G4VB87_SCHMA Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB , UniProt , Accession G4VB87, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 299 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	51.9	Low	50.6	Low	231 Å²	231	157.5 Å²	157.5	100%	1.138	83%	0.831	S	S	*	*				0	102.2	0	-58.7	163.4	100.5	0	0	104.8
2	S	46.9	Very low	50.5	Low	114 Å²	114	159.3 Å²	159.3	80%	0.797	83%	0.827	S	S	*	*				73.1	124.4	68.7	-58.7	0	0	0	0	111.2
3	S	47.5	Very low	50.3	Low	103 Å²	103	163.2 Å²	163.2	72%	0.72	83%	0.825	S	S	*	*			cis	-158.3	164.4	-1.1	-79.8	0	0	0	0	112.2
4	S	51.2	Low	49.9	Very low	104 Å²	104	160.8 Å²	160.8	73%	0.727	82%	0.822	S	S	*	*			trans	9.4	163.7	137.8	-29.1	0	0	0	0	121.4
5	D	49.3	Very low	50.3	Low	138 Å²	138	161.8 Å²	161.8	74%	0.738	82%	0.822	S	S	*	*			cis	-162.5	161.8	14.1	-146.8	-21.1	0	0	0	114.9
6	S	49.8	Very low	49.9	Very low	88 Å²	88	160 Å²	160	62%	0.615	82%	0.815	S	S	*	*			trans	15.6	143.7	146.6	-67.2	0	0	0	0	123.3
7	R	55.6	Low	49.8	Very low	251 Å²	251	165.6 Å²	165.6	95%	0.947	82%	0.824	S	S	*	*				-165.6	163.3	100.3	-99	158.6	-161.3	-134.8	0.7	114.7
8	R	45	Very low	49.5	Very low	251 Å²	251	161.8 Å²	161.8	95%	0.947	82%	0.822	S	S	*	*			trans	-109.6	162.7	-168.4	-62.1	177.1	174.4	-178.1	-3	113.4
9	G	57.2	Low	49.5	Very low	75 Å²	75	164.1 Å²	164.1	77%	0.773	83%	0.826	S	S	*	*			trans	-150.4	122.6	157.1	0	0	0	0	0	113.2
10	V	48	Very low	49.4	Very low	139 Å²	139	160.8 Å²	160.8	84%	0.842	82%	0.819	S	S	*	*			trans	-149.8	130.8	176.7	176.4	0	0	0	0	111.2
11	R	54.4	Low	49.3	Very low	238 Å²	238	158.3 Å²	158.3	90%	0.898	82%	0.816	S	S	*	*			trans	-146.9	125.1	163.2	-70.4	-169.2	171.4	-177.1	-3.1	107.6
12	K	49.3	Very low	49.2	Very low	179 Å²	179	158.8 Å²	158.8	78%	0.778	81%	0.806	S	S	*	*				60.9	139.4	86.6	-78.2	-173.9	174.5	177.8	0	113
13	R	48.3	Very low	49.1	Very low	211 Å²	211	158.2 Å²	158.2	80%	0.796	80%	0.801	S	S	*	*			cis	-162.4	165	23.7	-137.9	168.2	-175.7	161	-4.5	111.6
14	T	44.3	Very low	49.3	Very low	129 Å²	129	159.8 Å²	159.8	79%	0.791	81%	0.807	S	S	*	*			trans	-113.5	158.9	167.3	45.4	0	0	0	0	111.5
15	H	56.4	Low	49	Very low	176 Å²	176	160.7 Å²	160.7	82%	0.815	81%	0.808	S	S	*	*			trans	-169.6	170	153.3	-111.5	-56.9	0	0	0	112.7
16	D	43.5	Very low	49.3	Very low	133 Å²	133	160 Å²	160	71%	0.711	81%	0.808	S	S	*	*			trans	-101.5	165	-162.4	-24.3	-108.7	0	0	0	114
17	R	48.7	Very low	49.2	Very low	256 Å²	256	162.2 Å²	162.2	97%	0.966	81%	0.813	S	S	*	*				-172.5	160.6	113.9	-101.4	165	-179.5	177.6	-0.5	113.3
18	A	43.1	Very low	48.8	Very low	97 Å²	97	154.5 Å²	154.5	80%	0.802	80%	0.798	S	S	*	*			trans	-112.4	173	-174.6	0	0	0	0	0	112.4
19	F	50.9	Low	49.1	Very low	205 Å²	205	150.2 Å²	150.2	90%	0.899	79%	0.793	S	S	*	*			trans	-138.5	150.2	167.4	-146.9	-103.2	0	0	0	113.2
20	S	47.1	Very low	48.8	Very low	97 Å²	97	151.6 Å²	151.6	68%	0.678	79%	0.789	S	S	*	*			trans	-81.4	172.8	178.2	-95	0	0	0	0	111.8
21	S	46.2	Very low	49.1	Very low	109 Å²	109	150 Å²	150	76%	0.762	78%	0.784	S	S	*	*			cis	-173.2	172.7	-15.7	53	0	0	0	0	108
22	R	51.5	Low	49.1	Very low	242 Å²	242	144.3 Å²	144.3	91%	0.913	78%	0.78	S	S	*	*				159.1	150.1	128	-171.7	165.4	-178.6	-177.9	-0.3	110.6
23	S	44	Very low	48.5	Very low	101 Å²	101	140.6 Å²	140.6	71%	0.706	78%	0.776	S	S	*	*			trans	-129.4	148.9	-175.8	174.1	0	0	0	0	111.2
24	T	51.8	Low	48.7	Very low	136 Å²	136	137.7 Å²	137.7	83%	0.834	78%	0.776	S	S	*	*			trans	-150.8	148	150.2	-9.5	0	0	0	0	110.7
25	T	44.6	Very low	48.5	Very low	124 Å²	124	135.7 Å²	135.7	76%	0.761	78%	0.781	S	S	*	*			trans	-82.2	171.7	174.5	51.3	0	0	0	0	110.8
26	V	54.7	Low	48.4	Very low	122 Å²	122	135.9 Å²	135.9	74%	0.739	78%	0.782	S	S	*	*			cis	-143.3	-165.3	26.4	-70.6	0	0	0	0	109.9
27	D	47.9	Very low	49	Very low	135 Å²	135	138.9 Å²	138.9	72%	0.722	79%	0.789	S	S	*	*			cis	-157	-161.6	4.9	-141.5	-62.9	0	0	0	112.9
28	S	48.9	Very low	49.4	Very low	89 Å²	89	132 Å²	132	62%	0.622	78%	0.777	S	S	*	*			trans	-61.1	130.2	-176.1	-61.1	0	0	0	0	119.9
29	L	49.6	Very low	50.1	Low	161 Å²	161	133.3 Å²	133.3	84%	0.843	78%	0.778	S	S	*	*				38.4	157.8	106.6	-69.7	168.2	0	0	0	121.5
30	P	51.7	Low	50.1	Low	105 Å²	105	128.7 Å²	128.7	68%	0.682	77%	0.771	S	S	*	*			cis	-141.2	-173.9	-13	35.9	-14.4	0	0	0	116.7
31	S	54.5	Low	50.4	Low	106 Å²	106	128.6 Å²	128.6	74%	0.741	77%	0.77	S	S	*	*			trans	92.6	122.1	145.2	-61.1	0	0	0	0	122.1
32	S	53.7	Low	50.6	Low	117 Å²	117	129.7 Å²	129.7	82%	0.818	77%	0.772	S	S	*	*			trans	61.3	147.9	154.9	-76.4	0	0	0	0	119.8
33	C	38.2	Very low	50.6	Low	101 Å²	101	126 Å²	126	68%	0.682	77%	0.765	S	S	*	*			cis	-162.3	142.5	-18.1	52.9	0	0	0	0	109.7
34	N	52.1	Low	50.9	Low	151 Å²	151	130.5 Å²	130.5	81%	0.807	77%	0.772	S	S	*	*			trans	165.4	114.6	144.5	-91.9	-38.2	0	0	0	111	Q36	N34-Q36 PolarHBondContact O-N 3.17Å; N34-Q36 VanDerWaalsContact O-N 3.17Å
35	G	40.1	Very low	50.5	Low	87 Å²	87	133.3 Å²	133.3	90%	0.897	77%	0.773	S	S	*	*			trans	-83.1	83.9	175.2	0	0	0	0	0	112.1	K37	G35-K37 PolarHBondContact O-N 3.5Å
36	Q	53.1	Low	50.7	Low	179 Å²	179	132.7 Å²	132.7	84%	0.836	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-78.5	118.6	167.9	-70.7	-173.3	-16.1	0	0	109.8	N34	N34-Q36 PolarHBondContact O-N 3.17Å; N34-Q36 VanDerWaalsContact O-N 3.17Å
37	K	56.9	Low	51	Low	196 Å²	196	136.2 Å²	136.2	85%	0.852	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-59.4	140.9	170.4	-89.2	179.2	172.8	175.5	0	109.5	G35	G35-K37 PolarHBondContact O-N 3.5Å
38	P	56.7	Low	52.1	Low	112 Å²	112	134.9 Å²	134.9	73%	0.727	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-59.6	143.1	166.2	27.8	-34.1	0	0	0	109.3	S40	P38-S40 PolarHBondContact O-N 3.46Å
39	P	57.9	Low	53.5	Low	124 Å²	124	133.9 Å²	133.9	81%	0.805	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-59.6	138.6	177.5	24.9	-33.4	0	0	0	110.3
40	S	51	Low	55.5	Low	109 Å²	109	128.4 Å²	128.4	76%	0.762	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-53.8	139.4	178.9	50.9	0	0	0	0	111.6	P38 V42	P38-S40 PolarHBondContact O-N 3.46Å; S40-V42 PolarHBondContact O-N 3.11Å; S40-V42 VanDerWaalsContact O-N 3.11Å
41	S	53.1	Low	57.5	Low	95 Å²	95	128.5 Å²	128.5	66%	0.664	74%	0.74	S	S	*	*			trans	-45.7	116.5	179.7	52	0	0	0	0	112.3	H43	S41-H43 VanDerWaalsContact C-N 3.33Å; S41-H43 PolarHBondContact O-N 2.87Å
42	V	51.3	Low	59.4	Low	131 Å²	131	123.6 Å²	123.6	79%	0.794	71%	0.706	S	S	*	*			trans	-64.7	94.6	169.6	-80.2	0	0	0	0	109.1	S40 F44	S40-V42 PolarHBondContact O-N 3.11Å; S40-V42 VanDerWaalsContact O-N 3.11Å; V42-F44 VanDerWaalsContact C-N 3.29Å; V42-F44 PolarHBondContact O-N 2.82Å
43	H	51.3	Low	61.5	Low	164 Å²	164	119.3 Å²	119.3	76%	0.759	67%	0.674	S	S	*	*			trans	-63.1	94.5	168.7	-84.3	-66.8	0	0	0	108.7	S41 K45	S41-H43 VanDerWaalsContact C-N 3.33Å; S41-H43 PolarHBondContact O-N 2.87Å; H43-K45 PolarHBondContact O-N 2.84Å
44	F	49.2	Very low	64.2	Low	197 Å²	197	119.7 Å²	119.7	86%	0.864	66%	0.664	S	S	*	*			trans	-56.1	95	155.6	-102.1	-91.6	0	0	0	107.3	V42 S46	V42-F44 VanDerWaalsContact C-N 3.29Å; V42-F44 PolarHBondContact O-N 2.82Å; F44-S46 PolarHBondContact O-N 3.22Å
45	K	45.1	Very low	66.4	Low	194 Å²	194	115 Å²	115	84%	0.843	64%	0.635	S	S	*	*			trans	-62.5	104.4	168.7	-72.1	-177	178.4	178.8	0	106.3	H43 K47	H43-K45 PolarHBondContact O-N 2.84Å; K45-K47 PolarHBondContact O-N 2.96Å
46	S	48.5	Very low	69.1	Low	112 Å²	112	110.9 Å²	110.9	78%	0.783	59%	0.592	S	S	*	*			trans	-53.2	128.3	166.6	51.2	0	0	0	0	107.5	F44 S48	F44-S46 PolarHBondContact O-N 3.22Å; S46-S48 PolarHBondContact O-N 3.38Å
47	K	59.8	Low	71.2	Confident	196 Å²	196	105.9 Å²	105.9	85%	0.852	57%	0.569	S	S	*	*			trans	-68.1	99.1	-172.1	-153.6	176.1	-172.4	-179	0	107.2	K45 M49	K45-K47 PolarHBondContact O-N 2.96Å; K47-M49 PolarHBondContact O-N 2.98Å
48	S	72.3	Confident	73.1	Confident	107 Å²	107	101.9 Å²	101.9	75%	0.748	55%	0.552	S	S	*	*			trans	-60.9	105.7	-175.1	-173.6	0	0	0	0	108.8	S46 S50	S46-S48 PolarHBondContact O-N 3.38Å; S48-S50 PolarHBondContact O-N 2.85Å
49	M	77.9	Confident	75	Confident	68 Å²	68	96.7 Å²	96.7	34%	0.335	52%	0.517	S	S	.	.			trans	-58.4	132.9	-174	-59.6	-70.3	-90.5	0	0	109.2	K47 L53 K54 Q57	K47-M49 PolarHBondContact O-N 2.98Å; M49-L53 HydrophobicContact CE-CD2 3.4Å; M49-L53 VanDerWaalsContact CE-CD2 3.4Å; M49-L53 HydrophobicContact CE-CG 3.73Å; M49-L53 HydrophobicContact SD-CD2 3.8Å; M49-K54 HydrophobicContact CB-CD 4.43Å; M49-K54 HydrophobicContact CB-CG 3.88Å; M49-K54 VanDerWaalsContact O-CE 3.28Å; M49-K54 WeakPolarHBondContact O-CE 3.1Å; M49-K54 PolarHBondContact O-NZ 2.89Å; M49-Q57 VanDerWaalsContact CE-OE1 3.22Å
50	S	90.6	Very high	76.9	Confident	46 Å²	46	92.1 Å²	92.1	32%	0.322	49%	0.486	S	S	.	.			trans	-59.7	157.9	178.9	58.7	0	0	0	0	110.9	S48 S52 L53 K54 Y81	S48-S50 PolarHBondContact O-N 2.85Å; S50-S52 WeakPolarHBondContact CB-OG 3.3Å; S50-S52 PolarHBondContact O-N 3.49Å; S50-S52 PolarHBondContact OG-OG 3.48Å; S50-L53 PolarHBondContact O-N 2.92Å; S50-L53 VanDerWaalsContact OG-CB 3.22Å; S50-L53 WeakPolarHBondContact OG-CB 3.25Å; S50-L53 PolarHBondContact OG-N 3.05Å; S50-L53 VanDerWaalsContact OG-N 3.11Å; S50-K54 WeakPolarHBondContact O-CB 3.47Å; S50-K54 WeakPolarHBondContact O-CG 3.46Å; S50-K54 PolarHBondContact O-N 2.72Å; S50-Y81 PolarHBondContact OG-OH 2.74Å
51	T	93.6	Very high	79.1	Confident	106 Å²	106	91.4 Å²	91.4	65%	0.65	48%	0.477	S	S	*	.	H	α-helix	trans	-56.7	-41.5	173.9	42.6	0	0	0	0	111.4	R55	T51-R55 VanDerWaalsContact O-CB 3.3Å; T51-R55 WeakPolarHBondContact O-CB 3.45Å; T51-R55 PolarHBondContact O-N 2.93Å
52	S	96.1	Very high	81.2	Confident	3 Å²	3	89.1 Å²	89.1	2%	0.021	46%	0.458	C	S	.	.	H	α-helix	trans	-57.3	-52.2	171.5	39.2	0	0	0	0	112.7	S50 K54 R55 I56 Y81 M108 Y110	S50-S52 WeakPolarHBondContact CB-OG 3.3Å; S50-S52 PolarHBondContact O-N 3.49Å; S50-S52 PolarHBondContact OG-OG 3.48Å; S52-K54 PolarHBondContact O-N 2.83Å; S52-R55 WeakPolarHBondContact O-CB 3.22Å; S52-R55 PolarHBondContact O-N 3.47Å; S52-R55 VanDerWaalsContact O-N 3.16Å; S52-I56 VanDerWaalsContact O-CG1 3.28Å; S52-I56 WeakPolarHBondContact O-CG1 3.42Å; S52-I56 PolarHBondContact O-N 2.76Å; S52-Y81 PolarHBondContact OG-OH 3.09Å; S52-M108 VanDerWaalsContact CB-O 3.25Å; S52-M108 WeakPolarHBondContact CB-O 3.35Å; S52-M108 PolarHBondContact OG-O 2.85Å; S52-Y110 WeakPolarHBondContact CA-O 3.49Å; S52-Y110 WeakPolarHBondContact CB-O 3.35Å
