A0A093HJW8_STRCA Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB (A0A663DW75), UniProt , Accession A0A093HJW8, Species STRCA (Struthio camelus australis), Gene n/a, Length 207 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.5	Very low	45.2	Very low	240 Å²	240	154.9 Å²	154.9	100%	1.182	78%	0.775	S	S	*	*				0	118	0	-62	-175.4	176.3	0	0	105.8
2	S	42.4	Very low	45.4	Very low	98 Å²	98	151 Å²	151	69%	0.685	77%	0.773	S	S	*	*			cis	-166.1	133.5	8.4	-80.2	0	0	0	0	104
3	S	45.6	Very low	46.5	Very low	99 Å²	99	148.6 Å²	148.6	69%	0.692	77%	0.774	S	S	*	*				74.7	137.7	107	-54.5	0	0	0	0	112.8
4	D	49.7	Very low	46.2	Very low	121 Å²	121	147 Å²	147	65%	0.647	78%	0.782	S	S	*	*			cis	174.3	169.9	3.9	-117.6	-56.3	0	0	0	107.6
5	R	52.6	Low	45.9	Very low	221 Å²	221	146 Å²	146	83%	0.834	78%	0.783	S	S	*	*			trans	85.1	114.7	157.2	-66.6	149	-173.2	-142.2	2.4	118.3
6	Q	47.9	Very low	45.6	Very low	176 Å²	176	143.4 Å²	143.4	82%	0.822	78%	0.78	S	S	*	*				70.3	116.6	54.1	-80.5	166.4	-45.9	0	0	116.4
7	R	50.3	Low	45.2	Very low	228 Å²	228	142.3 Å²	142.3	86%	0.86	79%	0.785	S	S	*	*				173.4	122.6	126.6	-121.4	150.3	176.8	-114.9	-4.3	108
8	S	44.6	Very low	44.6	Very low	80 Å²	80	138.9 Å²	138.9	56%	0.559	79%	0.789	S	S	*	*				69.2	135	57	105.2	0	0	0	0	110.5
9	D	43	Very low	44.4	Very low	129 Å²	129	138.1 Å²	138.1	69%	0.69	79%	0.792	S	S	*	*			cis	-162.3	179.7	10.9	-74	-57.8	0	0	0	109
10	D	40.8	Very low	44.4	Very low	141 Å²	141	137.3 Å²	137.3	75%	0.754	80%	0.796	S	S	*	*			trans	70.8	148.5	143.6	-89.8	-49.4	0	0	0	120.6
11	E	39.9	Very low	44.2	Very low	171 Å²	171	138.9 Å²	138.9	80%	0.799	80%	0.801	S	S	*	*			cis	-158.5	174.3	11.5	-160.7	171.5	95.4	0	0	109
12	S	48.1	Very low	44.1	Very low	108 Å²	108	131.9 Å²	131.9	76%	0.755	78%	0.781	S	S	*	*			trans	-91.7	-142.1	-160.2	-57.4	0	0	0	0	115.7
13	P	59.7	Low	43.8	Very low	120 Å²	120	134.2 Å²	134.2	78%	0.779	79%	0.786	S	S	*	*				-116.4	178.2	-121.9	34.5	-12.6	0	0	0	113.5
14	S	41.2	Very low	43.5	Very low	126 Å²	126	136.4 Å²	136.4	88%	0.881	79%	0.786	S	S	*	*			trans	-135.9	127.8	166.9	43.9	0	0	0	0	113.4
15	T	42.3	Very low	43	Very low	132 Å²	132	140.6 Å²	140.6	81%	0.81	79%	0.792	S	S	*	*			trans	-97.9	151.8	179.2	51.9	0	0	0	0	110.8
16	S	42	Very low	42.5	Very low	105 Å²	105	137.8 Å²	137.8	73%	0.734	79%	0.794	S	S	*	*			trans	-179.1	105.6	141.2	57.5	0	0	0	0	108.3
17	S	37.2	Very low	42.8	Very low	124 Å²	124	135 Å²	135	87%	0.867	79%	0.791	S	S	*	*				70.8	117.3	78	72.2	0	0	0	0	114.2
18	G	34.8	Very low	42.6	Very low	82 Å²	82	130.2 Å²	130.2	85%	0.845	79%	0.79	S	S	*	*			trans	-177	70.7	170.3	0	0	0	0	0	111.9
19	S	40.7	Very low	42.6	Very low	122 Å²	122	130.8 Å²	130.8	85%	0.853	80%	0.799	S	S	*	*			trans	-92.9	144	164.5	-74.2	0	0	0	0	110
20	S	43.9	Very low	42.6	Very low	123 Å²	123	130.7 Å²	130.7	86%	0.86	81%	0.806	S	S	*	*			trans	-167.5	106.7	142.4	40	0	0	0	0	110.8
21	D	40.5	Very low	42.6	Very low	170 Å²	170	132.7 Å²	132.7	91%	0.909	81%	0.81	S	S	*	*			trans	-64.7	149.2	153.8	-84.4	-53.4	0	0	0	110.8
22	A	39	Very low	42.8	Very low	93 Å²	93	130 Å²	130	77%	0.769	81%	0.807	S	S	*	*			trans	-175	118.4	133.6	0	0	0	0	0	112.1
23	D	36.8	Very low	42.4	Very low	147 Å²	147	134.4 Å²	134.4	79%	0.786	82%	0.816	S	S	*	*			trans	-4.8	139.1	147	-83	-50.3	0	0	0	119.1
24	Q	39.3	Very low	41.2	Very low	146 Å²	146	137.3 Å²	137.3	68%	0.682	82%	0.82	S	S	*	*				178.6	119	112	-93	158.3	78.1	0	0	115.5
25	R	38.3	Very low	40.9	Very low	208 Å²	208	140.3 Å²	140.3	79%	0.785	82%	0.819	S	S	*	*				56.8	117	128.2	-64.1	-176.6	-75.6	-165	-7.4	121.1
26	D	41.8	Very low	40.5	Very low	163 Å²	163	143.1 Å²	143.1	87%	0.872	82%	0.823	S	S	*	*			trans	-65.5	155.2	163.3	-67.8	-55.8	0	0	0	114.7
27	P	54.9	Low	40.1	Very low	118 Å²	118	146.2 Å²	146.2	77%	0.766	83%	0.826	S	S	*	*			trans	-129.2	168.5	143.9	33.2	-16.3	0	0	0	113.5
28	P	45.1	Very low	40.1	Very low	127 Å²	127	152 Å²	152	83%	0.825	83%	0.829	S	S	*	*			trans	-97.1	170.3	-141.6	38	-36.2	0	0	0	116.2
29	A	45.4	Very low	40.3	Very low	92 Å²	92	157.2 Å²	157.2	76%	0.76	83%	0.829	S	S	*	*			trans	-67.1	160.2	177.8	0	0	0	0	0	115
30	P	43.3	Very low	40.2	Very low	127 Å²	127	157.2 Å²	157.2	83%	0.825	83%	0.825	S	S	*	*			trans	-108.9	131.8	154.9	33.1	-20.8	0	0	0	112.2
31	E	40.8	Very low	39.6	Very low	182 Å²	182	157 Å²	157	85%	0.85	82%	0.824	S	S	*	*			trans	-98.5	-174.2	156.5	-56.3	-169.4	142.8	0	0	109.8
32	P	44.5	Very low	39.6	Very low	114 Å²	114	153.2 Å²	153.2	74%	0.74	82%	0.816	S	S	*	*				-118.6	155.7	-99.2	31.7	-11.5	0	0	0	113
33	E	38.7	Very low	39.5	Very low	201 Å²	201	155.5 Å²	155.5	94%	0.939	82%	0.821	S	S	*	*			trans	-100.4	120.6	166.7	-75.7	-173.3	164	0	0	110.6
34	E	35.3	Very low	39.9	Very low	182 Å²	182	157 Å²	157	85%	0.85	82%	0.823	S	S	*	*			trans	-73.1	141.9	166.2	-70	178.5	132	0	0	110.7
35	Q	33.8	Very low	40	Very low	188 Å²	188	158.6 Å²	158.6	88%	0.879	83%	0.831	S	S	*	*			trans	-166.7	108.6	138.3	-106.7	164.6	29.6	0	0	113.4
36	E	34.5	Very low	40	Very low	191 Å²	191	157.8 Å²	157.8	89%	0.893	83%	0.833	S	S	*	*			trans	60	125.6	133.2	-109.9	177.7	162.5	0	0	123.9
37	E	34.1	Very low	39.7	Very low	171 Å²	171	159 Å²	159	80%	0.799	83%	0.83	S	S	*	*			trans	-59	141.5	174.9	-74.9	-176.6	114.3	0	0	115.5
38	R	36.9	Very low	38.7	Very low	246 Å²	246	160.2 Å²	160.2	93%	0.928	83%	0.83	S	S	*	*			trans	-145.1	114.8	140.3	-70.9	-167.7	174.9	176.4	-1.5	111.3
39	K	38.5	Very low	38.4	Very low	191 Å²	191	160.1 Å²	160.1	83%	0.83	83%	0.828	S	S	*	*			trans	-71.1	145.5	161	-74.7	179.6	179.8	172.2	0	109.4
40	P	38	Very low	37.9	Very low	121 Å²	121	165.1 Å²	165.1	79%	0.786	83%	0.832	S	S	*	*				-145.9	149.6	106.8	33.2	-15.8	0	0	0	115.8
41	S	31.3	Very low	37.9	Very low	120 Å²	120	166.4 Å²	166.4	84%	0.839	83%	0.832	S	S	*	*			trans	53.8	131.9	140.3	-149.4	0	0	0	0	122.2
42	A	42.3	Very low	38	Very low	89 Å²	89	163.1 Å²	163.1	74%	0.736	83%	0.829	S	S	*	*			trans	-57.1	138.7	176.4	0	0	0	0	0	114.4
43	T	36.4	Very low	38.1	Very low	142 Å²	142	162.4 Å²	162.4	87%	0.871	83%	0.826	S	S	*	*			trans	-147.4	126.1	145.5	-35.9	0	0	0	0	109.5
44	Q	44.9	Very low	38.6	Very low	177 Å²	177	162.2 Å²	162.2	83%	0.827	82%	0.822	S	S	*	*			trans	-67.3	126.4	-178.4	-62.7	172	7.1	0	0	110.7
45	Q	40.2	Very low	39.3	Very low	180 Å²	180	159.9 Å²	159.9	84%	0.841	82%	0.821	S	S	*	*			trans	-133.2	96.5	152.9	-82.3	-172.6	-7.8	0	0	109.2	K47	Q45-K47 PolarHBondContact O-N 2.96Å
46	K	38.4	Very low	40.6	Very low	191 Å²	191	157.3 Å²	157.3	83%	0.83	82%	0.818	S	S	*	*			trans	-59.5	100.2	164.5	-76.7	176.8	174.3	176	0	108.4	N48	K46-N48 PolarHBondContact O-N 3Å; K46-N48 VanDerWaalsContact O-N 3.11Å
47	K	35.6	Very low	42.2	Very low	188 Å²	188	152.2 Å²	152.2	82%	0.817	81%	0.809	S	S	*	*			trans	-72.5	96.9	160.1	-80.7	-177.5	177.3	176.5	0	107.6	Q45 T49	Q45-K47 PolarHBondContact O-N 2.96Å; K47-T49 VanDerWaalsContact C-N 3.3Å; K47-T49 PolarHBondContact O-N 2.88Å
48	N	34.3	Very low	44.4	Very low	144 Å²	144	153.4 Å²	153.4	77%	0.77	81%	0.811	S	S	*	*			trans	-63.9	92.2	163	-90.7	-5.6	0	0	0	108.4	K46 K50	K46-N48 PolarHBondContact O-N 3Å; K46-N48 VanDerWaalsContact O-N 3.11Å; N48-K50 PolarHBondContact O-N 2.97Å
49	T	38.3	Very low	46.7	Very low	126 Å²	126	145.5 Å²	145.5	77%	0.773	79%	0.787	S	S	*	*			trans	-69.1	86.2	155.6	36.4	0	0	0	0	107.1	K47 L51	K47-T49 VanDerWaalsContact C-N 3.3Å; K47-T49 PolarHBondContact O-N 2.88Å; T49-L51 VanDerWaalsContact C-N 3.3Å; T49-L51 PolarHBondContact O-N 3.11Å
50	K	36.3	Very low	49.4	Very low	196 Å²	196	138.8 Å²	138.8	85%	0.852	76%	0.764	S	S	*	*			trans	-63.5	95.7	171	-137.9	178.8	-172.8	-179	0	106.6	N48 S52	N48-K50 PolarHBondContact O-N 2.97Å; K50-S52 PolarHBondContact O-N 2.79Å
51	L	42.2	Very low	52.2	Low	155 Å²	155	138.4 Å²	138.4	81%	0.812	76%	0.76	S	S	*	*			trans	-50.3	113.7	156.9	-105.4	71.5	0	0	0	105.4	T49 S53	T49-L51 VanDerWaalsContact C-N 3.3Å; T49-L51 PolarHBondContact O-N 3.11Å; L51-S53 PolarHBondContact O-N 2.94Å
52	S	43.8	Very low	55.3	Low	113 Å²	113	132.9 Å²	132.9	79%	0.79	72%	0.721	S	S	*	*			trans	-61.4	93.9	170.6	-178.3	0	0	0	0	106.7	K50 K54	K50-S52 PolarHBondContact O-N 2.79Å; S52-K54 PolarHBondContact O-N 3.01Å
53	S	45.3	Very low	58	Low	98 Å²	98	128.9 Å²	128.9	69%	0.685	69%	0.688	S	S	*	*			trans	-56.3	106.9	166.5	53.2	0	0	0	0	105.8	L51 T55	L51-S53 PolarHBondContact O-N 2.94Å; S53-T55 PolarHBondContact O-N 2.99Å
54	K	49.8	Very low	60.9	Low	197 Å²	197	127 Å²	127	86%	0.857	67%	0.668	S	S	*	*			trans	-50.4	105.9	169	-76.9	-179.3	176.8	178.2	0	106.9	S52 T56	S52-K54 PolarHBondContact O-N 3.01Å; K54-T56 PolarHBondContact O-N 2.83Å
55	T	50.2	Low	63.4	Low	133 Å²	133	121.2 Å²	121.2	82%	0.816	64%	0.638	S	S	*	*			trans	-64.8	103.4	168.9	-11	0	0	0	0	105.2	S53 A57	S53-T55 PolarHBondContact O-N 2.99Å; T55-A57 VanDerWaalsContact C-N 3.32Å; T55-A57 PolarHBondContact O-N 2.84Å
56	T	60.4	Low	66.2	Low	135 Å²	135	112.7 Å²	112.7	83%	0.828	60%	0.598	S	S	*	*			trans	-59.4	102.1	168.8	-46.2	0	0	0	0	106.2	K54 K58	K54-T56 PolarHBondContact O-N 2.83Å; T56-K58 PolarHBondContact O-N 3.19Å; T56-K58 VanDerWaalsContact O-N 3.15Å
57	A	68.9	Low	69	Low	84 Å²	84	107.5 Å²	107.5	69%	0.694	58%	0.577	S	S	*	*			trans	-54.6	125	-179.4	0	0	0	0	0	108.2	T55 L59	T55-A57 VanDerWaalsContact C-N 3.32Å; T55-A57 PolarHBondContact O-N 2.84Å; A57-L59 PolarHBondContact O-N 3.06Å; A57-L59 VanDerWaalsContact O-N 3.09Å
58	K	80.1	Confident	72	Confident	196 Å²	196	104.6 Å²	104.6	85%	0.852	56%	0.564	S	S	*	*			trans	-65	114.9	-179	-147.4	177.9	-169.4	178.8	0	107.1	T56 S60	T56-K58 PolarHBondContact O-N 3.19Å; T56-K58 VanDerWaalsContact O-N 3.15Å; K58-S60 PolarHBondContact O-N 3.07Å
59	L	85.3	Confident	75.1	Confident	79 Å²	79	98 Å²	98	41%	0.414	53%	0.529	S	S	.	.			trans	-54.8	140	179.1	-70	166	0	0	0	110.8	A57 A63 K64	A57-L59 PolarHBondContact O-N 3.06Å; A57-L59 VanDerWaalsContact O-N 3.09Å; L59-A63 HydrophobicContact CB-CB 4.26Å; L59-A63 HydrophobicContact CD2-CB 4.18Å; L59-K64 HydrophobicContact CB-CG 3.87Å; L59-K64 WeakPolarHBondContact O-CE 3.38Å; L59-K64 PolarHBondContact O-NZ 3.47Å
60	S	95.4	Very high	77.9	Confident	51 Å²	51	94.1 Å²	94.1	36%	0.357	50%	0.503	S	S	.	.			trans	-60.5	160.7	172.9	67.7	0	0	0	0	110.9	K58 S62 A63 K64 Y91	K58-S60 PolarHBondContact O-N 3.07Å; S60-S62 VanDerWaalsContact C-N 3.31Å; S60-S62 PolarHBondContact O-N 3.21Å; S60-S62 PolarHBondContact OG-OG 3.15Å; S60-A63 PolarHBondContact O-N 3.09Å; S60-A63 WeakPolarHBondContact OG-CB 3.18Å; S60-A63 PolarHBondContact OG-N 3.35Å; S60-K64 WeakPolarHBondContact O-CG 2.83Å; S60-K64 PolarHBondContact O-N 3.41Å; S60-Y91 PolarHBondContact OG-OH 3.04Å
61	T	96	Very high	80.9	Confident	113 Å²	113	87.8 Å²	87.8	69%	0.693	49%	0.488	S	S	*	.	H	α-helix	trans	-59	-43.4	175.1	44.7	0	0	0	0	111.7	K64 R65	T61-K64 PolarHBondContact O-N 3.45Å; T61-R65 WeakPolarHBondContact O-CB 3.26Å; T61-R65 PolarHBondContact O-N 3.06Å
62	S	97.5	Very high	83.5	Confident	4 Å²	4	84.3 Å²	84.3	3%	0.028	47%	0.467	C	S	.	.	H	α-helix	trans	-60.2	-47.7	174.3	41.6	0	0	0	0	112.2	S60 K64 R65 I66 Y91 S118 Y120	S60-S62 VanDerWaalsContact C-N 3.31Å; S60-S62 PolarHBondContact O-N 3.21Å; S60-S62 PolarHBondContact OG-OG 3.15Å; S62-K64 PolarHBondContact O-N 3.36Å; S62-R65 WeakPolarHBondContact O-CB 3.48Å; S62-R65 PolarHBondContact O-N 2.67Å; S62-I66 VanDerWaalsContact O-CG1 3.28Å; S62-I66 WeakPolarHBondContact O-CG1 3.47Å; S62-I66 PolarHBondContact O-N 3.29Å; S62-Y91 PolarHBondContact OG-OH 3.02Å; S62-S118 VanDerWaalsContact CB-O 3.29Å; S62-S118 WeakPolarHBondContact CB-O 3.38Å; S62-S118 PolarHBondContact OG-O 2.85Å; S62-Y120 WeakPolarHBondContact CA-O 3.27Å; S62-Y120 WeakPolarHBondContact CB-O 3.41Å
63	A	97.8	Very high	86	Confident	4 Å²	4	79.1 Å²	79.1	3%	0.033	43%	0.431	C	S	.	.	H	α-helix	trans	-58.9	-44.6	176.8	0	0	0	0	0	112.5	L59 S60 R65 I66 Q67 I90 Y91	L59-A63 HydrophobicContact CB-CB 4.26Å; L59-A63 HydrophobicContact CD2-CB 4.18Å; S60-A63 PolarHBondContact O-N 3.09Å; S60-A63 WeakPolarHBondContact OG-CB 3.18Å; S60-A63 PolarHBondContact OG-N 3.35Å; A63-R65 VanDerWaalsContact C-N 3.34Å; A63-R65 PolarHBondContact O-N 2.86Å; A63-I66 PolarHBondContact O-N 3.05Å; A63-Q67 WeakPolarHBondContact O-CB 3.34Å; A63-Q67 WeakPolarHBondContact O-CG 3.5Å; A63-Q67 PolarHBondContact O-N 3.45Å; A63-I90 HydrophobicContact CB-CD1 3.52Å; A63-Y91 PolarHBondContact N-OH 2.99Å
64	K	97.8	Very high	88.5	Confident	103 Å²	103	79.4 Å²	79.4	45%	0.448	43%	0.428	S	S	.	.	H	α-helix	trans	-62.6	-41.5	176.6	-70.9	171.9	-176.7	167	0	112	L59 S60 T61 S62 Q67 K68	L59-K64 HydrophobicContact CB-CG 3.87Å; L59-K64 WeakPolarHBondContact O-CE 3.38Å; L59-K64 PolarHBondContact O-NZ 3.47Å; S60-K64 WeakPolarHBondContact O-CG 2.83Å; S60-K64 PolarHBondContact O-N 3.41Å; T61-K64 PolarHBondContact O-N 3.45Å; S62-K64 PolarHBondContact O-N 3.36Å; K64-Q67 PolarHBondContact O-N 3.32Å; K64-K68 WeakPolarHBondContact O-CB 3.5Å; K64-K68 PolarHBondContact O-N 3.01Å
65	R	98.3	Very high	90.7	Very high	55 Å²	55	77.3 Å²	77.3	21%	0.208	43%	0.425	C	S	.	.	H	α-helix	trans	-62.8	-46.3	176.7	172.5	61.7	-171.3	-90.6	-15.3	111.3	T61 S62 A63 K68 E69 Y120 P121 P155 L157	T61-R65 WeakPolarHBondContact O-CB 3.26Å; T61-R65 PolarHBondContact O-N 3.06Å; S62-R65 WeakPolarHBondContact O-CB 3.48Å; S62-R65 PolarHBondContact O-N 2.67Å; A63-R65 VanDerWaalsContact C-N 3.34Å; A63-R65 PolarHBondContact O-N 2.86Å; R65-K68 PolarHBondContact O-N 3.5Å; R65-E69 IonicContact CZ-OE1 3.03Å; R65-E69 IonicContact NE-OE1 3.85Å; R65-E69 PolarHBondContact NE-OE1 3.19Å; R65-E69 IonicContact NH2-OE1 3.69Å; R65-E69 PolarHBondContact NH2-OE1 3Å; R65-E69 PolarHBondContact O-N 2.91Å; R65-Y120 HydrophobicContact CG-CD1 3.95Å; R65-Y120 HydrophobicContact CG-CE1 3.67Å; R65-P121 HydrophobicContact CG-CB 4.31Å; R65-P121 HydrophobicContact CG-CG 4.18Å; R65-P155 PolarHBondContact NH1-O 3.36Å; R65-P155 PolarHBondContact NH2-O 2.87Å; R65-L157 PolarHBondContact NH2-O 2.84Å
