A0A3Q0KE83_SCHMA Loading...

cardiolipin synthase (CMP-forming)

AlphaFold DB , UniProt , Accession A0A3Q0KE83, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 251 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.6	Very low	34.5	Very low	241 Å²	241	169.7 Å²	169.7	100%	1.187	88%	0.883	S	S	*	*				0	90.8	0	-85.5	167.8	69.5	0	0	110
2	K	30.6	Very low	34.4	Very low	204 Å²	204	167.3 Å²	167.3	89%	0.887	88%	0.882	S	S	*	*			trans	-177.6	156.5	164.2	-105.4	165.7	-174	-179.7	0	106.2
3	V	35.5	Very low	34.5	Very low	139 Å²	139	170.4 Å²	170.4	84%	0.842	88%	0.884	S	S	*	*			trans	87.2	64.2	177.2	-157.7	0	0	0	0	115.2
4	V	41.7	Very low	34.3	Very low	147 Å²	147	169.6 Å²	169.6	89%	0.891	87%	0.873	S	S	*	*				-155	77	127.9	-170.8	0	0	0	0	108.4
5	R	34.2	Very low	34.2	Very low	232 Å²	232	167.3 Å²	167.3	88%	0.875	87%	0.87	S	S	*	*			trans	-118	110.6	150.5	-94	-172.6	-164.4	176.3	4.7	103.8
6	Q	34.3	Very low	34.1	Very low	159 Å²	159	163.6 Å²	163.6	74%	0.743	86%	0.863	S	S	*	*			trans	165.5	75.2	151.8	-81.3	-30.1	-43.7	0	0	108.7
7	L	35.6	Very low	34	Very low	185 Å²	185	158.1 Å²	158.1	97%	0.969	85%	0.854	S	S	*	*			trans	-145.4	56	153.8	-75.2	-177.9	0	0	0	108.1
8	K	33.4	Very low	33.8	Very low	192 Å²	192	158.8 Å²	158.8	84%	0.835	86%	0.856	S	S	*	*			trans	-115.9	100.3	159.9	-93.2	-167.3	177.1	-171.5	0	106.1
9	S	34.1	Very low	33.7	Very low	119 Å²	119	157.5 Å²	157.5	83%	0.832	86%	0.859	S	S	*	*			trans	158.8	97	151.9	-76.3	0	0	0	0	108.2
10	C	33.5	Very low	33.6	Very low	132 Å²	132	155.3 Å²	155.3	89%	0.892	85%	0.851	S	S	*	*			trans	-141.5	132.2	144.4	-107.4	0	0	0	0	108.5
11	P	34.4	Very low	33.6	Very low	117 Å²	117	155.6 Å²	155.6	76%	0.76	85%	0.85	S	S	*	*			trans	-97.2	158.8	-158.6	16.8	3.8	0	0	0	112.4	F13	P11-F13 PolarHBondContact O-N 2.76Å
12	T	33.1	Very low	33.6	Very low	141 Å²	141	156.2 Å²	156.2	87%	0.865	84%	0.84	S	S	*	*			trans	-33.1	120.2	163.5	47.4	0	0	0	0	114.2
13	F	35	Very low	34	Very low	207 Å²	207	157 Å²	157	91%	0.908	84%	0.837	S	S	*	*			trans	-118.3	138.3	162.1	-153.9	-104	0	0	0	110.7	P11	P11-F13 PolarHBondContact O-N 2.76Å
14	H	32.4	Very low	34.1	Very low	159 Å²	159	157.5 Å²	157.5	74%	0.736	83%	0.834	S	S	*	*			trans	-84.3	140.9	-149.3	-160.6	-76.2	0	0	0	112.3
15	V	33.3	Very low	33.9	Very low	136 Å²	136	160.4 Å²	160.4	82%	0.824	84%	0.835	S	S	*	*			trans	-85.2	121.8	177.1	178.7	0	0	0	0	108.8
16	S	32.5	Very low	34.2	Very low	108 Å²	108	157.3 Å²	157.3	76%	0.755	83%	0.834	S	S	*	*			trans	-162.2	115.7	163.5	47	0	0	0	0	110.3
17	G	31.6	Very low	34.6	Very low	69 Å²	69	157.4 Å²	157.4	71%	0.711	84%	0.839	S	S	*	*	S	Bend	trans	118.2	114.9	157.1	0	0	0	0	0	116
18	L	30.8	Very low	34.5	Very low	171 Å²	171	154.3 Å²	154.3	90%	0.895	82%	0.823	S	S	*	*			trans	73	72.5	156.3	-67.2	124.8	0	0	0	117.8
19	C	30.8	Very low	34.9	Very low	135 Å²	135	155.1 Å²	155.1	91%	0.912	82%	0.821	S	S	*	*			trans	-129.4	71.8	153	-159.8	0	0	0	0	109.3
20	T	32.5	Very low	35	Very low	113 Å²	113	154.5 Å²	154.5	69%	0.693	81%	0.813	S	S	*	*			trans	-103.1	117.9	165.4	35.1	0	0	0	0	108.8
21	L	33.5	Very low	35.3	Very low	161 Å²	161	154.4 Å²	154.4	84%	0.843	80%	0.802	S	S	*	*			trans	88.9	39.6	147.3	-58.9	160.9	0	0	0	119.8
22	W	33.1	Very low	35.5	Very low	255 Å²	255	155.4 Å²	155.4	97%	0.966	81%	0.806	S	S	*	*			trans	-103.2	86	149.8	-122.2	76.6	0	0	0	111.4	L24	W22-L24 PolarHBondContact O-N 2.99Å
23	R	37.8	Very low	35.6	Very low	219 Å²	219	156.5 Å²	156.5	83%	0.826	80%	0.8	S	S	*	*			trans	-32.9	100.9	165.4	-170.9	176	-166.5	-115	5.6	114
24	L	38.1	Very low	35.6	Very low	151 Å²	151	151.6 Å²	151.6	79%	0.791	79%	0.79	S	S	*	*				-177.7	120.3	119.1	-98.9	144.4	0	0	0	110.5	W22 I26	W22-L24 PolarHBondContact O-N 2.99Å; L24-I26 PolarHBondContact O-N 3.37Å; L24-I26 VanDerWaalsContact O-N 3.08Å
25	K	38.4	Very low	36	Very low	208 Å²	208	151.5 Å²	151.5	90%	0.904	79%	0.79	S	S	*	*			trans	-60.7	104.8	-175.6	-139.2	168.5	-176.8	178.7	0	108.7	L27	K25-L27 PolarHBondContact O-N 3.23Å
26	I	40.3	Very low	36.5	Very low	167 Å²	167	150.4 Å²	150.4	86%	0.856	78%	0.783	S	S	*	*			trans	-56.5	108.2	171.9	-88	151.1	0	0	0	108.5	L24 N28	L24-I26 PolarHBondContact O-N 3.37Å; L24-I26 VanDerWaalsContact O-N 3.08Å; I26-N28 PolarHBondContact O-N 3.43Å
27	L	41.4	Very low	36.9	Very low	160 Å²	160	151.9 Å²	151.9	84%	0.838	78%	0.782	S	S	*	*			trans	-71.7	108.7	169	-167	74.3	0	0	0	106.8	K25	K25-L27 PolarHBondContact O-N 3.23Å
28	N	35.1	Very low	37.6	Very low	120 Å²	120	154.7 Å²	154.7	64%	0.642	79%	0.786	S	S	*	*			trans	49.3	119.3	134.5	-143.2	10	0	0	0	118.1	I26	I26-N28 PolarHBondContact O-N 3.43Å
29	R	41.4	Very low	38.8	Very low	209 Å²	209	152.9 Å²	152.9	79%	0.789	78%	0.782	S	S	*	*			trans	81.2	112.9	139.9	-97.3	174.5	-176.9	-124.9	1.9	119.1
30	T	36.1	Very low	39.5	Very low	107 Å²	107	150.6 Å²	150.6	66%	0.656	77%	0.765	S	S	*	*				87.2	112.3	127.8	32.4	0	0	0	0	120.4
31	I	38.9	Very low	40.6	Very low	129 Å²	129	150.2 Å²	150.2	66%	0.662	77%	0.773	S	S	*	*			trans	70.3	88	132.1	-55	161.1	0	0	0	114.6	H33	I31-H33 VanDerWaalsContact C-N 3.32Å; I31-H33 PolarHBondContact O-N 3.06Å
32	V	38.7	Very low	41.6	Very low	139 Å²	139	148.6 Å²	148.6	84%	0.842	77%	0.765	S	S	*	*			trans	-65.2	97.3	154.8	-174.8	0	0	0	0	107	C34	V32-C34 PolarHBondContact O-N 3.1Å
33	H	35.4	Very low	42.8	Very low	163 Å²	163	144.9 Å²	144.9	76%	0.755	76%	0.759	S	S	*	*			trans	-68	84.7	170.6	-133.4	-96.7	0	0	0	107.6	I31 H35	I31-H33 VanDerWaalsContact C-N 3.32Å; I31-H33 PolarHBondContact O-N 3.06Å; H33-H35 VanDerWaalsContact C-N 3.31Å; H33-H35 PolarHBondContact O-N 3.39Å
34	C	36.5	Very low	43.6	Very low	104 Å²	104	143.6 Å²	143.6	70%	0.703	76%	0.759	S	S	*	*			trans	-73.7	91.4	174.4	-158.7	0	0	0	0	107.4	V32 V36	V32-C34 PolarHBondContact O-N 3.1Å; C34-V36 PolarHBondContact O-N 3.08Å
35	H	39.7	Very low	44.4	Very low	157 Å²	157	145.8 Å²	145.8	73%	0.727	76%	0.763	S	S	*	*			trans	-69.7	83.5	175.8	-145.3	-8.2	0	0	0	107.9	H33 L37	H33-H35 VanDerWaalsContact C-N 3.31Å; H33-H35 PolarHBondContact O-N 3.39Å; H35-L37 VanDerWaalsContact C-N 3.34Å; H35-L37 PolarHBondContact O-N 3.44Å
36	V	43.9	Very low	45.6	Very low	113 Å²	113	140.5 Å²	140.5	69%	0.685	75%	0.752	S	S	*	*			trans	-67.7	99.3	168.5	176.6	0	0	0	0	106.3	C34 T38	C34-V36 PolarHBondContact O-N 3.08Å; V36-T38 PolarHBondContact O-N 3.14Å
37	L	41	Very low	46.6	Very low	140 Å²	140	138 Å²	138	73%	0.733	75%	0.745	S	S	*	*			trans	-61.3	105.7	170.7	-67.4	168.1	0	0	0	108	H35 V39	H35-L37 VanDerWaalsContact C-N 3.34Å; H35-L37 PolarHBondContact O-N 3.44Å; L37-V39 PolarHBondContact O-N 3.07Å; L37-V39 VanDerWaalsContact O-N 3.11Å
38	T	47.3	Very low	47.2	Very low	128 Å²	128	136.3 Å²	136.3	79%	0.785	74%	0.743	S	S	*	*			trans	-62.7	104.3	163.7	36.3	0	0	0	0	108	V36 P40	V36-T38 PolarHBondContact O-N 3.14Å; T38-P40 WeakPolarHBondContact O-CD 3.41Å
39	V	54.9	Low	48.4	Very low	133 Å²	133	141.6 Å²	141.6	81%	0.806	75%	0.754	S	S	*	*			trans	-70.8	113.3	170.6	-178.1	0	0	0	0	107.2	L37 A41	L37-V39 PolarHBondContact O-N 3.07Å; L37-V39 VanDerWaalsContact O-N 3.11Å; V39-A41 PolarHBondContact O-N 3.42Å
40	P	45.1	Very low	49.1	Very low	86 Å²	86	139.8 Å²	139.8	56%	0.558	75%	0.752	S	S	*	*			trans	-71.1	133.2	-178.3	30.4	-33.6	0	0	0	110	T38 N42	T38-P40 WeakPolarHBondContact O-CD 3.41Å; P40-N42 VanDerWaalsContact CB-OD1 3.3Å; P40-N42 WeakPolarHBondContact CB-OD1 3.43Å; P40-N42 WeakPolarHBondContact CG-OD1 3.32Å; P40-N42 PolarHBondContact O-N 3.14Å; P40-N42 PolarHBondContact O-OD1 3.4Å
41	A	56.6	Low	49.9	Very low	105 Å²	105	140.1 Å²	140.1	87%	0.868	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-74.8	18.5	-172.9	0	0	0	0	0	114.7	V39	V39-A41 PolarHBondContact O-N 3.42Å
42	N	54.5	Low	50.5	Low	127 Å²	127	140.1 Å²	140.1	68%	0.679	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-88.9	4.7	-176.5	52	-18.1	0	0	0	114.3	P40	P40-N42 VanDerWaalsContact CB-OD1 3.3Å; P40-N42 WeakPolarHBondContact CB-OD1 3.43Å; P40-N42 WeakPolarHBondContact CG-OD1 3.32Å; P40-N42 PolarHBondContact O-N 3.14Å; P40-N42 PolarHBondContact O-OD1 3.4Å
43	H	57	Low	51.3	Low	178 Å²	178	140.6 Å²	140.6	82%	0.824	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-96.9	4.1	-176.8	-120.9	-46.5	0	0	0	116.7
44	F	54.6	Low	52.2	Low	191 Å²	191	139 Å²	139	84%	0.838	74%	0.74	S	S	*	*			trans	-91.1	8.2	-177.9	-143.1	-99.4	0	0	0	115.3	S46	F44-S46 PolarHBondContact O-N 3.01Å
45	F	56	Low	53.1	Low	198 Å²	198	141 Å²	141	87%	0.868	74%	0.737	S	S	*	*			trans	-77.7	79.4	167.7	-124.1	-85	0	0	0	109.5	T47	F45-T47 PolarHBondContact O-N 3.15Å
46	S	62.4	Low	53.9	Low	97 Å²	97	138.4 Å²	138.4	68%	0.678	73%	0.727	S	S	*	*			trans	-70.5	106.4	161.9	-57.4	0	0	0	0	106.8	F44	F44-S46 PolarHBondContact O-N 3.01Å
47	T	62.5	Low	54.7	Low	114 Å²	114	141.4 Å²	141.4	70%	0.699	73%	0.731	S	S	*	*			trans	-55	139	166	46.9	0	0	0	0	108.4	F45 R49	F45-T47 PolarHBondContact O-N 3.15Å; T47-R49 PolarHBondContact O-N 3.05Å
48	P	53.7	Low	56.3	Low	125 Å²	125	135.4 Å²	135.4	81%	0.812	70%	0.7	S	S	*	*			trans	-55.7	121.2	174.8	21.7	-30.1	0	0	0	107.9	K50	P48-K50 PolarHBondContact O-N 2.67Å
49	R	59.4	Low	57.8	Low	230 Å²	230	134.2 Å²	134.2	87%	0.868	69%	0.688	S	S	*	*			trans	-48	111.8	-179.1	-166.7	-169.7	-132.8	166.4	2.9	107.7	T47 D51	T47-R49 PolarHBondContact O-N 3.05Å; R49-D51 PolarHBondContact O-N 3.27Å
50	K	56.3	Low	58.7	Low	171 Å²	171	129.1 Å²	129.1	74%	0.743	66%	0.657	S	S	*	*			trans	-46.3	116.7	165.4	-174.3	173.2	-175.9	172.1	0	106.1	P48 N52	P48-K50 PolarHBondContact O-N 2.67Å; K50-N52 PolarHBondContact O-N 3.27Å
51	D	53.2	Low	60.4	Low	115 Å²	115	126.5 Å²	126.5	62%	0.615	64%	0.639	S	S	*	*			trans	-56.9	96.7	171.8	52.4	-20.6	0	0	0	106.6	R49 H53	R49-D51 PolarHBondContact O-N 3.27Å; D51-H53 PolarHBondContact O-N 3.06Å; D51-H53 IonicContact OD2-CD2 3.9Å; D51-H53 IonicContact OD2-NE2 3.66Å
52	N	51.7	Low	61.7	Low	128 Å²	128	126.7 Å²	126.7	68%	0.684	62%	0.624	S	S	*	*			trans	-64.2	86.8	164	-63.9	-49.3	0	0	0	104.5	K50 I54	K50-N52 PolarHBondContact O-N 3.27Å; N52-I54 PolarHBondContact O-N 2.93Å
53	H	55.2	Low	63.1	Low	150 Å²	150	122.4 Å²	122.4	69%	0.694	60%	0.601	S	S	*	*			trans	-48.4	104.7	149	-77.6	-78	0	0	0	103.7	D51 K55	D51-H53 PolarHBondContact O-N 3.06Å; D51-H53 IonicContact OD2-CD2 3.9Å; D51-H53 IonicContact OD2-NE2 3.66Å; H53-K55 VanDerWaalsContact C-N 3.31Å; H53-K55 PolarHBondContact O-N 3.08Å
54	I	54.6	Low	64.5	Low	130 Å²	130	114 Å²	114	67%	0.667	56%	0.562	S	S	*	*			trans	-48.5	111.4	168.7	-60.8	172.2	0	0	0	102.1	N52 I56	N52-I54 PolarHBondContact O-N 2.93Å; I54-I56 HydrophobicContact CB-CG1 4.04Å; I54-I56 HydrophobicContact CG2-CG1 3.66Å; I54-I56 WeakPolarHBondContact O-CG1 3.39Å; I54-I56 PolarHBondContact O-N 3.31Å
55	K	56.5	Low	66	Low	146 Å²	146	106.9 Å²	106.9	64%	0.635	54%	0.539	S	S	*	.			trans	-70.9	78.2	175.8	-71.2	-175.5	-179.9	-178.2	0	104.7	H53 F57 T58	H53-K55 VanDerWaalsContact C-N 3.31Å; H53-K55 PolarHBondContact O-N 3.08Å; K55-F57 PolarHBondContact O-N 3Å; K55-T58 HydrophobicContact CB-CG2 4.17Å; K55-T58 VanDerWaalsContact O-CG2 3.32Å; K55-T58 WeakPolarHBondContact O-CG2 3.36Å
56	I	56.6	Low	67.5	Low	102 Å²	102	99.5 Å²	99.5	52%	0.523	51%	0.512	S	S	.	.			trans	-63	-36	177.2	-60.9	167.2	0	0	0	107.3	I54 T58 N61	I54-I56 HydrophobicContact CB-CG1 4.04Å; I54-I56 HydrophobicContact CG2-CG1 3.66Å; I54-I56 WeakPolarHBondContact O-CG1 3.39Å; I54-I56 PolarHBondContact O-N 3.31Å; I56-T58 PolarHBondContact O-N 3.4Å; I56-N61 PolarHBondContact O-ND2 2.8Å
57	F	60.1	Low	68.8	Low	176 Å²	176	95 Å²	95	77%	0.772	48%	0.48	S	S	*	.			trans	-88.3	75.2	173.1	-64.9	-79.8	0	0	0	111.2	K55	K55-F57 PolarHBondContact O-N 3Å
58	T	74.7	Confident	70.2	Confident	13 Å²	13	92.9 Å²	92.9	8%	0.08	46%	0.464	C	S	.	.			trans	-88.3	150.6	157.1	63.9	0	0	0	0	109	K55 I56 P60 N61 L62 Q110	K55-T58 HydrophobicContact CB-CG2 4.17Å; K55-T58 VanDerWaalsContact O-CG2 3.32Å; K55-T58 WeakPolarHBondContact O-CG2 3.36Å; I56-T58 PolarHBondContact O-N 3.4Å; T58-P60 VanDerWaalsContact C-CD 3.47Å; T58-P60 VanDerWaalsContact C-N 3.3Å; T58-N61 PolarHBondContact O-N 2.98Å; T58-N61 VanDerWaalsContact O-N 3.12Å; T58-N61 WeakPolarHBondContact OG1-CB 3.47Å; T58-N61 PolarHBondContact OG1-N 3.39Å; T58-L62 PolarHBondContact O-N 3.37Å; T58-L62 VanDerWaalsContact O-N 3.16Å; T58-Q110 WeakPolarHBondContact CG2-O 3.45Å
59	I	78.3	Confident	72	Confident	104 Å²	104	91.7 Å²	91.7	53%	0.533	45%	0.454	S	S	.	.	H	α-helix	trans	-52.1	-45.7	177.4	-63.3	166	0	0	0	111.3	N61 L62 I63	I59-N61 PolarHBondContact O-N 3.12Å; I59-L62 PolarHBondContact O-N 3.15Å; I59-I63 HydrophobicContact CG2-CD1 3.96Å; I59-I63 WeakPolarHBondContact O-CG1 3.38Å; I59-I63 PolarHBondContact O-N 3.24Å
60	P	74.7	Confident	73.6	Confident	25 Å²	25	82.6 Å²	82.6	16%	0.162	42%	0.423	C	S	.	.	H	α-helix	trans	-61.2	-41.8	177.6	-24.3	35.6	0	0	0	113.3	T58 L62 I63 T64	T58-P60 VanDerWaalsContact C-CD 3.47Å; T58-P60 VanDerWaalsContact C-N 3.3Å; P60-L62 VanDerWaalsContact C-N 3.26Å; P60-L62 PolarHBondContact O-N 2.84Å; P60-I63 PolarHBondContact O-N 3.22Å; P60-I63 VanDerWaalsContact O-N 3.16Å; P60-T64 VanDerWaalsContact O-CG2 3.29Å; P60-T64 WeakPolarHBondContact O-CG2 3.19Å; P60-T64 PolarHBondContact O-N 3.37Å; P60-T64 PolarHBondContact O-OG1 3.09Å
61	N	80.7	Confident	75.4	Confident	32 Å²	32	75 Å²	75	17%	0.171	39%	0.391	C	S	.	.	H	α-helix	trans	-66.2	-30.1	-178.9	-168.9	48.6	0	0	0	112.5	I56 T58 I59 T64 A65	I56-N61 PolarHBondContact O-ND2 2.8Å; T58-N61 PolarHBondContact O-N 2.98Å; T58-N61 VanDerWaalsContact O-N 3.12Å; T58-N61 WeakPolarHBondContact OG1-CB 3.47Å; T58-N61 PolarHBondContact OG1-N 3.39Å; I59-N61 PolarHBondContact O-N 3.12Å; N61-T64 WeakPolarHBondContact CA-OG1 3.33Å; N61-T64 PolarHBondContact O-OG1 3.19Å; N61-T64 VanDerWaalsContact O-OG1 3.13Å; N61-A65 VanDerWaalsContact O-CB 3.23Å; N61-A65 WeakPolarHBondContact O-CB 3.46Å; N61-A65 PolarHBondContact O-N 3.46Å
62	L	82.4	Confident	77.4	Confident	108 Å²	108	73.4 Å²	73.4	57%	0.565	39%	0.386	S	S	*	.	H	α-helix	trans	-68.9	-38.8	175.1	-175	65.4	0	0	0	111.6	T58 I59 P60 S66	T58-L62 PolarHBondContact O-N 3.37Å; T58-L62 VanDerWaalsContact O-N 3.16Å; I59-L62 PolarHBondContact O-N 3.15Å; P60-L62 VanDerWaalsContact C-N 3.26Å; P60-L62 PolarHBondContact O-N 2.84Å; L62-S66 PolarHBondContact O-N 2.7Å
63	I	83.9	Confident	79.5	Confident	38 Å²	38	72 Å²	72	20%	0.195	37%	0.374	C	S	.	.	H	α-helix	trans	-74.3	-31.8	-179.2	-56.9	167.2	0	0	0	110.5	I59 P60 S66 R67 T96 D100	I59-I63 HydrophobicContact CG2-CD1 3.96Å; I59-I63 WeakPolarHBondContact O-CG1 3.38Å; I59-I63 PolarHBondContact O-N 3.24Å; P60-I63 PolarHBondContact O-N 3.22Å; P60-I63 VanDerWaalsContact O-N 3.16Å; I63-S66 PolarHBondContact O-N 3.35Å; I63-S66 PolarHBondContact O-OG 2.91Å; I63-R67 PolarHBondContact O-N 3.28Å; I63-T96 HydrophobicContact CG2-CG2 4.5Å; I63-D100 WeakPolarHBondContact CB-OD1 3.31Å; I63-D100 VanDerWaalsContact CB-OD2 3.23Å; I63-D100 WeakPolarHBondContact CB-OD2 3.38Å; I63-D100 WeakPolarHBondContact CD1-OD1 3.38Å; I63-D100 VanDerWaalsContact CG2-CG 3.42Å; I63-D100 WeakPolarHBondContact CG2-OD1 3.49Å; I63-D100 WeakPolarHBondContact CG2-OD2 3.49Å
64	T	86.6	Confident	81.4	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.006	34%	0.341	C	S	.	.	H	α-helix	trans	-74.4	-38.8	174.1	62.9	0	0	0	0	111.9	P60 N61 S66 R67 I68 D119	P60-T64 VanDerWaalsContact O-CG2 3.29Å; P60-T64 WeakPolarHBondContact O-CG2 3.19Å; P60-T64 PolarHBondContact O-N 3.37Å; P60-T64 PolarHBondContact O-OG1 3.09Å; N61-T64 WeakPolarHBondContact CA-OG1 3.33Å; N61-T64 PolarHBondContact O-OG1 3.19Å; N61-T64 VanDerWaalsContact O-OG1 3.13Å; T64-S66 VanDerWaalsContact C-N 3.31Å; T64-S66 PolarHBondContact O-N 2.96Å; T64-R67 VanDerWaalsContact CG2-NH2 3.29Å; T64-R67 PolarHBondContact O-N 3.31Å; T64-I68 WeakPolarHBondContact O-CG1 3.1Å; T64-I68 PolarHBondContact O-N 2.92Å; T64-I68 VanDerWaalsContact O-N 3.08Å; T64-D119 HydrophobicContact CG2-CB 3.95Å; T64-D119 WeakPolarHBondContact CG2-OD1 3.45Å
65	A	87	Confident	83.4	Confident	42 Å²	42	60.1 Å²	60.1	35%	0.347	32%	0.318	S	S	.	.	H	α-helix	trans	-61.3	-38	171.5	0	0	0	0	0	112.6	N61 I68 T69	N61-A65 VanDerWaalsContact O-CB 3.23Å; N61-A65 WeakPolarHBondContact O-CB 3.46Å; N61-A65 PolarHBondContact O-N 3.46Å; A65-I68 PolarHBondContact O-N 3.2Å; A65-T69 PolarHBondContact O-N 3.39Å; A65-T69 VanDerWaalsContact O-N 3.12Å; A65-T69 PolarHBondContact O-OG1 3.27Å
66	S	87.8	Confident	85.3	Confident	43 Å²	43	59.9 Å²	59.9	30%	0.301	32%	0.317	S	S	.	.	H	α-helix	trans	-63.4	-45.5	175.5	78.5	0	0	0	0	110.8	L62 I63 T64 I68 T69 L70	L62-S66 PolarHBondContact O-N 2.7Å; I63-S66 PolarHBondContact O-N 3.35Å; I63-S66 PolarHBondContact O-OG 2.91Å; T64-S66 VanDerWaalsContact C-N 3.31Å; T64-S66 PolarHBondContact O-N 2.96Å; S66-I68 PolarHBondContact O-N 3.46Å; S66-T69 CarbonylContact O-C 3.56Å; S66-T69 WeakPolarHBondContact O-CA 3.43Å; S66-T69 WeakPolarHBondContact O-CB 3.31Å; S66-T69 PolarHBondContact O-N 2.96Å; S66-L70 WeakPolarHBondContact O-CD1 3.26Å; S66-L70 PolarHBondContact O-N 3.31Å