53	L	96.1	Very high	83.3	Confident	28 Å²	28	83 Å²	83	15%	0.147	42%	0.421	C	S	.	.	H	α-helix	trans	-67.3	-39.4	-177.2	-166.3	54.7	0	0	0	112.6	M49 S50 R55 I56 Q57 L80 Y81	M49-L53 HydrophobicContact CE-CD2 3.4Å; M49-L53 VanDerWaalsContact CE-CD2 3.4Å; M49-L53 HydrophobicContact CE-CG 3.73Å; M49-L53 HydrophobicContact SD-CD2 3.8Å; S50-L53 PolarHBondContact O-N 2.92Å; S50-L53 VanDerWaalsContact OG-CB 3.22Å; S50-L53 WeakPolarHBondContact OG-CB 3.25Å; S50-L53 PolarHBondContact OG-N 3.05Å; S50-L53 VanDerWaalsContact OG-N 3.11Å; L53-R55 VanDerWaalsContact C-N 3.3Å; L53-R55 PolarHBondContact O-N 3.25Å; L53-I56 PolarHBondContact O-N 2.89Å; L53-Q57 WeakPolarHBondContact O-CB 3.48Å; L53-Q57 VanDerWaalsContact O-CG 3.31Å; L53-Q57 WeakPolarHBondContact O-CG 3.28Å; L53-Q57 PolarHBondContact O-N 3.11Å; L53-L80 HydrophobicContact CD1-CB 3.68Å; L53-L80 HydrophobicContact CD1-CD1 3.76Å; L53-L80 HydrophobicContact CD1-CG 4.35Å; L53-Y81 HydrophobicContact CD1-CD2 4.38Å; L53-Y81 HydrophobicContact CD1-CE2 3.82Å; L53-Y81 HydrophobicContact CD2-CE2 4.5Å
54	K	96.3	Very high	85.4	Confident	109 Å²	109	81.4 Å²	81.4	47%	0.474	42%	0.415	S	S	.	.	H	α-helix	trans	-59.3	-41.2	171.7	-75.7	166.7	170.6	139.9	0	111.9	M49 S50 S52 K58	M49-K54 HydrophobicContact CB-CD 4.43Å; M49-K54 HydrophobicContact CB-CG 3.88Å; M49-K54 VanDerWaalsContact O-CE 3.28Å; M49-K54 WeakPolarHBondContact O-CE 3.1Å; M49-K54 PolarHBondContact O-NZ 2.89Å; S50-K54 WeakPolarHBondContact O-CB 3.47Å; S50-K54 WeakPolarHBondContact O-CG 3.46Å; S50-K54 PolarHBondContact O-N 2.72Å; S52-K54 PolarHBondContact O-N 2.83Å; K54-K58 PolarHBondContact O-N 3.22Å
55	R	97.6	Very high	87.6	Confident	53 Å²	53	76.4 Å²	76.4	20%	0.2	41%	0.405	C	S	.	.	H	α-helix	trans	-66.5	-44.4	177.9	172	62.9	-167.5	-94.7	-23.2	111.6	T51 S52 L53 K58 E59 Y110 P111 P145 L147	T51-R55 VanDerWaalsContact O-CB 3.3Å; T51-R55 WeakPolarHBondContact O-CB 3.45Å; T51-R55 PolarHBondContact O-N 2.93Å; S52-R55 WeakPolarHBondContact O-CB 3.22Å; S52-R55 PolarHBondContact O-N 3.47Å; S52-R55 VanDerWaalsContact O-N 3.16Å; L53-R55 VanDerWaalsContact C-N 3.3Å; L53-R55 PolarHBondContact O-N 3.25Å; R55-K58 WeakPolarHBondContact O-CB 3.36Å; R55-K58 PolarHBondContact O-N 2.83Å; R55-E59 IonicContact CZ-OE1 3.16Å; R55-E59 IonicContact NE-OE1 2.71Å; R55-E59 PolarHBondContact NE-OE1 3.4Å; R55-E59 IonicContact NH2-OE1 2.72Å; R55-E59 PolarHBondContact NH2-OE1 2.96Å; R55-E59 PolarHBondContact O-N 2.91Å; R55-Y110 HydrophobicContact CG-CD1 4.05Å; R55-Y110 HydrophobicContact CG-CE1 3.83Å; R55-P111 HydrophobicContact CG-CB 4.23Å; R55-P111 HydrophobicContact CG-CG 4.06Å; R55-P145 PolarHBondContact NH1-O 3.14Å; R55-L147 PolarHBondContact NH2-O 2.94Å
56	I	97.7	Very high	89.9	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-63.2	-44.2	176.1	-67.2	164.5	0	0	0	111	S52 L53 K58 E59 L60 L80 Y81 W83 F106 Y110	S52-I56 VanDerWaalsContact O-CG1 3.28Å; S52-I56 WeakPolarHBondContact O-CG1 3.42Å; S52-I56 PolarHBondContact O-N 2.76Å; L53-I56 PolarHBondContact O-N 2.89Å; I56-K58 VanDerWaalsContact C-N 3.3Å; I56-K58 PolarHBondContact O-N 2.9Å; I56-E59 PolarHBondContact O-N 3.35Å; I56-L60 PolarHBondContact O-N 3.49Å; I56-L80 HydrophobicContact CG2-CB 4.46Å; I56-L80 VanDerWaalsContact CG2-O 3.32Å; I56-L80 WeakPolarHBondContact CG2-O 3.44Å; I56-Y81 HydrophobicContact CD1-CD1 3.71Å; I56-Y81 HydrophobicContact CD1-CE1 3.73Å; I56-Y81 HydrophobicContact CD1-CG 4.4Å; I56-W83 HydrophobicContact CG2-CZ2 3.74Å; I56-F106 HydrophobicContact CD1-CB 3.69Å; I56-F106 HydrophobicContact CD1-CD1 3.95Å; I56-F106 HydrophobicContact CD1-CD2 4.33Å; I56-F106 HydrophobicContact CD1-CG 3.76Å; I56-F106 HydrophobicContact CG1-CB 4.49Å; I56-F106 HydrophobicContact CG1-CD1 3.8Å; I56-F106 HydrophobicContact CG1-CE1 4.04Å; I56-F106 HydrophobicContact CG1-CG 4.08Å; I56-Y110 HydrophobicContact CD1-CD1 4.37Å; I56-Y110 HydrophobicContact CG1-CD1 3.8Å; I56-Y110 HydrophobicContact CG1-CE1 4.17Å
57	Q	96.3	Very high	92.1	Very high	73 Å²	73	71.4 Å²	71.4	34%	0.341	38%	0.382	S	S	.	.	H	α-helix	trans	-62.4	-36.2	175.7	-73.9	-179	-53.8	0	0	112.6	M49 L53 T61 L80	M49-Q57 VanDerWaalsContact CE-OE1 3.22Å; L53-Q57 WeakPolarHBondContact O-CB 3.48Å; L53-Q57 VanDerWaalsContact O-CG 3.31Å; L53-Q57 WeakPolarHBondContact O-CG 3.28Å; L53-Q57 PolarHBondContact O-N 3.11Å; Q57-T61 PolarHBondContact O-N 2.74Å; Q57-T61 VanDerWaalsContact O-N 3.09Å; Q57-T61 PolarHBondContact O-OG1 3.03Å; Q57-L80 HydrophobicContact CG-CD1 3.85Å
58	K	97	Very high	93.6	Very high	113 Å²	113	62.5 Å²	62.5	49%	0.491	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-50.3	172.1	-167.4	-154.8	176.2	-62	0	110.7	K54 R55 I56 L60 T61 D62	K54-K58 PolarHBondContact O-N 3.22Å; R55-K58 WeakPolarHBondContact O-CB 3.36Å; R55-K58 PolarHBondContact O-N 2.83Å; I56-K58 VanDerWaalsContact C-N 3.3Å; I56-K58 PolarHBondContact O-N 2.9Å; K58-L60 VanDerWaalsContact C-N 3.29Å; K58-L60 PolarHBondContact O-N 2.94Å; K58-T61 CarbonylContact O-C 3.38Å; K58-T61 WeakPolarHBondContact O-CA 3.45Å; K58-T61 WeakPolarHBondContact O-CB 3.19Å; K58-T61 PolarHBondContact O-N 2.8Å; K58-D62 IonicContact NZ-OD1 3.5Å; K58-D62 PolarHBondContact NZ-OD1 2.9Å; K58-D62 IonicContact NZ-OD2 2.79Å; K58-D62 PolarHBondContact NZ-OD2 2.89Å; K58-D62 PolarHBondContact O-N 2.85Å
59	E	97.5	Very high	94.6	Very high	2 Å²	2	62 Å²	62	1%	0.009	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-31.9	-179.5	-75.3	-175.2	-117.7	0	0	113.5	R55 I56 D62 I63 Y110 T148 I149	R55-E59 IonicContact CZ-OE1 3.16Å; R55-E59 IonicContact NE-OE1 2.71Å; R55-E59 PolarHBondContact NE-OE1 3.4Å; R55-E59 IonicContact NH2-OE1 2.72Å; R55-E59 PolarHBondContact NH2-OE1 2.96Å; R55-E59 PolarHBondContact O-N 2.91Å; I56-E59 PolarHBondContact O-N 3.35Å; E59-D62 PolarHBondContact O-N 3.16Å; E59-I63 WeakPolarHBondContact O-CB 3.3Å; E59-I63 WeakPolarHBondContact O-CG1 3.48Å; E59-I63 PolarHBondContact O-N 3.47Å; E59-Y110 VanDerWaalsContact OE1-CE1 3.23Å; E59-Y110 WeakPolarHBondContact OE1-CE1 3.41Å; E59-Y110 PolarHBondContact OE1-OH 2.97Å; E59-Y110 PolarHBondContact OE2-OH 2.84Å; E59-T148 HydrophobicContact CG-CG2 4.2Å; E59-T148 WeakPolarHBondContact OE2-CA 3.39Å; E59-T148 WeakPolarHBondContact OE2-CB 3.44Å; E59-I149 PolarHBondContact OE2-N 3.42Å
60	L	97.1	Very high	95.2	Very high	28 Å²	28	62.3 Å²	62.3	15%	0.147	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-44.2	170.3	-177.8	56.3	0	0	0	111.3	I56 K58 M64 F74 P75 L80 W83	I56-L60 PolarHBondContact O-N 3.49Å; K58-L60 VanDerWaalsContact C-N 3.29Å; K58-L60 PolarHBondContact O-N 2.94Å; L60-M64 HydrophobicContact CD1-CG 4.2Å; L60-M64 HydrophobicContact CD1-SD 4.03Å; L60-M64 HydrophobicContact CG-SD 4.03Å; L60-M64 WeakPolarHBondContact O-CB 3.14Å; L60-M64 WeakPolarHBondContact O-CG 3.28Å; L60-M64 PolarHBondContact O-N 3.02Å; L60-F74 HydrophobicContact CD1-CD1 4.31Å; L60-P75 HydrophobicContact CD1-CG 4.34Å; L60-P75 HydrophobicContact CD2-CG 3.74Å; L60-L80 HydrophobicContact CD2-CD2 4.26Å; L60-W83 HydrophobicContact CB-CH2 3.83Å; L60-W83 HydrophobicContact CB-CZ2 3.79Å; L60-W83 HydrophobicContact CD1-CH2 4.09Å; L60-W83 HydrophobicContact CD1-CZ2 4.27Å; L60-W83 HydrophobicContact CD1-CZ3 4.48Å
61	T	96.8	Very high	95.5	Very high	94 Å²	94	60.7 Å²	60.7	58%	0.577	33%	0.33	S	S	*	.	H	α-helix	trans	-62.4	-44	175.2	-49.3	0	0	0	0	111.1	Q57 K58 M64 S65	Q57-T61 PolarHBondContact O-N 2.74Å; Q57-T61 VanDerWaalsContact O-N 3.09Å; Q57-T61 PolarHBondContact O-OG1 3.03Å; K58-T61 CarbonylContact O-C 3.38Å; K58-T61 WeakPolarHBondContact O-CA 3.45Å; K58-T61 WeakPolarHBondContact O-CB 3.19Å; K58-T61 PolarHBondContact O-N 2.8Å; T61-M64 PolarHBondContact O-N 3.44Å; T61-S65 WeakPolarHBondContact O-CB 3.42Å; T61-S65 PolarHBondContact O-N 3.04Å; T61-S65 VanDerWaalsContact O-N 3.08Å; T61-S65 PolarHBondContact O-OG 2.88Å
62	D	96.6	Very high	95.6	Very high	48 Å²	48	57.3 Å²	57.3	26%	0.257	31%	0.311	S	S	.	.	H	α-helix	trans	-59.5	-53.1	178.3	-60.4	-25.8	0	0	0	110.3	K58 E59 M64 S65 D66	K58-D62 IonicContact NZ-OD1 3.5Å; K58-D62 PolarHBondContact NZ-OD1 2.9Å; K58-D62 IonicContact NZ-OD2 2.79Å; K58-D62 PolarHBondContact NZ-OD2 2.89Å; K58-D62 PolarHBondContact O-N 2.85Å; E59-D62 PolarHBondContact O-N 3.16Å; D62-M64 VanDerWaalsContact C-N 3.35Å; D62-M64 PolarHBondContact O-N 3.01Å; D62-S65 PolarHBondContact O-N 3.02Å; D62-S65 PolarHBondContact O-OG 3.16Å; D62-D66 PolarHBondContact O-N 3.32Å
63	I	96.3	Very high	95.6	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-65.8	-32.8	-179.3	-73.8	167.3	0	0	0	112.7	E59 S65 P67 W83 I149 S150	E59-I63 WeakPolarHBondContact O-CB 3.3Å; E59-I63 WeakPolarHBondContact O-CG1 3.48Å; E59-I63 PolarHBondContact O-N 3.47Å; I63-S65 VanDerWaalsContact C-N 3.27Å; I63-S65 PolarHBondContact O-N 2.76Å; I63-P67 WeakPolarHBondContact O-CA 3.48Å; I63-W83 HydrophobicContact CD1-CH2 4.34Å; I63-W83 HydrophobicContact CD1-CZ3 3.88Å; I63-I149 HydrophobicContact CD1-CB 3.83Å; I63-I149 HydrophobicContact CD1-CG2 3.84Å; I63-S150 VanDerWaalsContact CG1-OG 3.25Å; I63-S150 WeakPolarHBondContact CG1-OG 3.49Å
64	M	94.5	Very high	95.6	Very high	130 Å²	130	60.8 Å²	60.8	64%	0.64	33%	0.325	S	S	*	.	H	α-helix	trans	-71.1	-22.4	172.5	-74.1	178.8	72.8	0	0	113	L60 T61 D62 F74	L60-M64 HydrophobicContact CD1-CG 4.2Å; L60-M64 HydrophobicContact CD1-SD 4.03Å; L60-M64 HydrophobicContact CG-SD 4.03Å; L60-M64 WeakPolarHBondContact O-CB 3.14Å; L60-M64 WeakPolarHBondContact O-CG 3.28Å; L60-M64 PolarHBondContact O-N 3.02Å; T61-M64 PolarHBondContact O-N 3.44Å; D62-M64 VanDerWaalsContact C-N 3.35Å; D62-M64 PolarHBondContact O-N 3.01Å; M64-F74 HydrophobicContact CG-CE1 4.08Å
65	S	95.6	Very high	95.7	Very high	92 Å²	92	57.2 Å²	57.2	64%	0.643	31%	0.313	S	S	*	.	H	α-helix	trans	-93.8	-32.3	178.9	70.1	0	0	0	0	114	T61 D62 I63	T61-S65 WeakPolarHBondContact O-CB 3.42Å; T61-S65 PolarHBondContact O-N 3.04Å; T61-S65 VanDerWaalsContact O-N 3.08Å; T61-S65 PolarHBondContact O-OG 2.88Å; D62-S65 PolarHBondContact O-N 3.02Å; D62-S65 PolarHBondContact O-OG 3.16Å; I63-S65 VanDerWaalsContact C-N 3.27Å; I63-S65 PolarHBondContact O-N 2.76Å
66	D	94.7	Very high	95.5	Very high	126 Å²	126	60.2 Å²	60.2	67%	0.674	32%	0.324	S	S	*	.	S	Bend	trans	-144.5	81	-177.9	-174.2	31.4	0	0	0	109	D62	D62-D66 PolarHBondContact O-N 3.32Å
67	P	93.3	Very high	95.3	Very high	75 Å²	75	63 Å²	63	49%	0.487	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-72.1	132	-176.9	27.6	-33.4	0	0	0	110.8	I63	I63-P67 WeakPolarHBondContact O-CA 3.48Å