66	I	98.5	Very high	92.8	Very high	1 Å²	1	77.1 Å²	77.1	1%	0.005	42%	0.419	C	S	.	.	H	α-helix	trans	-64	-42.9	178.3	-65.4	163.6	0	0	0	111.1	S62 A63 K68 E69 L70 I90 Y91 W93 F116 Y120	S62-I66 VanDerWaalsContact O-CG1 3.28Å; S62-I66 WeakPolarHBondContact O-CG1 3.47Å; S62-I66 PolarHBondContact O-N 3.29Å; A63-I66 PolarHBondContact O-N 3.05Å; I66-K68 VanDerWaalsContact C-N 3.33Å; I66-K68 PolarHBondContact O-N 2.92Å; I66-E69 PolarHBondContact O-N 3.49Å; I66-L70 WeakPolarHBondContact O-CB 3.2Å; I66-L70 PolarHBondContact O-N 3.4Å; I66-I90 HydrophobicContact CG2-CB 4.5Å; I66-I90 WeakPolarHBondContact CG2-O 3.15Å; I66-Y91 HydrophobicContact CD1-CD1 3.6Å; I66-Y91 HydrophobicContact CD1-CE1 3.61Å; I66-Y91 HydrophobicContact CD1-CG 4.22Å; I66-W93 HydrophobicContact CG2-CZ2 3.62Å; I66-F116 HydrophobicContact CD1-CB 3.67Å; I66-F116 HydrophobicContact CD1-CD1 4.05Å; I66-F116 HydrophobicContact CD1-CD2 4.13Å; I66-F116 HydrophobicContact CD1-CG 3.71Å; I66-F116 HydrophobicContact CG1-CD1 3.95Å; I66-F116 HydrophobicContact CG1-CD2 4.47Å; I66-F116 HydrophobicContact CG1-CE1 4.19Å; I66-F116 HydrophobicContact CG1-CG 4.08Å; I66-F116 HydrophobicContact CG2-CE2 4.3Å; I66-F116 HydrophobicContact CG2-CZ 4.4Å; I66-Y120 HydrophobicContact CD1-CD1 4.33Å; I66-Y120 HydrophobicContact CG1-CD1 3.73Å; I66-Y120 HydrophobicContact CG1-CE1 4.08Å
67	Q	98.1	Very high	94.5	Very high	82 Å²	82	73.8 Å²	73.8	38%	0.383	40%	0.4	S	S	.	.	H	α-helix	trans	-62.5	-39	176.2	-77.5	177.8	-1.6	0	0	112.6	A63 K64 L70 A71 I90	A63-Q67 WeakPolarHBondContact O-CB 3.34Å; A63-Q67 WeakPolarHBondContact O-CG 3.5Å; A63-Q67 PolarHBondContact O-N 3.45Å; K64-Q67 PolarHBondContact O-N 3.32Å; Q67-L70 WeakPolarHBondContact O-CB 3.45Å; Q67-L70 PolarHBondContact O-N 3Å; Q67-A71 PolarHBondContact O-N 3.47Å; Q67-I90 HydrophobicContact CG-CD1 4.39Å
68	K	98.2	Very high	95.7	Very high	128 Å²	128	70.2 Å²	70.2	56%	0.557	37%	0.37	S	S	*	.	H	α-helix	trans	-61.9	-47.9	174.4	178.9	175.8	169.1	177.2	0	111.1	K64 R65 I66 L70 A71 E72	K64-K68 WeakPolarHBondContact O-CB 3.5Å; K64-K68 PolarHBondContact O-N 3.01Å; R65-K68 PolarHBondContact O-N 3.5Å; I66-K68 VanDerWaalsContact C-N 3.33Å; I66-K68 PolarHBondContact O-N 2.92Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 3.37Å; K68-A71 PolarHBondContact O-N 3.32Å; K68-E72 WeakPolarHBondContact CE-OE1 3.48Å; K68-E72 IonicContact NZ-OE1 3.59Å; K68-E72 WeakPolarHBondContact O-CG 3.37Å; K68-E72 PolarHBondContact O-N 3.5Å
69	E	98.5	Very high	96.3	Very high	5 Å²	5	65.5 Å²	65.5	2%	0.023	36%	0.359	C	S	.	.	H	α-helix	trans	-64.4	-33.4	177	-73.8	-171.9	-127.9	0	0	112.9	R65 I66 E72 I73 Y120 T158 I159	R65-E69 IonicContact CZ-OE1 3.03Å; R65-E69 IonicContact NE-OE1 3.85Å; R65-E69 PolarHBondContact NE-OE1 3.19Å; R65-E69 IonicContact NH2-OE1 3.69Å; R65-E69 PolarHBondContact NH2-OE1 3Å; R65-E69 PolarHBondContact O-N 2.91Å; I66-E69 PolarHBondContact O-N 3.49Å; E69-E72 PolarHBondContact O-N 3.29Å; E69-I73 WeakPolarHBondContact O-CB 3.36Å; E69-I73 WeakPolarHBondContact O-CG2 3.13Å; E69-I73 PolarHBondContact O-N 3.45Å; E69-Y120 VanDerWaalsContact CD-OH 3.26Å; E69-Y120 VanDerWaalsContact OE1-CE1 3.29Å; E69-Y120 WeakPolarHBondContact OE1-CE1 3.47Å; E69-Y120 PolarHBondContact OE1-OH 3.33Å; E69-Y120 PolarHBondContact OE2-OH 3.4Å; E69-T158 HydrophobicContact CG-CG2 4.42Å; E69-T158 VanDerWaalsContact OE2-CA 3.25Å; E69-T158 WeakPolarHBondContact OE2-CA 3.36Å; E69-T158 VanDerWaalsContact OE2-CB 3.31Å; E69-T158 WeakPolarHBondContact OE2-CB 3.46Å; E69-I159 PolarHBondContact OE2-N 3.05Å
70	L	98.4	Very high	96.7	Very high	45 Å²	45	65.4 Å²	65.4	24%	0.236	36%	0.359	C	S	.	.	H	α-helix	trans	-61.9	-44.7	173.3	-178.3	56.2	0	0	0	111.4	I66 Q67 K68 I73 T74 P85 W93	I66-L70 WeakPolarHBondContact O-CB 3.2Å; I66-L70 PolarHBondContact O-N 3.4Å; Q67-L70 WeakPolarHBondContact O-CB 3.45Å; Q67-L70 PolarHBondContact O-N 3Å; K68-L70 VanDerWaalsContact C-N 3.3Å; K68-L70 PolarHBondContact O-N 3.37Å; L70-I73 HydrophobicContact CD1-CG2 4.41Å; L70-I73 WeakPolarHBondContact O-CG2 3.25Å; L70-T74 VanDerWaalsContact O-CB 3.27Å; L70-T74 WeakPolarHBondContact O-CB 3.39Å; L70-T74 PolarHBondContact O-N 3.01Å; L70-T74 PolarHBondContact O-OG1 3.2Å; L70-P85 HydrophobicContact CD2-CG 3.82Å; L70-W93 HydrophobicContact CB-CH2 3.86Å; L70-W93 HydrophobicContact CB-CZ2 3.73Å; L70-W93 HydrophobicContact CD1-CH2 4.02Å; L70-W93 HydrophobicContact CD1-CZ2 4.03Å; L70-W93 HydrophobicContact CG-CZ2 4.35Å
71	A	98.1	Very high	96.8	Very high	63 Å²	63	63.6 Å²	63.6	52%	0.521	35%	0.347	S	S	.	.	H	α-helix	trans	-63.4	-43.3	176.3	0	0	0	0	0	111.3	Q67 K68 T74 L75	Q67-A71 PolarHBondContact O-N 3.47Å; K68-A71 PolarHBondContact O-N 3.32Å; A71-T74 PolarHBondContact O-N 2.85Å; A71-L75 WeakPolarHBondContact O-CB 3.33Å; A71-L75 PolarHBondContact O-N 3.08Å
72	E	97.1	Very high	96.9	Very high	81 Å²	81	61.2 Å²	61.2	38%	0.379	34%	0.335	S	S	.	.	H	α-helix	trans	-63	-50.2	178.6	-72	172.1	-179.4	0	0	112.1	K68 E69 T74 L75 D76	K68-E72 WeakPolarHBondContact CE-OE1 3.48Å; K68-E72 IonicContact NZ-OE1 3.59Å; K68-E72 WeakPolarHBondContact O-CG 3.37Å; K68-E72 PolarHBondContact O-N 3.5Å; E69-E72 PolarHBondContact O-N 3.29Å; E72-T74 VanDerWaalsContact C-N 3.28Å; E72-T74 PolarHBondContact O-N 2.88Å; E72-L75 PolarHBondContact O-N 3.13Å; E72-D76 PolarHBondContact O-N 3.31Å
73	I	97.1	Very high	96.9	Very high	5 Å²	5	61.9 Å²	61.9	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-69.6	-25.6	-178.8	-159.4	164.8	0	0	0	112.9	E69 L70 P77 A83 W93 I159 L163	E69-I73 WeakPolarHBondContact O-CB 3.36Å; E69-I73 WeakPolarHBondContact O-CG2 3.13Å; E69-I73 PolarHBondContact O-N 3.45Å; L70-I73 HydrophobicContact CD1-CG2 4.41Å; L70-I73 WeakPolarHBondContact O-CG2 3.25Å; I73-P77 VanDerWaalsContact O-CA 3.26Å; I73-P77 WeakPolarHBondContact O-CA 3.23Å; I73-P77 WeakPolarHBondContact O-CB 3.33Å; I73-A83 HydrophobicContact CD1-CB 3.97Å; I73-W93 HydrophobicContact CG2-CH2 4.34Å; I73-W93 HydrophobicContact CG2-CZ3 4.16Å; I73-I159 HydrophobicContact CD1-CG2 4.13Å; I73-L163 HydrophobicContact CD1-CD1 3.97Å
74	T	96.3	Very high	97	Very high	103 Å²	103	62.5 Å²	62.5	63%	0.632	35%	0.347	S	S	*	.	H	α-helix	trans	-74	-36.1	174	-57.6	0	0	0	0	111	L70 A71 E72	L70-T74 VanDerWaalsContact O-CB 3.27Å; L70-T74 WeakPolarHBondContact O-CB 3.39Å; L70-T74 PolarHBondContact O-N 3.01Å; L70-T74 PolarHBondContact O-OG1 3.2Å; A71-T74 PolarHBondContact O-N 2.85Å; E72-T74 VanDerWaalsContact C-N 3.28Å; E72-T74 PolarHBondContact O-N 2.88Å
75	L	96.7	Very high	97	Very high	153 Å²	153	59.8 Å²	59.8	80%	0.801	34%	0.34	S	S	*	.	H	α-helix	trans	-77.1	-43.3	179.3	-177.6	65	0	0	0	112.2	A71 E72	A71-L75 WeakPolarHBondContact O-CB 3.33Å; A71-L75 PolarHBondContact O-N 3.08Å; E72-L75 PolarHBondContact O-N 3.13Å
76	D	95.5	Very high	96.9	Very high	129 Å²	129	61 Å²	61	69%	0.69	35%	0.346	S	S	*	.	S	Bend	trans	-135.7	77.7	-176.2	-172.6	30	0	0	0	110	E72	E72-D76 PolarHBondContact O-N 3.31Å
77	P	95.3	Very high	96.8	Very high	65 Å²	65	63.1 Å²	63.1	42%	0.422	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-69.4	142.4	-179.8	27.3	-33.4	0	0	0	110.9	I73	I73-P77 VanDerWaalsContact O-CA 3.26Å; I73-P77 WeakPolarHBondContact O-CA 3.23Å; I73-P77 WeakPolarHBondContact O-CB 3.33Å
78	P	94.4	Very high	96.7	Very high	9 Å²	9	67.3 Å²	67.3	6%	0.058	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-57.3	146	171.4	-16.6	24.3	0	0	0	110.9	N80 C81 L164	P78-N80 PolarHBondContact O-N 3Å; P78-C81 HydrophobicContact CB-CB 3.91Å; P78-C81 HydrophobicContact CG-CB 4.2Å; P78-C81 PolarHBondContact O-N 2.86Å; P78-L164 HydrophobicContact CB-CD2 3.8Å; P78-L164 HydrophobicContact CB-CG 3.91Å
79	P	92.8	Very high	96.7	Very high	97 Å²	97	64.7 Å²	64.7	63%	0.63	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	134.4	176.7	-27.4	34.7	0	0	0	111.5	C81	P79-C81 PolarHBondContact O-N 2.74Å; P79-C81 PolarHBondContact O-SG 2.94Å; P79-C81 VanDerWaalsContact O-SG 3.36Å
80	N	93.3	Very high	96.6	Very high	77 Å²	77	66.3 Å²	66.3	41%	0.412	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	13.3	178.8	-62.1	-32	0	0	0	115.3	P78 L98	P78-N80 PolarHBondContact O-N 3Å; N80-L98 HydrophobicContact CB-CB 4.04Å; N80-L98 PolarHBondContact O-N 3.06Å
81	C	97.6	Very high	96.6	Very high	14 Å²	14	66.6 Å²	66.6	10%	0.095	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.2	-179.3	-58.6	0	0	0	0	111.8	P78 P79 T96 L163 C167	P78-C81 HydrophobicContact CB-CB 3.91Å; P78-C81 HydrophobicContact CG-CB 4.2Å; P78-C81 PolarHBondContact O-N 2.86Å; P79-C81 PolarHBondContact O-N 2.74Å; P79-C81 PolarHBondContact O-SG 2.94Å; P79-C81 VanDerWaalsContact O-SG 3.36Å; C81-T96 CarbonylContact C-O 3.6Å; C81-T96 WeakPolarHBondContact CA-O 3.44Å; C81-L163 HydrophobicContact CB-CB 4.44Å; C81-L163 HydrophobicContact CB-CD1 4.3Å; C81-C167 PolarHBondContact SG-SG 2.85Å
82	S	97.9	Very high	96.7	Very high	63 Å²	63	67.5 Å²	67.5	44%	0.441	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	151.7	161.6	64.5	0	0	0	0	109.6	S95 T96	S82-S95 CarbonylContact O-C 3.56Å; S82-S95 WeakPolarHBondContact O-CA 3.44Å; S82-S95 WeakPolarHBondContact O-CB 3.38Å; S82-S95 PolarHBondContact O-OG 3.36Å; S82-T96 PolarHBondContact N-O 2.59Å; S82-T96 PolarHBondContact O-N 2.74Å
83	A	98.4	Very high	96.7	Very high	17 Å²	17	63.7 Å²	63.7	14%	0.14	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	152	170.4	0	0	0	0	0	112	I73 W93 R94 I114 I159 L163	I73-A83 HydrophobicContact CD1-CB 3.97Å; A83-W93 HydrophobicContact CB-CE3 3.87Å; A83-W93 HydrophobicContact CB-CZ3 4.24Å; A83-R94 VanDerWaalsContact CA-O 3.23Å; A83-R94 WeakPolarHBondContact CA-O 3.3Å; A83-I114 HydrophobicContact CB-CD1 4.43Å; A83-I159 HydrophobicContact CB-CG2 4.44Å; A83-L163 HydrophobicContact CB-CD1 3.97Å
84	G	98.3	Very high	96.8	Very high	17 Å²	17	68 Å²	68	18%	0.175	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.7	174.9	174.6	0	0	0	0	0	112.6	W93 R94	G84-W93 VanDerWaalsContact C-CG 3.47Å; G84-W93 CarbonylContact O-C 3.49Å; G84-W93 WeakPolarHBondContact O-CA 3.33Å; G84-W93 VanDerWaalsContact O-CB 3.25Å; G84-W93 WeakPolarHBondContact O-CB 3.31Å; G84-R94 PolarHBondContact N-O 3.1Å; G84-R94 PolarHBondContact O-N 3.43Å
85	P	98.4	Very high	96.9	Very high	46 Å²	46	63.1 Å²	63.1	30%	0.299	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	142.4	179.8	-23.4	32.4	0	0	0	112.6	L70 G87 E92	L70-P85 HydrophobicContact CD2-CG 3.82Å; P85-G87 WeakPolarHBondContact CB-O 3.28Å; P85-G87 PolarHBondContact O-N 2.88Å; P85-E92 CarbonylContact C-O 3.51Å; P85-E92 WeakPolarHBondContact CA-O 3.25Å
86	K	97.4	Very high	97	Very high	80 Å²	80	57.3 Å²	57.3	35%	0.348	33%	0.325	S	S	.	.	S	Bend	trans	-72.4	-19.2	173.8	-61.9	179.9	-161.8	176	0	112.9	E92 W93 R94 D113	K86-E92 HydrophobicContact CD-CB 4.44Å; K86-E92 PolarHBondContact N-O 3.35Å; K86-W93 VanDerWaalsContact CE-C 3.48Å; K86-W93 WeakPolarHBondContact CE-O 3.34Å; K86-R94 HydrophobicContact CG-CB 4.13Å; K86-D113 WeakPolarHBondContact CE-OD1 3.29Å; K86-D113 IonicContact NZ-OD1 3.74Å; K86-D113 PolarHBondContact NZ-OD1 3.02Å; K86-D113 IonicContact NZ-OD2 2.77Å
87	G	96.2	Very high	97.2	Very high	46 Å²	46	51.1 Å²	51.1	47%	0.474	29%	0.292	S	S	.	.	S	Bend	trans	179.5	-145.1	-175.5	0	0	0	0	0	109.2	P85 N89	P85-G87 WeakPolarHBondContact CB-O 3.28Å; P85-G87 PolarHBondContact O-N 2.88Å; G87-N89 VanDerWaalsContact C-N 3.28Å; G87-N89 PolarHBondContact O-N 3.16Å
88	D	95.8	Very high	97.3	Very high	171 Å²	171	51.8 Å²	51.8	91%	0.914	29%	0.292	S	S	*	.	S	Bend	trans	-69.7	-22.9	-173.4	-58.8	-21.7	0	0	0	113.9	I90	D88-I90 PolarHBondContact O-N 3.35Å
89	N	97	Very high	97.5	Very high	73 Å²	73	51.7 Å²	51.7	39%	0.39	29%	0.292	S	S	.	.			trans	-78	102.6	177.2	-174.7	4.7	0	0	0	111.1	G87 Y91 E92	G87-N89 VanDerWaalsContact C-N 3.28Å; G87-N89 PolarHBondContact O-N 3.16Å; N89-Y91 PolarHBondContact O-N 3.35Å; N89-Y91 VanDerWaalsContact O-N 3.08Å; N89-Y91 WeakPolarHBondContact OD1-CB 3.49Å; N89-Y91 PolarHBondContact OD1-N 3.19Å; N89-E92 PolarHBondContact ND2-OE1 2.87Å; N89-E92 VanDerWaalsContact ND2-OE1 3.09Å; N89-E92 PolarHBondContact O-N 2.76Å; N89-E92 VanDerWaalsContact O-N 3.13Å
90	I	97.5	Very high	97.8	Very high	39 Å²	39	47.6 Å²	47.6	20%	0.2	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-16.6	178.8	69.7	168.2	0	0	0	113.9	A63 I66 Q67 D88 E92 W93	A63-I90 HydrophobicContact CB-CD1 3.52Å; I66-I90 HydrophobicContact CG2-CB 4.5Å; I66-I90 WeakPolarHBondContact CG2-O 3.15Å; Q67-I90 HydrophobicContact CG-CD1 4.39Å; D88-I90 PolarHBondContact O-N 3.35Å; I90-E92 VanDerWaalsContact C-N 3.31Å; I90-W93 VanDerWaalsContact O-CD1 3.25Å; I90-W93 PolarHBondContact O-NE1 3.38Å
91	Y	98.4	Very high	98	Very high	51 Å²	51	48.2 Å²	48.2	20%	0.2	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-1.8	179.5	-67	-97	0	0	0	113.3	S60 S62 A63 I66 N89 T115 F116	S60-Y91 PolarHBondContact OG-OH 3.04Å; S62-Y91 PolarHBondContact OG-OH 3.02Å; A63-Y91 PolarHBondContact N-OH 2.99Å; I66-Y91 HydrophobicContact CD1-CD1 3.6Å; I66-Y91 HydrophobicContact CD1-CE1 3.61Å; I66-Y91 HydrophobicContact CD1-CG 4.22Å; N89-Y91 PolarHBondContact O-N 3.35Å; N89-Y91 VanDerWaalsContact O-N 3.08Å; N89-Y91 WeakPolarHBondContact OD1-CB 3.49Å; N89-Y91 PolarHBondContact OD1-N 3.19Å; Y91-T115 WeakPolarHBondContact O-CA 3.29Å; Y91-F116 HydrophobicContact CD1-CB 3.79Å; Y91-F116 WeakPolarHBondContact O-CD2 3.29Å; Y91-F116 PolarHBondContact O-N 2.74Å