67	R	89.2	Confident	87.1	Confident	1 Å²	1	55.3 Å²	55.3	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-43.7	176.4	-75.6	-176	-79.4	172.1	-17.4	113.4	I63 T64 T69 L70 T71 D97 D100 D123	I63-R67 PolarHBondContact O-N 3.28Å; T64-R67 VanDerWaalsContact CG2-NH2 3.29Å; T64-R67 PolarHBondContact O-N 3.31Å; R67-T69 PolarHBondContact O-N 2.6Å; R67-L70 PolarHBondContact O-N 3.36Å; R67-T71 PolarHBondContact O-N 3.34Å; R67-T71 PolarHBondContact O-OG1 2.93Å; R67-D97 IonicContact CZ-OD1 3.56Å; R67-D97 VanDerWaalsContact NH1-CB 3.33Å; R67-D97 VanDerWaalsContact NH1-CG 3.28Å; R67-D97 IonicContact NH1-OD1 3.63Å; R67-D97 PolarHBondContact NH1-OD1 3.4Å; R67-D97 IonicContact NH2-OD1 2.58Å; R67-D100 IonicContact CZ-OD2 3.62Å; R67-D100 IonicContact NE-OD2 3.87Å; R67-D100 IonicContact NH2-OD2 3.66Å; R67-D100 PolarHBondContact NH2-OD2 2.88Å; R67-D123 IonicContact CZ-OD1 3.81Å; R67-D123 IonicContact NH1-OD1 2.71Å; R67-D123 PolarHBondContact NH1-OD1 3.47Å; R67-D123 IonicContact NH1-OD2 2.7Å
68	I	91.3	Very high	88.7	Confident	70 Å²	70	47 Å²	47	36%	0.359	26%	0.258	S	S	.	.	H	α-helix	trans	-60.1	-39.4	176.1	-66.6	168.5	0	0	0	110.5	T64 A65 S66 P72 A122	T64-I68 WeakPolarHBondContact O-CG1 3.1Å; T64-I68 PolarHBondContact O-N 2.92Å; T64-I68 VanDerWaalsContact O-N 3.08Å; A65-I68 PolarHBondContact O-N 3.2Å; S66-I68 PolarHBondContact O-N 3.46Å; I68-P72 WeakPolarHBondContact O-CD 3.45Å; I68-A122 HydrophobicContact CD1-CB 4.22Å; I68-A122 HydrophobicContact CG1-CB 3.78Å
69	T	92.2	Very high	89.7	Confident	100 Å²	100	51.4 Å²	51.4	61%	0.613	28%	0.276	S	S	*	.	H	α-helix	trans	-74	-35.6	177.8	-51.6	0	0	0	0	112.4	A65 S66 R67 P72	A65-T69 PolarHBondContact O-N 3.39Å; A65-T69 VanDerWaalsContact O-N 3.12Å; A65-T69 PolarHBondContact O-OG1 3.27Å; S66-T69 CarbonylContact O-C 3.56Å; S66-T69 WeakPolarHBondContact O-CA 3.43Å; S66-T69 WeakPolarHBondContact O-CB 3.31Å; S66-T69 PolarHBondContact O-N 2.96Å; R67-T69 PolarHBondContact O-N 2.6Å; T69-P72 VanDerWaalsContact O-CD 3.31Å; T69-P72 WeakPolarHBondContact O-CD 3.5Å; T69-P72 WeakPolarHBondContact O-CG 3.41Å
70	L	93	Very high	90.4	Very high	40 Å²	40	50.1 Å²	50.1	21%	0.209	28%	0.277	C	S	.	.	H	α-helix	trans	-69	-33.1	177	-93.8	76.6	0	0	0	112.1	S66 R67 F73 I74 L89	S66-L70 WeakPolarHBondContact O-CD1 3.26Å; S66-L70 PolarHBondContact O-N 3.31Å; R67-L70 PolarHBondContact O-N 3.36Å; L70-F73 WeakPolarHBondContact O-CA 3.36Å; L70-F73 WeakPolarHBondContact O-CB 3.19Å; L70-F73 PolarHBondContact O-N 3.45Å; L70-I74 WeakPolarHBondContact O-CG1 3.32Å; L70-I74 PolarHBondContact O-N 3.4Å; L70-L89 HydrophobicContact CD2-CD2 4.35Å
71	T	94.5	Very high	91.1	Very high	11 Å²	11	53 Å²	53	7%	0.067	30%	0.298	C	S	.	.	H	α-helix	trans	-53.5	-56.1	-176.8	-61.2	0	0	0	0	113.4	R67 F73 I74 V75 L126	R67-T71 PolarHBondContact O-N 3.34Å; R67-T71 PolarHBondContact O-OG1 2.93Å; T71-F73 PolarHBondContact O-N 3.08Å; T71-I74 PolarHBondContact O-N 2.97Å; T71-V75 WeakPolarHBondContact O-CG2 3.29Å; T71-V75 PolarHBondContact O-N 3.43Å; T71-L126 HydrophobicContact CG2-CD1 4.47Å
72	P	95	Very high	91.7	Very high	81 Å²	81	54.4 Å²	54.4	53%	0.526	31%	0.305	S	S	.	.	H	α-helix	trans	-64.2	-27.8	177.4	26.6	-35.9	0	0	0	112.7	I68 T69 K76	I68-P72 WeakPolarHBondContact O-CD 3.45Å; T69-P72 VanDerWaalsContact O-CD 3.31Å; T69-P72 WeakPolarHBondContact O-CD 3.5Å; T69-P72 WeakPolarHBondContact O-CG 3.41Å; P72-K76 WeakPolarHBondContact O-CB 3.3Å; P72-K76 PolarHBondContact O-N 3.33Å
73	F	95.2	Very high	92.1	Very high	98 Å²	98	49.8 Å²	49.8	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-69.6	-40.8	176.6	-168.9	-122.7	0	0	0	111.8	L70 T71 K76 S77 M85 L89	L70-F73 WeakPolarHBondContact O-CA 3.36Å; L70-F73 WeakPolarHBondContact O-CB 3.19Å; L70-F73 PolarHBondContact O-N 3.45Å; T71-F73 PolarHBondContact O-N 3.08Å; F73-K76 PolarHBondContact O-N 3.23Å; F73-S77 PolarHBondContact O-N 3.25Å; F73-M85 HydrophobicContact CD1-CE 4.49Å; F73-M85 HydrophobicContact CE1-CE 3.33Å; F73-M85 HydrophobicContact CE2-CE 4.3Å; F73-M85 HydrophobicContact CZ-CE 3.2Å; F73-L89 HydrophobicContact CD1-CD1 3.32Å; F73-L89 HydrophobicContact CD1-CD2 4.01Å; F73-L89 HydrophobicContact CD1-CG 4.31Å; F73-L89 HydrophobicContact CE1-CD1 3.6Å; F73-L89 HydrophobicContact CE1-CD2 4.12Å; F73-L89 HydrophobicContact CE1-CG 4.47Å; F73-L89 HydrophobicContact CG-CD1 4.34Å
74	I	95.4	Very high	92.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-46.3	173.4	-58.9	159.9	0	0	0	110.3	L70 T71 K76 S77 I78 A86 L89 A93 L126 L130	L70-I74 WeakPolarHBondContact O-CG1 3.32Å; L70-I74 PolarHBondContact O-N 3.4Å; T71-I74 PolarHBondContact O-N 2.97Å; I74-K76 VanDerWaalsContact C-N 3.32Å; I74-K76 PolarHBondContact O-N 2.95Å; I74-S77 VanDerWaalsContact O-CB 3.31Å; I74-S77 WeakPolarHBondContact O-CB 3.17Å; I74-S77 PolarHBondContact O-N 2.71Å; I74-S77 VanDerWaalsContact O-N 3.08Å; I74-I78 HydrophobicContact CG2-CD1 4.1Å; I74-I78 HydrophobicContact CG2-CG1 4.45Å; I74-I78 WeakPolarHBondContact O-CG1 3.11Å; I74-I78 PolarHBondContact O-N 3.06Å; I74-A86 HydrophobicContact CG2-CB 4.19Å; I74-L89 HydrophobicContact CD1-CB 4.14Å; I74-L89 HydrophobicContact CG1-CB 3.49Å; I74-L89 VanDerWaalsContact CG1-CB 3.49Å; I74-L89 HydrophobicContact CG1-CD1 4.1Å; I74-L89 HydrophobicContact CG1-CG 4.44Å; I74-A93 HydrophobicContact CD1-CB 4.43Å; I74-L126 HydrophobicContact CD1-CD1 3.72Å; I74-L130 HydrophobicContact CB-CD2 4.03Å; I74-L130 HydrophobicContact CD1-CD2 4.49Å; I74-L130 HydrophobicContact CG2-CD2 3.26Å
75	V	96.3	Very high	92.9	Very high	31 Å²	31	55.1 Å²	55.1	19%	0.188	31%	0.314	C	S	.	.	H	α-helix	trans	-55.6	-49.1	176.6	171.4	0	0	0	0	110.4	T71 S77 I78 F79 S133	T71-V75 WeakPolarHBondContact O-CG2 3.29Å; T71-V75 PolarHBondContact O-N 3.43Å; V75-S77 VanDerWaalsContact C-N 3.28Å; V75-S77 PolarHBondContact O-N 2.91Å; V75-I78 PolarHBondContact O-N 3.24Å; V75-I78 VanDerWaalsContact O-N 3.15Å; V75-F79 HydrophobicContact CG1-CD2 3.8Å; V75-F79 HydrophobicContact CG1-CE2 3.8Å; V75-F79 VanDerWaalsContact O-CD2 3.32Å; V75-F79 WeakPolarHBondContact O-CD2 3.46Å; V75-F79 PolarHBondContact O-N 2.9Å; V75-F79 VanDerWaalsContact O-N 3.07Å; V75-S133 WeakPolarHBondContact CG1-OG 3.07Å
76	K	96.5	Very high	93.3	Very high	141 Å²	141	53.1 Å²	53.1	61%	0.613	30%	0.297	S	S	*	.	H	α-helix	trans	-58	-39.7	176.6	-175.2	-179.6	178.1	-177.2	0	112.4	P72 F73 I74 F79 S80	P72-K76 WeakPolarHBondContact O-CB 3.3Å; P72-K76 PolarHBondContact O-N 3.33Å; F73-K76 PolarHBondContact O-N 3.23Å; I74-K76 VanDerWaalsContact C-N 3.32Å; I74-K76 PolarHBondContact O-N 2.95Å; K76-F79 PolarHBondContact O-N 2.88Å; K76-S80 WeakPolarHBondContact O-CB 3.29Å; K76-S80 PolarHBondContact O-N 2.9Å; K76-S80 PolarHBondContact O-OG 3.01Å
77	S	94.6	Very high	93.7	Very high	7 Å²	7	52.4 Å²	52.4	5%	0.049	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-42	177	-162.8	0	0	0	0	112.1	F73 I74 V75 S80 S81 D82 M85 A86	F73-S77 PolarHBondContact O-N 3.25Å; I74-S77 VanDerWaalsContact O-CB 3.31Å; I74-S77 WeakPolarHBondContact O-CB 3.17Å; I74-S77 PolarHBondContact O-N 2.71Å; I74-S77 VanDerWaalsContact O-N 3.08Å; V75-S77 VanDerWaalsContact C-N 3.28Å; V75-S77 PolarHBondContact O-N 2.91Å; S77-S80 PolarHBondContact O-N 3.25Å; S77-S81 PolarHBondContact O-N 3.44Å; S77-D82 PolarHBondContact O-N 3.13Å; S77-D82 PolarHBondContact OG-O 2.67Å; S77-M85 WeakPolarHBondContact OG-CB 3.31Å; S77-A86 PolarHBondContact OG-N 2.99Å
78	I	94.3	Very high	94	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.2	-46.5	176.6	-64.3	166.3	0	0	0	110.6	I74 V75 S80 S81 A86 L130 L134 M137 M202	I74-I78 HydrophobicContact CG2-CD1 4.1Å; I74-I78 HydrophobicContact CG2-CG1 4.45Å; I74-I78 WeakPolarHBondContact O-CG1 3.11Å; I74-I78 PolarHBondContact O-N 3.06Å; V75-I78 PolarHBondContact O-N 3.24Å; V75-I78 VanDerWaalsContact O-N 3.15Å; I78-S80 VanDerWaalsContact C-N 3.25Å; I78-S80 PolarHBondContact O-N 3.29Å; I78-S81 PolarHBondContact O-N 3.47Å; I78-S81 VanDerWaalsContact O-N 3.08Å; I78-A86 HydrophobicContact CG1-CB 3.69Å; I78-L130 HydrophobicContact CD1-CD2 4Å; I78-L134 HydrophobicContact CD1-CD2 4.41Å; I78-L134 HydrophobicContact CD1-CG 4.45Å; I78-L134 HydrophobicContact CG2-CD2 4.27Å; I78-M137 HydrophobicContact CG2-CG 3.87Å; I78-M202 HydrophobicContact CD1-CE 3.62Å; I78-M202 HydrophobicContact CG1-CE 4.15Å
79	F	94.7	Very high	94.1	Very high	106 Å²	106	52.4 Å²	52.4	47%	0.465	30%	0.3	S	S	.	.	H	α-helix	trans	-68.5	-23.3	177.6	-82.9	-78.8	0	0	0	113.7	V75 K76 S81 V136 M137	V75-F79 HydrophobicContact CG1-CD2 3.8Å; V75-F79 HydrophobicContact CG1-CE2 3.8Å; V75-F79 VanDerWaalsContact O-CD2 3.32Å; V75-F79 WeakPolarHBondContact O-CD2 3.46Å; V75-F79 PolarHBondContact O-N 2.9Å; V75-F79 VanDerWaalsContact O-N 3.07Å; K76-F79 PolarHBondContact O-N 2.88Å; F79-S81 PolarHBondContact O-N 2.71Å; F79-V136 HydrophobicContact CE1-CG1 3.85Å; F79-V136 HydrophobicContact CZ-CB 4.37Å; F79-V136 HydrophobicContact CZ-CG1 3.96Å; F79-M137 HydrophobicContact CD1-SD 4.27Å
80	S	93.9	Very high	94.3	Very high	78 Å²	78	47.6 Å²	47.6	55%	0.545	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	5.5	173.8	-52.5	0	0	0	0	112.4	K76 S77 I78 D82	K76-S80 WeakPolarHBondContact O-CB 3.29Å; K76-S80 PolarHBondContact O-N 2.9Å; K76-S80 PolarHBondContact O-OG 3.01Å; S77-S80 PolarHBondContact O-N 3.25Å; I78-S80 VanDerWaalsContact C-N 3.25Å; I78-S80 PolarHBondContact O-N 3.29Å; S80-D82 PolarHBondContact O-N 2.94Å; S80-D82 VanDerWaalsContact O-N 3.1Å
81	S	88.2	Confident	94.3	Very high	86 Å²	86	48.5 Å²	48.5	60%	0.601	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	14.5	-174	-58.8	0	0	0	0	114.7	S77 I78 F79 L83	S77-S81 PolarHBondContact O-N 3.44Å; I78-S81 PolarHBondContact O-N 3.47Å; I78-S81 VanDerWaalsContact O-N 3.08Å; F79-S81 PolarHBondContact O-N 2.71Å; S81-L83 VanDerWaalsContact C-N 3.32Å; S81-L83 PolarHBondContact O-N 3.4Å; S81-L83 VanDerWaalsContact O-N 3.14Å
82	D	92.6	Very high	94.3	Very high	61 Å²	61	51.9 Å²	51.9	33%	0.326	30%	0.298	S	S	.	.			trans	-88.6	76	172.1	-169.3	-10.1	0	0	0	109.4	S77 S80 S84 M85 A86	S77-D82 PolarHBondContact O-N 3.13Å; S77-D82 PolarHBondContact OG-O 2.67Å; S80-D82 PolarHBondContact O-N 2.94Å; S80-D82 VanDerWaalsContact O-N 3.1Å; D82-S84 PolarHBondContact O-N 2.95Å; D82-S84 PolarHBondContact OD1-N 3.46Å; D82-S84 PolarHBondContact OD1-OG 3.41Å; D82-M85 HydrophobicContact CB-CB 4.38Å; D82-M85 VanDerWaalsContact CG-CB 3.49Å; D82-M85 PolarHBondContact OD1-N 3.01Å; D82-M85 WeakPolarHBondContact OD2-CB 3.45Å; D82-A86 WeakPolarHBondContact O-CB 3.38Å; D82-A86 PolarHBondContact O-N 3.09Å; D82-A86 VanDerWaalsContact O-N 3.12Å
83	L	91.4	Very high	94.2	Very high	11 Å²	11	48 Å²	48	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-66.7	-24	177.6	-67	179	0	0	0	112.1	S81 A86 L87 F139 P205 L206	S81-L83 VanDerWaalsContact C-N 3.32Å; S81-L83 PolarHBondContact O-N 3.4Å; S81-L83 VanDerWaalsContact O-N 3.14Å; L83-A86 PolarHBondContact O-N 3.27Å; L83-L87 WeakPolarHBondContact O-CB 3.06Å; L83-L87 PolarHBondContact O-N 2.94Å; L83-F139 HydrophobicContact CD1-CE1 4.31Å; L83-F139 HydrophobicContact CD1-CE2 3.95Å; L83-F139 HydrophobicContact CD1-CZ 3.82Å; L83-F139 HydrophobicContact CD2-CD2 4.45Å; L83-F139 HydrophobicContact CD2-CE2 4.19Å; L83-P205 HydrophobicContact CD1-CB 3.75Å; L83-P205 HydrophobicContact CD1-CG 3.95Å; L83-L206 HydrophobicContact CB-CD1 4.17Å; L83-L206 HydrophobicContact CB-CD2 3.75Å; L83-L206 HydrophobicContact CB-CG 3.92Å
84	S	93.7	Very high	94	Very high	72 Å²	72	43.9 Å²	43.9	50%	0.503	26%	0.258	S	S	.	.	H	α-helix	trans	-68.6	-45.8	-178.6	74.9	0	0	0	0	111	D82 G88	D82-S84 PolarHBondContact O-N 2.95Å; D82-S84 PolarHBondContact OD1-N 3.46Å; D82-S84 PolarHBondContact OD1-OG 3.41Å; S84-G88 PolarHBondContact O-N 2.98Å; S84-G88 VanDerWaalsContact O-N 3.08Å
85	M	94.7	Very high	93.8	Very high	78 Å²	78	47.6 Å²	47.6	38%	0.384	28%	0.281	S	S	.	.	H	α-helix	trans	-68.9	-40.9	174.2	-177.9	175.5	-163.9	0	0	111.4	F73 S77 D82 L87 G88 L89	F73-M85 HydrophobicContact CD1-CE 4.49Å; F73-M85 HydrophobicContact CE1-CE 3.33Å; F73-M85 HydrophobicContact CE2-CE 4.3Å; F73-M85 HydrophobicContact CZ-CE 3.2Å; S77-M85 WeakPolarHBondContact OG-CB 3.31Å; D82-M85 HydrophobicContact CB-CB 4.38Å; D82-M85 VanDerWaalsContact CG-CB 3.49Å; D82-M85 PolarHBondContact OD1-N 3.01Å; D82-M85 WeakPolarHBondContact OD2-CB 3.45Å; M85-L87 VanDerWaalsContact C-N 3.35Å; M85-L87 PolarHBondContact O-N 2.61Å; M85-G88 PolarHBondContact O-N 2.98Å; M85-L89 HydrophobicContact CE-CD1 4.41Å; M85-L89 HydrophobicContact CG-CD1 3.95Å; M85-L89 HydrophobicContact CG-CG 4.48Å; M85-L89 WeakPolarHBondContact O-CB 3.35Å; M85-L89 VanDerWaalsContact O-CG 3.29Å; M85-L89 WeakPolarHBondContact O-CG 3.37Å; M85-L89 PolarHBondContact O-N 3.19Å
86	A	94.9	Very high	93.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-43.6	176.2	0	0	0	0	0	112.2	I74 S77 I78 D82 L83 T90	I74-A86 HydrophobicContact CG2-CB 4.19Å; S77-A86 PolarHBondContact OG-N 2.99Å; I78-A86 HydrophobicContact CG1-CB 3.69Å; D82-A86 WeakPolarHBondContact O-CB 3.38Å; D82-A86 PolarHBondContact O-N 3.09Å; D82-A86 VanDerWaalsContact O-N 3.12Å; L83-A86 PolarHBondContact O-N 3.27Å; A86-T90 VanDerWaalsContact O-CB 3.26Å; A86-T90 WeakPolarHBondContact O-CB 3.33Å; A86-T90 PolarHBondContact O-N 3.07Å; A86-T90 PolarHBondContact O-OG1 2.89Å
87	L	95.3	Very high	92.9	Very high	28 Å²	28	43.4 Å²	43.4	15%	0.147	27%	0.265	C	S	.	.	H	α-helix	trans	-61.4	-50.4	176.3	-178.5	74.3	0	0	0	110.6	L83 M85 L89 T90 V91 I199 M202 T203 L206	L83-L87 WeakPolarHBondContact O-CB 3.06Å; L83-L87 PolarHBondContact O-N 2.94Å; M85-L87 VanDerWaalsContact C-N 3.35Å; M85-L87 PolarHBondContact O-N 2.61Å; L87-L89 PolarHBondContact O-N 3.15Å; L87-T90 PolarHBondContact O-N 3.27Å; L87-V91 VanDerWaalsContact O-CG2 3.31Å; L87-V91 WeakPolarHBondContact O-CG2 3.31Å; L87-V91 PolarHBondContact O-N 3.37Å; L87-I199 HydrophobicContact CD1-CB 4.47Å; L87-I199 HydrophobicContact CD1-CG2 3.83Å; L87-M202 HydrophobicContact CB-CB 4.46Å; L87-M202 HydrophobicContact CD1-CB 3.87Å; L87-T203 WeakPolarHBondContact CD1-OG1 3.26Å; L87-L206 HydrophobicContact CB-CD1 4.31Å; L87-L206 HydrophobicContact CD2-CD1 3.89Å
88	G	95.5	Very high	92.5	Very high	39 Å²	39	45.9 Å²	45.9	40%	0.402	29%	0.286	S	S	.	.	H	α-helix	trans	-57.6	-47.9	179.6	0	0	0	0	0	112.3	S84 M85 V91 V92	S84-G88 PolarHBondContact O-N 2.98Å; S84-G88 VanDerWaalsContact O-N 3.08Å; M85-G88 PolarHBondContact O-N 2.98Å; G88-V91 PolarHBondContact O-N 3.44Å; G88-V92 VanDerWaalsContact O-CG2 3.29Å; G88-V92 WeakPolarHBondContact O-CG2 3.44Å; G88-V92 PolarHBondContact O-N 3.34Å
89	L	95.2	Very high	92	Very high	32 Å²	32	50.5 Å²	50.5	17%	0.168	31%	0.31	C	S	.	.	H	α-helix	trans	-66.1	-38.4	177.8	-68.6	167	0	0	0	112.7	L70 F73 I74 M85 L87 V92 A93	L70-L89 HydrophobicContact CD2-CD2 4.35Å; F73-L89 HydrophobicContact CD1-CD1 3.32Å; F73-L89 HydrophobicContact CD1-CD2 4.01Å; F73-L89 HydrophobicContact CD1-CG 4.31Å; F73-L89 HydrophobicContact CE1-CD1 3.6Å; F73-L89 HydrophobicContact CE1-CD2 4.12Å; F73-L89 HydrophobicContact CE1-CG 4.47Å; F73-L89 HydrophobicContact CG-CD1 4.34Å; I74-L89 HydrophobicContact CD1-CB 4.14Å; I74-L89 HydrophobicContact CG1-CB 3.49Å; I74-L89 VanDerWaalsContact CG1-CB 3.49Å; I74-L89 HydrophobicContact CG1-CD1 4.1Å; I74-L89 HydrophobicContact CG1-CG 4.44Å; M85-L89 HydrophobicContact CE-CD1 4.41Å; M85-L89 HydrophobicContact CG-CD1 3.95Å; M85-L89 HydrophobicContact CG-CG 4.48Å; M85-L89 WeakPolarHBondContact O-CB 3.35Å; M85-L89 VanDerWaalsContact O-CG 3.29Å; M85-L89 WeakPolarHBondContact O-CG 3.37Å; M85-L89 PolarHBondContact O-N 3.19Å; L87-L89 PolarHBondContact O-N 3.15Å; L89-V92 PolarHBondContact O-N 3.33Å; L89-A93 WeakPolarHBondContact O-CB 3.5Å; L89-A93 PolarHBondContact O-N 2.97Å
90	T	94.7	Very high	91.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-43.5	176.5	-61.5	0	0	0	0	111.3	A86 L87 A93 G94 L130 L195 I198 I199 M202	A86-T90 VanDerWaalsContact O-CB 3.26Å; A86-T90 WeakPolarHBondContact O-CB 3.33Å; A86-T90 PolarHBondContact O-N 3.07Å; A86-T90 PolarHBondContact O-OG1 2.89Å; L87-T90 PolarHBondContact O-N 3.27Å; T90-A93 PolarHBondContact O-N 3.31Å; T90-G94 PolarHBondContact O-N 2.82Å; T90-L130 HydrophobicContact CG2-CD1 3.72Å; T90-L195 HydrophobicContact CG2-CD1 4.21Å; T90-I198 HydrophobicContact CG2-CG2 4.32Å; T90-I199 HydrophobicContact CG2-CG1 4.13Å; T90-M202 HydrophobicContact CG2-SD 4.44Å
91	V	94.6	Very high	90.4	Very high	59 Å²	59	44.1 Å²	44.1	36%	0.358	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-46.2	176.2	171.4	0	0	0	0	110.4	L87 G88 A93 G94 V95 I199	L87-V91 VanDerWaalsContact O-CG2 3.31Å; L87-V91 WeakPolarHBondContact O-CG2 3.31Å; L87-V91 PolarHBondContact O-N 3.37Å; G88-V91 PolarHBondContact O-N 3.44Å; V91-A93 VanDerWaalsContact C-N 3.35Å; V91-A93 PolarHBondContact O-N 2.98Å; V91-G94 PolarHBondContact O-N 3.19Å; V91-V95 HydrophobicContact CG1-CG2 4.31Å; V91-V95 WeakPolarHBondContact O-CB 3.32Å; V91-V95 VanDerWaalsContact O-CG2 3.29Å; V91-V95 WeakPolarHBondContact O-CG2 3.36Å; V91-V95 PolarHBondContact O-N 2.97Å; V91-I199 HydrophobicContact CG2-CD1 4.15Å; V91-I199 HydrophobicContact CG2-CG1 4.41Å
