CB-CE1 4.34Å; I492-F497 HydrophobicContact CG1-CD1 4.42Å; I492-F497 HydrophobicContact CG1-CE1 3.86Å; I492-F497 HydrophobicContact CG1-CZ 4.4Å; I492-L498 HydrophobicContact CG2-CD2 4.18Å; I492-L498 WeakPolarHBondContact O-CD1 3.18Å; I492-L498 WeakPolarHBondContact O-CD2 3.32Å; I492-L498 WeakPolarHBondContact O-CG 3.42Å
493	H	46	Very low	51.1	Low	115 Å²	115	52.3 Å²	52.3	53%	0.532	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-89.1	-4.9	177.2	-65.4	-57.4	0	0	0	113.9	S490 L491 N495	S490-H493 PolarHBondContact O-N 2.91Å; S490-H493 VanDerWaalsContact O-N 3.12Å; L491-H493 PolarHBondContact O-N 3Å; L491-H493 VanDerWaalsContact O-N 3.12Å; H493-N495 PolarHBondContact O-N 3.41Å
494	L	55.4	Low	51.1	Low	29 Å²	29	50.8 Å²	50.8	15%	0.152	29%	0.286	C	S	.	.	S	Bend	trans	-78.9	123.4	174.8	-141.5	78.2	0	0	0	108.6	L491 E496 F497 L498 Y506 V655 L660	L491-L494 WeakPolarHBondContact O-CB 3.16Å; L491-L494 PolarHBondContact O-N 3.48Å; L494-E496 HydrophobicContact CD2-CB 4.15Å; L494-E496 PolarHBondContact O-N 2.9Å; L494-F497 HydrophobicContact CB-CB 4.13Å; L494-F497 WeakPolarHBondContact O-CB 3.19Å; L494-F497 PolarHBondContact O-N 2.71Å; L494-L498 PolarHBondContact O-N 2.98Å; L494-Y506 WeakPolarHBondContact CD2-OH 3.4Å; L494-V655 HydrophobicContact CD1-CG1 3.39Å; L494-L660 HydrophobicContact CD2-CB 3.9Å; L494-L660 HydrophobicContact CD2-CD2 3.8Å; L494-L660 HydrophobicContact CD2-CG 4.33Å
495	N	51	Low	51	Low	135 Å²	135	51.5 Å²	51.5	72%	0.722	29%	0.291	S	S	*	.	H	α-helix	trans	-52.5	-33.2	176.6	-86.2	2.7	0	0	0	112.1	H493 L498 S499	H493-N495 PolarHBondContact O-N 3.41Å; N495-L498 PolarHBondContact O-N 3.46Å; N495-S499 WeakPolarHBondContact O-CB 3.46Å; N495-S499 PolarHBondContact O-N 3.18Å; N495-S499 PolarHBondContact O-OG 3.05Å; N495-S499 VanDerWaalsContact O-OG 3.08Å
496	E	50.9	Low	51	Low	89 Å²	89	51.2 Å²	51.2	42%	0.416	29%	0.29	S	S	.	.	H	α-helix	trans	-68.3	-35.2	178.1	-162	172.9	-167.8	0	0	113	L494 S499 T500 Y506	L494-E496 HydrophobicContact CD2-CB 4.15Å; L494-E496 PolarHBondContact O-N 2.9Å; E496-S499 WeakPolarHBondContact CA-OG 3.48Å; E496-S499 PolarHBondContact O-OG 3.47Å; E496-T500 PolarHBondContact O-N 2.9Å; E496-T500 PolarHBondContact O-OG1 3.24Å; E496-Y506 HydrophobicContact CB-CE2 4.06Å; E496-Y506 HydrophobicContact CG-CE2 3.99Å
497	F	47.7	Very low	51.1	Low	17 Å²	17	51.3 Å²	51.3	8%	0.075	29%	0.291	C	S	.	.	H	α-helix	trans	-71.4	-43.2	172.1	-175.3	-87.2	0	0	0	110.9	L491 I492 L494 S499 T500 V503 Y506	L491-F497 HydrophobicContact CB-CD2 3.84Å; L491-F497 HydrophobicContact CB-CE2 4.12Å; L491-F497 HydrophobicContact CB-CG 4.29Å; L491-F497 WeakPolarHBondContact O-CB 3.37Å; L491-F497 VanDerWaalsContact O-CG 3.26Å; L491-F497 WeakPolarHBondContact O-CG 3.45Å; I492-F497 HydrophobicContact CB-CD1 4.44Å; I492-F497 HydrophobicContact CB-CE1 4.34Å; I492-F497 HydrophobicContact CG1-CD1 4.42Å; I492-F497 HydrophobicContact CG1-CE1 3.86Å; I492-F497 HydrophobicContact CG1-CZ 4.4Å; L494-F497 HydrophobicContact CB-CB 4.13Å; L494-F497 WeakPolarHBondContact O-CB 3.19Å; L494-F497 PolarHBondContact O-N 2.71Å; F497-S499 VanDerWaalsContact C-N 3.3Å; F497-S499 PolarHBondContact O-N 3.48Å; F497-T500 PolarHBondContact O-N 3.22Å; F497-T500 VanDerWaalsContact O-N 3.11Å; F497-V503 HydrophobicContact CE1-CG2 4.22Å; F497-V503 HydrophobicContact CE2-CB 4.4Å; F497-V503 HydrophobicContact CE2-CG1 3.81Å; F497-V503 HydrophobicContact CE2-CG2 4.24Å; F497-V503 HydrophobicContact CZ-CB 4.17Å; F497-V503 HydrophobicContact CZ-CG1 3.74Å; F497-V503 HydrophobicContact CZ-CG2 3.58Å; F497-Y506 HydrophobicContact CB-CD2 4.17Å; F497-Y506 HydrophobicContact CB-CE1 4.49Å; F497-Y506 HydrophobicContact CB-CE2 3.98Å; F497-Y506 HydrophobicContact CB-CG 4.45Å; F497-Y506 AromaticContact CD2-CD1 3.42Å; F497-Y506 HydrophobicContact CD2-CD1 3.42Å; F497-Y506 VanDerWaalsContact CD2-CD1 3.42Å; F497-Y506 HydrophobicContact CD2-CD2 4.25Å; F497-Y506 AromaticContact CD2-CE1 3.78Å; F497-Y506 HydrophobicContact CD2-CE1 3.78Å; F497-Y506 HydrophobicContact CD2-CE2 4.49Å; F497-Y506 AromaticContact CD2-CG 3.69Å; F497-Y506 HydrophobicContact CD2-CG 3.69Å; F497-Y506 HydrophobicContact CE2-CD1 4.04Å; F497-Y506 HydrophobicContact CE2-CG 4.43Å; F497-Y506 HydrophobicContact CG-CD1 4.46Å; F497-Y506 HydrophobicContact CG-CG 4.47Å
498	L	48.1	Very low	51.2	Low	106 Å²	106	53.1 Å²	53.1	56%	0.555	30%	0.297	S	S	*	.	H	α-helix	trans	-65.8	-31.7	178.3	-68.8	173.4	0	0	0	112.8	I492 L494 N495 T500	I492-L498 HydrophobicContact CG2-CD2 4.18Å; I492-L498 WeakPolarHBondContact O-CD1 3.18Å; I492-L498 WeakPolarHBondContact O-CD2 3.32Å; I492-L498 WeakPolarHBondContact O-CG 3.42Å; L494-L498 PolarHBondContact O-N 2.98Å; N495-L498 PolarHBondContact O-N 3.46Å; L498-T500 PolarHBondContact O-N 3.38Å
499	S	49.4	Very low	51.5	Low	90 Å²	90	53.9 Å²	53.9	63%	0.629	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-11.5	174.9	57.9	0	0	0	0	113.3	N495 E496 F497	N495-S499 WeakPolarHBondContact O-CB 3.46Å; N495-S499 PolarHBondContact O-N 3.18Å; N495-S499 PolarHBondContact O-OG 3.05Å; N495-S499 VanDerWaalsContact O-OG 3.08Å; E496-S499 WeakPolarHBondContact CA-OG 3.48Å; E496-S499 PolarHBondContact O-OG 3.47Å; F497-S499 VanDerWaalsContact C-N 3.3Å; F497-S499 PolarHBondContact O-N 3.48Å
500	T	48.5	Very low	51.6	Low	49 Å²	49	53.9 Å²	53.9	30%	0.301	30%	0.301	S	S	.	.			trans	-96.8	124.2	-179	-51.4	0	0	0	0	110.1	E496 F497 L498 D502	E496-T500 PolarHBondContact O-N 2.9Å; E496-T500 PolarHBondContact O-OG1 3.24Å; F497-T500 PolarHBondContact O-N 3.22Å; F497-T500 VanDerWaalsContact O-N 3.11Å; L498-T500 PolarHBondContact O-N 3.38Å; T500-D502 VanDerWaalsContact C-N 3.34Å; T500-D502 VanDerWaalsContact CG2-O 3.3Å; T500-D502 WeakPolarHBondContact CG2-O 3.45Å
501	T	54	Low	51.9	Low	139 Å²	139	54.3 Å²	54.3	85%	0.853	30%	0.303	S	S	*	.	S	Bend	trans	-70.8	-30.4	179.5	-41.4	0	0	0	0	112.5
502	D	57.5	Low	51.4	Low	68 Å²	68	58.6 Å²	58.6	36%	0.364	32%	0.324	S	S	.	.			trans	-112.9	113.4	-179.5	174.9	25.9	0	0	0	112.2	T500 A504 S505 Y506 R508	T500-D502 VanDerWaalsContact C-N 3.34Å; T500-D502 VanDerWaalsContact CG2-O 3.3Å; T500-D502 WeakPolarHBondContact CG2-O 3.45Å; D502-A504 VanDerWaalsContact C-N 3.26Å; D502-A504 PolarHBondContact O-N 2.88Å; D502-A504 WeakPolarHBondContact OD1-CB 3.43Å; D502-A504 PolarHBondContact OD1-N 3.43Å; D502-S505 WeakPolarHBondContact O-CB 3.33Å; D502-S505 PolarHBondContact O-N 3.01Å; D502-S505 VanDerWaalsContact OD2-CB 3.28Å; D502-S505 WeakPolarHBondContact OD2-CB 3.4Å; D502-S505 PolarHBondContact OD2-N 2.95Å; D502-S505 PolarHBondContact OD2-OG 3.32Å; D502-Y506 PolarHBondContact O-N 3.48Å; D502-Y506 VanDerWaalsContact O-N 3.08Å; D502-R508 IonicContact OD2-NH2 3.26Å
503	V	54.5	Low	51.2	Low	43 Å²	43	57.7 Å²	57.7	26%	0.261	32%	0.323	S	S	.	.	H	α-helix	trans	-59	-36.9	176.4	175.9	0	0	0	0	111.7	F497 Y506 I507	F497-V503 HydrophobicContact CE1-CG2 4.22Å; F497-V503 HydrophobicContact CE2-CB 4.4Å; F497-V503 HydrophobicContact CE2-CG1 3.81Å; F497-V503 HydrophobicContact CE2-CG2 4.24Å; F497-V503 HydrophobicContact CZ-CB 4.17Å; F497-V503 HydrophobicContact CZ-CG1 3.74Å; F497-V503 HydrophobicContact CZ-CG2 3.58Å; V503-Y506 PolarHBondContact O-N 3.27Å; V503-I507 HydrophobicContact CG1-CD1 3.83Å; V503-I507 HydrophobicContact CG1-CG1 4.39Å; V503-I507 VanDerWaalsContact O-CG1 3.29Å; V503-I507 WeakPolarHBondContact O-CG1 3.21Å; V503-I507 PolarHBondContact O-N 3.34Å
504	A	55.7	Low	50.9	Low	28 Å²	28	54.3 Å²	54.3	23%	0.231	32%	0.315	C	S	.	.	H	α-helix	trans	-67.7	-39.4	179	0	0	0	0	0	111	L66 D502 I507 R508	L66-A504 HydrophobicContact CD2-CB 4.39Å; D502-A504 VanDerWaalsContact C-N 3.26Å; D502-A504 PolarHBondContact O-N 2.88Å; D502-A504 WeakPolarHBondContact OD1-CB 3.43Å; D502-A504 PolarHBondContact OD1-N 3.43Å; A504-I507 PolarHBondContact O-N 3.13Å; A504-R508 WeakPolarHBondContact O-CB 3.49Å; A504-R508 VanDerWaalsContact O-CG 3.3Å; A504-R508 WeakPolarHBondContact O-CG 3.39Å; A504-R508 PolarHBondContact O-N 3.11Å; A504-R508 PolarHBondContact O-NE 3.49Å
505	S	55	Low	50.1	Low	28 Å²	28	60.3 Å²	60.3	20%	0.196	34%	0.342	C	S	.	.	H	α-helix	trans	-62	-42.6	172.5	-66.8	0	0	0	0	112.9	D502 R508 S509	D502-S505 WeakPolarHBondContact O-CB 3.33Å; D502-S505 PolarHBondContact O-N 3.01Å; D502-S505 VanDerWaalsContact OD2-CB 3.28Å; D502-S505 WeakPolarHBondContact OD2-CB 3.4Å; D502-S505 PolarHBondContact OD2-N 2.95Å; D502-S505 PolarHBondContact OD2-OG 3.32Å; S505-R508 WeakPolarHBondContact O-CB 3.37Å; S505-R508 PolarHBondContact O-N 3.25Å; S505-R508 PolarHBondContact OG-NH2 3.36Å; S505-S509 PolarHBondContact O-N 3.49Å
506	Y	57.5	Low	49.6	Very low	1 Å²	1	55.6 Å²	55.6	0%	0.004	32%	0.316	C	S	.	.	H	α-helix	trans	-65.5	-46	175.8	177.2	-81	0	0	0	112.1	L491 L494 E496 F497 D502 V503 R508 S509 V510 L660	L491-Y506 HydrophobicContact CD2-CD1 4.29Å; L491-Y506 HydrophobicContact CD2-CE1 3.34Å; L494-Y506 WeakPolarHBondContact CD2-OH 3.4Å; E496-Y506 HydrophobicContact CB-CE2 4.06Å; E496-Y506 HydrophobicContact CG-CE2 3.99Å; F497-Y506 HydrophobicContact CB-CD2 4.17Å; F497-Y506 HydrophobicContact CB-CE1 4.49Å; F497-Y506 HydrophobicContact CB-CE2 3.98Å; F497-Y506 HydrophobicContact CB-CG 4.45Å; F497-Y506 AromaticContact CD2-CD1 3.42Å; F497-Y506 HydrophobicContact CD2-CD1 3.42Å; F497-Y506 VanDerWaalsContact CD2-CD1 3.42Å; F497-Y506 HydrophobicContact CD2-CD2 4.25Å; F497-Y506 AromaticContact CD2-CE1 3.78Å; F497-Y506 HydrophobicContact CD2-CE1 3.78Å; F497-Y506 HydrophobicContact CD2-CE2 4.49Å; F497-Y506 AromaticContact CD2-CG 3.69Å; F497-Y506 HydrophobicContact CD2-CG 3.69Å; F497-Y506 HydrophobicContact CE2-CD1 4.04Å; F497-Y506 HydrophobicContact CE2-CG 4.43Å; F497-Y506 HydrophobicContact CG-CD1 4.46Å; F497-Y506 HydrophobicContact CG-CG 4.47Å; D502-Y506 PolarHBondContact O-N 3.48Å; D502-Y506 VanDerWaalsContact O-N 3.08Å; V503-Y506 PolarHBondContact O-N 3.27Å; Y506-R508 PolarHBondContact O-N 3.37Å; Y506-S509 PolarHBondContact O-N 3.47Å; Y506-S509 VanDerWaalsContact O-N 3.1Å; Y506-S509 PolarHBondContact O-OG 2.88Å; Y506-V510 HydrophobicContact CD1-CG2 4.01Å; Y506-V510 HydrophobicContact CE1-CB 4.41Å; Y506-V510 HydrophobicContact CE1-CG2 3.35Å; Y506-V510 HydrophobicContact CE2-CG2 4.2Å; Y506-V510 WeakPolarHBondContact O-CG2 3.45Å; Y506-V510 PolarHBondContact O-N 3.4Å; Y506-L660 WeakPolarHBondContact OH-CD2 2.94Å
507	I	53.7	Low	49	Very low	22 Å²	22	57 Å²	57	11%	0.113	33%	0.33	C	S	.	.	H	α-helix	trans	-57.5	-39.6	177.8	-68.8	166.8	0	0	0	109.4	L66 V194 V503 A504 V510 T511	L66-I507 HydrophobicContact CD2-CD1 4.01Å; V194-I507 HydrophobicContact CG1-CD1 4.04Å; V194-I507 HydrophobicContact CG1-CG1 4.38Å; V194-I507 HydrophobicContact CG2-CD1 4.07Å; V503-I507 HydrophobicContact CG1-CD1 3.83Å; V503-I507 HydrophobicContact CG1-CG1 4.39Å; V503-I507 VanDerWaalsContact O-CG1 3.29Å; V503-I507 WeakPolarHBondContact O-CG1 3.21Å; V503-I507 PolarHBondContact O-N 3.34Å; A504-I507 PolarHBondContact O-N 3.13Å; I507-V510 PolarHBondContact O-N 3.15Å; I507-T511 WeakPolarHBondContact O-CG2 3.5Å; I507-T511 PolarHBondContact O-N 3.23Å; I507-T511 PolarHBondContact O-OG1 3.15Å; I507-T511 VanDerWaalsContact O-OG1 3.13Å
508	R	54.2	Low	48.7	Very low	46 Å²	46	58.7 Å²	58.7	17%	0.174	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-45.1	174.3	-77.7	-177.7	-72.1	171.3	-5.7	113.3	D502 A504 S505 Y506 V510 T511	D502-R508 IonicContact OD2-NH2 3.26Å; A504-R508 WeakPolarHBondContact O-CB 3.49Å; A504-R508 VanDerWaalsContact O-CG 3.3Å; A504-R508 WeakPolarHBondContact O-CG 3.39Å; A504-R508 PolarHBondContact O-N 3.11Å; A504-R508 PolarHBondContact O-NE 3.49Å; S505-R508 WeakPolarHBondContact O-CB 3.37Å; S505-R508 PolarHBondContact O-N 3.25Å; S505-R508 PolarHBondContact OG-NH2 3.36Å; Y506-R508 PolarHBondContact O-N 3.37Å; R508-V510 PolarHBondContact O-N 2.95Å; R508-T511 WeakPolarHBondContact CA-OG1 3.35Å; R508-T511 CarbonylContact O-C 3.52Å; R508-T511 VanDerWaalsContact O-C 3.23Å; R508-T511 PolarHBondContact O-N 3.46Å; R508-T511 PolarHBondContact O-OG1 2.92Å; R508-T511 VanDerWaalsContact O-OG1 3.11Å
509	S	52.4	Low	48.6	Very low	36 Å²	36	57.5 Å²	57.5	25%	0.252	33%	0.331	S	S	.	.	H	α-helix	trans	-66.2	-25.6	178.4	72.2	0	0	0	0	112.9	S505 Y506 M512	S505-S509 PolarHBondContact O-N 3.49Å; Y506-S509 PolarHBondContact O-N 3.47Å; Y506-S509 VanDerWaalsContact O-N 3.1Å; Y506-S509 PolarHBondContact O-OG 2.88Å; S509-M512 WeakPolarHBondContact O-CG 3.46Å
510	V	48.9	Very low	48.5	Very low	8 Å²	8	65.1 Å²	65.1	5%	0.048	35%	0.346	C	S	.	.	H	α-helix	trans	-82.9	-29.8	174	173.7	0	0	0	0	112.1	K483 D484 Y506 I507 R508 M512 L660	K483-V510 HydrophobicContact CB-CG1 4.14Å; K483-V510 PolarHBondContact N-O 3.34Å; D484-V510 HydrophobicContact CB-CG1 3.48Å; D484-V510 VanDerWaalsContact CB-CG1 3.48Å; D484-V510 VanDerWaalsContact CG-CG1 3.41Å; Y506-V510 HydrophobicContact CD1-CG2 4.01Å; Y506-V510 HydrophobicContact CE1-CB 4.41Å; Y506-V510 HydrophobicContact CE1-CG2 3.35Å; Y506-V510 HydrophobicContact CE2-CG2 4.2Å; Y506-V510 WeakPolarHBondContact O-CG2 3.45Å; Y506-V510 PolarHBondContact O-N 3.4Å; I507-V510 PolarHBondContact O-N 3.15Å; R508-V510 PolarHBondContact O-N 2.95Å; V510-M512 VanDerWaalsContact C-N 3.26Å; V510-M512 PolarHBondContact O-N 3.35Å; V510-L660 HydrophobicContact CG1-CD2 4.28Å; V510-L660 HydrophobicContact CG2-CD2 3.91Å
511	T	50.4	Low	48.7	Very low	22 Å²	22	71.1 Å²	71.1	14%	0.135	36%	0.363	C	S	.	.	S	Bend	trans	-87.1	57.6	168.6	63	0	0	0	0	110.9	K482 I507 R508	K482-T511 HydrophobicContact CB-CG2 4.37Å; K482-T511 HydrophobicContact CD-CG2 3.85Å; K482-T511 HydrophobicContact CG-CG2 3.64Å; I507-T511 WeakPolarHBondContact O-CG2 3.5Å; I507-T511 PolarHBondContact O-N 3.23Å; I507-T511 PolarHBondContact O-OG1 3.15Å; I507-T511 VanDerWaalsContact O-OG1 3.13Å; R508-T511 WeakPolarHBondContact CA-OG1 3.35Å; R508-T511 CarbonylContact O-C 3.52Å; R508-T511 VanDerWaalsContact O-C 3.23Å; R508-T511 PolarHBondContact O-N 3.46Å; R508-T511 PolarHBondContact O-OG1 2.92Å; R508-T511 VanDerWaalsContact O-OG1 3.11Å
512	M	42.7	Very low	48.6	Very low	91 Å²	91	67.6 Å²	67.6	45%	0.448	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-67.8	139.1	176.4	-62.7	-167.6	70.8	0	0	110.8	K483 S509 V510	K483-M512 PolarHBondContact NZ-SD 3.33Å; S509-M512 WeakPolarHBondContact O-CG 3.46Å; V510-M512 VanDerWaalsContact C-N 3.26Å; V510-M512 PolarHBondContact O-N 3.35Å
513	P	41.4	Very low	48.4	Very low	49 Å²	49	68 Å²	68	32%	0.318	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-61.6	147.2	166.5	-17.9	32	0	0	0	110.7	V370	V370-P513 VanDerWaalsContact C-CG 3.45Å; V370-P513 WeakPolarHBondContact O-CG 3.29Å
514	A	40	Very low	48.5	Very low	44 Å²	44	74.1 Å²	74.1	36%	0.364	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-62.1	141.6	175.6	0	0	0	0	0	112.3	Y481	Y481-A514 HydrophobicContact CD1-CB 4.2Å; Y481-A514 HydrophobicContact CE1-CB 3.76Å
515	E	39.6	Very low	48.3	Very low	156 Å²	156	73.2 Å²	73.2	73%	0.729	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-61.7	130.6	163.1	-155.4	170.1	-171.3	0	0	109.9	V517	E515-V517 VanDerWaalsContact C-N 3.29Å; E515-V517 PolarHBondContact O-N 3.01Å
516	E	39	Very low	48.1	Very low	35 Å²	35	73.2 Å²	73.2	16%	0.164	35%	0.352	C	S	.	.	S	Bend	trans	-67	5.4	-154.4	-92.6	170.3	157.9	0	0	119.1	S372 E374 A375 H518	S372-E516 WeakPolarHBondContact CB-OE1 3.24Å; S372-E516 PolarHBondContact OG-OE1 3.3Å; E374-E516 WeakPolarHBondContact CA-OE1 3.46Å; E374-E516 WeakPolarHBondContact CB-OE1 3.46Å; E374-E516 VanDerWaalsContact CD-OE2 3.29Å; E374-E516 WeakPolarHBondContact CG-OE1 3.28Å; E374-E516 WeakPolarHBondContact CG-OE2 3.22Å; E374-E516 PolarHBondContact N-OE1 3.22Å; A375-E516 PolarHBondContact N-OE1 3.36Å; E516-H518 PolarHBondContact O-N 3.07Å
517	V	39.8	Very low	48.1	Very low	118 Å²	118	75.1 Å²	75.1	72%	0.715	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	1.8	-163.8	-176	0	0	0	0	114.5	E515	E515-V517 VanDerWaalsContact C-N 3.29Å; E515-V517 PolarHBondContact O-N 3.01Å
518	H	40.6	Very low	48.4	Very low	53 Å²	53	80.9 Å²	80.9	25%	0.245	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132	14.2	-145.2	-82.1	-23.8	0	0	0	118.9	E516 R520 R521 S525	E516-H518 PolarHBondContact O-N 3.07Å; H518-R520 PolarHBondContact O-N 3.46Å; H518-R521 CarbonylContact O-C 3.5Å; H518-S525 WeakPolarHBondContact CB-OG 3.42Å; H518-S525 WeakPolarHBondContact CD2-CB 3.41Å; H518-S525 WeakPolarHBondContact ND1-CB 3.39Å; H518-S525 PolarHBondContact O-OG 3.31Å
519	I	46.1	Very low	48.4	Very low	81 Å²	81	82.6 Å²	82.6	42%	0.415	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-35.3	-175.5	-64.9	146.1	0	0	0	113.9	R378 R521	R378-I519 VanDerWaalsContact CZ-CG1 3.45Å; I519-R521 PolarHBondContact O-N 3.19Å
520	R	47.6	Very low	48.7	Very low	250 Å²	250	81.8 Å²	81.8	94%	0.943	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-20.3	-176.3	-72.6	-166.9	178.6	-172.3	2.8	113.6	H518	H518-R520 PolarHBondContact O-N 3.46Å
521	R	52.9	Low	49.3	Very low	175 Å²	175	84.6 Å²	84.6	66%	0.66	41%	0.407	S	S	*	.			trans	-145	74.3	177.7	-61.9	-172.6	178.5	-178.7	0.9	109.9	H518 I519 I523 W524 S525	H518-R521 CarbonylContact O-C 3.5Å; I519-R521 PolarHBondContact O-N 3.19Å; R521-I523 PolarHBondContact O-N 3.49Å; R521-W524 HydrophobicContact CB-CB 4.01Å; R521-W524 PolarHBondContact O-N 3.43Å; R521-S525 WeakPolarHBondContact O-CB 3.46Å; R521-S525 PolarHBondContact O-N 3.5Å; R521-S525 PolarHBondContact O-OG 3.07Å
522	P	51.7	Low	50	Low	66 Å²	66	85.7 Å²	85.7	43%	0.429	41%	0.412	S	S	.	.	H	α-helix	trans	-61.4	-31.8	-173	24.4	-33.8	0	0	0	112.3	S525 M526	P522-S525 WeakPolarHBondContact CA-OG 3.43Å; P522-S525 PolarHBondContact O-OG 2.75Å; P522-M526 WeakPolarHBondContact O-CB 3.39Å; P522-M526 PolarHBondContact O-N 2.91Å; P522-M526 VanDerWaalsContact O-N 3.13Å
523	I	53.1	Low	51.4	Low	77 Å²	77	86.9 Å²	86.9	40%	0.395	42%	0.419	S	S	.	.	H	α-helix	trans	-72.5	-50.1	178.4	-61.5	172.7	0	0	0	110.8	R521 S525 M526 I527	R521-I523 PolarHBondContact O-N 3.49Å; I523-S525 PolarHBondContact O-N 2.9Å; I523-M526 PolarHBondContact O-N 2.93Å; I523-I527 HydrophobicContact CG2-CD1 3.66Å; I523-I527 HydrophobicContact CG2-CG1 4.34Å; I523-I527 WeakPolarHBondContact O-CB 3.28Å; I523-I527 WeakPolarHBondContact O-CG1 3.35Å; I523-I527 PolarHBondContact O-N 2.87Å
524	W	57	Low	52.9	Low	171 Å²	171	89.8 Å²	89.8	65%	0.648	43%	0.428	S	S	*	.	H	α-helix	trans	-67.1	-38.2	-177.2	-86.6	104.8	0	0	0	113.1	R521 K528	R521-W524 HydrophobicContact CB-CB 4.01Å; R521-W524 PolarHBondContact O-N 3.43Å; W524-K528 VanDerWaalsContact O-CB 3.3Å; W524-K528 WeakPolarHBondContact O-CB 3.47Å; W524-K528 PolarHBondContact O-N 3.47Å
525	S	51.5	Low	54.6	Low	8 Å²	8	87.7 Å²	87.7	6%	0.056	41%	0.411	C	S	.	.	H	α-helix	trans	-65	-45.7	174.7	46.8	0	0	0	0	112.7	H518 R521 P522 I523 K528 N529	H518-S525 WeakPolarHBondContact CB-OG 3.42Å; H518-S525 WeakPolarHBondContact CD2-CB 3.41Å; H518-S525 WeakPolarHBondContact ND1-CB 3.39Å; H518-S525 PolarHBondContact O-OG 3.31Å; R521-S525 WeakPolarHBondContact O-CB 3.46Å; R521-S525 PolarHBondContact O-N 3.5Å; R521-S525 PolarHBondContact O-OG 3.07Å; P522-S525 WeakPolarHBondContact CA-OG 3.43Å; P522-S525 PolarHBondContact O-OG 2.75Å; I523-S525 PolarHBondContact O-N 2.9Å; S525-K528 CarbonylContact O-C 3.46Å; S525-K528 WeakPolarHBondContact O-CA 3.46Å; S525-K528 WeakPolarHBondContact O-CB 3.28Å; S525-K528 PolarHBondContact O-N 3.43Å; S525-K528 VanDerWaalsContact O-N 3.09Å; S525-N529 WeakPolarHBondContact O-CB 3.35Å; S525-N529 VanDerWaalsContact O-CG 3.24Å; S525-N529 PolarHBondContact O-N 3Å; S525-N529 PolarHBondContact O-OD1 2.88Å
526	M	50.8	Low	56.6	Low	29 Å²	29	83.1 Å²	83.1	14%	0.143	39%	0.391	C	S	.	.	H	α-helix	trans	-65.1	-42.3	175.7	-175.3	-163	-51.9	0	0	111.4	G132 N135 P522 I523 K528 N529 V530	G132-M526 WeakPolarHBondContact CA-SD 3.12Å; N135-M526 HydrophobicContact CB-CE 3.9Å; N135-M526 WeakPolarHBondContact ND2-CE 3.44Å; N135-M526 PolarHBondContact ND2-SD 3.38Å; P522-M526 WeakPolarHBondContact O-CB 3.39Å; P522-M526 PolarHBondContact O-N 2.91Å; P522-M526 VanDerWaalsContact O-N 3.13Å; I523-M526 PolarHBondContact O-N 2.93Å; M526-K528 PolarHBondContact O-N 3.25Å; M526-N529 PolarHBondContact O-N 3.08Å; M526-V530 HydrophobicContact CG-CG2 4.38Å; M526-V530 WeakPolarHBondContact O-CB 3.28Å; M526-V530 VanDerWaalsContact O-CG2 3.27Å; M526-V530 WeakPolarHBondContact O-CG2 3.23Å; M526-V530 PolarHBondContact O-N 3.44Å
527	I	56.3	Low	58.7	Low	40 Å²	40	89 Å²	89	21%	0.205	42%	0.416	C	S	.	.	H	α-helix	trans	-56.5	-42.5	170.9	-72.3	169.4	0	0	0	109.6	I523 L531	I523-I527 HydrophobicContact CG2-CD1 3.66Å; I523-I527 HydrophobicContact CG2-CG1 4.34Å; I523-I527 WeakPolarHBondContact O-CB 3.28Å; I523-I527 WeakPolarHBondContact O-CG1 3.35Å; I523-I527 PolarHBondContact O-N 2.87Å; I527-L531 HydrophobicContact CG2-CD1 3.5Å; I527-L531 VanDerWaalsContact CG2-CD1 3.5Å; I527-L531 HydrophobicContact CG2-CG 4.17Å; I527-L531 WeakPolarHBondContact O-CA 3.47Å; I527-L531 WeakPolarHBondContact O-CB 3.26Å; I527-L531 WeakPolarHBondContact O-CG 3.35Å; I527-L531 PolarHBondContact O-N 3.38Å
528	K	60.4	Low	60.9	Low	144 Å²	144	83.5 Å²	83.5	63%	0.626	38%	0.383	S	S	*	.	H	α-helix	trans	-66.4	-39.5	177.2	-168.6	-174.5	177.5	-165.4	0	112.7	W524 S525 M526 L531	W524-K528 VanDerWaalsContact O-CB 3.3Å; W524-K528 WeakPolarHBondContact O-CB 3.47Å; W524-K528 PolarHBondContact O-N 3.47Å; S525-K528 CarbonylContact O-C 3.46Å; S525-K528 WeakPolarHBondContact O-CA 3.46Å; S525-K528 WeakPolarHBondContact O-CB 3.28Å; S525-K528 PolarHBondContact O-N 3.43Å; S525-K528 VanDerWaalsContact O-N 3.09Å; M526-K528 PolarHBondContact O-N 3.25Å; K528-L531 CarbonylContact O-C 3.52Å; K528-L531 PolarHBondContact O-N 3.38Å
529	N	54.6	Low	63.2	Low	81 Å²	81	83.1 Å²	83.1	43%	0.433	39%	0.385	S	S	.	.	H	α-helix	trans	-70.3	-37.8	178.5	-69.9	1.8	0	0	0	111.8	S525 M526 N665	S525-N529 WeakPolarHBondContact O-CB 3.35Å; S525-N529 VanDerWaalsContact O-CG 3.24Å; S525-N529 PolarHBondContact O-N 3Å; S525-N529 PolarHBondContact O-OD1 2.88Å; M526-N529 PolarHBondContact O-N 3.08Å; N529-N665 PolarHBondContact O-ND2 2.91Å; N529-N665 PolarHBondContact O-OD1 3.32Å
530	V	58.2	Low	65.3	Low	20 Å²	20	79.3 Å²	79.3	12%	0.121	37%	0.365	C	S	.	.	H	α-helix	trans	-70.3	-39.4	173	173.3	0	0	0	0	110.3	P128 M526 D532 N665	P128-V530 HydrophobicContact CB-CG1 4.42Å; M526-V530 HydrophobicContact CG-CG2 4.38Å; M526-V530 WeakPolarHBondContact O-CB 3.28Å; M526-V530 VanDerWaalsContact O-CG2 3.27Å; M526-V530 WeakPolarHBondContact O-CG2 3.23Å; M526-V530 PolarHBondContact O-N 3.44Å; V530-D532 PolarHBondContact O-N 2.9Å; V530-N665 WeakPolarHBondContact CA-OD1 3.16Å
531	L	62.2	Low	67.3	Low	67 Å²	67	67.4 Å²	67.4	35%	0.351	32%	0.32	S	S	.	.	S	Bend	trans	-82.1	50.5	172.9	-63	175.1	0	0	0	111.7	I527 K528 I533 Y669	I527-L531 HydrophobicContact CG2-CD1 3.5Å; I527-L531 VanDerWaalsContact CG2-CD1 3.5Å; I527-L531 HydrophobicContact CG2-CG 4.17Å; I527-L531 WeakPolarHBondContact O-CA 3.47Å; I527-L531 WeakPolarHBondContact O-CB 3.26Å; I527-L531 WeakPolarHBondContact O-CG 3.35Å; I527-L531 PolarHBondContact O-N 3.38Å; K528-L531 CarbonylContact O-C 3.52Å; K528-L531 PolarHBondContact O-N 3.38Å; L531-I533 PolarHBondContact O-N 2.73Å; L531-Y669 WeakPolarHBondContact CA-OH 3.4Å; L531-Y669 HydrophobicContact CD2-CE1 3.69Å; L531-Y669 PolarHBondContact O-OH 3.38Å
532	D	64	Low	69.1	Low	45 Å²	45	62.8 Å²	62.8	24%	0.241	31%	0.308	C	S	.	.			trans	-69	112.7	172.6	-176.5	3.9	0	0	0	110.2	V530 E534 N665 Y669	V530-D532 PolarHBondContact O-N 2.9Å; D532-E534 PolarHBondContact O-N 3.08Å; D532-E534 VanDerWaalsContact OD1-CB 3.3Å; D532-E534 WeakPolarHBondContact OD1-CB 3.38Å; D532-E534 WeakPolarHBondContact OD1-CG 3.48Å; D532-E534 PolarHBondContact OD1-N 3.22Å; D532-N665 WeakPolarHBondContact CB-ND2 3.36Å; D532-Y669 VanDerWaalsContact C-OH 3.29Å; D532-Y669 PolarHBondContact N-OH 2.96Å; D532-Y669 WeakPolarHBondContact O-CE2 3.33Å; D532-Y669 PolarHBondContact O-OH 3.34Å