92	E	98.7	Very high	97.9	Very high	82 Å²	82	51.1 Å²	51.1	38%	0.383	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	110.8	179.1	-73.4	-178.8	-143.9	0	0	111	P85 K86 N89 I90	P85-E92 CarbonylContact C-O 3.51Å; P85-E92 WeakPolarHBondContact CA-O 3.25Å; K86-E92 HydrophobicContact CD-CB 4.44Å; K86-E92 PolarHBondContact N-O 3.35Å; N89-E92 PolarHBondContact ND2-OE1 2.87Å; N89-E92 VanDerWaalsContact ND2-OE1 3.09Å; N89-E92 PolarHBondContact O-N 2.76Å; N89-E92 VanDerWaalsContact O-N 3.13Å; I90-E92 VanDerWaalsContact C-N 3.31Å
93	W	98.8	Very high	98	Very high	1 Å²	1	49 Å²	49	0%	0.004	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	152.5	-177	-75.6	28.5	0	0	0	111.8	I66 L70 I73 A83 G84 K86 I90 I114 F116 I159	I66-W93 HydrophobicContact CG2-CZ2 3.62Å; L70-W93 HydrophobicContact CB-CH2 3.86Å; L70-W93 HydrophobicContact CB-CZ2 3.73Å; L70-W93 HydrophobicContact CD1-CH2 4.02Å; L70-W93 HydrophobicContact CD1-CZ2 4.03Å; L70-W93 HydrophobicContact CG-CZ2 4.35Å; I73-W93 HydrophobicContact CG2-CH2 4.34Å; I73-W93 HydrophobicContact CG2-CZ3 4.16Å; A83-W93 HydrophobicContact CB-CE3 3.87Å; A83-W93 HydrophobicContact CB-CZ3 4.24Å; G84-W93 VanDerWaalsContact C-CG 3.47Å; G84-W93 CarbonylContact O-C 3.49Å; G84-W93 WeakPolarHBondContact O-CA 3.33Å; G84-W93 VanDerWaalsContact O-CB 3.25Å; G84-W93 WeakPolarHBondContact O-CB 3.31Å; K86-W93 VanDerWaalsContact CE-C 3.48Å; K86-W93 WeakPolarHBondContact CE-O 3.34Å; I90-W93 VanDerWaalsContact O-CD1 3.25Å; I90-W93 PolarHBondContact O-NE1 3.38Å; W93-I114 HydrophobicContact CB-CB 3.99Å; W93-I114 PolarHBondContact N-O 3.01Å; W93-I114 PolarHBondContact O-N 3.04Å; W93-F116 HydrophobicContact CB-CE2 4.24Å; W93-F116 AromaticContact CD1-CE2 3.64Å; W93-F116 AromaticContact CD2-CE2 3.74Å; W93-F116 HydrophobicContact CD2-CE2 3.74Å; W93-F116 AromaticContact CD2-CZ 4Å; W93-F116 HydrophobicContact CD2-CZ 4Å; W93-F116 AromaticContact CE2-CE2 3.77Å; W93-F116 HydrophobicContact CE3-CE2 4.41Å; W93-F116 HydrophobicContact CE3-CZ 4.25Å; W93-F116 AromaticContact CG-CE2 3.66Å; W93-F116 HydrophobicContact CG-CE2 3.66Å; W93-F116 HydrophobicContact CG-CZ 4.36Å; W93-F116 HydrophobicContact CZ2-CE2 4.45Å; W93-F116 HydrophobicContact CZ2-CZ 4.32Å; W93-F116 AromaticContact NE1-CE2 3.68Å; W93-I159 HydrophobicContact CE3-CG2 4.39Å; W93-I159 HydrophobicContact CZ3-CB 4.43Å; W93-I159 HydrophobicContact CZ3-CG1 4.4Å; W93-I159 HydrophobicContact CZ3-CG2 4.14Å
94	R	98.8	Very high	98	Very high	94 Å²	94	49 Å²	49	36%	0.355	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	142.8	161.9	-167.2	78.8	68.3	125.3	4.5	107.8	A83 G84 K86 L112 D113 R130	A83-R94 VanDerWaalsContact CA-O 3.23Å; A83-R94 WeakPolarHBondContact CA-O 3.3Å; G84-R94 PolarHBondContact N-O 3.1Å; G84-R94 PolarHBondContact O-N 3.43Å; K86-R94 HydrophobicContact CG-CB 4.13Å; R94-L112 WeakPolarHBondContact CA-O 3.43Å; R94-L112 WeakPolarHBondContact CD-O 3.38Å; R94-D113 IonicContact NE-OD1 3.83Å; R94-R130 VanDerWaalsContact NH1-NH1 3.13Å
95	S	98.8	Very high	98	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	151.1	164.7	178.2	0	0	0	0	110.8	S82 F111 L112 L163	S82-S95 CarbonylContact O-C 3.56Å; S82-S95 WeakPolarHBondContact O-CA 3.44Å; S82-S95 WeakPolarHBondContact O-CB 3.38Å; S82-S95 PolarHBondContact O-OG 3.36Å; S95-F111 WeakPolarHBondContact O-CA 3.47Å; S95-L112 PolarHBondContact N-O 2.82Å; S95-L112 PolarHBondContact O-N 2.95Å; S95-L163 VanDerWaalsContact OG-CD2 3.29Å; S95-L163 WeakPolarHBondContact OG-CD2 3.31Å
96	T	98.7	Very high	98	Very high	31 Å²	31	51.8 Å²	51.8	19%	0.19	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.2	168.6	-51.8	0	0	0	0	108.3	C81 S82 V109 F110 F111	C81-T96 CarbonylContact C-O 3.6Å; C81-T96 WeakPolarHBondContact CA-O 3.44Å; S82-T96 PolarHBondContact N-O 2.59Å; S82-T96 PolarHBondContact O-N 2.74Å; T96-V109 HydrophobicContact CG2-CG1 3.51Å; T96-F110 WeakPolarHBondContact CA-O 2.95Å; T96-F111 HydrophobicContact CG2-CD1 4.44Å; T96-F111 HydrophobicContact CG2-CE1 4.23Å
97	I	98.6	Very high	98.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.3	169.7	-65	178.8	0	0	0	107.3	F110 L112 L163 I166 L170	I97-F110 PolarHBondContact N-O 2.87Å; I97-F110 PolarHBondContact O-N 2.89Å; I97-L112 HydrophobicContact CB-CD1 4.28Å; I97-L112 HydrophobicContact CD1-CD1 3.85Å; I97-L112 HydrophobicContact CD1-CD2 4.13Å; I97-L112 HydrophobicContact CG1-CD1 3.93Å; I97-L163 HydrophobicContact CD1-CD2 4.09Å; I97-L163 HydrophobicContact CG1-CD2 4.43Å; I97-I166 HydrophobicContact CD1-CB 4.15Å; I97-I166 HydrophobicContact CD1-CG2 3.65Å; I97-L170 HydrophobicContact CG2-CD1 4.17Å
98	L	98.6	Very high	98.2	Very high	79 Å²	79	48.7 Å²	48.7	41%	0.414	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	134.9	165.1	-51	177.8	0	0	0	108.1	N80 G108 V109	N80-L98 HydrophobicContact CB-CB 4.04Å; N80-L98 PolarHBondContact O-N 3.06Å; L98-G108 WeakPolarHBondContact CA-O 3.14Å; L98-V109 HydrophobicContact CD2-CG1 4.39Å; L98-V109 HydrophobicContact CD2-CG2 3.94Å
99	G	98.5	Very high	98.3	Very high	6 Å²	6	43 Å²	43	6%	0.062	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-54.7	129.6	-180	0	0	0	0	0	111.4	Y105 G108	G99-Y105 WeakPolarHBondContact CA-O 3.37Å; G99-G108 PolarHBondContact N-O 2.92Å
100	P	98.3	Very high	98.4	Very high	12 Å²	12	39.5 Å²	39.5	8%	0.078	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-55.3	135.1	-175.5	-27.5	34.5	0	0	0	112.3	S103 L170	P100-S103 VanDerWaalsContact O-CB 3.28Å; P100-S103 WeakPolarHBondContact O-CB 3.48Å; P100-S103 PolarHBondContact O-N 2.76Å; P100-S103 VanDerWaalsContact O-N 3.13Å; P100-S103 PolarHBondContact O-OG 2.68Å; P100-L170 HydrophobicContact CG-CB 4.01Å
101	P	97.2	Very high	98.5	Very high	90 Å²	90	41.7 Å²	41.7	58%	0.584	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	139.7	174.5	-24.6	34	0	0	0	111.9	S103	P101-S103 PolarHBondContact O-N 3.43Å
102	G	96.6	Very high	98.5	Very high	75 Å²	75	39.3 Å²	39.3	77%	0.773	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	-7.8	-176.3	0	0	0	0	0	114.8	E106	G102-E106 WeakPolarHBondContact CA-OE2 3.42Å; G102-E106 PolarHBondContact N-OE2 3.47Å
103	S	98.3	Very high	98.5	Very high	19 Å²	19	36.7 Å²	36.7	13%	0.133	23%	0.225	C	C	.	.	S	Bend	trans	-87.7	167.2	177	79.4	0	0	0	0	112.3	P100 P101 Y105 E106	P100-S103 VanDerWaalsContact O-CB 3.28Å; P100-S103 WeakPolarHBondContact O-CB 3.48Å; P100-S103 PolarHBondContact O-N 2.76Å; P100-S103 VanDerWaalsContact O-N 3.13Å; P100-S103 PolarHBondContact O-OG 2.68Å; P101-S103 PolarHBondContact O-N 3.43Å; S103-Y105 PolarHBondContact O-N 2.77Å; S103-Y105 VanDerWaalsContact O-N 3.1Å; S103-Y105 PolarHBondContact OG-N 2.87Å; S103-Y105 VanDerWaalsContact OG-N 3.1Å; S103-E106 WeakPolarHBondContact O-CB 3.47Å; S103-E106 PolarHBondContact O-N 2.96Å; S103-E106 PolarHBondContact OG-N 3.34Å
104	V	98.8	Very high	98.5	Very high	15 Å²	15	36.7 Å²	36.7	9%	0.091	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-9.4	170.5	-61.7	0	0	0	0	113.5	D195 A198 R199 T202	V104-D195 HydrophobicContact CG1-CB 3.63Å; V104-D195 VanDerWaalsContact CG1-CG 3.46Å; V104-A198 HydrophobicContact CB-CB 3.79Å; V104-A198 HydrophobicContact CG1-CB 4.44Å; V104-A198 HydrophobicContact CG2-CB 3.55Å; V104-R199 HydrophobicContact CB-CG 4.04Å; V104-R199 HydrophobicContact CG1-CG 4.44Å; V104-R199 WeakPolarHBondContact O-CG 3.38Å; V104-T202 PolarHBondContact O-OG1 3.18Å; V104-T202 VanDerWaalsContact O-OG1 3.08Å
105	Y	98.8	Very high	98.5	Very high	6 Å²	6	35.1 Å²	35.1	2%	0.024	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-6	179.9	-50.2	-64.6	0	0	0	112.9	G99 S103 G107 G108 F110 I133 Y134 H135 L170 A198 T202	G99-Y105 WeakPolarHBondContact CA-O 3.37Å; S103-Y105 PolarHBondContact O-N 2.77Å; S103-Y105 VanDerWaalsContact O-N 3.1Å; S103-Y105 PolarHBondContact OG-N 2.87Å; S103-Y105 VanDerWaalsContact OG-N 3.1Å; Y105-G107 PolarHBondContact O-N 2.83Å; Y105-G108 PolarHBondContact O-N 2.9Å; Y105-F110 HydrophobicContact CD1-CZ 4.03Å; Y105-F110 HydrophobicContact CG-CZ 4.33Å; Y105-I133 HydrophobicContact CD1-CD1 3.83Å; Y105-I133 HydrophobicContact CD1-CG1 3.98Å; Y105-I133 HydrophobicContact CE1-CD1 3.7Å; Y105-I133 HydrophobicContact CE1-CG1 3.61Å; Y105-I133 HydrophobicContact CG-CD1 4.43Å; Y105-Y134 PolarHBondContact OH-O 3.43Å; Y105-H135 AromaticContact CE2-CD2 3.96Å; Y105-H135 AromaticContact CZ-CD2 3.75Å; Y105-H135 PolarHBondContact OH-CD2 2.96Å; Y105-L170 HydrophobicContact CD2-CB 3.91Å; Y105-L170 HydrophobicContact CD2-CD2 4.27Å; Y105-L170 VanDerWaalsContact CD2-O 3.24Å; Y105-L170 WeakPolarHBondContact CD2-O 3.43Å; Y105-L170 HydrophobicContact CE2-CB 4.2Å; Y105-L170 HydrophobicContact CE2-CD2 4.17Å; Y105-L170 WeakPolarHBondContact CE2-O 3.27Å; Y105-A198 HydrophobicContact CE1-CB 4.35Å; Y105-T202 WeakPolarHBondContact O-CG2 3.47Å
106	E	98.6	Very high	98.5	Very high	117 Å²	117	35.5 Å²	35.5	55%	0.547	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	137	-179.9	-176.6	176.5	167.8	0	0	112.2	G102 S103 G108	G102-E106 WeakPolarHBondContact CA-OE2 3.42Å; G102-E106 PolarHBondContact N-OE2 3.47Å; S103-E106 WeakPolarHBondContact O-CB 3.47Å; S103-E106 PolarHBondContact O-N 2.96Å; S103-E106 PolarHBondContact OG-N 3.34Å; E106-G108 PolarHBondContact O-N 2.87Å
107	G	98.3	Very high	98.5	Very high	60 Å²	60	36 Å²	36	62%	0.619	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	-10.5	-176.4	0	0	0	0	0	114.7	Y105	Y105-G107 PolarHBondContact O-N 2.83Å
108	G	98.7	Very high	98.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.01	26%	0.261	C	S	.	.			trans	-79.2	152	173.9	0	0	0	0	0	113.7	L98 G99 Y105 E106 A206	L98-G108 WeakPolarHBondContact CA-O 3.14Å; G99-G108 PolarHBondContact N-O 2.92Å; Y105-G108 PolarHBondContact O-N 2.9Å; E106-G108 PolarHBondContact O-N 2.87Å; G108-A206 CarbonylContact C-O 3.58Å; G108-A206 WeakPolarHBondContact CA-O 3.49Å
109	V	98.8	Very high	98.3	Very high	50 Å²	50	39.5 Å²	39.5	30%	0.303	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	110.6	174.4	-174.9	0	0	0	0	108.6	T96 L98 F111 A206	T96-V109 HydrophobicContact CG2-CG1 3.51Å; L98-V109 HydrophobicContact CD2-CG1 4.39Å; L98-V109 HydrophobicContact CD2-CG2 3.94Å; V109-F111 HydrophobicContact CG1-CE1 4.33Å; V109-F111 HydrophobicContact CG1-CZ 4.07Å; V109-A206 PolarHBondContact N-O 3.04Å
110	F	98.9	Very high	98.3	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	122.5	-175.7	-59.1	-87.9	0	0	0	110.5	T96 I97 Y105 L112 F129 T131 I133 T202 A206	T96-F110 WeakPolarHBondContact CA-O 2.95Å; I97-F110 PolarHBondContact N-O 2.87Å; I97-F110 PolarHBondContact O-N 2.89Å; Y105-F110 HydrophobicContact CD1-CZ 4.03Å; Y105-F110 HydrophobicContact CG-CZ 4.33Å; F110-L112 HydrophobicContact CB-CD1 4.39Å; F110-L112 WeakPolarHBondContact O-CD1 3Å; F110-F129 HydrophobicContact CB-CD1 4.27Å; F110-F129 HydrophobicContact CB-CE1 3.86Å; F110-F129 HydrophobicContact CD1-CD1 4.41Å; F110-F129 HydrophobicContact CD1-CE1 4.18Å; F110-F129 HydrophobicContact CG-CE1 4.19Å; F110-T131 HydrophobicContact CD1-CG2 3.81Å; F110-T131 HydrophobicContact CE1-CG2 4.34Å; F110-I133 HydrophobicContact CD1-CB 4.44Å; F110-I133 HydrophobicContact CD1-CD1 4.03Å; F110-I133 HydrophobicContact CD1-CG1 4.44Å; F110-I133 HydrophobicContact CE1-CB 4.15Å; F110-I133 HydrophobicContact CE1-CD1 3.7Å; F110-I133 HydrophobicContact CE1-CG1 3.85Å; F110-I133 HydrophobicContact CZ-CD1 4.2Å; F110-T202 HydrophobicContact CZ-CG2 4.2Å; F110-A206 HydrophobicContact CD1-CB 4.05Å; F110-A206 HydrophobicContact CE1-CB 3.62Å; F110-A206 HydrophobicContact CE2-CB 4.29Å; F110-A206 HydrophobicContact CZ-CB 3.76Å
111	F	98.8	Very high	98.3	Very high	85 Å²	85	39.6 Å²	39.6	37%	0.373	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	134.4	174.3	-62	-65.8	0	0	0	110.5	S95 T96 V109 R130 T131	S95-F111 WeakPolarHBondContact O-CA 3.47Å; T96-F111 HydrophobicContact CG2-CD1 4.44Å; T96-F111 HydrophobicContact CG2-CE1 4.23Å; V109-F111 HydrophobicContact CG1-CE1 4.33Å; V109-F111 HydrophobicContact CG1-CZ 4.07Å; F111-R130 HydrophobicContact CB-CB 4.22Å; F111-R130 WeakPolarHBondContact O-CB 3.32Å; F111-R130 PolarHBondContact O-N 3.37Å; F111-T131 PolarHBondContact N-OG1 3.27Å; F111-T131 PolarHBondContact O-N 2.94Å
112	L	98.9	Very high	98.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.7	174.9	-64.1	81.2	0	0	0	109.6	R94 S95 I97 F110 V127 T128 F129 I144 I166	R94-L112 WeakPolarHBondContact CA-O 3.43Å; R94-L112 WeakPolarHBondContact CD-O 3.38Å; S95-L112 PolarHBondContact N-O 2.82Å; S95-L112 PolarHBondContact O-N 2.95Å; I97-L112 HydrophobicContact CB-CD1 4.28Å; I97-L112 HydrophobicContact CD1-CD1 3.85Å; I97-L112 HydrophobicContact CD1-CD2 4.13Å; I97-L112 HydrophobicContact CG1-CD1 3.93Å; F110-L112 HydrophobicContact CB-CD1 4.39Å; F110-L112 WeakPolarHBondContact O-CD1 3Å; L112-V127 HydrophobicContact CD2-CG1 3.8Å; L112-T128 CarbonylContact C-O 3.21Å; L112-T128 VanDerWaalsContact CA-O 3.28Å; L112-T128 WeakPolarHBondContact CA-O 3.43Å; L112-F129 HydrophobicContact CD1-CD1 4.41Å; L112-F129 HydrophobicContact CD1-CE1 4.18Å; L112-F129 HydrophobicContact CD1-CZ 4.33Å; L112-F129 HydrophobicContact CD2-CD2 4.01Å; L112-F129 HydrophobicContact CD2-CE2 3.76Å; L112-F129 HydrophobicContact CD2-CZ 4.08Å; L112-F129 HydrophobicContact CG-CD1 4.33Å; L112-F129 HydrophobicContact CG-CD2 4.21Å; L112-F129 HydrophobicContact CG-CE1 4.4Å; L112-F129 HydrophobicContact CG-CE2 4.27Å; L112-F129 HydrophobicContact CG-CG 4.24Å; L112-F129 HydrophobicContact CG-CZ 4.37Å; L112-I144 HydrophobicContact CD2-CD1 4.34Å; L112-I166 HydrophobicContact CD2-CD1 4Å; L112-I166 HydrophobicContact CD2-CG2 4.45Å