92	V	93.8	Very high	89.8	Confident	81 Å²	81	42.1 Å²	42.1	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-57.9	-48	176	170.2	0	0	0	0	110.6	G88 L89 G94 V95 T96	G88-V92 VanDerWaalsContact O-CG2 3.29Å; G88-V92 WeakPolarHBondContact O-CG2 3.44Å; G88-V92 PolarHBondContact O-N 3.34Å; L89-V92 PolarHBondContact O-N 3.33Å; V92-G94 PolarHBondContact O-N 2.95Å; V92-V95 PolarHBondContact O-N 3.22Å; V92-T96 HydrophobicContact CG1-CG2 4.43Å; V92-T96 WeakPolarHBondContact O-CG2 3.19Å; V92-T96 PolarHBondContact O-N 3.22Å; V92-T96 PolarHBondContact O-OG1 3.07Å; V92-T96 VanDerWaalsContact O-OG1 3.14Å
93	A	92.8	Very high	89	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.4	-44.2	178.9	0	0	0	0	0	112.4	I74 L89 T90 V91 T96 D97 L126	I74-A93 HydrophobicContact CD1-CB 4.43Å; L89-A93 WeakPolarHBondContact O-CB 3.5Å; L89-A93 PolarHBondContact O-N 2.97Å; T90-A93 PolarHBondContact O-N 3.31Å; V91-A93 VanDerWaalsContact C-N 3.35Å; V91-A93 PolarHBondContact O-N 2.98Å; A93-T96 WeakPolarHBondContact CA-OG1 3.21Å; A93-T96 PolarHBondContact O-N 3.43Å; A93-T96 PolarHBondContact O-OG1 3.5Å; A93-D97 PolarHBondContact O-N 3.4Å; A93-D97 VanDerWaalsContact O-N 3.1Å; A93-L126 HydrophobicContact CB-CD1 4.31Å; A93-L126 HydrophobicContact CB-CD2 3.76Å
94	G	90.6	Very high	88	Confident	12 Å²	12	44.3 Å²	44.3	12%	0.124	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-39.3	177.2	0	0	0	0	0	113.7	T90 V91 V92 D97 A98	T90-G94 PolarHBondContact O-N 2.82Å; V91-G94 PolarHBondContact O-N 3.19Å; V92-G94 PolarHBondContact O-N 2.95Å; G94-D97 PolarHBondContact O-N 2.79Å; G94-A98 PolarHBondContact O-N 2.9Å
95	V	90.7	Very high	86.8	Confident	78 Å²	78	49.8 Å²	49.8	47%	0.473	30%	0.299	S	S	.	.	H	α-helix	trans	-66.6	-42.1	175.1	171.8	0	0	0	0	110.5	V91 V92 D97 A98 L99	V91-V95 HydrophobicContact CG1-CG2 4.31Å; V91-V95 WeakPolarHBondContact O-CB 3.32Å; V91-V95 VanDerWaalsContact O-CG2 3.29Å; V91-V95 WeakPolarHBondContact O-CG2 3.36Å; V91-V95 PolarHBondContact O-N 2.97Å; V92-V95 PolarHBondContact O-N 3.22Å; V95-D97 VanDerWaalsContact C-N 3.31Å; V95-D97 PolarHBondContact O-N 3.07Å; V95-A98 PolarHBondContact O-N 3.41Å; V95-L99 HydrophobicContact CG1-CD1 3.94Å; V95-L99 HydrophobicContact CG1-CG 4.33Å; V95-L99 VanDerWaalsContact O-CG 3.28Å; V95-L99 WeakPolarHBondContact O-CG 3.22Å; V95-L99 PolarHBondContact O-N 3.12Å
96	T	89.4	Confident	85.6	Confident	33 Å²	33	54.4 Å²	54.4	20%	0.202	32%	0.317	C	S	.	.	H	α-helix	trans	-61.8	-37.6	177.5	52.3	0	0	0	0	112.6	I63 V92 A93 L99 D100	I63-T96 HydrophobicContact CG2-CG2 4.5Å; V92-T96 HydrophobicContact CG1-CG2 4.43Å; V92-T96 WeakPolarHBondContact O-CG2 3.19Å; V92-T96 PolarHBondContact O-N 3.22Å; V92-T96 PolarHBondContact O-OG1 3.07Å; V92-T96 VanDerWaalsContact O-OG1 3.14Å; A93-T96 WeakPolarHBondContact CA-OG1 3.21Å; A93-T96 PolarHBondContact O-N 3.43Å; A93-T96 PolarHBondContact O-OG1 3.5Å; T96-L99 PolarHBondContact O-N 3.37Å; T96-D100 PolarHBondContact O-N 3.08Å
97	D	86.5	Confident	84.2	Confident	50 Å²	50	57.1 Å²	57.1	27%	0.267	33%	0.333	S	S	.	.	H	α-helix	trans	-63.3	-47.7	174.9	177.3	49.4	0	0	0	112.4	R67 A93 G94 V95 L99 D100 G101	R67-D97 IonicContact CZ-OD1 3.56Å; R67-D97 VanDerWaalsContact NH1-CB 3.33Å; R67-D97 VanDerWaalsContact NH1-CG 3.28Å; R67-D97 IonicContact NH1-OD1 3.63Å; R67-D97 PolarHBondContact NH1-OD1 3.4Å; R67-D97 IonicContact NH2-OD1 2.58Å; A93-D97 PolarHBondContact O-N 3.4Å; A93-D97 VanDerWaalsContact O-N 3.1Å; G94-D97 PolarHBondContact O-N 2.79Å; V95-D97 VanDerWaalsContact C-N 3.31Å; V95-D97 PolarHBondContact O-N 3.07Å; D97-L99 PolarHBondContact O-N 3.47Å; D97-D100 PolarHBondContact O-N 2.8Å; D97-G101 PolarHBondContact O-N 2.97Å
98	A	84.2	Confident	82.5	Confident	60 Å²	60	60.6 Å²	60.6	50%	0.496	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-34.3	178.5	0	0	0	0	0	112.7	G94 V95 S102	G94-A98 PolarHBondContact O-N 2.9Å; V95-A98 PolarHBondContact O-N 3.41Å; A98-S102 PolarHBondContact O-N 3.41Å; A98-S102 PolarHBondContact O-OG 2.9Å
99	L	85.3	Confident	80.8	Confident	96 Å²	96	66.5 Å²	66.5	50%	0.503	38%	0.382	S	S	.	.	H	α-helix	trans	-69.6	-44.1	175.1	-70.1	174.6	0	0	0	111.4	V95 T96 D97 G101 S102 I103	V95-L99 HydrophobicContact CG1-CD1 3.94Å; V95-L99 HydrophobicContact CG1-CG 4.33Å; V95-L99 VanDerWaalsContact O-CG 3.28Å; V95-L99 WeakPolarHBondContact O-CG 3.22Å; V95-L99 PolarHBondContact O-N 3.12Å; T96-L99 PolarHBondContact O-N 3.37Å; D97-L99 PolarHBondContact O-N 3.47Å; L99-G101 PolarHBondContact O-N 3.45Å; L99-S102 CarbonylContact O-C 3.58Å; L99-S102 WeakPolarHBondContact O-CA 3.43Å; L99-S102 WeakPolarHBondContact O-CB 3.36Å; L99-S102 PolarHBondContact O-N 2.94Å; L99-I103 VanDerWaalsContact O-CG1 3.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.29Å; L99-I103 PolarHBondContact O-N 3.49Å
100	D	80.8	Confident	79.1	Confident	10 Å²	10	69 Å²	69	5%	0.053	39%	0.393	C	S	.	.	H	α-helix	trans	-58.3	-47.9	176.8	-80.8	-15.8	0	0	0	112.1	I63 R67 T96 D97 S102 I103 A104	I63-D100 WeakPolarHBondContact CB-OD1 3.31Å; I63-D100 VanDerWaalsContact CB-OD2 3.23Å; I63-D100 WeakPolarHBondContact CB-OD2 3.38Å; I63-D100 WeakPolarHBondContact CD1-OD1 3.38Å; I63-D100 VanDerWaalsContact CG2-CG 3.42Å; I63-D100 WeakPolarHBondContact CG2-OD1 3.49Å; I63-D100 WeakPolarHBondContact CG2-OD2 3.49Å; R67-D100 IonicContact CZ-OD2 3.62Å; R67-D100 IonicContact NE-OD2 3.87Å; R67-D100 IonicContact NH2-OD2 3.66Å; R67-D100 PolarHBondContact NH2-OD2 2.88Å; T96-D100 PolarHBondContact O-N 3.08Å; D97-D100 PolarHBondContact O-N 2.8Å; D100-S102 PolarHBondContact O-N 3.2Å; D100-S102 VanDerWaalsContact O-N 3.14Å; D100-I103 PolarHBondContact O-N 3.27Å; D100-I103 VanDerWaalsContact O-N 3.15Å; D100-A104 VanDerWaalsContact O-CB 3.31Å; D100-A104 WeakPolarHBondContact O-CB 3.48Å; D100-A104 PolarHBondContact O-N 3.01Å
101	G	73.8	Confident	77.6	Confident	40 Å²	40	71.3 Å²	71.3	41%	0.412	41%	0.412	S	S	.	.	H	α-helix	trans	-61.3	-24.3	176.5	0	0	0	0	0	113.3	D97 L99 R105	D97-G101 PolarHBondContact O-N 2.97Å; L99-G101 PolarHBondContact O-N 3.45Å; G101-R105 PolarHBondContact O-NE 3.39Å; G101-R105 VanDerWaalsContact O-NE 3.14Å
102	S	75.4	Confident	76.3	Confident	45 Å²	45	70.2 Å²	70.2	32%	0.315	41%	0.407	S	S	.	.	H	α-helix	trans	-85.5	-36	175.9	-62.2	0	0	0	0	112.9	A98 L99 D100 R105	A98-S102 PolarHBondContact O-N 3.41Å; A98-S102 PolarHBondContact O-OG 2.9Å; L99-S102 CarbonylContact O-C 3.58Å; L99-S102 WeakPolarHBondContact O-CA 3.43Å; L99-S102 WeakPolarHBondContact O-CB 3.36Å; L99-S102 PolarHBondContact O-N 2.94Å; D100-S102 PolarHBondContact O-N 3.2Å; D100-S102 VanDerWaalsContact O-N 3.14Å; S102-R105 PolarHBondContact OG-NH2 3.4Å; S102-R105 VanDerWaalsContact OG-NH2 3.15Å
103	I	76.3	Confident	75.1	Confident	62 Å²	62	69.9 Å²	69.9	32%	0.318	40%	0.403	S	S	.	.	H	α-helix	trans	-71.5	-40.7	175.9	-65.5	164.8	0	0	0	110.3	L99 D100 R105 K106 V107	L99-I103 VanDerWaalsContact O-CG1 3.32Å; L99-I103 WeakPolarHBondContact O-CG1 3.29Å; L99-I103 PolarHBondContact O-N 3.49Å; D100-I103 PolarHBondContact O-N 3.27Å; D100-I103 VanDerWaalsContact O-N 3.15Å; I103-R105 PolarHBondContact O-N 3.32Å; I103-K106 WeakPolarHBondContact O-CA 3.43Å; I103-K106 PolarHBondContact O-N 3.35Å; I103-V107 HydrophobicContact CG2-CG2 3.87Å; I103-V107 PolarHBondContact O-N 2.9Å
104	A	69.4	Low	73.9	Confident	55 Å²	55	74.4 Å²	74.4	46%	0.455	43%	0.43	S	S	.	.	H	α-helix	trans	-57.6	-34.1	178.3	0	0	0	0	0	112.7	D100 K106	D100-A104 VanDerWaalsContact O-CB 3.31Å; D100-A104 WeakPolarHBondContact O-CB 3.48Å; D100-A104 PolarHBondContact O-N 3.01Å; A104-K106 VanDerWaalsContact C-N 3.3Å; A104-K106 PolarHBondContact O-N 3.27Å
105	R	69.1	Low	72.9	Confident	187 Å²	187	74 Å²	74	71%	0.706	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-26.2	174.6	-72.8	-177.7	-73.8	176.5	1.3	113.6	G101 S102 I103	G101-R105 PolarHBondContact O-NE 3.39Å; G101-R105 VanDerWaalsContact O-NE 3.14Å; S102-R105 PolarHBondContact OG-NH2 3.4Å; S102-R105 VanDerWaalsContact OG-NH2 3.15Å; I103-R105 PolarHBondContact O-N 3.32Å
106	K	68.8	Low	72	Confident	176 Å²	176	72.7 Å²	72.7	77%	0.765	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-32.7	-178.1	-64.4	-178.9	-178.3	-176.4	0	112.2	I103 A104	I103-K106 WeakPolarHBondContact O-CA 3.43Å; I103-K106 PolarHBondContact O-N 3.35Å; A104-K106 VanDerWaalsContact C-N 3.3Å; A104-K106 PolarHBondContact O-N 3.27Å
107	V	66.3	Low	71.3	Confident	56 Å²	56	76 Å²	76	34%	0.339	43%	0.432	S	S	.	.			trans	-105.6	61.6	-175.1	-166.2	0	0	0	0	110	I103 N109 Q110	I103-V107 HydrophobicContact CG2-CG2 3.87Å; I103-V107 PolarHBondContact O-N 2.9Å; V107-N109 PolarHBondContact O-N 2.95Å; V107-Q110 HydrophobicContact CG1-CB 3.76Å; V107-Q110 HydrophobicContact CG1-CG 3.75Å; V107-Q110 PolarHBondContact O-N 3.34Å
108	S	60	Low	71	Confident	101 Å²	101	75.8 Å²	75.8	71%	0.706	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.3	-177.5	-25.8	0	0	0	0	113.4
109	N	60.1	Low	71	Confident	163 Å²	163	74.7 Å²	74.7	87%	0.872	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	0.6	-169.4	-141.3	24.1	0	0	0	114.9	V107	V107-N109 PolarHBondContact O-N 2.95Å
110	Q	59.2	Low	70.9	Confident	84 Å²	84	73.3 Å²	73.3	39%	0.393	41%	0.413	S	S	.	.			trans	-119.3	9.6	179.4	-62.7	-165.1	-16.6	0	0	114.1	T58 V107 S112	T58-Q110 WeakPolarHBondContact CG2-O 3.45Å; V107-Q110 HydrophobicContact CG1-CB 3.76Å; V107-Q110 HydrophobicContact CG1-CG 3.75Å; V107-Q110 PolarHBondContact O-N 3.34Å; Q110-S112 PolarHBondContact O-N 3.27Å; Q110-S112 VanDerWaalsContact O-N 3.14Å
111	A	61.8	Low	71.1	Confident	49 Å²	49	76.4 Å²	76.4	41%	0.405	43%	0.429	S	S	.	.			trans	-71.1	109.2	176.8	0	0	0	0	0	110.5
112	S	67.6	Low	71.9	Confident	36 Å²	36	74.6 Å²	74.6	25%	0.252	41%	0.41	S	S	.	.			trans	-75.3	138.3	169.2	177.8	0	0	0	0	109.9	Q110 V114 G115 S116	Q110-S112 PolarHBondContact O-N 3.27Å; Q110-S112 VanDerWaalsContact O-N 3.14Å; S112-V114 PolarHBondContact O-N 3.46Å; S112-G115 PolarHBondContact O-N 2.91Å; S112-G115 VanDerWaalsContact O-N 3.13Å; S112-S116 PolarHBondContact O-N 2.99Å; S112-S116 VanDerWaalsContact O-N 3.11Å; S112-S116 PolarHBondContact O-OG 2.67Å
113	N	68.8	Low	72.5	Confident	75 Å²	75	74.1 Å²	74.1	40%	0.401	40%	0.404	S	S	.	.	H	α-helix	trans	-55.5	-38.2	179.1	-66.6	35.2	0	0	0	112.3	T176	N113-T176 HydrophobicContact CB-CG2 4.47Å
114	V	68.5	Low	73.2	Confident	95 Å²	95	74.1 Å²	74.1	58%	0.576	40%	0.402	S	S	*	.	H	α-helix	trans	-70.7	-43.4	179.3	-180	0	0	0	0	110.9	S112 S116 F117 L118	S112-V114 PolarHBondContact O-N 3.46Å; V114-S116 PolarHBondContact O-N 3Å; V114-F117 PolarHBondContact O-N 3.41Å; V114-L118 HydrophobicContact CG1-CD1 3.85Å; V114-L118 HydrophobicContact CG1-CG 4.2Å; V114-L118 WeakPolarHBondContact O-CG 3.06Å; V114-L118 PolarHBondContact O-N 3.15Å
115	G	68.3	Low	74.3	Confident	4 Å²	4	75.3 Å²	75.3	4%	0.041	40%	0.4	C	S	.	.	H	α-helix	trans	-57.4	-48.9	178.5	0	0	0	0	0	111.5	S112 F117 L118 D119	S112-G115 PolarHBondContact O-N 2.91Å; S112-G115 VanDerWaalsContact O-N 3.13Å; G115-F117 PolarHBondContact O-N 2.98Å; G115-L118 PolarHBondContact O-N 3.42Å; G115-D119 PolarHBondContact O-N 3.38Å
116	S	71.4	Confident	75.5	Confident	49 Å²	49	66.7 Å²	66.7	34%	0.343	37%	0.368	S	S	.	.	H	α-helix	trans	-57.9	-21.9	-179.9	-58.2	0	0	0	0	115	S112 V114 P120	S112-S116 PolarHBondContact O-N 2.99Å; S112-S116 VanDerWaalsContact O-N 3.11Å; S112-S116 PolarHBondContact O-OG 2.67Å; V114-S116 PolarHBondContact O-N 3Å; S116-P120 VanDerWaalsContact O-CD 3.29Å; S116-P120 WeakPolarHBondContact O-CD 3.41Å
117	F	76.3	Confident	76.7	Confident	102 Å²	102	58.9 Å²	58.9	45%	0.447	34%	0.335	S	S	.	.	H	α-helix	trans	-91.5	-33.6	173.3	179.2	-101.4	0	0	0	112.8	V114 G115 D119 P120 F175	V114-F117 PolarHBondContact O-N 3.41Å; G115-F117 PolarHBondContact O-N 2.98Å; F117-D119 VanDerWaalsContact C-N 3.34Å; F117-P120 WeakPolarHBondContact O-CD 3.47Å; F117-F175 HydrophobicContact CD1-CD1 4.07Å; F117-F175 HydrophobicContact CD1-CE1 4.42Å; F117-F175 AromaticContact CD2-CD1 3.95Å; F117-F175 HydrophobicContact CD2-CD1 3.95Å; F117-F175 HydrophobicContact CD2-CE1 4.48Å; F117-F175 AromaticContact CE1-CD1 3.92Å; F117-F175 HydrophobicContact CE1-CD1 3.92Å; F117-F175 AromaticContact CE1-CE1 3.81Å; F117-F175 HydrophobicContact CE1-CE1 3.81Å; F117-F175 AromaticContact CE2-CD1 3.8Å; F117-F175 HydrophobicContact CE2-CD1 3.8Å; F117-F175 AromaticContact CE2-CE1 3.88Å; F117-F175 HydrophobicContact CE2-CE1 3.88Å; F117-F175 HydrophobicContact CG-CD1 4.09Å; F117-F175 AromaticContact CZ-CD1 3.79Å; F117-F175 HydrophobicContact CZ-CD1 3.79Å; F117-F175 AromaticContact CZ-CE1 3.51Å; F117-F175 HydrophobicContact CZ-CE1 3.51Å
118	L	80.3	Confident	78	Confident	47 Å²	47	58.4 Å²	58.4	25%	0.246	33%	0.332	C	S	.	.	H	α-helix	trans	-67.9	-32.4	176.6	-71.4	177	0	0	0	112.3	V114 G115 L121 A122	V114-L118 HydrophobicContact CG1-CD1 3.85Å; V114-L118 HydrophobicContact CG1-CG 4.2Å; V114-L118 WeakPolarHBondContact O-CG 3.06Å; V114-L118 PolarHBondContact O-N 3.15Å; G115-L118 PolarHBondContact O-N 3.42Å; L118-L121 HydrophobicContact CD2-CD2 4.32Å; L118-L121 PolarHBondContact O-N 2.88Å; L118-A122 WeakPolarHBondContact O-CB 3.02Å; L118-A122 PolarHBondContact O-N 3.35Å
119	D	83.2	Confident	79.7	Confident	36 Å²	36	55.1 Å²	55.1	19%	0.193	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-55.7	-177.3	-38.3	-29.4	0	0	0	111.6	T64 G115 F117 L121 A122 D123	T64-D119 HydrophobicContact CG2-CB 3.95Å; T64-D119 WeakPolarHBondContact CG2-OD1 3.45Å; G115-D119 PolarHBondContact O-N 3.38Å; F117-D119 VanDerWaalsContact C-N 3.34Å; D119-L121 PolarHBondContact O-N 2.95Å; D119-A122 PolarHBondContact O-N 3.47Å; D119-D123 PolarHBondContact O-N 3.05Å
120	P	82.9	Confident	81.4	Confident	67 Å²	67	47.4 Å²	47.4	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-64.9	-27.5	178.2	-21.2	35.1	0	0	0	113.2	S116 F117 K124	S116-P120 VanDerWaalsContact O-CD 3.29Å; S116-P120 WeakPolarHBondContact O-CD 3.41Å; F117-P120 WeakPolarHBondContact O-CD 3.47Å; P120-K124 VanDerWaalsContact O-CG 3.3Å; P120-K124 WeakPolarHBondContact O-CG 3.29Å; P120-K124 PolarHBondContact O-N 3.32Å
121	L	85.8	Confident	83.1	Confident	76 Å²	76	43.4 Å²	43.4	40%	0.398	25%	0.25	S	C	.	.	H	α-helix	trans	-68.7	-46.4	176.5	179.8	63.7	0	0	0	111.1	L118 D119 D123 K124 L125	L118-L121 HydrophobicContact CD2-CD2 4.32Å; L118-L121 PolarHBondContact O-N 2.88Å; D119-L121 PolarHBondContact O-N 2.95Å; L121-D123 VanDerWaalsContact C-N 3.29Å; L121-D123 PolarHBondContact O-N 2.89Å; L121-K124 PolarHBondContact O-N 3.43Å; L121-L125 HydrophobicContact CD1-CD1 4.48Å; L121-L125 HydrophobicContact CD1-CG 4.48Å; L121-L125 HydrophobicContact CG-CD1 4.19Å; L121-L125 WeakPolarHBondContact O-CG 3.34Å; L121-L125 PolarHBondContact O-N 2.8Å
122	A	90.3	Very high	84.8	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-59	-41.8	177.8	0	0	0	0	0	111.4	I68 L118 D119 K124 L125 L126	I68-A122 HydrophobicContact CD1-CB 4.22Å; I68-A122 HydrophobicContact CG1-CB 3.78Å; L118-A122 WeakPolarHBondContact O-CB 3.02Å; L118-A122 PolarHBondContact O-N 3.35Å; D119-A122 PolarHBondContact O-N 3.47Å; A122-K124 PolarHBondContact O-N 2.86Å; A122-L125 PolarHBondContact O-N 3.31Å; A122-L126 WeakPolarHBondContact O-CB 3.36Å; A122-L126 PolarHBondContact O-N 3.22Å
123	D	88.5	Confident	86.1	Confident	36 Å²	36	44.2 Å²	44.2	19%	0.193	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-44.4	177.6	-70.8	-30.5	0	0	0	113.2	R67 D119 L121 L125 L126 V127	R67-D123 IonicContact CZ-OD1 3.81Å; R67-D123 IonicContact NH1-OD1 2.71Å; R67-D123 PolarHBondContact NH1-OD1 3.47Å; R67-D123 IonicContact NH1-OD2 2.7Å; D119-D123 PolarHBondContact O-N 3.05Å; L121-D123 VanDerWaalsContact C-N 3.29Å; L121-D123 PolarHBondContact O-N 2.89Å; D123-L125 VanDerWaalsContact C-N 3.35Å; D123-L126 PolarHBondContact O-N 3.36Å; D123-V127 WeakPolarHBondContact O-CG2 3.49Å; D123-V127 PolarHBondContact O-N 3.27Å
124	K	91	Very high	87.3	Confident	61 Å²	61	40.7 Å²	40.7	27%	0.265	23%	0.225	S	C	.	.	H	α-helix	trans	-66.2	-40	177.5	-63.9	-58.4	177	-173.7	0	111.6	P120 L121 A122 T128 D152	P120-K124 VanDerWaalsContact O-CG 3.3Å; P120-K124 WeakPolarHBondContact O-CG 3.29Å; P120-K124 PolarHBondContact O-N 3.32Å; L121-K124 PolarHBondContact O-N 3.43Å; A122-K124 PolarHBondContact O-N 2.86Å; K124-T128 WeakPolarHBondContact O-CB 3.3Å; K124-T128 PolarHBondContact O-N 3.06Å; K124-T128 PolarHBondContact O-OG1 2.83Å; K124-D152 HydrophobicContact CD-CB 4.46Å; K124-D152 WeakPolarHBondContact CD-OD1 3.4Å; K124-D152 WeakPolarHBondContact CE-OD1 3.38Å; K124-D152 IonicContact NZ-OD1 2.73Å; K124-D152 PolarHBondContact NZ-OD1 3.1Å