533	I	72.6	Confident	71	Confident	115 Å²	115	61.2 Å²	61.2	59%	0.59	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-17.7	-178.2	-60.3	172.9	0	0	0	110.7	L531 L535 L536	L531-I533 PolarHBondContact O-N 2.73Å; I533-L535 PolarHBondContact O-N 2.85Å; I533-L536 WeakPolarHBondContact O-CB 3.36Å; I533-L536 PolarHBondContact O-N 3.4Å
534	E	72.9	Confident	72.7	Confident	111 Å²	111	57.5 Å²	57.5	52%	0.519	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-35.8	178.7	-66.2	-164.8	164.2	0	0	112.4	D532 L536 K537	D532-E534 PolarHBondContact O-N 3.08Å; D532-E534 VanDerWaalsContact OD1-CB 3.3Å; D532-E534 WeakPolarHBondContact OD1-CB 3.38Å; D532-E534 WeakPolarHBondContact OD1-CG 3.48Å; D532-E534 PolarHBondContact OD1-N 3.22Å; E534-L536 VanDerWaalsContact C-N 3.25Å; E534-L536 PolarHBondContact O-N 3.4Å; E534-K537 WeakPolarHBondContact O-CB 3.3Å; E534-K537 PolarHBondContact O-N 2.99Å
535	L	76.1	Confident	74.3	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-59.6	-37.3	173.8	-92.2	158.4	0	0	0	112.7	I533 K537 S538 F541 L658 R662 N665 A666	I533-L535 PolarHBondContact O-N 2.85Å; L535-K537 PolarHBondContact O-N 3.17Å; L535-S538 WeakPolarHBondContact O-CB 3.3Å; L535-S538 PolarHBondContact O-N 3.09Å; L535-F541 HydrophobicContact CB-CD1 4.32Å; L535-F541 HydrophobicContact CD2-CB 4.46Å; L535-F541 HydrophobicContact CD2-CD2 4.24Å; L535-F541 HydrophobicContact CD2-CG 4.16Å; L535-F541 WeakPolarHBondContact O-CB 3.49Å; L535-F541 WeakPolarHBondContact O-CD1 3.37Å; L535-L658 HydrophobicContact CD2-CD1 4.29Å; L535-R662 HydrophobicContact CD1-CB 4.38Å; L535-R662 HydrophobicContact CD2-CB 4.09Å; L535-N665 HydrophobicContact CD1-CB 3.17Å; L535-A666 HydrophobicContact CD1-CB 4.49Å; L535-A666 HydrophobicContact CD2-CB 4.1Å
536	L	81.3	Confident	76.3	Confident	60 Å²	60	52.7 Å²	52.7	31%	0.314	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-69.6	-12.4	177.7	-62.5	171.1	0	0	0	113	I533 E534 F541 I542 Y669 F673	I533-L536 WeakPolarHBondContact O-CB 3.36Å; I533-L536 PolarHBondContact O-N 3.4Å; E534-L536 VanDerWaalsContact C-N 3.25Å; E534-L536 PolarHBondContact O-N 3.4Å; L536-F541 HydrophobicContact CD2-CD1 4.39Å; L536-F541 HydrophobicContact CD2-CE1 3.84Å; L536-I542 WeakPolarHBondContact O-CD1 3.38Å; L536-Y669 HydrophobicContact CD1-CE1 4.16Å; L536-F673 HydrophobicContact CD2-CE2 3.92Å; L536-F673 HydrophobicContact CD2-CZ 3.77Å
537	K	83.5	Confident	78.4	Confident	158 Å²	158	51.3 Å²	51.3	69%	0.687	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-85.5	-18.3	171.9	-60.9	177.4	-177.5	169.6	0	112.6	E534 L535 P539	E534-K537 WeakPolarHBondContact O-CB 3.3Å; E534-K537 PolarHBondContact O-N 2.99Å; L535-K537 PolarHBondContact O-N 3.17Å; K537-P539 VanDerWaalsContact O-CD 3.28Å; K537-P539 WeakPolarHBondContact O-CD 3.47Å
538	S	85.6	Confident	80	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.021	25%	0.25	C	C	.	.			trans	-71.4	115.9	179.9	171.4	0	0	0	0	110.4	L535 T540 F541 I542 E723	L535-S538 WeakPolarHBondContact O-CB 3.3Å; L535-S538 PolarHBondContact O-N 3.09Å; S538-T540 PolarHBondContact O-N 3.3Å; S538-T540 PolarHBondContact OG-N 3.47Å; S538-F541 PolarHBondContact O-N 3.18Å; S538-F541 VanDerWaalsContact O-N 3.14Å; S538-F541 PolarHBondContact OG-N 2.89Å; S538-I542 WeakPolarHBondContact O-CG1 3.37Å; S538-I542 PolarHBondContact O-N 3.48Å; S538-E723 WeakPolarHBondContact CA-OE1 3.47Å; S538-E723 WeakPolarHBondContact CB-OE1 3.48Å; S538-E723 PolarHBondContact OG-OE1 3.4Å; S538-E723 PolarHBondContact OG-OE2 2.92Å; S538-E723 VanDerWaalsContact OG-OE2 3.04Å
539	P	89.4	Confident	81.7	Confident	44 Å²	44	44.6 Å²	44.6	29%	0.286	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-30.9	177.4	23.5	-31.4	0	0	0	112.1	K537 I542 L543 L719 W722	K537-P539 VanDerWaalsContact O-CD 3.28Å; K537-P539 WeakPolarHBondContact O-CD 3.47Å; P539-I542 PolarHBondContact O-N 2.94Å; P539-L543 WeakPolarHBondContact O-CB 3.16Å; P539-L543 PolarHBondContact O-N 3.45Å; P539-L719 HydrophobicContact CB-CD1 4.47Å; P539-L719 HydrophobicContact CB-CD2 4.35Å; P539-W722 HydrophobicContact CG-CZ3 3.88Å
540	T	89.6	Confident	83.6	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-44.8	174.1	-58.2	0	0	0	0	111.1	S538 L543 L544 V657 L658 L716 A720 E723	S538-T540 PolarHBondContact O-N 3.3Å; S538-T540 PolarHBondContact OG-N 3.47Å; T540-L543 PolarHBondContact O-N 3.26Å; T540-L544 WeakPolarHBondContact O-CB 3.31Å; T540-L544 PolarHBondContact O-N 2.81Å; T540-V657 HydrophobicContact CG2-CG1 3.07Å; T540-L658 HydrophobicContact CG2-CD2 4.15Å; T540-L716 HydrophobicContact CG2-CD1 3.66Å; T540-L716 HydrophobicContact CG2-CG 4.28Å; T540-A720 HydrophobicContact CG2-CB 4.05Å; T540-E723 WeakPolarHBondContact CB-OE2 3.42Å; T540-E723 PolarHBondContact N-OE2 3.25Å; T540-E723 PolarHBondContact OG1-OE2 2.87Å
541	F	88.8	Confident	85.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.7	-42.3	175.6	179.8	-107.7	0	0	0	112.7	L535 L536 S538 L543 L544 S545 L658 A666 Y669 M670 F673	L535-F541 HydrophobicContact CB-CD1 4.32Å; L535-F541 HydrophobicContact CD2-CB 4.46Å; L535-F541 HydrophobicContact CD2-CD2 4.24Å; L535-F541 HydrophobicContact CD2-CG 4.16Å; L535-F541 WeakPolarHBondContact O-CB 3.49Å; L535-F541 WeakPolarHBondContact O-CD1 3.37Å; L536-F541 HydrophobicContact CD2-CD1 4.39Å; L536-F541 HydrophobicContact CD2-CE1 3.84Å; S538-F541 PolarHBondContact O-N 3.18Å; S538-F541 VanDerWaalsContact O-N 3.14Å; S538-F541 PolarHBondContact OG-N 2.89Å; F541-L543 VanDerWaalsContact C-N 3.35Å; F541-L543 PolarHBondContact O-N 2.64Å; F541-L544 PolarHBondContact O-N 3.44Å; F541-S545 WeakPolarHBondContact CE1-OG 3.22Å; F541-S545 WeakPolarHBondContact CZ-OG 3.43Å; F541-S545 VanDerWaalsContact O-CB 3.31Å; F541-S545 WeakPolarHBondContact O-CB 3.42Å; F541-S545 PolarHBondContact O-N 2.83Å; F541-S545 PolarHBondContact O-OG 3.47Å; F541-L658 HydrophobicContact CB-CD1 4.16Å; F541-L658 HydrophobicContact CB-CD2 4.31Å; F541-L658 HydrophobicContact CD2-CD1 3.6Å; F541-L658 HydrophobicContact CG-CD1 4.32Å; F541-A666 HydrophobicContact CD2-CB 3.88Å; F541-A666 VanDerWaalsContact CE2-CA 3.5Å; F541-A666 HydrophobicContact CE2-CB 3.58Å; F541-A666 WeakPolarHBondContact CE2-O 3.41Å; F541-Y669 HydrophobicContact CZ-CD2 4.39Å; F541-Y669 HydrophobicContact CZ-CG 4.3Å; F541-M670 HydrophobicContact CE2-CG 3.87Å; F541-M670 HydrophobicContact CE2-SD 4.24Å; F541-M670 HydrophobicContact CZ-CG 4.24Å; F541-F673 HydrophobicContact CE1-CE2 4.45Å
542	I	91	Very high	86.8	Confident	79 Å²	79	39 Å²	39	41%	0.405	20%	0.202	S	C	.	.	H	α-helix	trans	-59.2	-47.7	176.5	-65.7	168.8	0	0	0	110.1	L536 S538 P539 L544 S545 V546	L536-I542 WeakPolarHBondContact O-CD1 3.38Å; S538-I542 WeakPolarHBondContact O-CG1 3.37Å; S538-I542 PolarHBondContact O-N 3.48Å; P539-I542 PolarHBondContact O-N 2.94Å; I542-L544 VanDerWaalsContact C-N 3.33Å; I542-L544 PolarHBondContact O-N 3.49Å; I542-S545 WeakPolarHBondContact O-CB 3.43Å; I542-S545 PolarHBondContact O-N 3.32Å; I542-V546 HydrophobicContact CG2-CG2 4.25Å; I542-V546 WeakPolarHBondContact O-CG2 3.22Å; I542-V546 PolarHBondContact O-N 3.39Å
543	L	92	Very high	88.3	Confident	32 Å²	32	39 Å²	39	17%	0.168	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-43.2	179.7	-176.2	61.6	0	0	0	111.7	P539 T540 F541 S545 S547 L712 P715 L716 L719	P539-L543 WeakPolarHBondContact O-CB 3.16Å; P539-L543 PolarHBondContact O-N 3.45Å; T540-L543 PolarHBondContact O-N 3.26Å; F541-L543 VanDerWaalsContact C-N 3.35Å; F541-L543 PolarHBondContact O-N 2.64Å; L543-S545 VanDerWaalsContact C-N 3.34Å; L543-S547 WeakPolarHBondContact O-CB 3.48Å; L543-S547 PolarHBondContact O-N 3.03Å; L543-L712 HydrophobicContact CD1-CB 4.19Å; L543-L712 HydrophobicContact CD1-CD2 4.16Å; L543-L712 WeakPolarHBondContact CD2-O 3.37Å; L543-P715 HydrophobicContact CD2-CG 4.35Å; L543-L716 HydrophobicContact CB-CD1 4.42Å; L543-L716 HydrophobicContact CD2-CD1 4.05Å; L543-L716 HydrophobicContact CG-CD1 4.4Å; L543-L719 HydrophobicContact CB-CD2 4.28Å; L543-L719 HydrophobicContact CD2-CD2 3.72Å
544	L	89.9	Confident	89.3	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-37.3	176.8	-171.6	60.1	0	0	0	112.2	T540 F541 I542 S548 L653 I654 M670 L716	T540-L544 WeakPolarHBondContact O-CB 3.31Å; T540-L544 PolarHBondContact O-N 2.81Å; F541-L544 PolarHBondContact O-N 3.44Å; I542-L544 VanDerWaalsContact C-N 3.33Å; I542-L544 PolarHBondContact O-N 3.49Å; L544-S548 WeakPolarHBondContact O-CB 3.46Å; L544-S548 PolarHBondContact O-N 2.86Å; L544-S548 PolarHBondContact O-OG 2.83Å; L544-L653 HydrophobicContact CD1-CD2 4.23Å; L544-I654 HydrophobicContact CD2-CB 4.46Å; L544-I654 HydrophobicContact CD2-CG1 3.65Å; L544-M670 HydrophobicContact CD1-CE 4.45Å; L544-M670 HydrophobicContact CD2-CE 4.21Å; L544-M670 HydrophobicContact CD2-SD 4.01Å; L544-M670 HydrophobicContact CG-CE 3.87Å; L544-M670 HydrophobicContact CG-SD 4.09Å; L544-L716 HydrophobicContact CD1-CD2 4.11Å
545	S	90.4	Very high	90.3	Very high	7 Å²	7	28.6 Å²	28.6	5%	0.049	15%	0.15	C	C	.	.	H	α-helix	trans	-68.1	-47.7	176.4	-65.8	0	0	0	0	111.9	F541 I542 L543 S547 S548 V549	F541-S545 WeakPolarHBondContact CE1-OG 3.22Å; F541-S545 WeakPolarHBondContact CZ-OG 3.43Å; F541-S545 VanDerWaalsContact O-CB 3.31Å; F541-S545 WeakPolarHBondContact O-CB 3.42Å; F541-S545 PolarHBondContact O-N 2.83Å; F541-S545 PolarHBondContact O-OG 3.47Å; I542-S545 WeakPolarHBondContact O-CB 3.43Å; I542-S545 PolarHBondContact O-N 3.32Å; L543-S545 VanDerWaalsContact C-N 3.34Å; S545-S547 VanDerWaalsContact C-N 3.34Å; S545-S547 PolarHBondContact O-N 3.29Å; S545-S548 WeakPolarHBondContact O-CB 3.49Å; S545-S548 PolarHBondContact O-N 3.38Å; S545-S548 VanDerWaalsContact O-N 3.07Å; S545-V549 WeakPolarHBondContact O-CG2 3.33Å; S545-V549 PolarHBondContact O-N 2.86Å
546	V	93.6	Very high	91.2	Very high	71 Å²	71	28.6 Å²	28.6	43%	0.43	15%	0.15	S	C	.	.	H	α-helix	trans	-60.2	-45.3	175.7	171.2	0	0	0	0	110.7	I542 S548 V549 L550 L712	I542-V546 HydrophobicContact CG2-CG2 4.25Å; I542-V546 WeakPolarHBondContact O-CG2 3.22Å; I542-V546 PolarHBondContact O-N 3.39Å; V546-S548 VanDerWaalsContact C-N 3.27Å; V546-S548 PolarHBondContact O-N 3.27Å; V546-V549 PolarHBondContact O-N 3.43Å; V546-L550 HydrophobicContact CG1-CD1 4.16Å; V546-L550 WeakPolarHBondContact O-CG 3.28Å; V546-L550 PolarHBondContact O-N 3.17Å; V546-L550 VanDerWaalsContact O-N 3.07Å; V546-L712 HydrophobicContact CG1-CD1 4.34Å
547	S	93.5	Very high	91.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.6	-40.9	174.1	177.4	0	0	0	0	111.5	L543 S545 L550 S551 S709 C713	L543-S547 WeakPolarHBondContact O-CB 3.48Å; L543-S547 PolarHBondContact O-N 3.03Å; S545-S547 VanDerWaalsContact C-N 3.34Å; S545-S547 PolarHBondContact O-N 3.29Å; S547-L550 PolarHBondContact O-N 2.83Å; S547-S551 PolarHBondContact O-N 2.79Å; S547-S551 PolarHBondContact O-OG 2.89Å; S547-S551 VanDerWaalsContact O-OG 3.11Å; S547-S709 WeakPolarHBondContact O-CB 3.41Å; S547-S709 PolarHBondContact O-OG 3.36Å; S547-S709 PolarHBondContact OG-O 3.37Å; S547-S709 PolarHBondContact OG-OG 3.13Å; S547-C713 WeakPolarHBondContact CB-SG 3.43Å; S547-C713 PolarHBondContact OG-SG 2.88Å
548	S	91.1	Very high	92.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-65.3	-40.8	179	-61.8	0	0	0	0	113.8	L544 S545 V546 L550 S551 M552 R650 M670	L544-S548 WeakPolarHBondContact O-CB 3.46Å; L544-S548 PolarHBondContact O-N 2.86Å; L544-S548 PolarHBondContact O-OG 2.83Å; S545-S548 WeakPolarHBondContact O-CB 3.49Å; S545-S548 PolarHBondContact O-N 3.38Å; S545-S548 VanDerWaalsContact O-N 3.07Å; V546-S548 VanDerWaalsContact C-N 3.27Å; V546-S548 PolarHBondContact O-N 3.27Å; S548-L550 VanDerWaalsContact C-N 3.35Å; S548-S551 WeakPolarHBondContact O-CB 3.29Å; S548-S551 PolarHBondContact O-N 3.4Å; S548-M552 WeakPolarHBondContact O-CB 3.33Å; S548-M552 PolarHBondContact O-N 2.96Å; S548-R650 PolarHBondContact OG-NH1 2.93Å; S548-M670 WeakPolarHBondContact OG-CE 3.48Å
549	V	94.9	Very high	92.7	Very high	42 Å²	42	18.3 Å²	18.3	26%	0.255	10%	0.102	S	C	.	.	H	α-helix	trans	-60.4	-47	173.8	170	0	0	0	0	110.2	S545 V546 M552 I553 F673 A677	S545-V549 WeakPolarHBondContact O-CG2 3.33Å; S545-V549 PolarHBondContact O-N 2.86Å; V546-V549 PolarHBondContact O-N 3.43Å; V549-M552 PolarHBondContact O-N 3.28Å; V549-I553 HydrophobicContact CG1-CD1 4.3Å; V549-I553 WeakPolarHBondContact O-CG1 3.43Å; V549-I553 PolarHBondContact O-N 3.41Å; V549-F673 HydrophobicContact CG2-CB 3.74Å; V549-A677 HydrophobicContact CB-CB 4.47Å; V549-A677 HydrophobicContact CG1-CB 3.83Å
550	L	95.9	Very high	92.9	Very high	44 Å²	44	16.4 Å²	16.4	23%	0.23	9%	0.09	C	C	.	.	H	α-helix	trans	-66.1	-39.1	178.8	-71	173.7	0	0	0	113.3	V546 S547 S548 M552 I553 S705 I708 L712	V546-L550 HydrophobicContact CG1-CD1 4.16Å; V546-L550 WeakPolarHBondContact O-CG 3.28Å; V546-L550 PolarHBondContact O-N 3.17Å; V546-L550 VanDerWaalsContact O-N 3.07Å; S547-L550 PolarHBondContact O-N 2.83Å; S548-L550 VanDerWaalsContact C-N 3.35Å; L550-M552 VanDerWaalsContact C-N 3.3Å; L550-M552 PolarHBondContact O-N 2.8Å; L550-I553 HydrophobicContact CD2-CD1 4.48Å; L550-S705 CarbonylContact O-C 3.6Å; L550-S705 WeakPolarHBondContact O-CB 3.16Å; L550-S705 PolarHBondContact O-OG 3.03Å; L550-I708 HydrophobicContact CD1-CG2 4.09Å; L550-L712 HydrophobicContact CD1-CD1 3.52Å
551	S	94.1	Very high	93.1	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.007	9%	0.089	C	C	.	.	H	α-helix	trans	-56.4	-48.1	170.5	-67.1	0	0	0	0	109.8	S547 S548 I553 G554 Y555 F646 R650 V706 S709	S547-S551 PolarHBondContact O-N 2.79Å; S547-S551 PolarHBondContact O-OG 2.89Å; S547-S551 VanDerWaalsContact O-OG 3.11Å; S548-S551 WeakPolarHBondContact O-CB 3.29Å; S548-S551 PolarHBondContact O-N 3.4Å; S551-I553 PolarHBondContact O-N 3.17Å; S551-G554 PolarHBondContact O-N 3.15Å; S551-Y555 VanDerWaalsContact O-CB 3.23Å; S551-Y555 WeakPolarHBondContact O-CB 3.27Å; S551-Y555 PolarHBondContact O-N 3.03Å; S551-F646 VanDerWaalsContact CB-CE2 3.46Å; S551-F646 VanDerWaalsContact CB-CZ 3.47Å; S551-F646 WeakPolarHBondContact OG-CE2 3.25Å; S551-R650 PolarHBondContact OG-NH2 2.83Å; S551-V706 WeakPolarHBondContact O-CG2 3.47Å; S551-S709 PolarHBondContact OG-OG 2.97Å
552	M	93.1	Very high	93.5	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.03	9%	0.089	C	C	.	.	H	α-helix	trans	-68.5	-35	-172.7	-166.5	58	81.1	0	0	112.9	F124 S548 V549 L550 G554 Y555 C556 Q674 A677 Y678	F124-M552 HydrophobicContact CE2-CE 3.8Å; F124-M552 HydrophobicContact CE2-SD 4.43Å; F124-M552 HydrophobicContact CZ-CE 4.01Å; S548-M552 WeakPolarHBondContact O-CB 3.33Å; S548-M552 PolarHBondContact O-N 2.96Å; V549-M552 PolarHBondContact O-N 3.28Å; L550-M552 VanDerWaalsContact C-N 3.3Å; L550-M552 PolarHBondContact O-N 2.8Å; M552-G554 PolarHBondContact O-N 2.99Å; M552-Y555 PolarHBondContact O-N 3.43Å; M552-Y555 HydrophobicContact SD-CD1 3.84Å; M552-Y555 HydrophobicContact SD-CG 4.37Å; M552-C556 PolarHBondContact O-N 2.61Å; M552-Q674 HydrophobicContact CB-CB 4.29Å; M552-Q674 HydrophobicContact CB-CG 4.2Å; M552-Q674 HydrophobicContact CE-CB 3.89Å; M552-Q674 HydrophobicContact CE-CG 4.02Å; M552-Q674 HydrophobicContact CG-CB 4.1Å; M552-Q674 HydrophobicContact CG-CG 4.48Å; M552-A677 HydrophobicContact CB-CB 4.2Å; M552-A677 HydrophobicContact CG-CB 4.42Å; M552-Y678 HydrophobicContact CG-CD2 3.77Å; M552-Y678 HydrophobicContact CG-CG 4.46Å; M552-Y678 HydrophobicContact SD-CD2 3.54Å; M552-Y678 VanDerWaalsContact SD-CD2 3.54Å; M552-Y678 HydrophobicContact SD-CE2 4.1Å
553	I	95.4	Very high	93.6	Very high	46 Å²	46	12.7 Å²	12.7	24%	0.236	7%	0.07	C	C	.	.	H	α-helix	trans	-57.7	-47.6	174.1	-68.8	167.6	0	0	0	111.2	V549 L550 S551 C556 A677 A681 F685	V549-I553 HydrophobicContact CG1-CD1 4.3Å; V549-I553 WeakPolarHBondContact O-CG1 3.43Å; V549-I553 PolarHBondContact O-N 3.41Å; L550-I553 HydrophobicContact CD2-CD1 4.48Å; S551-I553 PolarHBondContact O-N 3.17Å; I553-C556 PolarHBondContact O-SG 3.24Å; I553-A677 HydrophobicContact CG1-CB 4.09Å; I553-A681 HydrophobicContact CB-CB 4.26Å; I553-A681 HydrophobicContact CG1-CB 4.18Å; I553-A681 HydrophobicContact CG2-CB 4.03Å; I553-F685 HydrophobicContact CG2-CE2 4.03Å; I553-F685 HydrophobicContact CG2-CZ 3.83Å; I553-F685 WeakPolarHBondContact O-CE2 3.41Å
554	G	94.3	Very high	93.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-83.3	-25.9	-178.5	0	0	0	0	0	113.2	S551 M552 C556 V557 P558 G702 S705	S551-G554 PolarHBondContact O-N 3.15Å; M552-G554 PolarHBondContact O-N 2.99Å; G554-C556 PolarHBondContact O-N 3.35Å; G554-V557 WeakPolarHBondContact O-CB 3.39Å; G554-V557 PolarHBondContact O-N 2.98Å; G554-V557 VanDerWaalsContact O-N 3.1Å; G554-P558 WeakPolarHBondContact O-CD 3.39Å; G554-G702 VanDerWaalsContact CA-O 3.28Å; G554-G702 WeakPolarHBondContact CA-O 3.48Å; G554-S705 WeakPolarHBondContact CA-OG 3.48Å; G554-S705 PolarHBondContact N-OG 3.49Å; G554-S705 VanDerWaalsContact N-OG 3.08Å
555	Y	93.9	Very high	93.9	Very high	7 Å²	7	11.8 Å²	11.8	3%	0.027	7%	0.066	C	C	.	.	H	α-helix	trans	-55.6	-38.1	177.2	178.9	-101.5	0	0	0	112.5	F92 S551 M552 V557 P558 Y559 I643 F646 I647 Y678	F92-Y555 AromaticContact CE1-CE1 3.83Å; F92-Y555 HydrophobicContact CE1-CE1 3.83Å; F92-Y555 AromaticContact CE1-CZ 3.97Å; F92-Y555 VanDerWaalsContact CE1-OH 3.22Å; F92-Y555 WeakPolarHBondContact CE1-OH 3.25Å; F92-Y555 HydrophobicContact CZ-CE1 4.34Å; F92-Y555 WeakPolarHBondContact CZ-OH 3.43Å; S551-Y555 VanDerWaalsContact O-CB 3.23Å; S551-Y555 WeakPolarHBondContact O-CB 3.27Å; S551-Y555 PolarHBondContact O-N 3.03Å; M552-Y555 PolarHBondContact O-N 3.43Å; M552-Y555 HydrophobicContact SD-CD1 3.84Å; M552-Y555 HydrophobicContact SD-CG 4.37Å; Y555-V557 VanDerWaalsContact C-N 3.27Å; Y555-V557 PolarHBondContact O-N 3.29Å; Y555-P558 WeakPolarHBondContact O-CD 3.48Å; Y555-Y559 HydrophobicContact CD2-CE2 4.45Å; Y555-Y559 HydrophobicContact CE1-CD2 4.32Å; Y555-Y559 HydrophobicContact CE1-CE2 4.1Å; Y555-Y559 AromaticContact CE2-CE2 3.74Å; Y555-Y559 HydrophobicContact CE2-CE2 3.74Å; Y555-Y559 AromaticContact CZ-CE2 3.52Å; Y555-Y559 WeakPolarHBondContact O-CD2 3.39Å; Y555-Y559 WeakPolarHBondContact OH-CE2 3.3Å; Y555-I643 HydrophobicContact CD2-CD1 4.01Å; Y555-I643 HydrophobicContact CD2-CG1 3.59Å; Y555-I643 HydrophobicContact CE2-CG1 3.71Å; Y555-F646 HydrophobicContact CD2-CD1 4.29Å; Y555-F646 HydrophobicContact CD2-CE1 4.48Å; Y555-I647 HydrophobicContact CE2-CD1 4.35Å; Y555-Y678 HydrophobicContact CD1-CE2 4.24Å
556	C	93.1	Very high	94.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-70	-21.6	-178.6	75	0	0	0	0	113.7	M552 I553 G554 Q560 Y678 P682	M552-C556 PolarHBondContact O-N 2.61Å; I553-C556 PolarHBondContact O-SG 3.24Å; G554-C556 PolarHBondContact O-N 3.35Å; C556-Q560 WeakPolarHBondContact O-CB 3.29Å; C556-Q560 WeakPolarHBondContact O-CG 2.92Å; C556-Q560 PolarHBondContact O-N 3.33Å; C556-Q560 VanDerWaalsContact O-N 3.08Å; C556-Y678 HydrophobicContact CB-CD2 4.12Å; C556-Y678 HydrophobicContact CB-CE2 3.5Å; C556-P682 HydrophobicContact CB-CG 4.18Å
557	V	96	Very high	94.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63	-51.1	-168.9	169.8	0	0	0	0	112.8	G554 Y555 Y559 Q560 F561 T620 F685 I698 F699	G554-V557 WeakPolarHBondContact O-CB 3.39Å; G554-V557 PolarHBondContact O-N 2.98Å; G554-V557 VanDerWaalsContact O-N 3.1Å; Y555-V557 VanDerWaalsContact C-N 3.27Å; Y555-V557 PolarHBondContact O-N 3.29Å; V557-Y559 VanDerWaalsContact C-N 3.35Å; V557-Y559 PolarHBondContact O-N 2.71Å; V557-Q560 PolarHBondContact O-N 3.3Å; V557-F561 HydrophobicContact CG1-CD2 4.49Å; V557-F561 PolarHBondContact O-N 2.83Å; V557-T620 HydrophobicContact CG1-CG2 4.39Å; V557-F685 HydrophobicContact CG2-CD2 3.77Å; V557-F685 HydrophobicContact CG2-CE2 3.43Å; V557-F685 VanDerWaalsContact CG2-CE2 3.43Å; V557-F685 HydrophobicContact CG2-CZ 3.99Å; V557-I698 HydrophobicContact CG1-CG2 3.93Å; V557-I698 HydrophobicContact CG2-CG2 4.05Å; V557-F699 HydrophobicContact CG1-CD1 3.7Å; V557-F699 HydrophobicContact CG1-CE1 3.74Å; V557-F699 HydrophobicContact CG1-CG 4.16Å; V557-F699 HydrophobicContact CG1-CZ 4.21Å
558	P	94.7	Very high	94	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-71	-32.2	-175.6	-24.1	41.1	0	0	0	112.4	G554 Y555 L562 L583 T620 Y635 Y639	G554-P558 WeakPolarHBondContact O-CD 3.39Å; Y555-P558 WeakPolarHBondContact O-CD 3.48Å; P558-L562 WeakPolarHBondContact O-CB 3.43Å; P558-L562 PolarHBondContact O-N 3.49Å; P558-L583 HydrophobicContact CB-CD1 3.88Å; P558-T620 HydrophobicContact CG-CG2 4.31Å; P558-Y635 HydrophobicContact CB-CE1 4.41Å; P558-Y635 WeakPolarHBondContact CG-OH 3.23Å; P558-Y639 HydrophobicContact CB-CD1 4.12Å; P558-Y639 HydrophobicContact CB-CE1 3.85Å; P558-Y639 HydrophobicContact CG-CD1 4.15Å; P558-Y639 HydrophobicContact CG-CD2 4.41Å; P558-Y639 HydrophobicContact CG-CE1 3.65Å; P558-Y639 HydrophobicContact CG-CE2 3.95Å
559	Y	92.6	Very high	94	Very high	5 Å²	5	19 Å²	19	2%	0.02	10%	0.096	C	C	.	.	H	α-helix	trans	-70.7	-32.3	176.9	-71	-77.7	0	0	0	112.6	F92 Y555 V557 L580 L583	F92-Y559 HydrophobicContact CB-CD1 3.56Å; F92-Y559 HydrophobicContact CB-CE1 3.8Å; F92-Y559 HydrophobicContact CB-CG 4.35Å; F92-Y559 HydrophobicContact CD1-CD1 4.11Å; F92-Y559 HydrophobicContact CD1-CE1 4.15Å; F92-Y559 HydrophobicContact CD1-CG 4.26Å; F92-Y559 HydrophobicContact CD2-CD1 4.39Å; F92-Y559 AromaticContact CD2-CE1 3.8Å; F92-Y559 HydrophobicContact CD2-CE1 3.8Å; F92-Y559 HydrophobicContact CE2-CE1 4.44Å; F92-Y559 AromaticContact CG-CD1 3.77Å; F92-Y559 HydrophobicContact CG-CD1 3.77Å; F92-Y559 AromaticContact CG-CE1 3.64Å; F92-Y559 HydrophobicContact CG-CE1 3.64Å; F92-Y559 HydrophobicContact CG-CG 4.38Å; Y555-Y559 HydrophobicContact CD2-CE2 4.45Å; Y555-Y559 HydrophobicContact CE1-CD2 4.32Å; Y555-Y559 HydrophobicContact CE1-CE2 4.1Å; Y555-Y559 AromaticContact CE2-CE2 3.74Å; Y555-Y559 HydrophobicContact CE2-CE2 3.74Å; Y555-Y559 AromaticContact CZ-CE2 3.52Å; Y555-Y559 WeakPolarHBondContact O-CD2 3.39Å; Y555-Y559 WeakPolarHBondContact OH-CE2 3.3Å; V557-Y559 VanDerWaalsContact C-N 3.35Å; V557-Y559 PolarHBondContact O-N 2.71Å; Y559-L580 WeakPolarHBondContact O-CD2 3.35Å; Y559-L583 HydrophobicContact CD1-CD2 4.19Å; Y559-L583 HydrophobicContact CE1-CD2 3.37Å; Y559-L583 HydrophobicContact CE2-CD2 4.07Å; Y559-L583 VanDerWaalsContact OH-CD2 3.25Å; Y559-L583 WeakPolarHBondContact OH-CD2 3.5Å
560	Q	92.8	Very high	93.9	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.019	12%	0.116	C	C	.	.	H	α-helix	trans	-95.9	-38	-175.2	-64.8	-164.3	42.1	0	0	114.2	C556 V557 Y678	C556-Q560 WeakPolarHBondContact O-CB 3.29Å; C556-Q560 WeakPolarHBondContact O-CG 2.92Å; C556-Q560 PolarHBondContact O-N 3.33Å; C556-Q560 VanDerWaalsContact O-N 3.08Å; V557-Q560 PolarHBondContact O-N 3.3Å; Q560-Y678 PolarHBondContact NE2-OH 2.82Å
561	F	94.8	Very high	93.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-115.1	-5.5	-168.1	-57.3	-67.9	0	0	0	114.5	K109 T113 V557 D564 N565 F685 F695 I698 F699	K109-F561 HydrophobicContact CD-CE1 4.33Å; K109-F561 HydrophobicContact CG-CE1 4.37Å; T113-F561 HydrophobicContact CG2-CE1 3.82Å; T113-F561 HydrophobicContact CG2-CZ 3.9Å; V557-F561 HydrophobicContact CG1-CD2 4.49Å; V557-F561 PolarHBondContact O-N 2.83Å; F561-D564 PolarHBondContact O-N 2.8Å; F561-N565 VanDerWaalsContact O-CB 3.28Å; F561-N565 WeakPolarHBondContact O-CB 3.16Å; F561-N565 PolarHBondContact O-N 3.43Å; F561-F685 HydrophobicContact CE2-CB 3.63Å; F561-F685 HydrophobicContact CE2-CD2 4.24Å; F561-F685 HydrophobicContact CE2-CG 4.34Å; F561-F685 HydrophobicContact CZ-CB 3.81Å; F561-F695 HydrophobicContact CB-CD1 3.98Å; F561-F695 HydrophobicContact CB-CE1 4.15Å; F561-F695 HydrophobicContact CD1-CD1 4.25Å; F561-F695 AromaticContact CD1-CE1 3.8Å; F561-F695 HydrophobicContact CD1-CE1 3.8Å; F561-F695 HydrophobicContact CG-CD1 4.36Å; F561-F695 HydrophobicContact CG-CE1 4.32Å; F561-I698 HydrophobicContact CD2-CG2 3.77Å; F561-I698 HydrophobicContact CE2-CG2 4.15Å; F561-I698 HydrophobicContact CG-CG2 4.34Å; F561-F699 HydrophobicContact CB-CE2 4.45Å; F561-F699 HydrophobicContact CB-CZ 4.43Å