113	D	98.8	Very high	98.4	Very high	28 Å²	28	44.5 Å²	44.5	15%	0.15	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.4	165.9	-75.9	-38.4	0	0	0	109	K86 R94 V127 T128 R130	K86-D113 WeakPolarHBondContact CE-OD1 3.29Å; K86-D113 IonicContact NZ-OD1 3.74Å; K86-D113 PolarHBondContact NZ-OD1 3.02Å; K86-D113 IonicContact NZ-OD2 2.77Å; R94-D113 IonicContact NE-OD1 3.83Å; D113-V127 WeakPolarHBondContact O-CA 3.28Å; D113-T128 PolarHBondContact N-O 3.09Å; D113-T128 PolarHBondContact O-N 3.2Å; D113-R130 HydrophobicContact CB-CG 4.32Å; D113-R130 VanDerWaalsContact CG-CD 3.4Å; D113-R130 WeakPolarHBondContact OD1-CD 3.39Å; D113-R130 IonicContact OD1-CZ 2.76Å; D113-R130 IonicContact OD1-NH1 3.75Å; D113-R130 PolarHBondContact OD1-NH1 3.04Å; D113-R130 WeakPolarHBondContact OD2-CD 3.35Å; D113-R130 VanDerWaalsContact OD2-CG 3.25Å; D113-R130 WeakPolarHBondContact OD2-CG 3.42Å; D113-R130 IonicContact OD2-CZ 3.14Å; D113-R130 IonicContact OD2-NE 3.56Å; D113-R130 IonicContact OD2-NH1 2.68Å; D113-R130 PolarHBondContact OD2-NH1 3.49Å; D113-R130 VanDerWaalsContact OD2-NH1 3.13Å
114	I	98.9	Very high	98.4	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.6	176.4	-56.8	171.5	0	0	0	107.5	A83 W93 F116 P125 K126 V127 I159 L163	A83-I114 HydrophobicContact CB-CD1 4.43Å; W93-I114 HydrophobicContact CB-CB 3.99Å; W93-I114 PolarHBondContact N-O 3.01Å; W93-I114 PolarHBondContact O-N 3.04Å; I114-F116 HydrophobicContact CG2-CD2 4.47Å; I114-F116 HydrophobicContact CG2-CE1 4.48Å; I114-F116 HydrophobicContact CG2-CE2 3.93Å; I114-F116 HydrophobicContact CG2-CZ 3.96Å; I114-P125 HydrophobicContact CG2-CB 4.05Å; I114-K126 CarbonylContact C-O 3.56Å; I114-K126 WeakPolarHBondContact CA-O 3.33Å; I114-V127 HydrophobicContact CG1-CG1 4.15Å; I114-V127 HydrophobicContact CG1-CG2 4.2Å; I114-V127 HydrophobicContact CG2-CG2 4.33Å; I114-I159 HydrophobicContact CD1-CG2 3.95Å; I114-I159 HydrophobicContact CG2-CD1 3.98Å; I114-L163 HydrophobicContact CD1-CD2 4.39Å
115	T	98.8	Very high	98.4	Very high	60 Å²	60	45 Å²	45	37%	0.368	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.9	177.4	-55.5	0	0	0	0	109.8	Y91 P125 K126	Y91-T115 WeakPolarHBondContact O-CA 3.29Å; T115-P125 WeakPolarHBondContact O-CA 3.38Å; T115-K126 PolarHBondContact N-O 2.92Å; T115-K126 PolarHBondContact O-N 3.25Å
116	F	98.6	Very high	98.4	Very high	9 Å²	9	51.6 Å²	51.6	4%	0.039	28%	0.28	C	S	.	.			trans	-92.8	144.6	174.9	-54.8	-94.2	0	0	0	109.7	I66 Y91 W93 I114 Y120 P125 I159	I66-F116 HydrophobicContact CD1-CB 3.67Å; I66-F116 HydrophobicContact CD1-CD1 4.05Å; I66-F116 HydrophobicContact CD1-CD2 4.13Å; I66-F116 HydrophobicContact CD1-CG 3.71Å; I66-F116 HydrophobicContact CG1-CD1 3.95Å; I66-F116 HydrophobicContact CG1-CD2 4.47Å; I66-F116 HydrophobicContact CG1-CE1 4.19Å; I66-F116 HydrophobicContact CG1-CG 4.08Å; I66-F116 HydrophobicContact CG2-CE2 4.3Å; I66-F116 HydrophobicContact CG2-CZ 4.4Å; Y91-F116 HydrophobicContact CD1-CB 3.79Å; Y91-F116 WeakPolarHBondContact O-CD2 3.29Å; Y91-F116 PolarHBondContact O-N 2.74Å; W93-F116 HydrophobicContact CB-CE2 4.24Å; W93-F116 AromaticContact CD1-CE2 3.64Å; W93-F116 AromaticContact CD2-CE2 3.74Å; W93-F116 HydrophobicContact CD2-CE2 3.74Å; W93-F116 AromaticContact CD2-CZ 4Å; W93-F116 HydrophobicContact CD2-CZ 4Å; W93-F116 AromaticContact CE2-CE2 3.77Å; W93-F116 HydrophobicContact CE3-CE2 4.41Å; W93-F116 HydrophobicContact CE3-CZ 4.25Å; W93-F116 AromaticContact CG-CE2 3.66Å; W93-F116 HydrophobicContact CG-CE2 3.66Å; W93-F116 HydrophobicContact CG-CZ 4.36Å; W93-F116 HydrophobicContact CZ2-CE2 4.45Å; W93-F116 HydrophobicContact CZ2-CZ 4.32Å; W93-F116 AromaticContact NE1-CE2 3.68Å; I114-F116 HydrophobicContact CG2-CD2 4.47Å; I114-F116 HydrophobicContact CG2-CE1 4.48Å; I114-F116 HydrophobicContact CG2-CE2 3.93Å; I114-F116 HydrophobicContact CG2-CZ 3.96Å; F116-Y120 AromaticContact CD1-CD1 3.87Å; F116-Y120 HydrophobicContact CD1-CD1 3.87Å; F116-Y120 AromaticContact CD1-CD2 3.77Å; F116-Y120 HydrophobicContact CD1-CD2 3.77Å; F116-Y120 AromaticContact CD1-CE1 3.97Å; F116-Y120 HydrophobicContact CD1-CE1 3.97Å; F116-Y120 AromaticContact CD1-CE2 3.9Å; F116-Y120 HydrophobicContact CD1-CE2 3.9Å; F116-Y120 AromaticContact CD1-CG 3.76Å; F116-Y120 HydrophobicContact CD1-CG 3.76Å; F116-Y120 HydrophobicContact CE1-CD1 4.35Å; F116-Y120 HydrophobicContact CE1-CD2 4.43Å; F116-Y120 AromaticContact CE1-CE1 3.99Å; F116-Y120 HydrophobicContact CE1-CE1 3.99Å; F116-Y120 HydrophobicContact CE1-CE2 4.1Å; F116-Y120 AromaticContact CE1-CZ 3.87Å; F116-P125 HydrophobicContact CD1-CB 4.07Å; F116-P125 HydrophobicContact CE1-CB 4.32Å; F116-I159 HydrophobicContact CE1-CD1 3.56Å; F116-I159 HydrophobicContact CE1-CG1 3.66Å; F116-I159 HydrophobicContact CZ-CD1 3.74Å; F116-I159 HydrophobicContact CZ-CG1 3.61Å
117	S	97.9	Very high	98.4	Very high	43 Å²	43	46.4 Å²	46.4	30%	0.301	26%	0.256	S	S	.	.			trans	-92	168.3	167.7	69.9	0	0	0	0	110.9	D119 Y120	S117-D119 PolarHBondContact O-N 2.65Å; S117-D119 VanDerWaalsContact O-N 3.15Å; S117-D119 PolarHBondContact OG-N 2.92Å; S117-Y120 WeakPolarHBondContact O-CB 3.44Å; S117-Y120 PolarHBondContact O-N 3.13Å
118	S	97.1	Very high	98.4	Very high	86 Å²	86	44.9 Å²	44.9	60%	0.601	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-23.8	171.6	52.6	0	0	0	0	113.3	S62 Y120	S62-S118 VanDerWaalsContact CB-O 3.29Å; S62-S118 WeakPolarHBondContact CB-O 3.38Å; S62-S118 PolarHBondContact OG-O 2.85Å; S118-Y120 VanDerWaalsContact C-N 3.34Å
119	D	97.5	Very high	98.4	Very high	66 Å²	66	45.2 Å²	45.2	35%	0.353	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-1.1	-176.4	-57.9	-22.3	0	0	0	112.8	S117 F122 K123	S117-D119 PolarHBondContact O-N 2.65Å; S117-D119 VanDerWaalsContact O-N 3.15Å; S117-D119 PolarHBondContact OG-N 2.92Å; D119-F122 WeakPolarHBondContact O-CA 3.33Å; D119-F122 WeakPolarHBondContact O-CB 3.39Å; D119-F122 PolarHBondContact O-N 3.07Å; D119-K123 HydrophobicContact CB-CB 4.23Å; D119-K123 HydrophobicContact CB-CD 3.92Å; D119-K123 HydrophobicContact CB-CG 4Å; D119-K123 PolarHBondContact O-N 3.17Å; D119-K123 WeakPolarHBondContact OD2-CD 3.37Å; D119-K123 VanDerWaalsContact OD2-CE 3.31Å; D119-K123 WeakPolarHBondContact OD2-CE 3.42Å; D119-K123 IonicContact OD2-NZ 3.94Å; D119-K123 PolarHBondContact OD2-NZ 3.33Å
120	Y	98.4	Very high	98.4	Very high	3 Å²	3	48.7 Å²	48.7	1%	0.012	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	133.2	175.5	-171.8	-101.3	0	0	0	110.7	S62 R65 I66 E69 F116 S117 S118 P125 W153	S62-Y120 WeakPolarHBondContact CA-O 3.27Å; S62-Y120 WeakPolarHBondContact CB-O 3.41Å; R65-Y120 HydrophobicContact CG-CD1 3.95Å; R65-Y120 HydrophobicContact CG-CE1 3.67Å; I66-Y120 HydrophobicContact CD1-CD1 4.33Å; I66-Y120 HydrophobicContact CG1-CD1 3.73Å; I66-Y120 HydrophobicContact CG1-CE1 4.08Å; E69-Y120 VanDerWaalsContact CD-OH 3.26Å; E69-Y120 VanDerWaalsContact OE1-CE1 3.29Å; E69-Y120 WeakPolarHBondContact OE1-CE1 3.47Å; E69-Y120 PolarHBondContact OE1-OH 3.33Å; E69-Y120 PolarHBondContact OE2-OH 3.4Å; F116-Y120 AromaticContact CD1-CD1 3.87Å; F116-Y120 HydrophobicContact CD1-CD1 3.87Å; F116-Y120 AromaticContact CD1-CD2 3.77Å; F116-Y120 HydrophobicContact CD1-CD2 3.77Å; F116-Y120 AromaticContact CD1-CE1 3.97Å; F116-Y120 HydrophobicContact CD1-CE1 3.97Å; F116-Y120 AromaticContact CD1-CE2 3.9Å; F116-Y120 HydrophobicContact CD1-CE2 3.9Å; F116-Y120 AromaticContact CD1-CG 3.76Å; F116-Y120 HydrophobicContact CD1-CG 3.76Å; F116-Y120 HydrophobicContact CE1-CD1 4.35Å; F116-Y120 HydrophobicContact CE1-CD2 4.43Å; F116-Y120 AromaticContact CE1-CE1 3.99Å; F116-Y120 HydrophobicContact CE1-CE1 3.99Å; F116-Y120 HydrophobicContact CE1-CE2 4.1Å; F116-Y120 AromaticContact CE1-CZ 3.87Å; S117-Y120 WeakPolarHBondContact O-CB 3.44Å; S117-Y120 PolarHBondContact O-N 3.13Å; S118-Y120 VanDerWaalsContact C-N 3.34Å; Y120-P125 HydrophobicContact CE2-CG 4.36Å; Y120-W153 HydrophobicContact CD2-CZ2 4.2Å; Y120-W153 AromaticContact CE2-CH2 3.69Å; Y120-W153 HydrophobicContact CE2-CH2 3.69Å; Y120-W153 AromaticContact CE2-CZ2 3.58Å; Y120-W153 HydrophobicContact CE2-CZ2 3.58Å
121	P	97.9	Very high	98.4	Very high	16 Å²	16	49.3 Å²	49.3	10%	0.104	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97.5	14	11.6	39.4	-37.1	0	0	0	114.8	R65 K123 W153 P155	R65-P121 HydrophobicContact CG-CB 4.31Å; R65-P121 HydrophobicContact CG-CG 4.18Å; P121-K123 VanDerWaalsContact C-N 3.35Å; P121-W153 HydrophobicContact CB-CZ2 4.48Å; P121-W153 PolarHBondContact O-NE1 3.39Å; P121-P155 HydrophobicContact CB-CB 4.27Å; P121-P155 HydrophobicContact CG-CB 4.15Å; P121-P155 VanDerWaalsContact O-CA 3.31Å; P121-P155 WeakPolarHBondContact O-CA 3.42Å; P121-P155 WeakPolarHBondContact O-CB 3.45Å
122	F	97.8	Very high	98.4	Very high	156 Å²	156	52.8 Å²	52.8	68%	0.684	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-22.1	-179.5	-57.6	-73.3	0	0	0	113.2	D119 P155	D119-F122 WeakPolarHBondContact O-CA 3.33Å; D119-F122 WeakPolarHBondContact O-CB 3.39Å; D119-F122 PolarHBondContact O-N 3.07Å; F122-P155 HydrophobicContact CD1-CB 4.43Å; F122-P155 HydrophobicContact CD1-CG 3.93Å; F122-P155 HydrophobicContact CE1-CG 4.46Å
123	K	97.9	Very high	98.4	Very high	113 Å²	113	53.5 Å²	53.5	49%	0.491	26%	0.262	S	S	.	.	S	Bend	trans	-112.3	146.4	165.7	-69.5	-175.7	-177.9	157.7	0	110.6	D119 P121	D119-K123 HydrophobicContact CB-CB 4.23Å; D119-K123 HydrophobicContact CB-CD 3.92Å; D119-K123 HydrophobicContact CB-CG 4Å; D119-K123 PolarHBondContact O-N 3.17Å; D119-K123 WeakPolarHBondContact OD2-CD 3.37Å; D119-K123 VanDerWaalsContact OD2-CE 3.31Å; D119-K123 WeakPolarHBondContact OD2-CE 3.42Å; D119-K123 IonicContact OD2-NZ 3.94Å; D119-K123 PolarHBondContact OD2-NZ 3.33Å; P121-K123 VanDerWaalsContact C-N 3.35Å
124	P	98.3	Very high	98.4	Very high	41 Å²	41	53.6 Å²	53.6	27%	0.266	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-62.6	152.9	176.4	25.1	-32.4	0	0	0	111.4	L149 W153	P124-L149 WeakPolarHBondContact CG-O 3.5Å; P124-W153 HydrophobicContact CB-CB 3.96Å; P124-W153 HydrophobicContact CB-CD2 3.58Å; P124-W153 HydrophobicContact CB-CE3 3.81Å; P124-W153 HydrophobicContact CB-CG 3.64Å; P124-W153 HydrophobicContact CG-CB 4.11Å; P124-W153 HydrophobicContact CG-CG 4.07Å
125	P	98.4	Very high	98.4	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.019	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-71	148.9	167.2	32.7	-32.3	0	0	0	109.5	I114 T115 F116 Y120 V127 W153 I159	I114-P125 HydrophobicContact CG2-CB 4.05Å; T115-P125 WeakPolarHBondContact O-CA 3.38Å; F116-P125 HydrophobicContact CD1-CB 4.07Å; F116-P125 HydrophobicContact CE1-CB 4.32Å; Y120-P125 HydrophobicContact CE2-CG 4.36Å; P125-V127 HydrophobicContact CG-CG2 4.26Å; P125-W153 HydrophobicContact CG-CH2 4.46Å; P125-W153 HydrophobicContact CG-CZ3 4.5Å; P125-I159 HydrophobicContact CB-CD1 4.21Å; P125-I159 HydrophobicContact CG-CD1 3.74Å
126	K	98.6	Very high	98.3	Very high	144 Å²	144	50.8 Å²	50.8	63%	0.626	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.6	168.3	-177.9	-179.5	177.8	-177.4	0	108.4	I114 T115 T128	I114-K126 CarbonylContact C-O 3.56Å; I114-K126 WeakPolarHBondContact CA-O 3.33Å; T115-K126 PolarHBondContact N-O 2.92Å; T115-K126 PolarHBondContact O-N 3.25Å; K126-T128 HydrophobicContact CG-CG2 4.45Å
127	V	98.8	Very high	98.3	Very high	8 Å²	8	50.4 Å²	50.4	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.5	177.2	-172.6	0	0	0	0	109.6	L112 D113 I114 P125 I144 L149 V162 I166	L112-V127 HydrophobicContact CD2-CG1 3.8Å; D113-V127 WeakPolarHBondContact O-CA 3.28Å; I114-V127 HydrophobicContact CG1-CG1 4.15Å; I114-V127 HydrophobicContact CG1-CG2 4.2Å; I114-V127 HydrophobicContact CG2-CG2 4.33Å; P125-V127 HydrophobicContact CG-CG2 4.26Å; V127-I144 HydrophobicContact CB-CD1 4.37Å; V127-I144 HydrophobicContact CG1-CD1 3.96Å; V127-L149 HydrophobicContact CB-CD1 4.05Å; V127-L149 HydrophobicContact CG2-CD1 4.35Å; V127-L149 HydrophobicContact CG2-CD2 4.04Å; V127-V162 HydrophobicContact CG2-CG1 4.17Å; V127-I166 HydrophobicContact CG1-CD1 3.87Å
128	T	98.7	Very high	98.4	Very high	29 Å²	29	48.4 Å²	48.4	18%	0.178	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	139.6	179.7	51.8	0	0	0	0	111.7	L112 D113 K126 G142	L112-T128 CarbonylContact C-O 3.21Å; L112-T128 VanDerWaalsContact CA-O 3.28Å; L112-T128 WeakPolarHBondContact CA-O 3.43Å; D113-T128 PolarHBondContact N-O 3.09Å; D113-T128 PolarHBondContact O-N 3.2Å; K126-T128 HydrophobicContact CG-CG2 4.45Å; T128-G142 CarbonylContact C-O 3.39Å; T128-G142 VanDerWaalsContact CA-O 3.26Å; T128-G142 WeakPolarHBondContact CA-O 3.28Å