68	P	92.5	Very high	95.1	Very high	8 Å²	8	67.5 Å²	67.5	5%	0.052	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-58.2	136.1	177.9	20.9	-31.2	0	0	0	111.6	N70 C71 L153 L154	P68-N70 PolarHBondContact O-N 3.28Å; P68-C71 HydrophobicContact CB-CB 4.08Å; P68-C71 HydrophobicContact CG-CB 3.73Å; P68-C71 WeakPolarHBondContact O-CA 3.32Å; P68-C71 WeakPolarHBondContact O-CB 3.31Å; P68-C71 PolarHBondContact O-N 3.07Å; P68-C71 VanDerWaalsContact O-O 3.05Å; P68-L153 HydrophobicContact CG-CD1 4.49Å; P68-L154 HydrophobicContact CB-CD1 4.41Å; P68-L154 HydrophobicContact CB-CD2 4.25Å; P68-L154 HydrophobicContact CB-CG 4.08Å
69	P	92.6	Very high	94.9	Very high	96 Å²	96	65 Å²	65	62%	0.623	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.5	137.2	179.5	-32.5	35.6	0	0	0	114	C71	P69-C71 PolarHBondContact O-N 3.22Å
70	N	91.3	Very high	94.8	Very high	75 Å²	75	66.8 Å²	66.8	40%	0.401	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	11.9	-177	-64.3	-18	0	0	0	115.3	P68 L88	P68-N70 PolarHBondContact O-N 3.28Å; N70-L88 HydrophobicContact CB-CB 4.1Å; N70-L88 PolarHBondContact O-N 3.22Å
71	C	95.4	Very high	94.9	Very high	12 Å²	12	66.7 Å²	66.7	8%	0.081	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	151.7	-174.8	-70.1	0	0	0	0	112.1	P68 P69 T86 L153 C157	P68-C71 HydrophobicContact CB-CB 4.08Å; P68-C71 HydrophobicContact CG-CB 3.73Å; P68-C71 WeakPolarHBondContact O-CA 3.32Å; P68-C71 WeakPolarHBondContact O-CB 3.31Å; P68-C71 PolarHBondContact O-N 3.07Å; P68-C71 VanDerWaalsContact O-O 3.05Å; P69-C71 PolarHBondContact O-N 3.22Å; C71-T86 CarbonylContact C-O 3.58Å; C71-T86 WeakPolarHBondContact CA-O 3.23Å; C71-L153 HydrophobicContact CB-CB 4.34Å; C71-L153 HydrophobicContact CB-CD1 4.35Å; C71-C157 PolarHBondContact SG-SG 2.98Å
72	S	95.6	Very high	94.9	Very high	36 Å²	36	65.4 Å²	65.4	25%	0.252	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152.9	167.2	58.5	0	0	0	0	110	S85 T86	S72-S85 CarbonylContact O-C 3.59Å; S72-S85 WeakPolarHBondContact O-CA 3.42Å; S72-S85 VanDerWaalsContact O-CB 3.31Å; S72-S85 WeakPolarHBondContact O-CB 3.34Å; S72-S85 PolarHBondContact O-OG 3.39Å; S72-T86 PolarHBondContact N-O 2.7Å; S72-T86 PolarHBondContact O-N 3.2Å
73	A	97.4	Very high	95	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	131.4	177.2	0	0	0	0	0	111.6	W83 V84 I104 I149 L153	A73-W83 HydrophobicContact CB-CE3 3.78Å; A73-W83 HydrophobicContact CB-CZ3 4.1Å; A73-V84 WeakPolarHBondContact CA-O 3.33Å; A73-I104 HydrophobicContact CB-CD1 4.43Å; A73-I149 HydrophobicContact CB-CG2 4.18Å; A73-L153 HydrophobicContact CB-CD1 3.92Å
74	F	96.1	Very high	95	Very high	104 Å²	104	65.1 Å²	65.1	46%	0.456	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	154.8	-174	-57.7	-73.2	0	0	0	112	L60 M64 W83 V84	L60-F74 HydrophobicContact CD1-CD1 4.31Å; M64-F74 HydrophobicContact CG-CE1 4.08Å; F74-W83 CarbonylContact O-C 3.33Å; F74-W83 WeakPolarHBondContact O-CA 3.3Å; F74-W83 VanDerWaalsContact O-CB 3.27Å; F74-W83 WeakPolarHBondContact O-CB 3.4Å; F74-V84 PolarHBondContact N-O 2.71Å; F74-V84 PolarHBondContact O-N 2.7Å
75	P	97.1	Very high	95.2	Very high	34 Å²	34	58.9 Å²	58.9	22%	0.221	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	143.5	174.8	-25.5	34.2	0	0	0	114.4	L60 G77 L80 E82	L60-P75 HydrophobicContact CD1-CG 4.34Å; L60-P75 HydrophobicContact CD2-CG 3.74Å; P75-G77 VanDerWaalsContact C-N 3.32Å; P75-G77 PolarHBondContact O-N 3.35Å; P75-L80 HydrophobicContact CB-CD2 3.96Å; P75-L80 HydrophobicContact CG-CD2 3.52Å; P75-E82 CarbonylContact C-O 3.55Å; P75-E82 WeakPolarHBondContact CA-O 3.41Å
76	R	94.2	Very high	95.2	Very high	116 Å²	116	56.2 Å²	56.2	44%	0.438	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	77.7	173.6	-175	176.7	-82.5	-76.3	6.5	108.9	E82 V84 D103	R76-E82 HydrophobicContact CB-CB 4.06Å; R76-E82 WeakPolarHBondContact CB-O 3.5Å; R76-E82 PolarHBondContact N-O 2.75Å; R76-V84 HydrophobicContact CB-CG2 4.17Å; R76-V84 HydrophobicContact CG-CG2 4.32Å; R76-V84 VanDerWaalsContact CZ-CG2 3.47Å; R76-D103 IonicContact CZ-OD1 3.2Å; R76-D103 IonicContact NE-OD1 3.56Å; R76-D103 IonicContact NH2-OD1 3.36Å; R76-D103 PolarHBondContact NH2-OD1 2.87Å; R76-D103 IonicContact NH2-OD2 3.99Å
77	G	93	Very high	95.4	Very high	57 Å²	57	50.2 Å²	50.2	59%	0.588	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	-140.9	-173.2	0	0	0	0	0	111.9	P75 N79	P75-G77 VanDerWaalsContact C-N 3.32Å; P75-G77 PolarHBondContact O-N 3.35Å; G77-N79 VanDerWaalsContact C-N 3.28Å; G77-N79 PolarHBondContact O-N 3.47Å
78	D	92.3	Very high	95.5	Very high	169 Å²	169	50.3 Å²	50.3	90%	0.904	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-16.7	-173.1	-61.4	-33.2	0	0	0	114.3	L80	D78-L80 PolarHBondContact O-N 2.94Å; D78-L80 VanDerWaalsContact O-N 3.16Å
79	N	93.8	Very high	95.7	Very high	60 Å²	60	50.2 Å²	50.2	32%	0.321	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	94.5	-179.2	-171.3	7.2	0	0	0	111.9	G77 Y81 E82	G77-N79 VanDerWaalsContact C-N 3.28Å; G77-N79 PolarHBondContact O-N 3.47Å; N79-Y81 PolarHBondContact O-N 3Å; N79-Y81 WeakPolarHBondContact OD1-CB 3.48Å; N79-Y81 PolarHBondContact OD1-N 3.31Å; N79-E82 HydrophobicContact CB-CB 4.49Å; N79-E82 VanDerWaalsContact ND2-CD 3.28Å; N79-E82 PolarHBondContact ND2-OE1 2.72Å; N79-E82 PolarHBondContact O-N 2.92Å
80	L	95.7	Very high	95.9	Very high	40 Å²	40	46.3 Å²	46.3	21%	0.209	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	-14.5	175.3	-64.2	179.5	0	0	0	114.8	L53 I56 Q57 L60 P75 D78 W83	L53-L80 HydrophobicContact CD1-CB 3.68Å; L53-L80 HydrophobicContact CD1-CD1 3.76Å; L53-L80 HydrophobicContact CD1-CG 4.35Å; I56-L80 HydrophobicContact CG2-CB 4.46Å; I56-L80 VanDerWaalsContact CG2-O 3.32Å; I56-L80 WeakPolarHBondContact CG2-O 3.44Å; Q57-L80 HydrophobicContact CG-CD1 3.85Å; L60-L80 HydrophobicContact CD2-CD2 4.26Å; P75-L80 HydrophobicContact CB-CD2 3.96Å; P75-L80 HydrophobicContact CG-CD2 3.52Å; D78-L80 PolarHBondContact O-N 2.94Å; D78-L80 VanDerWaalsContact O-N 3.16Å; L80-W83 VanDerWaalsContact O-CD1 3.29Å; L80-W83 PolarHBondContact O-NE1 2.89Å
81	Y	97.6	Very high	96.2	Very high	26 Å²	26	50.2 Å²	50.2	10%	0.102	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-5.7	174.7	-69.4	-90.6	0	0	0	114.3	S50 S52 L53 I56 N79 F106 M108	S50-Y81 PolarHBondContact OG-OH 2.74Å; S52-Y81 PolarHBondContact OG-OH 3.09Å; L53-Y81 HydrophobicContact CD1-CD2 4.38Å; L53-Y81 HydrophobicContact CD1-CE2 3.82Å; L53-Y81 HydrophobicContact CD2-CE2 4.5Å; I56-Y81 HydrophobicContact CD1-CD1 3.71Å; I56-Y81 HydrophobicContact CD1-CE1 3.73Å; I56-Y81 HydrophobicContact CD1-CG 4.4Å; N79-Y81 PolarHBondContact O-N 3Å; N79-Y81 WeakPolarHBondContact OD1-CB 3.48Å; N79-Y81 PolarHBondContact OD1-N 3.31Å; Y81-F106 HydrophobicContact CD1-CB 3.95Å; Y81-F106 WeakPolarHBondContact O-CD2 3.27Å; Y81-F106 PolarHBondContact O-N 3.29Å; Y81-M108 HydrophobicContact CD1-CE 4.04Å; Y81-M108 HydrophobicContact CD1-SD 4.44Å; Y81-M108 HydrophobicContact CD2-CE 3.83Å; Y81-M108 HydrophobicContact CE1-CE 3.9Å; Y81-M108 HydrophobicContact CE1-SD 3.75Å; Y81-M108 HydrophobicContact CE2-CE 3.66Å; Y81-M108 HydrophobicContact CE2-SD 4.04Å; Y81-M108 HydrophobicContact CG-CE 4.01Å; Y81-M108 VanDerWaalsContact CZ-SD 3.5Å; Y81-M108 PolarHBondContact OH-SD 3.44Å
82	E	98	Very high	96.2	Very high	67 Å²	67	53.3 Å²	53.3	31%	0.313	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	122.1	174.9	-73.2	168.2	-137.1	0	0	108.5	P75 R76 N79	P75-E82 CarbonylContact C-O 3.55Å; P75-E82 WeakPolarHBondContact CA-O 3.41Å; R76-E82 HydrophobicContact CB-CB 4.06Å; R76-E82 WeakPolarHBondContact CB-O 3.5Å; R76-E82 PolarHBondContact N-O 2.75Å; N79-E82 HydrophobicContact CB-CB 4.49Å; N79-E82 VanDerWaalsContact ND2-CD 3.28Å; N79-E82 PolarHBondContact ND2-OE1 2.72Å; N79-E82 PolarHBondContact O-N 2.92Å
83	W	98.2	Very high	96.3	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	151.2	177.8	-71.5	30.2	0	0	0	110.3	I56 L60 I63 A73 F74 L80 I104 F106 I149	I56-W83 HydrophobicContact CG2-CZ2 3.74Å; L60-W83 HydrophobicContact CB-CH2 3.83Å; L60-W83 HydrophobicContact CB-CZ2 3.79Å; L60-W83 HydrophobicContact CD1-CH2 4.09Å; L60-W83 HydrophobicContact CD1-CZ2 4.27Å; L60-W83 HydrophobicContact CD1-CZ3 4.48Å; I63-W83 HydrophobicContact CD1-CH2 4.34Å; I63-W83 HydrophobicContact CD1-CZ3 3.88Å; A73-W83 HydrophobicContact CB-CE3 3.78Å; A73-W83 HydrophobicContact CB-CZ3 4.1Å; F74-W83 CarbonylContact O-C 3.33Å; F74-W83 WeakPolarHBondContact O-CA 3.3Å; F74-W83 VanDerWaalsContact O-CB 3.27Å; F74-W83 WeakPolarHBondContact O-CB 3.4Å; L80-W83 VanDerWaalsContact O-CD1 3.29Å; L80-W83 PolarHBondContact O-NE1 2.89Å; W83-I104 HydrophobicContact CB-CB 4.16Å; W83-I104 PolarHBondContact N-O 3.14Å; W83-I104 PolarHBondContact O-N 2.65Å; W83-F106 HydrophobicContact CB-CE2 4.26Å; W83-F106 AromaticContact CD1-CE2 3.51Å; W83-F106 AromaticContact CD2-CE2 3.78Å; W83-F106 HydrophobicContact CD2-CE2 3.78Å; W83-F106 HydrophobicContact CD2-CZ 4.06Å; W83-F106 AromaticContact CE2-CE2 3.7Å; W83-F106 AromaticContact CE2-CZ 3.88Å; W83-F106 HydrophobicContact CE3-CZ 4.47Å; W83-F106 AromaticContact CG-CE2 3.65Å; W83-F106 HydrophobicContact CG-CE2 3.65Å; W83-F106 HydrophobicContact CG-CZ 4.38Å; W83-F106 HydrophobicContact CZ2-CE2 4.38Å; W83-F106 HydrophobicContact CZ2-CZ 4.13Å; W83-F106 AromaticContact NE1-CE2 3.52Å; W83-I149 HydrophobicContact CZ3-CG2 4.42Å
84	V	97.5	Very high	96.3	Very high	43 Å²	43	53 Å²	53	26%	0.261	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139.3	166	-171.2	0	0	0	0	107.9	A73 F74 R76	A73-V84 WeakPolarHBondContact CA-O 3.33Å; F74-V84 PolarHBondContact N-O 2.71Å; F74-V84 PolarHBondContact O-N 2.7Å; R76-V84 HydrophobicContact CB-CG2 4.17Å; R76-V84 HydrophobicContact CG-CG2 4.32Å; R76-V84 VanDerWaalsContact CZ-CG2 3.47Å
85	S	97.6	Very high	96.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	145.3	171.3	-179.4	0	0	0	0	111	S72 F101 L102 L153	S72-S85 CarbonylContact O-C 3.59Å; S72-S85 WeakPolarHBondContact O-CA 3.42Å; S72-S85 VanDerWaalsContact O-CB 3.31Å; S72-S85 WeakPolarHBondContact O-CB 3.34Å; S72-S85 PolarHBondContact O-OG 3.39Å; S85-F101 CarbonylContact O-C 3.49Å; S85-F101 WeakPolarHBondContact O-CA 3.4Å; S85-L102 PolarHBondContact N-O 2.86Å; S85-L102 PolarHBondContact O-N 2.69Å; S85-L153 VanDerWaalsContact OG-CD2 3.31Å; S85-L153 WeakPolarHBondContact OG-CD2 3.41Å
86	T	96.6	Very high	96.4	Very high	36 Å²	36	52 Å²	52	22%	0.221	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.6	172.2	-51.9	0	0	0	0	108.2	C71 S72 I99 F100 F101	C71-T86 CarbonylContact C-O 3.58Å; C71-T86 WeakPolarHBondContact CA-O 3.23Å; S72-T86 PolarHBondContact N-O 2.7Å; S72-T86 PolarHBondContact O-N 3.2Å; T86-I99 HydrophobicContact CG2-CG2 3.5Å; T86-F100 WeakPolarHBondContact CA-O 3.48Å; T86-F101 HydrophobicContact CG2-CD1 4.22Å; T86-F101 HydrophobicContact CG2-CE1 3.93Å; T86-F101 WeakPolarHBondContact OG1-CE1 3.23Å