125	L	93	Very high	88.6	Confident	81 Å²	81	37.1 Å²	37.1	42%	0.424	20%	0.204	S	C	.	.	H	α-helix	trans	-63.2	-43.6	176.2	-72	175.4	0	0	0	111.5	L121 A122 D123 S129	L121-L125 HydrophobicContact CD1-CD1 4.48Å; L121-L125 HydrophobicContact CD1-CG 4.48Å; L121-L125 HydrophobicContact CG-CD1 4.19Å; L121-L125 WeakPolarHBondContact O-CG 3.34Å; L121-L125 PolarHBondContact O-N 2.8Å; A122-L125 PolarHBondContact O-N 3.31Å; D123-L125 VanDerWaalsContact C-N 3.35Å; L125-S129 WeakPolarHBondContact O-CB 3.23Å; L125-S129 PolarHBondContact O-N 2.84Å; L125-S129 PolarHBondContact O-OG 2.89Å
126	L	93.1	Very high	89.9	Confident	5 Å²	5	41 Å²	41	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-59.4	-60.1	176.6	-179.5	67.5	0	0	0	110.5	T71 I74 A93 A122 D123 T128 S129 L130	T71-L126 HydrophobicContact CG2-CD1 4.47Å; I74-L126 HydrophobicContact CD1-CD1 3.72Å; A93-L126 HydrophobicContact CB-CD1 4.31Å; A93-L126 HydrophobicContact CB-CD2 3.76Å; A122-L126 WeakPolarHBondContact O-CB 3.36Å; A122-L126 PolarHBondContact O-N 3.22Å; D123-L126 PolarHBondContact O-N 3.36Å; L126-T128 PolarHBondContact O-N 3.36Å; L126-S129 PolarHBondContact O-N 3.01Å; L126-L130 HydrophobicContact CD1-CD1 3.99Å; L126-L130 HydrophobicContact CD1-CG 4.33Å; L126-L130 HydrophobicContact CG-CD1 4Å; L126-L130 WeakPolarHBondContact O-CG 3.34Å; L126-L130 PolarHBondContact O-N 2.95Å
127	V	93.8	Very high	91	Very high	13 Å²	13	41 Å²	41	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-58.9	-45.3	-177.4	173.3	0	0	0	0	111.6	D123 L130 V131 I198	D123-V127 WeakPolarHBondContact O-CG2 3.49Å; D123-V127 PolarHBondContact O-N 3.27Å; V127-L130 PolarHBondContact O-N 2.8Å; V127-V131 HydrophobicContact CG1-CG2 4.32Å; V127-V131 WeakPolarHBondContact O-CB 3.43Å; V127-V131 VanDerWaalsContact O-CG2 3.22Å; V127-V131 WeakPolarHBondContact O-CG2 3.45Å; V127-V131 PolarHBondContact O-N 3.32Å; V127-I198 HydrophobicContact CG1-CD1 4.04Å
128	T	94.5	Very high	91.6	Very high	45 Å²	45	43 Å²	43	28%	0.276	24%	0.237	S	C	.	.	H	α-helix	trans	-63.5	-44.1	-179.6	-56.1	0	0	0	0	111.7	K124 L126 L132 I149	K124-T128 WeakPolarHBondContact O-CB 3.3Å; K124-T128 PolarHBondContact O-N 3.06Å; K124-T128 PolarHBondContact O-OG1 2.83Å; L126-T128 PolarHBondContact O-N 3.36Å; T128-L132 VanDerWaalsContact O-CB 3.26Å; T128-L132 WeakPolarHBondContact O-CB 3.44Å; T128-L132 PolarHBondContact O-N 3.27Å; T128-I149 HydrophobicContact CG2-CG1 4.35Å
129	S	95.5	Very high	92	Very high	33 Å²	33	43.8 Å²	43.8	23%	0.231	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-39.5	-179.8	-57.7	0	0	0	0	111.8	L125 L126 S133	L125-S129 WeakPolarHBondContact O-CB 3.23Å; L125-S129 PolarHBondContact O-N 2.84Å; L125-S129 PolarHBondContact O-OG 2.89Å; L126-S129 PolarHBondContact O-N 3.01Å; S129-S133 VanDerWaalsContact O-CB 3.31Å; S129-S133 WeakPolarHBondContact O-CB 3.43Å; S129-S133 PolarHBondContact O-N 3.13Å; S129-S133 PolarHBondContact O-OG 3.44Å
130	L	95.6	Very high	92.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-49.4	177	-66.1	176.2	0	0	0	111.7	I74 I78 T90 L126 V127 L132 S133 L134 I198 M202	I74-L130 HydrophobicContact CB-CD2 4.03Å; I74-L130 HydrophobicContact CD1-CD2 4.49Å; I74-L130 HydrophobicContact CG2-CD2 3.26Å; I78-L130 HydrophobicContact CD1-CD2 4Å; T90-L130 HydrophobicContact CG2-CD1 3.72Å; L126-L130 HydrophobicContact CD1-CD1 3.99Å; L126-L130 HydrophobicContact CD1-CG 4.33Å; L126-L130 HydrophobicContact CG-CD1 4Å; L126-L130 WeakPolarHBondContact O-CG 3.34Å; L126-L130 PolarHBondContact O-N 2.95Å; V127-L130 PolarHBondContact O-N 2.8Å; L130-L132 VanDerWaalsContact C-N 3.34Å; L130-L132 PolarHBondContact O-N 3.16Å; L130-S133 PolarHBondContact O-N 2.82Å; L130-L134 WeakPolarHBondContact O-CB 3.39Å; L130-L134 VanDerWaalsContact O-CG 3.29Å; L130-L134 WeakPolarHBondContact O-CG 3.45Å; L130-L134 PolarHBondContact O-N 3.32Å; L130-I198 HydrophobicContact CB-CD1 4.29Å; L130-I198 HydrophobicContact CB-CG2 4.03Å; L130-I198 HydrophobicContact CD1-CG2 4.05Å; L130-M202 HydrophobicContact CD2-CE 3.89Å
131	V	95.7	Very high	93	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-48	178	169.5	0	0	0	0	110.2	V127 S133 L134 T135 F140 A145 F148 I198	V127-V131 HydrophobicContact CG1-CG2 4.32Å; V127-V131 WeakPolarHBondContact O-CB 3.43Å; V127-V131 VanDerWaalsContact O-CG2 3.22Å; V127-V131 WeakPolarHBondContact O-CG2 3.45Å; V127-V131 PolarHBondContact O-N 3.32Å; V131-S133 PolarHBondContact O-N 3.14Å; V131-L134 PolarHBondContact O-N 3.4Å; V131-T135 WeakPolarHBondContact O-CB 3.13Å; V131-T135 PolarHBondContact O-N 3.46Å; V131-T135 PolarHBondContact O-OG1 3.16Å; V131-F140 HydrophobicContact CG1-CD1 4.2Å; V131-F140 HydrophobicContact CG1-CE1 4.09Å; V131-A145 HydrophobicContact CG1-CB 3.52Å; V131-F148 HydrophobicContact CG2-CD2 3.91Å; V131-I198 HydrophobicContact CG2-CD1 3.75Å; V131-I198 HydrophobicContact CG2-CG1 4.02Å
132	L	96.2	Very high	93.5	Very high	95 Å²	95	41.7 Å²	41.7	50%	0.497	23%	0.229	S	C	.	.	H	α-helix	trans	-61.8	-45.6	-179.8	-173.4	64.4	0	0	0	111.8	T128 L130 T135 V136	T128-L132 VanDerWaalsContact O-CB 3.26Å; T128-L132 WeakPolarHBondContact O-CB 3.44Å; T128-L132 PolarHBondContact O-N 3.27Å; L130-L132 VanDerWaalsContact C-N 3.34Å; L130-L132 PolarHBondContact O-N 3.16Å; L132-T135 PolarHBondContact O-N 3.31Å; L132-V136 WeakPolarHBondContact O-CG2 3.33Å; L132-V136 PolarHBondContact O-N 3Å
133	S	95.6	Very high	93.7	Very high	7 Å²	7	46.5 Å²	46.5	5%	0.049	26%	0.263	C	S	.	.	H	α-helix	trans	-65.3	-41.6	-179.7	-54.9	0	0	0	0	111.9	V75 S129 L130 V131 T135 V136 M137	V75-S133 WeakPolarHBondContact CG1-OG 3.07Å; S129-S133 VanDerWaalsContact O-CB 3.31Å; S129-S133 WeakPolarHBondContact O-CB 3.43Å; S129-S133 PolarHBondContact O-N 3.13Å; S129-S133 PolarHBondContact O-OG 3.44Å; L130-S133 PolarHBondContact O-N 2.82Å; V131-S133 PolarHBondContact O-N 3.14Å; S133-T135 VanDerWaalsContact C-N 3.34Å; S133-V136 PolarHBondContact O-N 2.91Å; S133-M137 WeakPolarHBondContact O-CG 3.17Å; S133-M137 PolarHBondContact O-N 2.72Å; S133-M137 VanDerWaalsContact O-N 3.14Å
134	L	94.6	Very high	94	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.3	-33.8	176.7	-70.1	174.9	0	0	0	112.4	I78 L130 V131 M137 D138 F139 F140 I198 M202	I78-L134 HydrophobicContact CD1-CD2 4.41Å; I78-L134 HydrophobicContact CD1-CG 4.45Å; I78-L134 HydrophobicContact CG2-CD2 4.27Å; L130-L134 WeakPolarHBondContact O-CB 3.39Å; L130-L134 VanDerWaalsContact O-CG 3.29Å; L130-L134 WeakPolarHBondContact O-CG 3.45Å; L130-L134 PolarHBondContact O-N 3.32Å; V131-L134 PolarHBondContact O-N 3.4Å; L134-M137 CarbonylContact O-C 3.55Å; L134-M137 PolarHBondContact O-N 3.38Å; L134-D138 PolarHBondContact O-N 3.01Å; L134-F139 HydrophobicContact CB-CB 4.43Å; L134-F139 HydrophobicContact CD2-CB 4.11Å; L134-F139 HydrophobicContact CD2-CD2 4.28Å; L134-F139 PolarHBondContact O-N 3.1Å; L134-F140 HydrophobicContact CB-CB 3.8Å; L134-F140 PolarHBondContact O-N 3.4Å; L134-I198 HydrophobicContact CD1-CG2 3.86Å; L134-M202 HydrophobicContact CD1-CE 3.96Å; L134-M202 HydrophobicContact CD1-CG 4.08Å; L134-M202 HydrophobicContact CD2-CE 4.15Å; L134-M202 HydrophobicContact CD2-CG 3.9Å; L134-M202 HydrophobicContact CG-CE 4.22Å
135	T	95.7	Very high	94.3	Very high	20 Å²	20	42.7 Å²	42.7	12%	0.123	25%	0.246	C	C	.	.	H	α-helix	trans	-69.1	-38.8	174.5	-65.9	0	0	0	0	112.1	V131 L132 S133 M137 D138 F140 V142 A145	V131-T135 WeakPolarHBondContact O-CB 3.13Å; V131-T135 PolarHBondContact O-N 3.46Å; V131-T135 PolarHBondContact O-OG1 3.16Å; L132-T135 PolarHBondContact O-N 3.31Å; S133-T135 VanDerWaalsContact C-N 3.34Å; T135-M137 PolarHBondContact O-N 3.31Å; T135-D138 PolarHBondContact O-N 3.22Å; T135-D138 VanDerWaalsContact O-N 3.15Å; T135-F140 PolarHBondContact OG1-O 2.88Å; T135-V142 HydrophobicContact CG2-CB 4.3Å; T135-V142 HydrophobicContact CG2-CG2 3.82Å; T135-A145 HydrophobicContact CG2-CB 4.16Å; T135-A145 WeakPolarHBondContact OG1-CB 3.36Å
136	V	95.5	Very high	94.4	Very high	85 Å²	85	42.3 Å²	42.3	52%	0.515	25%	0.25	S	C	.	.	H	α-helix	trans	-64.5	-32.3	174.9	170.8	0	0	0	0	111.6	F79 L132 S133 D138	F79-V136 HydrophobicContact CE1-CG1 3.85Å; F79-V136 HydrophobicContact CZ-CB 4.37Å; F79-V136 HydrophobicContact CZ-CG1 3.96Å; L132-V136 WeakPolarHBondContact O-CG2 3.33Å; L132-V136 PolarHBondContact O-N 3Å; S133-V136 PolarHBondContact O-N 2.91Å; V136-D138 VanDerWaalsContact C-N 3.29Å
137	M	92.9	Very high	94.6	Very high	51 Å²	51	44.3 Å²	44.3	25%	0.251	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	11.6	176.3	-63.1	-63.4	-69.3	0	0	113.5	I78 F79 S133 L134 T135 F139	I78-M137 HydrophobicContact CG2-CG 3.87Å; F79-M137 HydrophobicContact CD1-SD 4.27Å; S133-M137 WeakPolarHBondContact O-CG 3.17Å; S133-M137 PolarHBondContact O-N 2.72Å; S133-M137 VanDerWaalsContact O-N 3.14Å; L134-M137 CarbonylContact O-C 3.55Å; L134-M137 PolarHBondContact O-N 3.38Å; T135-M137 PolarHBondContact O-N 3.31Å; M137-F139 HydrophobicContact CB-CD2 3.53Å; M137-F139 HydrophobicContact CB-CE2 3.78Å; M137-F139 PolarHBondContact O-N 2.9Å
138	D	90.4	Very high	94.6	Very high	144 Å²	144	43.8 Å²	43.8	77%	0.77	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	13.4	-178.7	-68	-54.1	0	0	0	116	L134 T135 V136 F140	L134-D138 PolarHBondContact O-N 3.01Å; T135-D138 PolarHBondContact O-N 3.22Å; T135-D138 VanDerWaalsContact O-N 3.15Å; V136-D138 VanDerWaalsContact C-N 3.29Å; D138-F140 VanDerWaalsContact C-N 3.31Å
139	F	89.1	Confident	94.6	Very high	63 Å²	63	43.7 Å²	43.7	28%	0.276	25%	0.254	S	S	.	.	S	Bend	trans	-80.1	-13	174.7	-67.1	-57.9	0	0	0	113.3	L83 L134 M137 P205 W219	L83-F139 HydrophobicContact CD1-CE1 4.31Å; L83-F139 HydrophobicContact CD1-CE2 3.95Å; L83-F139 HydrophobicContact CD1-CZ 3.82Å; L83-F139 HydrophobicContact CD2-CD2 4.45Å; L83-F139 HydrophobicContact CD2-CE2 4.19Å; L134-F139 HydrophobicContact CB-CB 4.43Å; L134-F139 HydrophobicContact CD2-CB 4.11Å; L134-F139 HydrophobicContact CD2-CD2 4.28Å; L134-F139 PolarHBondContact O-N 3.1Å; M137-F139 HydrophobicContact CB-CD2 3.53Å; M137-F139 HydrophobicContact CB-CE2 3.78Å; M137-F139 PolarHBondContact O-N 2.9Å; F139-P205 HydrophobicContact CD1-CB 4.37Å; F139-P205 HydrophobicContact CD1-CG 3.42Å; F139-P205 VanDerWaalsContact CD1-CG 3.42Å; F139-P205 HydrophobicContact CE1-CB 3.82Å; F139-P205 HydrophobicContact CE1-CG 3.37Å; F139-P205 HydrophobicContact CG-CG 4.34Å; F139-P205 HydrophobicContact CZ-CB 4.47Å; F139-P205 HydrophobicContact CZ-CG 4.27Å; F139-W219 WeakPolarHBondContact O-CZ2 3.29Å
140	F	91.6	Very high	94.6	Very high	4 Å²	4	50 Å²	50	2%	0.018	28%	0.277	C	S	.	.	S	Bend	trans	-135.1	130.5	-175.9	-159.6	-95.6	0	0	0	111.6	V131 L134 T135 D138 V142 L144 A145 F148 S201 W219	V131-F140 HydrophobicContact CG1-CD1 4.2Å; V131-F140 HydrophobicContact CG1-CE1 4.09Å; L134-F140 HydrophobicContact CB-CB 3.8Å; L134-F140 PolarHBondContact O-N 3.4Å; T135-F140 PolarHBondContact OG1-O 2.88Å; D138-F140 VanDerWaalsContact C-N 3.31Å; F140-V142 PolarHBondContact O-N 3.24Å; F140-L144 HydrophobicContact CD1-CB 4.45Å; F140-L144 HydrophobicContact CE1-CB 3.73Å; F140-L144 HydrophobicContact CE1-CD2 3.76Å; F140-L144 HydrophobicContact CE1-CG 3.64Å; F140-L144 HydrophobicContact CE2-CD2 4.03Å; F140-L144 HydrophobicContact CZ-CB 4.21Å; F140-L144 HydrophobicContact CZ-CD2 3.33Å; F140-L144 HydrophobicContact CZ-CG 3.65Å; F140-A145 HydrophobicContact CD1-CB 4.02Å; F140-A145 HydrophobicContact CE1-CB 4.28Å; F140-F148 HydrophobicContact CE1-CD2 4.5Å; F140-F148 HydrophobicContact CE1-CE2 4.32Å; F140-F148 HydrophobicContact CZ-CD2 4.28Å; F140-F148 AromaticContact CZ-CE2 3.69Å; F140-F148 HydrophobicContact CZ-CE2 3.69Å; F140-F148 HydrophobicContact CZ-CZ 4.18Å; F140-S201 WeakPolarHBondContact CD2-OG 3.29Å; F140-W219 HydrophobicContact CD2-CZ2 4.45Å; F140-W219 AromaticContact CD2-NE1 3.87Å; F140-W219 AromaticContact CE2-NE1 3.64Å
141	P	94.1	Very high	94.5	Very high	45 Å²	45	50.9 Å²	50.9	29%	0.292	28%	0.281	S	S	.	.			trans	-66.2	129.2	-173.4	24.7	-32	0	0	0	111	S143 L144 A145 W219	P141-S143 PolarHBondContact O-N 3.25Å; P141-L144 HydrophobicContact CG-CB 3.79Å; P141-L144 HydrophobicContact CG-CD2 4.25Å; P141-L144 PolarHBondContact O-N 2.58Å; P141-A145 PolarHBondContact O-N 3.23Å; P141-A145 VanDerWaalsContact O-N 3.07Å; P141-W219 HydrophobicContact CG-CD2 3.87Å; P141-W219 HydrophobicContact CG-CE3 3.62Å; P141-W219 HydrophobicContact CG-CH2 4.19Å; P141-W219 HydrophobicContact CG-CZ2 4.39Å; P141-W219 HydrophobicContact CG-CZ3 3.79Å
142	V	95.9	Very high	94.3	Very high	85 Å²	85	51.1 Å²	51.1	52%	0.515	28%	0.282	S	S	.	.	H	α-helix	trans	-53.6	-41.5	-177.6	-175.5	0	0	0	0	111.6	T135 F140 L144 A145 C146	T135-V142 HydrophobicContact CG2-CB 4.3Å; T135-V142 HydrophobicContact CG2-CG2 3.82Å; F140-V142 PolarHBondContact O-N 3.24Å; V142-L144 VanDerWaalsContact C-N 3.3Å; V142-L144 PolarHBondContact O-N 3.19Å; V142-A145 WeakPolarHBondContact O-CB 3.4Å; V142-A145 PolarHBondContact O-N 2.7Å; V142-C146 WeakPolarHBondContact O-CB 3.28Å; V142-C146 PolarHBondContact O-N 2.97Å; V142-C146 PolarHBondContact O-SG 3.3Å; V142-C146 VanDerWaalsContact O-SG 3.33Å
143	S	95.3	Very high	94.2	Very high	103 Å²	103	51.1 Å²	51.1	72%	0.72	28%	0.282	S	S	*	.	H	α-helix	trans	-59.3	-38.8	178.9	-51.9	0	0	0	0	112.9	P141 L147	P141-S143 PolarHBondContact O-N 3.25Å; S143-L147 WeakPolarHBondContact O-CB 3.44Å; S143-L147 PolarHBondContact O-N 2.9Å; S143-L147 VanDerWaalsContact O-N 3.15Å
144	L	95.2	Very high	94.1	Very high	12 Å²	12	52 Å²	52	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-75.3	-38.5	178.5	-170.9	59.8	0	0	0	111.3	F140 P141 V142 L147 F148 W219 A223	F140-L144 HydrophobicContact CD1-CB 4.45Å; F140-L144 HydrophobicContact CE1-CB 3.73Å; F140-L144 HydrophobicContact CE1-CD2 3.76Å; F140-L144 HydrophobicContact CE1-CG 3.64Å; F140-L144 HydrophobicContact CE2-CD2 4.03Å; F140-L144 HydrophobicContact CZ-CB 4.21Å; F140-L144 HydrophobicContact CZ-CD2 3.33Å; F140-L144 HydrophobicContact CZ-CG 3.65Å; P141-L144 HydrophobicContact CG-CB 3.79Å; P141-L144 HydrophobicContact CG-CD2 4.25Å; P141-L144 PolarHBondContact O-N 2.58Å; V142-L144 VanDerWaalsContact C-N 3.3Å; V142-L144 PolarHBondContact O-N 3.19Å; L144-L147 WeakPolarHBondContact O-CB 3.1Å; L144-L147 PolarHBondContact O-N 3.45Å; L144-F148 HydrophobicContact CD1-CD1 4.14Å; L144-F148 HydrophobicContact CD1-CE1 3.46Å; L144-F148 VanDerWaalsContact CD1-CE1 3.46Å; L144-F148 HydrophobicContact CD1-CZ 3.87Å; L144-F148 HydrophobicContact CD2-CZ 4.1Å; L144-F148 HydrophobicContact CG-CD1 4.39Å; L144-F148 HydrophobicContact CG-CE1 3.82Å; L144-F148 HydrophobicContact CG-CE2 4.43Å; L144-F148 HydrophobicContact CG-CZ 3.81Å; L144-F148 PolarHBondContact O-N 3.41Å; L144-W219 HydrophobicContact CD2-CB 3.65Å; L144-W219 HydrophobicContact CD2-CD2 4.48Å; L144-W219 HydrophobicContact CD2-CG 3.69Å; L144-A223 HydrophobicContact CD1-CB 3.65Å
145	A	96.3	Very high	93.8	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.033	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-48.7	174.8	0	0	0	0	0	111.5	V131 T135 F140 P141 V142 L147 F148 I149	V131-A145 HydrophobicContact CG1-CB 3.52Å; T135-A145 HydrophobicContact CG2-CB 4.16Å; T135-A145 WeakPolarHBondContact OG1-CB 3.36Å; F140-A145 HydrophobicContact CD1-CB 4.02Å; F140-A145 HydrophobicContact CE1-CB 4.28Å; P141-A145 PolarHBondContact O-N 3.23Å; P141-A145 VanDerWaalsContact O-N 3.07Å; V142-A145 WeakPolarHBondContact O-CB 3.4Å; V142-A145 PolarHBondContact O-N 2.7Å; A145-L147 VanDerWaalsContact C-N 3.26Å; A145-L147 PolarHBondContact O-N 2.71Å; A145-F148 PolarHBondContact O-N 3.3Å; A145-I149 WeakPolarHBondContact O-CB 3.29Å; A145-I149 VanDerWaalsContact O-CG1 3.29Å; A145-I149 WeakPolarHBondContact O-CG1 3.32Å; A145-I149 PolarHBondContact O-N 3.27Å
146	C	96.5	Very high	93.6	Very high	74 Å²	74	55.7 Å²	55.7	50%	0.5	31%	0.313	S	S	.	.	H	α-helix	trans	-57.2	-41.4	174.6	-71.9	0	0	0	0	111.5	V142 F150	V142-C146 WeakPolarHBondContact O-CB 3.28Å; V142-C146 PolarHBondContact O-N 2.97Å; V142-C146 PolarHBondContact O-SG 3.3Å; V142-C146 VanDerWaalsContact O-SG 3.33Å; C146-F150 WeakPolarHBondContact O-CB 3.48Å; C146-F150 PolarHBondContact O-N 3.5Å
147	L	95.8	Very high	93.4	Very high	47 Å²	47	56.6 Å²	56.6	25%	0.246	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-46.8	177.6	-168.7	159.9	0	0	0	111.6	S143 L144 A145 R151 A223 T226 I227	S143-L147 WeakPolarHBondContact O-CB 3.44Å; S143-L147 PolarHBondContact O-N 2.9Å; S143-L147 VanDerWaalsContact O-N 3.15Å; L144-L147 WeakPolarHBondContact O-CB 3.1Å; L144-L147 PolarHBondContact O-N 3.45Å; A145-L147 VanDerWaalsContact C-N 3.26Å; A145-L147 PolarHBondContact O-N 2.71Å; L147-R151 VanDerWaalsContact O-CB 3.24Å; L147-R151 WeakPolarHBondContact O-CB 3.42Å; L147-R151 PolarHBondContact O-N 3.15Å; L147-A223 HydrophobicContact CD1-CB 4.26Å; L147-T226 VanDerWaalsContact CD2-CB 3.42Å; L147-T226 HydrophobicContact CD2-CG2 3.23Å; L147-I227 HydrophobicContact CD1-CD1 4.13Å; L147-I227 HydrophobicContact CD1-CG1 4.07Å