129	F	98.8	Very high	98.4	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.035	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	132.4	169.2	-83.6	-105.7	0	0	0	110.6	F110 L112 I133 I138 G142 I144 I166 L170	F110-F129 HydrophobicContact CB-CD1 4.27Å; F110-F129 HydrophobicContact CB-CE1 3.86Å; F110-F129 HydrophobicContact CD1-CD1 4.41Å; F110-F129 HydrophobicContact CD1-CE1 4.18Å; F110-F129 HydrophobicContact CG-CE1 4.19Å; L112-F129 HydrophobicContact CD1-CD1 4.41Å; L112-F129 HydrophobicContact CD1-CE1 4.18Å; L112-F129 HydrophobicContact CD1-CZ 4.33Å; L112-F129 HydrophobicContact CD2-CD2 4.01Å; L112-F129 HydrophobicContact CD2-CE2 3.76Å; L112-F129 HydrophobicContact CD2-CZ 4.08Å; L112-F129 HydrophobicContact CG-CD1 4.33Å; L112-F129 HydrophobicContact CG-CD2 4.21Å; L112-F129 HydrophobicContact CG-CE1 4.4Å; L112-F129 HydrophobicContact CG-CE2 4.27Å; L112-F129 HydrophobicContact CG-CG 4.24Å; L112-F129 HydrophobicContact CG-CZ 4.37Å; F129-I133 HydrophobicContact CD1-CG2 4.18Å; F129-I133 HydrophobicContact CE1-CD1 4.08Å; F129-I133 HydrophobicContact CG-CG2 4.46Å; F129-I138 HydrophobicContact CB-CG2 4.25Å; F129-I138 HydrophobicContact CD2-CD1 3.83Å; F129-I138 HydrophobicContact CD2-CG1 4.38Å; F129-I138 HydrophobicContact CD2-CG2 4Å; F129-I138 HydrophobicContact CE1-CD1 4.29Å; F129-I138 HydrophobicContact CE2-CD1 3.44Å; F129-I138 VanDerWaalsContact CE2-CD1 3.44Å; F129-I138 HydrophobicContact CE2-CG1 4.28Å; F129-I138 HydrophobicContact CG-CD1 4.41Å; F129-I138 HydrophobicContact CG-CG2 4.2Å; F129-I138 HydrophobicContact CZ-CD1 3.7Å; F129-G142 PolarHBondContact N-O 2.81Å; F129-G142 WeakPolarHBondContact O-CA 3.43Å; F129-I144 HydrophobicContact CD2-CD1 3.66Å; F129-I144 HydrophobicContact CD2-CG1 3.73Å; F129-I144 HydrophobicContact CE2-CD1 3.61Å; F129-I144 HydrophobicContact CE2-CG1 3.95Å; F129-I166 HydrophobicContact CE2-CG2 3.95Å; F129-I166 HydrophobicContact CZ-CG2 3.88Å; F129-L170 HydrophobicContact CZ-CD1 4.43Å; F129-L170 HydrophobicContact CZ-CD2 4.21Å
130	R	98.6	Very high	98.4	Very high	122 Å²	122	48.7 Å²	48.7	46%	0.46	23%	0.231	S	C	.	.			trans	-92.1	-41.1	165.4	-59.6	-177.5	74.5	132.9	-5.7	111.2	R94 F111 D113	R94-R130 VanDerWaalsContact NH1-NH1 3.13Å; F111-R130 HydrophobicContact CB-CB 4.22Å; F111-R130 WeakPolarHBondContact O-CB 3.32Å; F111-R130 PolarHBondContact O-N 3.37Å; D113-R130 HydrophobicContact CB-CG 4.32Å; D113-R130 VanDerWaalsContact CG-CD 3.4Å; D113-R130 WeakPolarHBondContact OD1-CD 3.39Å; D113-R130 IonicContact OD1-CZ 2.76Å; D113-R130 IonicContact OD1-NH1 3.75Å; D113-R130 PolarHBondContact OD1-NH1 3.04Å; D113-R130 WeakPolarHBondContact OD2-CD 3.35Å; D113-R130 VanDerWaalsContact OD2-CG 3.25Å; D113-R130 WeakPolarHBondContact OD2-CG 3.42Å; D113-R130 IonicContact OD2-CZ 3.14Å; D113-R130 IonicContact OD2-NE 3.56Å; D113-R130 IonicContact OD2-NH1 2.68Å; D113-R130 PolarHBondContact OD2-NH1 3.49Å; D113-R130 VanDerWaalsContact OD2-NH1 3.13Å
131	T	98.8	Very high	98.4	Very high	14 Å²	14	55.4 Å²	55.4	9%	0.086	26%	0.262	C	S	.	.	S	Bend	trans	-70.5	129.8	175.9	-59.1	0	0	0	0	108.9	F110 F111 Y205 A206	F110-T131 HydrophobicContact CD1-CG2 3.81Å; F110-T131 HydrophobicContact CE1-CG2 4.34Å; F111-T131 PolarHBondContact N-OG1 3.27Å; F111-T131 PolarHBondContact O-N 2.94Å; T131-Y205 VanDerWaalsContact CG2-O 3.29Å; T131-Y205 WeakPolarHBondContact CG2-O 3.38Å; T131-A206 HydrophobicContact CG2-CB 3.81Å
132	R	98.6	Very high	98.4	Very high	159 Å²	159	54.9 Å²	54.9	60%	0.6	26%	0.26	S	S	*	.			trans	-64.1	137.3	175.3	-65.7	-177.7	-177.4	178.4	1.4	109.7	W201 Y205	R132-W201 HydrophobicContact CB-CE3 4.44Å; R132-W201 HydrophobicContact CB-CZ3 4.19Å; R132-Y205 HydrophobicContact CB-CD2 4.18Å; R132-Y205 HydrophobicContact CB-CG 4.05Å
133	I	98.8	Very high	98.5	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.077	25%	0.246	C	C	.	.			trans	-140.6	146.8	-178.4	-168.4	170.4	0	0	0	110	Y105 F110 F129 H135 I138 L170	Y105-I133 HydrophobicContact CD1-CD1 3.83Å; Y105-I133 HydrophobicContact CD1-CG1 3.98Å; Y105-I133 HydrophobicContact CE1-CD1 3.7Å; Y105-I133 HydrophobicContact CE1-CG1 3.61Å; Y105-I133 HydrophobicContact CG-CD1 4.43Å; F110-I133 HydrophobicContact CD1-CB 4.44Å; F110-I133 HydrophobicContact CD1-CD1 4.03Å; F110-I133 HydrophobicContact CD1-CG1 4.44Å; F110-I133 HydrophobicContact CE1-CB 4.15Å; F110-I133 HydrophobicContact CE1-CD1 3.7Å; F110-I133 HydrophobicContact CE1-CG1 3.85Å; F110-I133 HydrophobicContact CZ-CD1 4.2Å; F129-I133 HydrophobicContact CD1-CG2 4.18Å; F129-I133 HydrophobicContact CE1-CD1 4.08Å; F129-I133 HydrophobicContact CG-CG2 4.46Å; I133-H135 HydrophobicContact CD1-CB 4.47Å; I133-H135 HydrophobicContact CG1-CB 4.28Å; I133-H135 HydrophobicContact CG2-CB 4.35Å; I133-I138 HydrophobicContact CD1-CD1 4.23Å; I133-I138 HydrophobicContact CG2-CB 3.93Å; I133-I138 HydrophobicContact CG2-CD1 3.82Å; I133-I138 HydrophobicContact CG2-CG1 4.49Å; I133-I138 HydrophobicContact CG2-CG2 3.68Å; I133-L170 HydrophobicContact CD1-CD2 3.54Å
134	Y	98.8	Very high	98.5	Very high	30 Å²	30	45.5 Å²	45.5	12%	0.118	22%	0.224	C	C	.	.			trans	-97.6	93.2	174.6	-167.9	-96.6	0	0	0	109	Y105 I183 Q186 H194 I197 A198 W201	Y105-Y134 PolarHBondContact OH-O 3.43Å; Y134-I183 HydrophobicContact CD1-CD1 4.43Å; Y134-I183 HydrophobicContact CD1-CG2 4.1Å; Y134-I183 HydrophobicContact CD2-CD1 3.83Å; Y134-I183 HydrophobicContact CD2-CG1 4.4Å; Y134-I183 HydrophobicContact CE1-CB 4.44Å; Y134-I183 HydrophobicContact CE1-CD1 4.34Å; Y134-I183 HydrophobicContact CE1-CG1 4.15Å; Y134-I183 HydrophobicContact CE1-CG2 3.68Å; Y134-I183 HydrophobicContact CE2-CD1 3.7Å; Y134-I183 HydrophobicContact CE2-CG1 3.78Å; Y134-I183 HydrophobicContact CG-CD1 4.19Å; Y134-Q186 PolarHBondContact OH-OE1 3.5Å; Y134-H194 AromaticContact CE1-CD2 3.78Å; Y134-I197 HydrophobicContact CD1-CB 4.4Å; Y134-I197 HydrophobicContact CD1-CG2 3.92Å; Y134-I197 HydrophobicContact CD2-CG2 3.76Å; Y134-I197 HydrophobicContact CE1-CB 4.2Å; Y134-I197 HydrophobicContact CE1-CG2 3.87Å; Y134-I197 HydrophobicContact CE2-CG2 3.73Å; Y134-I197 HydrophobicContact CG-CG2 3.85Å; Y134-A198 HydrophobicContact CD1-CB 4.17Å; Y134-W201 HydrophobicContact CD2-CD2 4.15Å; Y134-W201 AromaticContact CD2-CE2 3.89Å; Y134-W201 HydrophobicContact CD2-CZ2 4.14Å; Y134-W201 HydrophobicContact CG-CD2 4.42Å; Y134-W201 HydrophobicContact CG-CG 4.47Å
135	H	98.8	Very high	98.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-149.3	137.4	-173.5	-170.9	-72.6	0	0	0	110.3	Y105 I133 N137 I138 L169	Y105-H135 AromaticContact CE2-CD2 3.96Å; Y105-H135 AromaticContact CZ-CD2 3.75Å; Y105-H135 PolarHBondContact OH-CD2 2.96Å; I133-H135 HydrophobicContact CD1-CB 4.47Å; I133-H135 HydrophobicContact CG1-CB 4.28Å; I133-H135 HydrophobicContact CG2-CB 4.35Å; H135-N137 PolarHBondContact CE1-OD1 3.18Å; H135-N137 VanDerWaalsContact CE1-OD1 3.24Å; H135-N137 PolarHBondContact ND1-N 3.25Å; H135-N137 PolarHBondContact O-N 2.91Å; H135-I138 HydrophobicContact CB-CB 4.12Å; H135-I138 HydrophobicContact CB-CD1 3.99Å; H135-I138 HydrophobicContact CB-CG1 4.2Å; H135-I138 PolarHBondContact O-N 2.95Å; H135-L169 PolarHBondContact NE2-O 3.15Å; H135-L169 VanDerWaalsContact NE2-O 3.09Å
136	C	98.4	Very high	98.2	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-30.8	-174.2	62.1	0	0	0	0	113.9	C173 P178 L179 V180 I183 A184	C136-C173 VanDerWaalsContact SG-SG 3.68Å; C136-P178 HydrophobicContact CB-CB 4.19Å; C136-L179 PolarHBondContact O-N 3.38Å; C136-V180 PolarHBondContact O-N 3.38Å; C136-I183 HydrophobicContact CB-CB 4.09Å; C136-I183 HydrophobicContact CB-CG2 3.92Å; C136-A184 HydrophobicContact CB-CB 3.87Å
137	N	98.6	Very high	98	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	6	175	-47.2	102.6	0	0	0	114.6	H135 C145 L169 N174 D177 L179	H135-N137 PolarHBondContact CE1-OD1 3.18Å; H135-N137 VanDerWaalsContact CE1-OD1 3.24Å; H135-N137 PolarHBondContact ND1-N 3.25Å; H135-N137 PolarHBondContact O-N 2.91Å; N137-C145 HydrophobicContact CB-CB 4.4Å; N137-C145 PolarHBondContact O-N 3.43Å; N137-L169 HydrophobicContact CB-CD1 4.32Å; N137-L169 HydrophobicContact CB-CD2 4.16Å; N137-N174 PolarHBondContact ND2-O 3.03Å; N137-N174 PolarHBondContact OD1-N 2.84Å; N137-D177 PolarHBondContact ND2-O 3.13Å; N137-L179 WeakPolarHBondContact O-CD1 3.36Å
138	I	98.8	Very high	97.8	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-128.1	118.6	177.6	-53.3	165.7	0	0	0	108.8	F129 I133 H135 V143 I144 L170	F129-I138 HydrophobicContact CB-CG2 4.25Å; F129-I138 HydrophobicContact CD2-CD1 3.83Å; F129-I138 HydrophobicContact CD2-CG1 4.38Å; F129-I138 HydrophobicContact CD2-CG2 4Å; F129-I138 HydrophobicContact CE1-CD1 4.29Å; F129-I138 HydrophobicContact CE2-CD1 3.44Å; F129-I138 VanDerWaalsContact CE2-CD1 3.44Å; F129-I138 HydrophobicContact CE2-CG1 4.28Å; F129-I138 HydrophobicContact CG-CD1 4.41Å; F129-I138 HydrophobicContact CG-CG2 4.2Å; F129-I138 HydrophobicContact CZ-CD1 3.7Å; I133-I138 HydrophobicContact CD1-CD1 4.23Å; I133-I138 HydrophobicContact CG2-CB 3.93Å; I133-I138 HydrophobicContact CG2-CD1 3.82Å; I133-I138 HydrophobicContact CG2-CG1 4.49Å; I133-I138 HydrophobicContact CG2-CG2 3.68Å; H135-I138 HydrophobicContact CB-CB 4.12Å; H135-I138 HydrophobicContact CB-CD1 3.99Å; H135-I138 HydrophobicContact CB-CG1 4.2Å; H135-I138 PolarHBondContact O-N 2.95Å; I138-V143 VanDerWaalsContact CA-O 3.3Å; I138-V143 WeakPolarHBondContact CA-O 3.2Å; I138-I144 HydrophobicContact CG1-CG1 4.44Å; I138-I144 HydrophobicContact CG1-CG2 4.45Å; I138-L170 HydrophobicContact CD1-CD2 4.03Å
139	N	98.2	Very high	97.7	Very high	48 Å²	48	42.2 Å²	42.2	26%	0.257	21%	0.21	S	C	.	.			trans	-84.8	178.2	-177	76.2	11.5	0	0	0	113.1	Q141 G142 V143 L179 V180	N139-Q141 PolarHBondContact O-N 3.35Å; N139-Q141 VanDerWaalsContact O-N 3.14Å; N139-Q141 WeakPolarHBondContact OD1-CA 3.25Å; N139-Q141 PolarHBondContact OD1-N 2.79Å; N139-G142 WeakPolarHBondContact O-CA 3.41Å; N139-G142 PolarHBondContact O-N 3.48Å; N139-G142 PolarHBondContact OD1-N 2.78Å; N139-V143 PolarHBondContact N-O 3.16Å; N139-V143 WeakPolarHBondContact OD1-CB 3.36Å; N139-V143 PolarHBondContact OD1-N 2.71Å; N139-L179 HydrophobicContact CB-CB 4.15Å; N139-L179 HydrophobicContact CB-CD1 4.36Å; N139-V180 HydrophobicContact CB-CG2 4.12Å
140	S	97.4	Very high	97.3	Very high	109 Å²	109	46.8 Å²	46.8	76%	0.762	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.1	-178.4	60.6	0	0	0	0	114.9
141	Q	98	Very high	97	Very high	144 Å²	144	48.3 Å²	48.3	67%	0.673	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	4.2	173.9	-55.3	-55.4	-53.8	0	0	112.3	N139 V143	N139-Q141 PolarHBondContact O-N 3.35Å; N139-Q141 VanDerWaalsContact O-N 3.14Å; N139-Q141 WeakPolarHBondContact OD1-CA 3.25Å; N139-Q141 PolarHBondContact OD1-N 2.79Å; Q141-V143 VanDerWaalsContact C-N 3.28Å; Q141-V143 HydrophobicContact CB-CG2 4.4Å; Q141-V143 PolarHBondContact O-N 2.93Å
142	G	98.3	Very high	96.9	Very high	6 Å²	6	52.3 Å²	52.3	6%	0.062	27%	0.268	C	S	.	.			trans	75.5	10.9	-179.4	0	0	0	0	0	114.8	T128 F129 N139	T128-G142 CarbonylContact C-O 3.39Å; T128-G142 VanDerWaalsContact CA-O 3.26Å; T128-G142 WeakPolarHBondContact CA-O 3.28Å; F129-G142 PolarHBondContact N-O 2.81Å; F129-G142 WeakPolarHBondContact O-CA 3.43Å; N139-G142 WeakPolarHBondContact O-CA 3.41Å; N139-G142 PolarHBondContact O-N 3.48Å; N139-G142 PolarHBondContact OD1-N 2.78Å
143	V	98.3	Very high	96.8	Very high	63 Å²	63	46.1 Å²	46.1	38%	0.382	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-68.1	135.6	173.6	-179.5	0	0	0	0	108.8	I138 N139 Q141 L179	I138-V143 VanDerWaalsContact CA-O 3.3Å; I138-V143 WeakPolarHBondContact CA-O 3.2Å; N139-V143 PolarHBondContact N-O 3.16Å; N139-V143 WeakPolarHBondContact OD1-CB 3.36Å; N139-V143 PolarHBondContact OD1-N 2.71Å; Q141-V143 VanDerWaalsContact C-N 3.28Å; Q141-V143 HydrophobicContact CB-CG2 4.4Å; Q141-V143 PolarHBondContact O-N 2.93Å; V143-L179 HydrophobicContact CB-CD1 4.42Å; V143-L179 HydrophobicContact CG1-CD1 4.23Å; V143-L179 WeakPolarHBondContact O-CD1 3.42Å
144	I	98.3	Very high	96.8	Very high	8 Å²	8	47.8 Å²	47.8	4%	0.041	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-104.9	130.5	-177.6	-49.6	170.9	0	0	0	108.7	L112 V127 F129 I138 L146 I166 L169	L112-I144 HydrophobicContact CD2-CD1 4.34Å; V127-I144 HydrophobicContact CB-CD1 4.37Å; V127-I144 HydrophobicContact CG1-CD1 3.96Å; F129-I144 HydrophobicContact CD2-CD1 3.66Å; F129-I144 HydrophobicContact CD2-CG1 3.73Å; F129-I144 HydrophobicContact CE2-CD1 3.61Å; F129-I144 HydrophobicContact CE2-CG1 3.95Å; I138-I144 HydrophobicContact CG1-CG1 4.44Å; I138-I144 HydrophobicContact CG1-CG2 4.45Å; I144-L146 HydrophobicContact CG2-CB 3.92Å; I144-L146 PolarHBondContact O-N 3.26Å; I144-I166 HydrophobicContact CD1-CD1 3.87Å; I144-I166 HydrophobicContact CD1-CG1 4.32Å; I144-L169 HydrophobicContact CG2-CD2 3.87Å
145	C	96.3	Very high	96.7	Very high	12 Å²	12	48.8 Å²	48.8	8%	0.081	27%	0.268	C	S	.	.			trans	-88.8	101.1	162.3	-159.6	0	0	0	0	108.9	N137 K150 D177 L179	N137-C145 HydrophobicContact CB-CB 4.4Å; N137-C145 PolarHBondContact O-N 3.43Å; C145-K150 PolarHBondContact SG-NZ 3.13Å; C145-D177 PolarHBondContact SG-OD2 3.02Å; C145-L179 HydrophobicContact CB-CD1 3.94Å; C145-L179 HydrophobicContact CB-CD2 3.88Å; C145-L179 HydrophobicContact CB-CG 3.64Å
146	L	94.9	Very high	96.7	Very high	19 Å²	19	52 Å²	52	10%	0.099	30%	0.295	C	S	.	.			trans	-141.2	123.9	174.5	-176.7	64.8	0	0	0	106.7	I144 I148 L149 I166	I144-L146 HydrophobicContact CG2-CB 3.92Å; I144-L146 PolarHBondContact O-N 3.26Å; L146-I148 VanDerWaalsContact C-N 3.31Å; L146-I148 HydrophobicContact CD1-CG1 4.4Å; L146-I148 HydrophobicContact CD2-CD1 3.99Å; L146-I148 HydrophobicContact CD2-CG1 3.67Å; L146-I148 HydrophobicContact CG-CD1 4.47Å; L146-I148 HydrophobicContact CG-CG1 3.66Å; L146-I148 PolarHBondContact O-N 3.32Å; L146-L149 HydrophobicContact CB-CD1 4.21Å; L146-L149 HydrophobicContact CB-CG 4.37Å; L146-L149 HydrophobicContact CD2-CD1 4.25Å; L146-L149 HydrophobicContact CD2-CG 4.28Å; L146-L149 WeakPolarHBondContact O-CB 3.08Å; L146-L149 PolarHBondContact O-N 2.78Å; L146-I166 HydrophobicContact CD2-CG1 3.96Å