87	L	97	Very high	96.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.6	178.1	-178	157.5	0	0	0	108.4	F100 L102 I156 C157 L160	L87-F100 HydrophobicContact CB-CB 4.45Å; L87-F100 HydrophobicContact CD2-CB 4.5Å; L87-F100 HydrophobicContact CD2-CD2 4.18Å; L87-F100 PolarHBondContact N-O 3.07Å; L87-F100 PolarHBondContact O-N 3.03Å; L87-L102 HydrophobicContact CB-CD1 3.88Å; L87-I156 HydrophobicContact CD1-CB 4.35Å; L87-I156 HydrophobicContact CD1-CG2 3.76Å; L87-C157 VanDerWaalsContact CD1-SG 3.55Å; L87-L160 HydrophobicContact CD1-CD1 4.36Å; L87-L160 HydrophobicContact CD2-CD1 3.57Å
88	L	96.3	Very high	96.7	Very high	77 Å²	77	47 Å²	47	40%	0.403	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.6	171.4	-51.9	178.4	0	0	0	108.9	N70 G98 I99	N70-L88 HydrophobicContact CB-CB 4.1Å; N70-L88 PolarHBondContact O-N 3.22Å; L88-G98 WeakPolarHBondContact CA-O 3.49Å; L88-I99 HydrophobicContact CD2-CG1 4Å
89	G	97	Very high	96.9	Very high	6 Å²	6	40.9 Å²	40.9	6%	0.062	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-57.7	133.2	-176.9	0	0	0	0	0	112.5	Y95 G98	G89-Y95 WeakPolarHBondContact CA-O 3.45Å; G89-G98 PolarHBondContact N-O 3.28Å
90	P	97.3	Very high	97.1	Very high	14 Å²	14	38.1 Å²	38.1	9%	0.091	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-57.3	139.9	-175	-25.4	33.5	0	0	0	113.4	S93 L160	P90-S93 VanDerWaalsContact O-CB 3.27Å; P90-S93 WeakPolarHBondContact O-CB 3.43Å; P90-S93 PolarHBondContact O-N 3.41Å; P90-S93 VanDerWaalsContact O-N 3.13Å; P90-S93 PolarHBondContact O-OG 3.29Å; P90-L160 HydrophobicContact CG-CB 4.18Å
91	Q	96	Very high	97.2	Very high	157 Å²	157	39.1 Å²	39.1	73%	0.734	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	139.2	174.1	-66.9	173.2	4.8	0	0	110.4	S93	Q91-S93 PolarHBondContact O-N 3.27Å
92	G	95.8	Very high	97.2	Very high	76 Å²	76	37.9 Å²	37.9	78%	0.784	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.5	-8	-172.6	0	0	0	0	0	115	E96	G92-E96 PolarHBondContact N-OE2 3.04Å
93	S	97.5	Very high	97.2	Very high	17 Å²	17	35.2 Å²	35.2	12%	0.119	22%	0.217	C	C	.	.	S	Bend	trans	-87.2	165.3	177.3	80.8	0	0	0	0	112.4	P90 Q91 Y95 E96	P90-S93 VanDerWaalsContact O-CB 3.27Å; P90-S93 WeakPolarHBondContact O-CB 3.43Å; P90-S93 PolarHBondContact O-N 3.41Å; P90-S93 VanDerWaalsContact O-N 3.13Å; P90-S93 PolarHBondContact O-OG 3.29Å; Q91-S93 PolarHBondContact O-N 3.27Å; S93-Y95 PolarHBondContact O-N 2.82Å; S93-Y95 VanDerWaalsContact O-N 3.11Å; S93-Y95 PolarHBondContact OG-N 2.93Å; S93-Y95 VanDerWaalsContact OG-N 3.12Å; S93-E96 WeakPolarHBondContact O-CB 3.44Å; S93-E96 PolarHBondContact O-N 2.99Å; S93-E96 PolarHBondContact OG-N 2.87Å
94	V	98.3	Very high	97.2	Very high	14 Å²	14	35.2 Å²	35.2	9%	0.085	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-7.4	171.1	-61.8	0	0	0	0	113.9	D185 A188 R189 T192	V94-D185 HydrophobicContact CG1-CB 3.55Å; V94-A188 HydrophobicContact CB-CB 3.77Å; V94-A188 HydrophobicContact CG1-CB 4.48Å; V94-A188 HydrophobicContact CG2-CB 3.53Å; V94-R189 HydrophobicContact CB-CG 4.14Å; V94-R189 WeakPolarHBondContact O-CA 3.34Å; V94-R189 WeakPolarHBondContact O-CG 3.37Å; V94-T192 PolarHBondContact O-OG1 3.5Å
95	Y	98.2	Very high	97.3	Very high	6 Å²	6	36.4 Å²	36.4	2%	0.024	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-1.4	-179.9	-49	-68.2	0	0	0	112.8	G89 S93 G97 G98 F100 I123 Y124 H125 L160 A188 T192	G89-Y95 WeakPolarHBondContact CA-O 3.45Å; S93-Y95 PolarHBondContact O-N 2.82Å; S93-Y95 VanDerWaalsContact O-N 3.11Å; S93-Y95 PolarHBondContact OG-N 2.93Å; S93-Y95 VanDerWaalsContact OG-N 3.12Å; Y95-G97 PolarHBondContact O-N 2.9Å; Y95-G98 PolarHBondContact O-N 3.09Å; Y95-F100 HydrophobicContact CD1-CZ 4.07Å; Y95-F100 HydrophobicContact CG-CZ 4.32Å; Y95-I123 HydrophobicContact CD1-CD1 3.84Å; Y95-I123 HydrophobicContact CD1-CG1 3.96Å; Y95-I123 HydrophobicContact CE1-CD1 3.78Å; Y95-I123 HydrophobicContact CE1-CG1 3.66Å; Y95-I123 HydrophobicContact CG-CD1 4.45Å; Y95-Y124 PolarHBondContact OH-O 3.03Å; Y95-H125 AromaticContact CE2-CD2 3.97Å; Y95-H125 AromaticContact CZ-CD2 3.77Å; Y95-H125 PolarHBondContact OH-CD2 3.34Å; Y95-H125 VanDerWaalsContact OH-CD2 3.23Å; Y95-L160 HydrophobicContact CD2-CB 3.94Å; Y95-L160 HydrophobicContact CD2-CD2 4.34Å; Y95-L160 VanDerWaalsContact CD2-O 3.24Å; Y95-L160 WeakPolarHBondContact CD2-O 3.46Å; Y95-L160 HydrophobicContact CE2-CB 4.22Å; Y95-L160 HydrophobicContact CE2-CD2 4.2Å; Y95-L160 WeakPolarHBondContact CE2-O 3.46Å; Y95-A188 HydrophobicContact CE1-CB 4.26Å; Y95-T192 WeakPolarHBondContact O-CG2 3.41Å
96	E	97.1	Very high	97.3	Very high	109 Å²	109	37 Å²	37	51%	0.509	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	136.4	-178.1	-175.1	173.4	168.4	0	0	112.3	G92 S93 G98	G92-E96 PolarHBondContact N-OE2 3.04Å; S93-E96 WeakPolarHBondContact O-CB 3.44Å; S93-E96 PolarHBondContact O-N 2.99Å; S93-E96 PolarHBondContact OG-N 2.87Å; E96-G98 PolarHBondContact O-N 2.81Å
97	G	95.7	Very high	97.3	Very high	69 Å²	69	37.1 Å²	37.1	71%	0.711	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.2	-9.4	-175.4	0	0	0	0	0	114.9	Y95	Y95-G97 PolarHBondContact O-N 2.9Å
98	G	97.1	Very high	97.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.01	26%	0.255	C	S	.	.			trans	-75.8	146.8	173.7	0	0	0	0	0	113.7	L88 G89 Y95 E96 A196	L88-G98 WeakPolarHBondContact CA-O 3.49Å; G89-G98 PolarHBondContact N-O 3.28Å; Y95-G98 PolarHBondContact O-N 3.09Å; E96-G98 PolarHBondContact O-N 2.81Å; G98-A196 CarbonylContact C-O 3.51Å; G98-A196 WeakPolarHBondContact CA-O 3.32Å
99	I	97.2	Very high	97.3	Very high	40 Å²	40	44.5 Å²	44.5	21%	0.205	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112.1	172.2	-54.7	-176.5	0	0	0	108.3	T86 L88 F101 T121 A196 S198	T86-I99 HydrophobicContact CG2-CG2 3.5Å; L88-I99 HydrophobicContact CD2-CG1 4Å; I99-F101 HydrophobicContact CG2-CE1 4.32Å; I99-F101 HydrophobicContact CG2-CE2 4.18Å; I99-F101 HydrophobicContact CG2-CZ 3.9Å; I99-T121 PolarHBondContact O-OG1 2.64Å; I99-A196 PolarHBondContact N-O 3.36Å; I99-S198 WeakPolarHBondContact CD1-OG 3.4Å
100	F	97.8	Very high	97.3	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.9	-176.3	-59.3	-85.9	0	0	0	110.2	T86 L87 Y95 F119 T121 I123 T192 A196	T86-F100 WeakPolarHBondContact CA-O 3.48Å; L87-F100 HydrophobicContact CB-CB 4.45Å; L87-F100 HydrophobicContact CD2-CB 4.5Å; L87-F100 HydrophobicContact CD2-CD2 4.18Å; L87-F100 PolarHBondContact N-O 3.07Å; L87-F100 PolarHBondContact O-N 3.03Å; Y95-F100 HydrophobicContact CD1-CZ 4.07Å; Y95-F100 HydrophobicContact CG-CZ 4.32Å; F100-F119 HydrophobicContact CB-CD1 4.33Å; F100-F119 HydrophobicContact CB-CE1 3.9Å; F100-F119 HydrophobicContact CD1-CD1 4.4Å; F100-F119 HydrophobicContact CD1-CE1 4.13Å; F100-F119 HydrophobicContact CG-CE1 4.19Å; F100-T121 HydrophobicContact CD1-CG2 3.77Å; F100-T121 HydrophobicContact CE1-CG2 4.2Å; F100-I123 HydrophobicContact CD1-CB 4.44Å; F100-I123 HydrophobicContact CD1-CD1 3.93Å; F100-I123 HydrophobicContact CD1-CG1 4.39Å; F100-I123 HydrophobicContact CE1-CB 4.16Å; F100-I123 HydrophobicContact CE1-CD1 3.61Å; F100-I123 HydrophobicContact CE1-CG1 3.82Å; F100-I123 HydrophobicContact CZ-CD1 4.19Å; F100-T192 HydrophobicContact CZ-CG2 4.12Å; F100-A196 HydrophobicContact CD1-CB 4.07Å; F100-A196 HydrophobicContact CE1-CB 3.59Å; F100-A196 HydrophobicContact CE2-CB 4.26Å; F100-A196 HydrophobicContact CZ-CB 3.7Å
101	F	97	Very high	97.3	Very high	61 Å²	61	44.3 Å²	44.3	27%	0.268	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140.3	174	-62.3	-71.3	0	0	0	110.6	S85 T86 I99 K120 T121 Y201	S85-F101 CarbonylContact O-C 3.49Å; S85-F101 WeakPolarHBondContact O-CA 3.4Å; T86-F101 HydrophobicContact CG2-CD1 4.22Å; T86-F101 HydrophobicContact CG2-CE1 3.93Å; T86-F101 WeakPolarHBondContact OG1-CE1 3.23Å; I99-F101 HydrophobicContact CG2-CE1 4.32Å; I99-F101 HydrophobicContact CG2-CE2 4.18Å; I99-F101 HydrophobicContact CG2-CZ 3.9Å; F101-K120 HydrophobicContact CB-CB 4.2Å; F101-K120 WeakPolarHBondContact O-CB 3.26Å; F101-K120 PolarHBondContact O-N 3.04Å; F101-T121 PolarHBondContact N-OG1 2.82Å; F101-T121 PolarHBondContact O-N 2.87Å; F101-Y201 HydrophobicContact CD2-CD2 4.03Å; F101-Y201 HydrophobicContact CD2-CE2 4.46Å; F101-Y201 HydrophobicContact CD2-CG 4.42Å; F101-Y201 AromaticContact CE2-CD2 3.89Å; F101-Y201 HydrophobicContact CE2-CD2 3.89Å; F101-Y201 HydrophobicContact CE2-CG 4.17Å
102	L	98.3	Very high	97.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.4	176.5	-55.2	89.9	0	0	0	110.4	S85 L87 V117 I118 F119 I134 I156	S85-L102 PolarHBondContact N-O 2.86Å; S85-L102 PolarHBondContact O-N 2.69Å; L87-L102 HydrophobicContact CB-CD1 3.88Å; L102-V117 HydrophobicContact CB-CG1 4.32Å; L102-V117 HydrophobicContact CD2-CG1 3.7Å; L102-I118 CarbonylContact C-O 3.49Å; L102-I118 WeakPolarHBondContact CA-O 3.36Å; L102-F119 HydrophobicContact CD2-CD2 3.74Å; L102-F119 HydrophobicContact CD2-CE2 3.56Å; L102-F119 HydrophobicContact CD2-CG 4.3Å; L102-F119 HydrophobicContact CD2-CZ 3.98Å; L102-F119 HydrophobicContact CG-CD1 4.48Å; L102-F119 HydrophobicContact CG-CD2 4.25Å; L102-F119 HydrophobicContact CG-CE2 4.34Å; L102-F119 HydrophobicContact CG-CG 4.32Å; L102-F119 HydrophobicContact CG-CZ 4.49Å; L102-I134 HydrophobicContact CD2-CD1 4.34Å; L102-I156 HydrophobicContact CD2-CD1 4.18Å; L102-I156 HydrophobicContact CD2-CG2 4.47Å
103	D	98	Very high	97.4	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.064	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	133.4	164.8	-83.8	-26.8	0	0	0	109.5	R76 V117 I118 K120	R76-D103 IonicContact CZ-OD1 3.2Å; R76-D103 IonicContact NE-OD1 3.56Å; R76-D103 IonicContact NH2-OD1 3.36Å; R76-D103 PolarHBondContact NH2-OD1 2.87Å; R76-D103 IonicContact NH2-OD2 3.99Å; D103-V117 WeakPolarHBondContact O-CA 3.32Å; D103-I118 PolarHBondContact N-O 2.71Å; D103-I118 PolarHBondContact O-N 2.77Å; D103-K120 HydrophobicContact CB-CD 4.07Å; D103-K120 HydrophobicContact CB-CG 4.3Å; D103-K120 VanDerWaalsContact OD2-CD 3.23Å; D103-K120 WeakPolarHBondContact OD2-CD 3.41Å; D103-K120 VanDerWaalsContact OD2-CE 3.23Å; D103-K120 WeakPolarHBondContact OD2-CE 3.23Å; D103-K120 IonicContact OD2-NZ 2.64Å; D103-K120 PolarHBondContact OD2-NZ 2.84Å