148	F	94.7	Very high	93.3	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.009	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-49.9	179.6	-72.4	7.4	0	0	0	111.3	V131 F140 L144 A145 R151 D152 Q194 S222 T226	V131-F148 HydrophobicContact CG2-CD2 3.91Å; F140-F148 HydrophobicContact CE1-CD2 4.5Å; F140-F148 HydrophobicContact CE1-CE2 4.32Å; F140-F148 HydrophobicContact CZ-CD2 4.28Å; F140-F148 AromaticContact CZ-CE2 3.69Å; F140-F148 HydrophobicContact CZ-CE2 3.69Å; F140-F148 HydrophobicContact CZ-CZ 4.18Å; L144-F148 HydrophobicContact CD1-CD1 4.14Å; L144-F148 HydrophobicContact CD1-CE1 3.46Å; L144-F148 VanDerWaalsContact CD1-CE1 3.46Å; L144-F148 HydrophobicContact CD1-CZ 3.87Å; L144-F148 HydrophobicContact CD2-CZ 4.1Å; L144-F148 HydrophobicContact CG-CD1 4.39Å; L144-F148 HydrophobicContact CG-CE1 3.82Å; L144-F148 HydrophobicContact CG-CE2 4.43Å; L144-F148 HydrophobicContact CG-CZ 3.81Å; L144-F148 PolarHBondContact O-N 3.41Å; A145-F148 PolarHBondContact O-N 3.3Å; F148-R151 PolarHBondContact O-N 2.71Å; F148-D152 PolarHBondContact O-N 2.9Å; F148-Q194 HydrophobicContact CD1-CG 4.4Å; F148-Q194 HydrophobicContact CD2-CB 4.46Å; F148-Q194 HydrophobicContact CD2-CG 4.04Å; F148-Q194 HydrophobicContact CE1-CG 4.04Å; F148-Q194 HydrophobicContact CE2-CB 4Å; F148-Q194 HydrophobicContact CE2-CG 3.65Å; F148-Q194 HydrophobicContact CG-CG 4.43Å; F148-Q194 HydrophobicContact CZ-CB 4.4Å; F148-Q194 HydrophobicContact CZ-CG 3.68Å; F148-S222 WeakPolarHBondContact CZ-OG 3.17Å; F148-T226 HydrophobicContact CD1-CG2 4.09Å; F148-T226 VanDerWaalsContact CE1-OG1 3.29Å; F148-T226 WeakPolarHBondContact CE1-OG1 3.46Å
149	I	95	Very high	93.1	Very high	42 Å²	42	51.1 Å²	51.1	22%	0.215	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-49.7	-179.6	-66	170.7	0	0	0	110.3	T128 A145 R151 D152 L153	T128-I149 HydrophobicContact CG2-CG1 4.35Å; A145-I149 WeakPolarHBondContact O-CB 3.29Å; A145-I149 VanDerWaalsContact O-CG1 3.29Å; A145-I149 WeakPolarHBondContact O-CG1 3.32Å; A145-I149 PolarHBondContact O-N 3.27Å; I149-R151 VanDerWaalsContact C-N 3.3Å; I149-R151 PolarHBondContact O-N 3.45Å; I149-D152 PolarHBondContact O-N 2.77Å; I149-L153 HydrophobicContact CG2-CD1 3.58Å; I149-L153 HydrophobicContact CG2-CG 4.04Å; I149-L153 VanDerWaalsContact O-CB 3.32Å; I149-L153 WeakPolarHBondContact O-CB 3.48Å; I149-L153 VanDerWaalsContact O-CG 3.29Å; I149-L153 WeakPolarHBondContact O-CG 3.35Å; I149-L153 PolarHBondContact O-N 2.91Å
150	F	95.3	Very high	93	Very high	165 Å²	165	51.2 Å²	51.2	72%	0.724	29%	0.291	S	S	*	.	H	α-helix	trans	-60.4	-40.8	179.7	-179.2	-99.3	0	0	0	111.9	C146 G154	C146-F150 WeakPolarHBondContact O-CB 3.48Å; C146-F150 PolarHBondContact O-N 3.5Å; F150-G154 WeakPolarHBondContact O-CA 3.43Å; F150-G154 PolarHBondContact O-N 2.89Å
151	R	93.1	Very high	93	Very high	19 Å²	19	57.2 Å²	57.2	7%	0.072	32%	0.318	C	S	.	.	H	α-helix	trans	-63.7	-48	175.7	178.6	-77.8	-46.1	-147.6	1.4	111.3	L147 F148 I149 G154 I155 N190 T226	L147-R151 VanDerWaalsContact O-CB 3.24Å; L147-R151 WeakPolarHBondContact O-CB 3.42Å; L147-R151 PolarHBondContact O-N 3.15Å; F148-R151 PolarHBondContact O-N 2.71Å; I149-R151 VanDerWaalsContact C-N 3.3Å; I149-R151 PolarHBondContact O-N 3.45Å; R151-G154 PolarHBondContact O-N 2.88Å; R151-I155 HydrophobicContact CG-CD1 4.45Å; R151-I155 WeakPolarHBondContact O-CG1 3.24Å; R151-I155 PolarHBondContact O-N 3.02Å; R151-I155 VanDerWaalsContact O-N 3.11Å; R151-N190 PolarHBondContact NH1-ND2 3.19Å; R151-N190 VanDerWaalsContact NH1-ND2 3.19Å; R151-T226 HydrophobicContact CB-CG2 3.83Å; R151-T226 HydrophobicContact CG-CG2 3.68Å
152	D	91.7	Very high	92.7	Very high	7 Å²	7	55.5 Å²	55.5	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-65.3	-47.5	-179	-79.5	-43.7	0	0	0	111.9	K124 F148 I149 G154 I155 V156	K124-D152 HydrophobicContact CD-CB 4.46Å; K124-D152 WeakPolarHBondContact CD-OD1 3.4Å; K124-D152 WeakPolarHBondContact CE-OD1 3.38Å; K124-D152 IonicContact NZ-OD1 2.73Å; K124-D152 PolarHBondContact NZ-OD1 3.1Å; F148-D152 PolarHBondContact O-N 2.9Å; I149-D152 PolarHBondContact O-N 2.77Å; D152-G154 VanDerWaalsContact C-N 3.33Å; D152-G154 PolarHBondContact O-N 3.01Å; D152-I155 PolarHBondContact O-N 2.92Å; D152-V156 WeakPolarHBondContact O-CG2 2.94Å; D152-V156 PolarHBondContact O-N 2.77Å; D152-V156 VanDerWaalsContact O-N 3.07Å
153	L	93.5	Very high	92.1	Very high	95 Å²	95	52.5 Å²	52.5	50%	0.497	29%	0.287	S	S	.	.	H	α-helix	trans	-62.3	-41.5	175.5	-67.9	-178.7	0	0	0	111.4	I149 I155 V156 I157	I149-L153 HydrophobicContact CG2-CD1 3.58Å; I149-L153 HydrophobicContact CG2-CG 4.04Å; I149-L153 VanDerWaalsContact O-CB 3.32Å; I149-L153 WeakPolarHBondContact O-CB 3.48Å; I149-L153 VanDerWaalsContact O-CG 3.29Å; I149-L153 WeakPolarHBondContact O-CG 3.35Å; I149-L153 PolarHBondContact O-N 2.91Å; L153-I155 VanDerWaalsContact C-N 3.32Å; L153-I155 PolarHBondContact O-N 3.49Å; L153-V156 PolarHBondContact O-N 3.41Å; L153-I157 HydrophobicContact CB-CD1 4.28Å; L153-I157 VanDerWaalsContact O-CB 3.27Å; L153-I157 WeakPolarHBondContact O-CB 3.33Å; L153-I157 WeakPolarHBondContact O-CD1 3.29Å; L153-I157 WeakPolarHBondContact O-CG1 3.35Å; L153-I157 PolarHBondContact O-N 3.44Å
154	G	93	Very high	91.6	Very high	25 Å²	25	52.2 Å²	52.2	26%	0.258	27%	0.273	S	S	.	.	H	α-helix	trans	-58.8	-41.6	177.8	0	0	0	0	0	112.7	F150 R151 D152 T158	F150-G154 WeakPolarHBondContact O-CA 3.43Å; F150-G154 PolarHBondContact O-N 2.89Å; R151-G154 PolarHBondContact O-N 2.88Å; D152-G154 VanDerWaalsContact C-N 3.33Å; D152-G154 PolarHBondContact O-N 3.01Å; G154-T158 VanDerWaalsContact O-CB 3.27Å; G154-T158 WeakPolarHBondContact O-CB 3.23Å; G154-T158 PolarHBondContact O-N 3.47Å; G154-T158 PolarHBondContact O-OG1 3.35Å
155	I	89.7	Confident	91.2	Very high	31 Å²	31	61.2 Å²	61.2	16%	0.159	31%	0.306	C	S	.	.	H	α-helix	trans	-65.3	-50.7	175	-65.2	166.2	0	0	0	110.3	R151 D152 L153 I157 T158 V159 Y233	R151-I155 HydrophobicContact CG-CD1 4.45Å; R151-I155 WeakPolarHBondContact O-CG1 3.24Å; R151-I155 PolarHBondContact O-N 3.02Å; R151-I155 VanDerWaalsContact O-N 3.11Å; D152-I155 PolarHBondContact O-N 2.92Å; L153-I155 VanDerWaalsContact C-N 3.32Å; L153-I155 PolarHBondContact O-N 3.49Å; I155-I157 PolarHBondContact O-N 3.23Å; I155-T158 PolarHBondContact O-N 2.78Å; I155-V159 HydrophobicContact CG2-CG2 4.45Å; I155-V159 WeakPolarHBondContact O-CG2 3.32Å; I155-V159 PolarHBondContact O-N 3.37Å; I155-Y233 HydrophobicContact CD1-CD2 3.38Å; I155-Y233 HydrophobicContact CD1-CE2 3.41Å; I155-Y233 VanDerWaalsContact CD1-CE2 3.41Å; I155-Y233 HydrophobicContact CD1-CG 3.98Å; I155-Y233 HydrophobicContact CG1-CD2 4Å; I155-Y233 HydrophobicContact CG1-CE2 4.41Å; I155-Y233 HydrophobicContact CG1-CG 4.13Å
156	V	90.1	Very high	90.5	Very high	67 Å²	67	63.3 Å²	63.3	41%	0.406	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-47.4	-178.3	172.9	0	0	0	0	111	D152 L153 T158 V159 L160	D152-V156 WeakPolarHBondContact O-CG2 2.94Å; D152-V156 PolarHBondContact O-N 2.77Å; D152-V156 VanDerWaalsContact O-N 3.07Å; L153-V156 PolarHBondContact O-N 3.41Å; V156-T158 VanDerWaalsContact C-N 3.34Å; V156-T158 PolarHBondContact O-N 3.36Å; V156-V159 PolarHBondContact O-N 3.44Å; V156-L160 HydrophobicContact CG1-CD1 3.82Å; V156-L160 HydrophobicContact CG1-CG 4.34Å; V156-L160 WeakPolarHBondContact O-CB 3.48Å; V156-L160 VanDerWaalsContact O-CG 3.27Å; V156-L160 WeakPolarHBondContact O-CG 3.44Å; V156-L160 PolarHBondContact O-N 3.43Å
157	I	92.3	Very high	89.8	Confident	104 Å²	104	60.8 Å²	60.8	53%	0.533	30%	0.297	S	S	.	.	H	α-helix	trans	-61.4	-42.8	177.7	-68.8	165.8	0	0	0	110.6	L153 I155 L160 F161	L153-I157 HydrophobicContact CB-CD1 4.28Å; L153-I157 VanDerWaalsContact O-CB 3.27Å; L153-I157 WeakPolarHBondContact O-CB 3.33Å; L153-I157 WeakPolarHBondContact O-CD1 3.29Å; L153-I157 WeakPolarHBondContact O-CG1 3.35Å; L153-I157 PolarHBondContact O-N 3.44Å; I155-I157 PolarHBondContact O-N 3.23Å; I157-L160 PolarHBondContact O-N 2.99Å; I157-F161 WeakPolarHBondContact O-CB 3.23Å; I157-F161 PolarHBondContact O-N 3.07Å
158	T	90.8	Very high	88.7	Confident	45 Å²	45	61.6 Å²	61.6	28%	0.276	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-43.4	-179.8	-58.8	0	0	0	0	111.7	G154 I155 V156 F161 I162 L237	G154-T158 VanDerWaalsContact O-CB 3.27Å; G154-T158 WeakPolarHBondContact O-CB 3.23Å; G154-T158 PolarHBondContact O-N 3.47Å; G154-T158 PolarHBondContact O-OG1 3.35Å; I155-T158 PolarHBondContact O-N 2.78Å; V156-T158 VanDerWaalsContact C-N 3.34Å; V156-T158 PolarHBondContact O-N 3.36Å; T158-F161 PolarHBondContact O-N 2.96Å; T158-I162 HydrophobicContact CG2-CD1 4.02Å; T158-I162 VanDerWaalsContact O-CG1 3.29Å; T158-I162 WeakPolarHBondContact O-CG1 3.48Å; T158-I162 PolarHBondContact O-N 3.38Å; T158-L237 HydrophobicContact CG2-CD1 4.3Å; T158-L237 HydrophobicContact CG2-CD2 3.37Å; T158-L237 HydrophobicContact CG2-CG 4.48Å
159	V	86.6	Confident	87.7	Confident	35 Å²	35	65.2 Å²	65.2	21%	0.212	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-51.1	175.9	170.3	0	0	0	0	110	I155 V156 F161 I162 M163 W240	I155-V159 HydrophobicContact CG2-CG2 4.45Å; I155-V159 WeakPolarHBondContact O-CG2 3.32Å; I155-V159 PolarHBondContact O-N 3.37Å; V156-V159 PolarHBondContact O-N 3.44Å; V159-F161 PolarHBondContact O-N 2.68Å; V159-I162 PolarHBondContact O-N 2.9Å; V159-M163 HydrophobicContact CG1-SD 3.54Å; V159-M163 VanDerWaalsContact CG1-SD 3.54Å; V159-M163 WeakPolarHBondContact O-CG 3.38Å; V159-M163 PolarHBondContact O-N 3.11Å; V159-W240 HydrophobicContact CG2-CE3 4.24Å; V159-W240 HydrophobicContact CG2-CH2 4.26Å; V159-W240 HydrophobicContact CG2-CZ3 3.64Å
160	L	87.4	Confident	86.3	Confident	64 Å²	64	67.4 Å²	67.4	34%	0.335	35%	0.351	S	S	.	.	H	α-helix	trans	-59.3	-44.9	177.6	-70.8	176	0	0	0	111.7	V156 I157 I162 M163 F164	V156-L160 HydrophobicContact CG1-CD1 3.82Å; V156-L160 HydrophobicContact CG1-CG 4.34Å; V156-L160 WeakPolarHBondContact O-CB 3.48Å; V156-L160 VanDerWaalsContact O-CG 3.27Å; V156-L160 WeakPolarHBondContact O-CG 3.44Å; V156-L160 PolarHBondContact O-N 3.43Å; I157-L160 PolarHBondContact O-N 2.99Å; L160-I162 PolarHBondContact O-N 3.24Å; L160-M163 CarbonylContact O-C 3.6Å; L160-M163 WeakPolarHBondContact O-CB 3.3Å; L160-M163 PolarHBondContact O-N 3.47Å; L160-M163 VanDerWaalsContact O-N 3.12Å; L160-F164 HydrophobicContact CB-CD2 4.25Å; L160-F164 HydrophobicContact CB-CE2 4.3Å; L160-F164 WeakPolarHBondContact O-CB 3.45Å; L160-F164 WeakPolarHBondContact O-CD2 3.4Å; L160-F164 PolarHBondContact O-N 2.7Å
161	F	90.2	Very high	84.7	Confident	130 Å²	130	62 Å²	62	57%	0.57	33%	0.331	S	S	*	.	H	α-helix	trans	-60.4	-43.8	179.5	178.8	-98.5	0	0	0	112.5	I157 T158 V159 M163 F164 R165	I157-F161 WeakPolarHBondContact O-CB 3.23Å; I157-F161 PolarHBondContact O-N 3.07Å; T158-F161 PolarHBondContact O-N 2.96Å; V159-F161 PolarHBondContact O-N 2.68Å; F161-M163 VanDerWaalsContact C-N 3.3Å; F161-M163 PolarHBondContact O-N 3.42Å; F161-F164 PolarHBondContact O-N 3.4Å; F161-R165 WeakPolarHBondContact O-CB 3.29Å; F161-R165 PolarHBondContact O-N 2.87Å
162	I	87.7	Confident	83	Confident	9 Å²	9	65.8 Å²	65.8	5%	0.046	36%	0.358	C	S	.	.	H	α-helix	trans	-63	-40.4	175.3	-67.2	168.2	0	0	0	110.2	T158 V159 L160 N166 L237 R241 M244	T158-I162 HydrophobicContact CG2-CD1 4.02Å; T158-I162 VanDerWaalsContact O-CG1 3.29Å; T158-I162 WeakPolarHBondContact O-CG1 3.48Å; T158-I162 PolarHBondContact O-N 3.38Å; V159-I162 PolarHBondContact O-N 2.9Å; L160-I162 PolarHBondContact O-N 3.24Å; I162-N166 PolarHBondContact O-N 3.17Å; I162-N166 PolarHBondContact O-ND2 3.32Å; I162-L237 HydrophobicContact CD1-CD2 4.39Å; I162-R241 HydrophobicContact CD1-CG 4.18Å; I162-R241 HydrophobicContact CG1-CG 4.48Å; I162-M244 HydrophobicContact CG2-CB 4.08Å; I162-M244 HydrophobicContact CG2-CG 3.8Å
163	M	83.2	Confident	81.4	Confident	23 Å²	23	72.3 Å²	72.3	11%	0.113	39%	0.386	C	S	.	.	H	α-helix	trans	-67	-47.3	178.2	-66	162.6	76.1	0	0	111.8	V159 L160 F161 R165 N166 F167 I174 M244	V159-M163 HydrophobicContact CG1-SD 3.54Å; V159-M163 VanDerWaalsContact CG1-SD 3.54Å; V159-M163 WeakPolarHBondContact O-CG 3.38Å; V159-M163 PolarHBondContact O-N 3.11Å; L160-M163 CarbonylContact O-C 3.6Å; L160-M163 WeakPolarHBondContact O-CB 3.3Å; L160-M163 PolarHBondContact O-N 3.47Å; L160-M163 VanDerWaalsContact O-N 3.12Å; F161-M163 VanDerWaalsContact C-N 3.3Å; F161-M163 PolarHBondContact O-N 3.42Å; M163-R165 VanDerWaalsContact C-N 3.3Å; M163-R165 PolarHBondContact O-N 2.92Å; M163-N166 PolarHBondContact O-N 3.46Å; M163-F167 HydrophobicContact CB-CD2 4.27Å; M163-F167 WeakPolarHBondContact O-CB 3.11Å; M163-F167 VanDerWaalsContact O-CD2 3.29Å; M163-F167 WeakPolarHBondContact O-CD2 3.3Å; M163-F167 PolarHBondContact O-N 2.91Å; M163-I174 HydrophobicContact CE-CB 4.47Å; M163-I174 HydrophobicContact CE-CG2 3.12Å; M163-M244 HydrophobicContact CG-CE 3.65Å; M163-M244 HydrophobicContact CG-SD 4.38Å; M163-M244 HydrophobicContact SD-CE 4.43Å
164	F	86.2	Confident	79.8	Confident	97 Å²	97	68.4 Å²	68.4	43%	0.425	37%	0.366	S	S	.	.	H	α-helix	trans	-57	-43.8	177	-88	-71.8	0	0	0	111.8	L160 F161 N166 G168 L170	L160-F164 HydrophobicContact CB-CD2 4.25Å; L160-F164 HydrophobicContact CB-CE2 4.3Å; L160-F164 WeakPolarHBondContact O-CB 3.45Å; L160-F164 WeakPolarHBondContact O-CD2 3.4Å; L160-F164 PolarHBondContact O-N 2.7Å; F161-F164 PolarHBondContact O-N 3.4Å; F164-N166 PolarHBondContact O-N 3.47Å; F164-G168 WeakPolarHBondContact O-CA 3.31Å; F164-G168 PolarHBondContact O-N 3.49Å; F164-L170 HydrophobicContact CD1-CD2 4.38Å; F164-L170 HydrophobicContact CD1-CG 4.2Å; F164-L170 HydrophobicContact CD2-CD2 4.39Å; F164-L170 HydrophobicContact CE1-CD1 3.72Å; F164-L170 HydrophobicContact CE1-CD2 3.95Å; F164-L170 HydrophobicContact CE1-CG 3.43Å; F164-L170 VanDerWaalsContact CE1-CG 3.43Å; F164-L170 HydrophobicContact CE2-CD1 4.07Å; F164-L170 HydrophobicContact CE2-CD2 3.91Å; F164-L170 HydrophobicContact CE2-CG 4.14Å; F164-L170 HydrophobicContact CZ-CD1 3.24Å; F164-L170 HydrophobicContact CZ-CD2 3.71Å; F164-L170 HydrophobicContact CZ-CG 3.41Å; F164-L170 VanDerWaalsContact CZ-CG 3.41Å
165	R	86.8	Confident	78.2	Confident	200 Å²	200	71.6 Å²	71.6	76%	0.755	37%	0.373	S	S	*	.	H	α-helix	trans	-67.2	-35	-179.5	-177.8	177.1	154.5	101.7	1.8	113.2	F161 M163	F161-R165 WeakPolarHBondContact O-CB 3.29Å; F161-R165 PolarHBondContact O-N 2.87Å; M163-R165 VanDerWaalsContact C-N 3.3Å; M163-R165 PolarHBondContact O-N 2.92Å
166	N	81.4	Confident	76.7	Confident	49 Å²	49	73.2 Å²	73.2	26%	0.262	38%	0.384	S	S	.	.	H	α-helix	trans	-88.6	-28.6	-177.2	-71	-57.6	0	0	0	113.7	I162 M163 F164	I162-N166 PolarHBondContact O-N 3.17Å; I162-N166 PolarHBondContact O-ND2 3.32Å; M163-N166 PolarHBondContact O-N 3.46Å; F164-N166 PolarHBondContact O-N 3.47Å
167	F	80.8	Confident	75.2	Confident	21 Å²	21	74.7 Å²	74.7	9%	0.092	39%	0.387	C	S	.	.	H	α-helix	trans	-107.7	-15.1	-175.1	-61.7	-58.5	0	0	0	114.6	M163 T169 I174 M244 I247	M163-F167 HydrophobicContact CB-CD2 4.27Å; M163-F167 WeakPolarHBondContact O-CB 3.11Å; M163-F167 VanDerWaalsContact O-CD2 3.29Å; M163-F167 WeakPolarHBondContact O-CD2 3.3Å; M163-F167 PolarHBondContact O-N 2.91Å; F167-T169 PolarHBondContact O-N 2.92Å; F167-T169 PolarHBondContact O-OG1 3.38Å; F167-I174 HydrophobicContact CB-CD1 3.72Å; F167-I174 HydrophobicContact CD2-CD1 3.79Å; F167-I174 HydrophobicContact CD2-CG1 4.09Å; F167-I174 HydrophobicContact CD2-CG2 4.24Å; F167-I174 HydrophobicContact CE2-CG1 4.48Å; F167-I174 HydrophobicContact CE2-CG2 4.18Å; F167-I174 HydrophobicContact CG-CD1 3.84Å; F167-I174 HydrophobicContact CG-CG1 4.22Å; F167-M244 HydrophobicContact CE2-SD 3.92Å; F167-M244 HydrophobicContact CZ-SD 4.3Å; F167-I247 HydrophobicContact CE1-CG2 4.11Å; F167-I247 HydrophobicContact CZ-CG2 3.83Å
168	G	73.9	Confident	73.3	Confident	63 Å²	63	75.7 Å²	75.7	65%	0.649	39%	0.387	S	S	*	.	S	Bend	trans	65.3	-18.2	-179.8	0	0	0	0	0	115.3	F164	F164-G168 WeakPolarHBondContact O-CA 3.31Å; F164-G168 PolarHBondContact O-N 3.49Å
169	T	73	Confident	71.8	Confident	78 Å²	78	75.4 Å²	75.4	48%	0.479	39%	0.385	S	S	.	.	S	Bend	trans	-143.6	140.6	-177.6	53.6	0	0	0	0	110	F167 T171 I174	F167-T169 PolarHBondContact O-N 2.92Å; F167-T169 PolarHBondContact O-OG1 3.38Å; T169-T171 PolarHBondContact O-N 2.91Å; T169-I174 WeakPolarHBondContact O-CD1 3.39Å
170	L	64.9	Low	70.4	Confident	89 Å²	89	81.2 Å²	81.2	47%	0.466	41%	0.41	S	S	.	.			trans	-77	72.4	167.8	-69.5	174.8	0	0	0	109.4	F164	F164-L170 HydrophobicContact CD1-CD2 4.38Å; F164-L170 HydrophobicContact CD1-CG 4.2Å; F164-L170 HydrophobicContact CD2-CD2 4.39Å; F164-L170 HydrophobicContact CE1-CD1 3.72Å; F164-L170 HydrophobicContact CE1-CD2 3.95Å; F164-L170 HydrophobicContact CE1-CG 3.43Å; F164-L170 VanDerWaalsContact CE1-CG 3.43Å; F164-L170 HydrophobicContact CE2-CD1 4.07Å; F164-L170 HydrophobicContact CE2-CD2 3.91Å; F164-L170 HydrophobicContact CE2-CG 4.14Å; F164-L170 HydrophobicContact CZ-CD1 3.24Å; F164-L170 HydrophobicContact CZ-CD2 3.71Å; F164-L170 HydrophobicContact CZ-CG 3.41Å; F164-L170 VanDerWaalsContact CZ-CG 3.41Å