147	D	92.9	Very high	96.7	Very high	80 Å²	80	53.4 Å²	53.4	43%	0.428	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-61	-37.2	-171.5	66.3	-32.5	0	0	0	113	L149 K150 D151 N152	D147-L149 PolarHBondContact O-N 3.26Å; D147-K150 CarbonylContact O-C 3.55Å; D147-K150 WeakPolarHBondContact O-CA 3.24Å; D147-K150 PolarHBondContact O-N 2.72Å; D147-D151 PolarHBondContact O-N 2.99Å; D147-N152 HydrophobicContact CB-CB 4.25Å; D147-N152 PolarHBondContact O-N 2.86Å; D147-N152 PolarHBondContact OD2-ND2 2.92Å
148	I	96.1	Very high	96.7	Very high	22 Å²	22	54.5 Å²	54.5	11%	0.113	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-66.1	-14.6	176.1	62.7	157.9	0	0	0	113.2	L146 K150 N152 W153 L157 V162	L146-I148 VanDerWaalsContact C-N 3.31Å; L146-I148 HydrophobicContact CD1-CG1 4.4Å; L146-I148 HydrophobicContact CD2-CD1 3.99Å; L146-I148 HydrophobicContact CD2-CG1 3.67Å; L146-I148 HydrophobicContact CG-CD1 4.47Å; L146-I148 HydrophobicContact CG-CG1 3.66Å; L146-I148 PolarHBondContact O-N 3.32Å; I148-K150 VanDerWaalsContact C-N 3.34Å; I148-N152 HydrophobicContact CG2-CB 4.5Å; I148-W153 WeakPolarHBondContact O-CA 3.41Å; I148-W153 WeakPolarHBondContact O-CB 3.4Å; I148-W153 VanDerWaalsContact O-CE3 3.27Å; I148-L157 HydrophobicContact CB-CD1 3.81Å; I148-L157 HydrophobicContact CD1-CD1 4.42Å; I148-L157 HydrophobicContact CG2-CD1 4.05Å; I148-V162 HydrophobicContact CD1-CG2 4.11Å
149	L	95.3	Very high	96.6	Very high	23 Å²	23	54.5 Å²	54.5	12%	0.12	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-92.4	3.4	172.1	-63.5	177.8	0	0	0	112.8	P124 V127 L146 D147 V162	P124-L149 WeakPolarHBondContact CG-O 3.5Å; V127-L149 HydrophobicContact CB-CD1 4.05Å; V127-L149 HydrophobicContact CG2-CD1 4.35Å; V127-L149 HydrophobicContact CG2-CD2 4.04Å; L146-L149 HydrophobicContact CB-CD1 4.21Å; L146-L149 HydrophobicContact CB-CG 4.37Å; L146-L149 HydrophobicContact CD2-CD1 4.25Å; L146-L149 HydrophobicContact CD2-CG 4.28Å; L146-L149 WeakPolarHBondContact O-CB 3.08Å; L146-L149 PolarHBondContact O-N 2.78Å; D147-L149 PolarHBondContact O-N 3.26Å; L149-V162 HydrophobicContact CD2-CG1 3.87Å; L149-V162 HydrophobicContact CD2-CG2 4.33Å
150	K	91.4	Very high	96.6	Very high	104 Å²	104	53.3 Å²	53.3	45%	0.452	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	-108.6	-178.4	-62.1	179	-178	173.5	0	109.8	C145 D147 I148	C145-K150 PolarHBondContact SG-NZ 3.13Å; D147-K150 CarbonylContact O-C 3.55Å; D147-K150 WeakPolarHBondContact O-CA 3.24Å; D147-K150 PolarHBondContact O-N 2.72Å; I148-K150 VanDerWaalsContact C-N 3.34Å
151	D	91.8	Very high	96.7	Very high	155 Å²	155	53.1 Å²	53.1	83%	0.829	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-23.9	-166.8	-53.6	-38.7	0	0	0	112.7	D147	D147-D151 PolarHBondContact O-N 2.99Å
152	N	95.9	Very high	96.7	Very high	97 Å²	97	46.3 Å²	46.3	52%	0.519	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	17.9	179.3	-70.4	-20.9	0	0	0	112.9	D147 I148 S154	D147-N152 HydrophobicContact CB-CB 4.25Å; D147-N152 PolarHBondContact O-N 2.86Å; D147-N152 PolarHBondContact OD2-ND2 2.92Å; I148-N152 HydrophobicContact CG2-CB 4.5Å; N152-S154 PolarHBondContact O-N 3.18Å
153	W	98.2	Very high	96.7	Very high	29 Å²	29	46 Å²	46	11%	0.11	26%	0.255	C	S	.	.			trans	-65.5	134.6	172.4	175.6	-104.2	0	0	0	110.8	Y120 P121 P124 P125 I148 L157 V162	Y120-W153 HydrophobicContact CD2-CZ2 4.2Å; Y120-W153 AromaticContact CE2-CH2 3.69Å; Y120-W153 HydrophobicContact CE2-CH2 3.69Å; Y120-W153 AromaticContact CE2-CZ2 3.58Å; Y120-W153 HydrophobicContact CE2-CZ2 3.58Å; P121-W153 HydrophobicContact CB-CZ2 4.48Å; P121-W153 PolarHBondContact O-NE1 3.39Å; P124-W153 HydrophobicContact CB-CB 3.96Å; P124-W153 HydrophobicContact CB-CD2 3.58Å; P124-W153 HydrophobicContact CB-CE3 3.81Å; P124-W153 HydrophobicContact CB-CG 3.64Å; P124-W153 HydrophobicContact CG-CB 4.11Å; P124-W153 HydrophobicContact CG-CG 4.07Å; P125-W153 HydrophobicContact CG-CH2 4.46Å; P125-W153 HydrophobicContact CG-CZ3 4.5Å; I148-W153 WeakPolarHBondContact O-CA 3.41Å; I148-W153 WeakPolarHBondContact O-CB 3.4Å; I148-W153 VanDerWaalsContact O-CE3 3.27Å; W153-L157 HydrophobicContact CE3-CB 4.08Å; W153-L157 HydrophobicContact CE3-CD1 3.82Å; W153-L157 HydrophobicContact CH2-CB 3.96Å; W153-L157 HydrophobicContact CZ3-CB 3.62Å; W153-L157 HydrophobicContact CZ3-CD1 4.14Å; W153-V162 HydrophobicContact CZ3-CG2 3.94Å
154	S	98.1	Very high	96.7	Very high	50 Å²	50	46.8 Å²	46.8	35%	0.35	26%	0.256	S	S	.	.			trans	-126.4	138.9	171.7	171.5	0	0	0	0	109.7	N152 A156 L157	N152-S154 PolarHBondContact O-N 3.18Å; S154-A156 PolarHBondContact O-N 3.1Å; S154-A156 PolarHBondContact OG-N 3.1Å; S154-L157 VanDerWaalsContact O-CB 3.32Å; S154-L157 WeakPolarHBondContact O-CB 3.49Å; S154-L157 PolarHBondContact O-N 2.97Å
155	P	97.6	Very high	96.6	Very high	51 Å²	51	48.5 Å²	48.5	33%	0.331	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-14.2	174.3	-24	33.5	0	0	0	114.7	R65 P121 F122	R65-P155 PolarHBondContact NH1-O 3.36Å; R65-P155 PolarHBondContact NH2-O 2.87Å; P121-P155 HydrophobicContact CB-CB 4.27Å; P121-P155 HydrophobicContact CG-CB 4.15Å; P121-P155 VanDerWaalsContact O-CA 3.31Å; P121-P155 WeakPolarHBondContact O-CA 3.42Å; P121-P155 WeakPolarHBondContact O-CB 3.45Å; F122-P155 HydrophobicContact CD1-CB 4.43Å; F122-P155 HydrophobicContact CD1-CG 3.93Å; F122-P155 HydrophobicContact CE1-CG 4.46Å
156	A	97.7	Very high	96.7	Very high	67 Å²	67	47.9 Å²	47.9	55%	0.554	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-11	174	0	0	0	0	0	114	S154	S154-A156 PolarHBondContact O-N 3.1Å; S154-A156 PolarHBondContact OG-N 3.1Å
157	L	98.2	Very high	96.9	Very high	32 Å²	32	47.9 Å²	47.9	17%	0.168	27%	0.266	C	S	.	.			trans	-74.2	150.4	169.9	-64.4	175.3	0	0	0	110	R65 I148 W153 S154 K161	R65-L157 PolarHBondContact NH2-O 2.84Å; I148-L157 HydrophobicContact CB-CD1 3.81Å; I148-L157 HydrophobicContact CD1-CD1 4.42Å; I148-L157 HydrophobicContact CG2-CD1 4.05Å; W153-L157 HydrophobicContact CE3-CB 4.08Å; W153-L157 HydrophobicContact CE3-CD1 3.82Å; W153-L157 HydrophobicContact CH2-CB 3.96Å; W153-L157 HydrophobicContact CZ3-CB 3.62Å; W153-L157 HydrophobicContact CZ3-CD1 4.14Å; S154-L157 VanDerWaalsContact O-CB 3.32Å; S154-L157 WeakPolarHBondContact O-CB 3.49Å; S154-L157 PolarHBondContact O-N 2.97Å; L157-K161 HydrophobicContact CD2-CB 4.4Å; L157-K161 HydrophobicContact CD2-CD 4.05Å
158	T	98.3	Very high	97.1	Very high	24 Å²	24	47.5 Å²	47.5	15%	0.147	27%	0.27	C	S	.	.			trans	-126.7	165.2	179.5	62.2	0	0	0	0	109.5	E69 S160 K161 V162	E69-T158 HydrophobicContact CG-CG2 4.42Å; E69-T158 VanDerWaalsContact OE2-CA 3.25Å; E69-T158 WeakPolarHBondContact OE2-CA 3.36Å; E69-T158 VanDerWaalsContact OE2-CB 3.31Å; E69-T158 WeakPolarHBondContact OE2-CB 3.46Å; T158-S160 VanDerWaalsContact C-N 3.26Å; T158-S160 PolarHBondContact O-N 3.43Å; T158-K161 PolarHBondContact O-N 2.85Å; T158-K161 VanDerWaalsContact O-N 3.1Å; T158-K161 PolarHBondContact OG1-N 3.46Å; T158-V162 WeakPolarHBondContact O-CG2 3.49Å; T158-V162 PolarHBondContact O-N 3.41Å
159	I	98.4	Very high	97.1	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-57.7	-40.7	174.6	-65.2	-54.3	0	0	0	111.5	E69 I73 A83 W93 I114 F116 P125 K161 V162 L163	E69-I159 PolarHBondContact OE2-N 3.05Å; I73-I159 HydrophobicContact CD1-CG2 4.13Å; A83-I159 HydrophobicContact CB-CG2 4.44Å; W93-I159 HydrophobicContact CE3-CG2 4.39Å; W93-I159 HydrophobicContact CZ3-CB 4.43Å; W93-I159 HydrophobicContact CZ3-CG1 4.4Å; W93-I159 HydrophobicContact CZ3-CG2 4.14Å; I114-I159 HydrophobicContact CD1-CG2 3.95Å; I114-I159 HydrophobicContact CG2-CD1 3.98Å; F116-I159 HydrophobicContact CE1-CD1 3.56Å; F116-I159 HydrophobicContact CE1-CG1 3.66Å; F116-I159 HydrophobicContact CZ-CD1 3.74Å; F116-I159 HydrophobicContact CZ-CG1 3.61Å; P125-I159 HydrophobicContact CB-CD1 4.21Å; P125-I159 HydrophobicContact CG-CD1 3.74Å; I159-K161 VanDerWaalsContact C-N 3.31Å; I159-K161 PolarHBondContact O-N 3.41Å; I159-V162 PolarHBondContact O-N 2.94Å; I159-V162 VanDerWaalsContact O-N 3.16Å; I159-L163 HydrophobicContact CG2-CD1 3.86Å; I159-L163 HydrophobicContact CG2-CG 4.14Å; I159-L163 WeakPolarHBondContact O-CG 3.47Å; I159-L163 PolarHBondContact O-N 3.15Å
160	S	98.1	Very high	97.3	Very high	23 Å²	23	46.3 Å²	46.3	16%	0.161	26%	0.264	C	S	.	.	H	α-helix	trans	-55.3	-46.2	174.6	-60	0	0	0	0	111.9	T158 L163 L164	T158-S160 VanDerWaalsContact C-N 3.26Å; T158-S160 PolarHBondContact O-N 3.43Å; S160-L163 PolarHBondContact O-N 2.92Å; S160-L164 VanDerWaalsContact O-CG 3.3Å; S160-L164 WeakPolarHBondContact O-CG 3.39Å; S160-L164 PolarHBondContact O-N 3.01Å
161	K	97.9	Very high	97.5	Very high	105 Å²	105	44.6 Å²	44.6	46%	0.457	26%	0.262	S	S	.	.	H	α-helix	trans	-66.5	-40	177.1	-69.8	178.7	179.9	176	0	112.4	L157 T158 I159 L164 S165	L157-K161 HydrophobicContact CD2-CB 4.4Å; L157-K161 HydrophobicContact CD2-CD 4.05Å; T158-K161 PolarHBondContact O-N 2.85Å; T158-K161 VanDerWaalsContact O-N 3.1Å; T158-K161 PolarHBondContact OG1-N 3.46Å; I159-K161 VanDerWaalsContact C-N 3.31Å; I159-K161 PolarHBondContact O-N 3.41Å; K161-L164 PolarHBondContact O-N 2.73Å; K161-S165 PolarHBondContact O-N 3.06Å; K161-S165 PolarHBondContact O-OG 3.26Å
162	V	98.4	Very high	97.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.8	-46.1	176	169.9	0	0	0	0	111.1	V127 I148 L149 W153 T158 I159 L164 S165 I166	V127-V162 HydrophobicContact CG2-CG1 4.17Å; I148-V162 HydrophobicContact CD1-CG2 4.11Å; L149-V162 HydrophobicContact CD2-CG1 3.87Å; L149-V162 HydrophobicContact CD2-CG2 4.33Å; W153-V162 HydrophobicContact CZ3-CG2 3.94Å; T158-V162 WeakPolarHBondContact O-CG2 3.49Å; T158-V162 PolarHBondContact O-N 3.41Å; I159-V162 PolarHBondContact O-N 2.94Å; I159-V162 VanDerWaalsContact O-N 3.16Å; V162-L164 PolarHBondContact O-N 2.77Å; V162-S165 PolarHBondContact O-N 2.87Å; V162-I166 HydrophobicContact CG1-CD1 4.01Å; V162-I166 WeakPolarHBondContact O-CG1 3.47Å; V162-I166 PolarHBondContact O-N 3.25Å
163	L	98.5	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65	-38.8	178.8	-66.5	174.4	0	0	0	112	I73 C81 A83 S95 I97 I114 I159 S160 I166 C167	I73-L163 HydrophobicContact CD1-CD1 3.97Å; C81-L163 HydrophobicContact CB-CB 4.44Å; C81-L163 HydrophobicContact CB-CD1 4.3Å; A83-L163 HydrophobicContact CB-CD1 3.97Å; S95-L163 VanDerWaalsContact OG-CD2 3.29Å; S95-L163 WeakPolarHBondContact OG-CD2 3.31Å; I97-L163 HydrophobicContact CD1-CD2 4.09Å; I97-L163 HydrophobicContact CG1-CD2 4.43Å; I114-L163 HydrophobicContact CD1-CD2 4.39Å; I159-L163 HydrophobicContact CG2-CD1 3.86Å; I159-L163 HydrophobicContact CG2-CG 4.14Å; I159-L163 WeakPolarHBondContact O-CG 3.47Å; I159-L163 PolarHBondContact O-N 3.15Å; S160-L163 PolarHBondContact O-N 2.92Å; L163-I166 PolarHBondContact O-N 3.17Å; L163-C167 PolarHBondContact O-N 3.43Å; L163-C167 PolarHBondContact O-SG 3.41Å
164	L	97.5	Very high	97.5	Very high	79 Å²	79	41 Å²	41	41%	0.414	25%	0.246	S	C	.	.	H	α-helix	trans	-60.9	-44.9	172.3	-73.4	171.5	0	0	0	112	P78 S160 K161 V162 I166 C167 S168	P78-L164 HydrophobicContact CB-CD2 3.8Å; P78-L164 HydrophobicContact CB-CG 3.91Å; S160-L164 VanDerWaalsContact O-CG 3.3Å; S160-L164 WeakPolarHBondContact O-CG 3.39Å; S160-L164 PolarHBondContact O-N 3.01Å; K161-L164 PolarHBondContact O-N 2.73Å; V162-L164 PolarHBondContact O-N 2.77Å; L164-I166 VanDerWaalsContact C-N 3.31Å; L164-I166 PolarHBondContact O-N 3.05Å; L164-C167 WeakPolarHBondContact O-CB 3.48Å; L164-C167 PolarHBondContact O-N 2.89Å; L164-S168 PolarHBondContact O-N 2.88Å
165	S	97.9	Very high	97.4	Very high	44 Å²	44	40 Å²	40	31%	0.308	24%	0.239	S	C	.	.	H	α-helix	trans	-63.1	-36.8	176	-63.9	0	0	0	0	112.2	K161 V162 S168 L169	K161-S165 PolarHBondContact O-N 3.06Å; K161-S165 PolarHBondContact O-OG 3.26Å; V162-S165 PolarHBondContact O-N 2.87Å; S165-S168 WeakPolarHBondContact O-CB 3.31Å; S165-S168 PolarHBondContact O-N 3.5Å; S165-L169 WeakPolarHBondContact O-CB 3.44Å; S165-L169 PolarHBondContact O-N 3.16Å
166	I	98.4	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.9	-42.2	173.5	-66.6	165.8	0	0	0	110.7	I97 L112 V127 F129 I144 L146 V162 L163 L164 S168 L169 L170	I97-I166 HydrophobicContact CD1-CB 4.15Å; I97-I166 HydrophobicContact CD1-CG2 3.65Å; L112-I166 HydrophobicContact CD2-CD1 4Å; L112-I166 HydrophobicContact CD2-CG2 4.45Å; V127-I166 HydrophobicContact CG1-CD1 3.87Å; F129-I166 HydrophobicContact CE2-CG2 3.95Å; F129-I166 HydrophobicContact CZ-CG2 3.88Å; I144-I166 HydrophobicContact CD1-CD1 3.87Å; I144-I166 HydrophobicContact CD1-CG1 4.32Å; L146-I166 HydrophobicContact CD2-CG1 3.96Å; V162-I166 HydrophobicContact CG1-CD1 4.01Å; V162-I166 WeakPolarHBondContact O-CG1 3.47Å; V162-I166 PolarHBondContact O-N 3.25Å; L163-I166 PolarHBondContact O-N 3.17Å; L164-I166 VanDerWaalsContact C-N 3.31Å; L164-I166 PolarHBondContact O-N 3.05Å; I166-S168 VanDerWaalsContact C-N 3.31Å; I166-S168 PolarHBondContact O-N 3.07Å; I166-L169 WeakPolarHBondContact O-CB 3.37Å; I166-L169 PolarHBondContact O-N 3.02Å; I166-L169 VanDerWaalsContact O-N 3.15Å; I166-L170 WeakPolarHBondContact O-CG 3.29Å; I166-L170 PolarHBondContact O-N 3.39Å