562	L	95.6	Very high	93.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68	-39.8	-177.8	-174.6	60.9	0	0	0	113.1	P558 A566 L579 L583 L632 Y635 F699	P558-L562 WeakPolarHBondContact O-CB 3.43Å; P558-L562 PolarHBondContact O-N 3.49Å; L562-A566 WeakPolarHBondContact O-CB 3.46Å; L562-A566 PolarHBondContact O-N 3.29Å; L562-L579 HydrophobicContact CD1-CD1 4.43Å; L562-L579 HydrophobicContact CD2-CB 4Å; L562-L579 HydrophobicContact CG-CB 4.24Å; L562-L579 HydrophobicContact CG-CD1 4.04Å; L562-L583 HydrophobicContact CD2-CD1 4.3Å; L562-L632 HydrophobicContact CD1-CD2 4.28Å; L562-Y635 HydrophobicContact CD1-CD1 4Å; L562-Y635 HydrophobicContact CD1-CE1 3.82Å; L562-Y635 HydrophobicContact CD2-CD1 4.22Å; L562-Y635 HydrophobicContact CD2-CE1 3.94Å; L562-F699 HydrophobicContact CB-CZ 4.43Å; L562-F699 HydrophobicContact CD1-CE1 4.36Å; L562-F699 HydrophobicContact CD1-CZ 4.21Å
563	K	94.5	Very high	93.3	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	15%	0.149	C	C	.	.	H	α-helix	trans	-57.4	-54.7	173.8	-177.9	-161.3	178.7	-166.6	0	109.7	L96 N565 A566 Q567 E573 A576 L580	L96-K563 HydrophobicContact CD2-CD 3.81Å; L96-K563 HydrophobicContact CD2-CG 4.48Å; L96-K563 PolarHBondContact O-NZ 3.14Å; K563-N565 VanDerWaalsContact C-N 3.33Å; K563-N565 PolarHBondContact O-N 3.41Å; K563-A566 WeakPolarHBondContact O-CB 3.45Å; K563-A566 PolarHBondContact O-N 2.87Å; K563-A566 VanDerWaalsContact O-N 3.1Å; K563-Q567 WeakPolarHBondContact O-CG 3.38Å; K563-Q567 PolarHBondContact O-N 3.28Å; K563-E573 IonicContact NZ-OE1 3.61Å; K563-E573 PolarHBondContact NZ-OE1 3.39Å; K563-A576 HydrophobicContact CG-CB 3.76Å; K563-L580 HydrophobicContact CB-CD1 3.95Å
564	D	92.6	Very high	92.9	Very high	6 Å²	6	26 Å²	26	3%	0.032	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-38	-175.9	-63	1.5	0	0	0	112.2	S99 K109 F561 A566 Q567 Q568 F695	S99-D564 PolarHBondContact OG-OD1 3.4Å; K109-D564 IonicContact NZ-OD2 2.84Å; K109-D564 PolarHBondContact NZ-OD2 3.47Å; F561-D564 PolarHBondContact O-N 2.8Å; D564-A566 VanDerWaalsContact C-N 3.35Å; D564-A566 PolarHBondContact O-N 2.98Å; D564-Q567 PolarHBondContact O-N 2.91Å; D564-Q568 PolarHBondContact O-N 3.44Å; D564-F695 HydrophobicContact CB-CE1 4.15Å; D564-F695 HydrophobicContact CB-CE2 3.81Å; D564-F695 HydrophobicContact CB-CZ 3.42Å; D564-F695 VanDerWaalsContact CB-CZ 3.42Å
565	N	94.3	Very high	92.8	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.037	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-41.3	173.6	-178	63.7	0	0	0	112.1	F561 K563 Q567 Q568 L569 F695 F699	F561-N565 VanDerWaalsContact O-CB 3.28Å; F561-N565 WeakPolarHBondContact O-CB 3.16Å; F561-N565 PolarHBondContact O-N 3.43Å; K563-N565 VanDerWaalsContact C-N 3.33Å; K563-N565 PolarHBondContact O-N 3.41Å; N565-Q567 VanDerWaalsContact C-N 3.33Å; N565-Q568 PolarHBondContact O-N 3.35Å; N565-L569 PolarHBondContact O-N 3.24Å; N565-L569 VanDerWaalsContact O-N 3.12Å; N565-F695 HydrophobicContact CB-CB 4.16Å; N565-F695 HydrophobicContact CB-CD2 3.88Å; N565-F695 HydrophobicContact CB-CG 4.09Å; N565-F699 HydrophobicContact CB-CE2 3.7Å; N565-F699 HydrophobicContact CB-CZ 4.16Å
566	A	96	Very high	92.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-64.8	-38.9	174.9	0	0	0	0	0	111.8	L562 K563 D564 L569 G570 A571 A576 L579 L632	L562-A566 WeakPolarHBondContact O-CB 3.46Å; L562-A566 PolarHBondContact O-N 3.29Å; K563-A566 WeakPolarHBondContact O-CB 3.45Å; K563-A566 PolarHBondContact O-N 2.87Å; K563-A566 VanDerWaalsContact O-N 3.1Å; D564-A566 VanDerWaalsContact C-N 3.35Å; D564-A566 PolarHBondContact O-N 2.98Å; A566-L569 PolarHBondContact O-N 3.23Å; A566-G570 PolarHBondContact O-N 3.26Å; A566-A571 HydrophobicContact CB-CB 4.05Å; A566-A571 WeakPolarHBondContact O-CB 3.48Å; A566-A571 PolarHBondContact O-N 3.44Å; A566-A576 HydrophobicContact CB-CB 3.91Å; A566-L579 HydrophobicContact CB-CD1 3.48Å; A566-L579 VanDerWaalsContact CB-CD1 3.48Å; A566-L632 HydrophobicContact CB-CD1 3.72Å
567	Q	93.1	Very high	92.8	Very high	53 Å²	53	27.6 Å²	27.6	25%	0.248	17%	0.171	C	C	.	.	H	α-helix	trans	-64.3	-39.7	174.2	-67.7	-175	-65.6	0	0	111.8	S99 K563 D564 N565 L569 G570 A576	S99-Q567 PolarHBondContact OG-OE1 2.89Å; K563-Q567 WeakPolarHBondContact O-CG 3.38Å; K563-Q567 PolarHBondContact O-N 3.28Å; D564-Q567 PolarHBondContact O-N 2.91Å; N565-Q567 VanDerWaalsContact C-N 3.33Å; Q567-L569 PolarHBondContact O-N 3.38Å; Q567-G570 WeakPolarHBondContact O-CA 3.43Å; Q567-G570 PolarHBondContact O-N 2.88Å; Q567-A576 HydrophobicContact CG-CB 3.81Å
568	Q	90.6	Very high	92.8	Very high	93 Å²	93	32.7 Å²	32.7	44%	0.435	19%	0.191	S	C	.	.	H	α-helix	trans	-62.4	-31	174.8	-172.6	171.4	20.3	0	0	112.3	D564 N565 G570 K693 F695	D564-Q568 PolarHBondContact O-N 3.44Å; N565-Q568 PolarHBondContact O-N 3.35Å; Q568-G570 PolarHBondContact O-N 3.34Å; Q568-K693 PolarHBondContact NE2-O 3.46Å; Q568-K693 VanDerWaalsContact NE2-O 3.11Å; Q568-F695 HydrophobicContact CB-CD2 4.48Å; Q568-F695 HydrophobicContact CB-CE2 4.4Å
569	L	92.7	Very high	92.9	Very high	81 Å²	81	32.7 Å²	32.7	42%	0.424	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	1	172.5	-68.6	170.4	0	0	0	113.8	N565 A566 Q567 L632	N565-L569 PolarHBondContact O-N 3.24Å; N565-L569 VanDerWaalsContact O-N 3.12Å; A566-L569 PolarHBondContact O-N 3.23Å; Q567-L569 PolarHBondContact O-N 3.38Å; L569-L632 HydrophobicContact CD1-CD1 4.03Å
570	G	91.3	Very high	92.9	Very high	66 Å²	66	32.7 Å²	32.7	68%	0.68	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.4	10.7	177.1	0	0	0	0	0	115.2	A566 Q567 Q568	A566-G570 PolarHBondContact O-N 3.26Å; Q567-G570 WeakPolarHBondContact O-CA 3.43Å; Q567-G570 PolarHBondContact O-N 2.88Å; Q568-G570 PolarHBondContact O-N 3.34Å
571	A	92.9	Very high	93.1	Very high	21 Å²	21	33.1 Å²	33.1	17%	0.174	20%	0.196	C	C	.	.			trans	-68.6	143.1	172.6	0	0	0	0	0	111	A566 A576 Y629	A566-A571 HydrophobicContact CB-CB 4.05Å; A566-A571 WeakPolarHBondContact O-CB 3.48Å; A566-A571 PolarHBondContact O-N 3.44Å; A571-A576 HydrophobicContact CB-CB 4.48Å; A571-Y629 HydrophobicContact CB-CD2 3.96Å; A571-Y629 HydrophobicContact CB-CE2 4.39Å
572	S	91.5	Very high	93.2	Very high	61 Å²	61	37.8 Å²	37.8	43%	0.427	21%	0.214	S	C	.	.			trans	-62.2	153.7	171.9	81.4	0	0	0	0	110.8	S574 S575 A576	S572-S574 VanDerWaalsContact C-N 3.27Å; S572-S574 PolarHBondContact O-N 3.16Å; S572-S575 PolarHBondContact O-N 3.15Å; S572-S575 VanDerWaalsContact O-N 3.17Å; S572-S575 WeakPolarHBondContact OG-CB 3.18Å; S572-S575 PolarHBondContact OG-N 3.37Å; S572-S575 VanDerWaalsContact OG-N 3.1Å; S572-S575 PolarHBondContact OG-OG 3.4Å; S572-A576 WeakPolarHBondContact O-CB 3.44Å; S572-A576 PolarHBondContact O-N 2.83Å
573	E	86.8	Confident	93.2	Very high	75 Å²	75	37.8 Å²	37.8	35%	0.35	21%	0.214	S	C	.	.	H	α-helix	trans	-57	-40.9	178	179.2	166.5	-156.4	0	0	113	K563 A576 S577	K563-E573 IonicContact NZ-OE1 3.61Å; K563-E573 PolarHBondContact NZ-OE1 3.39Å; E573-A576 PolarHBondContact O-N 2.81Å; E573-S577 PolarHBondContact O-N 3.41Å; E573-S577 VanDerWaalsContact O-N 3.08Å; E573-S577 PolarHBondContact O-OG 2.9Å
574	S	86.9	Confident	93.2	Very high	65 Å²	65	37.8 Å²	37.8	46%	0.455	21%	0.214	S	C	.	.	H	α-helix	trans	-65.3	-44.1	177.6	-52.7	0	0	0	0	111.4	S572 S577 Y578	S572-S574 VanDerWaalsContact C-N 3.27Å; S572-S574 PolarHBondContact O-N 3.16Å; S574-S577 PolarHBondContact O-N 3.02Å; S574-Y578 VanDerWaalsContact O-CD2 3.32Å; S574-Y578 WeakPolarHBondContact O-CD2 2.97Å; S574-Y578 PolarHBondContact O-N 3.23Å
575	S	92.1	Very high	93.3	Very high	39 Å²	39	38.8 Å²	38.8	27%	0.273	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-47.3	176.1	-55.6	0	0	0	0	111.5	S572 S577 Y578 Y629	S572-S575 PolarHBondContact O-N 3.15Å; S572-S575 VanDerWaalsContact O-N 3.17Å; S572-S575 WeakPolarHBondContact OG-CB 3.18Å; S572-S575 PolarHBondContact OG-N 3.37Å; S572-S575 VanDerWaalsContact OG-N 3.1Å; S572-S575 PolarHBondContact OG-OG 3.4Å; S575-S577 PolarHBondContact O-N 3.36Å; S575-Y578 WeakPolarHBondContact O-CB 3.43Å; S575-Y578 PolarHBondContact O-N 3.07Å; S575-Y629 PolarHBondContact O-OH 2.83Å
576	A	94	Very high	93.3	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-36.8	179.2	0	0	0	0	0	112.5	K563 A566 Q567 A571 S572 E573 Y578 L579	K563-A576 HydrophobicContact CG-CB 3.76Å; A566-A576 HydrophobicContact CB-CB 3.91Å; Q567-A576 HydrophobicContact CG-CB 3.81Å; A571-A576 HydrophobicContact CB-CB 4.48Å; S572-A576 WeakPolarHBondContact O-CB 3.44Å; S572-A576 PolarHBondContact O-N 2.83Å; E573-A576 PolarHBondContact O-N 2.81Å; A576-Y578 VanDerWaalsContact C-N 3.33Å; A576-Y578 PolarHBondContact O-N 2.73Å; A576-L579 WeakPolarHBondContact O-CB 3.27Å; A576-L579 PolarHBondContact O-N 2.99Å
577	S	92.6	Very high	93.2	Very high	1 Å²	1	39 Å²	39	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-68.5	-30.1	178.1	-54.2	0	0	0	0	112.9	P220 E573 S574 S575 L579 L580	P220-S577 VanDerWaalsContact CG-CB 3.48Å; P220-S577 WeakPolarHBondContact CG-OG 3.15Å; E573-S577 PolarHBondContact O-N 3.41Å; E573-S577 VanDerWaalsContact O-N 3.08Å; E573-S577 PolarHBondContact O-OG 2.9Å; S574-S577 PolarHBondContact O-N 3.02Å; S575-S577 PolarHBondContact O-N 3.36Å; S577-L579 PolarHBondContact O-N 3.11Å; S577-L580 PolarHBondContact O-N 2.81Å
578	Y	95.4	Very high	93.1	Very high	107 Å²	107	37.3 Å²	37.3	42%	0.42	22%	0.221	S	C	.	.	H	α-helix	trans	-64.4	-21.5	174.7	-66.7	-47.8	0	0	0	113.4	L217 S574 S575 A576 L580 A581 Y582	L217-Y578 HydrophobicContact CD2-CD1 3.64Å; L217-Y578 HydrophobicContact CD2-CE1 3.44Å; L217-Y578 VanDerWaalsContact CD2-CE1 3.44Å; S574-Y578 VanDerWaalsContact O-CD2 3.32Å; S574-Y578 WeakPolarHBondContact O-CD2 2.97Å; S574-Y578 PolarHBondContact O-N 3.23Å; S575-Y578 WeakPolarHBondContact O-CB 3.43Å; S575-Y578 PolarHBondContact O-N 3.07Å; A576-Y578 VanDerWaalsContact C-N 3.33Å; A576-Y578 PolarHBondContact O-N 2.73Å; Y578-L580 VanDerWaalsContact C-N 3.29Å; Y578-L580 PolarHBondContact O-N 2.98Å; Y578-A581 WeakPolarHBondContact O-CA 3.37Å; Y578-A581 WeakPolarHBondContact O-CB 3.32Å; Y578-A581 PolarHBondContact O-N 3Å; Y578-Y582 WeakPolarHBondContact O-CD2 3.48Å; Y578-Y582 PolarHBondContact O-N 3.5Å
579	L	97	Very high	93.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.4	-41.3	174.7	-63.9	176.5	0	0	0	111.8	L562 A566 A576 S577 A581 Y582 L583 Y629 L632 I633	L562-L579 HydrophobicContact CD1-CD1 4.43Å; L562-L579 HydrophobicContact CD2-CB 4Å; L562-L579 HydrophobicContact CG-CB 4.24Å; L562-L579 HydrophobicContact CG-CD1 4.04Å; A566-L579 HydrophobicContact CB-CD1 3.48Å; A566-L579 VanDerWaalsContact CB-CD1 3.48Å; A576-L579 WeakPolarHBondContact O-CB 3.27Å; A576-L579 PolarHBondContact O-N 2.99Å; S577-L579 PolarHBondContact O-N 3.11Å; L579-A581 VanDerWaalsContact C-N 3.31Å; L579-A581 PolarHBondContact O-N 3.17Å; L579-Y582 PolarHBondContact O-N 3.24Å; L579-L583 WeakPolarHBondContact O-CB 3.3Å; L579-L583 PolarHBondContact O-N 3.39Å; L579-Y629 HydrophobicContact CD1-CE2 4.05Å; L579-Y629 HydrophobicContact CD2-CD2 4.48Å; L579-Y629 HydrophobicContact CD2-CE2 3.75Å; L579-Y629 HydrophobicContact CG-CE2 3.86Å; L579-L632 HydrophobicContact CD1-CB 4Å; L579-L632 HydrophobicContact CD1-CD1 4.07Å; L579-L632 HydrophobicContact CD2-CB 3.89Å; L579-I633 HydrophobicContact CD2-CG1 3.94Å
580	L	94.2	Very high	93	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-69	-31.1	175.2	-73	90.6	0	0	0	111.9	L96 S216 Y559 K563 S577 Y578 L583 G584	L96-L580 HydrophobicContact CD2-CD1 3.91Å; L96-L580 HydrophobicContact CD2-CD2 4.2Å; S216-L580 WeakPolarHBondContact OG-CB 3.44Å; Y559-L580 WeakPolarHBondContact O-CD2 3.35Å; K563-L580 HydrophobicContact CB-CD1 3.95Å; S577-L580 PolarHBondContact O-N 2.81Å; Y578-L580 VanDerWaalsContact C-N 3.29Å; Y578-L580 PolarHBondContact O-N 2.98Å; L580-L583 PolarHBondContact O-N 2.85Å; L580-G584 PolarHBondContact O-N 2.97Å
581	A	95.6	Very high	92.8	Very high	13 Å²	13	30.4 Å²	30.4	11%	0.107	18%	0.175	C	C	.	.	H	α-helix	trans	-66.7	-44.9	172.7	0	0	0	0	0	111.8	V213 L217 Y578 L579 L583 G584 G585	V213-A581 HydrophobicContact CG1-CB 4.41Å; V213-A581 WeakPolarHBondContact CG2-O 3.38Å; L217-A581 HydrophobicContact CD2-CB 4.34Å; Y578-A581 WeakPolarHBondContact O-CA 3.37Å; Y578-A581 WeakPolarHBondContact O-CB 3.32Å; Y578-A581 PolarHBondContact O-N 3Å; L579-A581 VanDerWaalsContact C-N 3.31Å; L579-A581 PolarHBondContact O-N 3.17Å; A581-L583 VanDerWaalsContact C-N 3.3Å; A581-L583 PolarHBondContact O-N 3.21Å; A581-G584 PolarHBondContact O-N 3.08Å; A581-G585 PolarHBondContact O-N 3.41Å
582	Y	96.9	Very high	92.3	Very high	99 Å²	99	34.6 Å²	34.6	39%	0.388	19%	0.194	S	C	.	.	H	α-helix	trans	-61.3	-41.5	173.9	-64.5	-55.4	0	0	0	111.6	Y578 L579 S586 I633	Y578-Y582 WeakPolarHBondContact O-CD2 3.48Å; Y578-Y582 PolarHBondContact O-N 3.5Å; L579-Y582 PolarHBondContact O-N 3.24Å; Y582-S586 VanDerWaalsContact O-CB 3.27Å; Y582-S586 WeakPolarHBondContact O-CB 3.31Å; Y582-S586 PolarHBondContact O-N 2.89Å; Y582-S586 PolarHBondContact O-OG 2.93Å; Y582-I633 HydrophobicContact CD2-CG1 4.3Å; Y582-I633 HydrophobicContact CD2-CG2 3.87Å; Y582-I633 HydrophobicContact CE2-CD1 4.25Å; Y582-I633 HydrophobicContact CE2-CG1 4.07Å; Y582-I633 HydrophobicContact CE2-CG2 3.98Å; Y582-I633 HydrophobicContact CG-CG2 4.2Å
583	L	95.9	Very high	92	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-47.6	176.7	-166.2	163.8	0	0	0	111.5	P558 Y559 L562 L579 L580 A581 S586 N587 Y639	P558-L583 HydrophobicContact CB-CD1 3.88Å; Y559-L583 HydrophobicContact CD1-CD2 4.19Å; Y559-L583 HydrophobicContact CE1-CD2 3.37Å; Y559-L583 HydrophobicContact CE2-CD2 4.07Å; Y559-L583 VanDerWaalsContact OH-CD2 3.25Å; Y559-L583 WeakPolarHBondContact OH-CD2 3.5Å; L562-L583 HydrophobicContact CD2-CD1 4.3Å; L579-L583 WeakPolarHBondContact O-CB 3.3Å; L579-L583 PolarHBondContact O-N 3.39Å; L580-L583 PolarHBondContact O-N 2.85Å; A581-L583 VanDerWaalsContact C-N 3.3Å; A581-L583 PolarHBondContact O-N 3.21Å; L583-S586 WeakPolarHBondContact CA-OG 3.47Å; L583-S586 PolarHBondContact O-OG 3.34Å; L583-N587 VanDerWaalsContact O-CB 3.25Å; L583-N587 WeakPolarHBondContact O-CB 3.49Å; L583-N587 PolarHBondContact O-N 3.49Å; L583-Y639 HydrophobicContact CD1-CD1 3.81Å; L583-Y639 HydrophobicContact CD1-CE1 4.23Å; L583-Y639 HydrophobicContact CD2-CD1 4.44Å; L583-Y639 HydrophobicContact CG-CD1 4.08Å
584	G	94.4	Very high	91.9	Very high	1 Å²	1	34 Å²	34	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-65.1	-42.9	177.8	0	0	0	0	0	113.4	G209 L580 A581 N587 T588	G209-G584 CarbonylContact C-O 3.6Å; G209-G584 WeakPolarHBondContact CA-O 3.1Å; G209-G584 CarbonylContact O-C 3.23Å; G209-G584 WeakPolarHBondContact O-CA 3.39Å; L580-G584 PolarHBondContact O-N 2.97Å; A581-G584 PolarHBondContact O-N 3.08Å; G584-N587 PolarHBondContact O-N 3.32Å; G584-T588 PolarHBondContact O-N 2.95Å; G584-T588 PolarHBondContact O-OG1 3.24Å
585	G	94.7	Very high	91.3	Very high	27 Å²	27	32 Å²	32	28%	0.278	17%	0.172	S	C	.	.	H	α-helix	trans	-64	-46.1	178	0	0	0	0	0	111.9	V213 A581 T588 V589	V213-G585 VanDerWaalsContact CG2-N 3.26Å; A581-G585 PolarHBondContact O-N 3.41Å; G585-T588 WeakPolarHBondContact O-CB 3.45Å; G585-T588 PolarHBondContact O-N 3.49Å; G585-V589 PolarHBondContact O-N 3.46Å; G585-V589 VanDerWaalsContact O-N 3.17Å
586	S	95.2	Very high	90.7	Very high	13 Å²	13	37 Å²	37	9%	0.091	19%	0.185	C	C	.	.	H	α-helix	trans	-66.7	-35.4	175.3	57	0	0	0	0	112.8	Y582 L583 T588 V589 G590 S636 C637 G640 L641	Y582-S586 VanDerWaalsContact O-CB 3.27Å; Y582-S586 WeakPolarHBondContact O-CB 3.31Å; Y582-S586 PolarHBondContact O-N 2.89Å; Y582-S586 PolarHBondContact O-OG 2.93Å; L583-S586 WeakPolarHBondContact CA-OG 3.47Å; L583-S586 PolarHBondContact O-OG 3.34Å; S586-T588 VanDerWaalsContact C-N 3.32Å; S586-T588 PolarHBondContact O-N 3.08Å; S586-V589 PolarHBondContact O-N 2.92Å; S586-G590 PolarHBondContact O-N 3.39Å; S586-S636 PolarHBondContact OG-O 2.96Å; S586-C637 WeakPolarHBondContact CB-O 3.37Å; S586-C637 PolarHBondContact OG-O 3.43Å; S586-G640 WeakPolarHBondContact OG-CA 3.48Å; S586-L641 WeakPolarHBondContact O-CD2 3.25Å
587	N	92.3	Very high	90.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.4	-42.5	172.4	-169.8	-81.6	0	0	0	112	L583 G584 G590 R591 G640 I643 S644	L583-N587 VanDerWaalsContact O-CB 3.25Å; L583-N587 WeakPolarHBondContact O-CB 3.49Å; L583-N587 PolarHBondContact O-N 3.49Å; G584-N587 PolarHBondContact O-N 3.32Å; N587-G590 PolarHBondContact O-N 2.87Å; N587-R591 WeakPolarHBondContact O-CG 3.46Å; N587-R591 PolarHBondContact O-N 3.25Å; N587-R591 PolarHBondContact OD1-NE 3.24Å; N587-G640 VanDerWaalsContact CA-O 3.25Å; N587-G640 WeakPolarHBondContact CA-O 3.42Å; N587-I643 WeakPolarHBondContact ND2-CG2 3.37Å; N587-S644 WeakPolarHBondContact O-CB 3.2Å
588	T	91.4	Very high	89.3	Confident	18 Å²	18	39.1 Å²	39.1	11%	0.11	20%	0.197	C	C	.	.	H	α-helix	trans	-60	-50.7	177.2	-52.3	0	0	0	0	111.1	A206 G209 I210 G584 G585 S586 G590 R591 I592	A206-T588 HydrophobicContact CB-CG2 4.03Å; G209-T588 VanDerWaalsContact C-OG1 3.28Å; G209-T588 WeakPolarHBondContact CA-OG1 3.36Å; I210-T588 HydrophobicContact CD1-CG2 4.02Å; I210-T588 HydrophobicContact CG1-CG2 3.88Å; I210-T588 PolarHBondContact N-OG1 3.48Å; G584-T588 PolarHBondContact O-N 2.95Å; G584-T588 PolarHBondContact O-OG1 3.24Å; G585-T588 WeakPolarHBondContact O-CB 3.45Å; G585-T588 PolarHBondContact O-N 3.49Å; S586-T588 VanDerWaalsContact C-N 3.32Å; S586-T588 PolarHBondContact O-N 3.08Å; T588-G590 VanDerWaalsContact C-N 3.31Å; T588-G590 PolarHBondContact O-N 2.9Å; T588-R591 PolarHBondContact O-N 2.52Å; T588-I592 WeakPolarHBondContact O-CG1 3.22Å; T588-I592 PolarHBondContact O-N 3.23Å
589	V	91.7	Very high	88.3	Confident	90 Å²	90	36.3 Å²	36.3	55%	0.545	19%	0.19	S	C	.	.	H	α-helix	trans	-60.3	-43.6	176.6	174.9	0	0	0	0	110.8	G585 S586 R591 I592 F593 L641	G585-V589 PolarHBondContact O-N 3.46Å; G585-V589 VanDerWaalsContact O-N 3.17Å; S586-V589 PolarHBondContact O-N 2.92Å; V589-R591 PolarHBondContact O-N 3.03Å; V589-I592 PolarHBondContact O-N 3.05Å; V589-F593 WeakPolarHBondContact O-CB 2.96Å; V589-F593 PolarHBondContact O-N 3.39Å; V589-L641 HydrophobicContact CB-CD2 4.24Å; V589-L641 HydrophobicContact CG1-CD2 4.06Å
590	G	90	Very high	87.5	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-42.1	178.1	0	0	0	0	0	112.7	S586 N587 T588 I592 F593 T594 S644	S586-G590 PolarHBondContact O-N 3.39Å; N587-G590 PolarHBondContact O-N 2.87Å; T588-G590 VanDerWaalsContact C-N 3.31Å; T588-G590 PolarHBondContact O-N 2.9Å; G590-I592 VanDerWaalsContact C-N 3.33Å; G590-I592 PolarHBondContact O-N 2.86Å; G590-F593 PolarHBondContact O-N 3.1Å; G590-T594 VanDerWaalsContact O-CB 3.3Å; G590-T594 WeakPolarHBondContact O-CB 3.08Å; G590-T594 WeakPolarHBondContact O-CG2 3.32Å; G590-T594 PolarHBondContact O-N 3.35Å; G590-T594 PolarHBondContact O-OG1 3.43Å; G590-S644 WeakPolarHBondContact CA-OG 3.19Å; G590-S644 PolarHBondContact O-OG 2.91Å
591	R	87.1	Confident	86.7	Confident	3 Å²	3	44.7 Å²	44.7	1%	0.011	24%	0.24	C	C	.	.	H	α-helix	trans	-62.9	-41.7	179.8	-75.7	-172.2	-169.3	-154.7	-3.8	111.1	M205 S208 N587 T588 V589 T594 G595 S644	M205-R591 WeakPolarHBondContact O-CD 3.49Å; M205-R591 PolarHBondContact O-NH1 3.29Å; S208-R591 PolarHBondContact OG-NH1 3.22Å; N587-R591 WeakPolarHBondContact O-CG 3.46Å; N587-R591 PolarHBondContact O-N 3.25Å; N587-R591 PolarHBondContact OD1-NE 3.24Å; T588-R591 PolarHBondContact O-N 2.52Å; V589-R591 PolarHBondContact O-N 3.03Å; R591-T594 PolarHBondContact O-OG1 2.93Å; R591-G595 PolarHBondContact O-N 2.91Å; R591-S644 VanDerWaalsContact N-CB 3.33Å; R591-S644 PolarHBondContact N-OG 3.34Å
592	I	83	Confident	86.2	Confident	109 Å²	109	52.4 Å²	52.4	56%	0.559	27%	0.266	S	S	*	.	H	α-helix	trans	-66.2	-48.1	177.2	-61.8	168.7	0	0	0	110.2	T588 V589 G590 G595 W596	T588-I592 WeakPolarHBondContact O-CG1 3.22Å; T588-I592 PolarHBondContact O-N 3.23Å; V589-I592 PolarHBondContact O-N 3.05Å; G590-I592 VanDerWaalsContact C-N 3.33Å; G590-I592 PolarHBondContact O-N 2.86Å; I592-G595 PolarHBondContact O-N 3.42Å; I592-W596 PolarHBondContact O-N 2.88Å
593	F	85.5	Confident	85.4	Confident	114 Å²	114	48.3 Å²	48.3	50%	0.5	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-46.1	179.8	176.9	-103.8	0	0	0	112.5	V589 G590 W596 L597	V589-F593 WeakPolarHBondContact O-CB 2.96Å; V589-F593 PolarHBondContact O-N 3.39Å; G590-F593 PolarHBondContact O-N 3.1Å; F593-W596 HydrophobicContact CD2-CE3 4.49Å; F593-W596 HydrophobicContact CE2-CE3 4.42Å; F593-W596 HydrophobicContact CE2-CZ3 4.32Å; F593-W596 PolarHBondContact O-N 3.39Å; F593-L597 HydrophobicContact CE1-CD2 4.19Å; F593-L597 VanDerWaalsContact O-CB 3.23Å; F593-L597 WeakPolarHBondContact O-CB 3.34Å; F593-L597 PolarHBondContact O-N 3.39Å
594	T	83.4	Confident	85	Confident	11 Å²	11	52.1 Å²	52.1	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-70.6	-34.2	-178.9	54.6	0	0	0	0	112.3	G590 R591 L597 S598 A645	G590-T594 VanDerWaalsContact O-CB 3.3Å; G590-T594 WeakPolarHBondContact O-CB 3.08Å; G590-T594 WeakPolarHBondContact O-CG2 3.32Å; G590-T594 PolarHBondContact O-N 3.35Å; G590-T594 PolarHBondContact O-OG1 3.43Å; R591-T594 PolarHBondContact O-OG1 2.93Å; T594-L597 PolarHBondContact O-N 3.16Å; T594-S598 WeakPolarHBondContact O-CB 3.47Å; T594-S598 PolarHBondContact O-N 2.97Å; T594-S598 PolarHBondContact O-OG 3.06Å; T594-A645 HydrophobicContact CG2-CB 3.73Å
595	G	75.2	Confident	84.5	Confident	21 Å²	21	52.2 Å²	52.2	22%	0.216	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-49.8	170.7	0	0	0	0	0	112.2	R591 I592 L597 S598 D599	R591-G595 PolarHBondContact O-N 2.91Å; I592-G595 PolarHBondContact O-N 3.42Å; G595-L597 VanDerWaalsContact C-N 3.3Å; G595-L597 PolarHBondContact O-N 2.83Å; G595-S598 PolarHBondContact O-N 3.49Å; G595-S598 PolarHBondContact O-OG 2.98Å; G595-D599 PolarHBondContact O-N 3.31Å
596	W	79.9	Confident	84.2	Confident	145 Å²	145	51.5 Å²	51.5	55%	0.549	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-40.1	175.1	172.6	76.7	0	0	0	112.5	I592 F593 D599 Q600	I592-W596 PolarHBondContact O-N 2.88Å; F593-W596 HydrophobicContact CD2-CE3 4.49Å; F593-W596 HydrophobicContact CE2-CE3 4.42Å; F593-W596 HydrophobicContact CE2-CZ3 4.32Å; F593-W596 PolarHBondContact O-N 3.39Å; W596-D599 PolarHBondContact O-N 2.95Å; W596-Q600 WeakPolarHBondContact O-CG 3.5Å; W596-Q600 PolarHBondContact O-NE2 2.96Å; W596-Q600 VanDerWaalsContact O-NE2 3.13Å
597	L	81.2	Confident	84	Confident	30 Å²	30	56.4 Å²	56.4	16%	0.157	28%	0.281	C	S	.	.	H	α-helix	trans	-65.1	-39.7	177.8	-175.7	65.6	0	0	0	111.6	F593 T594 G595 D599 Q600 W602 A603 I608	F593-L597 HydrophobicContact CE1-CD2 4.19Å; F593-L597 VanDerWaalsContact O-CB 3.23Å; F593-L597 WeakPolarHBondContact O-CB 3.34Å; F593-L597 PolarHBondContact O-N 3.39Å; T594-L597 PolarHBondContact O-N 3.16Å; G595-L597 VanDerWaalsContact C-N 3.3Å; G595-L597 PolarHBondContact O-N 2.83Å; L597-D599 VanDerWaalsContact C-N 3.29Å; L597-D599 PolarHBondContact O-N 3.18Å; L597-Q600 PolarHBondContact O-N 3.27Å; L597-W602 HydrophobicContact CD1-CH2 3.36Å; L597-W602 HydrophobicContact CD1-CZ2 4.07Å; L597-W602 HydrophobicContact CD1-CZ3 4.03Å; L597-A603 WeakPolarHBondContact O-CB 3.5Å; L597-I608 HydrophobicContact CD2-CD1 3.9Å; L597-I608 HydrophobicContact CD2-CG1 4.19Å; L597-I608 HydrophobicContact CD2-CG2 4.42Å; L597-I608 HydrophobicContact CG-CD1 3.8Å
598	S	75.7	Confident	83.8	Confident	15 Å²	15	57.9 Å²	57.9	11%	0.105	29%	0.289	C	S	.	.	H	α-helix	trans	-70.6	-23.8	179.4	59	0	0	0	0	114	T594 G595 Q600	T594-S598 WeakPolarHBondContact O-CB 3.47Å; T594-S598 PolarHBondContact O-N 2.97Å; T594-S598 PolarHBondContact O-OG 3.06Å; G595-S598 PolarHBondContact O-N 3.49Å; G595-S598 PolarHBondContact O-OG 2.98Å; S598-Q600 PolarHBondContact O-N 3.31Å