104	I	98.5	Very high	97.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.2	177.3	-59.3	177.2	0	0	0	108.1	A73 W83 F106 P115 K116 V117 I149 L153	A73-I104 HydrophobicContact CB-CD1 4.43Å; W83-I104 HydrophobicContact CB-CB 4.16Å; W83-I104 PolarHBondContact N-O 3.14Å; W83-I104 PolarHBondContact O-N 2.65Å; I104-F106 HydrophobicContact CG2-CD2 4.42Å; I104-F106 HydrophobicContact CG2-CE2 3.9Å; I104-F106 HydrophobicContact CG2-CZ 4.12Å; I104-P115 HydrophobicContact CG2-CB 4.1Å; I104-K116 WeakPolarHBondContact CA-O 3.16Å; I104-V117 HydrophobicContact CG1-CG1 4.2Å; I104-V117 HydrophobicContact CG1-CG2 4.24Å; I104-V117 HydrophobicContact CG2-CG2 4.48Å; I104-I149 HydrophobicContact CD1-CG2 3.96Å; I104-I149 HydrophobicContact CG2-CD1 3.86Å; I104-L153 HydrophobicContact CD1-CD2 4.36Å
105	H	98.2	Very high	97.4	Very high	69 Å²	69	45.8 Å²	45.8	32%	0.319	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126	178	-68.3	55	0	0	0	110.7	P115 K116	H105-P115 CarbonylContact O-C 3.56Å; H105-P115 WeakPolarHBondContact O-CA 3.1Å; H105-K116 HydrophobicContact CB-CB 4.37Å; H105-K116 PolarHBondContact N-O 2.88Å; H105-K116 PolarHBondContact O-N 3.34Å
106	F	98.1	Very high	97.4	Very high	13 Å²	13	51.9 Å²	51.9	6%	0.057	27%	0.266	C	S	.	.			trans	-94.8	135.1	176.3	-58.7	-98.9	0	0	0	110.2	I56 Y81 W83 I104 Y110 P115 I149	I56-F106 HydrophobicContact CD1-CB 3.69Å; I56-F106 HydrophobicContact CD1-CD1 3.95Å; I56-F106 HydrophobicContact CD1-CD2 4.33Å; I56-F106 HydrophobicContact CD1-CG 3.76Å; I56-F106 HydrophobicContact CG1-CB 4.49Å; I56-F106 HydrophobicContact CG1-CD1 3.8Å; I56-F106 HydrophobicContact CG1-CE1 4.04Å; I56-F106 HydrophobicContact CG1-CG 4.08Å; Y81-F106 HydrophobicContact CD1-CB 3.95Å; Y81-F106 WeakPolarHBondContact O-CD2 3.27Å; Y81-F106 PolarHBondContact O-N 3.29Å; W83-F106 HydrophobicContact CB-CE2 4.26Å; W83-F106 AromaticContact CD1-CE2 3.51Å; W83-F106 AromaticContact CD2-CE2 3.78Å; W83-F106 HydrophobicContact CD2-CE2 3.78Å; W83-F106 HydrophobicContact CD2-CZ 4.06Å; W83-F106 AromaticContact CE2-CE2 3.7Å; W83-F106 AromaticContact CE2-CZ 3.88Å; W83-F106 HydrophobicContact CE3-CZ 4.47Å; W83-F106 AromaticContact CG-CE2 3.65Å; W83-F106 HydrophobicContact CG-CE2 3.65Å; W83-F106 HydrophobicContact CG-CZ 4.38Å; W83-F106 HydrophobicContact CZ2-CE2 4.38Å; W83-F106 HydrophobicContact CZ2-CZ 4.13Å; W83-F106 AromaticContact NE1-CE2 3.52Å; I104-F106 HydrophobicContact CG2-CD2 4.42Å; I104-F106 HydrophobicContact CG2-CE2 3.9Å; I104-F106 HydrophobicContact CG2-CZ 4.12Å; F106-Y110 AromaticContact CD1-CD1 3.69Å; F106-Y110 HydrophobicContact CD1-CD1 3.69Å; F106-Y110 AromaticContact CD1-CD2 3.8Å; F106-Y110 HydrophobicContact CD1-CD2 3.8Å; F106-Y110 AromaticContact CD1-CE1 3.76Å; F106-Y110 HydrophobicContact CD1-CE1 3.76Å; F106-Y110 AromaticContact CD1-CE2 3.88Å; F106-Y110 HydrophobicContact CD1-CE2 3.88Å; F106-Y110 AromaticContact CD1-CG 3.71Å; F106-Y110 HydrophobicContact CD1-CG 3.71Å; F106-Y110 AromaticContact CD1-CZ 3.87Å; F106-Y110 HydrophobicContact CE1-CD1 4.18Å; F106-Y110 HydrophobicContact CE1-CD2 4.47Å; F106-Y110 AromaticContact CE1-CE1 3.76Å; F106-Y110 HydrophobicContact CE1-CE1 3.76Å; F106-Y110 HydrophobicContact CE1-CE2 4.11Å; F106-Y110 AromaticContact CE1-CZ 3.73Å; F106-P115 HydrophobicContact CD1-CB 4.37Å; F106-I149 HydrophobicContact CE1-CD1 3.75Å; F106-I149 HydrophobicContact CE1-CG1 3.76Å; F106-I149 HydrophobicContact CZ-CD1 3.8Å; F106-I149 HydrophobicContact CZ-CG1 3.61Å
107	S	96.7	Very high	97.5	Very high	38 Å²	38	47.2 Å²	47.2	27%	0.266	25%	0.245	S	C	.	.			trans	-78.9	160.2	168.5	68.2	0	0	0	0	111.2	E109 Y110	S107-E109 PolarHBondContact O-N 3.25Å; S107-E109 VanDerWaalsContact O-N 3.09Å; S107-E109 PolarHBondContact OG-N 2.9Å; S107-Y110 VanDerWaalsContact O-CB 3.3Å; S107-Y110 WeakPolarHBondContact O-CB 3.17Å; S107-Y110 PolarHBondContact O-N 2.72Å; S107-Y110 PolarHBondContact OG-N 3.06Å
108	M	95.9	Very high	97.6	Very high	131 Å²	131	45.2 Å²	45.2	65%	0.645	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.7	172.3	-65.9	-68.9	151.3	0	0	113	S52 Y81	S52-M108 VanDerWaalsContact CB-O 3.25Å; S52-M108 WeakPolarHBondContact CB-O 3.35Å; S52-M108 PolarHBondContact OG-O 2.85Å; Y81-M108 HydrophobicContact CD1-CE 4.04Å; Y81-M108 HydrophobicContact CD1-SD 4.44Å; Y81-M108 HydrophobicContact CD2-CE 3.83Å; Y81-M108 HydrophobicContact CE1-CE 3.9Å; Y81-M108 HydrophobicContact CE1-SD 3.75Å; Y81-M108 HydrophobicContact CE2-CE 3.66Å; Y81-M108 HydrophobicContact CE2-SD 4.04Å; Y81-M108 HydrophobicContact CG-CE 4.01Å; Y81-M108 VanDerWaalsContact CZ-SD 3.5Å; Y81-M108 PolarHBondContact OH-SD 3.44Å
109	E	96.7	Very high	97.7	Very high	101 Å²	101	45.5 Å²	45.5	47%	0.472	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-1	179.1	-63.3	169.3	81.6	0	0	113.5	S107 F112 K113	S107-E109 PolarHBondContact O-N 3.25Å; S107-E109 VanDerWaalsContact O-N 3.09Å; S107-E109 PolarHBondContact OG-N 2.9Å; E109-F112 WeakPolarHBondContact O-CA 3.38Å; E109-F112 WeakPolarHBondContact O-CB 3.13Å; E109-F112 PolarHBondContact O-N 3.1Å; E109-K113 HydrophobicContact CB-CB 4.46Å; E109-K113 HydrophobicContact CB-CD 4.17Å; E109-K113 HydrophobicContact CB-CG 4.37Å; E109-K113 PolarHBondContact O-N 3.42Å; E109-K113 WeakPolarHBondContact OE1-CE 3.35Å; E109-K113 IonicContact OE1-NZ 2.74Å; E109-K113 PolarHBondContact OE1-NZ 3.18Å; E109-K113 WeakPolarHBondContact OE2-CD 3.47Å; E109-K113 IonicContact OE2-NZ 2.72Å; E109-K113 PolarHBondContact OE2-NZ 2.94Å
110	Y	97.8	Very high	97.7	Very high	1 Å²	1	48.8 Å²	48.8	0%	0.004	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	136.4	174.1	-170.8	-101.3	0	0	0	110.8	S52 R55 I56 E59 F106 S107 K113 P115 W143	S52-Y110 WeakPolarHBondContact CA-O 3.49Å; S52-Y110 WeakPolarHBondContact CB-O 3.35Å; R55-Y110 HydrophobicContact CG-CD1 4.05Å; R55-Y110 HydrophobicContact CG-CE1 3.83Å; I56-Y110 HydrophobicContact CD1-CD1 4.37Å; I56-Y110 HydrophobicContact CG1-CD1 3.8Å; I56-Y110 HydrophobicContact CG1-CE1 4.17Å; E59-Y110 VanDerWaalsContact OE1-CE1 3.23Å; E59-Y110 WeakPolarHBondContact OE1-CE1 3.41Å; E59-Y110 PolarHBondContact OE1-OH 2.97Å; E59-Y110 PolarHBondContact OE2-OH 2.84Å; F106-Y110 AromaticContact CD1-CD1 3.69Å; F106-Y110 HydrophobicContact CD1-CD1 3.69Å; F106-Y110 AromaticContact CD1-CD2 3.8Å; F106-Y110 HydrophobicContact CD1-CD2 3.8Å; F106-Y110 AromaticContact CD1-CE1 3.76Å; F106-Y110 HydrophobicContact CD1-CE1 3.76Å; F106-Y110 AromaticContact CD1-CE2 3.88Å; F106-Y110 HydrophobicContact CD1-CE2 3.88Å; F106-Y110 AromaticContact CD1-CG 3.71Å; F106-Y110 HydrophobicContact CD1-CG 3.71Å; F106-Y110 AromaticContact CD1-CZ 3.87Å; F106-Y110 HydrophobicContact CE1-CD1 4.18Å; F106-Y110 HydrophobicContact CE1-CD2 4.47Å; F106-Y110 AromaticContact CE1-CE1 3.76Å; F106-Y110 HydrophobicContact CE1-CE1 3.76Å; F106-Y110 HydrophobicContact CE1-CE2 4.11Å; F106-Y110 AromaticContact CE1-CZ 3.73Å; S107-Y110 VanDerWaalsContact O-CB 3.3Å; S107-Y110 WeakPolarHBondContact O-CB 3.17Å; S107-Y110 PolarHBondContact O-N 2.72Å; S107-Y110 PolarHBondContact OG-N 3.06Å; Y110-K113 WeakPolarHBondContact CD2-O 3.45Å; Y110-P115 HydrophobicContact CE2-CB 4.44Å; Y110-P115 HydrophobicContact CE2-CG 4.35Å; Y110-W143 HydrophobicContact CD2-CZ2 4.26Å; Y110-W143 AromaticContact CE2-CH2 3.65Å; Y110-W143 HydrophobicContact CE2-CH2 3.65Å; Y110-W143 AromaticContact CE2-CZ2 3.61Å; Y110-W143 HydrophobicContact CE2-CZ2 3.61Å
111	P	97.3	Very high	97.7	Very high	14 Å²	14	48.9 Å²	48.9	9%	0.091	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	cis	-94.4	15.8	8.6	39.3	-36.5	0	0	0	114.5	R55 W143 P145	R55-P111 HydrophobicContact CG-CB 4.23Å; R55-P111 HydrophobicContact CG-CG 4.06Å; P111-W143 HydrophobicContact CB-CZ2 4.41Å; P111-W143 PolarHBondContact O-NE1 2.8Å; P111-P145 HydrophobicContact CB-CB 4.31Å; P111-P145 HydrophobicContact CG-CB 4.22Å; P111-P145 WeakPolarHBondContact O-CA 3.47Å
112	F	97.2	Very high	97.7	Very high	153 Å²	153	51.1 Å²	51.1	67%	0.671	24%	0.239	S	C	*	.	S	Bend	trans	-79.5	-20.7	-179.5	-58.2	-76	0	0	0	113.4	E109 P145	E109-F112 WeakPolarHBondContact O-CA 3.38Å; E109-F112 WeakPolarHBondContact O-CB 3.13Å; E109-F112 PolarHBondContact O-N 3.1Å; F112-P145 HydrophobicContact CD1-CG 4.09Å
113	K	97.3	Very high	97.7	Very high	98 Å²	98	51.8 Å²	51.8	43%	0.426	24%	0.243	S	C	.	.	S	Bend	trans	-114.9	149	165.2	-75.3	179.2	178.5	163.7	0	110.5	E109 Y110	E109-K113 HydrophobicContact CB-CB 4.46Å; E109-K113 HydrophobicContact CB-CD 4.17Å; E109-K113 HydrophobicContact CB-CG 4.37Å; E109-K113 PolarHBondContact O-N 3.42Å; E109-K113 WeakPolarHBondContact OE1-CE 3.35Å; E109-K113 IonicContact OE1-NZ 2.74Å; E109-K113 PolarHBondContact OE1-NZ 3.18Å; E109-K113 WeakPolarHBondContact OE2-CD 3.47Å; E109-K113 IonicContact OE2-NZ 2.72Å; E109-K113 PolarHBondContact OE2-NZ 2.94Å; Y110-K113 WeakPolarHBondContact CD2-O 3.45Å
114	P	97.9	Very high	97.7	Very high	40 Å²	40	52.6 Å²	52.6	26%	0.26	25%	0.245	S	C	.	.			trans	-62.6	157	176.5	24.6	-32.7	0	0	0	112.3	W143	P114-W143 HydrophobicContact CB-CB 3.98Å; P114-W143 HydrophobicContact CB-CD2 3.64Å; P114-W143 HydrophobicContact CB-CE3 3.8Å; P114-W143 HydrophobicContact CB-CG 3.69Å; P114-W143 HydrophobicContact CG-CB 4.14Å; P114-W143 HydrophobicContact CG-CG 4.13Å
115	P	98.3	Very high	97.7	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.026	25%	0.245	C	C	.	.			trans	-74.5	144.3	167.1	33.6	-31.2	0	0	0	109.4	I104 H105 F106 Y110 V117 L139 W143 I149	I104-P115 HydrophobicContact CG2-CB 4.1Å; H105-P115 CarbonylContact O-C 3.56Å; H105-P115 WeakPolarHBondContact O-CA 3.1Å; F106-P115 HydrophobicContact CD1-CB 4.37Å; Y110-P115 HydrophobicContact CE2-CB 4.44Å; Y110-P115 HydrophobicContact CE2-CG 4.35Å; P115-V117 HydrophobicContact CG-CG2 4.32Å; P115-V117 PolarHBondContact O-N 3.29Å; P115-L139 HydrophobicContact CG-CD2 4.37Å; P115-W143 HydrophobicContact CG-CZ3 4.42Å; P115-I149 HydrophobicContact CB-CD1 4.11Å; P115-I149 HydrophobicContact CG-CD1 3.77Å
116	K	98.3	Very high	97.8	Very high	135 Å²	135	49.3 Å²	49.3	59%	0.587	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	110.9	171.3	-172.2	-170.8	-176.5	-165.8	0	108.5	I104 H105 I118	I104-K116 WeakPolarHBondContact CA-O 3.16Å; H105-K116 HydrophobicContact CB-CB 4.37Å; H105-K116 PolarHBondContact N-O 2.88Å; H105-K116 PolarHBondContact O-N 3.34Å; K116-I118 HydrophobicContact CD-CD1 4.07Å; K116-I118 HydrophobicContact CD-CG1 4.43Å; K116-I118 HydrophobicContact CG-CD1 4.38Å; K116-I118 HydrophobicContact CG-CG1 4.19Å