167	C	97.7	Very high	97.1	Very high	18 Å²	18	43 Å²	43	12%	0.122	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-40.6	175	-67.1	0	0	0	0	112.2	C81 L163 L164 L169 L170 T171	C81-C167 PolarHBondContact SG-SG 2.85Å; L163-C167 PolarHBondContact O-N 3.43Å; L163-C167 PolarHBondContact O-SG 3.41Å; L164-C167 WeakPolarHBondContact O-CB 3.48Å; L164-C167 PolarHBondContact O-N 2.89Å; C167-L169 VanDerWaalsContact C-N 3.34Å; C167-L170 PolarHBondContact O-N 2.98Å; C167-T171 PolarHBondContact O-N 3.08Å; C167-T171 PolarHBondContact O-OG1 3.01Å; C167-T171 VanDerWaalsContact O-OG1 3.07Å
168	S	97	Very high	97	Very high	72 Å²	72	43.6 Å²	43.6	50%	0.503	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-43.6	173.3	-169.1	0	0	0	0	111	L164 S165 I166 L170 T171 D172	L164-S168 PolarHBondContact O-N 2.88Å; S165-S168 WeakPolarHBondContact O-CB 3.31Å; S165-S168 PolarHBondContact O-N 3.5Å; I166-S168 VanDerWaalsContact C-N 3.31Å; I166-S168 PolarHBondContact O-N 3.07Å; S168-L170 VanDerWaalsContact C-N 3.32Å; S168-L170 PolarHBondContact O-N 3.11Å; S168-T171 WeakPolarHBondContact O-CB 3.42Å; S168-T171 PolarHBondContact O-N 3.02Å; S168-D172 PolarHBondContact O-N 3.02Å
169	L	97.6	Very high	97	Very high	16 Å²	16	45.4 Å²	45.4	8%	0.084	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-37.8	177.5	-175.6	67.2	0	0	0	112.3	H135 N137 I144 S165 I166 C167 T171 D172 C173	H135-L169 PolarHBondContact NE2-O 3.15Å; H135-L169 VanDerWaalsContact NE2-O 3.09Å; N137-L169 HydrophobicContact CB-CD1 4.32Å; N137-L169 HydrophobicContact CB-CD2 4.16Å; I144-L169 HydrophobicContact CG2-CD2 3.87Å; S165-L169 WeakPolarHBondContact O-CB 3.44Å; S165-L169 PolarHBondContact O-N 3.16Å; I166-L169 WeakPolarHBondContact O-CB 3.37Å; I166-L169 PolarHBondContact O-N 3.02Å; I166-L169 VanDerWaalsContact O-N 3.15Å; C167-L169 VanDerWaalsContact C-N 3.34Å; L169-T171 PolarHBondContact O-N 3.34Å; L169-D172 CarbonylContact O-C 3.51Å; L169-D172 PolarHBondContact O-N 3.4Å; L169-C173 WeakPolarHBondContact O-CA 3.49Å; L169-C173 PolarHBondContact O-N 2.83Å
170	L	98.1	Very high	96.9	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-66.5	-26.4	174.4	-67.1	-175.3	0	0	0	112.7	I97 P100 Y105 F129 I133 I138 I166 C167 S168	I97-L170 HydrophobicContact CG2-CD1 4.17Å; P100-L170 HydrophobicContact CG-CB 4.01Å; Y105-L170 HydrophobicContact CD2-CB 3.91Å; Y105-L170 HydrophobicContact CD2-CD2 4.27Å; Y105-L170 VanDerWaalsContact CD2-O 3.24Å; Y105-L170 WeakPolarHBondContact CD2-O 3.43Å; Y105-L170 HydrophobicContact CE2-CB 4.2Å; Y105-L170 HydrophobicContact CE2-CD2 4.17Å; Y105-L170 WeakPolarHBondContact CE2-O 3.27Å; F129-L170 HydrophobicContact CZ-CD1 4.43Å; F129-L170 HydrophobicContact CZ-CD2 4.21Å; I133-L170 HydrophobicContact CD1-CD2 3.54Å; I138-L170 HydrophobicContact CD1-CD2 4.03Å; I166-L170 WeakPolarHBondContact O-CG 3.29Å; I166-L170 PolarHBondContact O-N 3.39Å; C167-L170 PolarHBondContact O-N 2.98Å; S168-L170 VanDerWaalsContact C-N 3.32Å; S168-L170 PolarHBondContact O-N 3.11Å
171	T	96.3	Very high	96.9	Very high	67 Å²	67	47.7 Å²	47.7	41%	0.411	29%	0.291	S	S	.	.	H	α-helix	trans	-81.3	-45.5	175.8	-51.5	0	0	0	0	110.2	C167 S168 L169	C167-T171 PolarHBondContact O-N 3.08Å; C167-T171 PolarHBondContact O-OG1 3.01Å; C167-T171 VanDerWaalsContact O-OG1 3.07Å; S168-T171 WeakPolarHBondContact O-CB 3.42Å; S168-T171 PolarHBondContact O-N 3.02Å; L169-T171 PolarHBondContact O-N 3.34Å
172	D	95.1	Very high	97	Very high	108 Å²	108	46.8 Å²	46.8	58%	0.578	30%	0.298	S	S	*	.	S	Bend	trans	-128.5	90.9	-175.2	-61	-66.8	0	0	0	110.3	S168 L169	S168-D172 PolarHBondContact O-N 3.02Å; L169-D172 CarbonylContact O-C 3.51Å; L169-D172 PolarHBondContact O-N 3.4Å
173	C	95.3	Very high	97	Very high	21 Å²	21	47.4 Å²	47.4	14%	0.142	30%	0.301	C	S	.	.			trans	-69.6	156.3	177.3	74.2	0	0	0	0	111.5	C136 L169 P175 Y187	C136-C173 VanDerWaalsContact SG-SG 3.68Å; L169-C173 WeakPolarHBondContact O-CA 3.49Å; L169-C173 PolarHBondContact O-N 2.83Å; C173-P175 WeakPolarHBondContact O-CD 3.41Å; C173-Y187 WeakPolarHBondContact SG-CE2 3.39Å; C173-Y187 VanDerWaalsContact SG-CZ 3.51Å
174	N	95.1	Very high	97	Very high	76 Å²	76	47.6 Å²	47.6	41%	0.406	30%	0.302	S	S	.	.			trans	-104.9	91.8	175.5	-177.7	3.3	0	0	0	111.3	N137 A176 D177	N137-N174 PolarHBondContact ND2-O 3.03Å; N137-N174 PolarHBondContact OD1-N 2.84Å; N174-A176 PolarHBondContact O-N 2.77Å; N174-A176 WeakPolarHBondContact OD1-CB 3.39Å; N174-A176 PolarHBondContact OD1-N 3.24Å; N174-A176 VanDerWaalsContact OD1-N 3.11Å; N174-D177 PolarHBondContact O-N 3.09Å
175	P	95.5	Very high	97	Very high	29 Å²	29	47.8 Å²	47.8	19%	0.188	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-9.5	-179.7	31.3	-37.5	0	0	0	114.1	C173 P178 A184 Y187 L188	C173-P175 WeakPolarHBondContact O-CD 3.41Å; P175-P178 WeakPolarHBondContact O-CD 3.43Å; P175-A184 HydrophobicContact CB-CB 4.13Å; P175-Y187 HydrophobicContact CB-CD1 4.05Å; P175-Y187 HydrophobicContact CG-CD1 3.95Å; P175-Y187 HydrophobicContact CG-CE1 4.05Å; P175-L188 HydrophobicContact CB-CD1 4.11Å; P175-L188 HydrophobicContact CB-CD2 4.1Å; P175-L188 HydrophobicContact CB-CG 3.98Å; P175-L188 HydrophobicContact CG-CD2 3.79Å; P175-L188 HydrophobicContact CG-CG 4.25Å
176	A	95.3	Very high	97	Very high	93 Å²	93	47.6 Å²	47.6	77%	0.769	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-22.5	178	0	0	0	0	0	113.3	N174 P178	N174-A176 PolarHBondContact O-N 2.77Å; N174-A176 WeakPolarHBondContact OD1-CB 3.39Å; N174-A176 PolarHBondContact OD1-N 3.24Å; N174-A176 VanDerWaalsContact OD1-N 3.11Å; A176-P178 VanDerWaalsContact C-CD 3.48Å
177	D	93.9	Very high	97	Very high	89 Å²	89	49.6 Å²	49.6	48%	0.476	31%	0.309	S	S	.	.	S	Bend	trans	-127.8	67.4	173.4	-176.5	32.8	0	0	0	111.6	N137 C145 N174	N137-D177 PolarHBondContact ND2-O 3.13Å; C145-D177 PolarHBondContact SG-OD2 3.02Å; N174-D177 PolarHBondContact O-N 3.09Å
178	P	96.8	Very high	97	Very high	44 Å²	44	54.5 Å²	54.5	29%	0.286	33%	0.333	S	S	.	.			trans	-86.5	147	-174.3	36	-34.8	0	0	0	112.4	C136 P175 A176 A184	C136-P178 HydrophobicContact CB-CB 4.19Å; P175-P178 WeakPolarHBondContact O-CD 3.43Å; A176-P178 VanDerWaalsContact C-CD 3.48Å; P178-A184 HydrophobicContact CB-CB 3.56Å; P178-A184 HydrophobicContact CG-CB 3.79Å
179	L	97.3	Very high	97.1	Very high	63 Å²	63	56.3 Å²	56.3	33%	0.33	34%	0.341	S	S	.	.	S	Bend	trans	-82.9	-24.6	162.2	-64.5	-177.4	0	0	0	112.2	C136 N137 N139 V143 C145	C136-L179 PolarHBondContact O-N 3.38Å; N137-L179 WeakPolarHBondContact O-CD1 3.36Å; N139-L179 HydrophobicContact CB-CB 4.15Å; N139-L179 HydrophobicContact CB-CD1 4.36Å; V143-L179 HydrophobicContact CB-CD1 4.42Å; V143-L179 HydrophobicContact CG1-CD1 4.23Å; V143-L179 WeakPolarHBondContact O-CD1 3.42Å; C145-L179 HydrophobicContact CB-CD1 3.94Å; C145-L179 HydrophobicContact CB-CD2 3.88Å; C145-L179 HydrophobicContact CB-CG 3.64Å
180	V	98.1	Very high	97.1	Very high	33 Å²	33	59.3 Å²	59.3	20%	0.2	36%	0.358	C	S	.	.	S	Bend	trans	-123.8	89.9	-179.7	-165.5	0	0	0	0	109	C136 N139 S182 I183 A184	C136-V180 PolarHBondContact O-N 3.38Å; N139-V180 HydrophobicContact CB-CG2 4.12Å; V180-S182 VanDerWaalsContact C-N 3.28Å; V180-S182 PolarHBondContact O-N 2.86Å; V180-I183 HydrophobicContact CB-CB 4.31Å; V180-I183 HydrophobicContact CB-CD1 3.98Å; V180-I183 HydrophobicContact CB-CG1 4.09Å; V180-I183 HydrophobicContact CG1-CB 4.27Å; V180-I183 HydrophobicContact CG1-CD1 3.72Å; V180-I183 HydrophobicContact CG1-CG1 3.63Å; V180-I183 HydrophobicContact CG2-CD1 4.41Å; V180-I183 PolarHBondContact O-N 2.97Å; V180-I183 VanDerWaalsContact O-N 3.14Å; V180-A184 PolarHBondContact O-N 3.36Å
181	G	98.1	Very high	97.2	Very high	40 Å²	40	64.4 Å²	64.4	41%	0.412	38%	0.377	S	S	.	.	H	α-helix	trans	-56.7	-38	-174.6	0	0	0	0	0	113.8	I183 A184 T185	G181-I183 PolarHBondContact O-N 2.86Å; G181-A184 WeakPolarHBondContact O-CB 3.26Å; G181-A184 PolarHBondContact O-N 2.92Å; G181-T185 PolarHBondContact O-N 3.02Å; G181-T185 PolarHBondContact O-OG1 3.48Å; G181-T185 VanDerWaalsContact O-OG1 3.09Å
182	S	98.2	Very high	97.3	Very high	85 Å²	85	64.6 Å²	64.6	59%	0.594	39%	0.385	S	S	*	.	H	α-helix	trans	-62.7	-39.5	178.3	54.5	0	0	0	0	113.2	V180 Q186	V180-S182 VanDerWaalsContact C-N 3.28Å; V180-S182 PolarHBondContact O-N 2.86Å; S182-Q186 PolarHBondContact O-N 2.96Å
183	I	98.6	Very high	97.4	Very high	13 Å²	13	62.2 Å²	62.2	7%	0.067	37%	0.37	C	S	.	.	H	α-helix	trans	-67.7	-41.3	175.9	-58.8	-178	0	0	0	109.7	Y134 C136 V180 G181 Q186 Y187	Y134-I183 HydrophobicContact CD1-CD1 4.43Å; Y134-I183 HydrophobicContact CD1-CG2 4.1Å; Y134-I183 HydrophobicContact CD2-CD1 3.83Å; Y134-I183 HydrophobicContact CD2-CG1 4.4Å; Y134-I183 HydrophobicContact CE1-CB 4.44Å; Y134-I183 HydrophobicContact CE1-CD1 4.34Å; Y134-I183 HydrophobicContact CE1-CG1 4.15Å; Y134-I183 HydrophobicContact CE1-CG2 3.68Å; Y134-I183 HydrophobicContact CE2-CD1 3.7Å; Y134-I183 HydrophobicContact CE2-CG1 3.78Å; Y134-I183 HydrophobicContact CG-CD1 4.19Å; C136-I183 HydrophobicContact CB-CB 4.09Å; C136-I183 HydrophobicContact CB-CG2 3.92Å; V180-I183 HydrophobicContact CB-CB 4.31Å; V180-I183 HydrophobicContact CB-CD1 3.98Å; V180-I183 HydrophobicContact CB-CG1 4.09Å; V180-I183 HydrophobicContact CG1-CB 4.27Å; V180-I183 HydrophobicContact CG1-CD1 3.72Å; V180-I183 HydrophobicContact CG1-CG1 3.63Å; V180-I183 HydrophobicContact CG2-CD1 4.41Å; V180-I183 PolarHBondContact O-N 2.97Å; V180-I183 VanDerWaalsContact O-N 3.14Å; G181-I183 PolarHBondContact O-N 2.86Å; I183-Q186 PolarHBondContact O-N 3.2Å; I183-Y187 WeakPolarHBondContact O-CB 3.5Å; I183-Y187 PolarHBondContact O-N 2.93Å
184	A	98.4	Very high	97.6	Very high	4 Å²	4	61.4 Å²	61.4	3%	0.033	37%	0.365	C	S	.	.	H	α-helix	trans	-62.8	-45.5	176.7	0	0	0	0	0	112.4	C136 P175 P178 V180 G181 Q186 Y187 L188	C136-A184 HydrophobicContact CB-CB 3.87Å; P175-A184 HydrophobicContact CB-CB 4.13Å; P178-A184 HydrophobicContact CB-CB 3.56Å; P178-A184 HydrophobicContact CG-CB 3.79Å; V180-A184 PolarHBondContact O-N 3.36Å; G181-A184 WeakPolarHBondContact O-CB 3.26Å; G181-A184 PolarHBondContact O-N 2.92Å; A184-Q186 VanDerWaalsContact C-N 3.33Å; A184-Q186 PolarHBondContact O-N 3.24Å; A184-Y187 WeakPolarHBondContact O-CB 3.49Å; A184-Y187 PolarHBondContact O-N 3.06Å; A184-L188 WeakPolarHBondContact O-CG 3.15Å; A184-L188 PolarHBondContact O-N 3.44Å
185	T	98.4	Very high	97.8	Very high	83 Å²	83	58.9 Å²	58.9	51%	0.509	35%	0.351	S	S	.	.	H	α-helix	trans	-59.9	-44.7	175.4	-57.4	0	0	0	0	110.9	G181 L188 T189	G181-T185 PolarHBondContact O-N 3.02Å; G181-T185 PolarHBondContact O-OG1 3.48Å; G181-T185 VanDerWaalsContact O-OG1 3.09Å; T185-L188 PolarHBondContact O-N 2.84Å; T185-T189 HydrophobicContact CG2-CG2 4.26Å; T185-T189 WeakPolarHBondContact O-CB 3.38Å; T185-T189 WeakPolarHBondContact O-CG2 3.43Å; T185-T189 PolarHBondContact O-N 2.95Å; T185-T189 PolarHBondContact O-OG1 3.47Å
186	Q	98.5	Very high	97.9	Very high	41 Å²	41	62.9 Å²	62.9	19%	0.192	36%	0.362	C	S	.	.	H	α-helix	trans	-64.2	-41.3	176.5	-167.7	-176.5	56	0	0	112.2	Y134 S182 I183 A184 L188 T189 N190 H194	Y134-Q186 PolarHBondContact OH-OE1 3.5Å; S182-Q186 PolarHBondContact O-N 2.96Å; I183-Q186 PolarHBondContact O-N 3.2Å; A184-Q186 VanDerWaalsContact C-N 3.33Å; A184-Q186 PolarHBondContact O-N 3.24Å; Q186-L188 VanDerWaalsContact C-N 3.28Å; Q186-L188 PolarHBondContact O-N 3.04Å; Q186-T189 PolarHBondContact O-N 3.4Å; Q186-N190 CarbonylContact O-C 3.08Å; Q186-N190 WeakPolarHBondContact O-CA 3.41Å; Q186-N190 PolarHBondContact O-N 3.38Å; Q186-H194 HydrophobicContact CG-CB 4.18Å
187	Y	98.3	Very high	98.1	Very high	42 Å²	42	59.7 Å²	59.7	17%	0.165	33%	0.332	C	S	.	.	H	α-helix	trans	-56	-43.1	175.3	-179.9	-93.4	0	0	0	112	C173 P175 I183 A184 R191 H194	C173-Y187 WeakPolarHBondContact SG-CE2 3.39Å; C173-Y187 VanDerWaalsContact SG-CZ 3.51Å; P175-Y187 HydrophobicContact CB-CD1 4.05Å; P175-Y187 HydrophobicContact CG-CD1 3.95Å; P175-Y187 HydrophobicContact CG-CE1 4.05Å; I183-Y187 WeakPolarHBondContact O-CB 3.5Å; I183-Y187 PolarHBondContact O-N 2.93Å; A184-Y187 WeakPolarHBondContact O-CB 3.49Å; A184-Y187 PolarHBondContact O-N 3.06Å; Y187-R191 VanDerWaalsContact CE2-CZ 3.45Å; Y187-R191 VanDerWaalsContact CZ-NH1 3.32Å; Y187-R191 PolarHBondContact OH-NH1 3.23Å; Y187-H194 AromaticContact CD2-CE1 3.63Å; Y187-H194 AromaticContact CD2-ND1 3.71Å; Y187-H194 AromaticContact CD2-NE2 3.84Å
188	L	98.1	Very high	98.3	Very high	120 Å²	120	55.5 Å²	55.5	63%	0.628	31%	0.309	S	S	*	.	H	α-helix	trans	-77	-36	-178.7	-68.1	172.9	0	0	0	113.5	P175 A184 T185 Q186	P175-L188 HydrophobicContact CB-CD1 4.11Å; P175-L188 HydrophobicContact CB-CD2 4.1Å; P175-L188 HydrophobicContact CB-CG 3.98Å; P175-L188 HydrophobicContact CG-CD2 3.79Å; P175-L188 HydrophobicContact CG-CG 4.25Å; A184-L188 WeakPolarHBondContact O-CG 3.15Å; A184-L188 PolarHBondContact O-N 3.44Å; T185-L188 PolarHBondContact O-N 2.84Å; Q186-L188 VanDerWaalsContact C-N 3.28Å; Q186-L188 PolarHBondContact O-N 3.04Å
189	T	98.4	Very high	98.4	Very high	110 Å²	110	59.4 Å²	59.4	68%	0.675	32%	0.318	S	S	*	.	H	α-helix	trans	-100.1	-25.6	-171.2	57.9	0	0	0	0	114.1	T185 Q186	T185-T189 HydrophobicContact CG2-CG2 4.26Å; T185-T189 WeakPolarHBondContact O-CB 3.38Å; T185-T189 WeakPolarHBondContact O-CG2 3.43Å; T185-T189 PolarHBondContact O-N 2.95Å; T185-T189 PolarHBondContact O-OG1 3.47Å; Q186-T189 PolarHBondContact O-N 3.4Å