599	D	73.2	Confident	83.8	Confident	49 Å²	49	57 Å²	57	26%	0.262	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-8.5	177.6	-67.8	-15.9	0	0	0	112.4	G595 W596 L597	G595-D599 PolarHBondContact O-N 3.31Å; W596-D599 PolarHBondContact O-N 2.95Å; L597-D599 VanDerWaalsContact C-N 3.29Å; L597-D599 PolarHBondContact O-N 3.18Å
600	Q	81.9	Confident	83.8	Confident	50 Å²	50	52.7 Å²	52.7	23%	0.234	26%	0.257	C	S	.	.	S	Bend	trans	-76.7	137.6	179.3	-57.9	-52.5	-52.9	0	0	111.8	W596 L597 S598 W602 A603	W596-Q600 WeakPolarHBondContact O-CG 3.5Å; W596-Q600 PolarHBondContact O-NE2 2.96Å; W596-Q600 VanDerWaalsContact O-NE2 3.13Å; L597-Q600 PolarHBondContact O-N 3.27Å; S598-Q600 PolarHBondContact O-N 3.31Å; Q600-W602 VanDerWaalsContact C-N 3.26Å; Q600-W602 HydrophobicContact CB-CD2 4.21Å; Q600-W602 HydrophobicContact CB-CG 4.43Å; Q600-W602 HydrophobicContact CB-CZ2 4.03Å; Q600-W602 HydrophobicContact CG-CZ2 3.97Å; Q600-W602 PolarHBondContact O-N 3.37Å; Q600-A603 HydrophobicContact CB-CB 3.99Å; Q600-A603 WeakPolarHBondContact O-CB 3.35Å; Q600-A603 PolarHBondContact O-N 3.33Å
601	P	77.1	Confident	84	Confident	129 Å²	129	57.3 Å²	57.3	84%	0.838	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.3	-174.6	26.4	-35.2	0	0	0	113.9
602	W	83.4	Confident	84.4	Confident	175 Å²	175	57.8 Å²	57.8	66%	0.663	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-12.5	177.1	54.8	-98.1	0	0	0	112.9	L597 Q600	L597-W602 HydrophobicContact CD1-CH2 3.36Å; L597-W602 HydrophobicContact CD1-CZ2 4.07Å; L597-W602 HydrophobicContact CD1-CZ3 4.03Å; Q600-W602 VanDerWaalsContact C-N 3.26Å; Q600-W602 HydrophobicContact CB-CD2 4.21Å; Q600-W602 HydrophobicContact CB-CG 4.43Å; Q600-W602 HydrophobicContact CB-CZ2 4.03Å; Q600-W602 HydrophobicContact CG-CZ2 3.97Å; Q600-W602 PolarHBondContact O-N 3.37Å
603	A	81.1	Confident	84.9	Confident	14 Å²	14	52.6 Å²	52.6	12%	0.116	26%	0.258	C	S	.	.			trans	-82.8	121.8	-172.8	0	0	0	0	0	111.1	L597 Q600 V605 I608	L597-A603 WeakPolarHBondContact O-CB 3.5Å; Q600-A603 HydrophobicContact CB-CB 3.99Å; Q600-A603 WeakPolarHBondContact O-CB 3.35Å; Q600-A603 PolarHBondContact O-N 3.33Å; A603-V605 PolarHBondContact O-N 3.16Å; A603-I608 HydrophobicContact CB-CD1 3.81Å
604	N	86.5	Confident	85.5	Confident	79 Å²	79	48.5 Å²	48.5	42%	0.422	24%	0.242	S	C	.	.			trans	-87.3	102.1	173.6	-169.9	-49.5	0	0	0	110.4	L606 Y607 I608	N604-L606 VanDerWaalsContact C-N 3.26Å; N604-L606 PolarHBondContact O-N 3.37Å; N604-L606 WeakPolarHBondContact OD1-CB 3.49Å; N604-L606 PolarHBondContact OD1-N 3.12Å; N604-L606 VanDerWaalsContact OD1-N 3.13Å; N604-Y607 HydrophobicContact CB-CD2 3.7Å; N604-Y607 PolarHBondContact O-N 3.05Å; N604-Y607 VanDerWaalsContact O-N 3.08Å; N604-Y607 PolarHBondContact OD1-N 3.21Å; N604-I608 WeakPolarHBondContact O-CG1 3.24Å; N604-I608 PolarHBondContact O-N 2.76Å
605	V	85.3	Confident	86.1	Confident	4 Å²	4	50.8 Å²	50.8	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-49.4	-42	179.6	177.4	0	0	0	0	112.6	A603 I608 N609 V649 I652 L653	A603-V605 PolarHBondContact O-N 3.16Å; V605-I608 PolarHBondContact O-N 3.36Å; V605-N609 PolarHBondContact O-N 3.36Å; V605-V649 HydrophobicContact CB-CG1 4.35Å; V605-V649 HydrophobicContact CG1-CG1 3.35Å; V605-V649 WeakPolarHBondContact O-CG1 3.14Å; V605-I652 HydrophobicContact CG1-CB 4.24Å; V605-I652 HydrophobicContact CG1-CG2 3.92Å; V605-I652 HydrophobicContact CG2-CG2 4.45Å; V605-L653 HydrophobicContact CG1-CB 4.46Å
606	L	87.8	Confident	87.1	Confident	11 Å²	11	49.8 Å²	49.8	6%	0.058	25%	0.246	C	C	.	.	H	α-helix	trans	-64.2	-47.3	178.5	175.8	65.5	0	0	0	111.6	N604 I608 N609 N610 L653 L716 A717	N604-L606 VanDerWaalsContact C-N 3.26Å; N604-L606 PolarHBondContact O-N 3.37Å; N604-L606 WeakPolarHBondContact OD1-CB 3.49Å; N604-L606 PolarHBondContact OD1-N 3.12Å; N604-L606 VanDerWaalsContact OD1-N 3.13Å; L606-I608 VanDerWaalsContact C-N 3.34Å; L606-N609 PolarHBondContact O-N 3.21Å; L606-N610 WeakPolarHBondContact CD1-ND2 3.31Å; L606-N610 WeakPolarHBondContact O-CB 3.24Å; L606-N610 PolarHBondContact O-N 2.78Å; L606-N610 PolarHBondContact O-ND2 3.4Å; L606-N610 PolarHBondContact O-OD1 3.17Å; L606-L653 HydrophobicContact CB-CD1 3.87Å; L606-L653 HydrophobicContact CD1-CD1 3.64Å; L606-L653 HydrophobicContact CD1-CD2 3.84Å; L606-L653 HydrophobicContact CD1-CG 4.39Å; L606-L653 HydrophobicContact CG-CD1 4.34Å; L606-L716 HydrophobicContact CD1-CB 4.26Å; L606-L716 HydrophobicContact CD1-CD2 3.98Å; L606-L716 HydrophobicContact CD2-CB 4.47Å; L606-A717 HydrophobicContact CD2-CB 3.62Å
607	Y	90.6	Very high	88	Confident	117 Å²	117	42.9 Å²	42.9	46%	0.459	22%	0.219	S	C	.	.	H	α-helix	trans	-66.9	-36.4	178.7	-72	-61.8	0	0	0	111.9	N604 N610 I611 F714	N604-Y607 HydrophobicContact CB-CD2 3.7Å; N604-Y607 PolarHBondContact O-N 3.05Å; N604-Y607 VanDerWaalsContact O-N 3.08Å; N604-Y607 PolarHBondContact OD1-N 3.21Å; Y607-N610 PolarHBondContact O-N 3.04Å; Y607-I611 VanDerWaalsContact O-CB 3.28Å; Y607-I611 WeakPolarHBondContact O-CB 3.42Å; Y607-I611 WeakPolarHBondContact O-CG1 3.38Å; Y607-I611 PolarHBondContact O-N 3.29Å; Y607-F714 HydrophobicContact CD1-CD1 4.09Å; Y607-F714 AromaticContact CD1-CE1 3.84Å; Y607-F714 HydrophobicContact CD1-CE1 3.84Å; Y607-F714 AromaticContact CE1-CD1 3.9Å; Y607-F714 HydrophobicContact CE1-CD1 3.9Å; Y607-F714 HydrophobicContact CE1-CE1 4.03Å
608	I	89.5	Confident	88.8	Confident	30 Å²	30	45.3 Å²	45.3	15%	0.154	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-50.6	175.2	-68.4	165.9	0	0	0	110.6	L597 A603 N604 V605 L606 N610 S612 A645 V649	L597-I608 HydrophobicContact CD2-CD1 3.9Å; L597-I608 HydrophobicContact CD2-CG1 4.19Å; L597-I608 HydrophobicContact CD2-CG2 4.42Å; L597-I608 HydrophobicContact CG-CD1 3.8Å; A603-I608 HydrophobicContact CB-CD1 3.81Å; N604-I608 WeakPolarHBondContact O-CG1 3.24Å; N604-I608 PolarHBondContact O-N 2.76Å; V605-I608 PolarHBondContact O-N 3.36Å; L606-I608 VanDerWaalsContact C-N 3.34Å; I608-N610 VanDerWaalsContact C-N 3.33Å; I608-N610 PolarHBondContact O-N 3.43Å; I608-S612 VanDerWaalsContact O-CB 3.25Å; I608-S612 WeakPolarHBondContact O-CB 3.46Å; I608-S612 PolarHBondContact O-N 3.01Å; I608-S612 PolarHBondContact O-OG 3.33Å; I608-A645 HydrophobicContact CG2-CB 4.44Å; I608-V649 HydrophobicContact CG2-CG2 4.25Å
609	N	90.5	Very high	89.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-37.9	176.9	169.1	86.1	0	0	0	112.5	V605 L606 S612 L613 V649 R650	V605-N609 PolarHBondContact O-N 3.36Å; L606-N609 PolarHBondContact O-N 3.21Å; N609-S612 PolarHBondContact O-OG 2.96Å; N609-L613 WeakPolarHBondContact O-CD1 3.31Å; N609-L613 VanDerWaalsContact O-CG 3.26Å; N609-L613 WeakPolarHBondContact O-CG 3.25Å; N609-L613 PolarHBondContact O-N 3.42Å; N609-V649 HydrophobicContact CB-CB 4.27Å; N609-V649 HydrophobicContact CB-CG1 3.83Å; N609-R650 PolarHBondContact OD1-NE 3.29Å
610	N	92.7	Very high	91	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-77.1	-42.5	-176.2	-63.9	-6.7	0	0	0	112	L606 Y607 I608 S612 L613 V614 C713 F714	L606-N610 WeakPolarHBondContact CD1-ND2 3.31Å; L606-N610 WeakPolarHBondContact O-CB 3.24Å; L606-N610 PolarHBondContact O-N 2.78Å; L606-N610 PolarHBondContact O-ND2 3.4Å; L606-N610 PolarHBondContact O-OD1 3.17Å; Y607-N610 PolarHBondContact O-N 3.04Å; I608-N610 VanDerWaalsContact C-N 3.33Å; I608-N610 PolarHBondContact O-N 3.43Å; N610-S612 VanDerWaalsContact C-N 3.28Å; N610-S612 PolarHBondContact O-N 3.28Å; N610-L613 PolarHBondContact O-N 2.83Å; N610-V614 WeakPolarHBondContact O-CB 3.25Å; N610-V614 VanDerWaalsContact O-CG2 3.31Å; N610-V614 WeakPolarHBondContact O-CG2 3.26Å; N610-V614 PolarHBondContact O-N 3.25Å; N610-C713 PolarHBondContact ND2-O 3.42Å; N610-C713 VanDerWaalsContact ND2-O 3.09Å; N610-C713 WeakPolarHBondContact OD1-CB 3.39Å; N610-F714 HydrophobicContact CB-CD2 4.46Å; N610-F714 HydrophobicContact CB-CE1 4.17Å; N610-F714 HydrophobicContact CB-CE2 4.06Å; N610-F714 HydrophobicContact CB-CZ 3.91Å; N610-F714 PolarHBondContact ND2-N 3.26Å
611	I	94	Very high	91.8	Very high	98 Å²	98	42.8 Å²	42.8	50%	0.503	22%	0.221	S	C	.	.	H	α-helix	trans	-62.6	-39.8	175.8	-69.3	167.9	0	0	0	109.9	Y607 V614 T615	Y607-I611 VanDerWaalsContact O-CB 3.28Å; Y607-I611 WeakPolarHBondContact O-CB 3.42Å; Y607-I611 WeakPolarHBondContact O-CG1 3.38Å; Y607-I611 PolarHBondContact O-N 3.29Å; I611-V614 PolarHBondContact O-N 3.33Å; I611-T615 VanDerWaalsContact O-CB 3.29Å; I611-T615 WeakPolarHBondContact O-CB 3.31Å; I611-T615 PolarHBondContact O-N 3.46Å; I611-T615 PolarHBondContact O-OG1 3.28Å
612	S	93.8	Very high	92.7	Very high	12 Å²	12	40.7 Å²	40.7	8%	0.084	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-47.3	178.6	71.4	0	0	0	0	111.9	I608 N609 N610 T615 S616 S642 A645	I608-S612 VanDerWaalsContact O-CB 3.25Å; I608-S612 WeakPolarHBondContact O-CB 3.46Å; I608-S612 PolarHBondContact O-N 3.01Å; I608-S612 PolarHBondContact O-OG 3.33Å; N609-S612 PolarHBondContact O-OG 2.96Å; N610-S612 VanDerWaalsContact C-N 3.28Å; N610-S612 PolarHBondContact O-N 3.28Å; S612-T615 PolarHBondContact O-N 3Å; S612-S616 WeakPolarHBondContact O-CB 3.36Å; S612-S616 PolarHBondContact O-N 2.95Å; S612-S616 PolarHBondContact O-OG 3.1Å; S612-S642 WeakPolarHBondContact CB-O 3.21Å; S612-A645 WeakPolarHBondContact OG-CB 3.25Å
613	L	95.3	Very high	93.4	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-63.2	-45.1	176	-69.9	163	0	0	0	112.4	N609 N610 T615 S616 G617 I643 F646 V706	N609-L613 WeakPolarHBondContact O-CD1 3.31Å; N609-L613 VanDerWaalsContact O-CG 3.26Å; N609-L613 WeakPolarHBondContact O-CG 3.25Å; N609-L613 PolarHBondContact O-N 3.42Å; N610-L613 PolarHBondContact O-N 2.83Å; L613-T615 VanDerWaalsContact C-N 3.28Å; L613-T615 PolarHBondContact O-N 2.88Å; L613-S616 PolarHBondContact O-N 2.96Å; L613-G617 PolarHBondContact O-N 3.39Å; L613-I643 HydrophobicContact CD2-CD1 4.48Å; L613-F646 HydrophobicContact CD2-CB 4.02Å; L613-F646 HydrophobicContact CD2-CD2 3.8Å; L613-F646 HydrophobicContact CD2-CG 4.02Å; L613-V706 HydrophobicContact CB-CG1 4.43Å; L613-V706 HydrophobicContact CD2-CG1 4.06Å; L613-V706 WeakPolarHBondContact O-CG1 3.34Å
614	V	97.1	Very high	94.1	Very high	28 Å²	28	33.1 Å²	33.1	17%	0.17	18%	0.175	C	C	.	.	H	α-helix	trans	-58.9	-44.2	176.3	166.5	0	0	0	0	110.4	N610 I611 G617 L618 L707 L711 F714	N610-V614 WeakPolarHBondContact O-CB 3.25Å; N610-V614 VanDerWaalsContact O-CG2 3.31Å; N610-V614 WeakPolarHBondContact O-CG2 3.26Å; N610-V614 PolarHBondContact O-N 3.25Å; I611-V614 PolarHBondContact O-N 3.33Å; V614-G617 PolarHBondContact O-N 3.43Å; V614-L618 HydrophobicContact CG1-CD1 4.02Å; V614-L618 WeakPolarHBondContact O-CB 3.33Å; V614-L618 VanDerWaalsContact O-CG 3.31Å; V614-L618 WeakPolarHBondContact O-CG 3.48Å; V614-L618 PolarHBondContact O-N 3.45Å; V614-L707 HydrophobicContact CB-CD1 4.11Å; V614-L707 HydrophobicContact CG1-CD1 3.72Å; V614-L707 HydrophobicContact CG2-CD1 4.22Å; V614-L711 HydrophobicContact CG2-CD2 4.17Å; V614-L711 HydrophobicContact CG2-CG 4.25Å; V614-F714 HydrophobicContact CG2-CE2 4.1Å
615	T	96.7	Very high	94.5	Very high	58 Å²	58	35.8 Å²	35.8	36%	0.356	19%	0.188	S	C	.	.	H	α-helix	trans	-64.8	-47.3	178.2	-55.2	0	0	0	0	111.4	I611 S612 L613 G617 L618 L619	I611-T615 VanDerWaalsContact O-CB 3.29Å; I611-T615 WeakPolarHBondContact O-CB 3.31Å; I611-T615 PolarHBondContact O-N 3.46Å; I611-T615 PolarHBondContact O-OG1 3.28Å; S612-T615 PolarHBondContact O-N 3Å; L613-T615 VanDerWaalsContact C-N 3.28Å; L613-T615 PolarHBondContact O-N 2.88Å; T615-G617 PolarHBondContact O-N 2.85Å; T615-L618 PolarHBondContact O-N 2.92Å; T615-L619 HydrophobicContact CG2-CD1 4Å; T615-L619 HydrophobicContact CG2-CG 4.42Å; T615-L619 WeakPolarHBondContact O-CB 3.21Å; T615-L619 VanDerWaalsContact O-CG 3.22Å; T615-L619 WeakPolarHBondContact O-CG 3.25Å; T615-L619 PolarHBondContact O-N 2.68Å
616	S	96.6	Very high	95	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-44.9	177.3	-58.9	0	0	0	0	111.9	S612 L613 L619 T620 S642 I643	S612-S616 WeakPolarHBondContact O-CB 3.36Å; S612-S616 PolarHBondContact O-N 2.95Å; S612-S616 PolarHBondContact O-OG 3.1Å; L613-S616 PolarHBondContact O-N 2.96Å; S616-L619 PolarHBondContact O-N 2.97Å; S616-T620 PolarHBondContact O-N 3.1Å; S616-T620 PolarHBondContact O-OG1 3.5Å; S616-T620 VanDerWaalsContact O-OG1 3.06Å; S616-S642 VanDerWaalsContact OG-CB 3.22Å; S616-S642 WeakPolarHBondContact OG-CB 3.43Å; S616-S642 PolarHBondContact OG-OG 3.1Å; S616-I643 WeakPolarHBondContact OG-CA 3.38Å; S616-I643 PolarHBondContact OG-N 3.2Å; S616-I643 VanDerWaalsContact OG-N 3.17Å
617	G	98.2	Very high	95.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-43.4	178.5	0	0	0	0	0	112.8	L613 V614 T615 T620 S621 G703	L613-G617 PolarHBondContact O-N 3.39Å; V614-G617 PolarHBondContact O-N 3.43Å; T615-G617 PolarHBondContact O-N 2.85Å; G617-T620 PolarHBondContact O-N 2.97Å; G617-S621 WeakPolarHBondContact O-CB 3.4Å; G617-S621 PolarHBondContact O-N 3.07Å; G617-S621 PolarHBondContact O-OG 2.82Å; G617-G703 CarbonylContact C-O 3.56Å; G617-G703 WeakPolarHBondContact CA-O 3.09Å; G617-G703 CarbonylContact O-C 3.4Å; G617-G703 VanDerWaalsContact O-CA 3.26Å; G617-G703 WeakPolarHBondContact O-CA 3.41Å
618	L	97.9	Very high	95.3	Very high	81 Å²	81	40.7 Å²	40.7	42%	0.424	23%	0.229	S	C	.	.	H	α-helix	trans	-60.3	-51	173.4	-75.7	171.4	0	0	0	111.1	V614 T615 T620 S621 L622 L707	V614-L618 HydrophobicContact CG1-CD1 4.02Å; V614-L618 WeakPolarHBondContact O-CB 3.33Å; V614-L618 VanDerWaalsContact O-CG 3.31Å; V614-L618 WeakPolarHBondContact O-CG 3.48Å; V614-L618 PolarHBondContact O-N 3.45Å; T615-L618 PolarHBondContact O-N 2.92Å; L618-T620 VanDerWaalsContact C-N 3.33Å; L618-T620 PolarHBondContact O-N 3.49Å; L618-S621 PolarHBondContact O-N 3.01Å; L618-S621 PolarHBondContact O-OG 3.1Å; L618-L622 VanDerWaalsContact O-CG 3.26Å; L618-L622 WeakPolarHBondContact O-CG 3.23Å; L618-L622 PolarHBondContact O-N 2.84Å; L618-L707 HydrophobicContact CD2-CD1 4.22Å; L618-L707 HydrophobicContact CD2-CD2 4.02Å; L618-L707 HydrophobicContact CG-CD1 3.87Å
619	L	98	Very high	95.5	Very high	36 Å²	36	42.5 Å²	42.5	19%	0.188	23%	0.234	C	C	.	.	H	α-helix	trans	-55.6	-47.7	179	-72.8	170.5	0	0	0	111.7	T615 S616 L622 V623 Y635 L638	T615-L619 HydrophobicContact CG2-CD1 4Å; T615-L619 HydrophobicContact CG2-CG 4.42Å; T615-L619 WeakPolarHBondContact O-CB 3.21Å; T615-L619 VanDerWaalsContact O-CG 3.22Å; T615-L619 WeakPolarHBondContact O-CG 3.25Å; T615-L619 PolarHBondContact O-N 2.68Å; S616-L619 PolarHBondContact O-N 2.97Å; L619-L622 PolarHBondContact O-N 3.4Å; L619-V623 PolarHBondContact O-N 3.48Å; L619-Y635 HydrophobicContact CB-CD2 4.07Å; L619-Y635 HydrophobicContact CB-CE2 3.98Å; L619-L638 HydrophobicContact CD1-CB 3.66Å; L619-L638 HydrophobicContact CD2-CB 4.24Å; L619-L638 HydrophobicContact CD2-CD1 4.17Å
620	T	97.6	Very high	95.7	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-65.4	-40.2	179.4	-58.3	0	0	0	0	111.7	V557 P558 S616 G617 L618 L622 V623 Y635 Y639 F699	V557-T620 HydrophobicContact CG1-CG2 4.39Å; P558-T620 HydrophobicContact CG-CG2 4.31Å; S616-T620 PolarHBondContact O-N 3.1Å; S616-T620 PolarHBondContact O-OG1 3.5Å; S616-T620 VanDerWaalsContact O-OG1 3.06Å; G617-T620 PolarHBondContact O-N 2.97Å; L618-T620 VanDerWaalsContact C-N 3.33Å; L618-T620 PolarHBondContact O-N 3.49Å; T620-L622 PolarHBondContact O-N 2.95Å; T620-V623 WeakPolarHBondContact O-CB 3.38Å; T620-V623 WeakPolarHBondContact O-CG2 3.3Å; T620-V623 PolarHBondContact O-N 2.9Å; T620-Y635 PolarHBondContact OG1-OH 3.23Å; T620-Y639 VanDerWaalsContact OG1-CD2 3.31Å; T620-Y639 WeakPolarHBondContact OG1-CD2 3.48Å; T620-Y639 VanDerWaalsContact OG1-CE2 3.24Å; T620-Y639 WeakPolarHBondContact OG1-CE2 3.34Å; T620-F699 HydrophobicContact CG2-CD1 3.95Å
621	S	97.4	Very high	95.9	Very high	24 Å²	24	46 Å²	46	17%	0.168	27%	0.27	C	S	.	.	H	α-helix	trans	-66.7	-24.2	178	72.1	0	0	0	0	113.8	G617 L618 P624	G617-S621 WeakPolarHBondContact O-CB 3.4Å; G617-S621 PolarHBondContact O-N 3.07Å; G617-S621 PolarHBondContact O-OG 2.82Å; L618-S621 PolarHBondContact O-N 3.01Å; L618-S621 PolarHBondContact O-OG 3.1Å; S621-P624 VanDerWaalsContact O-CD 3.31Å; S621-P624 WeakPolarHBondContact O-CD 3.34Å
622	L	96.9	Very high	96.1	Very high	86 Å²	86	41.3 Å²	41.3	45%	0.45	25%	0.246	S	C	.	.	H	α-helix	trans	-90.3	-6.8	179.5	-65.8	172	0	0	0	113.5	L618 L619 T620 P624 L625	L618-L622 VanDerWaalsContact O-CG 3.26Å; L618-L622 WeakPolarHBondContact O-CG 3.23Å; L618-L622 PolarHBondContact O-N 2.84Å; L619-L622 PolarHBondContact O-N 3.4Å; T620-L622 PolarHBondContact O-N 2.95Å; L622-P624 VanDerWaalsContact C-N 3.31Å; L622-L625 HydrophobicContact CD2-CD1 3.68Å; L622-L625 WeakPolarHBondContact O-CB 3.49Å; L622-L625 PolarHBondContact O-N 3.04Å
623	V	97.7	Very high	96.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-51.2	-40.3	176.2	172.3	0	0	0	0	113.7	L619 T620 L625 I626 L632 Y635 F699	L619-V623 PolarHBondContact O-N 3.48Å; T620-V623 WeakPolarHBondContact O-CB 3.38Å; T620-V623 WeakPolarHBondContact O-CG2 3.3Å; T620-V623 PolarHBondContact O-N 2.9Å; V623-L625 PolarHBondContact O-N 3.39Å; V623-L625 VanDerWaalsContact O-N 3.08Å; V623-I626 WeakPolarHBondContact O-CA 3.31Å; V623-I626 VanDerWaalsContact O-CB 3.28Å; V623-I626 WeakPolarHBondContact O-CB 3.33Å; V623-I626 PolarHBondContact O-N 3.29Å; V623-L632 HydrophobicContact CG1-CD2 4.16Å; V623-Y635 HydrophobicContact CG2-CD1 3.89Å; V623-Y635 HydrophobicContact CG2-CD2 3.6Å; V623-Y635 HydrophobicContact CG2-CE1 3.69Å; V623-Y635 HydrophobicContact CG2-CE2 3.41Å; V623-Y635 VanDerWaalsContact CG2-CE2 3.41Å; V623-Y635 HydrophobicContact CG2-CG 3.83Å; V623-Y635 VanDerWaalsContact CG2-CZ 3.44Å; V623-F699 HydrophobicContact CB-CB 4.16Å; V623-F699 HydrophobicContact CB-CD1 3.71Å; V623-F699 HydrophobicContact CB-CE1 4.32Å; V623-F699 HydrophobicContact CB-CG 3.93Å; V623-F699 HydrophobicContact CG1-CD1 3.72Å; V623-F699 HydrophobicContact CG1-CD2 4.13Å; V623-F699 HydrophobicContact CG1-CE1 3.93Å; V623-F699 HydrophobicContact CG1-CE2 4.33Å; V623-F699 HydrophobicContact CG1-CG 3.85Å; V623-F699 HydrophobicContact CG1-CZ 4.25Å; V623-F699 HydrophobicContact CG2-CD1 3.81Å; V623-F699 HydrophobicContact CG2-CE1 4.2Å
624	P	95.8	Very high	96.3	Very high	30 Å²	30	44.5 Å²	44.5	20%	0.195	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-59.7	-20.7	177.5	-26.4	36.6	0	0	0	115	S621 L622 I626 N696 F699 I700	S621-P624 VanDerWaalsContact O-CD 3.31Å; S621-P624 WeakPolarHBondContact O-CD 3.34Å; L622-P624 VanDerWaalsContact C-N 3.31Å; P624-I626 VanDerWaalsContact C-N 3.27Å; P624-N696 HydrophobicContact CB-CB 4.02Å; P624-N696 HydrophobicContact CG-CB 4.1Å; P624-F699 HydrophobicContact CG-CB 4.18Å; P624-I700 HydrophobicContact CG-CD1 4.2Å; P624-I700 HydrophobicContact CG-CG1 3.88Å
625	L	95.5	Very high	96.4	Very high	135 Å²	135	43.5 Å²	43.5	71%	0.707	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-80.1	-13.8	175.3	-55.2	-179.8	0	0	0	112.1	L622 V623 T627	L622-L625 HydrophobicContact CD2-CD1 3.68Å; L622-L625 WeakPolarHBondContact O-CB 3.49Å; L622-L625 PolarHBondContact O-N 3.04Å; V623-L625 PolarHBondContact O-N 3.39Å; V623-L625 VanDerWaalsContact O-N 3.08Å; L625-T627 PolarHBondContact O-N 3.19Å
626	I	94.8	Very high	96.4	Very high	38 Å²	38	40.7 Å²	40.7	20%	0.195	25%	0.246	C	C	.	.			trans	-88.7	104.5	-179.2	-55.4	178.2	0	0	0	109	V623 P624 V628 G631 L632 Y635	V623-I626 WeakPolarHBondContact O-CA 3.31Å; V623-I626 VanDerWaalsContact O-CB 3.28Å; V623-I626 WeakPolarHBondContact O-CB 3.33Å; V623-I626 PolarHBondContact O-N 3.29Å; P624-I626 VanDerWaalsContact C-N 3.27Å; I626-V628 WeakPolarHBondContact CG2-O 3.49Å; I626-G631 VanDerWaalsContact CG2-C 3.48Å; I626-L632 HydrophobicContact CB-CD2 4.13Å; I626-L632 HydrophobicContact CG2-CD2 3.77Å; I626-L632 HydrophobicContact CG2-CG 3.92Å; I626-Y635 HydrophobicContact CD1-CG 4.46Å
627	T	91.7	Very high	96.5	Very high	104 Å²	104	42.8 Å²	42.8	64%	0.638	26%	0.26	S	S	*	.			trans	-98.8	-12.4	178.3	55.4	0	0	0	0	113.4	L625	L625-T627 PolarHBondContact O-N 3.19Å
628	V	93.5	Very high	96.4	Very high	93 Å²	93	47.4 Å²	47.4	56%	0.564	28%	0.284	S	S	*	.	S	Bend	trans	-108.2	138.4	-177.3	-66.9	0	0	0	0	111.5	I626 G630 G631 L632	I626-V628 WeakPolarHBondContact CG2-O 3.49Å; V628-G630 VanDerWaalsContact C-N 3.29Å; V628-G630 PolarHBondContact O-N 3.37Å; V628-G631 PolarHBondContact O-N 2.8Å; V628-L632 PolarHBondContact O-N 3.1Å
629	Y	94.4	Very high	96.4	Very high	68 Å²	68	43.5 Å²	43.5	27%	0.267	26%	0.264	S	S	.	.	H	α-helix	trans	-56.7	-39.7	-179.7	177.9	-105.8	0	0	0	113	A571 S575 L579 G631 L632 I633	A571-Y629 HydrophobicContact CB-CD2 3.96Å; A571-Y629 HydrophobicContact CB-CE2 4.39Å; S575-Y629 PolarHBondContact O-OH 2.83Å; L579-Y629 HydrophobicContact CD1-CE2 4.05Å; L579-Y629 HydrophobicContact CD2-CD2 4.48Å; L579-Y629 HydrophobicContact CD2-CE2 3.75Å; L579-Y629 HydrophobicContact CG-CE2 3.86Å; Y629-G631 PolarHBondContact O-N 3.48Å; Y629-L632 WeakPolarHBondContact O-CA 3.28Å; Y629-L632 WeakPolarHBondContact O-CB 3.26Å; Y629-L632 PolarHBondContact O-N 2.79Å; Y629-I633 HydrophobicContact CD1-CD1 4.03Å; Y629-I633 HydrophobicContact CD1-CG1 4.34Å; Y629-I633 HydrophobicContact CE1-CD1 3.57Å; Y629-I633 HydrophobicContact CE1-CG1 3.9Å; Y629-I633 PolarHBondContact O-N 3.25Å; Y629-I633 VanDerWaalsContact O-N 3.1Å
630	G	94.5	Very high	96.2	Very high	48 Å²	48	41.8 Å²	41.8	50%	0.495	26%	0.255	S	S	.	.	H	α-helix	trans	-59.1	-32.2	175.9	0	0	0	0	0	113.7	V628 I633 G634	V628-G630 VanDerWaalsContact C-N 3.29Å; V628-G630 PolarHBondContact O-N 3.37Å; G630-I633 PolarHBondContact O-N 3.46Å; G630-G634 PolarHBondContact O-N 3.23Å; G630-G634 VanDerWaalsContact O-N 3.16Å
631	G	96.8	Very high	96.1	Very high	24 Å²	24	45.2 Å²	45.2	25%	0.247	27%	0.272	C	S	.	.	H	α-helix	trans	-69.9	-34.6	173.5	0	0	0	0	0	112.3	I626 V628 Y629 I633 G634 Y635	I626-G631 VanDerWaalsContact CG2-C 3.48Å; V628-G631 PolarHBondContact O-N 2.8Å; Y629-G631 PolarHBondContact O-N 3.48Å; G631-I633 VanDerWaalsContact C-N 3.33Å; G631-G634 PolarHBondContact O-N 3.46Å; G631-Y635 WeakPolarHBondContact O-CB 3.41Å; G631-Y635 PolarHBondContact O-N 3.44Å
632	L	97.1	Very high	95.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-33.8	175	-64.2	179.5	0	0	0	111.9	L562 A566 L569 L579 V623 I626 V628 Y629 Y635 S636	L562-L632 HydrophobicContact CD1-CD2 4.28Å; A566-L632 HydrophobicContact CB-CD1 3.72Å; L569-L632 HydrophobicContact CD1-CD1 4.03Å; L579-L632 HydrophobicContact CD1-CB 4Å; L579-L632 HydrophobicContact CD1-CD1 4.07Å; L579-L632 HydrophobicContact CD2-CB 3.89Å; V623-L632 HydrophobicContact CG1-CD2 4.16Å; I626-L632 HydrophobicContact CB-CD2 4.13Å; I626-L632 HydrophobicContact CG2-CD2 3.77Å; I626-L632 HydrophobicContact CG2-CG 3.92Å; V628-L632 PolarHBondContact O-N 3.1Å; Y629-L632 WeakPolarHBondContact O-CA 3.28Å; Y629-L632 WeakPolarHBondContact O-CB 3.26Å; Y629-L632 PolarHBondContact O-N 2.79Å; L632-Y635 PolarHBondContact O-N 3.06Å; L632-S636 WeakPolarHBondContact O-CB 3.44Å; L632-S636 PolarHBondContact O-N 3.17Å; L632-S636 PolarHBondContact O-OG 3.29Å
633	I	97.5	Very high	95.7	Very high	45 Å²	45	40.9 Å²	40.9	23%	0.231	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-49.6	170.9	-58	175.1	0	0	0	109.7	L579 Y582 Y629 G630 G631 Y635 S636 C637	L579-I633 HydrophobicContact CD2-CG1 3.94Å; Y582-I633 HydrophobicContact CD2-CG1 4.3Å; Y582-I633 HydrophobicContact CD2-CG2 3.87Å; Y582-I633 HydrophobicContact CE2-CD1 4.25Å; Y582-I633 HydrophobicContact CE2-CG1 4.07Å; Y582-I633 HydrophobicContact CE2-CG2 3.98Å; Y582-I633 HydrophobicContact CG-CG2 4.2Å; Y629-I633 HydrophobicContact CD1-CD1 4.03Å; Y629-I633 HydrophobicContact CD1-CG1 4.34Å; Y629-I633 HydrophobicContact CE1-CD1 3.57Å; Y629-I633 HydrophobicContact CE1-CG1 3.9Å; Y629-I633 PolarHBondContact O-N 3.25Å; Y629-I633 VanDerWaalsContact O-N 3.1Å; G630-I633 PolarHBondContact O-N 3.46Å; G631-I633 VanDerWaalsContact C-N 3.33Å; I633-Y635 VanDerWaalsContact C-N 3.33Å; I633-Y635 PolarHBondContact O-N 3.23Å; I633-S636 WeakPolarHBondContact O-CB 3.36Å; I633-S636 PolarHBondContact O-N 3.36Å; I633-S636 VanDerWaalsContact O-N 3.12Å; I633-C637 PolarHBondContact O-N 2.8Å