171	T	62.6	Low	68.9	Low	50 Å²	50	83.4 Å²	83.4	31%	0.307	42%	0.42	S	S	.	.			trans	-77.3	143.4	173.6	31.4	0	0	0	0	110.7	T169 K173 I174	T169-T171 PolarHBondContact O-N 2.91Å; T171-K173 PolarHBondContact O-N 3.46Å; T171-K173 VanDerWaalsContact O-N 3.11Å; T171-I174 VanDerWaalsContact O-CB 3.23Å; T171-I174 WeakPolarHBondContact O-CB 3.13Å; T171-I174 VanDerWaalsContact O-CG1 3.29Å; T171-I174 WeakPolarHBondContact O-CG1 3.27Å; T171-I174 PolarHBondContact O-N 3.34Å
172	P	57.4	Low	67.4	Low	100 Å²	100	84.4 Å²	84.4	65%	0.649	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-62.4	-23.6	-178.2	23	-32.9	0	0	0	113.1	I174 F175	P172-I174 PolarHBondContact O-N 2.69Å; P172-F175 PolarHBondContact O-N 3.45Å
173	K	58.9	Low	66.3	Low	143 Å²	143	86.4 Å²	86.4	62%	0.622	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-58.6	-26.4	174	-160.9	175.8	-177.2	-174.6	0	112.2	T171 F175 T176 E177	T171-K173 PolarHBondContact O-N 3.46Å; T171-K173 VanDerWaalsContact O-N 3.11Å; K173-F175 VanDerWaalsContact C-N 3.3Å; K173-F175 PolarHBondContact O-N 3.21Å; K173-T176 PolarHBondContact O-N 3.42Å; K173-T176 PolarHBondContact O-OG1 2.73Å; K173-E177 PolarHBondContact O-N 3.17Å
174	I	59.6	Low	65.8	Low	14 Å²	14	88.3 Å²	88.3	7%	0.072	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-66	-33.9	177	-59.2	169.9	0	0	0	111.4	M163 F167 T169 T171 P172 T176 E177	M163-I174 HydrophobicContact CE-CB 4.47Å; M163-I174 HydrophobicContact CE-CG2 3.12Å; F167-I174 HydrophobicContact CB-CD1 3.72Å; F167-I174 HydrophobicContact CD2-CD1 3.79Å; F167-I174 HydrophobicContact CD2-CG1 4.09Å; F167-I174 HydrophobicContact CD2-CG2 4.24Å; F167-I174 HydrophobicContact CE2-CG1 4.48Å; F167-I174 HydrophobicContact CE2-CG2 4.18Å; F167-I174 HydrophobicContact CG-CD1 3.84Å; F167-I174 HydrophobicContact CG-CG1 4.22Å; T169-I174 WeakPolarHBondContact O-CD1 3.39Å; T171-I174 VanDerWaalsContact O-CB 3.23Å; T171-I174 WeakPolarHBondContact O-CB 3.13Å; T171-I174 VanDerWaalsContact O-CG1 3.29Å; T171-I174 WeakPolarHBondContact O-CG1 3.27Å; T171-I174 PolarHBondContact O-N 3.34Å; P172-I174 PolarHBondContact O-N 2.69Å; I174-T176 PolarHBondContact O-N 3.12Å; I174-E177 PolarHBondContact O-N 2.97Å
175	F	58.7	Low	65.6	Low	91 Å²	91	89.5 Å²	89.5	40%	0.399	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-71.7	-12.8	174.9	-59.9	-76.2	0	0	0	112.9	F117 P172 K173	F117-F175 HydrophobicContact CD1-CD1 4.07Å; F117-F175 HydrophobicContact CD1-CE1 4.42Å; F117-F175 AromaticContact CD2-CD1 3.95Å; F117-F175 HydrophobicContact CD2-CD1 3.95Å; F117-F175 HydrophobicContact CD2-CE1 4.48Å; F117-F175 AromaticContact CE1-CD1 3.92Å; F117-F175 HydrophobicContact CE1-CD1 3.92Å; F117-F175 AromaticContact CE1-CE1 3.81Å; F117-F175 HydrophobicContact CE1-CE1 3.81Å; F117-F175 AromaticContact CE2-CD1 3.8Å; F117-F175 HydrophobicContact CE2-CD1 3.8Å; F117-F175 AromaticContact CE2-CE1 3.88Å; F117-F175 HydrophobicContact CE2-CE1 3.88Å; F117-F175 HydrophobicContact CG-CD1 4.09Å; F117-F175 AromaticContact CZ-CD1 3.79Å; F117-F175 HydrophobicContact CZ-CD1 3.79Å; F117-F175 AromaticContact CZ-CE1 3.51Å; F117-F175 HydrophobicContact CZ-CE1 3.51Å; P172-F175 PolarHBondContact O-N 3.45Å; K173-F175 VanDerWaalsContact C-N 3.3Å; K173-F175 PolarHBondContact O-N 3.21Å
176	T	57.4	Low	65.3	Low	66 Å²	66	84.2 Å²	84.2	41%	0.405	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-90.7	-21	176.5	65.1	0	0	0	0	113.4	N113 K173 I174 K178	N113-T176 HydrophobicContact CB-CG2 4.47Å; K173-T176 PolarHBondContact O-N 3.42Å; K173-T176 PolarHBondContact O-OG1 2.73Å; I174-T176 PolarHBondContact O-N 3.12Å; T176-K178 PolarHBondContact O-N 3.13Å; T176-K178 VanDerWaalsContact O-N 3.09Å
177	E	59.5	Low	65.1	Low	97 Å²	97	82.2 Å²	82.2	45%	0.453	45%	0.451	S	S	.	.	S	Bend	trans	-75.9	98.9	176.4	-160	93.2	-141.9	0	0	108.1	K173 I174 V179 I247	K173-E177 PolarHBondContact O-N 3.17Å; I174-E177 PolarHBondContact O-N 2.97Å; E177-V179 VanDerWaalsContact C-N 3.26Å; E177-V179 PolarHBondContact O-N 3.28Å; E177-I247 HydrophobicContact CG-CD1 4.01Å; E177-I247 HydrophobicContact CG-CG1 4.39Å; E177-I247 HydrophobicContact CG-CG2 3.95Å
178	K	52.5	Low	65.3	Low	125 Å²	125	86.8 Å²	86.8	54%	0.543	47%	0.471	S	S	.	.			trans	-69.9	89	175.4	-67.5	-176.7	-178.6	-179.1	0	108.1	T176 E180	T176-K178 PolarHBondContact O-N 3.13Å; T176-K178 VanDerWaalsContact O-N 3.09Å; K178-E180 PolarHBondContact O-N 3.38Å
179	V	58.9	Low	66	Low	39 Å²	39	88.9 Å²	88.9	24%	0.236	47%	0.467	C	S	.	.			trans	-63.8	108.7	160.3	-179.3	0	0	0	0	105.2	E177 M181 M244 I247	E177-V179 VanDerWaalsContact C-N 3.26Å; E177-V179 PolarHBondContact O-N 3.28Å; V179-M181 HydrophobicContact CG1-CG 4.27Å; V179-M181 PolarHBondContact O-N 3.03Å; V179-M244 HydrophobicContact CG2-CE 3.74Å; V179-M244 HydrophobicContact CG2-SD 4.37Å; V179-I247 HydrophobicContact CG2-CD1 4.08Å
180	E	57	Low	66.8	Low	157 Å²	157	85.1 Å²	85.1	73%	0.734	44%	0.444	S	S	*	.			trans	-66	83.4	174.8	-67.3	-165.8	160.4	0	0	108.3	K178 N182	K178-E180 PolarHBondContact O-N 3.38Å; E180-N182 VanDerWaalsContact C-N 3.25Å; E180-N182 PolarHBondContact O-N 3.3Å
181	M	56.5	Low	67.9	Low	110 Å²	110	83.3 Å²	83.3	54%	0.542	44%	0.436	S	S	.	.			trans	-68.9	92.2	171.3	-65.4	-164	-62.2	0	0	106.5	V179 A183	V179-M181 HydrophobicContact CG1-CG 4.27Å; V179-M181 PolarHBondContact O-N 3.03Å; M181-A183 PolarHBondContact O-N 3.04Å
182	N	58.7	Low	69.2	Low	152 Å²	152	85.8 Å²	85.8	81%	0.813	45%	0.447	S	S	*	.			trans	-59.6	91.5	168.4	-91.2	-35.7	0	0	0	108.1	E180 S184	E180-N182 VanDerWaalsContact C-N 3.25Å; E180-N182 PolarHBondContact O-N 3.3Å; N182-S184 PolarHBondContact O-N 3.05Å
183	A	63.6	Low	70.9	Confident	50 Å²	50	82.9 Å²	82.9	41%	0.413	43%	0.429	S	S	.	.			trans	-63.3	110.1	177.7	0	0	0	0	0	107.7	M181	M181-A183 PolarHBondContact O-N 3.04Å
184	S	73.8	Confident	72.6	Confident	63 Å²	63	76.1 Å²	76.1	44%	0.441	40%	0.4	S	S	.	.			trans	-54.3	143.2	174.7	176.4	0	0	0	0	110.3	N182 I186 S187	N182-S184 PolarHBondContact O-N 3.05Å; S184-I186 PolarHBondContact O-N 2.9Å; S184-I186 PolarHBondContact OG-N 2.96Å; S184-S187 PolarHBondContact O-N 3.18Å; S184-S187 PolarHBondContact O-OG 3.11Å
185	N	81.2	Confident	74.2	Confident	123 Å²	123	77.1 Å²	77.1	66%	0.658	41%	0.405	S	S	*	.	H	α-helix	trans	-55.8	-27	176.9	-67.1	-21.3	0	0	0	112.2	S187 K188 L189	N185-S187 VanDerWaalsContact C-N 3.35Å; N185-S187 PolarHBondContact O-N 3.44Å; N185-K188 PolarHBondContact O-N 3.18Å; N185-L189 PolarHBondContact O-N 2.91Å
186	I	81.6	Confident	75.8	Confident	88 Å²	88	75.5 Å²	75.5	45%	0.451	41%	0.405	S	S	.	.	H	α-helix	trans	-62.3	-39.3	176.2	-59.7	173.4	0	0	0	111.6	S184 L189 N190	S184-I186 PolarHBondContact O-N 2.9Å; S184-I186 PolarHBondContact OG-N 2.96Å; I186-L189 PolarHBondContact O-N 3.26Å; I186-N190 WeakPolarHBondContact O-CB 3.15Å; I186-N190 PolarHBondContact O-N 3.41Å
187	S	75.6	Confident	77.5	Confident	7 Å²	7	72.4 Å²	72.4	5%	0.049	39%	0.386	C	S	.	.	H	α-helix	trans	-74.5	-30.2	-176.7	65.4	0	0	0	0	112.7	S184 N185 T191 Y233	S184-S187 PolarHBondContact O-N 3.18Å; S184-S187 PolarHBondContact O-OG 3.11Å; N185-S187 VanDerWaalsContact C-N 3.35Å; N185-S187 PolarHBondContact O-N 3.44Å; S187-T191 PolarHBondContact O-N 2.99Å; S187-T191 VanDerWaalsContact O-N 3.11Å; S187-T191 PolarHBondContact O-OG1 3.44Å; S187-Y233 WeakPolarHBondContact CB-OH 3.43Å
188	K	85.8	Confident	79.2	Confident	118 Å²	118	67.8 Å²	67.8	51%	0.513	36%	0.364	S	S	.	.	H	α-helix	trans	-65.6	-48.1	172.6	-63.6	179.1	-175.7	169.5	0	110.9	N185 N190 T191 L192	N185-K188 PolarHBondContact O-N 3.18Å; K188-N190 VanDerWaalsContact C-N 3.33Å; K188-N190 PolarHBondContact O-N 3.05Å; K188-T191 PolarHBondContact O-N 3.42Å; K188-L192 WeakPolarHBondContact O-CG 3.27Å; K188-L192 PolarHBondContact O-N 2.97Å; K188-L192 VanDerWaalsContact O-N 3.09Å
189	L	87.7	Confident	81.2	Confident	106 Å²	106	63.7 Å²	63.7	56%	0.555	35%	0.348	S	S	*	.	H	α-helix	trans	-60.1	-43.1	175.9	-73.4	175.5	0	0	0	111.8	N185 I186 T191 L192 C193	N185-L189 PolarHBondContact O-N 2.91Å; I186-L189 PolarHBondContact O-N 3.26Å; L189-T191 VanDerWaalsContact C-N 3.34Å; L189-T191 PolarHBondContact O-N 3.09Å; L189-L192 WeakPolarHBondContact O-CB 3.35Å; L189-L192 PolarHBondContact O-N 2.97Å; L189-C193 PolarHBondContact O-N 2.99Å; L189-C193 PolarHBondContact O-SG 3.41Å
190	N	89.9	Confident	82.8	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-58.7	-46.1	177	-179.6	52.6	0	0	0	112.2	R151 I186 K188 L192 C193 Q194 T225 T226	R151-N190 PolarHBondContact NH1-ND2 3.19Å; R151-N190 VanDerWaalsContact NH1-ND2 3.19Å; I186-N190 WeakPolarHBondContact O-CB 3.15Å; I186-N190 PolarHBondContact O-N 3.41Å; K188-N190 VanDerWaalsContact C-N 3.33Å; K188-N190 PolarHBondContact O-N 3.05Å; N190-L192 VanDerWaalsContact C-N 3.31Å; N190-L192 PolarHBondContact O-N 3.11Å; N190-C193 PolarHBondContact O-N 3.39Å; N190-C193 VanDerWaalsContact O-N 3.15Å; N190-Q194 PolarHBondContact ND2-NE2 3.03Å; N190-Q194 VanDerWaalsContact ND2-NE2 3.1Å; N190-Q194 VanDerWaalsContact O-CG 3.29Å; N190-Q194 WeakPolarHBondContact O-CG 3.3Å; N190-Q194 PolarHBondContact O-N 2.94Å; N190-T225 VanDerWaalsContact OD1-C 3.23Å; N190-T225 PolarHBondContact OD1-O 3.32Å; N190-T225 PolarHBondContact OD1-OG1 3.22Å; N190-T226 WeakPolarHBondContact OD1-CA 3.27Å; N190-T226 PolarHBondContact OD1-N 3.47Å; N190-T226 PolarHBondContact OD1-OG1 3.26Å
191	T	88.4	Confident	84.5	Confident	50 Å²	50	57.7 Å²	57.7	31%	0.307	32%	0.319	S	S	.	.	H	α-helix	trans	-63.1	-39.4	179.9	-52	0	0	0	0	111.4	S187 K188 L189 Q194 L195	S187-T191 PolarHBondContact O-N 2.99Å; S187-T191 VanDerWaalsContact O-N 3.11Å; S187-T191 PolarHBondContact O-OG1 3.44Å; K188-T191 PolarHBondContact O-N 3.42Å; L189-T191 VanDerWaalsContact C-N 3.34Å; L189-T191 PolarHBondContact O-N 3.09Å; T191-Q194 PolarHBondContact O-N 3.48Å; T191-L195 PolarHBondContact O-N 3.43Å
192	L	91.5	Very high	86.2	Confident	102 Å²	102	52.4 Å²	52.4	53%	0.534	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-43.4	172.5	-68.1	172.9	0	0	0	112.3	K188 L189 N190 Q194 L195 S196	K188-L192 WeakPolarHBondContact O-CG 3.27Å; K188-L192 PolarHBondContact O-N 2.97Å; K188-L192 VanDerWaalsContact O-N 3.09Å; L189-L192 WeakPolarHBondContact O-CB 3.35Å; L189-L192 PolarHBondContact O-N 2.97Å; N190-L192 VanDerWaalsContact C-N 3.31Å; N190-L192 PolarHBondContact O-N 3.11Å; L192-Q194 VanDerWaalsContact C-N 3.31Å; L192-Q194 PolarHBondContact O-N 2.79Å; L192-L195 PolarHBondContact O-N 3.32Å; L192-S196 VanDerWaalsContact O-CB 3.3Å; L192-S196 WeakPolarHBondContact O-CB 3.36Å; L192-S196 PolarHBondContact O-N 3.17Å; L192-S196 PolarHBondContact O-OG 2.8Å
193	C	92.5	Very high	87.8	Confident	40 Å²	40	46.8 Å²	46.8	27%	0.27	26%	0.264	S	S	.	.	H	α-helix	trans	-63.6	-36.6	176.1	-69.6	0	0	0	0	112.1	L189 N190 S197 S222	L189-C193 PolarHBondContact O-N 2.99Å; L189-C193 PolarHBondContact O-SG 3.41Å; N190-C193 PolarHBondContact O-N 3.39Å; N190-C193 VanDerWaalsContact O-N 3.15Å; C193-S197 WeakPolarHBondContact O-CB 3.32Å; C193-S197 PolarHBondContact O-N 3.39Å; C193-S197 PolarHBondContact O-OG 2.79Å; C193-S222 PolarHBondContact O-OG 2.96Å
194	Q	93.5	Very high	89	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-68.6	-48.4	177.7	-71.4	179.5	-11.4	0	0	111.7	F148 N190 T191 L192 S196 S197 I198 T226	F148-Q194 HydrophobicContact CD1-CG 4.4Å; F148-Q194 HydrophobicContact CD2-CB 4.46Å; F148-Q194 HydrophobicContact CD2-CG 4.04Å; F148-Q194 HydrophobicContact CE1-CG 4.04Å; F148-Q194 HydrophobicContact CE2-CB 4Å; F148-Q194 HydrophobicContact CE2-CG 3.65Å; F148-Q194 HydrophobicContact CG-CG 4.43Å; F148-Q194 HydrophobicContact CZ-CB 4.4Å; F148-Q194 HydrophobicContact CZ-CG 3.68Å; N190-Q194 PolarHBondContact ND2-NE2 3.03Å; N190-Q194 VanDerWaalsContact ND2-NE2 3.1Å; N190-Q194 VanDerWaalsContact O-CG 3.29Å; N190-Q194 WeakPolarHBondContact O-CG 3.3Å; N190-Q194 PolarHBondContact O-N 2.94Å; T191-Q194 PolarHBondContact O-N 3.48Å; L192-Q194 VanDerWaalsContact C-N 3.31Å; L192-Q194 PolarHBondContact O-N 2.79Å; Q194-S196 VanDerWaalsContact C-N 3.29Å; Q194-S196 PolarHBondContact O-N 3.25Å; Q194-S197 WeakPolarHBondContact O-CB 3.35Å; Q194-S197 PolarHBondContact O-N 3.36Å; Q194-S197 VanDerWaalsContact O-N 3.15Å; Q194-I198 WeakPolarHBondContact O-CG1 3.46Å; Q194-I198 PolarHBondContact O-N 3.12Å; Q194-T226 PolarHBondContact NE2-OG1 3.47Å
195	L	93.7	Very high	89.6	Confident	35 Å²	35	44.8 Å²	44.8	18%	0.183	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-42.6	175.4	-175.3	64.4	0	0	0	111.1	T90 T191 L192 S197 I198 I199	T90-L195 HydrophobicContact CG2-CD1 4.21Å; T191-L195 PolarHBondContact O-N 3.43Å; L192-L195 PolarHBondContact O-N 3.32Å; L195-S197 VanDerWaalsContact C-N 3.34Å; L195-S197 PolarHBondContact O-N 3.13Å; L195-I198 PolarHBondContact O-N 3.07Å; L195-I199 HydrophobicContact CD1-CD1 4.33Å; L195-I199 HydrophobicContact CG-CD1 3.94Å; L195-I199 VanDerWaalsContact O-CG1 3.3Å; L195-I199 WeakPolarHBondContact O-CG1 2.91Å; L195-I199 PolarHBondContact O-N 3.22Å
196	S	92.9	Very high	89.9	Confident	57 Å²	57	42.2 Å²	42.2	40%	0.399	23%	0.229	S	C	.	.	H	α-helix	trans	-60.6	-43.7	175	-57.2	0	0	0	0	111.6	L192 Q194 I198 I199 L200	L192-S196 VanDerWaalsContact O-CB 3.3Å; L192-S196 WeakPolarHBondContact O-CB 3.36Å; L192-S196 PolarHBondContact O-N 3.17Å; L192-S196 PolarHBondContact O-OG 2.8Å; Q194-S196 VanDerWaalsContact C-N 3.29Å; Q194-S196 PolarHBondContact O-N 3.25Å; S196-I198 VanDerWaalsContact C-N 3.32Å; S196-I198 PolarHBondContact O-N 3.49Å; S196-I199 PolarHBondContact O-N 3.03Å; S196-L200 WeakPolarHBondContact O-CB 3.47Å; S196-L200 VanDerWaalsContact O-CD1 3.23Å; S196-L200 WeakPolarHBondContact O-CD1 2.87Å; S196-L200 PolarHBondContact O-N 3.34Å
197	S	93.6	Very high	90.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-41	177.5	-61.9	0	0	0	0	112	C193 Q194 L195 S201 S222	C193-S197 WeakPolarHBondContact O-CB 3.32Å; C193-S197 PolarHBondContact O-N 3.39Å; C193-S197 PolarHBondContact O-OG 2.79Å; Q194-S197 WeakPolarHBondContact O-CB 3.35Å; Q194-S197 PolarHBondContact O-N 3.36Å; Q194-S197 VanDerWaalsContact O-N 3.15Å; L195-S197 VanDerWaalsContact C-N 3.34Å; L195-S197 PolarHBondContact O-N 3.13Å; S197-S201 WeakPolarHBondContact O-CB 3.29Å; S197-S201 PolarHBondContact O-N 3.08Å; S197-S201 PolarHBondContact O-OG 2.91Å; S197-S222 WeakPolarHBondContact OG-CB 3.44Å; S197-S222 PolarHBondContact OG-OG 2.99Å
198	I	94.9	Very high	90.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.1	-50.6	176.5	-67.8	164.6	0	0	0	110.4	T90 V127 L130 V131 L134 Q194 L195 S196 L200 S201 M202	T90-I198 HydrophobicContact CG2-CG2 4.32Å; V127-I198 HydrophobicContact CG1-CD1 4.04Å; L130-I198 HydrophobicContact CB-CD1 4.29Å; L130-I198 HydrophobicContact CB-CG2 4.03Å; L130-I198 HydrophobicContact CD1-CG2 4.05Å; V131-I198 HydrophobicContact CG2-CD1 3.75Å; V131-I198 HydrophobicContact CG2-CG1 4.02Å; L134-I198 HydrophobicContact CD1-CG2 3.86Å; Q194-I198 WeakPolarHBondContact O-CG1 3.46Å; Q194-I198 PolarHBondContact O-N 3.12Å; L195-I198 PolarHBondContact O-N 3.07Å; S196-I198 VanDerWaalsContact C-N 3.32Å; S196-I198 PolarHBondContact O-N 3.49Å; I198-L200 VanDerWaalsContact C-N 3.34Å; I198-L200 PolarHBondContact O-N 2.9Å; I198-S201 PolarHBondContact O-N 3.49Å; I198-S201 VanDerWaalsContact O-N 3.13Å; I198-M202 HydrophobicContact CG2-CE 3.98Å; I198-M202 HydrophobicContact CG2-SD 4.41Å; I198-M202 WeakPolarHBondContact O-CG 3.45Å; I198-M202 PolarHBondContact O-N 2.73Å
199	I	94.6	Very high	89.9	Confident	39 Å²	39	47.2 Å²	47.2	20%	0.2	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-45.4	179.8	-70.3	169.7	0	0	0	110.8	L87 T90 V91 L195 S196 S201 M202 T203	L87-I199 HydrophobicContact CD1-CB 4.47Å; L87-I199 HydrophobicContact CD1-CG2 3.83Å; T90-I199 HydrophobicContact CG2-CG1 4.13Å; V91-I199 HydrophobicContact CG2-CD1 4.15Å; V91-I199 HydrophobicContact CG2-CG1 4.41Å; L195-I199 HydrophobicContact CD1-CD1 4.33Å; L195-I199 HydrophobicContact CG-CD1 3.94Å; L195-I199 VanDerWaalsContact O-CG1 3.3Å; L195-I199 WeakPolarHBondContact O-CG1 2.91Å; L195-I199 PolarHBondContact O-N 3.22Å; S196-I199 PolarHBondContact O-N 3.03Å; I199-S201 VanDerWaalsContact C-N 3.33Å; I199-S201 PolarHBondContact O-N 2.81Å; I199-M202 PolarHBondContact O-N 2.78Å; I199-T203 WeakPolarHBondContact O-CB 3.45Å; I199-T203 PolarHBondContact O-N 2.82Å; I199-T203 PolarHBondContact O-OG1 3.04Å