117	V	98.5	Very high	97.8	Very high	10 Å²	10	48.8 Å²	48.8	6%	0.061	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.3	176.8	-172	0	0	0	0	109.7	L102 D103 I104 P115 I134 L139 V152 I156	L102-V117 HydrophobicContact CB-CG1 4.32Å; L102-V117 HydrophobicContact CD2-CG1 3.7Å; D103-V117 WeakPolarHBondContact O-CA 3.32Å; I104-V117 HydrophobicContact CG1-CG1 4.2Å; I104-V117 HydrophobicContact CG1-CG2 4.24Å; I104-V117 HydrophobicContact CG2-CG2 4.48Å; P115-V117 HydrophobicContact CG-CG2 4.32Å; P115-V117 PolarHBondContact O-N 3.29Å; V117-I134 HydrophobicContact CB-CD1 4.23Å; V117-I134 HydrophobicContact CG1-CD1 3.86Å; V117-L139 HydrophobicContact CB-CD1 4.06Å; V117-L139 HydrophobicContact CG2-CD1 4.22Å; V117-L139 HydrophobicContact CG2-CD2 4.12Å; V117-V152 HydrophobicContact CG2-CG1 4.09Å; V117-I156 HydrophobicContact CG1-CD1 3.92Å
118	I	98.4	Very high	97.9	Very high	27 Å²	27	47 Å²	47	14%	0.138	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	128.4	-176.9	-40.8	176.5	0	0	0	109.5	L102 D103 K116 Q131 G132	L102-I118 CarbonylContact C-O 3.49Å; L102-I118 WeakPolarHBondContact CA-O 3.36Å; D103-I118 PolarHBondContact N-O 2.71Å; D103-I118 PolarHBondContact O-N 2.77Å; K116-I118 HydrophobicContact CD-CD1 4.07Å; K116-I118 HydrophobicContact CD-CG1 4.43Å; K116-I118 HydrophobicContact CG-CD1 4.38Å; K116-I118 HydrophobicContact CG-CG1 4.19Å; I118-Q131 VanDerWaalsContact CG2-O 3.26Å; I118-Q131 WeakPolarHBondContact CG2-O 3.47Å; I118-G132 CarbonylContact C-O 3.57Å; I118-G132 WeakPolarHBondContact CA-O 3.45Å
119	F	98.3	Very high	97.9	Very high	8 Å²	8	43 Å²	43	4%	0.035	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	139	168.4	-86.9	-107.8	0	0	0	111.1	F100 L102 I123 I128 G132 I134 I156 L160	F100-F119 HydrophobicContact CB-CD1 4.33Å; F100-F119 HydrophobicContact CB-CE1 3.9Å; F100-F119 HydrophobicContact CD1-CD1 4.4Å; F100-F119 HydrophobicContact CD1-CE1 4.13Å; F100-F119 HydrophobicContact CG-CE1 4.19Å; L102-F119 HydrophobicContact CD2-CD2 3.74Å; L102-F119 HydrophobicContact CD2-CE2 3.56Å; L102-F119 HydrophobicContact CD2-CG 4.3Å; L102-F119 HydrophobicContact CD2-CZ 3.98Å; L102-F119 HydrophobicContact CG-CD1 4.48Å; L102-F119 HydrophobicContact CG-CD2 4.25Å; L102-F119 HydrophobicContact CG-CE2 4.34Å; L102-F119 HydrophobicContact CG-CG 4.32Å; L102-F119 HydrophobicContact CG-CZ 4.49Å; F119-I123 HydrophobicContact CD1-CG2 4.05Å; F119-I123 HydrophobicContact CE1-CD1 3.99Å; F119-I123 HydrophobicContact CE1-CG2 4.45Å; F119-I123 HydrophobicContact CG-CG2 4.44Å; F119-I128 HydrophobicContact CB-CG2 4.3Å; F119-I128 HydrophobicContact CD2-CD1 3.93Å; F119-I128 HydrophobicContact CD2-CG2 4.18Å; F119-I128 HydrophobicContact CE1-CD1 4.27Å; F119-I128 HydrophobicContact CE2-CD1 3.56Å; F119-I128 HydrophobicContact CE2-CG1 4.45Å; F119-I128 HydrophobicContact CG-CD1 4.44Å; F119-I128 HydrophobicContact CG-CG2 4.29Å; F119-I128 HydrophobicContact CZ-CD1 3.75Å; F119-G132 PolarHBondContact N-O 2.78Å; F119-G132 WeakPolarHBondContact O-CA 3.21Å; F119-I134 HydrophobicContact CD2-CD1 3.72Å; F119-I134 HydrophobicContact CD2-CG1 3.75Å; F119-I134 HydrophobicContact CE2-CD1 3.65Å; F119-I134 HydrophobicContact CE2-CG1 3.97Å; F119-I156 HydrophobicContact CE2-CG2 3.83Å; F119-I156 HydrophobicContact CZ-CG2 3.8Å; F119-L160 HydrophobicContact CZ-CD1 4.25Å; F119-L160 HydrophobicContact CZ-CD2 4.34Å
120	K	97.4	Very high	98	Very high	108 Å²	108	43.7 Å²	43.7	47%	0.47	21%	0.212	S	C	.	.			trans	-108.7	-35.4	176.1	-55.5	-60.5	-67.8	-143.1	0	111.4	F101 D103	F101-K120 HydrophobicContact CB-CB 4.2Å; F101-K120 WeakPolarHBondContact O-CB 3.26Å; F101-K120 PolarHBondContact O-N 3.04Å; D103-K120 HydrophobicContact CB-CD 4.07Å; D103-K120 HydrophobicContact CB-CG 4.3Å; D103-K120 VanDerWaalsContact OD2-CD 3.23Å; D103-K120 WeakPolarHBondContact OD2-CD 3.41Å; D103-K120 VanDerWaalsContact OD2-CE 3.23Å; D103-K120 WeakPolarHBondContact OD2-CE 3.23Å; D103-K120 IonicContact OD2-NZ 2.64Å; D103-K120 PolarHBondContact OD2-NZ 2.84Å
121	T	97.3	Very high	98	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	24%	0.243	C	C	.	.	S	Bend	trans	-70	128.2	165.9	-57.1	0	0	0	0	109.7	I99 F100 F101 I123 Y195 A196	I99-T121 PolarHBondContact O-OG1 2.64Å; F100-T121 HydrophobicContact CD1-CG2 3.77Å; F100-T121 HydrophobicContact CE1-CG2 4.2Å; F101-T121 PolarHBondContact N-OG1 2.82Å; F101-T121 PolarHBondContact O-N 2.87Å; T121-I123 PolarHBondContact O-N 2.65Å; T121-Y195 WeakPolarHBondContact CG2-O 3.39Å; T121-A196 HydrophobicContact CG2-CB 3.64Å
122	R	97.6	Very high	98	Very high	109 Å²	109	50 Å²	50	41%	0.411	24%	0.242	S	C	.	.			trans	-61	131.2	172.4	-69	179.6	177.1	171.7	-0.5	109.2	W191 Y195 D282	R122-W191 HydrophobicContact CB-CE3 4.47Å; R122-W191 HydrophobicContact CB-CZ3 4.33Å; R122-Y195 HydrophobicContact CB-CD1 4.27Å; R122-Y195 HydrophobicContact CB-CD2 3.84Å; R122-Y195 HydrophobicContact CB-CE2 4.36Å; R122-Y195 HydrophobicContact CB-CG 3.79Å; R122-D282 IonicContact NH1-OD1 2.76Å; R122-D282 PolarHBondContact NH1-OD1 3.04Å; R122-D282 IonicContact NH2-OD1 3.08Å
123	I	98.5	Very high	98	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.072	23%	0.229	C	C	.	.			trans	-137.5	145.1	-177.7	-168.7	172.7	0	0	0	110.8	Y95 F100 F119 T121 H125 I128 L160	Y95-I123 HydrophobicContact CD1-CD1 3.84Å; Y95-I123 HydrophobicContact CD1-CG1 3.96Å; Y95-I123 HydrophobicContact CE1-CD1 3.78Å; Y95-I123 HydrophobicContact CE1-CG1 3.66Å; Y95-I123 HydrophobicContact CG-CD1 4.45Å; F100-I123 HydrophobicContact CD1-CB 4.44Å; F100-I123 HydrophobicContact CD1-CD1 3.93Å; F100-I123 HydrophobicContact CD1-CG1 4.39Å; F100-I123 HydrophobicContact CE1-CB 4.16Å; F100-I123 HydrophobicContact CE1-CD1 3.61Å; F100-I123 HydrophobicContact CE1-CG1 3.82Å; F100-I123 HydrophobicContact CZ-CD1 4.19Å; F119-I123 HydrophobicContact CD1-CG2 4.05Å; F119-I123 HydrophobicContact CE1-CD1 3.99Å; F119-I123 HydrophobicContact CE1-CG2 4.45Å; F119-I123 HydrophobicContact CG-CG2 4.44Å; T121-I123 PolarHBondContact O-N 2.65Å; I123-H125 HydrophobicContact CD1-CB 4.47Å; I123-H125 HydrophobicContact CG1-CB 4.28Å; I123-H125 HydrophobicContact CG2-CB 4.45Å; I123-I128 HydrophobicContact CD1-CD1 4.32Å; I123-I128 HydrophobicContact CG2-CB 4.05Å; I123-I128 HydrophobicContact CG2-CD1 3.9Å; I123-I128 HydrophobicContact CG2-CG2 3.76Å; I123-L160 HydrophobicContact CD1-CD1 4.46Å; I123-L160 HydrophobicContact CD1-CD2 3.55Å
124	Y	98.6	Very high	98	Very high	29 Å²	29	41.8 Å²	41.8	11%	0.114	21%	0.212	C	C	.	.			trans	-98.6	90.9	178	-168.9	-97.6	0	0	0	109.8	Y95 I173 Q176 H184 I187 A188 W191	Y95-Y124 PolarHBondContact OH-O 3.03Å; Y124-I173 HydrophobicContact CD1-CG2 4.07Å; Y124-I173 HydrophobicContact CD2-CD1 3.81Å; Y124-I173 HydrophobicContact CD2-CG1 4.31Å; Y124-I173 HydrophobicContact CE1-CB 4.47Å; Y124-I173 HydrophobicContact CE1-CD1 4.47Å; Y124-I173 HydrophobicContact CE1-CG1 4.22Å; Y124-I173 HydrophobicContact CE1-CG2 3.71Å; Y124-I173 HydrophobicContact CE2-CD1 3.76Å; Y124-I173 HydrophobicContact CE2-CG1 3.75Å; Y124-I173 HydrophobicContact CG-CD1 4.19Å; Y124-Q176 PolarHBondContact OH-OE1 3.11Å; Y124-H184 AromaticContact CE1-CD2 3.75Å; Y124-I187 HydrophobicContact CD1-CB 4.34Å; Y124-I187 HydrophobicContact CD1-CG2 3.88Å; Y124-I187 HydrophobicContact CD2-CG2 3.73Å; Y124-I187 HydrophobicContact CE1-CB 4.13Å; Y124-I187 HydrophobicContact CE1-CG2 3.82Å; Y124-I187 HydrophobicContact CE2-CG2 3.7Å; Y124-I187 HydrophobicContact CG-CG2 3.83Å; Y124-A188 HydrophobicContact CD1-CB 4.17Å; Y124-W191 HydrophobicContact CD2-CD2 4.1Å; Y124-W191 AromaticContact CD2-CE2 3.79Å; Y124-W191 HydrophobicContact CD2-CH2 4.43Å; Y124-W191 AromaticContact CD2-CZ2 3.98Å; Y124-W191 HydrophobicContact CD2-CZ2 3.98Å; Y124-W191 HydrophobicContact CG-CD2 4.35Å; Y124-W191 HydrophobicContact CG-CG 4.44Å
125	H	98.6	Very high	98	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-149.7	129.4	-170.6	-175	-72.6	0	0	0	111.1	Y95 I123 N127 I128 L159 C163	Y95-H125 AromaticContact CE2-CD2 3.97Å; Y95-H125 AromaticContact CZ-CD2 3.77Å; Y95-H125 PolarHBondContact OH-CD2 3.34Å; Y95-H125 VanDerWaalsContact OH-CD2 3.23Å; I123-H125 HydrophobicContact CD1-CB 4.47Å; I123-H125 HydrophobicContact CG1-CB 4.28Å; I123-H125 HydrophobicContact CG2-CB 4.45Å; H125-N127 VanDerWaalsContact C-N 3.31Å; H125-N127 PolarHBondContact CE1-OD1 2.86Å; H125-N127 PolarHBondContact ND1-N 3Å; H125-N127 VanDerWaalsContact ND1-N 3.13Å; H125-N127 PolarHBondContact O-N 3.11Å; H125-I128 HydrophobicContact CB-CB 4.19Å; H125-I128 HydrophobicContact CB-CD1 4.03Å; H125-I128 HydrophobicContact CB-CG1 4.25Å; H125-I128 PolarHBondContact O-N 2.91Å; H125-L159 PolarHBondContact NE2-O 3.01Å; H125-C163 WeakPolarHBondContact NE2-CB 3.35Å
126	C	98.3	Very high	97.9	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.8	-170.8	65.1	0	0	0	0	114.7	C163 P168 L169 V170 I173 A174	C126-C163 VanDerWaalsContact SG-SG 3.7Å; C126-P168 HydrophobicContact CB-CB 4.15Å; C126-L169 PolarHBondContact O-N 3.15Å; C126-V170 PolarHBondContact O-N 2.88Å; C126-I173 HydrophobicContact CB-CB 4.13Å; C126-I173 HydrophobicContact CB-CG2 3.94Å; C126-A174 HydrophobicContact CB-CB 3.9Å
127	N	98.5	Very high	97.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	7.2	175.4	-46.3	102.2	0	0	0	114.7	H125 C135 L159 N164 D167 L169	H125-N127 VanDerWaalsContact C-N 3.31Å; H125-N127 PolarHBondContact CE1-OD1 2.86Å; H125-N127 PolarHBondContact ND1-N 3Å; H125-N127 VanDerWaalsContact ND1-N 3.13Å; H125-N127 PolarHBondContact O-N 3.11Å; N127-C135 HydrophobicContact CB-CB 4.15Å; N127-C135 PolarHBondContact O-N 2.85Å; N127-L159 HydrophobicContact CB-CD1 4.35Å; N127-L159 HydrophobicContact CB-CD2 4.28Å; N127-N164 PolarHBondContact ND2-O 3.44Å; N127-N164 PolarHBondContact OD1-N 3.25Å; N127-D167 PolarHBondContact ND2-O 3.16Å; N127-L169 WeakPolarHBondContact O-CD1 3.4Å
128	I	98.6	Very high	97.6	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.01	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-128.3	121.5	178.2	-54.3	167.4	0	0	0	108.7	F119 I123 H125 V133 I134 L160	F119-I128 HydrophobicContact CB-CG2 4.3Å; F119-I128 HydrophobicContact CD2-CD1 3.93Å; F119-I128 HydrophobicContact CD2-CG2 4.18Å; F119-I128 HydrophobicContact CE1-CD1 4.27Å; F119-I128 HydrophobicContact CE2-CD1 3.56Å; F119-I128 HydrophobicContact CE2-CG1 4.45Å; F119-I128 HydrophobicContact CG-CD1 4.44Å; F119-I128 HydrophobicContact CG-CG2 4.29Å; F119-I128 HydrophobicContact CZ-CD1 3.75Å; I123-I128 HydrophobicContact CD1-CD1 4.32Å; I123-I128 HydrophobicContact CG2-CB 4.05Å; I123-I128 HydrophobicContact CG2-CD1 3.9Å; I123-I128 HydrophobicContact CG2-CG2 3.76Å; H125-I128 HydrophobicContact CB-CB 4.19Å; H125-I128 HydrophobicContact CB-CD1 4.03Å; H125-I128 HydrophobicContact CB-CG1 4.25Å; H125-I128 PolarHBondContact O-N 2.91Å; I128-V133 WeakPolarHBondContact CA-O 3.47Å; I128-I134 HydrophobicContact CG1-CG2 4.38Å; I128-L160 HydrophobicContact CD1-CD2 3.95Å