634	G	97.5	Very high	95.3	Very high	34 Å²	34	40.9 Å²	40.9	35%	0.351	25%	0.249	S	C	.	.	H	α-helix	trans	-57	-45.9	177.3	0	0	0	0	0	112.3	G630 G631 C637 L638	G630-G634 PolarHBondContact O-N 3.23Å; G630-G634 VanDerWaalsContact O-N 3.16Å; G631-G634 PolarHBondContact O-N 3.46Å; G634-C637 PolarHBondContact O-N 2.93Å; G634-L638 WeakPolarHBondContact O-CB 3.39Å; G634-L638 WeakPolarHBondContact O-CG 3.23Å; G634-L638 PolarHBondContact O-N 3.42Å
635	Y	98	Very high	94.8	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.027	24%	0.24	C	C	.	.	H	α-helix	trans	-57.3	-48.7	172.3	164.3	-104.8	0	0	0	112.2	P558 L562 L619 T620 V623 I626 G631 L632 I633 C637 L638 Y639	P558-Y635 HydrophobicContact CB-CE1 4.41Å; P558-Y635 WeakPolarHBondContact CG-OH 3.23Å; L562-Y635 HydrophobicContact CD1-CD1 4Å; L562-Y635 HydrophobicContact CD1-CE1 3.82Å; L562-Y635 HydrophobicContact CD2-CD1 4.22Å; L562-Y635 HydrophobicContact CD2-CE1 3.94Å; L619-Y635 HydrophobicContact CB-CD2 4.07Å; L619-Y635 HydrophobicContact CB-CE2 3.98Å; T620-Y635 PolarHBondContact OG1-OH 3.23Å; V623-Y635 HydrophobicContact CG2-CD1 3.89Å; V623-Y635 HydrophobicContact CG2-CD2 3.6Å; V623-Y635 HydrophobicContact CG2-CE1 3.69Å; V623-Y635 HydrophobicContact CG2-CE2 3.41Å; V623-Y635 VanDerWaalsContact CG2-CE2 3.41Å; V623-Y635 HydrophobicContact CG2-CG 3.83Å; V623-Y635 VanDerWaalsContact CG2-CZ 3.44Å; I626-Y635 HydrophobicContact CD1-CG 4.46Å; G631-Y635 WeakPolarHBondContact O-CB 3.41Å; G631-Y635 PolarHBondContact O-N 3.44Å; L632-Y635 PolarHBondContact O-N 3.06Å; I633-Y635 VanDerWaalsContact C-N 3.33Å; I633-Y635 PolarHBondContact O-N 3.23Å; Y635-C637 VanDerWaalsContact C-N 3.32Å; Y635-C637 PolarHBondContact O-N 2.84Å; Y635-L638 PolarHBondContact O-N 3.41Å; Y635-Y639 HydrophobicContact CE2-CD2 4.23Å; Y635-Y639 HydrophobicContact CE2-CG 4.23Å; Y635-Y639 WeakPolarHBondContact O-CB 3.47Å; Y635-Y639 PolarHBondContact O-N 3.15Å
636	S	97.6	Very high	94.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	-44.2	-177.6	-58.4	0	0	0	0	111.6	S586 L632 I633 G640	S586-S636 PolarHBondContact OG-O 2.96Å; L632-S636 WeakPolarHBondContact O-CB 3.44Å; L632-S636 PolarHBondContact O-N 3.17Å; L632-S636 PolarHBondContact O-OG 3.29Å; I633-S636 WeakPolarHBondContact O-CB 3.36Å; I633-S636 PolarHBondContact O-N 3.36Å; I633-S636 VanDerWaalsContact O-N 3.12Å; S636-G640 PolarHBondContact O-N 3.35Å
637	C	97.4	Very high	93.4	Very high	44 Å²	44	33.8 Å²	33.8	30%	0.297	21%	0.21	S	C	.	.	H	α-helix	trans	-66.5	-46.4	177.2	-68.2	0	0	0	0	112.6	S586 I633 G634 Y635 L641	S586-C637 WeakPolarHBondContact CB-O 3.37Å; S586-C637 PolarHBondContact OG-O 3.43Å; I633-C637 PolarHBondContact O-N 2.8Å; G634-C637 PolarHBondContact O-N 2.93Å; Y635-C637 VanDerWaalsContact C-N 3.32Å; Y635-C637 PolarHBondContact O-N 2.84Å; C637-L641 WeakPolarHBondContact O-CG 3.26Å; C637-L641 PolarHBondContact O-N 3.45Å
638	L	96.7	Very high	92.7	Very high	96 Å²	96	29.7 Å²	29.7	50%	0.503	19%	0.185	S	C	.	.	H	α-helix	trans	-69.5	-40	-178.9	-69.9	174	0	0	0	112.1	L619 G634 Y635 S642	L619-L638 HydrophobicContact CD1-CB 3.66Å; L619-L638 HydrophobicContact CD2-CB 4.24Å; L619-L638 HydrophobicContact CD2-CD1 4.17Å; G634-L638 WeakPolarHBondContact O-CB 3.39Å; G634-L638 WeakPolarHBondContact O-CG 3.23Å; G634-L638 PolarHBondContact O-N 3.42Å; Y635-L638 PolarHBondContact O-N 3.41Å; L638-S642 WeakPolarHBondContact O-CB 3.5Å; L638-S642 PolarHBondContact O-N 3.18Å; L638-S642 PolarHBondContact O-OG 3.24Å
639	Y	97.2	Very high	92.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-47.9	174.8	179.5	-95	0	0	0	110.6	P558 L583 T620 Y635 L641 S642 I643	P558-Y639 HydrophobicContact CB-CD1 4.12Å; P558-Y639 HydrophobicContact CB-CE1 3.85Å; P558-Y639 HydrophobicContact CG-CD1 4.15Å; P558-Y639 HydrophobicContact CG-CD2 4.41Å; P558-Y639 HydrophobicContact CG-CE1 3.65Å; P558-Y639 HydrophobicContact CG-CE2 3.95Å; L583-Y639 HydrophobicContact CD1-CD1 3.81Å; L583-Y639 HydrophobicContact CD1-CE1 4.23Å; L583-Y639 HydrophobicContact CD2-CD1 4.44Å; L583-Y639 HydrophobicContact CG-CD1 4.08Å; T620-Y639 VanDerWaalsContact OG1-CD2 3.31Å; T620-Y639 WeakPolarHBondContact OG1-CD2 3.48Å; T620-Y639 VanDerWaalsContact OG1-CE2 3.24Å; T620-Y639 WeakPolarHBondContact OG1-CE2 3.34Å; Y635-Y639 HydrophobicContact CE2-CD2 4.23Å; Y635-Y639 HydrophobicContact CE2-CG 4.23Å; Y635-Y639 WeakPolarHBondContact O-CB 3.47Å; Y635-Y639 PolarHBondContact O-N 3.15Å; Y639-L641 PolarHBondContact O-N 3.26Å; Y639-S642 WeakPolarHBondContact CA-OG 3.44Å; Y639-S642 PolarHBondContact O-N 3.42Å; Y639-S642 PolarHBondContact O-OG 2.94Å; Y639-I643 HydrophobicContact CD1-CB 4.5Å; Y639-I643 HydrophobicContact CD1-CG2 4.1Å; Y639-I643 HydrophobicContact CE1-CB 4.08Å; Y639-I643 HydrophobicContact CE1-CG1 4.29Å; Y639-I643 HydrophobicContact CE1-CG2 3.79Å; Y639-I643 HydrophobicContact CE2-CB 4.33Å; Y639-I643 HydrophobicContact CE2-CG1 4.46Å; Y639-I643 WeakPolarHBondContact O-CB 3.36Å; Y639-I643 WeakPolarHBondContact O-CG2 3.42Å; Y639-I643 PolarHBondContact O-N 2.97Å
640	G	95.4	Very high	91.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.8	-43.9	178.7	0	0	0	0	0	112.9	S586 N587 S636 S644	S586-G640 WeakPolarHBondContact OG-CA 3.48Å; N587-G640 VanDerWaalsContact CA-O 3.25Å; N587-G640 WeakPolarHBondContact CA-O 3.42Å; S636-G640 PolarHBondContact O-N 3.35Å; G640-S644 PolarHBondContact O-N 3.42Å
641	L	94.1	Very high	90.7	Very high	73 Å²	73	20.7 Å²	20.7	38%	0.382	13%	0.127	S	C	.	.	H	α-helix	trans	-60.9	-49.3	173.4	-75.4	171.7	0	0	0	112.1	S586 V589 C637 Y639 S644	S586-L641 WeakPolarHBondContact O-CD2 3.25Å; V589-L641 HydrophobicContact CB-CD2 4.24Å; V589-L641 HydrophobicContact CG1-CD2 4.06Å; C637-L641 WeakPolarHBondContact O-CG 3.26Å; C637-L641 PolarHBondContact O-N 3.45Å; Y639-L641 PolarHBondContact O-N 3.26Å; L641-S644 WeakPolarHBondContact O-CB 3.39Å; L641-S644 PolarHBondContact O-OG 3.44Å
642	S	93.3	Very high	89.8	Confident	16 Å²	16	20.7 Å²	20.7	11%	0.112	12%	0.121	C	C	.	.	H	α-helix	trans	-68.2	-47.1	-176.1	54.4	0	0	0	0	112.3	S612 S616 L638 Y639 S644 A645	S612-S642 WeakPolarHBondContact CB-O 3.21Å; S616-S642 VanDerWaalsContact OG-CB 3.22Å; S616-S642 WeakPolarHBondContact OG-CB 3.43Å; S616-S642 PolarHBondContact OG-OG 3.1Å; L638-S642 WeakPolarHBondContact O-CB 3.5Å; L638-S642 PolarHBondContact O-N 3.18Å; L638-S642 PolarHBondContact O-OG 3.24Å; Y639-S642 WeakPolarHBondContact CA-OG 3.44Å; Y639-S642 PolarHBondContact O-N 3.42Å; Y639-S642 PolarHBondContact O-OG 2.94Å; S642-S644 PolarHBondContact O-N 3.07Å; S642-S644 VanDerWaalsContact O-N 3.15Å; S642-A645 PolarHBondContact O-N 3.08Å
643	I	93.4	Very high	89	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-68.9	-17.7	-176.1	-160	60.7	0	0	0	112.8	Y555 N587 L613 S616 Y639 A645 F646	Y555-I643 HydrophobicContact CD2-CD1 4.01Å; Y555-I643 HydrophobicContact CD2-CG1 3.59Å; Y555-I643 HydrophobicContact CE2-CG1 3.71Å; N587-I643 WeakPolarHBondContact ND2-CG2 3.37Å; L613-I643 HydrophobicContact CD2-CD1 4.48Å; S616-I643 WeakPolarHBondContact OG-CA 3.38Å; S616-I643 PolarHBondContact OG-N 3.2Å; S616-I643 VanDerWaalsContact OG-N 3.17Å; Y639-I643 HydrophobicContact CD1-CB 4.5Å; Y639-I643 HydrophobicContact CD1-CG2 4.1Å; Y639-I643 HydrophobicContact CE1-CB 4.08Å; Y639-I643 HydrophobicContact CE1-CG1 4.29Å; Y639-I643 HydrophobicContact CE1-CG2 3.79Å; Y639-I643 HydrophobicContact CE2-CB 4.33Å; Y639-I643 HydrophobicContact CE2-CG1 4.46Å; Y639-I643 WeakPolarHBondContact O-CB 3.36Å; Y639-I643 WeakPolarHBondContact O-CG2 3.42Å; Y639-I643 PolarHBondContact O-N 2.97Å; I643-A645 PolarHBondContact O-N 3.42Å; I643-F646 HydrophobicContact CD1-CB 4.04Å; I643-F646 HydrophobicContact CD1-CD1 4.35Å; I643-F646 HydrophobicContact CD1-CG 4.45Å; I643-F646 VanDerWaalsContact O-CB 3.3Å; I643-F646 WeakPolarHBondContact O-CB 3.31Å; I643-F646 PolarHBondContact O-N 3.13Å
644	S	89.7	Confident	88.2	Confident	1 Å²	1	18.5 Å²	18.5	1%	0.007	11%	0.11	C	C	.	.	H	α-helix	trans	-57.7	-35.1	178.8	71	0	0	0	0	113.7	N587 G590 R591 G640 L641 S642 F646 S648	N587-S644 WeakPolarHBondContact O-CB 3.2Å; G590-S644 WeakPolarHBondContact CA-OG 3.19Å; G590-S644 PolarHBondContact O-OG 2.91Å; R591-S644 VanDerWaalsContact N-CB 3.33Å; R591-S644 PolarHBondContact N-OG 3.34Å; G640-S644 PolarHBondContact O-N 3.42Å; L641-S644 WeakPolarHBondContact O-CB 3.39Å; L641-S644 PolarHBondContact O-OG 3.44Å; S642-S644 PolarHBondContact O-N 3.07Å; S642-S644 VanDerWaalsContact O-N 3.15Å; S644-F646 VanDerWaalsContact C-N 3.27Å; S644-F646 PolarHBondContact O-N 3.21Å; S644-S648 PolarHBondContact O-N 3.46Å; S644-S648 PolarHBondContact O-OG 2.95Å
645	A	85.5	Confident	86.9	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-65.4	-30.1	177.6	0	0	0	0	0	112.3	T594 I608 S612 S642 I643 I647 V649	T594-A645 HydrophobicContact CG2-CB 3.73Å; I608-A645 HydrophobicContact CG2-CB 4.44Å; S612-A645 WeakPolarHBondContact OG-CB 3.25Å; S642-A645 PolarHBondContact O-N 3.08Å; I643-A645 PolarHBondContact O-N 3.42Å; A645-I647 VanDerWaalsContact C-N 3.32Å; A645-I647 PolarHBondContact O-N 3.43Å; A645-V649 HydrophobicContact CB-CG2 4.04Å; A645-V649 WeakPolarHBondContact O-CA 3.32Å; A645-V649 WeakPolarHBondContact O-CB 3.37Å; A645-V649 WeakPolarHBondContact O-CG2 3.35Å; A645-V649 PolarHBondContact O-N 3.48Å
646	F	83.8	Confident	85.8	Confident	7 Å²	7	22.7 Å²	22.7	3%	0.031	12%	0.121	C	C	.	.	H	α-helix	trans	-58.2	-42.9	-177.6	166.8	-122.1	0	0	0	112	S551 Y555 L613 I643 S644 R650	S551-F646 VanDerWaalsContact CB-CE2 3.46Å; S551-F646 VanDerWaalsContact CB-CZ 3.47Å; S551-F646 WeakPolarHBondContact OG-CE2 3.25Å; Y555-F646 HydrophobicContact CD2-CD1 4.29Å; Y555-F646 HydrophobicContact CD2-CE1 4.48Å; L613-F646 HydrophobicContact CD2-CB 4.02Å; L613-F646 HydrophobicContact CD2-CD2 3.8Å; L613-F646 HydrophobicContact CD2-CG 4.02Å; I643-F646 HydrophobicContact CD1-CB 4.04Å; I643-F646 HydrophobicContact CD1-CD1 4.35Å; I643-F646 HydrophobicContact CD1-CG 4.45Å; I643-F646 VanDerWaalsContact O-CB 3.3Å; I643-F646 WeakPolarHBondContact O-CB 3.31Å; I643-F646 PolarHBondContact O-N 3.13Å; S644-F646 VanDerWaalsContact C-N 3.27Å; S644-F646 PolarHBondContact O-N 3.21Å; F646-R650 WeakPolarHBondContact O-CB 3.38Å
647	I	76.7	Confident	84.9	Confident	46 Å²	46	23.8 Å²	23.8	24%	0.236	13%	0.128	C	C	.	.	H	α-helix	trans	-82.9	-45.7	-177.4	-64.5	172.2	0	0	0	110.5	Y555 A645	Y555-I647 HydrophobicContact CE2-CD1 4.35Å; A645-I647 VanDerWaalsContact C-N 3.32Å; A645-I647 PolarHBondContact O-N 3.43Å
648	S	76.3	Confident	84	Confident	17 Å²	17	22.9 Å²	22.9	12%	0.119	12%	0.12	C	C	.	.	H	α-helix	trans	-68.1	-42.7	-176.2	-57.3	0	0	0	0	113.4	S644 T651	S644-S648 PolarHBondContact O-N 3.46Å; S644-S648 PolarHBondContact O-OG 2.95Å; S648-T651 PolarHBondContact O-OG1 3.49Å
649	V	82.5	Confident	82.6	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-87.5	-25.3	-171.2	-175.9	0	0	0	0	111.3	V605 I608 N609 A645 T651 I652 L653	V605-V649 HydrophobicContact CB-CG1 4.35Å; V605-V649 HydrophobicContact CG1-CG1 3.35Å; V605-V649 WeakPolarHBondContact O-CG1 3.14Å; I608-V649 HydrophobicContact CG2-CG2 4.25Å; N609-V649 HydrophobicContact CB-CB 4.27Å; N609-V649 HydrophobicContact CB-CG1 3.83Å; A645-V649 HydrophobicContact CB-CG2 4.04Å; A645-V649 WeakPolarHBondContact O-CA 3.32Å; A645-V649 WeakPolarHBondContact O-CB 3.37Å; A645-V649 WeakPolarHBondContact O-CG2 3.35Å; A645-V649 PolarHBondContact O-N 3.48Å; V649-T651 PolarHBondContact O-N 3.38Å; V649-I652 PolarHBondContact O-N 2.81Å; V649-L653 WeakPolarHBondContact O-CB 3.49Å; V649-L653 PolarHBondContact O-N 2.87Å
650	R	81.5	Confident	81	Confident	9 Å²	9	20 Å²	20	3%	0.034	11%	0.112	C	C	.	.	H	α-helix	trans	-65.8	-38.4	-175.4	-175.2	68.1	62.7	96.5	-0.4	113.1	S548 S551 N609 F646 I652 L653 I654 M670	S548-R650 PolarHBondContact OG-NH1 2.93Å; S551-R650 PolarHBondContact OG-NH2 2.83Å; N609-R650 PolarHBondContact OD1-NE 3.29Å; F646-R650 WeakPolarHBondContact O-CB 3.38Å; R650-I652 VanDerWaalsContact C-N 3.3Å; R650-I652 PolarHBondContact O-N 3.19Å; R650-L653 PolarHBondContact O-N 3.08Å; R650-I654 VanDerWaalsContact O-CG1 3.31Å; R650-I654 WeakPolarHBondContact O-CG1 3.48Å; R650-I654 PolarHBondContact O-N 3.29Å; R650-I654 VanDerWaalsContact O-N 3.08Å; R650-M670 HydrophobicContact CG-CE 3.96Å
651	T	76.5	Confident	79.4	Confident	11 Å²	11	24 Å²	24	7%	0.067	13%	0.134	C	C	.	.	H	α-helix	trans	-62.4	-40.8	175.5	52.4	0	0	0	0	111.2	S488 S648 V649 F667	S488-T651 VanDerWaalsContact CB-OG1 3.28Å; S488-T651 WeakPolarHBondContact CB-OG1 3.42Å; S488-T651 PolarHBondContact OG-OG1 3.12Å; S488-T651 VanDerWaalsContact OG-OG1 3.07Å; S648-T651 PolarHBondContact O-OG1 3.49Å; V649-T651 PolarHBondContact O-N 3.38Å; T651-F667 HydrophobicContact CG2-CD2 4.11Å; T651-F667 HydrophobicContact CG2-CE2 3.53Å; T651-F667 HydrophobicContact CG2-CZ 4.11Å
652	I	77.3	Confident	78.2	Confident	24 Å²	24	25.2 Å²	25.2	12%	0.123	13%	0.133	C	C	.	.	H	α-helix	trans	-66.9	-41.2	175.7	-55.5	173.5	0	0	0	110.9	V605 V649 R650 I654 V655 Q656	V605-I652 HydrophobicContact CG1-CB 4.24Å; V605-I652 HydrophobicContact CG1-CG2 3.92Å; V605-I652 HydrophobicContact CG2-CG2 4.45Å; V649-I652 PolarHBondContact O-N 2.81Å; R650-I652 VanDerWaalsContact C-N 3.3Å; R650-I652 PolarHBondContact O-N 3.19Å; I652-I654 PolarHBondContact O-N 3.08Å; I652-V655 WeakPolarHBondContact O-CB 3.23Å; I652-V655 PolarHBondContact O-N 2.99Å; I652-Q656 PolarHBondContact O-N 2.87Å; I652-Q656 VanDerWaalsContact O-N 3.12Å
653	L	81.2	Confident	76.9	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-61.6	-41.5	179.6	177.6	62.1	0	0	0	112.3	L544 V605 L606 V649 R650 V655 Q656 V657 L716	L544-L653 HydrophobicContact CD1-CD2 4.23Å; V605-L653 HydrophobicContact CG1-CB 4.46Å; L606-L653 HydrophobicContact CB-CD1 3.87Å; L606-L653 HydrophobicContact CD1-CD1 3.64Å; L606-L653 HydrophobicContact CD1-CD2 3.84Å; L606-L653 HydrophobicContact CD1-CG 4.39Å; L606-L653 HydrophobicContact CG-CD1 4.34Å; V649-L653 WeakPolarHBondContact O-CB 3.49Å; V649-L653 PolarHBondContact O-N 2.87Å; R650-L653 PolarHBondContact O-N 3.08Å; L653-V655 PolarHBondContact O-N 3.08Å; L653-Q656 PolarHBondContact O-N 3.27Å; L653-V657 HydrophobicContact CD1-CG2 3.79Å; L653-V657 HydrophobicContact CG-CG2 4.38Å; L653-V657 WeakPolarHBondContact O-CB 3.34Å; L653-V657 VanDerWaalsContact O-CG2 3.28Å; L653-V657 WeakPolarHBondContact O-CG2 3.38Å; L653-V657 PolarHBondContact O-N 3.36Å; L653-V657 VanDerWaalsContact O-N 3.17Å; L653-L716 HydrophobicContact CD1-CD2 4.46Å; L653-L716 HydrophobicContact CD2-CD2 4.19Å; L653-L716 HydrophobicContact CG-CD2 4.44Å
654	I	80.3	Confident	75.5	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.7	-43.2	177	-65.8	159.9	0	0	0	110	L544 R650 I652 V657 L658 L663 A666 F667 M670	L544-I654 HydrophobicContact CD2-CB 4.46Å; L544-I654 HydrophobicContact CD2-CG1 3.65Å; R650-I654 VanDerWaalsContact O-CG1 3.31Å; R650-I654 WeakPolarHBondContact O-CG1 3.48Å; R650-I654 PolarHBondContact O-N 3.29Å; R650-I654 VanDerWaalsContact O-N 3.08Å; I652-I654 PolarHBondContact O-N 3.08Å; I654-V657 PolarHBondContact O-N 3.04Å; I654-L658 HydrophobicContact CG2-CD1 4.02Å; I654-L658 WeakPolarHBondContact O-CB 3.49Å; I654-L658 PolarHBondContact O-N 3.38Å; I654-L663 HydrophobicContact CB-CD1 3.81Å; I654-L663 HydrophobicContact CG2-CD1 3.49Å; I654-L663 VanDerWaalsContact CG2-CD1 3.49Å; I654-A666 HydrophobicContact CG2-CB 3.91Å; I654-F667 HydrophobicContact CD1-CD2 3.94Å; I654-M670 HydrophobicContact CD1-CE 3.74Å; I654-M670 HydrophobicContact CD1-SD 3.39Å; I654-M670 WeakPolarHBondContact CD1-SD 3.35Å; I654-M670 HydrophobicContact CG1-CE 4.09Å; I654-M670 HydrophobicContact CG1-SD 3.72Å
655	V	71.5	Confident	74.6	Confident	8 Å²	8	26.5 Å²	26.5	5%	0.048	14%	0.139	C	C	.	.	H	α-helix	trans	-67.2	-44.3	-177.9	177.3	0	0	0	0	112	L487 L494 I652 L653 V657 G659 L660 L663	L487-V655 HydrophobicContact CD1-CB 4.28Å; L487-V655 HydrophobicContact CD1-CG1 4.21Å; L487-V655 HydrophobicContact CD1-CG2 3.68Å; L494-V655 HydrophobicContact CD1-CG1 3.39Å; I652-V655 WeakPolarHBondContact O-CB 3.23Å; I652-V655 PolarHBondContact O-N 2.99Å; L653-V655 PolarHBondContact O-N 3.08Å; V655-V657 PolarHBondContact O-N 3.47Å; V655-G659 CarbonylContact O-C 3.56Å; V655-G659 WeakPolarHBondContact O-CA 3.37Å; V655-G659 PolarHBondContact O-N 2.86Å; V655-L660 HydrophobicContact CG1-CD1 4.22Å; V655-L660 HydrophobicContact CG2-CD1 4.47Å; V655-L663 HydrophobicContact CG2-CB 4.17Å; V655-L663 HydrophobicContact CG2-CD1 3.42Å; V655-L663 VanDerWaalsContact CG2-CD1 3.42Å; V655-L663 HydrophobicContact CG2-CD2 3.43Å; V655-L663 VanDerWaalsContact CG2-CD2 3.43Å; V655-L663 HydrophobicContact CG2-CG 3.82Å
656	Q	74.9	Confident	74.1	Confident	121 Å²	121	26.4 Å²	26.4	57%	0.565	14%	0.139	S	C	*	.	H	α-helix	trans	-64.2	-25.1	177.8	-71	-171.9	-11	0	0	113.1	I652 L653	I652-Q656 PolarHBondContact O-N 2.87Å; I652-Q656 VanDerWaalsContact O-N 3.12Å; L653-Q656 PolarHBondContact O-N 3.27Å
657	V	79	Confident	73.6	Confident	22 Å²	22	27.7 Å²	27.7	13%	0.133	15%	0.145	C	C	.	.	H	α-helix	trans	-100	-41.8	-172.4	172.7	0	0	0	0	112.8	T540 L653 I654 V655 L716 A720	T540-V657 HydrophobicContact CG2-CG1 3.07Å; L653-V657 HydrophobicContact CD1-CG2 3.79Å; L653-V657 HydrophobicContact CG-CG2 4.38Å; L653-V657 WeakPolarHBondContact O-CB 3.34Å; L653-V657 VanDerWaalsContact O-CG2 3.28Å; L653-V657 WeakPolarHBondContact O-CG2 3.38Å; L653-V657 PolarHBondContact O-N 3.36Å; L653-V657 VanDerWaalsContact O-N 3.17Å; I654-V657 PolarHBondContact O-N 3.04Å; V655-V657 PolarHBondContact O-N 3.47Å; V657-L716 HydrophobicContact CG1-CD2 4.41Å; V657-L716 HydrophobicContact CG1-CG 4.3Å; V657-L716 HydrophobicContact CG2-CD2 4.09Å; V657-L716 HydrophobicContact CG2-CG 4.47Å; V657-A720 HydrophobicContact CG1-CB 4.02Å
658	L	76.6	Confident	73.5	Confident	25 Å²	25	26 Å²	26	13%	0.131	14%	0.139	C	C	.	.	H	α-helix	trans	-106.9	-7.1	-176.1	-58.9	177.8	0	0	0	113.5	L535 T540 F541 I654 R662 A666	L535-L658 HydrophobicContact CD2-CD1 4.29Å; T540-L658 HydrophobicContact CG2-CD2 4.15Å; F541-L658 HydrophobicContact CB-CD1 4.16Å; F541-L658 HydrophobicContact CB-CD2 4.31Å; F541-L658 HydrophobicContact CD2-CD1 3.6Å; F541-L658 HydrophobicContact CG-CD1 4.32Å; I654-L658 HydrophobicContact CG2-CD1 4.02Å; I654-L658 WeakPolarHBondContact O-CB 3.49Å; I654-L658 PolarHBondContact O-N 3.38Å; L658-R662 HydrophobicContact CB-CB 4.49Å; L658-A666 HydrophobicContact CD1-CB 3.73Å
659	G	68.2	Low	73.6	Confident	31 Å²	31	25.9 Å²	25.9	32%	0.32	14%	0.136	S	C	.	.			trans	82.4	168.6	-172.3	0	0	0	0	0	112.9	V655	V655-G659 CarbonylContact O-C 3.56Å; V655-G659 WeakPolarHBondContact O-CA 3.37Å; V655-G659 PolarHBondContact O-N 2.86Å
660	L	64.1	Low	73.7	Confident	4 Å²	4	26 Å²	26	2%	0.021	14%	0.136	C	C	.	.	S	Bend	trans	-73.3	-38	-179.4	-171	73	0	0	0	112.2	D484 L487 L494 Y506 V510 V655 R662 L663	D484-L660 HydrophobicContact CB-CD1 4.04Å; D484-L660 HydrophobicContact CB-CD2 4.01Å; D484-L660 HydrophobicContact CB-CG 4.29Å; L487-L660 HydrophobicContact CB-CD1 4.05Å; L487-L660 HydrophobicContact CD1-CD1 4.38Å; L487-L660 HydrophobicContact CD2-CD1 3.8Å; L487-L660 HydrophobicContact CG-CD1 4.28Å; L494-L660 HydrophobicContact CD2-CB 3.9Å; L494-L660 HydrophobicContact CD2-CD2 3.8Å; L494-L660 HydrophobicContact CD2-CG 4.33Å; Y506-L660 WeakPolarHBondContact OH-CD2 2.94Å; V510-L660 HydrophobicContact CG1-CD2 4.28Å; V510-L660 HydrophobicContact CG2-CD2 3.91Å; V655-L660 HydrophobicContact CG1-CD1 4.22Å; V655-L660 HydrophobicContact CG2-CD1 4.47Å; L660-R662 PolarHBondContact O-N 3.12Å; L660-R662 VanDerWaalsContact O-N 3.13Å; L660-L663 HydrophobicContact CD1-CD2 4.17Å; L660-L663 WeakPolarHBondContact O-CB 3.31Å; L660-L663 PolarHBondContact O-N 2.93Å
661	D	61.9	Low	73.7	Confident	86 Å²	86	26.1 Å²	26.1	46%	0.46	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.9	-176.4	-70.4	-56.1	0	0	0	113.5	K483	K483-D661 VanDerWaalsContact CD-OD1 3.25Å; K483-D661 WeakPolarHBondContact CD-OD1 3.25Å; K483-D661 IonicContact NZ-OD1 3.85Å; K483-D661 PolarHBondContact NZ-OD1 3.22Å
662	R	68.6	Low	74.1	Confident	97 Å²	97	27.2 Å²	27.2	37%	0.366	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-3.4	-177	-65.4	-176.4	174.8	-169.6	-5	113.3	L535 L658 L660 T664 N665 A666	L535-R662 HydrophobicContact CD1-CB 4.38Å; L535-R662 HydrophobicContact CD2-CB 4.09Å; L658-R662 HydrophobicContact CB-CB 4.49Å; L660-R662 PolarHBondContact O-N 3.12Å; L660-R662 VanDerWaalsContact O-N 3.13Å; R662-T664 PolarHBondContact O-N 3.26Å; R662-N665 PolarHBondContact O-N 2.95Å; R662-A666 WeakPolarHBondContact O-CB 3.24Å; R662-A666 PolarHBondContact O-N 2.85Å
663	L	66.4	Low	74.7	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57.8	-49.5	-173.6	176.6	62.7	0	0	0	112	F486 L487 I654 V655 L660 N665 A666 F667	F486-L663 HydrophobicContact CB-CD2 4.24Å; F486-L663 HydrophobicContact CB-CG 4.28Å; L487-L663 HydrophobicContact CB-CD2 3.62Å; L487-L663 HydrophobicContact CD1-CD2 4.47Å; I654-L663 HydrophobicContact CB-CD1 3.81Å; I654-L663 HydrophobicContact CG2-CD1 3.49Å; I654-L663 VanDerWaalsContact CG2-CD1 3.49Å; V655-L663 HydrophobicContact CG2-CB 4.17Å; V655-L663 HydrophobicContact CG2-CD1 3.42Å; V655-L663 VanDerWaalsContact CG2-CD1 3.42Å; V655-L663 HydrophobicContact CG2-CD2 3.43Å; V655-L663 VanDerWaalsContact CG2-CD2 3.43Å; V655-L663 HydrophobicContact CG2-CG 3.82Å; L660-L663 HydrophobicContact CD1-CD2 4.17Å; L660-L663 WeakPolarHBondContact O-CB 3.31Å; L660-L663 PolarHBondContact O-N 2.93Å; L663-N665 PolarHBondContact O-N 3.43Å; L663-A666 PolarHBondContact O-N 2.9Å; L663-F667 WeakPolarHBondContact O-CB 3.36Å; L663-F667 PolarHBondContact O-N 2.67Å
664	T	63.1	Low	75.1	Confident	19 Å²	19	29.9 Å²	29.9	12%	0.117	15%	0.154	C	C	.	.	H	α-helix	trans	-56.7	-51.6	-176.8	-66.9	0	0	0	0	111.4	K483 F486 R662 G668	K483-T664 PolarHBondContact O-OG1 3.38Å; F486-T664 HydrophobicContact CD2-CG2 3.58Å; F486-T664 VanDerWaalsContact CD2-OG1 3.31Å; F486-T664 WeakPolarHBondContact CD2-OG1 3.32Å; F486-T664 HydrophobicContact CE2-CG2 3.36Å; F486-T664 HydrophobicContact CZ-CG2 4.5Å; R662-T664 PolarHBondContact O-N 3.26Å; T664-G668 PolarHBondContact O-N 2.98Å
665	N	70.1	Confident	75.7	Confident	27 Å²	27	29.9 Å²	29.9	14%	0.144	15%	0.154	C	C	.	.	H	α-helix	trans	-67.3	-45.5	-178.9	-67	-1.1	0	0	0	110.8	N529 V530 D532 L535 R662 L663 F667 G668 Y669	N529-N665 PolarHBondContact O-ND2 2.91Å; N529-N665 PolarHBondContact O-OD1 3.32Å; V530-N665 WeakPolarHBondContact CA-OD1 3.16Å; D532-N665 WeakPolarHBondContact CB-ND2 3.36Å; L535-N665 HydrophobicContact CD1-CB 3.17Å; R662-N665 PolarHBondContact O-N 2.95Å; L663-N665 PolarHBondContact O-N 3.43Å; N665-F667 PolarHBondContact O-N 2.97Å; N665-G668 PolarHBondContact O-N 2.86Å; N665-Y669 WeakPolarHBondContact O-CD2 3.36Å; N665-Y669 PolarHBondContact O-N 3.41Å
666	A	76.3	Confident	76.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-47.4	178.8	0	0	0	0	0	112.1	L535 F541 I654 L658 R662 L663 Y669 M670	L535-A666 HydrophobicContact CD1-CB 4.49Å; L535-A666 HydrophobicContact CD2-CB 4.1Å; F541-A666 HydrophobicContact CD2-CB 3.88Å; F541-A666 VanDerWaalsContact CE2-CA 3.5Å; F541-A666 HydrophobicContact CE2-CB 3.58Å; F541-A666 WeakPolarHBondContact CE2-O 3.41Å; I654-A666 HydrophobicContact CG2-CB 3.91Å; L658-A666 HydrophobicContact CD1-CB 3.73Å; R662-A666 WeakPolarHBondContact O-CB 3.24Å; R662-A666 PolarHBondContact O-N 2.85Å; L663-A666 PolarHBondContact O-N 2.9Å; A666-Y669 PolarHBondContact O-N 3.05Å; A666-M670 WeakPolarHBondContact O-CB 3.3Å; A666-M670 VanDerWaalsContact O-CG 3.3Å; A666-M670 WeakPolarHBondContact O-CG 3.04Å; A666-M670 PolarHBondContact O-N 3.42Å