200	L	92.7	Very high	89.1	Confident	68 Å²	68	47.2 Å²	47.2	36%	0.356	27%	0.27	S	S	.	.	H	α-helix	trans	-66	-36.5	177.8	-92.2	72	0	0	0	112	S196 I198 M202 T203 Y204 L215 V218	S196-L200 WeakPolarHBondContact O-CB 3.47Å; S196-L200 VanDerWaalsContact O-CD1 3.23Å; S196-L200 WeakPolarHBondContact O-CD1 2.87Å; S196-L200 PolarHBondContact O-N 3.34Å; I198-L200 VanDerWaalsContact C-N 3.34Å; I198-L200 PolarHBondContact O-N 2.9Å; L200-M202 VanDerWaalsContact C-N 3.29Å; L200-M202 PolarHBondContact O-N 2.79Å; L200-T203 PolarHBondContact O-N 3.14Å; L200-Y204 WeakPolarHBondContact O-CB 3.28Å; L200-Y204 PolarHBondContact O-N 3.11Å; L200-L215 HydrophobicContact CB-CD1 4.1Å; L200-V218 HydrophobicContact CD2-CB 4.3Å; L200-V218 HydrophobicContact CD2-CG1 4.19Å; L200-V218 HydrophobicContact CD2-CG2 3.75Å
201	S	92.6	Very high	88.5	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.014	29%	0.292	C	S	.	.	H	α-helix	trans	-66.7	-31.9	177	-53.3	0	0	0	0	112.2	F140 S197 I198 I199 P205 W219	F140-S201 WeakPolarHBondContact CD2-OG 3.29Å; S197-S201 WeakPolarHBondContact O-CB 3.29Å; S197-S201 PolarHBondContact O-N 3.08Å; S197-S201 PolarHBondContact O-OG 2.91Å; I198-S201 PolarHBondContact O-N 3.49Å; I198-S201 VanDerWaalsContact O-N 3.13Å; I199-S201 VanDerWaalsContact C-N 3.33Å; I199-S201 PolarHBondContact O-N 2.81Å; S201-P205 WeakPolarHBondContact O-CD 3.29Å; S201-W219 PolarHBondContact OG-NE1 3.4Å
202	M	91.4	Very high	88.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-76.7	-35.5	172	-68.9	177.6	173.7	0	0	112.9	I78 L87 T90 L130 L134 I198 I199 L200 L206	I78-M202 HydrophobicContact CD1-CE 3.62Å; I78-M202 HydrophobicContact CG1-CE 4.15Å; L87-M202 HydrophobicContact CB-CB 4.46Å; L87-M202 HydrophobicContact CD1-CB 3.87Å; T90-M202 HydrophobicContact CG2-SD 4.44Å; L130-M202 HydrophobicContact CD2-CE 3.89Å; L134-M202 HydrophobicContact CD1-CE 3.96Å; L134-M202 HydrophobicContact CD1-CG 4.08Å; L134-M202 HydrophobicContact CD2-CE 4.15Å; L134-M202 HydrophobicContact CD2-CG 3.9Å; L134-M202 HydrophobicContact CG-CE 4.22Å; I198-M202 HydrophobicContact CG2-CE 3.98Å; I198-M202 HydrophobicContact CG2-SD 4.41Å; I198-M202 WeakPolarHBondContact O-CG 3.45Å; I198-M202 PolarHBondContact O-N 2.73Å; I199-M202 PolarHBondContact O-N 2.78Å; L200-M202 VanDerWaalsContact C-N 3.29Å; L200-M202 PolarHBondContact O-N 2.79Å; M202-L206 WeakPolarHBondContact O-CD1 3.5Å; M202-L206 WeakPolarHBondContact O-CG 3.45Å
203	T	92	Very high	87.9	Confident	33 Å²	33	57.3 Å²	57.3	20%	0.202	31%	0.308	C	S	.	.	H	α-helix	trans	-71.4	-37.2	-177.6	-60.7	0	0	0	0	111.4	L87 I199 L200 L206 Y207	L87-T203 WeakPolarHBondContact CD1-OG1 3.26Å; I199-T203 WeakPolarHBondContact O-CB 3.45Å; I199-T203 PolarHBondContact O-N 2.82Å; I199-T203 PolarHBondContact O-OG1 3.04Å; L200-T203 PolarHBondContact O-N 3.14Å; T203-L206 WeakPolarHBondContact O-CB 3.23Å; T203-L206 PolarHBondContact O-N 2.82Å; T203-L206 VanDerWaalsContact O-N 3.09Å; T203-Y207 HydrophobicContact CG2-CD2 3.48Å; T203-Y207 VanDerWaalsContact CG2-CD2 3.48Å; T203-Y207 HydrophobicContact CG2-CE2 3.66Å; T203-Y207 WeakPolarHBondContact O-CD2 3.4Å; T203-Y207 PolarHBondContact O-N 3.14Å
204	Y	88.8	Confident	87.6	Confident	23 Å²	23	63.7 Å²	63.7	9%	0.09	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-48.7	-172.5	-178.5	-84.8	0	0	0	113.7	L200 L206 G208 L209 Y212 L215	L200-Y204 WeakPolarHBondContact O-CB 3.28Å; L200-Y204 PolarHBondContact O-N 3.11Å; Y204-L206 VanDerWaalsContact C-N 3.29Å; Y204-L206 PolarHBondContact O-N 3.15Å; Y204-G208 PolarHBondContact O-N 3.23Å; Y204-L209 HydrophobicContact CD2-CB 4.04Å; Y204-L209 HydrophobicContact CE2-CB 3.84Å; Y204-L209 WeakPolarHBondContact CE2-O 3.45Å; Y204-L209 PolarHBondContact OH-O 3.01Å; Y204-Y212 HydrophobicContact CD1-CD1 4.4Å; Y204-Y212 HydrophobicContact CD1-CE1 4.04Å; Y204-Y212 AromaticContact CE1-CD1 3.5Å; Y204-Y212 HydrophobicContact CE1-CD1 3.5Å; Y204-Y212 VanDerWaalsContact CE1-CD1 3.5Å; Y204-Y212 AromaticContact CE1-CE1 3.07Å; Y204-Y212 HydrophobicContact CE1-CE1 3.07Å; Y204-Y212 HydrophobicContact CE1-CE2 4.25Å; Y204-Y212 HydrophobicContact CE1-CG 4.24Å; Y204-Y212 AromaticContact CE1-CZ 3.48Å; Y204-Y212 VanDerWaalsContact CE1-CZ 3.48Å; Y204-Y212 HydrophobicContact CE2-CD1 4.3Å; Y204-Y212 AromaticContact CZ-CD1 3.41Å; Y204-Y212 VanDerWaalsContact CZ-CD1 3.41Å; Y204-Y212 AromaticContact CZ-CE1 3.45Å; Y204-Y212 VanDerWaalsContact CZ-CE1 3.45Å; Y204-Y212 AromaticContact CZ-CG 3.72Å; Y204-Y212 AromaticContact CZ-CZ 3.74Å; Y204-Y212 VanDerWaalsContact OH-CD1 3.3Å; Y204-Y212 WeakPolarHBondContact OH-CD1 3.43Å; Y204-Y212 WeakPolarHBondContact OH-CD2 3.49Å; Y204-Y212 WeakPolarHBondContact OH-CE1 3.45Å; Y204-Y212 WeakPolarHBondContact OH-CE2 3.07Å; Y204-Y212 VanDerWaalsContact OH-CZ 3.23Å; Y204-Y212 PolarHBondContact OH-N 3.35Å; Y204-L215 HydrophobicContact CD1-CD2 4.33Å; Y204-L215 HydrophobicContact CD2-CD2 4.34Å; Y204-L215 HydrophobicContact CG-CD2 4.03Å
205	P	87.5	Confident	87.4	Confident	49 Å²	49	64.1 Å²	64.1	32%	0.318	33%	0.33	S	S	.	.	H	α-helix	trans	-64.8	-28.4	174.8	-20.7	32.5	0	0	0	114	L83 F139 S201	L83-P205 HydrophobicContact CD1-CB 3.75Å; L83-P205 HydrophobicContact CD1-CG 3.95Å; F139-P205 HydrophobicContact CD1-CB 4.37Å; F139-P205 HydrophobicContact CD1-CG 3.42Å; F139-P205 VanDerWaalsContact CD1-CG 3.42Å; F139-P205 HydrophobicContact CE1-CB 3.82Å; F139-P205 HydrophobicContact CE1-CG 3.37Å; F139-P205 HydrophobicContact CG-CG 4.34Å; F139-P205 HydrophobicContact CZ-CB 4.47Å; F139-P205 HydrophobicContact CZ-CG 4.27Å; S201-P205 WeakPolarHBondContact O-CD 3.29Å
206	L	87.7	Confident	87.3	Confident	69 Å²	69	68.2 Å²	68.2	36%	0.361	35%	0.346	S	S	.	.	H	α-helix	trans	-71.4	-37.6	-177.6	-71.6	172.5	0	0	0	113.1	L83 L87 M202 T203 Y204	L83-L206 HydrophobicContact CB-CD1 4.17Å; L83-L206 HydrophobicContact CB-CD2 3.75Å; L83-L206 HydrophobicContact CB-CG 3.92Å; L87-L206 HydrophobicContact CB-CD1 4.31Å; L87-L206 HydrophobicContact CD2-CD1 3.89Å; M202-L206 WeakPolarHBondContact O-CD1 3.5Å; M202-L206 WeakPolarHBondContact O-CG 3.45Å; T203-L206 WeakPolarHBondContact O-CB 3.23Å; T203-L206 PolarHBondContact O-N 2.82Å; T203-L206 VanDerWaalsContact O-N 3.09Å; Y204-L206 VanDerWaalsContact C-N 3.29Å; Y204-L206 PolarHBondContact O-N 3.15Å
207	Y	86.1	Confident	87.3	Confident	169 Å²	169	69.3 Å²	69.3	66%	0.663	35%	0.35	S	S	*	.	H	α-helix	trans	-99.3	-3.9	-178.2	-68.7	-82.3	0	0	0	113.6	T203 L209	T203-Y207 HydrophobicContact CG2-CD2 3.48Å; T203-Y207 VanDerWaalsContact CG2-CD2 3.48Å; T203-Y207 HydrophobicContact CG2-CE2 3.66Å; T203-Y207 WeakPolarHBondContact O-CD2 3.4Å; T203-Y207 PolarHBondContact O-N 3.14Å; Y207-L209 PolarHBondContact O-N 2.86Å
208	G	79.2	Confident	87.2	Confident	57 Å²	57	71 Å²	71	59%	0.588	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	33.2	177.6	0	0	0	0	0	113.6	Y204	Y204-G208 PolarHBondContact O-N 3.23Å
209	L	77	Confident	87.1	Confident	92 Å²	92	73.2 Å²	73.2	48%	0.482	37%	0.369	S	S	.	.			trans	-60.1	126.8	-177.6	-66	174.7	0	0	0	109.5	Y204 Y207 N211	Y204-L209 HydrophobicContact CD2-CB 4.04Å; Y204-L209 HydrophobicContact CE2-CB 3.84Å; Y204-L209 WeakPolarHBondContact CE2-O 3.45Å; Y204-L209 PolarHBondContact OH-O 3.01Å; Y207-L209 PolarHBondContact O-N 2.86Å; L209-N211 VanDerWaalsContact C-N 3.27Å; L209-N211 PolarHBondContact O-N 3.15Å
210	P	71.5	Confident	87.1	Confident	106 Å²	106	77.5 Å²	77.5	69%	0.688	39%	0.392	S	S	*	.	S	Bend	trans	-70.4	-22.8	-173.3	25.2	-33.9	0	0	0	113.6
211	N	77.1	Confident	87.1	Confident	89 Å²	89	79.5 Å²	79.5	48%	0.476	40%	0.402	S	S	.	.			trans	-100.6	94	-169.2	-63.1	-24.6	0	0	0	111.9	L209 E213 Y214	L209-N211 VanDerWaalsContact C-N 3.27Å; L209-N211 PolarHBondContact O-N 3.15Å; N211-E213 PolarHBondContact O-N 3.03Å; N211-E213 VanDerWaalsContact O-N 3.09Å; N211-Y214 HydrophobicContact CB-CD2 4.17Å; N211-Y214 HydrophobicContact CB-CE2 4.18Å
212	Y	81.3	Confident	87.2	Confident	143 Å²	143	79.4 Å²	79.4	56%	0.561	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-12.3	169.8	-68.6	-86.1	0	0	0	113.7	Y204 Y214 L215 K216	Y204-Y212 HydrophobicContact CD1-CD1 4.4Å; Y204-Y212 HydrophobicContact CD1-CE1 4.04Å; Y204-Y212 AromaticContact CE1-CD1 3.5Å; Y204-Y212 HydrophobicContact CE1-CD1 3.5Å; Y204-Y212 VanDerWaalsContact CE1-CD1 3.5Å; Y204-Y212 AromaticContact CE1-CE1 3.07Å; Y204-Y212 HydrophobicContact CE1-CE1 3.07Å; Y204-Y212 HydrophobicContact CE1-CE2 4.25Å; Y204-Y212 HydrophobicContact CE1-CG 4.24Å; Y204-Y212 AromaticContact CE1-CZ 3.48Å; Y204-Y212 VanDerWaalsContact CE1-CZ 3.48Å; Y204-Y212 HydrophobicContact CE2-CD1 4.3Å; Y204-Y212 AromaticContact CZ-CD1 3.41Å; Y204-Y212 VanDerWaalsContact CZ-CD1 3.41Å; Y204-Y212 AromaticContact CZ-CE1 3.45Å; Y204-Y212 VanDerWaalsContact CZ-CE1 3.45Å; Y204-Y212 AromaticContact CZ-CG 3.72Å; Y204-Y212 AromaticContact CZ-CZ 3.74Å; Y204-Y212 VanDerWaalsContact OH-CD1 3.3Å; Y204-Y212 WeakPolarHBondContact OH-CD1 3.43Å; Y204-Y212 WeakPolarHBondContact OH-CD2 3.49Å; Y204-Y212 WeakPolarHBondContact OH-CE1 3.45Å; Y204-Y212 WeakPolarHBondContact OH-CE2 3.07Å; Y204-Y212 VanDerWaalsContact OH-CZ 3.23Å; Y204-Y212 PolarHBondContact OH-N 3.35Å; Y212-Y214 PolarHBondContact O-N 3.37Å; Y212-L215 PolarHBondContact O-N 3.14Å; Y212-K216 WeakPolarHBondContact O-CG 3.29Å; Y212-K216 PolarHBondContact O-N 3.41Å
213	E	84.6	Confident	87.4	Confident	132 Å²	132	80.2 Å²	80.2	62%	0.617	41%	0.408	S	S	*	.	H	α-helix	trans	-51.5	-52.2	179.2	-69.9	-85.4	124.3	0	0	112.3	N211 L215 K216 V217	N211-E213 PolarHBondContact O-N 3.03Å; N211-E213 VanDerWaalsContact O-N 3.09Å; E213-L215 VanDerWaalsContact C-N 3.31Å; E213-L215 PolarHBondContact O-N 3.47Å; E213-K216 PolarHBondContact O-N 3.36Å; E213-V217 WeakPolarHBondContact O-CG2 3.14Å; E213-V217 PolarHBondContact O-N 2.63Å
214	Y	87.1	Confident	87.5	Confident	174 Å²	174	80.7 Å²	80.7	68%	0.682	42%	0.42	S	S	*	.	H	α-helix	trans	-63.4	-39.1	-178	-62.3	-74.1	0	0	0	112.2	N211 Y212 V217 V218	N211-Y214 HydrophobicContact CB-CD2 4.17Å; N211-Y214 HydrophobicContact CB-CE2 4.18Å; Y212-Y214 PolarHBondContact O-N 3.37Å; Y214-V217 PolarHBondContact O-N 3.09Å; Y214-V218 WeakPolarHBondContact O-CG2 3.38Å; Y214-V218 PolarHBondContact O-N 2.72Å
215	L	89.7	Confident	87.7	Confident	10 Å²	10	81.7 Å²	81.7	5%	0.052	43%	0.428	C	S	.	.	H	α-helix	trans	-64.8	-43.1	179.4	-172.1	63.5	0	0	0	110.8	L200 Y204 Y212 E213 V217 V218 W219	L200-L215 HydrophobicContact CB-CD1 4.1Å; Y204-L215 HydrophobicContact CD1-CD2 4.33Å; Y204-L215 HydrophobicContact CD2-CD2 4.34Å; Y204-L215 HydrophobicContact CG-CD2 4.03Å; Y212-L215 PolarHBondContact O-N 3.14Å; E213-L215 VanDerWaalsContact C-N 3.31Å; E213-L215 PolarHBondContact O-N 3.47Å; L215-V217 PolarHBondContact O-N 3.05Å; L215-V218 PolarHBondContact O-N 2.72Å; L215-W219 HydrophobicContact CD1-CZ2 3.94Å; L215-W219 HydrophobicContact CD2-CH2 3.53Å; L215-W219 HydrophobicContact CD2-CZ2 3.41Å; L215-W219 VanDerWaalsContact CD2-CZ2 3.41Å; L215-W219 HydrophobicContact CD2-CZ3 4.29Å; L215-W219 HydrophobicContact CG-CD2 4.07Å; L215-W219 HydrophobicContact CG-CE3 4.39Å; L215-W219 HydrophobicContact CG-CH2 3.86Å; L215-W219 HydrophobicContact CG-CZ2 3.49Å; L215-W219 VanDerWaalsContact CG-CZ2 3.49Å; L215-W219 HydrophobicContact CG-CZ3 4.3Å; L215-W219 WeakPolarHBondContact O-CB 3.4Å; L215-W219 VanDerWaalsContact O-CG 3.26Å; L215-W219 PolarHBondContact O-N 3.02Å
216	K	91.4	Very high	88	Confident	120 Å²	120	79.4 Å²	79.4	52%	0.522	41%	0.413	S	S	.	.	H	α-helix	trans	-61.9	-40.8	174.9	-68.9	176.5	-170.7	174.4	0	112.5	Y212 E213 W219 L220	Y212-K216 WeakPolarHBondContact O-CG 3.29Å; Y212-K216 PolarHBondContact O-N 3.41Å; E213-K216 PolarHBondContact O-N 3.36Å; K216-W219 PolarHBondContact O-N 3.45Å; K216-L220 WeakPolarHBondContact O-CB 3.29Å; K216-L220 PolarHBondContact O-N 3.44Å
217	V	91.7	Very high	88.3	Confident	80 Å²	80	80.6 Å²	80.6	49%	0.485	42%	0.419	S	S	.	.	H	α-helix	trans	-62.4	-45.1	177	172.5	0	0	0	0	110.6	E213 Y214 L215 L220 L221	E213-V217 WeakPolarHBondContact O-CG2 3.14Å; E213-V217 PolarHBondContact O-N 2.63Å; Y214-V217 PolarHBondContact O-N 3.09Å; L215-V217 PolarHBondContact O-N 3.05Å; V217-L220 PolarHBondContact O-N 3.28Å; V217-L221 HydrophobicContact CG1-CD1 4Å; V217-L221 HydrophobicContact CG1-CG 4.37Å; V217-L221 WeakPolarHBondContact O-CB 3.19Å; V217-L221 VanDerWaalsContact O-CG 3.28Å; V217-L221 WeakPolarHBondContact O-CG 3.47Å; V217-L221 PolarHBondContact O-N 2.85Å
218	V	91.7	Very high	88.6	Confident	36 Å²	36	74 Å²	74	22%	0.218	40%	0.402	C	S	.	.	H	α-helix	trans	-64.7	-43.3	179.1	172.4	0	0	0	0	111.2	L200 Y214 L215 L220 L221 S222	L200-V218 HydrophobicContact CD2-CB 4.3Å; L200-V218 HydrophobicContact CD2-CG1 4.19Å; L200-V218 HydrophobicContact CD2-CG2 3.75Å; Y214-V218 WeakPolarHBondContact O-CG2 3.38Å; Y214-V218 PolarHBondContact O-N 2.72Å; L215-V218 PolarHBondContact O-N 2.72Å; V218-L220 PolarHBondContact O-N 2.88Å; V218-L221 PolarHBondContact O-N 2.95Å; V218-S222 WeakPolarHBondContact O-CB 3.24Å; V218-S222 PolarHBondContact O-N 3.03Å
219	W	94.2	Very high	89.1	Confident	46 Å²	46	71.4 Å²	71.4	17%	0.174	38%	0.375	C	S	.	.	H	α-helix	trans	-59.2	-43.5	173.2	-73.2	-10.8	0	0	0	112.7	F139 F140 P141 L144 S201 L215 K216 S222 A223	F139-W219 WeakPolarHBondContact O-CZ2 3.29Å; F140-W219 HydrophobicContact CD2-CZ2 4.45Å; F140-W219 AromaticContact CD2-NE1 3.87Å; F140-W219 AromaticContact CE2-NE1 3.64Å; P141-W219 HydrophobicContact CG-CD2 3.87Å; P141-W219 HydrophobicContact CG-CE3 3.62Å; P141-W219 HydrophobicContact CG-CH2 4.19Å; P141-W219 HydrophobicContact CG-CZ2 4.39Å; P141-W219 HydrophobicContact CG-CZ3 3.79Å; L144-W219 HydrophobicContact CD2-CB 3.65Å; L144-W219 HydrophobicContact CD2-CD2 4.48Å; L144-W219 HydrophobicContact CD2-CG 3.69Å; S201-W219 PolarHBondContact OG-NE1 3.4Å; L215-W219 HydrophobicContact CD1-CZ2 3.94Å; L215-W219 HydrophobicContact CD2-CH2 3.53Å; L215-W219 HydrophobicContact CD2-CZ2 3.41Å; L215-W219 VanDerWaalsContact CD2-CZ2 3.41Å; L215-W219 HydrophobicContact CD2-CZ3 4.29Å; L215-W219 HydrophobicContact CG-CD2 4.07Å; L215-W219 HydrophobicContact CG-CE3 4.39Å; L215-W219 HydrophobicContact CG-CH2 3.86Å; L215-W219 HydrophobicContact CG-CZ2 3.49Å; L215-W219 VanDerWaalsContact CG-CZ2 3.49Å; L215-W219 HydrophobicContact CG-CZ3 4.3Å; L215-W219 WeakPolarHBondContact O-CB 3.4Å; L215-W219 VanDerWaalsContact O-CG 3.26Å; L215-W219 PolarHBondContact O-N 3.02Å; K216-W219 PolarHBondContact O-N 3.45Å; W219-S222 PolarHBondContact O-N 3.04Å; W219-A223 WeakPolarHBondContact O-CB 3.42Å; W219-A223 PolarHBondContact O-N 3.47Å
220	L	94.3	Very high	89.8	Confident	130 Å²	130	68 Å²	68	68%	0.681	36%	0.362	S	S	*	.	H	α-helix	trans	-65.2	-43.3	177.3	-177.1	64.9	0	0	0	111.9	K216 V217 V218 S222 A223 G224	K216-L220 WeakPolarHBondContact O-CB 3.29Å; K216-L220 PolarHBondContact O-N 3.44Å; V217-L220 PolarHBondContact O-N 3.28Å; V218-L220 PolarHBondContact O-N 2.88Å; L220-S222 VanDerWaalsContact C-N 3.34Å; L220-A223 WeakPolarHBondContact O-CB 3.44Å; L220-A223 PolarHBondContact O-N 3.47Å; L220-G224 PolarHBondContact O-N 3.5Å
221	L	93.2	Very high	90.7	Very high	109 Å²	109	67.5 Å²	67.5	57%	0.571	35%	0.354	S	S	*	.	H	α-helix	trans	-62.8	-41.7	175.3	-71.4	174.2	0	0	0	111.4	V217 V218 G224 T225	V217-L221 HydrophobicContact CG1-CD1 4Å; V217-L221 HydrophobicContact CG1-CG 4.37Å; V217-L221 WeakPolarHBondContact O-CB 3.19Å; V217-L221 VanDerWaalsContact O-CG 3.28Å; V217-L221 WeakPolarHBondContact O-CG 3.47Å; V217-L221 PolarHBondContact O-N 2.85Å; V218-L221 PolarHBondContact O-N 2.95Å; L221-G224 PolarHBondContact O-N 3.18Å; L221-T225 WeakPolarHBondContact O-CG2 3.31Å; L221-T225 PolarHBondContact O-N 3.34Å; L221-T225 PolarHBondContact O-OG1 3.45Å
222	S	93.8	Very high	91.3	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.007	35%	0.345	C	S	.	.	H	α-helix	trans	-68.9	-36.4	177.2	-166.1	0	0	0	0	112.2	F148 C193 S197 V218 W219 L220 T225 T226	F148-S222 WeakPolarHBondContact CZ-OG 3.17Å; C193-S222 PolarHBondContact O-OG 2.96Å; S197-S222 WeakPolarHBondContact OG-CB 3.44Å; S197-S222 PolarHBondContact OG-OG 2.99Å; V218-S222 WeakPolarHBondContact O-CB 3.24Å; V218-S222 PolarHBondContact O-N 3.03Å; W219-S222 PolarHBondContact O-N 3.04Å; L220-S222 VanDerWaalsContact C-N 3.34Å; S222-T225 VanDerWaalsContact CA-OG1 3.31Å; S222-T225 WeakPolarHBondContact CA-OG1 3.43Å; S222-T225 PolarHBondContact O-OG1 3.34Å; S222-T226 VanDerWaalsContact O-CB 3.3Å; S222-T226 WeakPolarHBondContact O-CB 3.47Å; S222-T226 PolarHBondContact O-N 3.36Å; S222-T226 PolarHBondContact O-OG1 3.08Å
223	A	95.6	Very high	91.6	Very high	16 Å²	16	60.4 Å²	60.4	13%	0.132	33%	0.328	C	S	.	.	H	α-helix	trans	-60.8	-49	171	0	0	0	0	0	111.3	L144 L147 W219 L220 T225 T226 I227	L144-A223 HydrophobicContact CD1-CB 3.65Å; L147-A223 HydrophobicContact CD1-CB 4.26Å; W219-A223 WeakPolarHBondContact O-CB 3.42Å; W219-A223 PolarHBondContact O-N 3.47Å; L220-A223 WeakPolarHBondContact O-CB 3.44Å; L220-A223 PolarHBondContact O-N 3.47Å; A223-T225 PolarHBondContact O-N 2.91Å; A223-T226 PolarHBondContact O-N 3.39Å; A223-T226 VanDerWaalsContact O-N 3.17Å; A223-I227 WeakPolarHBondContact O-CG1 3.32Å; A223-I227 PolarHBondContact O-N 3.31Å