129	N	97.6	Very high	97.5	Very high	47 Å²	47	38.2 Å²	38.2	25%	0.251	20%	0.197	S	C	.	.			trans	-86.2	173.7	-178	77.1	5.8	0	0	0	113.1	Q131 G132 V133 L169 V170	N129-Q131 PolarHBondContact O-N 2.94Å; N129-Q131 WeakPolarHBondContact OD1-CA 3.22Å; N129-Q131 WeakPolarHBondContact OD1-CB 3.32Å; N129-Q131 PolarHBondContact OD1-N 3.26Å; N129-G132 WeakPolarHBondContact O-CA 3.44Å; N129-G132 PolarHBondContact O-N 3.46Å; N129-G132 PolarHBondContact OD1-N 3.08Å; N129-V133 PolarHBondContact N-O 3.4Å; N129-V133 VanDerWaalsContact N-O 3.11Å; N129-V133 WeakPolarHBondContact OD1-CB 3.49Å; N129-V133 PolarHBondContact OD1-N 3.43Å; N129-L169 HydrophobicContact CB-CB 4.17Å; N129-L169 HydrophobicContact CB-CD1 4.28Å; N129-V170 HydrophobicContact CB-CG2 4.23Å
130	S	97.3	Very high	97.2	Very high	114 Å²	114	42.7 Å²	42.7	80%	0.797	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-15.7	179.2	57.9	0	0	0	0	114.9
131	Q	97.5	Very high	97	Very high	142 Å²	142	43.2 Å²	43.2	66%	0.664	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	8.5	174.2	-55.6	-59.3	-59.2	0	0	112.4	I118 N129 V133	I118-Q131 VanDerWaalsContact CG2-O 3.26Å; I118-Q131 WeakPolarHBondContact CG2-O 3.47Å; N129-Q131 PolarHBondContact O-N 2.94Å; N129-Q131 WeakPolarHBondContact OD1-CA 3.22Å; N129-Q131 WeakPolarHBondContact OD1-CB 3.32Å; N129-Q131 PolarHBondContact OD1-N 3.26Å; Q131-V133 HydrophobicContact CB-CG2 4.35Å; Q131-V133 PolarHBondContact O-N 3.45Å
132	G	97.9	Very high	97	Very high	6 Å²	6	47.1 Å²	47.1	6%	0.062	25%	0.245	C	C	.	.			trans	71.8	9.1	179.9	0	0	0	0	0	115.1	I118 F119 N129	I118-G132 CarbonylContact C-O 3.57Å; I118-G132 WeakPolarHBondContact CA-O 3.45Å; F119-G132 PolarHBondContact N-O 2.78Å; F119-G132 WeakPolarHBondContact O-CA 3.21Å; N129-G132 WeakPolarHBondContact O-CA 3.44Å; N129-G132 PolarHBondContact O-N 3.46Å; N129-G132 PolarHBondContact OD1-N 3.08Å
133	V	97.8	Very high	97	Very high	67 Å²	67	43.3 Å²	43.3	41%	0.406	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-71.2	132.3	177.3	-176.3	0	0	0	0	108.9	I128 N129 Q131 L169	I128-V133 WeakPolarHBondContact CA-O 3.47Å; N129-V133 PolarHBondContact N-O 3.4Å; N129-V133 VanDerWaalsContact N-O 3.11Å; N129-V133 WeakPolarHBondContact OD1-CB 3.49Å; N129-V133 PolarHBondContact OD1-N 3.43Å; Q131-V133 HydrophobicContact CB-CG2 4.35Å; Q131-V133 PolarHBondContact O-N 3.45Å; V133-L169 HydrophobicContact CG1-CD1 4.45Å; V133-L169 WeakPolarHBondContact O-CD1 3.36Å
134	I	98	Very high	97	Very high	11 Å²	11	45.1 Å²	45.1	6%	0.056	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-99.4	131.3	-177.6	-47.2	171.5	0	0	0	109.5	L102 V117 F119 I128 L136 L139 I156 L159	L102-I134 HydrophobicContact CD2-CD1 4.34Å; V117-I134 HydrophobicContact CB-CD1 4.23Å; V117-I134 HydrophobicContact CG1-CD1 3.86Å; F119-I134 HydrophobicContact CD2-CD1 3.72Å; F119-I134 HydrophobicContact CD2-CG1 3.75Å; F119-I134 HydrophobicContact CE2-CD1 3.65Å; F119-I134 HydrophobicContact CE2-CG1 3.97Å; I128-I134 HydrophobicContact CG1-CG2 4.38Å; I134-L136 HydrophobicContact CG2-CB 3.94Å; I134-L136 PolarHBondContact O-N 2.84Å; I134-L139 HydrophobicContact CD1-CD1 4.42Å; I134-I156 HydrophobicContact CD1-CD1 3.73Å; I134-I156 HydrophobicContact CD1-CG1 4.17Å; I134-L159 HydrophobicContact CG2-CD2 3.74Å
135	C	96.7	Very high	96.9	Very high	8 Å²	8	46.3 Å²	46.3	5%	0.054	26%	0.256	C	S	.	.			trans	-85.1	102	158.7	-169.2	0	0	0	0	109.3	N127 K140 D167 L169	N127-C135 HydrophobicContact CB-CB 4.15Å; N127-C135 PolarHBondContact O-N 2.85Å; C135-K140 PolarHBondContact SG-NZ 3.2Å; C135-D167 PolarHBondContact SG-OD2 2.87Å; C135-L169 HydrophobicContact CB-CD1 4.08Å; C135-L169 HydrophobicContact CB-CD2 3.9Å; C135-L169 HydrophobicContact CB-CG 3.73Å
136	L	95.9	Very high	96.9	Very high	18 Å²	18	49.5 Å²	49.5	9%	0.094	28%	0.282	C	S	.	.			trans	-141.6	128.2	171.5	-178	61.1	0	0	0	107.5	I134 I138 L139 I156	I134-L136 HydrophobicContact CG2-CB 3.94Å; I134-L136 PolarHBondContact O-N 2.84Å; L136-I138 HydrophobicContact CD1-CG1 4.3Å; L136-I138 HydrophobicContact CD2-CD1 4.07Å; L136-I138 HydrophobicContact CD2-CG1 3.73Å; L136-I138 HydrophobicContact CG-CD1 4.5Å; L136-I138 HydrophobicContact CG-CG1 3.66Å; L136-I138 PolarHBondContact O-N 2.67Å; L136-L139 HydrophobicContact CB-CD1 4.28Å; L136-L139 HydrophobicContact CB-CG 4.39Å; L136-L139 HydrophobicContact CD2-CD1 4.31Å; L136-L139 HydrophobicContact CD2-CG 4.31Å; L136-L139 PolarHBondContact O-N 2.93Å; L136-L139 VanDerWaalsContact O-N 3.1Å; L136-I156 HydrophobicContact CD2-CG1 3.92Å
137	D	94.3	Very high	96.9	Very high	70 Å²	70	51 Å²	51	37%	0.374	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-63.2	-38.2	-171.5	69.6	-42.3	0	0	0	112.8	L139 K140 N141 N142	D137-L139 PolarHBondContact O-N 3.32Å; D137-K140 CarbonylContact O-C 3.55Å; D137-K140 WeakPolarHBondContact O-CA 3.39Å; D137-K140 PolarHBondContact O-N 3.27Å; D137-N141 PolarHBondContact O-N 3.37Å; D137-N142 HydrophobicContact CB-CB 4.25Å; D137-N142 PolarHBondContact O-N 3.07Å; D137-N142 WeakPolarHBondContact OD2-CB 3.31Å; D137-N142 PolarHBondContact OD2-ND2 2.89Å
138	I	96.5	Very high	96.8	Very high	21 Å²	21	52.3 Å²	52.3	11%	0.108	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-67.5	-15.1	176.3	62.1	156.5	0	0	0	113.6	L136 K140 N142 W143 L147 V152	L136-I138 HydrophobicContact CD1-CG1 4.3Å; L136-I138 HydrophobicContact CD2-CD1 4.07Å; L136-I138 HydrophobicContact CD2-CG1 3.73Å; L136-I138 HydrophobicContact CG-CD1 4.5Å; L136-I138 HydrophobicContact CG-CG1 3.66Å; L136-I138 PolarHBondContact O-N 2.67Å; I138-K140 VanDerWaalsContact C-N 3.34Å; I138-N142 HydrophobicContact CG2-CB 4.42Å; I138-W143 VanDerWaalsContact O-CA 3.3Å; I138-W143 WeakPolarHBondContact O-CA 3.16Å; I138-W143 WeakPolarHBondContact O-CB 3.33Å; I138-L147 HydrophobicContact CB-CD1 3.75Å; I138-L147 HydrophobicContact CD1-CD1 4.29Å; I138-L147 HydrophobicContact CG2-CD1 4.05Å; I138-V152 HydrophobicContact CD1-CG2 4.2Å
139	L	95.8	Very high	96.8	Very high	25 Å²	25	52.2 Å²	52.2	13%	0.131	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-91.3	0.1	170.2	-63.9	179.6	0	0	0	112.6	P115 V117 I134 L136 D137 V152	P115-L139 HydrophobicContact CG-CD2 4.37Å; V117-L139 HydrophobicContact CB-CD1 4.06Å; V117-L139 HydrophobicContact CG2-CD1 4.22Å; V117-L139 HydrophobicContact CG2-CD2 4.12Å; I134-L139 HydrophobicContact CD1-CD1 4.42Å; L136-L139 HydrophobicContact CB-CD1 4.28Å; L136-L139 HydrophobicContact CB-CG 4.39Å; L136-L139 HydrophobicContact CD2-CD1 4.31Å; L136-L139 HydrophobicContact CD2-CG 4.31Å; L136-L139 PolarHBondContact O-N 2.93Å; L136-L139 VanDerWaalsContact O-N 3.1Å; D137-L139 PolarHBondContact O-N 3.32Å; L139-V152 HydrophobicContact CD2-CG1 3.88Å; L139-V152 HydrophobicContact CD2-CG2 4.35Å
140	K	93	Very high	96.8	Very high	102 Å²	102	51.1 Å²	51.1	44%	0.443	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-116.2	-177.1	-62.1	176.2	177	-179.5	0	110.1	C135 D137 I138	C135-K140 PolarHBondContact SG-NZ 3.2Å; D137-K140 CarbonylContact O-C 3.55Å; D137-K140 WeakPolarHBondContact O-CA 3.39Å; D137-K140 PolarHBondContact O-N 3.27Å; I138-K140 VanDerWaalsContact C-N 3.34Å
141	N	93.8	Very high	96.8	Very high	118 Å²	118	50.5 Å²	50.5	63%	0.631	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-25.4	-175.3	49	-78.8	0	0	0	114.4	D137	D137-N141 PolarHBondContact O-N 3.37Å
142	N	96.3	Very high	96.8	Very high	85 Å²	85	43.8 Å²	43.8	46%	0.455	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	16.4	-177.6	-67.1	-7.7	0	0	0	112.6	D137 I138 S144	D137-N142 HydrophobicContact CB-CB 4.25Å; D137-N142 PolarHBondContact O-N 3.07Å; D137-N142 WeakPolarHBondContact OD2-CB 3.31Å; D137-N142 PolarHBondContact OD2-ND2 2.89Å; I138-N142 HydrophobicContact CG2-CB 4.42Å; N142-S144 PolarHBondContact O-N 3.39Å
143	W	98.1	Very high	96.8	Very high	29 Å²	29	43.5 Å²	43.5	11%	0.11	24%	0.242	C	C	.	.			trans	-62.5	134.2	170.7	175.4	-102.8	0	0	0	110.9	Y110 P111 P114 P115 I138 L147 V152	Y110-W143 HydrophobicContact CD2-CZ2 4.26Å; Y110-W143 AromaticContact CE2-CH2 3.65Å; Y110-W143 HydrophobicContact CE2-CH2 3.65Å; Y110-W143 AromaticContact CE2-CZ2 3.61Å; Y110-W143 HydrophobicContact CE2-CZ2 3.61Å; P111-W143 HydrophobicContact CB-CZ2 4.41Å; P111-W143 PolarHBondContact O-NE1 2.8Å; P114-W143 HydrophobicContact CB-CB 3.98Å; P114-W143 HydrophobicContact CB-CD2 3.64Å; P114-W143 HydrophobicContact CB-CE3 3.8Å; P114-W143 HydrophobicContact CB-CG 3.69Å; P114-W143 HydrophobicContact CG-CB 4.14Å; P114-W143 HydrophobicContact CG-CG 4.13Å; P115-W143 HydrophobicContact CG-CZ3 4.42Å; I138-W143 VanDerWaalsContact O-CA 3.3Å; I138-W143 WeakPolarHBondContact O-CA 3.16Å; I138-W143 WeakPolarHBondContact O-CB 3.33Å; W143-L147 HydrophobicContact CD2-CD1 4.44Å; W143-L147 HydrophobicContact CE3-CB 4.12Å; W143-L147 HydrophobicContact CE3-CD1 3.73Å; W143-L147 HydrophobicContact CH2-CB 3.87Å; W143-L147 HydrophobicContact CZ3-CB 3.6Å; W143-L147 HydrophobicContact CZ3-CD1 4.02Å; W143-L147 HydrophobicContact CZ3-CG 4.46Å; W143-V152 HydrophobicContact CZ3-CG2 3.99Å
144	S	97.7	Very high	96.8	Very high	52 Å²	52	43.8 Å²	43.8	36%	0.364	24%	0.241	S	C	.	.			trans	-128.2	138.9	172.6	170.8	0	0	0	0	109.9	N142 A146 L147	N142-S144 PolarHBondContact O-N 3.39Å; S144-A146 PolarHBondContact O-N 2.78Å; S144-A146 PolarHBondContact OG-N 3.19Å; S144-L147 WeakPolarHBondContact O-CB 3.43Å; S144-L147 PolarHBondContact O-N 3.06Å
145	P	97.5	Very high	96.7	Very high	55 Å²	55	45.3 Å²	45.3	36%	0.357	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-11.3	173.2	-25.1	34.6	0	0	0	115.2	R55 P111 F112	R55-P145 PolarHBondContact NH1-O 3.14Å; P111-P145 HydrophobicContact CB-CB 4.31Å; P111-P145 HydrophobicContact CG-CB 4.22Å; P111-P145 WeakPolarHBondContact O-CA 3.47Å; F112-P145 HydrophobicContact CD1-CG 4.09Å
146	A	97.6	Very high	96.8	Very high	67 Å²	67	45 Å²	45	55%	0.554	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-3.3	173.4	0	0	0	0	0	114.4	S144 K151	S144-A146 PolarHBondContact O-N 2.78Å; S144-A146 PolarHBondContact OG-N 3.19Å; A146-K151 PolarHBondContact O-NZ 3.26Å