667	F	72.6	Confident	77.6	Confident	33 Å²	33	30.2 Å²	30.2	15%	0.145	16%	0.155	C	C	.	.	H	α-helix	trans	-64.4	-42.4	179.3	-173.9	-108.8	0	0	0	111.6	F486 T651 I654 L663 N665 M670 L671	F486-F667 HydrophobicContact CB-CB 4.5Å; F486-F667 HydrophobicContact CB-CD1 4Å; F486-F667 HydrophobicContact CB-CG 4.42Å; F486-F667 AromaticContact CD1-CD1 3.44Å; F486-F667 HydrophobicContact CD1-CD1 3.44Å; F486-F667 VanDerWaalsContact CD1-CD1 3.44Å; F486-F667 AromaticContact CD1-CE1 3.73Å; F486-F667 HydrophobicContact CD1-CE1 3.73Å; F486-F667 HydrophobicContact CE1-CD1 4.18Å; F486-F667 HydrophobicContact CE1-CE1 4.42Å; F486-F667 AromaticContact CG-CD1 3.9Å; F486-F667 HydrophobicContact CG-CD1 3.9Å; T651-F667 HydrophobicContact CG2-CD2 4.11Å; T651-F667 HydrophobicContact CG2-CE2 3.53Å; T651-F667 HydrophobicContact CG2-CZ 4.11Å; I654-F667 HydrophobicContact CD1-CD2 3.94Å; L663-F667 WeakPolarHBondContact O-CB 3.36Å; L663-F667 PolarHBondContact O-N 2.67Å; N665-F667 PolarHBondContact O-N 2.97Å; F667-M670 PolarHBondContact O-N 3Å; F667-L671 HydrophobicContact CD1-CD1 3.62Å; F667-L671 HydrophobicContact CD1-CG 4.39Å; F667-L671 HydrophobicContact CE1-CD1 3.31Å; F667-L671 HydrophobicContact CE1-CG 4.1Å; F667-L671 HydrophobicContact CG-CD1 4.4Å; F667-L671 HydrophobicContact CZ-CD1 3.83Å; F667-L671 HydrophobicContact CZ-CD2 4.3Å; F667-L671 HydrophobicContact CZ-CG 4.16Å; F667-L671 WeakPolarHBondContact O-CG 3.34Å; F667-L671 PolarHBondContact O-N 3.22Å
668	G	74.2	Confident	78.3	Confident	11 Å²	11	29.2 Å²	29.2	11%	0.113	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-46.3	175.2	0	0	0	0	0	113.2	T664 N665 L671 L672	T664-G668 PolarHBondContact O-N 2.98Å; N665-G668 PolarHBondContact O-N 2.86Å; G668-L671 PolarHBondContact O-N 3.44Å; G668-L672 WeakPolarHBondContact O-CB 3.48Å; G668-L672 PolarHBondContact O-N 2.83Å
669	Y	79.8	Confident	79.2	Confident	14 Å²	14	29.7 Å²	29.7	6%	0.055	15%	0.152	C	C	.	.	H	α-helix	trans	-64.6	-41.2	174.7	-82.3	-60.9	0	0	0	112.9	L531 D532 L536 F541 N665 A666 L672 F673	L531-Y669 WeakPolarHBondContact CA-OH 3.4Å; L531-Y669 HydrophobicContact CD2-CE1 3.69Å; L531-Y669 PolarHBondContact O-OH 3.38Å; D532-Y669 VanDerWaalsContact C-OH 3.29Å; D532-Y669 PolarHBondContact N-OH 2.96Å; D532-Y669 WeakPolarHBondContact O-CE2 3.33Å; D532-Y669 PolarHBondContact O-OH 3.34Å; L536-Y669 HydrophobicContact CD1-CE1 4.16Å; F541-Y669 HydrophobicContact CZ-CD2 4.39Å; F541-Y669 HydrophobicContact CZ-CG 4.3Å; N665-Y669 WeakPolarHBondContact O-CD2 3.36Å; N665-Y669 PolarHBondContact O-N 3.41Å; A666-Y669 PolarHBondContact O-N 3.05Å; Y669-L672 WeakPolarHBondContact O-CB 3.48Å; Y669-L672 PolarHBondContact O-N 3.44Å; Y669-F673 HydrophobicContact CD1-CZ 4.21Å; Y669-F673 WeakPolarHBondContact O-CD2 3.47Å; Y669-F673 VanDerWaalsContact O-CG 3.31Å; Y669-F673 WeakPolarHBondContact O-CG 3.48Å; Y669-F673 PolarHBondContact O-N 3.4Å
670	M	83	Confident	80.5	Confident	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-61.5	-45	177.1	-77	171.6	69.3	0	0	111.5	F541 L544 S548 R650 I654 A666 F667 L672 F673 Q674	F541-M670 HydrophobicContact CE2-CG 3.87Å; F541-M670 HydrophobicContact CE2-SD 4.24Å; F541-M670 HydrophobicContact CZ-CG 4.24Å; L544-M670 HydrophobicContact CD1-CE 4.45Å; L544-M670 HydrophobicContact CD2-CE 4.21Å; L544-M670 HydrophobicContact CD2-SD 4.01Å; L544-M670 HydrophobicContact CG-CE 3.87Å; L544-M670 HydrophobicContact CG-SD 4.09Å; S548-M670 WeakPolarHBondContact OG-CE 3.48Å; R650-M670 HydrophobicContact CG-CE 3.96Å; I654-M670 HydrophobicContact CD1-CE 3.74Å; I654-M670 HydrophobicContact CD1-SD 3.39Å; I654-M670 WeakPolarHBondContact CD1-SD 3.35Å; I654-M670 HydrophobicContact CG1-CE 4.09Å; I654-M670 HydrophobicContact CG1-SD 3.72Å; A666-M670 WeakPolarHBondContact O-CB 3.3Å; A666-M670 VanDerWaalsContact O-CG 3.3Å; A666-M670 WeakPolarHBondContact O-CG 3.04Å; A666-M670 PolarHBondContact O-N 3.42Å; F667-M670 PolarHBondContact O-N 3Å; M670-L672 VanDerWaalsContact C-N 3.33Å; M670-L672 PolarHBondContact O-N 2.87Å; M670-F673 PolarHBondContact O-N 3.44Å; M670-Q674 VanDerWaalsContact O-CB 3.3Å; M670-Q674 WeakPolarHBondContact O-CB 3.36Å; M670-Q674 WeakPolarHBondContact O-CG 3.42Å; M670-Q674 PolarHBondContact O-N 3.04Å
671	L	82.5	Confident	82	Confident	13 Å²	13	30.3 Å²	30.3	7%	0.068	16%	0.158	C	C	.	.	H	α-helix	trans	-59.1	-44.6	174	-75.8	166.4	0	0	0	111.4	F124 F667 G668 F673 Q674 A675	F124-L671 HydrophobicContact CD1-CD2 3.47Å; F124-L671 VanDerWaalsContact CD1-CD2 3.47Å; F124-L671 HydrophobicContact CE1-CD2 3.63Å; F124-L671 HydrophobicContact CG-CD2 4.38Å; F667-L671 HydrophobicContact CD1-CD1 3.62Å; F667-L671 HydrophobicContact CD1-CG 4.39Å; F667-L671 HydrophobicContact CE1-CD1 3.31Å; F667-L671 HydrophobicContact CE1-CG 4.1Å; F667-L671 HydrophobicContact CG-CD1 4.4Å; F667-L671 HydrophobicContact CZ-CD1 3.83Å; F667-L671 HydrophobicContact CZ-CD2 4.3Å; F667-L671 HydrophobicContact CZ-CG 4.16Å; F667-L671 WeakPolarHBondContact O-CG 3.34Å; F667-L671 PolarHBondContact O-N 3.22Å; G668-L671 PolarHBondContact O-N 3.44Å; L671-F673 PolarHBondContact O-N 3.31Å; L671-Q674 PolarHBondContact O-N 3.31Å; L671-A675 WeakPolarHBondContact O-CB 3.28Å; L671-A675 PolarHBondContact O-N 3.41Å
672	L	84.5	Confident	83.6	Confident	34 Å²	34	26.2 Å²	26.2	18%	0.178	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-45.3	177.7	-179.7	63.7	0	0	0	112.1	M125 G668 Y669 M670 A675 F676	M125-L672 HydrophobicContact CG-CD1 3.88Å; G668-L672 WeakPolarHBondContact O-CB 3.48Å; G668-L672 PolarHBondContact O-N 2.83Å; Y669-L672 WeakPolarHBondContact O-CB 3.48Å; Y669-L672 PolarHBondContact O-N 3.44Å; M670-L672 VanDerWaalsContact C-N 3.33Å; M670-L672 PolarHBondContact O-N 2.87Å; L672-A675 VanDerWaalsContact O-CB 3.27Å; L672-A675 WeakPolarHBondContact O-CB 3.38Å; L672-A675 PolarHBondContact O-N 2.82Å; L672-F676 HydrophobicContact CD1-CE2 3.95Å; L672-F676 HydrophobicContact CD1-CZ 4.48Å; L672-F676 HydrophobicContact CG-CE2 4.05Å; L672-F676 WeakPolarHBondContact O-CD2 3.27Å; L672-F676 PolarHBondContact O-N 3.14Å
673	F	89.3	Confident	84.8	Confident	63 Å²	63	22.3 Å²	22.3	28%	0.276	12%	0.123	S	C	.	.	H	α-helix	trans	-69.4	-38.3	177.9	-61.1	-36.6	0	0	0	112.5	L536 F541 V549 Y669 M670 L671 A675 F676 A677	L536-F673 HydrophobicContact CD2-CE2 3.92Å; L536-F673 HydrophobicContact CD2-CZ 3.77Å; F541-F673 HydrophobicContact CE1-CE2 4.45Å; V549-F673 HydrophobicContact CG2-CB 3.74Å; Y669-F673 HydrophobicContact CD1-CZ 4.21Å; Y669-F673 WeakPolarHBondContact O-CD2 3.47Å; Y669-F673 VanDerWaalsContact O-CG 3.31Å; Y669-F673 WeakPolarHBondContact O-CG 3.48Å; Y669-F673 PolarHBondContact O-N 3.4Å; M670-F673 PolarHBondContact O-N 3.44Å; L671-F673 PolarHBondContact O-N 3.31Å; F673-A675 VanDerWaalsContact C-N 3.25Å; F673-A675 PolarHBondContact O-N 2.83Å; F673-F676 PolarHBondContact O-N 2.87Å; F673-A677 PolarHBondContact O-N 3.41Å
674	Q	91.1	Very high	86.3	Confident	18 Å²	18	25 Å²	25	8%	0.084	15%	0.145	C	C	.	.	H	α-helix	trans	-61.3	-35.2	172.3	-73.6	172.8	25.2	0	0	111.7	M552 M670 L671 A677 Y678	M552-Q674 HydrophobicContact CB-CB 4.29Å; M552-Q674 HydrophobicContact CB-CG 4.2Å; M552-Q674 HydrophobicContact CE-CB 3.89Å; M552-Q674 HydrophobicContact CE-CG 4.02Å; M552-Q674 HydrophobicContact CG-CB 4.1Å; M552-Q674 HydrophobicContact CG-CG 4.48Å; M670-Q674 VanDerWaalsContact O-CB 3.3Å; M670-Q674 WeakPolarHBondContact O-CB 3.36Å; M670-Q674 WeakPolarHBondContact O-CG 3.42Å; M670-Q674 PolarHBondContact O-N 3.04Å; L671-Q674 PolarHBondContact O-N 3.31Å; Q674-A677 WeakPolarHBondContact O-CB 3.33Å; Q674-A677 PolarHBondContact O-N 3.37Å; Q674-Y678 PolarHBondContact O-N 3.43Å
675	A	92.9	Very high	87.9	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.2	-50.2	177.1	0	0	0	0	0	111.9	G121 F124 M125 L671 L672 F673 A677 Y678 I679	G121-A675 WeakPolarHBondContact O-CB 3.4Å; F124-A675 HydrophobicContact CB-CB 3.67Å; M125-A675 HydrophobicContact CB-CB 3.92Å; L671-A675 WeakPolarHBondContact O-CB 3.28Å; L671-A675 PolarHBondContact O-N 3.41Å; L672-A675 VanDerWaalsContact O-CB 3.27Å; L672-A675 WeakPolarHBondContact O-CB 3.38Å; L672-A675 PolarHBondContact O-N 2.82Å; F673-A675 VanDerWaalsContact C-N 3.25Å; F673-A675 PolarHBondContact O-N 2.83Å; A675-A677 VanDerWaalsContact C-N 3.27Å; A675-A677 PolarHBondContact O-N 3.31Å; A675-Y678 PolarHBondContact O-N 2.87Å; A675-Y678 VanDerWaalsContact O-N 3.15Å; A675-I679 WeakPolarHBondContact O-CG1 3.5Å; A675-I679 PolarHBondContact O-N 2.94Å
676	F	92.7	Very high	89	Confident	123 Å²	123	23.3 Å²	23.3	54%	0.539	14%	0.135	S	C	.	.	H	α-helix	trans	-60.2	-39.2	177.4	-69.6	-68.5	0	0	0	112.2	M125 L672 F673 Y678 I679 G680	M125-F676 HydrophobicContact SD-CE1 4.22Å; M125-F676 HydrophobicContact SD-CZ 4.23Å; L672-F676 HydrophobicContact CD1-CE2 3.95Å; L672-F676 HydrophobicContact CD1-CZ 4.48Å; L672-F676 HydrophobicContact CG-CE2 4.05Å; L672-F676 WeakPolarHBondContact O-CD2 3.27Å; L672-F676 PolarHBondContact O-N 3.14Å; F673-F676 PolarHBondContact O-N 2.87Å; F676-Y678 VanDerWaalsContact C-N 3.35Å; F676-I679 PolarHBondContact O-N 3.44Å; F676-G680 PolarHBondContact O-N 3.14Å; F676-G680 VanDerWaalsContact O-N 3.15Å
677	A	93.7	Very high	90	Very high	12 Å²	12	25.1 Å²	25.1	10%	0.099	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-45.7	175.9	0	0	0	0	0	111.3	V549 M552 I553 F673 Q674 A675 G680 A681	V549-A677 HydrophobicContact CB-CB 4.47Å; V549-A677 HydrophobicContact CG1-CB 3.83Å; M552-A677 HydrophobicContact CB-CB 4.2Å; M552-A677 HydrophobicContact CG-CB 4.42Å; I553-A677 HydrophobicContact CG1-CB 4.09Å; F673-A677 PolarHBondContact O-N 3.41Å; Q674-A677 WeakPolarHBondContact O-CB 3.33Å; Q674-A677 PolarHBondContact O-N 3.37Å; A675-A677 VanDerWaalsContact C-N 3.27Å; A675-A677 PolarHBondContact O-N 3.31Å; A677-G680 PolarHBondContact O-N 3.34Å; A677-A681 WeakPolarHBondContact O-CB 3.2Å; A677-A681 PolarHBondContact O-N 3.48Å
678	Y	93	Very high	91.1	Very high	1 Å²	1	25.6 Å²	25.6	0%	0.004	15%	0.153	C	C	.	.	H	α-helix	trans	-73.6	-30.4	-178.2	-152.2	-80.1	0	0	0	113.3	S117 T120 M552 Y555 C556 Q560 Q674 A675 F676 P682	S117-Y678 WeakPolarHBondContact CB-O 3.06Å; T120-Y678 HydrophobicContact CG2-CD1 3.62Å; T120-Y678 HydrophobicContact CG2-CD2 4.3Å; T120-Y678 HydrophobicContact CG2-CE1 3.44Å; T120-Y678 VanDerWaalsContact CG2-CE1 3.44Å; T120-Y678 HydrophobicContact CG2-CE2 4.13Å; T120-Y678 HydrophobicContact CG2-CG 4.04Å; M552-Y678 HydrophobicContact CG-CD2 3.77Å; M552-Y678 HydrophobicContact CG-CG 4.46Å; M552-Y678 HydrophobicContact SD-CD2 3.54Å; M552-Y678 VanDerWaalsContact SD-CD2 3.54Å; M552-Y678 HydrophobicContact SD-CE2 4.1Å; Y555-Y678 HydrophobicContact CD1-CE2 4.24Å; C556-Y678 HydrophobicContact CB-CD2 4.12Å; C556-Y678 HydrophobicContact CB-CE2 3.5Å; Q560-Y678 PolarHBondContact NE2-OH 2.82Å; Q674-Y678 PolarHBondContact O-N 3.43Å; A675-Y678 PolarHBondContact O-N 2.87Å; A675-Y678 VanDerWaalsContact O-N 3.15Å; F676-Y678 VanDerWaalsContact C-N 3.35Å; Y678-P682 HydrophobicContact CE1-CG 4.44Å; Y678-P682 WeakPolarHBondContact O-CD 3.48Å; Y678-P682 WeakPolarHBondContact O-CG 3.36Å
679	I	95.5	Very high	92.1	Very high	36 Å²	36	26.8 Å²	26.8	19%	0.185	16%	0.155	C	C	.	.	H	α-helix	trans	-65.1	-43	172.5	-67.7	171	0	0	0	110.2	L118 F122 M125 A675 F676 P683	L118-I679 HydrophobicContact CD2-CG2 3.86Å; F122-I679 HydrophobicContact CD2-CD1 4.23Å; F122-I679 HydrophobicContact CE2-CD1 4.16Å; M125-I679 HydrophobicContact CE-CD1 4.3Å; A675-I679 WeakPolarHBondContact O-CG1 3.5Å; A675-I679 PolarHBondContact O-N 2.94Å; F676-I679 PolarHBondContact O-N 3.44Å; I679-P683 VanDerWaalsContact O-CD 3.28Å; I679-P683 WeakPolarHBondContact O-CD 3.28Å; I679-P683 WeakPolarHBondContact O-CG 3.47Å
680	G	94.8	Very high	92.7	Very high	40 Å²	40	27.9 Å²	27.9	41%	0.412	16%	0.161	S	C	.	.	H	α-helix	trans	-84.4	-36.8	-174.5	0	0	0	0	0	115.2	F676 A677 P683 A684	F676-G680 PolarHBondContact O-N 3.14Å; F676-G680 VanDerWaalsContact O-N 3.15Å; A677-G680 PolarHBondContact O-N 3.34Å; G680-P683 WeakPolarHBondContact O-CD 3.11Å; G680-A684 VanDerWaalsContact O-CB 3.29Å; G680-A684 WeakPolarHBondContact O-CB 3.31Å; G680-A684 PolarHBondContact O-N 3.5Å; G680-A684 VanDerWaalsContact O-N 3.07Å
681	A	95.6	Very high	93.3	Very high	8 Å²	8	37.6 Å²	37.6	7%	0.066	20%	0.198	C	C	.	.	H	α-helix	trans	-64.7	-48.8	-168.9	0	0	0	0	0	113.9	I553 A677 A684 F685	I553-A681 HydrophobicContact CB-CB 4.26Å; I553-A681 HydrophobicContact CG1-CB 4.18Å; I553-A681 HydrophobicContact CG2-CB 4.03Å; A677-A681 WeakPolarHBondContact O-CB 3.2Å; A677-A681 PolarHBondContact O-N 3.48Å; A681-A684 WeakPolarHBondContact O-CB 3.4Å; A681-A684 PolarHBondContact O-N 2.98Å; A681-F685 HydrophobicContact CB-CD2 4.43Å; A681-F685 HydrophobicContact CB-CE2 4.15Å; A681-F685 WeakPolarHBondContact O-CD2 3.36Å; A681-F685 WeakPolarHBondContact O-CG 3.24Å; A681-F685 PolarHBondContact O-N 3.47Å
682	P	95	Very high	93.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-39.3	-177.5	-17.7	31.3	0	0	0	114.9	T113 C556 Y678 F685 G686	T113-P682 PolarHBondContact OG1-O 3.01Å; T113-P682 VanDerWaalsContact OG1-O 3.1Å; C556-P682 HydrophobicContact CB-CG 4.18Å; Y678-P682 HydrophobicContact CE1-CG 4.44Å; Y678-P682 WeakPolarHBondContact O-CD 3.48Å; Y678-P682 WeakPolarHBondContact O-CG 3.36Å; P682-F685 PolarHBondContact O-N 3.24Å; P682-G686 PolarHBondContact O-N 3.04Å
683	P	95.3	Very high	94.2	Very high	14 Å²	14	46.3 Å²	46.3	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-62.4	-40.7	169.4	-25.5	35.7	0	0	0	112.6	M110 T113 L114 I679 G680 F685 G686 A687	M110-P683 HydrophobicContact CG-CB 4.14Å; M110-P683 WeakPolarHBondContact CG-O 3.06Å; T113-P683 WeakPolarHBondContact OG1-CA 3.31Å; L114-P683 HydrophobicContact CD2-CB 3.98Å; L114-P683 HydrophobicContact CD2-CG 3.41Å; L114-P683 VanDerWaalsContact CD2-CG 3.41Å; L114-P683 HydrophobicContact CG-CB 4.3Å; L114-P683 HydrophobicContact CG-CG 3.93Å; I679-P683 VanDerWaalsContact O-CD 3.28Å; I679-P683 WeakPolarHBondContact O-CD 3.28Å; I679-P683 WeakPolarHBondContact O-CG 3.47Å; G680-P683 WeakPolarHBondContact O-CD 3.11Å; P683-F685 PolarHBondContact O-N 3.26Å; P683-G686 PolarHBondContact O-N 2.87Å; P683-A687 WeakPolarHBondContact O-CB 3.39Å; P683-A687 PolarHBondContact O-N 3.5Å
684	A	96.4	Very high	94.3	Very high	56 Å²	56	46.1 Å²	46.1	46%	0.463	24%	0.236	S	C	.	.	H	α-helix	trans	-60.9	-45.5	176.5	0	0	0	0	0	111.7	G680 A681 A687 M688	G680-A684 VanDerWaalsContact O-CB 3.29Å; G680-A684 WeakPolarHBondContact O-CB 3.31Å; G680-A684 PolarHBondContact O-N 3.5Å; G680-A684 VanDerWaalsContact O-N 3.07Å; A681-A684 WeakPolarHBondContact O-CB 3.4Å; A681-A684 PolarHBondContact O-N 2.98Å; A684-A687 PolarHBondContact O-N 3.08Å; A684-M688 WeakPolarHBondContact O-CG 3.21Å; A684-M688 PolarHBondContact O-N 2.9Å
685	F	96.8	Very high	94.4	Very high	11 Å²	11	45.3 Å²	45.3	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-37.6	174.1	-68.6	-46	0	0	0	112.7	I553 V557 F561 A681 P682 P683 A687 M688 Y689 I698 L701	I553-F685 HydrophobicContact CG2-CE2 4.03Å; I553-F685 HydrophobicContact CG2-CZ 3.83Å; I553-F685 WeakPolarHBondContact O-CE2 3.41Å; V557-F685 HydrophobicContact CG2-CD2 3.77Å; V557-F685 HydrophobicContact CG2-CE2 3.43Å; V557-F685 VanDerWaalsContact CG2-CE2 3.43Å; V557-F685 HydrophobicContact CG2-CZ 3.99Å; F561-F685 HydrophobicContact CE2-CB 3.63Å; F561-F685 HydrophobicContact CE2-CD2 4.24Å; F561-F685 HydrophobicContact CE2-CG 4.34Å; F561-F685 HydrophobicContact CZ-CB 3.81Å; A681-F685 HydrophobicContact CB-CD2 4.43Å; A681-F685 HydrophobicContact CB-CE2 4.15Å; A681-F685 WeakPolarHBondContact O-CD2 3.36Å; A681-F685 WeakPolarHBondContact O-CG 3.24Å; A681-F685 PolarHBondContact O-N 3.47Å; P682-F685 PolarHBondContact O-N 3.24Å; P683-F685 PolarHBondContact O-N 3.26Å; F685-A687 VanDerWaalsContact C-N 3.33Å; F685-A687 PolarHBondContact O-N 3.2Å; F685-M688 HydrophobicContact CD1-SD 3.88Å; F685-M688 HydrophobicContact CE1-SD 4.38Å; F685-M688 WeakPolarHBondContact O-CB 3.5Å; F685-M688 PolarHBondContact O-N 3.25Å; F685-Y689 PolarHBondContact O-N 3.34Å; F685-I698 HydrophobicContact CB-CB 4.45Å; F685-I698 HydrophobicContact CB-CD1 4.21Å; F685-I698 HydrophobicContact CB-CG1 3.98Å; F685-I698 HydrophobicContact CB-CG2 3.74Å; F685-I698 HydrophobicContact CD1-CB 4.19Å; F685-I698 HydrophobicContact CD1-CG1 4.07Å; F685-I698 HydrophobicContact CD1-CG2 3.81Å; F685-I698 HydrophobicContact CD2-CG2 4.23Å; F685-I698 HydrophobicContact CE1-CG2 4.47Å; F685-I698 HydrophobicContact CG-CB 4.46Å; F685-I698 HydrophobicContact CG-CG1 4.35Å; F685-I698 HydrophobicContact CG-CG2 3.68Å; F685-I698 WeakPolarHBondContact O-CD1 3.37Å; F685-L701 HydrophobicContact CE1-CB 4.01Å
686	G	94.4	Very high	94.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-45.7	172.6	0	0	0	0	0	111.8	P682 P683 M688 Y689 D690	P682-G686 PolarHBondContact O-N 3.04Å; P683-G686 PolarHBondContact O-N 2.87Å; G686-M688 VanDerWaalsContact C-N 3.31Å; G686-M688 PolarHBondContact O-N 3.43Å; G686-Y689 CarbonylContact O-C 3.6Å; G686-Y689 WeakPolarHBondContact O-CA 3.13Å; G686-Y689 WeakPolarHBondContact O-CB 3.45Å; G686-Y689 PolarHBondContact O-N 2.85Å; G686-Y689 VanDerWaalsContact O-N 3.08Å; G686-D690 VanDerWaalsContact O-CG 3.3Å; G686-D690 PolarHBondContact O-N 2.84Å; G686-D690 VanDerWaalsContact O-OD2 3.07Å
687	A	96.3	Very high	94.7	Very high	38 Å²	38	45.1 Å²	45.1	31%	0.314	24%	0.237	S	C	.	.	H	α-helix	trans	-63.6	-35.7	176.2	0	0	0	0	0	112.4	M110 P683 A684 F685 D690 R691	M110-A687 HydrophobicContact CB-CB 4.06Å; M110-A687 HydrophobicContact CG-CB 4.09Å; M110-A687 HydrophobicContact SD-CB 3.94Å; P683-A687 WeakPolarHBondContact O-CB 3.39Å; P683-A687 PolarHBondContact O-N 3.5Å; A684-A687 PolarHBondContact O-N 3.08Å; F685-A687 VanDerWaalsContact C-N 3.33Å; F685-A687 PolarHBondContact O-N 3.2Å; A687-D690 PolarHBondContact O-N 3.01Å; A687-R691 PolarHBondContact O-N 3.08Å
688	M	96.1	Very high	94.8	Very high	43 Å²	43	44.6 Å²	44.6	21%	0.212	23%	0.232	C	C	.	.	H	α-helix	trans	-63.1	-43.9	171.4	-70.2	179.9	74.3	0	0	111.6	A684 F685 G686 D690 R691 F692 L697 I698 L701	A684-M688 WeakPolarHBondContact O-CG 3.21Å; A684-M688 PolarHBondContact O-N 2.9Å; F685-M688 HydrophobicContact CD1-SD 3.88Å; F685-M688 HydrophobicContact CE1-SD 4.38Å; F685-M688 WeakPolarHBondContact O-CB 3.5Å; F685-M688 PolarHBondContact O-N 3.25Å; G686-M688 VanDerWaalsContact C-N 3.31Å; G686-M688 PolarHBondContact O-N 3.43Å; M688-D690 VanDerWaalsContact C-N 3.33Å; M688-D690 PolarHBondContact O-N 3.48Å; M688-R691 PolarHBondContact O-N 3.41Å; M688-F692 HydrophobicContact CB-CD2 4.37Å; M688-F692 WeakPolarHBondContact O-CB 3.33Å; M688-F692 VanDerWaalsContact O-CD2 3.25Å; M688-F692 WeakPolarHBondContact O-CD2 3.35Å; M688-F692 PolarHBondContact O-N 3.03Å; M688-L697 HydrophobicContact CE-CB 3.75Å; M688-L697 HydrophobicContact CE-CD1 4.43Å; M688-I698 HydrophobicContact CB-CG1 4.26Å; M688-L701 HydrophobicContact CE-CD1 3.35Å; M688-L701 HydrophobicContact CE-CG 4.39Å; M688-L701 HydrophobicContact SD-CD1 3.75Å
689	Y	94.3	Very high	95.1	Very high	36 Å²	36	44.5 Å²	44.5	14%	0.141	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-42.9	173.9	-178.7	-99.3	0	0	0	111.1	K109 F685 G686 R691 F692 K693 F695	K109-Y689 HydrophobicContact CB-CD1 3.96Å; K109-Y689 HydrophobicContact CD-CD1 3.64Å; K109-Y689 HydrophobicContact CD-CE1 4.09Å; K109-Y689 HydrophobicContact CD-CG 4.11Å; K109-Y689 HydrophobicContact CG-CD1 4.23Å; F685-Y689 PolarHBondContact O-N 3.34Å; G686-Y689 CarbonylContact O-C 3.6Å; G686-Y689 WeakPolarHBondContact O-CA 3.13Å; G686-Y689 WeakPolarHBondContact O-CB 3.45Å; G686-Y689 PolarHBondContact O-N 2.85Å; G686-Y689 VanDerWaalsContact O-N 3.08Å; Y689-R691 PolarHBondContact O-N 3.42Å; Y689-F692 PolarHBondContact O-N 3.25Å; Y689-K693 HydrophobicContact CE1-CD 4.45Å; Y689-K693 WeakPolarHBondContact O-CA 3.42Å; Y689-K693 PolarHBondContact O-N 3.14Å; Y689-F695 AromaticContact CD2-CD1 3.77Å; Y689-F695 HydrophobicContact CD2-CD1 3.77Å; Y689-F695 HydrophobicContact CD2-CD2 4.14Å; Y689-F695 AromaticContact CD2-CE1 3.49Å; Y689-F695 HydrophobicContact CD2-CE1 3.49Å; Y689-F695 VanDerWaalsContact CD2-CE1 3.49Å; Y689-F695 AromaticContact CD2-CE2 3.89Å; Y689-F695 HydrophobicContact CD2-CE2 3.89Å; Y689-F695 HydrophobicContact CD2-CG 4.07Å; Y689-F695 AromaticContact CD2-CZ 3.54Å; Y689-F695 HydrophobicContact CD2-CZ 3.54Å; Y689-F695 HydrophobicContact CE1-CZ 4.36Å; Y689-F695 HydrophobicContact CE2-CD1 4.23Å; Y689-F695 AromaticContact CE2-CD2 3.8Å; Y689-F695 HydrophobicContact CE2-CD2 3.8Å; Y689-F695 AromaticContact CE2-CE1 3.8Å; Y689-F695 HydrophobicContact CE2-CE1 3.8Å; Y689-F695 AromaticContact CE2-CE2 3.32Å; Y689-F695 HydrophobicContact CE2-CE2 3.32Å; Y689-F695 HydrophobicContact CE2-CG 4.21Å; Y689-F695 AromaticContact CE2-CZ 3.31Å; Y689-F695 HydrophobicContact CE2-CZ 3.31Å; Y689-F695 AromaticContact CG-CE1 3.97Å; Y689-F695 HydrophobicContact CG-CE1 3.97Å; Y689-F695 HydrophobicContact CG-CZ 4.16Å; Y689-F695 AromaticContact CZ-CE2 3.92Å; Y689-F695 AromaticContact CZ-CZ 3.74Å
690	D	93.9	Very high	95.2	Very high	37 Å²	37	45.7 Å²	45.7	20%	0.198	24%	0.238	C	C	.	.	H	α-helix	trans	-59.6	-35	178	-67.9	-43.3	0	0	0	112.2	S108 K109 M110 G686 A687 M688 K693	S108-D690 WeakPolarHBondContact CB-OD2 3.35Å; K109-D690 WeakPolarHBondContact CB-OD1 3.39Å; K109-D690 VanDerWaalsContact N-CG 3.35Å; K109-D690 PolarHBondContact N-OD1 3.24Å; K109-D690 PolarHBondContact N-OD2 3.17Å; M110-D690 WeakPolarHBondContact CB-OD2 3.44Å; M110-D690 PolarHBondContact N-OD2 3.03Å; G686-D690 VanDerWaalsContact O-CG 3.3Å; G686-D690 PolarHBondContact O-N 2.84Å; G686-D690 VanDerWaalsContact O-OD2 3.07Å; A687-D690 PolarHBondContact O-N 3.01Å; M688-D690 VanDerWaalsContact C-N 3.33Å; M688-D690 PolarHBondContact O-N 3.48Å; D690-K693 VanDerWaalsContact O-CE 3.28Å; D690-K693 WeakPolarHBondContact O-CE 3.4Å; D690-K693 IonicContact OD1-NZ 3.43Å
691	R	95	Very high	95.3	Very high	207 Å²	207	47.7 Å²	47.7	78%	0.781	24%	0.239	S	C	*	.	H	α-helix	trans	-80.6	-45.1	178.5	-177.2	57.9	178.3	-176.5	1.7	114.1	A687 M688 Y689	A687-R691 PolarHBondContact O-N 3.08Å; M688-R691 PolarHBondContact O-N 3.41Å; Y689-R691 PolarHBondContact O-N 3.42Å
692	F	94.1	Very high	95.4	Very high	117 Å²	117	47.3 Å²	47.3	51%	0.513	24%	0.235	S	C	.	.	H	α-helix	trans	-100.8	-14.6	-171.1	-64.3	-70.8	0	0	0	114	M688 Y689 N694 L697	M688-F692 HydrophobicContact CB-CD2 4.37Å; M688-F692 WeakPolarHBondContact O-CB 3.33Å; M688-F692 VanDerWaalsContact O-CD2 3.25Å; M688-F692 WeakPolarHBondContact O-CD2 3.35Å; M688-F692 PolarHBondContact O-N 3.03Å; Y689-F692 PolarHBondContact O-N 3.25Å; F692-N694 PolarHBondContact O-N 2.74Å; F692-N694 VanDerWaalsContact O-N 3.14Å; F692-L697 HydrophobicContact CB-CD1 4.34Å; F692-L697 HydrophobicContact CD1-CD1 4.03Å; F692-L697 HydrophobicContact CD2-CD1 3.56Å; F692-L697 HydrophobicContact CE1-CD1 4.2Å; F692-L697 HydrophobicContact CE2-CD1 3.76Å; F692-L697 HydrophobicContact CG-CD1 3.72Å; F692-L697 HydrophobicContact CZ-CD1 4.07Å
693	K	91.4	Very high	95.5	Very high	112 Å²	112	47.3 Å²	47.3	49%	0.487	24%	0.235	S	C	.	.	S	Bend	trans	51	32.4	-176.5	-59.8	-64.2	-179	-174.5	0	113.7	Q568 Y689 D690	Q568-K693 PolarHBondContact NE2-O 3.46Å; Q568-K693 VanDerWaalsContact NE2-O 3.11Å; Y689-K693 HydrophobicContact CE1-CD 4.45Å; Y689-K693 WeakPolarHBondContact O-CA 3.42Å; Y689-K693 PolarHBondContact O-N 3.14Å; D690-K693 VanDerWaalsContact O-CE 3.28Å; D690-K693 WeakPolarHBondContact O-CE 3.4Å; D690-K693 IonicContact OD1-NZ 3.43Å