190	N	98.3	Very high	98.5	Very high	79 Å²	79	61 Å²	61	42%	0.422	32%	0.324	S	S	.	.			trans	-150.8	70.8	-179.8	-170.1	-12.3	0	0	0	110.6	Q186 A192 E193 H194	Q186-N190 CarbonylContact O-C 3.08Å; Q186-N190 WeakPolarHBondContact O-CA 3.41Å; Q186-N190 PolarHBondContact O-N 3.38Å; N190-A192 PolarHBondContact O-N 2.89Å; N190-E193 HydrophobicContact CB-CB 4.43Å; N190-E193 PolarHBondContact O-N 3Å; N190-E193 WeakPolarHBondContact OD1-CB 3.39Å; N190-E193 PolarHBondContact OD1-N 3.14Å; N190-E193 VanDerWaalsContact OD1-N 3.16Å; N190-H194 PolarHBondContact O-N 3.06Å
191	R	98.3	Very high	98.5	Very high	113 Å²	113	63.3 Å²	63.3	43%	0.426	33%	0.329	S	S	.	.	H	α-helix	trans	-55.9	-36.7	-179.2	-179.7	59.6	-174	-87.9	-0.7	113.2	Y187 H194 D195	Y187-R191 VanDerWaalsContact CE2-CZ 3.45Å; Y187-R191 VanDerWaalsContact CZ-NH1 3.32Å; Y187-R191 PolarHBondContact OH-NH1 3.23Å; R191-H194 PolarHBondContact O-N 3.24Å; R191-D195 WeakPolarHBondContact CD-OD1 3.49Å; R191-D195 IonicContact CZ-OD1 3.42Å; R191-D195 IonicContact CZ-OD2 3.62Å; R191-D195 IonicContact NE-OD1 2.77Å; R191-D195 PolarHBondContact NE-OD1 2.86Å; R191-D195 IonicContact NE-OD2 3.46Å; R191-D195 PolarHBondContact NE-OD2 2.78Å; R191-D195 IonicContact NH2-OD1 2.69Å; R191-D195 IonicContact NH2-OD2 3.62Å; R191-D195 WeakPolarHBondContact O-CB 3.47Å; R191-D195 VanDerWaalsContact O-CG 3.25Å; R191-D195 PolarHBondContact O-N 3.27Å
192	A	98.6	Very high	98.6	Very high	71 Å²	71	61.7 Å²	61.7	59%	0.587	31%	0.312	S	S	*	.	H	α-helix	trans	-63.1	-44.7	-179.6	0	0	0	0	0	112.1	N190 D195 R196	N190-A192 PolarHBondContact O-N 2.89Å; A192-D195 PolarHBondContact O-N 3.43Å; A192-R196 WeakPolarHBondContact O-CB 3.48Å; A192-R196 PolarHBondContact O-N 3.43Å
193	E	98.6	Very high	98.6	Very high	58 Å²	58	65.5 Å²	65.5	27%	0.271	32%	0.317	S	S	.	.	H	α-helix	trans	-71.3	-40.8	177.5	179.5	59.2	-171.9	0	0	112	N190 D195 R196 I197	N190-E193 HydrophobicContact CB-CB 4.43Å; N190-E193 PolarHBondContact O-N 3Å; N190-E193 WeakPolarHBondContact OD1-CB 3.39Å; N190-E193 PolarHBondContact OD1-N 3.14Å; N190-E193 VanDerWaalsContact OD1-N 3.16Å; E193-D195 VanDerWaalsContact C-N 3.3Å; E193-D195 PolarHBondContact O-N 2.92Å; E193-R196 WeakPolarHBondContact O-CB 3.47Å; E193-R196 PolarHBondContact O-N 3.24Å; E193-R196 IonicContact OE1-CZ 3.02Å; E193-R196 IonicContact OE1-NE 2.73Å; E193-R196 PolarHBondContact OE1-NE 3.34Å; E193-R196 IonicContact OE1-NH2 3.67Å; E193-R196 PolarHBondContact OE1-NH2 2.69Å; E193-R196 IonicContact OE2-CZ 3.13Å; E193-R196 IonicContact OE2-NE 2.72Å; E193-R196 PolarHBondContact OE2-NE 3.11Å; E193-R196 IonicContact OE2-NH2 3.53Å; E193-I197 HydrophobicContact CG-CD1 4.01Å; E193-I197 WeakPolarHBondContact O-CG1 3.21Å; E193-I197 PolarHBondContact O-N 2.77Å; E193-I197 WeakPolarHBondContact OE1-CD1 3.4Å
194	H	98.7	Very high	98.6	Very high	4 Å²	4	73.1 Å²	73.1	2%	0.019	35%	0.345	C	S	.	.	H	α-helix	trans	-51.2	-52.4	171.5	167.7	-81.8	0	0	0	110.7	Y134 Q186 Y187 N190 R191 R196 I197 A198	Y134-H194 AromaticContact CE1-CD2 3.78Å; Q186-H194 HydrophobicContact CG-CB 4.18Å; Y187-H194 AromaticContact CD2-CE1 3.63Å; Y187-H194 AromaticContact CD2-ND1 3.71Å; Y187-H194 AromaticContact CD2-NE2 3.84Å; N190-H194 PolarHBondContact O-N 3.06Å; R191-H194 PolarHBondContact O-N 3.24Å; H194-R196 VanDerWaalsContact C-N 3.32Å; H194-R196 PolarHBondContact O-N 3.2Å; H194-I197 PolarHBondContact O-N 3.42Å; H194-A198 WeakPolarHBondContact O-CB 3.43Å; H194-A198 PolarHBondContact O-N 3.23Å
195	D	98.8	Very high	98.6	Very high	22 Å²	22	76.2 Å²	76.2	12%	0.118	36%	0.357	C	S	.	.	H	α-helix	trans	-67.5	-34.4	-176.2	-72.8	4.1	0	0	0	112.2	V104 R191 A192 E193 R199	V104-D195 HydrophobicContact CG1-CB 3.63Å; V104-D195 VanDerWaalsContact CG1-CG 3.46Å; R191-D195 WeakPolarHBondContact CD-OD1 3.49Å; R191-D195 IonicContact CZ-OD1 3.42Å; R191-D195 IonicContact CZ-OD2 3.62Å; R191-D195 IonicContact NE-OD1 2.77Å; R191-D195 PolarHBondContact NE-OD1 2.86Å; R191-D195 IonicContact NE-OD2 3.46Å; R191-D195 PolarHBondContact NE-OD2 2.78Å; R191-D195 IonicContact NH2-OD1 2.69Å; R191-D195 IonicContact NH2-OD2 3.62Å; R191-D195 WeakPolarHBondContact O-CB 3.47Å; R191-D195 VanDerWaalsContact O-CG 3.25Å; R191-D195 PolarHBondContact O-N 3.27Å; A192-D195 PolarHBondContact O-N 3.43Å; E193-D195 VanDerWaalsContact C-N 3.3Å; E193-D195 PolarHBondContact O-N 2.92Å; D195-R199 WeakPolarHBondContact O-CB 3.42Å; D195-R199 WeakPolarHBondContact O-CG 3.45Å; D195-R199 PolarHBondContact O-N 2.83Å; D195-R199 PolarHBondContact O-NE 2.82Å
196	R	98.8	Very high	98.6	Very high	114 Å²	114	72.5 Å²	72.5	43%	0.43	34%	0.335	S	S	.	.	H	α-helix	trans	-61.7	-46.7	173	-167.7	-163.7	67.1	69.1	1.6	111	A192 E193 H194 Q200	A192-R196 WeakPolarHBondContact O-CB 3.48Å; A192-R196 PolarHBondContact O-N 3.43Å; E193-R196 WeakPolarHBondContact O-CB 3.47Å; E193-R196 PolarHBondContact O-N 3.24Å; E193-R196 IonicContact OE1-CZ 3.02Å; E193-R196 IonicContact OE1-NE 2.73Å; E193-R196 PolarHBondContact OE1-NE 3.34Å; E193-R196 IonicContact OE1-NH2 3.67Å; E193-R196 PolarHBondContact OE1-NH2 2.69Å; E193-R196 IonicContact OE2-CZ 3.13Å; E193-R196 IonicContact OE2-NE 2.72Å; E193-R196 PolarHBondContact OE2-NE 3.11Å; E193-R196 IonicContact OE2-NH2 3.53Å; H194-R196 VanDerWaalsContact C-N 3.32Å; H194-R196 PolarHBondContact O-N 3.2Å; R196-Q200 WeakPolarHBondContact O-CB 3.3Å; R196-Q200 PolarHBondContact O-N 3.25Å
197	I	98.8	Very high	98.3	Very high	26 Å²	26	77.1 Å²	77.1	13%	0.133	37%	0.366	C	S	.	.	H	α-helix	trans	-67.1	-44.4	178.8	-65.6	169.6	0	0	0	110.6	Y134 E193 H194 R199 Q200 W201	Y134-I197 HydrophobicContact CD1-CB 4.4Å; Y134-I197 HydrophobicContact CD1-CG2 3.92Å; Y134-I197 HydrophobicContact CD2-CG2 3.76Å; Y134-I197 HydrophobicContact CE1-CB 4.2Å; Y134-I197 HydrophobicContact CE1-CG2 3.87Å; Y134-I197 HydrophobicContact CE2-CG2 3.73Å; Y134-I197 HydrophobicContact CG-CG2 3.85Å; E193-I197 HydrophobicContact CG-CD1 4.01Å; E193-I197 WeakPolarHBondContact O-CG1 3.21Å; E193-I197 PolarHBondContact O-N 2.77Å; E193-I197 WeakPolarHBondContact OE1-CD1 3.4Å; H194-I197 PolarHBondContact O-N 3.42Å; I197-R199 PolarHBondContact O-N 3.16Å; I197-Q200 CarbonylContact O-C 3.59Å; I197-Q200 WeakPolarHBondContact O-CB 3.46Å; I197-Q200 PolarHBondContact O-N 2.84Å; I197-Q200 VanDerWaalsContact O-N 3.11Å; I197-W201 PolarHBondContact O-N 3.35Å
198	A	98.8	Very high	98.3	Very high	0 Å²	0	78.9 Å²	78.9	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-58.6	-48.3	178.8	0	0	0	0	0	111.4	V104 Y105 Y134 H194 Q200 W201 T202	V104-A198 HydrophobicContact CB-CB 3.79Å; V104-A198 HydrophobicContact CG1-CB 4.44Å; V104-A198 HydrophobicContact CG2-CB 3.55Å; Y105-A198 HydrophobicContact CE1-CB 4.35Å; Y134-A198 HydrophobicContact CD1-CB 4.17Å; H194-A198 WeakPolarHBondContact O-CB 3.43Å; H194-A198 PolarHBondContact O-N 3.23Å; A198-Q200 VanDerWaalsContact C-N 3.32Å; A198-Q200 PolarHBondContact O-N 3.38Å; A198-W201 PolarHBondContact O-N 2.79Å; A198-W201 VanDerWaalsContact O-N 3.16Å; A198-T202 PolarHBondContact O-N 3.34Å; A198-T202 PolarHBondContact O-OG1 3.42Å
199	R	98.8	Very high	98.3	Very high	126 Å²	126	76.7 Å²	76.7	48%	0.475	36%	0.362	S	S	.	.	H	α-helix	trans	-60	-39.8	173.2	-75	-176.2	-73	-96.2	-2.7	112.8	V104 D195 I197 W201 T202 K203	V104-R199 HydrophobicContact CB-CG 4.04Å; V104-R199 HydrophobicContact CG1-CG 4.44Å; V104-R199 WeakPolarHBondContact O-CG 3.38Å; D195-R199 WeakPolarHBondContact O-CB 3.42Å; D195-R199 WeakPolarHBondContact O-CG 3.45Å; D195-R199 PolarHBondContact O-N 2.83Å; D195-R199 PolarHBondContact O-NE 2.82Å; I197-R199 PolarHBondContact O-N 3.16Å; R199-W201 VanDerWaalsContact C-N 3.33Å; R199-W201 PolarHBondContact O-N 3.45Å; R199-T202 PolarHBondContact O-N 3.03Å; R199-K203 PolarHBondContact O-N 3.14Å
200	Q	98.8	Very high	98.3	Very high	96 Å²	96	74.9 Å²	74.9	45%	0.449	35%	0.345	S	S	.	.	H	α-helix	trans	-63.7	-39.8	176.3	-176.7	177.8	1.5	0	0	111.7	R196 I197 A198 R204	R196-Q200 WeakPolarHBondContact O-CB 3.3Å; R196-Q200 PolarHBondContact O-N 3.25Å; I197-Q200 CarbonylContact O-C 3.59Å; I197-Q200 WeakPolarHBondContact O-CB 3.46Å; I197-Q200 PolarHBondContact O-N 2.84Å; I197-Q200 VanDerWaalsContact O-N 3.11Å; A198-Q200 VanDerWaalsContact C-N 3.32Å; A198-Q200 PolarHBondContact O-N 3.38Å; Q200-R204 VanDerWaalsContact O-CB 3.27Å; Q200-R204 WeakPolarHBondContact O-CB 3.38Å; Q200-R204 PolarHBondContact O-N 2.86Å
201	W	98.8	Very high	98.3	Very high	82 Å²	82	74.6 Å²	74.6	31%	0.311	34%	0.341	S	S	.	.	H	α-helix	trans	-68.1	-43.5	175.6	-87.3	57.2	0	0	0	112	R132 Y134 I197 A198 R199 K203 R204 Y205	R132-W201 HydrophobicContact CB-CE3 4.44Å; R132-W201 HydrophobicContact CB-CZ3 4.19Å; Y134-W201 HydrophobicContact CD2-CD2 4.15Å; Y134-W201 AromaticContact CD2-CE2 3.89Å; Y134-W201 HydrophobicContact CD2-CZ2 4.14Å; Y134-W201 HydrophobicContact CG-CD2 4.42Å; Y134-W201 HydrophobicContact CG-CG 4.47Å; I197-W201 PolarHBondContact O-N 3.35Å; A198-W201 PolarHBondContact O-N 2.79Å; A198-W201 VanDerWaalsContact O-N 3.16Å; R199-W201 VanDerWaalsContact C-N 3.33Å; R199-W201 PolarHBondContact O-N 3.45Å; W201-K203 VanDerWaalsContact C-N 3.34Å; W201-K203 PolarHBondContact O-N 3.09Å; W201-R204 PolarHBondContact O-N 3.25Å; W201-Y205 HydrophobicContact CB-CD2 4.13Å; W201-Y205 HydrophobicContact CB-CE2 4.46Å; W201-Y205 AromaticContact CD2-CD2 3.89Å; W201-Y205 HydrophobicContact CD2-CD2 3.89Å; W201-Y205 AromaticContact CD2-CE2 3.58Å; W201-Y205 HydrophobicContact CD2-CE2 3.58Å; W201-Y205 AromaticContact CE3-CD2 3.75Å; W201-Y205 HydrophobicContact CE3-CD2 3.75Å; W201-Y205 AromaticContact CE3-CE2 3.7Å; W201-Y205 HydrophobicContact CE3-CE2 3.7Å; W201-Y205 HydrophobicContact CG-CD2 4.08Å; W201-Y205 AromaticContact CG-CE2 3.94Å; W201-Y205 HydrophobicContact CG-CE2 3.94Å; W201-Y205 HydrophobicContact CZ2-CE2 4.5Å; W201-Y205 HydrophobicContact CZ3-CE2 4.23Å; W201-Y205 WeakPolarHBondContact O-CD2 3.39Å; W201-Y205 PolarHBondContact O-N 2.92Å
202	T	98.8	Very high	98.4	Very high	7 Å²	7	72.3 Å²	72.3	4%	0.043	34%	0.335	C	S	.	.	H	α-helix	trans	-52.4	-53.4	173.2	-57.8	0	0	0	0	110.3	V104 Y105 F110 A198 R199 R204 A206	V104-T202 PolarHBondContact O-OG1 3.18Å; V104-T202 VanDerWaalsContact O-OG1 3.08Å; Y105-T202 WeakPolarHBondContact O-CG2 3.47Å; F110-T202 HydrophobicContact CZ-CG2 4.2Å; A198-T202 PolarHBondContact O-N 3.34Å; A198-T202 PolarHBondContact O-OG1 3.42Å; R199-T202 PolarHBondContact O-N 3.03Å; T202-R204 VanDerWaalsContact C-N 3.26Å; T202-R204 PolarHBondContact O-N 3.2Å; T202-A206 CarbonylContact O-C 3.52Å; T202-A206 WeakPolarHBondContact O-CA 3.38Å; T202-A206 WeakPolarHBondContact O-CB 3.39Å; T202-A206 PolarHBondContact O-N 3.33Å
203	K	98.7	Very high	98.3	Very high	164 Å²	164	72.3 Å²	72.3	71%	0.713	32%	0.318	S	S	*	.	H	α-helix	trans	-64.1	-26.6	178	-175.2	172.6	-178.2	176.2	0	114.1	R199 W201 T207	R199-K203 PolarHBondContact O-N 3.14Å; W201-K203 VanDerWaalsContact C-N 3.34Å; W201-K203 PolarHBondContact O-N 3.09Å; K203-T207 PolarHBondContact O-OG1 2.66Å
204	R	98.6	Very high	98.3	Very high	174 Å²	174	73.4 Å²	73.4	66%	0.657	32%	0.322	S	S	*	.	H	α-helix	trans	-88.1	-35	-175.8	-176.1	172.8	-179.7	175.2	1.5	113	Q200 W201 T202	Q200-R204 VanDerWaalsContact O-CB 3.27Å; Q200-R204 WeakPolarHBondContact O-CB 3.38Å; Q200-R204 PolarHBondContact O-N 2.86Å; W201-R204 PolarHBondContact O-N 3.25Å; T202-R204 VanDerWaalsContact C-N 3.26Å; T202-R204 PolarHBondContact O-N 3.2Å
205	Y	98.6	Very high	98.3	Very high	69 Å²	69	78.7 Å²	78.7	27%	0.271	35%	0.345	S	S	.	.	H	α-helix	trans	-119.6	-16	-167.5	-58.9	-60.9	0	0	0	113.9	T131 R132 W201	T131-Y205 VanDerWaalsContact CG2-O 3.29Å; T131-Y205 WeakPolarHBondContact CG2-O 3.38Å; R132-Y205 HydrophobicContact CB-CD2 4.18Å; R132-Y205 HydrophobicContact CB-CG 4.05Å; W201-Y205 HydrophobicContact CB-CD2 4.13Å; W201-Y205 HydrophobicContact CB-CE2 4.46Å; W201-Y205 AromaticContact CD2-CD2 3.89Å; W201-Y205 HydrophobicContact CD2-CD2 3.89Å; W201-Y205 AromaticContact CD2-CE2 3.58Å; W201-Y205 HydrophobicContact CD2-CE2 3.58Å; W201-Y205 AromaticContact CE3-CD2 3.75Å; W201-Y205 HydrophobicContact CE3-CD2 3.75Å; W201-Y205 AromaticContact CE3-CE2 3.7Å; W201-Y205 HydrophobicContact CE3-CE2 3.7Å; W201-Y205 HydrophobicContact CG-CD2 4.08Å; W201-Y205 AromaticContact CG-CE2 3.94Å; W201-Y205 HydrophobicContact CG-CE2 3.94Å; W201-Y205 HydrophobicContact CZ2-CE2 4.5Å; W201-Y205 HydrophobicContact CZ3-CE2 4.23Å; W201-Y205 WeakPolarHBondContact O-CD2 3.39Å; W201-Y205 PolarHBondContact O-N 2.92Å
206	A	98.1	Very high	98.2	Very high	5 Å²	5	83.4 Å²	83.4	4%	0.041	36%	0.364	C	S	.	.			trans	-123.8	10.4	-172.8	0	0	0	0	0	113.2	G108 V109 F110 T131 T202	G108-A206 CarbonylContact C-O 3.58Å; G108-A206 WeakPolarHBondContact CA-O 3.49Å; V109-A206 PolarHBondContact N-O 3.04Å; F110-A206 HydrophobicContact CD1-CB 4.05Å; F110-A206 HydrophobicContact CE1-CB 3.62Å; F110-A206 HydrophobicContact CE2-CB 4.29Å; F110-A206 HydrophobicContact CZ-CB 3.76Å; T131-A206 HydrophobicContact CG2-CB 3.81Å; T202-A206 CarbonylContact O-C 3.52Å; T202-A206 WeakPolarHBondContact O-CA 3.38Å; T202-A206 WeakPolarHBondContact O-CB 3.39Å; T202-A206 PolarHBondContact O-N 3.33Å
207	T	93.4	Very high	98.2	Very high	138 Å²	138	80.6 Å²	80.6	85%	0.847	36%	0.358	S	S	*	.			trans	-128.1	0	174.6	60.8	0	0	0	0	111.3	K203	K203-T207 PolarHBondContact O-OG1 2.66Å

Retrieved 207 of 207 residues in 1275 ms (Link to these results)

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