224	G	94.7	Very high	91.9	Very high	43 Å²	43	59.1 Å²	59.1	44%	0.443	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-45	179.3	0	0	0	0	0	112.8	L220 L221 T226 I227 G228	L220-G224 PolarHBondContact O-N 3.5Å; L221-G224 PolarHBondContact O-N 3.18Å; G224-T226 VanDerWaalsContact C-N 3.32Å; G224-T226 PolarHBondContact O-N 3.22Å; G224-I227 PolarHBondContact O-N 3.3Å; G224-G228 PolarHBondContact O-N 3.08Å
225	T	92.7	Very high	92	Very high	44 Å²	44	59.3 Å²	59.3	27%	0.27	33%	0.329	S	S	.	.	H	α-helix	trans	-66.4	-32.5	175	50.6	0	0	0	0	112.4	N190 L221 S222 A223 S229	N190-T225 VanDerWaalsContact OD1-C 3.23Å; N190-T225 PolarHBondContact OD1-O 3.32Å; N190-T225 PolarHBondContact OD1-OG1 3.22Å; L221-T225 WeakPolarHBondContact O-CG2 3.31Å; L221-T225 PolarHBondContact O-N 3.34Å; L221-T225 PolarHBondContact O-OG1 3.45Å; S222-T225 VanDerWaalsContact CA-OG1 3.31Å; S222-T225 WeakPolarHBondContact CA-OG1 3.43Å; S222-T225 PolarHBondContact O-OG1 3.34Å; A223-T225 PolarHBondContact O-N 2.91Å; T225-S229 VanDerWaalsContact O-CB 3.24Å; T225-S229 WeakPolarHBondContact O-CB 3.22Å; T225-S229 PolarHBondContact O-N 3.04Å
226	T	93.2	Very high	91.9	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.006	34%	0.338	C	S	.	.	H	α-helix	trans	-70.8	-43.1	177.1	-57.1	0	0	0	0	111.4	L147 F148 R151 N190 Q194 S222 A223 G224 S229 G230	L147-T226 VanDerWaalsContact CD2-CB 3.42Å; L147-T226 HydrophobicContact CD2-CG2 3.23Å; F148-T226 HydrophobicContact CD1-CG2 4.09Å; F148-T226 VanDerWaalsContact CE1-OG1 3.29Å; F148-T226 WeakPolarHBondContact CE1-OG1 3.46Å; R151-T226 HydrophobicContact CB-CG2 3.83Å; R151-T226 HydrophobicContact CG-CG2 3.68Å; N190-T226 WeakPolarHBondContact OD1-CA 3.27Å; N190-T226 PolarHBondContact OD1-N 3.47Å; N190-T226 PolarHBondContact OD1-OG1 3.26Å; Q194-T226 PolarHBondContact NE2-OG1 3.47Å; S222-T226 VanDerWaalsContact O-CB 3.3Å; S222-T226 WeakPolarHBondContact O-CB 3.47Å; S222-T226 PolarHBondContact O-N 3.36Å; S222-T226 PolarHBondContact O-OG1 3.08Å; A223-T226 PolarHBondContact O-N 3.39Å; A223-T226 VanDerWaalsContact O-N 3.17Å; G224-T226 VanDerWaalsContact C-N 3.32Å; G224-T226 PolarHBondContact O-N 3.22Å; T226-S229 PolarHBondContact O-N 3.17Å; T226-G230 PolarHBondContact O-N 3.17Å
227	I	93.9	Very high	91.7	Very high	94 Å²	94	56 Å²	56	48%	0.482	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-48.2	173.6	-65.8	166.5	0	0	0	109.8	L147 A223 G224 S229 G230 L231	L147-I227 HydrophobicContact CD1-CD1 4.13Å; L147-I227 HydrophobicContact CD1-CG1 4.07Å; A223-I227 WeakPolarHBondContact O-CG1 3.32Å; A223-I227 PolarHBondContact O-N 3.31Å; G224-I227 PolarHBondContact O-N 3.3Å; I227-S229 VanDerWaalsContact C-N 3.32Å; I227-S229 PolarHBondContact O-N 2.97Å; I227-G230 PolarHBondContact O-N 3.03Å; I227-G230 VanDerWaalsContact O-N 3.13Å; I227-L231 HydrophobicContact CG2-CD1 4.24Å; I227-L231 WeakPolarHBondContact O-CG 3.4Å; I227-L231 PolarHBondContact O-N 2.9Å
228	G	92.4	Very high	91.6	Very high	30 Å²	30	55.8 Å²	55.8	31%	0.309	32%	0.32	S	S	.	.	H	α-helix	trans	-59.1	-41.8	177.4	0	0	0	0	0	112.8	G224 L231 G232	G224-G228 PolarHBondContact O-N 3.08Å; G228-L231 PolarHBondContact O-N 3.36Å; G228-G232 PolarHBondContact O-N 3.19Å
229	S	90.7	Very high	91.4	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-64.1	-43.4	173.7	-176.3	0	0	0	0	111.6	T225 T226 I227 G232 Y233	T225-S229 VanDerWaalsContact O-CB 3.24Å; T225-S229 WeakPolarHBondContact O-CB 3.22Å; T225-S229 PolarHBondContact O-N 3.04Å; T226-S229 PolarHBondContact O-N 3.17Å; I227-S229 VanDerWaalsContact C-N 3.32Å; I227-S229 PolarHBondContact O-N 2.97Å; S229-G232 PolarHBondContact O-N 2.99Å; S229-G232 VanDerWaalsContact O-N 3.17Å; S229-Y233 WeakPolarHBondContact O-CD2 3.41Å; S229-Y233 PolarHBondContact O-N 3.39Å
230	G	91	Very high	90.9	Very high	20 Å²	20	57.7 Å²	57.7	21%	0.206	33%	0.327	C	S	.	.	H	α-helix	trans	-59.6	-46	176.9	0	0	0	0	0	112.3	T226 I227 G232 Y233 L234	T226-G230 PolarHBondContact O-N 3.17Å; I227-G230 PolarHBondContact O-N 3.03Å; I227-G230 VanDerWaalsContact O-N 3.13Å; G230-G232 VanDerWaalsContact C-N 3.29Å; G230-G232 PolarHBondContact O-N 2.9Å; G230-Y233 PolarHBondContact O-N 3.21Å; G230-L234 PolarHBondContact O-N 2.86Å; G230-L234 VanDerWaalsContact O-N 3.08Å
231	L	91.3	Very high	90.5	Very high	97 Å²	97	58.7 Å²	58.7	51%	0.508	32%	0.322	S	S	.	.	H	α-helix	trans	-62.1	-36.5	174.1	-67.8	175.3	0	0	0	112.2	I227 G228 Y233 L234 K235	I227-L231 HydrophobicContact CG2-CD1 4.24Å; I227-L231 WeakPolarHBondContact O-CG 3.4Å; I227-L231 PolarHBondContact O-N 2.9Å; G228-L231 PolarHBondContact O-N 3.36Å; L231-Y233 VanDerWaalsContact C-N 3.34Å; L231-Y233 PolarHBondContact O-N 3.47Å; L231-L234 HydrophobicContact CD2-CD1 4.33Å; L231-L234 PolarHBondContact O-N 3.21Å; L231-K235 WeakPolarHBondContact O-CG 3.29Å; L231-K235 PolarHBondContact O-N 3.09Å
232	G	89.8	Confident	90.3	Very high	28 Å²	28	59.4 Å²	59.4	29%	0.289	32%	0.32	S	S	.	.	H	α-helix	trans	-59.2	-43.1	173.5	0	0	0	0	0	112.6	G228 S229 G230 K235 S236	G228-G232 PolarHBondContact O-N 3.19Å; S229-G232 PolarHBondContact O-N 2.99Å; S229-G232 VanDerWaalsContact O-N 3.17Å; G230-G232 VanDerWaalsContact C-N 3.29Å; G230-G232 PolarHBondContact O-N 2.9Å; G232-K235 PolarHBondContact O-N 3.13Å; G232-S236 PolarHBondContact O-N 3.03Å
233	Y	87.5	Confident	89.9	Confident	55 Å²	55	61.9 Å²	61.9	22%	0.216	33%	0.332	C	S	.	.	H	α-helix	trans	-66.7	-40.1	175.9	-79	-69.6	0	0	0	112.9	I155 S187 S229 G230 L231 K235 S236 L237 W240	I155-Y233 HydrophobicContact CD1-CD2 3.38Å; I155-Y233 HydrophobicContact CD1-CE2 3.41Å; I155-Y233 VanDerWaalsContact CD1-CE2 3.41Å; I155-Y233 HydrophobicContact CD1-CG 3.98Å; I155-Y233 HydrophobicContact CG1-CD2 4Å; I155-Y233 HydrophobicContact CG1-CE2 4.41Å; I155-Y233 HydrophobicContact CG1-CG 4.13Å; S187-Y233 WeakPolarHBondContact CB-OH 3.43Å; S229-Y233 WeakPolarHBondContact O-CD2 3.41Å; S229-Y233 PolarHBondContact O-N 3.39Å; G230-Y233 PolarHBondContact O-N 3.21Å; L231-Y233 VanDerWaalsContact C-N 3.34Å; L231-Y233 PolarHBondContact O-N 3.47Å; Y233-K235 PolarHBondContact O-N 3.04Å; Y233-S236 PolarHBondContact O-N 3.35Å; Y233-S236 VanDerWaalsContact O-N 3.08Å; Y233-S236 PolarHBondContact O-OG 3.23Å; Y233-L237 WeakPolarHBondContact O-CG 3.41Å; Y233-L237 PolarHBondContact O-N 3.43Å; Y233-W240 AromaticContact CD1-CH2 3.4Å; Y233-W240 HydrophobicContact CD1-CH2 3.4Å; Y233-W240 VanDerWaalsContact CD1-CH2 3.4Å; Y233-W240 AromaticContact CD1-CZ2 3.73Å; Y233-W240 HydrophobicContact CD1-CZ2 3.73Å; Y233-W240 HydrophobicContact CD1-CZ3 4.47Å; Y233-W240 AromaticContact CE1-CH2 3.81Å; Y233-W240 HydrophobicContact CE1-CH2 3.81Å; Y233-W240 AromaticContact CE1-CZ2 3.99Å; Y233-W240 HydrophobicContact CE1-CZ2 3.99Å
234	L	89.2	Confident	89.2	Confident	105 Å²	105	61.9 Å²	61.9	55%	0.55	33%	0.329	S	S	.	.	H	α-helix	trans	-59	-37	176.1	-68.6	179.4	0	0	0	112	G230 L231 L237	G230-L234 PolarHBondContact O-N 2.86Å; G230-L234 VanDerWaalsContact O-N 3.08Å; L231-L234 HydrophobicContact CD2-CD1 4.33Å; L231-L234 PolarHBondContact O-N 3.21Å; L234-L237 HydrophobicContact CD2-CD1 3.69Å; L234-L237 WeakPolarHBondContact O-CB 3.46Å; L234-L237 WeakPolarHBondContact O-CG 3.48Å; L234-L237 PolarHBondContact O-N 3.42Å
235	K	90.1	Very high	88.8	Confident	177 Å²	177	61.7 Å²	61.7	77%	0.77	32%	0.323	S	S	*	.	H	α-helix	trans	-69.2	-30.2	176	-69.6	178	-177.6	-177.6	0	113.3	L231 G232 Y233 P238	L231-K235 WeakPolarHBondContact O-CG 3.29Å; L231-K235 PolarHBondContact O-N 3.09Å; G232-K235 PolarHBondContact O-N 3.13Å; Y233-K235 PolarHBondContact O-N 3.04Å; K235-P238 VanDerWaalsContact O-CD 3.29Å; K235-P238 WeakPolarHBondContact O-CD 3.5Å
236	S	86.7	Confident	88.5	Confident	33 Å²	33	65.2 Å²	65.2	23%	0.231	34%	0.337	C	S	.	.	H	α-helix	trans	-83	-9.1	177	61.5	0	0	0	0	113.8	G232 Y233 P238 E239 W240	G232-S236 PolarHBondContact O-N 3.03Å; Y233-S236 PolarHBondContact O-N 3.35Å; Y233-S236 VanDerWaalsContact O-N 3.08Å; Y233-S236 PolarHBondContact O-OG 3.23Å; S236-P238 VanDerWaalsContact C-CD 3.48Å; S236-E239 WeakPolarHBondContact O-CB 3.49Å; S236-E239 PolarHBondContact O-N 3Å; S236-E239 VanDerWaalsContact O-N 3.17Å; S236-W240 PolarHBondContact O-N 3.33Å
237	L	88	Confident	87.9	Confident	29 Å²	29	66.6 Å²	66.6	15%	0.152	34%	0.344	C	S	.	.	H	α-helix	trans	-56.1	-42.5	-179.8	-67.6	-179.7	0	0	0	115.1	T158 I162 Y233 L234 E239 W240 R241	T158-L237 HydrophobicContact CG2-CD1 4.3Å; T158-L237 HydrophobicContact CG2-CD2 3.37Å; T158-L237 HydrophobicContact CG2-CG 4.48Å; I162-L237 HydrophobicContact CD1-CD2 4.39Å; Y233-L237 WeakPolarHBondContact O-CG 3.41Å; Y233-L237 PolarHBondContact O-N 3.43Å; L234-L237 HydrophobicContact CD2-CD1 3.69Å; L234-L237 WeakPolarHBondContact O-CB 3.46Å; L234-L237 WeakPolarHBondContact O-CG 3.48Å; L234-L237 PolarHBondContact O-N 3.42Å; L237-E239 PolarHBondContact O-N 2.98Å; L237-W240 HydrophobicContact CD2-CE3 3.78Å; L237-W240 HydrophobicContact CD2-CZ3 4.01Å; L237-W240 PolarHBondContact O-N 3.04Å; L237-R241 WeakPolarHBondContact O-CG 3.36Å; L237-R241 PolarHBondContact O-N 3.11Å; L237-R241 VanDerWaalsContact O-N 3.08Å
238	P	89	Confident	87.2	Confident	74 Å²	74	64.4 Å²	64.4	48%	0.481	34%	0.337	S	S	.	.	H	α-helix	trans	-62.2	-35.4	178.8	-22.4	35	0	0	0	112.2	K235 S236 R241 K242	K235-P238 VanDerWaalsContact O-CD 3.29Å; K235-P238 WeakPolarHBondContact O-CD 3.5Å; S236-P238 VanDerWaalsContact C-CD 3.48Å; P238-R241 PolarHBondContact O-N 3.24Å; P238-K242 WeakPolarHBondContact O-CG 3.5Å; P238-K242 PolarHBondContact O-N 3.01Å
239	E	87.2	Confident	86.7	Confident	92 Å²	92	71 Å²	71	43%	0.43	36%	0.357	S	S	.	.	H	α-helix	trans	-67.7	-44.7	178.8	-171.6	54.2	-146.5	0	0	111	S236 L237 R241 K242 Q243	S236-E239 WeakPolarHBondContact O-CB 3.49Å; S236-E239 PolarHBondContact O-N 3Å; S236-E239 VanDerWaalsContact O-N 3.17Å; L237-E239 PolarHBondContact O-N 2.98Å; E239-R241 VanDerWaalsContact C-N 3.3Å; E239-R241 PolarHBondContact O-N 3.21Å; E239-K242 WeakPolarHBondContact O-CB 3.36Å; E239-K242 PolarHBondContact O-N 2.94Å; E239-K242 VanDerWaalsContact O-N 3.11Å; E239-Q243 WeakPolarHBondContact O-CG 3.37Å; E239-Q243 PolarHBondContact O-N 3.01Å; E239-Q243 PolarHBondContact OE1-NE2 3.11Å
240	W	83.6	Confident	86	Confident	31 Å²	31	77.9 Å²	77.9	12%	0.117	39%	0.394	C	S	.	.	H	α-helix	trans	-62.1	-37.3	176.4	-62	-6.6	0	0	0	112.8	V159 Y233 S236 L237 K242 M244	V159-W240 HydrophobicContact CG2-CE3 4.24Å; V159-W240 HydrophobicContact CG2-CH2 4.26Å; V159-W240 HydrophobicContact CG2-CZ3 3.64Å; Y233-W240 AromaticContact CD1-CH2 3.4Å; Y233-W240 HydrophobicContact CD1-CH2 3.4Å; Y233-W240 VanDerWaalsContact CD1-CH2 3.4Å; Y233-W240 AromaticContact CD1-CZ2 3.73Å; Y233-W240 HydrophobicContact CD1-CZ2 3.73Å; Y233-W240 HydrophobicContact CD1-CZ3 4.47Å; Y233-W240 AromaticContact CE1-CH2 3.81Å; Y233-W240 HydrophobicContact CE1-CH2 3.81Å; Y233-W240 AromaticContact CE1-CZ2 3.99Å; Y233-W240 HydrophobicContact CE1-CZ2 3.99Å; S236-W240 PolarHBondContact O-N 3.33Å; L237-W240 HydrophobicContact CD2-CE3 3.78Å; L237-W240 HydrophobicContact CD2-CZ3 4.01Å; L237-W240 PolarHBondContact O-N 3.04Å; W240-K242 VanDerWaalsContact C-N 3.31Å; W240-K242 PolarHBondContact O-N 3.13Å; W240-M244 WeakPolarHBondContact O-CB 3.43Å; W240-M244 VanDerWaalsContact O-CG 3.22Å; W240-M244 WeakPolarHBondContact O-CG 3.46Å; W240-M244 PolarHBondContact O-N 3.05Å
241	R	87.5	Confident	84.7	Confident	151 Å²	151	85.7 Å²	85.7	57%	0.57	42%	0.417	S	S	*	.	H	α-helix	trans	-63.4	-37.7	175.5	-72.5	178.2	-179.2	-167.5	1.7	112	I162 L237 P238 E239 A245	I162-R241 HydrophobicContact CD1-CG 4.18Å; I162-R241 HydrophobicContact CG1-CG 4.48Å; L237-R241 WeakPolarHBondContact O-CG 3.36Å; L237-R241 PolarHBondContact O-N 3.11Å; L237-R241 VanDerWaalsContact O-N 3.08Å; P238-R241 PolarHBondContact O-N 3.24Å; E239-R241 VanDerWaalsContact C-N 3.3Å; E239-R241 PolarHBondContact O-N 3.21Å; R241-A245 WeakPolarHBondContact O-CB 3.47Å; R241-A245 PolarHBondContact O-N 3.06Å; R241-A245 VanDerWaalsContact O-N 3.13Å
242	K	88.9	Confident	84.4	Confident	124 Å²	124	85.2 Å²	85.2	54%	0.539	41%	0.412	S	S	.	.	H	α-helix	trans	-67.6	-50.5	177	-69.8	175.1	-176.3	176.7	0	111.4	P238 E239 W240 M244 A245 E246	P238-K242 WeakPolarHBondContact O-CG 3.5Å; P238-K242 PolarHBondContact O-N 3.01Å; E239-K242 WeakPolarHBondContact O-CB 3.36Å; E239-K242 PolarHBondContact O-N 2.94Å; E239-K242 VanDerWaalsContact O-N 3.11Å; W240-K242 VanDerWaalsContact C-N 3.31Å; W240-K242 PolarHBondContact O-N 3.13Å; K242-M244 VanDerWaalsContact C-N 3.3Å; K242-M244 PolarHBondContact O-N 3.45Å; K242-A245 WeakPolarHBondContact O-CB 3.49Å; K242-A245 PolarHBondContact O-N 2.99Å; K242-E246 PolarHBondContact O-N 2.84Å
243	Q	85.1	Confident	84.1	Confident	53 Å²	53	88.2 Å²	88.2	25%	0.248	42%	0.419	C	S	.	.	H	α-helix	trans	-56.9	-44.3	178.8	-68	178	13	0	0	111.7	E239 A245 E246 I247	E239-Q243 WeakPolarHBondContact O-CG 3.37Å; E239-Q243 PolarHBondContact O-N 3.01Å; E239-Q243 PolarHBondContact OE1-NE2 3.11Å; Q243-A245 VanDerWaalsContact C-N 3.33Å; Q243-A245 PolarHBondContact O-N 3.17Å; Q243-E246 PolarHBondContact O-N 3.47Å; Q243-I247 WeakPolarHBondContact O-CG1 3.22Å; Q243-I247 PolarHBondContact O-N 2.96Å
244	M	81.7	Confident	83.9	Confident	15 Å²	15	90 Å²	90	7%	0.074	43%	0.43	C	S	.	.	H	α-helix	trans	-65.8	-34.5	177.2	-70.2	-73.4	-171.3	0	0	112.9	I162 M163 F167 V179 W240 K242 S248	I162-M244 HydrophobicContact CG2-CB 4.08Å; I162-M244 HydrophobicContact CG2-CG 3.8Å; M163-M244 HydrophobicContact CG-CE 3.65Å; M163-M244 HydrophobicContact CG-SD 4.38Å; M163-M244 HydrophobicContact SD-CE 4.43Å; F167-M244 HydrophobicContact CE2-SD 3.92Å; F167-M244 HydrophobicContact CZ-SD 4.3Å; V179-M244 HydrophobicContact CG2-CE 3.74Å; V179-M244 HydrophobicContact CG2-SD 4.37Å; W240-M244 WeakPolarHBondContact O-CB 3.43Å; W240-M244 VanDerWaalsContact O-CG 3.22Å; W240-M244 WeakPolarHBondContact O-CG 3.46Å; W240-M244 PolarHBondContact O-N 3.05Å; K242-M244 VanDerWaalsContact C-N 3.3Å; K242-M244 PolarHBondContact O-N 3.45Å; M244-S248 WeakPolarHBondContact O-CB 3.44Å; M244-S248 PolarHBondContact O-N 2.89Å
245	A	85.1	Confident	83.6	Confident	39 Å²	39	89.1 Å²	89.1	32%	0.322	42%	0.423	S	S	.	.	H	α-helix	trans	-68.6	-34.3	174.5	0	0	0	0	0	112.2	R241 K242 Q243 K249	R241-A245 WeakPolarHBondContact O-CB 3.47Å; R241-A245 PolarHBondContact O-N 3.06Å; R241-A245 VanDerWaalsContact O-N 3.13Å; K242-A245 WeakPolarHBondContact O-CB 3.49Å; K242-A245 PolarHBondContact O-N 2.99Å; Q243-A245 VanDerWaalsContact C-N 3.33Å; Q243-A245 PolarHBondContact O-N 3.17Å; A245-K249 WeakPolarHBondContact O-CG 3.3Å; A245-K249 PolarHBondContact O-N 3.08Å; A245-K249 VanDerWaalsContact O-N 3.13Å
246	E	85.7	Confident	83.2	Confident	118 Å²	118	83.6 Å²	83.6	55%	0.551	40%	0.402	S	S	*	.	H	α-helix	trans	-69.3	-45.3	174.9	-71.8	175.3	-173.4	0	0	112.1	K242 Q243 S248 K249 N250	K242-E246 PolarHBondContact O-N 2.84Å; Q243-E246 PolarHBondContact O-N 3.47Å; E246-S248 PolarHBondContact O-N 3Å; E246-K249 PolarHBondContact O-N 3.18Å; E246-K249 VanDerWaalsContact O-N 3.09Å; E246-N250 PolarHBondContact O-N 3.28Å
247	I	81.1	Confident	83	Confident	30 Å²	30	87 Å²	87	15%	0.154	41%	0.413	C	S	.	.	H	α-helix	trans	-59.5	-39.1	174.5	-66.3	160.6	0	0	0	110.8	F167 E177 V179 Q243 K249	F167-I247 HydrophobicContact CE1-CG2 4.11Å; F167-I247 HydrophobicContact CZ-CG2 3.83Å; E177-I247 HydrophobicContact CG-CD1 4.01Å; E177-I247 HydrophobicContact CG-CG1 4.39Å; E177-I247 HydrophobicContact CG-CG2 3.95Å; V179-I247 HydrophobicContact CG2-CD1 4.08Å; Q243-I247 WeakPolarHBondContact O-CG1 3.22Å; Q243-I247 PolarHBondContact O-N 2.96Å; I247-K249 VanDerWaalsContact C-N 3.35Å
248	S	79	Confident	82.6	Confident	48 Å²	48	91.1 Å²	91.1	34%	0.336	43%	0.432	S	S	.	.	H	α-helix	trans	-64.2	-36.5	175.7	-176.4	0	0	0	0	112.7	M244 E246	M244-S248 WeakPolarHBondContact O-CB 3.44Å; M244-S248 PolarHBondContact O-N 2.89Å; E246-S248 PolarHBondContact O-N 3Å
249	K	81.9	Confident	82.1	Confident	169 Å²	169	92.5 Å²	92.5	74%	0.735	43%	0.428	S	S	*	.	H	α-helix	trans	-75.6	-31.8	178.4	-75.7	177.6	-177.7	-179	0	114.3	A245 E246 I247 R251	A245-K249 WeakPolarHBondContact O-CG 3.3Å; A245-K249 PolarHBondContact O-N 3.08Å; A245-K249 VanDerWaalsContact O-N 3.13Å; E246-K249 PolarHBondContact O-N 3.18Å; E246-K249 VanDerWaalsContact O-N 3.09Å; I247-K249 VanDerWaalsContact C-N 3.35Å; K249-R251 PolarHBondContact O-N 3.01Å
250	N	77.2	Confident	81.7	Confident	148 Å²	148	92.5 Å²	92.5	79%	0.791	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	12.8	-178.9	-74.1	-15.2	0	0	0	113.3	E246	E246-N250 PolarHBondContact O-N 3.28Å
251	R	63.3	Low	81.5	Confident	184 Å²	184	98.1 Å²	98.1	69%	0.694	46%	0.456	S	S	*	.			trans	-104.1	0	-177.5	-156.7	-163.2	-83.7	-166.6	-10.2	110.9	K249	K249-R251 PolarHBondContact O-N 3.01Å

Retrieved 251 of 251 residues in 238.4 ms (Link to these results)

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