694	N	91.8	Very high	95.7	Very high	59 Å²	59	50 Å²	50	32%	0.316	25%	0.249	S	C	.	.			trans	-146.6	134.8	-179.6	-173.2	-12.4	0	0	0	109.9	F692 N696	F692-N694 PolarHBondContact O-N 2.74Å; F692-N694 VanDerWaalsContact O-N 3.14Å; N694-N696 VanDerWaalsContact C-N 3.33Å; N694-N696 PolarHBondContact ND2-ND2 2.87Å; N694-N696 VanDerWaalsContact ND2-ND2 3.16Å; N694-N696 WeakPolarHBondContact OD1-CB 3.42Å; N694-N696 PolarHBondContact OD1-N 3.04Å; N694-N696 PolarHBondContact OD1-ND2 3.23Å; N694-N696 PolarHBondContact OD1-OD1 2.99Å
695	F	93.9	Very high	95.7	Very high	1 Å²	1	48 Å²	48	0%	0.004	23%	0.231	C	C	.	.	S	Bend	trans	-77.6	-13.4	176.2	-65.7	-72.6	0	0	0	114.3	K109 F561 D564 N565 Q568 Y689 L697 I698 F699	K109-F695 HydrophobicContact CD-CE1 4.31Å; K109-F695 HydrophobicContact CD-CZ 4.43Å; F561-F695 HydrophobicContact CB-CD1 3.98Å; F561-F695 HydrophobicContact CB-CE1 4.15Å; F561-F695 HydrophobicContact CD1-CD1 4.25Å; F561-F695 AromaticContact CD1-CE1 3.8Å; F561-F695 HydrophobicContact CD1-CE1 3.8Å; F561-F695 HydrophobicContact CG-CD1 4.36Å; F561-F695 HydrophobicContact CG-CE1 4.32Å; D564-F695 HydrophobicContact CB-CE1 4.15Å; D564-F695 HydrophobicContact CB-CE2 3.81Å; D564-F695 HydrophobicContact CB-CZ 3.42Å; D564-F695 VanDerWaalsContact CB-CZ 3.42Å; N565-F695 HydrophobicContact CB-CB 4.16Å; N565-F695 HydrophobicContact CB-CD2 3.88Å; N565-F695 HydrophobicContact CB-CG 4.09Å; Q568-F695 HydrophobicContact CB-CD2 4.48Å; Q568-F695 HydrophobicContact CB-CE2 4.4Å; Y689-F695 AromaticContact CD2-CD1 3.77Å; Y689-F695 HydrophobicContact CD2-CD1 3.77Å; Y689-F695 HydrophobicContact CD2-CD2 4.14Å; Y689-F695 AromaticContact CD2-CE1 3.49Å; Y689-F695 HydrophobicContact CD2-CE1 3.49Å; Y689-F695 VanDerWaalsContact CD2-CE1 3.49Å; Y689-F695 AromaticContact CD2-CE2 3.89Å; Y689-F695 HydrophobicContact CD2-CE2 3.89Å; Y689-F695 HydrophobicContact CD2-CG 4.07Å; Y689-F695 AromaticContact CD2-CZ 3.54Å; Y689-F695 HydrophobicContact CD2-CZ 3.54Å; Y689-F695 HydrophobicContact CE1-CZ 4.36Å; Y689-F695 HydrophobicContact CE2-CD1 4.23Å; Y689-F695 AromaticContact CE2-CD2 3.8Å; Y689-F695 HydrophobicContact CE2-CD2 3.8Å; Y689-F695 AromaticContact CE2-CE1 3.8Å; Y689-F695 HydrophobicContact CE2-CE1 3.8Å; Y689-F695 AromaticContact CE2-CE2 3.32Å; Y689-F695 HydrophobicContact CE2-CE2 3.32Å; Y689-F695 HydrophobicContact CE2-CG 4.21Å; Y689-F695 AromaticContact CE2-CZ 3.31Å; Y689-F695 HydrophobicContact CE2-CZ 3.31Å; Y689-F695 AromaticContact CG-CE1 3.97Å; Y689-F695 HydrophobicContact CG-CE1 3.97Å; Y689-F695 HydrophobicContact CG-CZ 4.16Å; Y689-F695 AromaticContact CZ-CE2 3.92Å; Y689-F695 AromaticContact CZ-CZ 3.74Å; F695-L697 VanDerWaalsContact C-N 3.31Å; F695-L697 PolarHBondContact O-N 2.86Å; F695-I698 HydrophobicContact CD1-CD1 3.88Å; F695-I698 WeakPolarHBondContact O-CA 3.25Å; F695-I698 WeakPolarHBondContact O-CB 3.33Å; F695-I698 PolarHBondContact O-N 3.28Å; F695-F699 HydrophobicContact CB-CD2 3.9Å; F695-F699 HydrophobicContact CB-CE2 3.85Å; F695-F699 WeakPolarHBondContact O-CD2 3.42Å; F695-F699 PolarHBondContact O-N 3.44Å
696	N	95.7	Very high	95.7	Very high	53 Å²	53	47.5 Å²	47.5	28%	0.283	23%	0.229	S	C	.	.	H	α-helix	trans	-53.7	-45.4	-174	-70.6	-9.3	0	0	0	113.2	P624 N694 I698 F699 I700	P624-N696 HydrophobicContact CB-CB 4.02Å; P624-N696 HydrophobicContact CG-CB 4.1Å; N694-N696 VanDerWaalsContact C-N 3.33Å; N694-N696 PolarHBondContact ND2-ND2 2.87Å; N694-N696 VanDerWaalsContact ND2-ND2 3.16Å; N694-N696 WeakPolarHBondContact OD1-CB 3.42Å; N694-N696 PolarHBondContact OD1-N 3.04Å; N694-N696 PolarHBondContact OD1-ND2 3.23Å; N694-N696 PolarHBondContact OD1-OD1 2.99Å; N696-I698 VanDerWaalsContact C-N 3.3Å; N696-I698 PolarHBondContact O-N 3.26Å; N696-F699 PolarHBondContact O-N 3Å; N696-I700 WeakPolarHBondContact O-CD1 3.16Å; N696-I700 VanDerWaalsContact O-CG1 3.23Å; N696-I700 WeakPolarHBondContact O-CG1 3.48Å; N696-I700 PolarHBondContact O-N 3.37Å
697	L	95.5	Very high	95.8	Very high	67 Å²	67	48.8 Å²	48.8	35%	0.351	24%	0.236	S	C	.	.	H	α-helix	trans	-65.8	-33.5	178.9	-69.6	176	0	0	0	112.6	M688 F692 F695 L701	M688-L697 HydrophobicContact CE-CB 3.75Å; M688-L697 HydrophobicContact CE-CD1 4.43Å; F692-L697 HydrophobicContact CB-CD1 4.34Å; F692-L697 HydrophobicContact CD1-CD1 4.03Å; F692-L697 HydrophobicContact CD2-CD1 3.56Å; F692-L697 HydrophobicContact CE1-CD1 4.2Å; F692-L697 HydrophobicContact CE2-CD1 3.76Å; F692-L697 HydrophobicContact CG-CD1 3.72Å; F692-L697 HydrophobicContact CZ-CD1 4.07Å; F695-L697 VanDerWaalsContact C-N 3.31Å; F695-L697 PolarHBondContact O-N 2.86Å; L697-L701 WeakPolarHBondContact O-CB 3.29Å; L697-L701 VanDerWaalsContact O-CG 3.31Å; L697-L701 WeakPolarHBondContact O-CG 3.48Å; L697-L701 PolarHBondContact O-N 2.87Å
698	I	96.8	Very high	95.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.1	-46.8	178.8	-64.2	165.8	0	0	0	109.9	V557 F561 F685 M688 F695 N696 G702	V557-I698 HydrophobicContact CG1-CG2 3.93Å; V557-I698 HydrophobicContact CG2-CG2 4.05Å; F561-I698 HydrophobicContact CD2-CG2 3.77Å; F561-I698 HydrophobicContact CE2-CG2 4.15Å; F561-I698 HydrophobicContact CG-CG2 4.34Å; F685-I698 HydrophobicContact CB-CB 4.45Å; F685-I698 HydrophobicContact CB-CD1 4.21Å; F685-I698 HydrophobicContact CB-CG1 3.98Å; F685-I698 HydrophobicContact CB-CG2 3.74Å; F685-I698 HydrophobicContact CD1-CB 4.19Å; F685-I698 HydrophobicContact CD1-CG1 4.07Å; F685-I698 HydrophobicContact CD1-CG2 3.81Å; F685-I698 HydrophobicContact CD2-CG2 4.23Å; F685-I698 HydrophobicContact CE1-CG2 4.47Å; F685-I698 HydrophobicContact CG-CB 4.46Å; F685-I698 HydrophobicContact CG-CG1 4.35Å; F685-I698 HydrophobicContact CG-CG2 3.68Å; F685-I698 WeakPolarHBondContact O-CD1 3.37Å; M688-I698 HydrophobicContact CB-CG1 4.26Å; F695-I698 HydrophobicContact CD1-CD1 3.88Å; F695-I698 WeakPolarHBondContact O-CA 3.25Å; F695-I698 WeakPolarHBondContact O-CB 3.33Å; F695-I698 PolarHBondContact O-N 3.28Å; N696-I698 VanDerWaalsContact C-N 3.3Å; N696-I698 PolarHBondContact O-N 3.26Å; I698-G702 PolarHBondContact O-N 3.47Å
699	F	97.9	Very high	95.8	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-40.3	175.9	-79.3	-79.1	0	0	0	112.7	V557 F561 L562 N565 T620 V623 P624 F695 N696 G703	V557-F699 HydrophobicContact CG1-CD1 3.7Å; V557-F699 HydrophobicContact CG1-CE1 3.74Å; V557-F699 HydrophobicContact CG1-CG 4.16Å; V557-F699 HydrophobicContact CG1-CZ 4.21Å; F561-F699 HydrophobicContact CB-CE2 4.45Å; F561-F699 HydrophobicContact CB-CZ 4.43Å; L562-F699 HydrophobicContact CB-CZ 4.43Å; L562-F699 HydrophobicContact CD1-CE1 4.36Å; L562-F699 HydrophobicContact CD1-CZ 4.21Å; N565-F699 HydrophobicContact CB-CE2 3.7Å; N565-F699 HydrophobicContact CB-CZ 4.16Å; T620-F699 HydrophobicContact CG2-CD1 3.95Å; V623-F699 HydrophobicContact CB-CB 4.16Å; V623-F699 HydrophobicContact CB-CD1 3.71Å; V623-F699 HydrophobicContact CB-CE1 4.32Å; V623-F699 HydrophobicContact CB-CG 3.93Å; V623-F699 HydrophobicContact CG1-CD1 3.72Å; V623-F699 HydrophobicContact CG1-CD2 4.13Å; V623-F699 HydrophobicContact CG1-CE1 3.93Å; V623-F699 HydrophobicContact CG1-CE2 4.33Å; V623-F699 HydrophobicContact CG1-CG 3.85Å; V623-F699 HydrophobicContact CG1-CZ 4.25Å; V623-F699 HydrophobicContact CG2-CD1 3.81Å; V623-F699 HydrophobicContact CG2-CE1 4.2Å; P624-F699 HydrophobicContact CG-CB 4.18Å; F695-F699 HydrophobicContact CB-CD2 3.9Å; F695-F699 HydrophobicContact CB-CE2 3.85Å; F695-F699 WeakPolarHBondContact O-CD2 3.42Å; F695-F699 PolarHBondContact O-N 3.44Å; N696-F699 PolarHBondContact O-N 3Å; F699-G703 PolarHBondContact O-N 3.12Å
700	I	98.1	Very high	95.8	Very high	61 Å²	61	47.1 Å²	47.1	31%	0.313	22%	0.224	S	C	.	.	H	α-helix	trans	-63.5	-52.5	176.5	-68.8	165.1	0	0	0	110.5	P624 N696 G703 L704	P624-I700 HydrophobicContact CG-CD1 4.2Å; P624-I700 HydrophobicContact CG-CG1 3.88Å; N696-I700 WeakPolarHBondContact O-CD1 3.16Å; N696-I700 VanDerWaalsContact O-CG1 3.23Å; N696-I700 WeakPolarHBondContact O-CG1 3.48Å; N696-I700 PolarHBondContact O-N 3.37Å; I700-G703 PolarHBondContact O-N 3.23Å; I700-L704 HydrophobicContact CG2-CD1 3.84Å; I700-L704 HydrophobicContact CG2-CG 4.35Å; I700-L704 WeakPolarHBondContact O-CB 3.31Å; I700-L704 VanDerWaalsContact O-CG 3.25Å; I700-L704 WeakPolarHBondContact O-CG 3.28Å; I700-L704 PolarHBondContact O-N 3.16Å
701	L	97.5	Very high	95.9	Very high	82 Å²	82	49.7 Å²	49.7	43%	0.429	24%	0.237	S	C	.	.	H	α-helix	trans	-67	-42	-177.1	-69.6	-174	0	0	0	112.4	F685 M688 L697 L704 S705	F685-L701 HydrophobicContact CE1-CB 4.01Å; M688-L701 HydrophobicContact CE-CD1 3.35Å; M688-L701 HydrophobicContact CE-CG 4.39Å; M688-L701 HydrophobicContact SD-CD1 3.75Å; L697-L701 WeakPolarHBondContact O-CB 3.29Å; L697-L701 VanDerWaalsContact O-CG 3.31Å; L697-L701 WeakPolarHBondContact O-CG 3.48Å; L697-L701 PolarHBondContact O-N 2.87Å; L701-L704 PolarHBondContact O-N 2.94Å; L701-S705 PolarHBondContact O-N 3.37Å
702	G	96.8	Very high	95.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-41.9	174.8	0	0	0	0	0	112.5	G554 I698 S705 V706	G554-G702 VanDerWaalsContact CA-O 3.28Å; G554-G702 WeakPolarHBondContact CA-O 3.48Å; I698-G702 PolarHBondContact O-N 3.47Å; G702-S705 PolarHBondContact O-N 3.31Å; G702-S705 PolarHBondContact O-OG 3.06Å; G702-V706 PolarHBondContact O-N 3.43Å
703	G	98.1	Very high	95.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-45	175	0	0	0	0	0	112.5	G617 F699 I700 S705 V706 L707	G617-G703 CarbonylContact C-O 3.56Å; G617-G703 WeakPolarHBondContact CA-O 3.09Å; G617-G703 CarbonylContact O-C 3.4Å; G617-G703 VanDerWaalsContact O-CA 3.26Å; G617-G703 WeakPolarHBondContact O-CA 3.41Å; F699-G703 PolarHBondContact O-N 3.12Å; I700-G703 PolarHBondContact O-N 3.23Å; G703-S705 VanDerWaalsContact C-N 3.33Å; G703-S705 PolarHBondContact O-N 2.73Å; G703-V706 PolarHBondContact O-N 3.24Å; G703-L707 VanDerWaalsContact O-CB 3.28Å; G703-L707 WeakPolarHBondContact O-CB 3.09Å; G703-L707 PolarHBondContact O-N 3.03Å
704	L	98	Very high	95.4	Very high	70 Å²	70	35.2 Å²	35.2	37%	0.366	18%	0.182	S	C	.	.	H	α-helix	trans	-63.2	-36.9	176.4	-73.4	177	0	0	0	112.3	I700 L701 L707 I708	I700-L704 HydrophobicContact CG2-CD1 3.84Å; I700-L704 HydrophobicContact CG2-CG 4.35Å; I700-L704 WeakPolarHBondContact O-CB 3.31Å; I700-L704 VanDerWaalsContact O-CG 3.25Å; I700-L704 WeakPolarHBondContact O-CG 3.28Å; I700-L704 PolarHBondContact O-N 3.16Å; L701-L704 PolarHBondContact O-N 2.94Å; L704-L707 HydrophobicContact CD2-CD2 4.18Å; L704-L707 PolarHBondContact O-N 2.96Å; L704-I708 WeakPolarHBondContact O-CB 3.16Å; L704-I708 WeakPolarHBondContact O-CD1 3.22Å; L704-I708 WeakPolarHBondContact O-CG1 3.26Å; L704-I708 PolarHBondContact O-N 3.43Å
705	S	97.3	Very high	95.3	Very high	13 Å²	13	35.4 Å²	35.4	9%	0.091	19%	0.187	C	C	.	.	H	α-helix	trans	-64.9	-43.4	178.5	83.1	0	0	0	0	111.7	L550 G554 L701 G702 G703 S709	L550-S705 CarbonylContact O-C 3.6Å; L550-S705 WeakPolarHBondContact O-CB 3.16Å; L550-S705 PolarHBondContact O-OG 3.03Å; G554-S705 WeakPolarHBondContact CA-OG 3.48Å; G554-S705 PolarHBondContact N-OG 3.49Å; G554-S705 VanDerWaalsContact N-OG 3.08Å; L701-S705 PolarHBondContact O-N 3.37Å; G702-S705 PolarHBondContact O-N 3.31Å; G702-S705 PolarHBondContact O-OG 3.06Å; G703-S705 VanDerWaalsContact C-N 3.33Å; G703-S705 PolarHBondContact O-N 2.73Å; S705-S709 VanDerWaalsContact O-CB 3.3Å; S705-S709 WeakPolarHBondContact O-CB 3.39Å; S705-S709 PolarHBondContact O-N 3.44Å
706	V	96.9	Very high	95.1	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-68.7	-38.7	176.4	172.9	0	0	0	0	111.1	S551 L613 G702 G703 S709 G710	S551-V706 WeakPolarHBondContact O-CG2 3.47Å; L613-V706 HydrophobicContact CB-CG1 4.43Å; L613-V706 HydrophobicContact CD2-CG1 4.06Å; L613-V706 WeakPolarHBondContact O-CG1 3.34Å; G702-V706 PolarHBondContact O-N 3.43Å; G703-V706 PolarHBondContact O-N 3.24Å; V706-S709 WeakPolarHBondContact O-CB 3.48Å; V706-S709 PolarHBondContact O-N 2.69Å; V706-G710 PolarHBondContact O-N 3.26Å
707	L	97.3	Very high	94.6	Very high	28 Å²	28	34.8 Å²	34.8	15%	0.147	19%	0.189	C	C	.	.	H	α-helix	trans	-61	-50.6	175.6	-178.2	61.4	0	0	0	111.7	V614 L618 G703 L704 S709 G710 L711	V614-L707 HydrophobicContact CB-CD1 4.11Å; V614-L707 HydrophobicContact CG1-CD1 3.72Å; V614-L707 HydrophobicContact CG2-CD1 4.22Å; L618-L707 HydrophobicContact CD2-CD1 4.22Å; L618-L707 HydrophobicContact CD2-CD2 4.02Å; L618-L707 HydrophobicContact CG-CD1 3.87Å; G703-L707 VanDerWaalsContact O-CB 3.28Å; G703-L707 WeakPolarHBondContact O-CB 3.09Å; G703-L707 PolarHBondContact O-N 3.03Å; L704-L707 HydrophobicContact CD2-CD2 4.18Å; L704-L707 PolarHBondContact O-N 2.96Å; L707-S709 VanDerWaalsContact C-N 3.29Å; L707-S709 PolarHBondContact O-N 3.49Å; L707-G710 PolarHBondContact O-N 3.4Å; L707-L711 HydrophobicContact CG-CD1 4.33Å; L707-L711 WeakPolarHBondContact O-CG 3.03Å; L707-L711 PolarHBondContact O-N 2.97Å
708	I	97.3	Very high	94.3	Very high	81 Å²	81	39.7 Å²	39.7	42%	0.415	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-40.1	177.6	-67.9	165.7	0	0	0	110.1	L550 L704 G710 L711 L712	L550-I708 HydrophobicContact CD1-CG2 4.09Å; L704-I708 WeakPolarHBondContact O-CB 3.16Å; L704-I708 WeakPolarHBondContact O-CD1 3.22Å; L704-I708 WeakPolarHBondContact O-CG1 3.26Å; L704-I708 PolarHBondContact O-N 3.43Å; I708-G710 PolarHBondContact O-N 2.61Å; I708-L711 PolarHBondContact O-N 3.11Å; I708-L712 HydrophobicContact CG2-CD1 3.93Å; I708-L712 HydrophobicContact CG2-CG 4.17Å; I708-L712 WeakPolarHBondContact O-CB 3.31Å; I708-L712 VanDerWaalsContact O-CG 3.28Å; I708-L712 WeakPolarHBondContact O-CG 3.26Å; I708-L712 PolarHBondContact O-N 2.96Å
709	S	95.2	Very high	93.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-56.7	-47.7	174.7	164.6	0	0	0	0	112.8	S547 S551 S705 V706 L707 L711 L712	S547-S709 WeakPolarHBondContact O-CB 3.41Å; S547-S709 PolarHBondContact O-OG 3.36Å; S547-S709 PolarHBondContact OG-O 3.37Å; S547-S709 PolarHBondContact OG-OG 3.13Å; S551-S709 PolarHBondContact OG-OG 2.97Å; S705-S709 VanDerWaalsContact O-CB 3.3Å; S705-S709 WeakPolarHBondContact O-CB 3.39Å; S705-S709 PolarHBondContact O-N 3.44Å; V706-S709 WeakPolarHBondContact O-CB 3.48Å; V706-S709 PolarHBondContact O-N 2.69Å; L707-S709 VanDerWaalsContact C-N 3.29Å; L707-S709 PolarHBondContact O-N 3.49Å; S709-L711 VanDerWaalsContact C-N 3.33Å; S709-L711 PolarHBondContact O-N 2.89Å; S709-L712 PolarHBondContact O-N 3.18Å
710	G	93.9	Very high	93.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-40.3	175.9	0	0	0	0	0	112.3	V706 L707 I708 C713	V706-G710 PolarHBondContact O-N 3.26Å; L707-G710 PolarHBondContact O-N 3.4Å; I708-G710 PolarHBondContact O-N 2.61Å; G710-C713 PolarHBondContact O-N 3.23Å
711	L	95.1	Very high	92.7	Very high	92 Å²	92	46 Å²	46	48%	0.482	24%	0.237	S	C	.	.	H	α-helix	trans	-65.2	-40.2	178.1	-70.5	173.4	0	0	0	113	V614 L707 I708 S709 C713 F714	V614-L711 HydrophobicContact CG2-CD2 4.17Å; V614-L711 HydrophobicContact CG2-CG 4.25Å; L707-L711 HydrophobicContact CG-CD1 4.33Å; L707-L711 WeakPolarHBondContact O-CG 3.03Å; L707-L711 PolarHBondContact O-N 2.97Å; I708-L711 PolarHBondContact O-N 3.11Å; S709-L711 VanDerWaalsContact C-N 3.33Å; S709-L711 PolarHBondContact O-N 2.89Å; L711-C713 PolarHBondContact O-N 3.16Å; L711-F714 HydrophobicContact CD2-CD2 4.27Å; L711-F714 HydrophobicContact CD2-CE2 4.06Å; L711-F714 PolarHBondContact O-N 3.1Å
712	L	92.7	Very high	92.2	Very high	56 Å²	56	47.2 Å²	47.2	29%	0.293	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-24.7	178.5	-77.4	170.9	0	0	0	113.2	L543 V546 L550 I708 S709 P715	L543-L712 HydrophobicContact CD1-CB 4.19Å; L543-L712 HydrophobicContact CD1-CD2 4.16Å; L543-L712 WeakPolarHBondContact CD2-O 3.37Å; V546-L712 HydrophobicContact CG1-CD1 4.34Å; L550-L712 HydrophobicContact CD1-CD1 3.52Å; I708-L712 HydrophobicContact CG2-CD1 3.93Å; I708-L712 HydrophobicContact CG2-CG 4.17Å; I708-L712 WeakPolarHBondContact O-CB 3.31Å; I708-L712 VanDerWaalsContact O-CG 3.28Å; I708-L712 WeakPolarHBondContact O-CG 3.26Å; I708-L712 PolarHBondContact O-N 2.96Å; S709-L712 PolarHBondContact O-N 3.18Å; L712-P715 WeakPolarHBondContact O-CD 3.49Å; L712-P715 WeakPolarHBondContact O-CG 3.43Å
713	C	88.7	Confident	91.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-9.8	-179	-73.6	0	0	0	0	114.3	S547 N610 G710 L711 L716	S547-C713 WeakPolarHBondContact CB-SG 3.43Å; S547-C713 PolarHBondContact OG-SG 2.88Å; N610-C713 PolarHBondContact ND2-O 3.42Å; N610-C713 VanDerWaalsContact ND2-O 3.09Å; N610-C713 WeakPolarHBondContact OD1-CB 3.39Å; G710-C713 PolarHBondContact O-N 3.23Å; L711-C713 PolarHBondContact O-N 3.16Å; C713-L716 WeakPolarHBondContact O-CB 3.45Å; C713-L716 PolarHBondContact O-N 2.94Å
714	F	89.8	Confident	90.9	Very high	76 Å²	76	53.5 Å²	53.5	33%	0.333	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-44.3	174.6	-78.6	-78.8	0	0	0	114.6	Y607 N610 V614 L711 L716	Y607-F714 HydrophobicContact CD1-CD1 4.09Å; Y607-F714 AromaticContact CD1-CE1 3.84Å; Y607-F714 HydrophobicContact CD1-CE1 3.84Å; Y607-F714 AromaticContact CE1-CD1 3.9Å; Y607-F714 HydrophobicContact CE1-CD1 3.9Å; Y607-F714 HydrophobicContact CE1-CE1 4.03Å; N610-F714 HydrophobicContact CB-CD2 4.46Å; N610-F714 HydrophobicContact CB-CE1 4.17Å; N610-F714 HydrophobicContact CB-CE2 4.06Å; N610-F714 HydrophobicContact CB-CZ 3.91Å; N610-F714 PolarHBondContact ND2-N 3.26Å; V614-F714 HydrophobicContact CG2-CE2 4.1Å; L711-F714 HydrophobicContact CD2-CD2 4.27Å; L711-F714 HydrophobicContact CD2-CE2 4.06Å; L711-F714 PolarHBondContact O-N 3.1Å; F714-L716 PolarHBondContact O-N 3.46Å
715	P	90	Very high	90.2	Very high	62 Å²	62	57.2 Å²	57.2	40%	0.403	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-5.4	176.6	28.1	-35.7	0	0	0	113.7	L543 L712 A717 K718 L719	L543-P715 HydrophobicContact CD2-CG 4.35Å; L712-P715 WeakPolarHBondContact O-CD 3.49Å; L712-P715 WeakPolarHBondContact O-CG 3.43Å; P715-A717 VanDerWaalsContact C-N 3.34Å; P715-A717 PolarHBondContact O-N 3.02Å; P715-K718 WeakPolarHBondContact O-CB 3.12Å; P715-K718 PolarHBondContact O-N 3.18Å; P715-L719 PolarHBondContact O-N 3.31Å
716	L	88.1	Confident	89.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-56.6	-43.9	-172.3	-167	70.3	0	0	0	112.6	T540 L543 L544 L606 L653 V657 C713 F714 K718 L719 A720	T540-L716 HydrophobicContact CG2-CD1 3.66Å; T540-L716 HydrophobicContact CG2-CG 4.28Å; L543-L716 HydrophobicContact CB-CD1 4.42Å; L543-L716 HydrophobicContact CD2-CD1 4.05Å; L543-L716 HydrophobicContact CG-CD1 4.4Å; L544-L716 HydrophobicContact CD1-CD2 4.11Å; L606-L716 HydrophobicContact CD1-CB 4.26Å; L606-L716 HydrophobicContact CD1-CD2 3.98Å; L606-L716 HydrophobicContact CD2-CB 4.47Å; L653-L716 HydrophobicContact CD1-CD2 4.46Å; L653-L716 HydrophobicContact CD2-CD2 4.19Å; L653-L716 HydrophobicContact CG-CD2 4.44Å; V657-L716 HydrophobicContact CG1-CD2 4.41Å; V657-L716 HydrophobicContact CG1-CG 4.3Å; V657-L716 HydrophobicContact CG2-CD2 4.09Å; V657-L716 HydrophobicContact CG2-CG 4.47Å; C713-L716 WeakPolarHBondContact O-CB 3.45Å; C713-L716 PolarHBondContact O-N 2.94Å; F714-L716 PolarHBondContact O-N 3.46Å; L716-K718 VanDerWaalsContact C-N 3.31Å; L716-K718 PolarHBondContact O-N 2.93Å; L716-L719 PolarHBondContact O-N 3.03Å; L716-A720 WeakPolarHBondContact O-CB 3.45Å; L716-A720 PolarHBondContact O-N 3.17Å
717	A	85.8	Confident	88.3	Confident	42 Å²	42	64.2 Å²	64.2	35%	0.347	31%	0.313	S	S	.	.	H	α-helix	trans	-62.9	-35.8	177.3	0	0	0	0	0	113	L606 P715 K721	L606-A717 HydrophobicContact CD2-CB 3.62Å; P715-A717 VanDerWaalsContact C-N 3.34Å; P715-A717 PolarHBondContact O-N 3.02Å; A717-K721 WeakPolarHBondContact O-CG 3.35Å; A717-K721 PolarHBondContact O-N 3.16Å
718	K	88.5	Confident	87.1	Confident	170 Å²	170	70.5 Å²	70.5	74%	0.739	34%	0.336	S	S	*	.	H	α-helix	trans	-73.1	-39.4	177.3	-67.5	-178	-179.5	177.9	0	111	P715 L716 W722	P715-K718 WeakPolarHBondContact O-CB 3.12Å; P715-K718 PolarHBondContact O-N 3.18Å; L716-K718 VanDerWaalsContact C-N 3.31Å; L716-K718 PolarHBondContact O-N 2.93Å; K718-W722 WeakPolarHBondContact O-CB 3.49Å; K718-W722 PolarHBondContact O-N 3.25Å
719	L	89.1	Confident	86	Confident	42 Å²	42	72 Å²	72	22%	0.22	34%	0.341	C	S	.	.	H	α-helix	trans	-66	-45.5	178.5	-173.1	60.5	0	0	0	111.4	P539 L543 P715 L716 K721 W722 E723	P539-L719 HydrophobicContact CB-CD1 4.47Å; P539-L719 HydrophobicContact CB-CD2 4.35Å; L543-L719 HydrophobicContact CB-CD2 4.28Å; L543-L719 HydrophobicContact CD2-CD2 3.72Å; P715-L719 PolarHBondContact O-N 3.31Å; L716-L719 PolarHBondContact O-N 3.03Å; L719-K721 PolarHBondContact O-N 3.27Å; L719-W722 HydrophobicContact CD1-CE3 3.9Å; L719-W722 HydrophobicContact CD1-CZ3 4.21Å; L719-W722 WeakPolarHBondContact O-CB 3.45Å; L719-W722 PolarHBondContact O-N 3.13Å; L719-W722 VanDerWaalsContact O-N 3.09Å; L719-E723 PolarHBondContact O-N 2.64Å
720	A	85.2	Confident	84.8	Confident	10 Å²	10	74.4 Å²	74.4	8%	0.083	36%	0.358	C	S	.	.	H	α-helix	trans	-59.5	-44.9	176	0	0	0	0	0	111.8	T540 V657 L716 W722 E723 N724	T540-A720 HydrophobicContact CG2-CB 4.05Å; V657-A720 HydrophobicContact CG1-CB 4.02Å; L716-A720 WeakPolarHBondContact O-CB 3.45Å; L716-A720 PolarHBondContact O-N 3.17Å; A720-W722 VanDerWaalsContact C-N 3.31Å; A720-W722 PolarHBondContact O-N 2.61Å; A720-E723 PolarHBondContact O-N 2.66Å; A720-N724 VanDerWaalsContact O-CG 3.32Å; A720-N724 PolarHBondContact O-N 3.38Å
721	K	85.9	Confident	83.5	Confident	141 Å²	141	80 Å²	80	61%	0.613	38%	0.384	S	S	*	.	H	α-helix	trans	-61.8	-36.9	174.4	-74.7	-178.6	-179.4	-170.2	0	112.8	A717 L719 R725	A717-K721 WeakPolarHBondContact O-CG 3.35Å; A717-K721 PolarHBondContact O-N 3.16Å; L719-K721 PolarHBondContact O-N 3.27Å; K721-R725 WeakPolarHBondContact O-CG 3.44Å; K721-R725 PolarHBondContact O-N 3.5Å; K721-R725 PolarHBondContact O-NE 3.45Å
722	W	87.5	Confident	82.3	Confident	108 Å²	108	79.6 Å²	79.6	41%	0.409	38%	0.38	S	S	.	.	H	α-helix	trans	-69.5	-41.5	176.5	170.7	88.9	0	0	0	112.2	P539 K718 L719 A720 R725 K726	P539-W722 HydrophobicContact CG-CZ3 3.88Å; K718-W722 WeakPolarHBondContact O-CB 3.49Å; K718-W722 PolarHBondContact O-N 3.25Å; L719-W722 HydrophobicContact CD1-CE3 3.9Å; L719-W722 HydrophobicContact CD1-CZ3 4.21Å; L719-W722 WeakPolarHBondContact O-CB 3.45Å; L719-W722 PolarHBondContact O-N 3.13Å; L719-W722 VanDerWaalsContact O-N 3.09Å; A720-W722 VanDerWaalsContact C-N 3.31Å; A720-W722 PolarHBondContact O-N 2.61Å; W722-R725 PolarHBondContact O-N 3.34Å; W722-K726 HydrophobicContact CD2-CD 4.2Å; W722-K726 VanDerWaalsContact CE2-CE 3.48Å; W722-K726 HydrophobicContact CE3-CD 4.36Å; W722-K726 HydrophobicContact CH2-CD 3.74Å; W722-K726 VanDerWaalsContact CH2-NZ 3.33Å; W722-K726 HydrophobicContact CZ2-CD 3.54Å; W722-K726 HydrophobicContact CZ3-CD 4.12Å; W722-K726 PolarHBondContact O-N 2.92Å
723	E	85	Confident	81.2	Confident	29 Å²	29	82 Å²	82	14%	0.136	39%	0.393	C	S	.	.	H	α-helix	trans	-63.3	-47	177.2	-172.8	171.2	176.1	0	0	111	S538 T540 L719 A720 R725 K726 S727	S538-E723 WeakPolarHBondContact CA-OE1 3.47Å; S538-E723 WeakPolarHBondContact CB-OE1 3.48Å; S538-E723 PolarHBondContact OG-OE1 3.4Å; S538-E723 PolarHBondContact OG-OE2 2.92Å; S538-E723 VanDerWaalsContact OG-OE2 3.04Å; T540-E723 WeakPolarHBondContact CB-OE2 3.42Å; T540-E723 PolarHBondContact N-OE2 3.25Å; T540-E723 PolarHBondContact OG1-OE2 2.87Å; L719-E723 PolarHBondContact O-N 2.64Å; A720-E723 PolarHBondContact O-N 2.66Å; E723-R725 VanDerWaalsContact C-N 3.31Å; E723-R725 PolarHBondContact O-N 2.91Å; E723-K726 WeakPolarHBondContact O-CB 3.28Å; E723-K726 PolarHBondContact O-N 2.86Å; E723-K726 VanDerWaalsContact O-N 3.07Å; E723-S727 PolarHBondContact O-N 3.19Å; E723-S727 PolarHBondContact O-OG 3.46Å
724	N	81	Confident	80.1	Confident	103 Å²	103	87.8 Å²	87.8	55%	0.551	42%	0.42	S	S	*	.	H	α-helix	trans	-60.6	-39	177.1	-69.3	-7.7	0	0	0	112.4	A720 S727 Y728	A720-N724 VanDerWaalsContact O-CG 3.32Å; A720-N724 PolarHBondContact O-N 3.38Å; N724-S727 PolarHBondContact O-N 3.35Å; N724-Y728 PolarHBondContact O-N 2.96Å
725	R	83	Confident	78.8	Confident	148 Å²	148	88.9 Å²	88.9	56%	0.558	43%	0.427	S	S	*	.	H	α-helix	trans	-65.4	-38.8	174.3	-77.1	-175.2	-64.3	-134.1	-0.1	112.7	K721 W722 E723 Y728 Q729	K721-R725 WeakPolarHBondContact O-CG 3.44Å; K721-R725 PolarHBondContact O-N 3.5Å; K721-R725 PolarHBondContact O-NE 3.45Å; W722-R725 PolarHBondContact O-N 3.34Å; E723-R725 VanDerWaalsContact C-N 3.31Å; E723-R725 PolarHBondContact O-N 2.91Å; R725-Y728 PolarHBondContact O-N 3.09Å; R725-Q729 WeakPolarHBondContact O-CG 3.33Å; R725-Q729 PolarHBondContact O-N 2.64Å
726	K	81.8	Confident	77.6	Confident	105 Å²	105	89.3 Å²	89.3	46%	0.457	43%	0.426	S	S	.	.	H	α-helix	trans	-65.8	-43.2	175.9	-86.3	-169	163.2	-169.2	0	112	W722 E723 Y728 Q729 S730	W722-K726 HydrophobicContact CD2-CD 4.2Å; W722-K726 VanDerWaalsContact CE2-CE 3.48Å; W722-K726 HydrophobicContact CE3-CD 4.36Å; W722-K726 HydrophobicContact CH2-CD 3.74Å; W722-K726 VanDerWaalsContact CH2-NZ 3.33Å; W722-K726 HydrophobicContact CZ2-CD 3.54Å; W722-K726 HydrophobicContact CZ3-CD 4.12Å; W722-K726 PolarHBondContact O-N 2.92Å; E723-K726 WeakPolarHBondContact O-CB 3.28Å; E723-K726 PolarHBondContact O-N 2.86Å; E723-K726 VanDerWaalsContact O-N 3.07Å; K726-Y728 VanDerWaalsContact C-N 3.27Å; K726-Y728 PolarHBondContact O-N 3.33Å; K726-Q729 PolarHBondContact O-N 3.42Å; K726-S730 PolarHBondContact O-N 3.24Å; K726-S730 PolarHBondContact O-OG 3.25Å
727	S	73.7	Confident	76	Confident	56 Å²	56	97.1 Å²	97.1	39%	0.392	46%	0.457	S	S	.	.	H	α-helix	trans	-61	-38.4	174.6	-60	0	0	0	0	111.3	E723 N724 S730 H731	E723-S727 PolarHBondContact O-N 3.19Å; E723-S727 PolarHBondContact O-OG 3.46Å; N724-S727 PolarHBondContact O-N 3.35Å; S727-S730 WeakPolarHBondContact CA-OG 3.32Å; S727-S730 PolarHBondContact O-OG 3.35Å; S727-H731 PolarHBondContact O-N 2.85Å; S727-H731 VanDerWaalsContact O-N 3.16Å; S727-H731 PolarHBondContact O-ND1 3.38Å
728	Y	72.5	Confident	74.6	Confident	160 Å²	160	101.3 Å²	101.3	63%	0.627	47%	0.469	S	S	*	.	H	α-helix	trans	-65.7	-46.2	174.9	-169.3	-92.2	0	0	0	112.2	N724 R725 K726 S730 H731 E732	N724-Y728 PolarHBondContact O-N 2.96Å; R725-Y728 PolarHBondContact O-N 3.09Å; K726-Y728 VanDerWaalsContact C-N 3.27Å; K726-Y728 PolarHBondContact O-N 3.33Å; Y728-S730 VanDerWaalsContact C-N 3.33Å; Y728-S730 PolarHBondContact O-N 3.46Å; Y728-H731 PolarHBondContact O-N 3.11Å; Y728-E732 WeakPolarHBondContact O-CB 3.47Å; Y728-E732 PolarHBondContact O-N 3.25Å
729	Q	73.4	Confident	73	Confident	111 Å²	111	99.4 Å²	99.4	52%	0.519	46%	0.461	S	S	.	.	H	α-helix	trans	-62.9	-36.4	177.8	-73.7	174.5	-6.8	0	0	112.8	R725 K726 E732 N733	R725-Q729 WeakPolarHBondContact O-CG 3.33Å; R725-Q729 PolarHBondContact O-N 2.64Å; K726-Q729 PolarHBondContact O-N 3.42Å; Q729-E732 PolarHBondContact O-N 3.5Å; Q729-N733 WeakPolarHBondContact O-CB 3.32Å; Q729-N733 PolarHBondContact O-N 2.87Å; Q729-N733 PolarHBondContact O-ND2 2.84Å; Q729-N733 VanDerWaalsContact O-ND2 3.11Å
730	S	69.5	Low	71.3	Confident	52 Å²	52	101.1 Å²	101.1	36%	0.364	47%	0.473	S	S	.	.	H	α-helix	trans	-66.3	-43	175.3	59.2	0	0	0	0	111.5	K726 S727 Y728 E732 N733 E734	K726-S730 PolarHBondContact O-N 3.24Å; K726-S730 PolarHBondContact O-OG 3.25Å; S727-S730 WeakPolarHBondContact CA-OG 3.32Å; S727-S730 PolarHBondContact O-OG 3.35Å; Y728-S730 VanDerWaalsContact C-N 3.33Å; Y728-S730 PolarHBondContact O-N 3.46Å; S730-E732 PolarHBondContact O-N 3.27Å; S730-N733 PolarHBondContact O-N 3.44Å; S730-E734 WeakPolarHBondContact O-CG 3.14Å; S730-E734 PolarHBondContact O-N 2.85Å
731	H	67.3	Low	69.9	Low	116 Å²	116	102.9 Å²	102.9	54%	0.537	48%	0.483	S	S	.	.	H	α-helix	trans	-63.4	-40.9	174.8	-76.8	76.6	0	0	0	111.8	S727 Y728 E734 M735	S727-H731 PolarHBondContact O-N 2.85Å; S727-H731 VanDerWaalsContact O-N 3.16Å; S727-H731 PolarHBondContact O-ND1 3.38Å; Y728-H731 PolarHBondContact O-N 3.11Å; H731-E734 PolarHBondContact O-N 3.3Å; H731-M735 WeakPolarHBondContact O-CG 3.36Å; H731-M735 PolarHBondContact O-N 3.22Å
732	E	69.6	Low	68.4	Low	85 Å²	85	100.2 Å²	100.2	40%	0.397	48%	0.475	S	S	.	.	H	α-helix	trans	-65.2	-40	177.4	-165.6	178.6	-178.3	0	0	111.9	Y728 Q729 S730 N736	Y728-E732 WeakPolarHBondContact O-CB 3.47Å; Y728-E732 PolarHBondContact O-N 3.25Å; Q729-E732 PolarHBondContact O-N 3.5Å; S730-E732 PolarHBondContact O-N 3.27Å; E732-N736 WeakPolarHBondContact O-CB 3.48Å; E732-N736 PolarHBondContact O-N 3.12Å; E732-N736 PolarHBondContact O-ND2 3.3Å; E732-N736 VanDerWaalsContact O-ND2 3.14Å
733	N	69	Low	66.9	Low	107 Å²	107	102 Å²	102	57%	0.572	49%	0.488	S	S	*	.	H	α-helix	trans	-67.2	-39.5	175.3	-72.5	-27.4	0	0	0	112.5	Q729 S730 N736 Y737	Q729-N733 WeakPolarHBondContact O-CB 3.32Å; Q729-N733 PolarHBondContact O-N 2.87Å; Q729-N733 PolarHBondContact O-ND2 2.84Å; Q729-N733 VanDerWaalsContact O-ND2 3.11Å; S730-N733 PolarHBondContact O-N 3.44Å; N733-N736 PolarHBondContact O-N 3.32Å; N733-Y737 VanDerWaalsContact O-CB 3.31Å; N733-Y737 WeakPolarHBondContact O-CB 3.23Å; N733-Y737 PolarHBondContact O-N 2.96Å
734	E	66.5	Low	65.4	Low	121 Å²	121	104 Å²	104	57%	0.565	51%	0.505	S	S	*	.	H	α-helix	trans	-64.3	-47.1	174.5	-78.7	174.5	-179	0	0	111.1	S730 H731 N736 Y737 E738	S730-E734 WeakPolarHBondContact O-CG 3.14Å; S730-E734 PolarHBondContact O-N 2.85Å; H731-E734 PolarHBondContact O-N 3.3Å; E734-N736 VanDerWaalsContact C-N 3.3Å; E734-N736 PolarHBondContact O-N 3.23Å; E734-Y737 PolarHBondContact O-N 2.94Å; E734-E738 PolarHBondContact O-N 3.08Å
735	M	63	Low	64.2	Low	98 Å²	98	102.3 Å²	102.3	48%	0.483	50%	0.496	S	S	.	.	H	α-helix	trans	-60.4	-38.5	175	-73.7	-166.3	-57.1	0	0	112.6	H731 K739	H731-M735 WeakPolarHBondContact O-CG 3.36Å; H731-M735 PolarHBondContact O-N 3.22Å; M735-K739 WeakPolarHBondContact O-CB 3.33Å; M735-K739 WeakPolarHBondContact O-CG 3.23Å; M735-K739 PolarHBondContact O-N 3.43Å
736	N	63.5	Low	62.8	Low	72 Å²	72	102 Å²	102	39%	0.385	50%	0.496	S	S	.	.	H	α-helix	trans	-71.4	-37	176.9	-74.5	-28.6	0	0	0	111.9	E732 N733 E734 K739 T740	E732-N736 WeakPolarHBondContact O-CB 3.48Å; E732-N736 PolarHBondContact O-N 3.12Å; E732-N736 PolarHBondContact O-ND2 3.3Å; E732-N736 VanDerWaalsContact O-ND2 3.14Å; N733-N736 PolarHBondContact O-N 3.32Å; E734-N736 VanDerWaalsContact C-N 3.3Å; E734-N736 PolarHBondContact O-N 3.23Å; N736-K739 PolarHBondContact O-N 3.25Å; N736-T740 WeakPolarHBondContact O-CB 3.26Å; N736-T740 WeakPolarHBondContact O-CG2 3.19Å; N736-T740 PolarHBondContact O-N 3.47Å; N736-T740 PolarHBondContact O-OG1 3.49Å
737	Y	55.1	Low	61.5	Low	164 Å²	164	100.3 Å²	100.3	64%	0.643	50%	0.496	S	S	*	.	H	α-helix	trans	-65.6	-43.1	173.5	-171.7	-97	0	0	0	111.3	N733 E734 T740 T741	N733-Y737 VanDerWaalsContact O-CB 3.31Å; N733-Y737 WeakPolarHBondContact O-CB 3.23Å; N733-Y737 PolarHBondContact O-N 2.96Å; E734-Y737 PolarHBondContact O-N 2.94Å; Y737-T740 WeakPolarHBondContact CA-OG1 3.33Å; Y737-T740 PolarHBondContact O-N 3.34Å; Y737-T740 PolarHBondContact O-OG1 3.1Å; Y737-T741 WeakPolarHBondContact CE1-OG1 3.35Å; Y737-T741 VanDerWaalsContact O-CB 3.3Å; Y737-T741 WeakPolarHBondContact O-CB 3.42Å; Y737-T741 PolarHBondContact O-N 2.83Å; Y737-T741 PolarHBondContact O-OG1 3.06Å
738	E	56.9	Low	60.9	Low	129 Å²	129	102.6 Å²	102.6	60%	0.603	50%	0.503	S	S	*	.	H	α-helix	trans	-62.4	-46.4	174.7	-75.9	-173.3	166.4	0	0	111.4	E734 T740 T741 D742	E734-E738 PolarHBondContact O-N 3.08Å; E738-T740 PolarHBondContact O-N 3.25Å; E738-T741 PolarHBondContact O-N 3.39Å; E738-D742 WeakPolarHBondContact O-CB 3.16Å; E738-D742 PolarHBondContact O-N 2.78Å
739	K	54.6	Low	60.1	Low	131 Å²	131	100.5 Å²	100.5	57%	0.57	49%	0.494	S	S	*	.	H	α-helix	trans	-58.6	-44.5	175.4	-79.3	175.7	-177.9	171.8	0	112.7	M735 N736 Q743	M735-K739 WeakPolarHBondContact O-CB 3.33Å; M735-K739 WeakPolarHBondContact O-CG 3.23Å; M735-K739 PolarHBondContact O-N 3.43Å; N736-K739 PolarHBondContact O-N 3.25Å; K739-Q743 WeakPolarHBondContact O-CB 3.41Å; K739-Q743 WeakPolarHBondContact O-CG 3.44Å; K739-Q743 PolarHBondContact O-N 3.24Å
740	T	54.1	Low	59.9	Low	77 Å²	77	99.1 Å²	99.1	47%	0.472	49%	0.489	S	S	.	.	H	α-helix	trans	-69.4	-37.3	179.1	49.6	0	0	0	0	111.9	N736 Y737 E738 Q743 S744	N736-T740 WeakPolarHBondContact O-CB 3.26Å; N736-T740 WeakPolarHBondContact O-CG2 3.19Å; N736-T740 PolarHBondContact O-N 3.47Å; N736-T740 PolarHBondContact O-OG1 3.49Å; Y737-T740 WeakPolarHBondContact CA-OG1 3.33Å; Y737-T740 PolarHBondContact O-N 3.34Å; Y737-T740 PolarHBondContact O-OG1 3.1Å; E738-T740 PolarHBondContact O-N 3.25Å; T740-Q743 PolarHBondContact O-N 3.01Å; T740-S744 WeakPolarHBondContact O-CB 3.42Å; T740-S744 PolarHBondContact O-N 3.02Å
741	T	55.5	Low	59.5	Low	48 Å²	48	102.4 Å²	102.4	29%	0.294	50%	0.502	S	S	.	.	H	α-helix	trans	-67.3	-42.4	175.6	-49.8	0	0	0	0	110.9	Y737 E738 Q743 S744 L745	Y737-T741 WeakPolarHBondContact CE1-OG1 3.35Å; Y737-T741 VanDerWaalsContact O-CB 3.3Å; Y737-T741 WeakPolarHBondContact O-CB 3.42Å; Y737-T741 PolarHBondContact O-N 2.83Å; Y737-T741 PolarHBondContact O-OG1 3.06Å; E738-T741 PolarHBondContact O-N 3.39Å; T741-Q743 PolarHBondContact O-N 3.31Å; T741-S744 PolarHBondContact O-N 2.79Å; T741-S744 PolarHBondContact O-OG 3.26Å; T741-L745 HydrophobicContact CG2-CD1 4.17Å; T741-L745 PolarHBondContact O-N 3.24Å
742	D	54.5	Low	59.3	Low	84 Å²	84	104.3 Å²	104.3	45%	0.449	50%	0.504	S	S	.	.	H	α-helix	trans	-63.9	-38.8	175.2	-115.3	-14.2	0	0	0	112.1	E738 L745 Y746 R749	E738-D742 WeakPolarHBondContact O-CB 3.16Å; E738-D742 PolarHBondContact O-N 2.78Å; D742-L745 PolarHBondContact O-N 3.34Å; D742-Y746 PolarHBondContact O-N 2.87Å; D742-Y746 VanDerWaalsContact O-N 3.15Å; D742-R749 IonicContact OD1-CZ 3.21Å; D742-R749 IonicContact OD1-NH1 2.83Å; D742-R749 PolarHBondContact OD1-NH1 3.36Å; D742-R749 IonicContact OD1-NH2 2.74Å; D742-R749 PolarHBondContact OD1-NH2 2.96Å
743	Q	54.8	Low	59.2	Low	145 Å²	145	109 Å²	109	68%	0.678	52%	0.519	S	S	*	.	H	α-helix	trans	-65.6	-40.3	172.4	-76.8	-177.3	-3.5	0	0	112	K739 T740 T741 L745 Y746 P747	K739-Q743 WeakPolarHBondContact O-CB 3.41Å; K739-Q743 WeakPolarHBondContact O-CG 3.44Å; K739-Q743 PolarHBondContact O-N 3.24Å; T740-Q743 PolarHBondContact O-N 3.01Å; T741-Q743 PolarHBondContact O-N 3.31Å; Q743-L745 VanDerWaalsContact C-N 3.34Å; Q743-L745 PolarHBondContact O-N 3.2Å; Q743-Y746 WeakPolarHBondContact O-CB 3.39Å; Q743-Y746 PolarHBondContact O-N 3Å; Q743-Y746 VanDerWaalsContact O-N 3.16Å; Q743-P747 WeakPolarHBondContact O-CD 3.45Å
744	S	54.9	Low	59.3	Low	71 Å²	71	107.7 Å²	107.7	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-68.4	-31.4	178.3	77.7	0	0	0	0	113.1	T740 T741 Y746 P747	T740-S744 WeakPolarHBondContact O-CB 3.42Å; T740-S744 PolarHBondContact O-N 3.02Å; T741-S744 PolarHBondContact O-N 2.79Å; T741-S744 PolarHBondContact O-OG 3.26Å; S744-Y746 VanDerWaalsContact C-N 3.32Å; S744-P747 WeakPolarHBondContact O-CD 3.27Å; S744-P747 WeakPolarHBondContact O-CG 3.42Å
745	L	55.2	Low	59.6	Low	68 Å²	68	108.4 Å²	108.4	36%	0.356	51%	0.508	S	S	.	.	H	α-helix	trans	-79.2	-13.9	173.1	-99.5	84.3	0	0	0	113	T741 D742 Q743 I748 R749	T741-L745 HydrophobicContact CG2-CD1 4.17Å; T741-L745 PolarHBondContact O-N 3.24Å; D742-L745 PolarHBondContact O-N 3.34Å; Q743-L745 VanDerWaalsContact C-N 3.34Å; Q743-L745 PolarHBondContact O-N 3.2Å; L745-I748 PolarHBondContact O-N 2.92Å; L745-I748 VanDerWaalsContact O-N 3.13Å; L745-R749 WeakPolarHBondContact O-CG 3.46Å; L745-R749 PolarHBondContact O-N 3.36Å
746	Y	54.2	Low	59.9	Low	141 Å²	141	107.3 Å²	107.3	55%	0.553	50%	0.504	S	S	*	.	H	α-helix	trans	-55.4	-49	179.7	-161.4	-90.1	0	0	0	113.7	D742 Q743 S744 I748 R749 L750	D742-Y746 PolarHBondContact O-N 2.87Å; D742-Y746 VanDerWaalsContact O-N 3.15Å; Q743-Y746 WeakPolarHBondContact O-CB 3.39Å; Q743-Y746 PolarHBondContact O-N 3Å; Q743-Y746 VanDerWaalsContact O-N 3.16Å; S744-Y746 VanDerWaalsContact C-N 3.32Å; Y746-I748 VanDerWaalsContact C-N 3.29Å; Y746-I748 PolarHBondContact O-N 3.33Å; Y746-R749 PolarHBondContact O-N 2.95Å; Y746-L750 WeakPolarHBondContact O-CB 3.33Å; Y746-L750 PolarHBondContact O-N 3.4Å
747	P	53.4	Low	60.5	Low	71 Å²	71	110.2 Å²	110.2	46%	0.461	51%	0.51	S	S	.	.	H	α-helix	trans	-61.4	-35.4	175.7	21.1	-32.6	0	0	0	112.8	Q743 S744 L750 L751	Q743-P747 WeakPolarHBondContact O-CD 3.45Å; S744-P747 WeakPolarHBondContact O-CD 3.27Å; S744-P747 WeakPolarHBondContact O-CG 3.42Å; P747-L750 PolarHBondContact O-N 3.01Å; P747-L751 WeakPolarHBondContact O-CB 3.47Å; P747-L751 WeakPolarHBondContact O-CD1 3.4Å; P747-L751 VanDerWaalsContact O-CG 3.3Å; P747-L751 WeakPolarHBondContact O-CG 3.49Å; P747-L751 PolarHBondContact O-N 2.87Å
748	I	62.2	Low	61.1	Low	103 Å²	103	107.4 Å²	107.4	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-67.6	-43.2	176.5	-59.8	172.3	0	0	0	110.2	L745 Y746 L751 R752	L745-I748 PolarHBondContact O-N 2.92Å; L745-I748 VanDerWaalsContact O-N 3.13Å; Y746-I748 VanDerWaalsContact C-N 3.29Å; Y746-I748 PolarHBondContact O-N 3.33Å; I748-L751 PolarHBondContact O-N 3Å; I748-R752 WeakPolarHBondContact O-CB 3.37Å; I748-R752 PolarHBondContact O-N 2.97Å
749	R	56	Low	61.4	Low	117 Å²	117	106.4 Å²	106.4	44%	0.442	50%	0.5	S	S	.	.	H	α-helix	trans	-66.1	-38.7	175.3	-70	-178.6	-172.4	156.9	7.4	111.8	D742 L745 Y746 R752 R753	D742-R749 IonicContact OD1-CZ 3.21Å; D742-R749 IonicContact OD1-NH1 2.83Å; D742-R749 PolarHBondContact OD1-NH1 3.36Å; D742-R749 IonicContact OD1-NH2 2.74Å; D742-R749 PolarHBondContact OD1-NH2 2.96Å; L745-R749 WeakPolarHBondContact O-CG 3.46Å; L745-R749 PolarHBondContact O-N 3.36Å; Y746-R749 PolarHBondContact O-N 2.95Å; R749-R752 PolarHBondContact O-N 3.31Å; R749-R753 WeakPolarHBondContact O-CB 3.42Å; R749-R753 WeakPolarHBondContact O-CG 3.41Å; R749-R753 PolarHBondContact O-N 3.01Å
750	L	68	Low	61.7	Low	81 Å²	81	108.1 Å²	108.1	42%	0.424	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-46.9	176.4	-173.6	70.5	0	0	0	110.7	Y746 P747 R752 R753 I754	Y746-L750 WeakPolarHBondContact O-CB 3.33Å; Y746-L750 PolarHBondContact O-N 3.4Å; P747-L750 PolarHBondContact O-N 3.01Å; L750-R752 VanDerWaalsContact C-N 3.29Å; L750-R752 PolarHBondContact O-N 3.49Å; L750-R753 PolarHBondContact O-N 3.38Å; L750-I754 HydrophobicContact CD1-CD1 4.47Å; L750-I754 HydrophobicContact CD2-CD1 4.46Å; L750-I754 HydrophobicContact CG-CD1 3.93Å; L750-I754 WeakPolarHBondContact O-CB 3.32Å; L750-I754 VanDerWaalsContact O-CG1 3.25Å; L750-I754 WeakPolarHBondContact O-CG1 3.49Å; L750-I754 PolarHBondContact O-N 2.84Å
751	L	61.1	Low	62	Low	121 Å²	121	110.1 Å²	110.1	63%	0.634	51%	0.511	S	S	*	.	H	α-helix	trans	-59.4	-40.4	173.7	-79	163.9	0	0	0	111.7	P747 I748 I754 R755	P747-L751 WeakPolarHBondContact O-CB 3.47Å; P747-L751 WeakPolarHBondContact O-CD1 3.4Å; P747-L751 VanDerWaalsContact O-CG 3.3Å; P747-L751 WeakPolarHBondContact O-CG 3.49Å; P747-L751 PolarHBondContact O-N 2.87Å; I748-L751 PolarHBondContact O-N 3Å; L751-I754 PolarHBondContact O-N 3.22Å; L751-R755 VanDerWaalsContact O-CB 3.26Å; L751-R755 WeakPolarHBondContact O-CB 3.43Å; L751-R755 PolarHBondContact O-N 2.93Å
752	R	62.2	Low	61.9	Low	156 Å²	156	113.7 Å²	113.7	59%	0.589	52%	0.523	S	S	*	.	H	α-helix	trans	-65.3	-44.6	176	-141.1	174.5	-170.8	166	1.3	111.5	I748 R749 L750 R755 D756	I748-R752 WeakPolarHBondContact O-CB 3.37Å; I748-R752 PolarHBondContact O-N 2.97Å; R749-R752 PolarHBondContact O-N 3.31Å; L750-R752 VanDerWaalsContact C-N 3.29Å; L750-R752 PolarHBondContact O-N 3.49Å; R752-R755 PolarHBondContact O-N 3.27Å; R752-D756 WeakPolarHBondContact O-CB 3.42Å; R752-D756 PolarHBondContact O-N 2.91Å
753	R	69.4	Low	61.4	Low	185 Å²	185	118 Å²	118	70%	0.698	54%	0.54	S	S	*	.	H	α-helix	trans	-63.2	-42.2	174.6	-80.3	-175.3	-177.3	178.2	1.1	112.4	R749 L750 D756 W757	R749-R753 WeakPolarHBondContact O-CB 3.42Å; R749-R753 WeakPolarHBondContact O-CG 3.41Å; R749-R753 PolarHBondContact O-N 3.01Å; L750-R753 PolarHBondContact O-N 3.38Å; R753-D756 PolarHBondContact O-N 3.17Å; R753-W757 WeakPolarHBondContact O-CB 3.46Å; R753-W757 PolarHBondContact O-N 3.1Å
754	I	71.1	Confident	60.6	Low	79 Å²	79	116.2 Å²	116.2	41%	0.405	54%	0.543	S	S	.	.	H	α-helix	trans	-63.3	-45.5	176.3	-69.8	167.6	0	0	0	109.6	L750 L751 W757 F758	L750-I754 HydrophobicContact CD1-CD1 4.47Å; L750-I754 HydrophobicContact CD2-CD1 4.46Å; L750-I754 HydrophobicContact CG-CD1 3.93Å; L750-I754 WeakPolarHBondContact O-CB 3.32Å; L750-I754 VanDerWaalsContact O-CG1 3.25Å; L750-I754 WeakPolarHBondContact O-CG1 3.49Å; L750-I754 PolarHBondContact O-N 2.84Å; L751-I754 PolarHBondContact O-N 3.22Å; I754-W757 PolarHBondContact O-N 3.12Å; I754-F758 HydrophobicContact CG2-CD2 3.86Å; I754-F758 HydrophobicContact CG2-CE2 4.2Å; I754-F758 WeakPolarHBondContact O-CB 3.32Å; I754-F758 WeakPolarHBondContact O-CD2 3.36Å; I754-F758 PolarHBondContact O-N 3.3Å
755	R	71.5	Confident	59.7	Low	135 Å²	135	118 Å²	118	51%	0.509	56%	0.555	S	S	.	*	H	α-helix	trans	-60.2	-47.3	176	-176.4	-168.2	71	161	7.3	111.9	L751 R752 W757 F758 N759	L751-R755 VanDerWaalsContact O-CB 3.26Å; L751-R755 WeakPolarHBondContact O-CB 3.43Å; L751-R755 PolarHBondContact O-N 2.93Å; R752-R755 PolarHBondContact O-N 3.27Å; R755-W757 VanDerWaalsContact C-N 3.35Å; R755-F758 PolarHBondContact O-N 3.15Å; R755-N759 WeakPolarHBondContact O-CB 3.42Å; R755-N759 PolarHBondContact O-N 3.43Å
756	D	69.2	Low	58.7	Low	75 Å²	75	123.7 Å²	123.7	40%	0.401	58%	0.576	S	S	.	*	H	α-helix	trans	-70.3	-34.7	-178.2	-61.8	-13.7	0	0	0	110.8	R752 R753 K760	R752-D756 WeakPolarHBondContact O-CB 3.42Å; R752-D756 PolarHBondContact O-N 2.91Å; R753-D756 PolarHBondContact O-N 3.17Å; D756-K760 VanDerWaalsContact O-CB 3.29Å; D756-K760 WeakPolarHBondContact O-CB 3.09Å; D756-K760 PolarHBondContact O-N 2.85Å
757	W	77.6	Confident	57.6	Low	133 Å²	133	122.9 Å²	122.9	50%	0.504	59%	0.586	S	S	.	*	H	α-helix	trans	-66.9	-43.6	171.9	-176.3	84.4	0	0	0	112	R753 I754 R755 N759 K760 H761 F762	R753-W757 WeakPolarHBondContact O-CB 3.46Å; R753-W757 PolarHBondContact O-N 3.1Å; I754-W757 PolarHBondContact O-N 3.12Å; R755-W757 VanDerWaalsContact C-N 3.35Å; W757-N759 PolarHBondContact O-N 2.83Å; W757-K760 PolarHBondContact O-N 2.83Å; W757-K760 VanDerWaalsContact O-N 3.11Å; W757-H761 AromaticContact CE2-CD2 3.53Å; W757-H761 AromaticContact CZ2-CD2 3.47Å; W757-H761 VanDerWaalsContact CZ2-CD2 3.47Å; W757-H761 WeakPolarHBondContact CZ2-CD2 3.48Å; W757-H761 AromaticContact NE1-CD2 3.51Å; W757-H761 AromaticContact NE1-NE2 3.56Å; W757-H761 PolarHBondContact O-N 3.26Å; W757-F762 HydrophobicContact CH2-CE2 4.41Å; W757-F762 HydrophobicContact CZ3-CE2 4.19Å
758	F	67.1	Low	56.3	Low	106 Å²	106	124.3 Å²	124.3	47%	0.465	60%	0.598	S	S	.	*	H	α-helix	trans	-60.1	-46	173.6	-104.8	-85.2	0	0	0	111.3	I754 R755 K760 H761 F762	I754-F758 HydrophobicContact CG2-CD2 3.86Å; I754-F758 HydrophobicContact CG2-CE2 4.2Å; I754-F758 WeakPolarHBondContact O-CB 3.32Å; I754-F758 WeakPolarHBondContact O-CD2 3.36Å; I754-F758 PolarHBondContact O-N 3.3Å; R755-F758 PolarHBondContact O-N 3.15Å; F758-K760 PolarHBondContact O-N 3.28Å; F758-H761 PolarHBondContact O-N 3.24Å; F758-F762 HydrophobicContact CD1-CB 4.35Å; F758-F762 AromaticContact CD1-CD2 3.55Å; F758-F762 HydrophobicContact CD1-CD2 3.55Å; F758-F762 HydrophobicContact CD1-CE2 4.2Å; F758-F762 HydrophobicContact CD1-CG 4.2Å; F758-F762 AromaticContact CE1-CD2 3.68Å; F758-F762 HydrophobicContact CE1-CD2 3.68Å; F758-F762 AromaticContact CE1-CE2 3.91Å; F758-F762 HydrophobicContact CE1-CE2 3.91Å; F758-F762 HydrophobicContact CE1-CG 4.37Å; F758-F762 HydrophobicContact CG-CD2 4.36Å; F758-F762 HydrophobicContact CZ-CE2 4.46Å; F758-F762 CarbonylContact O-C 3.45Å; F758-F762 WeakPolarHBondContact O-CA 3.34Å; F758-F762 WeakPolarHBondContact O-CB 3.47Å; F758-F762 PolarHBondContact O-N 3.3Å
759	N	62.9	Low	54.7	Low	107 Å²	107	125.9 Å²	125.9	57%	0.572	61%	0.608	S	S	*	*	H	α-helix	trans	-62.6	-30.1	175.7	-77.2	-15.5	0	0	0	112.6	R755 W757	R755-N759 WeakPolarHBondContact O-CB 3.42Å; R755-N759 PolarHBondContact O-N 3.43Å; W757-N759 PolarHBondContact O-N 2.83Å
760	K	60.2	Low	53.4	Low	167 Å²	167	126.7 Å²	126.7	73%	0.726	62%	0.621	S	S	*	*	H	α-helix	trans	-83.3	-30.1	-179.6	-161.5	176.4	-174.7	-178.8	0	113.5	D756 W757 F758	D756-K760 VanDerWaalsContact O-CB 3.29Å; D756-K760 WeakPolarHBondContact O-CB 3.09Å; D756-K760 PolarHBondContact O-N 2.85Å; W757-K760 PolarHBondContact O-N 2.83Å; W757-K760 VanDerWaalsContact O-N 3.11Å; F758-K760 PolarHBondContact O-N 3.28Å
761	H	61.4	Low	51.5	Low	119 Å²	119	129.8 Å²	129.8	55%	0.551	64%	0.636	S	S	*	*	H	α-helix	trans	-105.1	-32.8	-176	-81.7	20.2	0	0	0	113.8	W757 F758	W757-H761 AromaticContact CE2-CD2 3.53Å; W757-H761 AromaticContact CZ2-CD2 3.47Å; W757-H761 VanDerWaalsContact CZ2-CD2 3.47Å; W757-H761 WeakPolarHBondContact CZ2-CD2 3.48Å; W757-H761 AromaticContact NE1-CD2 3.51Å; W757-H761 AromaticContact NE1-NE2 3.56Å; W757-H761 PolarHBondContact O-N 3.26Å; F758-H761 PolarHBondContact O-N 3.24Å
762	F	52.5	Low	50	Low	124 Å²	124	138 Å²	138	54%	0.544	66%	0.661	S	S	.	*			trans	-104.4	83.7	173.3	-65.8	-84.2	0	0	0	107.8	W757 F758 C764	W757-F762 HydrophobicContact CH2-CE2 4.41Å; W757-F762 HydrophobicContact CZ3-CE2 4.19Å; F758-F762 HydrophobicContact CD1-CB 4.35Å; F758-F762 AromaticContact CD1-CD2 3.55Å; F758-F762 HydrophobicContact CD1-CD2 3.55Å; F758-F762 HydrophobicContact CD1-CE2 4.2Å; F758-F762 HydrophobicContact CD1-CG 4.2Å; F758-F762 AromaticContact CE1-CD2 3.68Å; F758-F762 HydrophobicContact CE1-CD2 3.68Å; F758-F762 AromaticContact CE1-CE2 3.91Å; F758-F762 HydrophobicContact CE1-CE2 3.91Å; F758-F762 HydrophobicContact CE1-CG 4.37Å; F758-F762 HydrophobicContact CG-CD2 4.36Å; F758-F762 HydrophobicContact CZ-CE2 4.46Å; F758-F762 CarbonylContact O-C 3.45Å; F758-F762 WeakPolarHBondContact O-CA 3.34Å; F758-F762 WeakPolarHBondContact O-CB 3.47Å; F758-F762 PolarHBondContact O-N 3.3Å; F762-C764 PolarHBondContact O-N 3.35Å
763	H	44.5	Very low	49.4	Very low	174 Å²	174	137.2 Å²	137.2	81%	0.806	67%	0.665	S	S	*	*			trans	-61.4	79.8	154.8	-88.9	-49	0	0	0	108	S765	H763-S765 VanDerWaalsContact C-N 3.33Å; H763-S765 PolarHBondContact O-N 3.48Å
764	C	38.2	Very low	48.4	Very low	108 Å²	108	134.6 Å²	134.6	73%	0.73	66%	0.663	S	S	*	*			trans	-66.6	104.9	159.2	-122.6	0	0	0	0	105	F762 K766	F762-C764 PolarHBondContact O-N 3.35Å; C764-K766 PolarHBondContact O-N 3.07Å
765	S	35.4	Very low	47.1	Very low	107 Å²	107	137.7 Å²	137.7	75%	0.748	68%	0.677	S	S	*	*			trans	-59.8	77.2	168.9	59.3	0	0	0	0	108.9	H763 T767	H763-S765 VanDerWaalsContact C-N 3.33Å; H763-S765 PolarHBondContact O-N 3.48Å; S765-T767 PolarHBondContact O-N 3.45Å; S765-T767 VanDerWaalsContact O-N 3.17Å
766	K	33.7	Very low	45.7	Very low	188 Å²	188	137.9 Å²	137.9	82%	0.817	69%	0.687	S	S	*	*			trans	-85.8	82.3	164.6	-84.7	-170	174.3	-175	0	107.3	C764	C764-K766 PolarHBondContact O-N 3.07Å
767	T	30.9	Very low	44.2	Very low	124 Å²	124	141.8 Å²	141.8	76%	0.761	71%	0.705	S	S	*	*			trans	-51	131.6	145.1	40.4	0	0	0	0	108.9	S765	S765-T767 PolarHBondContact O-N 3.45Å; S765-T767 VanDerWaalsContact O-N 3.17Å
768	S	26.9	Very low	42	Very low	101 Å²	101	142.4 Å²	142.4	71%	0.706	72%	0.718	S	S	*	*	S	Bend	trans	67.3	109.4	167.2	82.5	0	0	0	0	119.4
769	N	27.9	Very low	40.2	Very low	136 Å²	136	145 Å²	145	73%	0.727	74%	0.736	S	S	*	*				71	124.3	119	-71.9	15.2	0	0	0	121.4
770	D	28.8	Very low	38.4	Very low	134 Å²	134	147.9 Å²	147.9	72%	0.717	75%	0.749	S	S	*	*			trans	75.6	134.4	137.6	-57.9	-29.6	0	0	0	119.5
771	I	28.3	Very low	36.6	Very low	146 Å²	146	146.3 Å²	146.3	75%	0.749	75%	0.751	S	S	*	*			trans	92.2	81.9	159.2	-49.6	156.2	0	0	0	116.3
772	Y	30.9	Very low	34.4	Very low	295 Å²	295	148.8 Å²	148.8	100%	1.157	77%	0.769	S	S	*	*				166.5	0	114.4	-102.9	-73.8	0	0	0	113

Retrieved 772 of 772 residues in 845.8 ms (Link to these results)

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