147	L	98	Very high	96.8	Very high	30 Å²	30	45 Å²	45	16%	0.157	25%	0.252	C	S	.	.			trans	-76.8	156.7	165.7	-62.9	176.6	0	0	0	110.3	R55 I138 W143 S144 K151	R55-L147 PolarHBondContact NH2-O 2.94Å; I138-L147 HydrophobicContact CB-CD1 3.75Å; I138-L147 HydrophobicContact CD1-CD1 4.29Å; I138-L147 HydrophobicContact CG2-CD1 4.05Å; W143-L147 HydrophobicContact CD2-CD1 4.44Å; W143-L147 HydrophobicContact CE3-CB 4.12Å; W143-L147 HydrophobicContact CE3-CD1 3.73Å; W143-L147 HydrophobicContact CH2-CB 3.87Å; W143-L147 HydrophobicContact CZ3-CB 3.6Å; W143-L147 HydrophobicContact CZ3-CD1 4.02Å; W143-L147 HydrophobicContact CZ3-CG 4.46Å; S144-L147 WeakPolarHBondContact O-CB 3.43Å; S144-L147 PolarHBondContact O-N 3.06Å; L147-K151 HydrophobicContact CD2-CB 4.49Å; L147-K151 HydrophobicContact CD2-CD 4.14Å
148	T	97.5	Very high	96.9	Very high	30 Å²	30	45.2 Å²	45.2	18%	0.184	26%	0.259	C	S	.	.			trans	-136.4	163.7	178.8	56.2	0	0	0	0	109.3	E59 S150 K151 V152	E59-T148 HydrophobicContact CG-CG2 4.2Å; E59-T148 WeakPolarHBondContact OE2-CA 3.39Å; E59-T148 WeakPolarHBondContact OE2-CB 3.44Å; T148-S150 VanDerWaalsContact C-N 3.25Å; T148-S150 PolarHBondContact O-N 3.32Å; T148-K151 WeakPolarHBondContact O-CB 3.25Å; T148-K151 PolarHBondContact O-N 2.88Å; T148-V152 WeakPolarHBondContact O-CG2 3.31Å; T148-V152 PolarHBondContact O-N 3.19Å
149	I	97.9	Very high	97	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-56.3	-39.5	176.2	-64.6	-54.9	0	0	0	111.7	E59 I63 A73 W83 I104 F106 P115 K151 V152 L153	E59-I149 PolarHBondContact OE2-N 3.42Å; I63-I149 HydrophobicContact CD1-CB 3.83Å; I63-I149 HydrophobicContact CD1-CG2 3.84Å; A73-I149 HydrophobicContact CB-CG2 4.18Å; W83-I149 HydrophobicContact CZ3-CG2 4.42Å; I104-I149 HydrophobicContact CD1-CG2 3.96Å; I104-I149 HydrophobicContact CG2-CD1 3.86Å; F106-I149 HydrophobicContact CE1-CD1 3.75Å; F106-I149 HydrophobicContact CE1-CG1 3.76Å; F106-I149 HydrophobicContact CZ-CD1 3.8Å; F106-I149 HydrophobicContact CZ-CG1 3.61Å; P115-I149 HydrophobicContact CB-CD1 4.11Å; P115-I149 HydrophobicContact CG-CD1 3.77Å; I149-K151 VanDerWaalsContact C-N 3.3Å; I149-K151 PolarHBondContact O-N 3.12Å; I149-V152 PolarHBondContact O-N 3.13Å; I149-L153 HydrophobicContact CG2-CD1 3.75Å; I149-L153 HydrophobicContact CG2-CG 4.15Å; I149-L153 WeakPolarHBondContact O-CG 3.33Å; I149-L153 PolarHBondContact O-N 3.15Å
150	S	97.3	Very high	97	Very high	24 Å²	24	44 Å²	44	17%	0.168	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-42.2	175.6	-24.1	0	0	0	0	112.1	I63 T148 L154	I63-S150 VanDerWaalsContact CG1-OG 3.25Å; I63-S150 WeakPolarHBondContact CG1-OG 3.49Å; T148-S150 VanDerWaalsContact C-N 3.25Å; T148-S150 PolarHBondContact O-N 3.32Å; S150-L154 WeakPolarHBondContact O-CB 3.43Å; S150-L154 VanDerWaalsContact O-CG 3.24Å; S150-L154 WeakPolarHBondContact O-CG 3.24Å; S150-L154 PolarHBondContact O-N 3.45Å
151	K	97.3	Very high	97.2	Very high	101 Å²	101	42.5 Å²	42.5	44%	0.439	25%	0.252	S	S	.	.	H	α-helix	trans	-68.2	-42.1	176	-68	172.3	-178.4	179.4	0	111.8	A146 L147 T148 I149 L153 L154 S155	A146-K151 PolarHBondContact O-NZ 3.26Å; L147-K151 HydrophobicContact CD2-CB 4.49Å; L147-K151 HydrophobicContact CD2-CD 4.14Å; T148-K151 WeakPolarHBondContact O-CB 3.25Å; T148-K151 PolarHBondContact O-N 2.88Å; I149-K151 VanDerWaalsContact C-N 3.3Å; I149-K151 PolarHBondContact O-N 3.12Å; K151-L153 PolarHBondContact O-N 3.02Å; K151-L154 PolarHBondContact O-N 2.98Å; K151-S155 PolarHBondContact O-N 3.15Å; K151-S155 PolarHBondContact O-OG 3.31Å
152	V	98.1	Very high	97.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-45.6	177	169.9	0	0	0	0	111	V117 I138 L139 W143 T148 I149 S155 I156	V117-V152 HydrophobicContact CG2-CG1 4.09Å; I138-V152 HydrophobicContact CD1-CG2 4.2Å; L139-V152 HydrophobicContact CD2-CG1 3.88Å; L139-V152 HydrophobicContact CD2-CG2 4.35Å; W143-V152 HydrophobicContact CZ3-CG2 3.99Å; T148-V152 WeakPolarHBondContact O-CG2 3.31Å; T148-V152 PolarHBondContact O-N 3.19Å; I149-V152 PolarHBondContact O-N 3.13Å; V152-S155 PolarHBondContact O-N 2.98Å; V152-I156 HydrophobicContact CG1-CD1 3.98Å; V152-I156 WeakPolarHBondContact O-CG1 3.41Å; V152-I156 PolarHBondContact O-N 2.92Å
153	L	97.9	Very high	97.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.8	-41.3	178.2	-68.2	172	0	0	0	112	P68 C71 A73 S85 I104 I149 K151 S155 I156 C157	P68-L153 HydrophobicContact CG-CD1 4.49Å; C71-L153 HydrophobicContact CB-CB 4.34Å; C71-L153 HydrophobicContact CB-CD1 4.35Å; A73-L153 HydrophobicContact CB-CD1 3.92Å; S85-L153 VanDerWaalsContact OG-CD2 3.31Å; S85-L153 WeakPolarHBondContact OG-CD2 3.41Å; I104-L153 HydrophobicContact CD1-CD2 4.36Å; I149-L153 HydrophobicContact CG2-CD1 3.75Å; I149-L153 HydrophobicContact CG2-CG 4.15Å; I149-L153 WeakPolarHBondContact O-CG 3.33Å; I149-L153 PolarHBondContact O-N 3.15Å; K151-L153 PolarHBondContact O-N 3.02Å; L153-S155 PolarHBondContact O-N 3.44Å; L153-I156 PolarHBondContact O-N 3.35Å; L153-I156 VanDerWaalsContact O-N 3.15Å; L153-C157 PolarHBondContact O-N 3.21Å
154	L	96.7	Very high	97.2	Very high	73 Å²	73	41.4 Å²	41.4	38%	0.382	25%	0.249	S	C	.	.	H	α-helix	trans	-61.6	-41.3	173.2	-71.9	169.1	0	0	0	112.3	P68 S150 K151 I156 C157 S158	P68-L154 HydrophobicContact CB-CD1 4.41Å; P68-L154 HydrophobicContact CB-CD2 4.25Å; P68-L154 HydrophobicContact CB-CG 4.08Å; S150-L154 WeakPolarHBondContact O-CB 3.43Å; S150-L154 VanDerWaalsContact O-CG 3.24Å; S150-L154 WeakPolarHBondContact O-CG 3.24Å; S150-L154 PolarHBondContact O-N 3.45Å; K151-L154 PolarHBondContact O-N 2.98Å; L154-I156 VanDerWaalsContact C-N 3.31Å; L154-I156 PolarHBondContact O-N 3.07Å; L154-C157 WeakPolarHBondContact O-CB 3.36Å; L154-C157 PolarHBondContact O-N 3.5Å; L154-S158 PolarHBondContact O-N 2.75Å; L154-S158 PolarHBondContact O-OG 3.02Å
155	S	97.4	Very high	97.1	Very high	43 Å²	43	40.4 Å²	40.4	30%	0.301	24%	0.242	S	C	.	.	H	α-helix	trans	-64.8	-32.3	173.5	-64	0	0	0	0	113	K151 V152 L153 L159	K151-S155 PolarHBondContact O-N 3.15Å; K151-S155 PolarHBondContact O-OG 3.31Å; V152-S155 PolarHBondContact O-N 2.98Å; L153-S155 PolarHBondContact O-N 3.44Å; S155-L159 WeakPolarHBondContact O-CB 3.45Å; S155-L159 PolarHBondContact O-N 3.48Å
156	I	97.9	Very high	97	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-70.4	-41.2	172.5	-66.5	164.5	0	0	0	110.5	L87 L102 V117 F119 I134 L136 V152 L153 L154 S158 L159 L160	L87-I156 HydrophobicContact CD1-CB 4.35Å; L87-I156 HydrophobicContact CD1-CG2 3.76Å; L102-I156 HydrophobicContact CD2-CD1 4.18Å; L102-I156 HydrophobicContact CD2-CG2 4.47Å; V117-I156 HydrophobicContact CG1-CD1 3.92Å; F119-I156 HydrophobicContact CE2-CG2 3.83Å; F119-I156 HydrophobicContact CZ-CG2 3.8Å; I134-I156 HydrophobicContact CD1-CD1 3.73Å; I134-I156 HydrophobicContact CD1-CG1 4.17Å; L136-I156 HydrophobicContact CD2-CG1 3.92Å; V152-I156 HydrophobicContact CG1-CD1 3.98Å; V152-I156 WeakPolarHBondContact O-CG1 3.41Å; V152-I156 PolarHBondContact O-N 2.92Å; L153-I156 PolarHBondContact O-N 3.35Å; L153-I156 VanDerWaalsContact O-N 3.15Å; L154-I156 VanDerWaalsContact C-N 3.31Å; L154-I156 PolarHBondContact O-N 3.07Å; I156-S158 VanDerWaalsContact C-N 3.34Å; I156-S158 PolarHBondContact O-N 2.88Å; I156-L159 PolarHBondContact O-N 3.49Å; I156-L160 WeakPolarHBondContact O-CG 3.46Å; I156-L160 PolarHBondContact O-N 3.42Å
157	C	96.6	Very high	96.9	Very high	18 Å²	18	43 Å²	43	12%	0.122	26%	0.256	C	S	.	.	H	α-helix	trans	-57	-46	171.1	-73.9	0	0	0	0	112	C71 L87 L153 L154 L159 L160 T161	C71-C157 PolarHBondContact SG-SG 2.98Å; L87-C157 VanDerWaalsContact CD1-SG 3.55Å; L153-C157 PolarHBondContact O-N 3.21Å; L154-C157 WeakPolarHBondContact O-CB 3.36Å; L154-C157 PolarHBondContact O-N 3.5Å; C157-L159 PolarHBondContact O-N 3.41Å; C157-L160 PolarHBondContact O-N 2.86Å; C157-T161 PolarHBondContact O-N 2.96Å; C157-T161 PolarHBondContact O-OG1 2.86Å
158	S	96.5	Very high	96.8	Very high	75 Å²	75	43.6 Å²	43.6	52%	0.524	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-42.5	175.2	-63.5	0	0	0	0	112.2	L154 I156 L160 T161 D162	L154-S158 PolarHBondContact O-N 2.75Å; L154-S158 PolarHBondContact O-OG 3.02Å; I156-S158 VanDerWaalsContact C-N 3.34Å; I156-S158 PolarHBondContact O-N 2.88Å; S158-L160 VanDerWaalsContact C-N 3.28Å; S158-L160 PolarHBondContact O-N 2.9Å; S158-T161 PolarHBondContact O-N 2.97Å; S158-T161 VanDerWaalsContact O-N 3.11Å; S158-D162 PolarHBondContact O-N 3.45Å
159	L	97.1	Very high	96.8	Very high	17 Å²	17	45.4 Å²	45.4	9%	0.089	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-35.2	177	-175.2	65.7	0	0	0	112.4	H125 N127 I134 S155 I156 C157 D162 C163	H125-L159 PolarHBondContact NE2-O 3.01Å; N127-L159 HydrophobicContact CB-CD1 4.35Å; N127-L159 HydrophobicContact CB-CD2 4.28Å; I134-L159 HydrophobicContact CG2-CD2 3.74Å; S155-L159 WeakPolarHBondContact O-CB 3.45Å; S155-L159 PolarHBondContact O-N 3.48Å; I156-L159 PolarHBondContact O-N 3.49Å; C157-L159 PolarHBondContact O-N 3.41Å; L159-D162 CarbonylContact O-C 3Å; L159-C163 WeakPolarHBondContact O-CA 3.44Å; L159-C163 PolarHBondContact O-N 3.02Å
160	L	97.6	Very high	96.8	Very high	4 Å²	4	47 Å²	47	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-73.3	-23.2	175.1	-66.2	-175.5	0	0	0	113.7	L87 P90 Y95 F119 I123 I128 I156 C157 S158	L87-L160 HydrophobicContact CD1-CD1 4.36Å; L87-L160 HydrophobicContact CD2-CD1 3.57Å; P90-L160 HydrophobicContact CG-CB 4.18Å; Y95-L160 HydrophobicContact CD2-CB 3.94Å; Y95-L160 HydrophobicContact CD2-CD2 4.34Å; Y95-L160 VanDerWaalsContact CD2-O 3.24Å; Y95-L160 WeakPolarHBondContact CD2-O 3.46Å; Y95-L160 HydrophobicContact CE2-CB 4.22Å; Y95-L160 HydrophobicContact CE2-CD2 4.2Å; Y95-L160 WeakPolarHBondContact CE2-O 3.46Å; F119-L160 HydrophobicContact CZ-CD1 4.25Å; F119-L160 HydrophobicContact CZ-CD2 4.34Å; I123-L160 HydrophobicContact CD1-CD1 4.46Å; I123-L160 HydrophobicContact CD1-CD2 3.55Å; I128-L160 HydrophobicContact CD1-CD2 3.95Å; I156-L160 WeakPolarHBondContact O-CG 3.46Å; I156-L160 PolarHBondContact O-N 3.42Å; C157-L160 PolarHBondContact O-N 2.86Å; S158-L160 VanDerWaalsContact C-N 3.28Å; S158-L160 PolarHBondContact O-N 2.9Å
161	T	96.2	Very high	96.8	Very high	71 Å²	71	48.1 Å²	48.1	44%	0.436	30%	0.295	S	S	.	.	H	α-helix	trans	-78.4	-49.6	168.5	-54.3	0	0	0	0	110.2	C157 S158	C157-T161 PolarHBondContact O-N 2.96Å; C157-T161 PolarHBondContact O-OG1 2.86Å; S158-T161 PolarHBondContact O-N 2.97Å; S158-T161 VanDerWaalsContact O-N 3.11Å
162	D	95.7	Very high	96.8	Very high	117 Å²	117	47.5 Å²	47.5	63%	0.626	30%	0.303	S	S	*	.	S	Bend	trans	-125.8	81.8	-169	-61.9	-68.3	0	0	0	110.5	S158 L159	S158-D162 PolarHBondContact O-N 3.45Å; L159-D162 CarbonylContact O-C 3Å
163	C	96.6	Very high	96.9	Very high	17 Å²	17	48.1 Å²	48.1	12%	0.115	31%	0.307	C	S	.	.			trans	-69.2	155.4	178.8	73.6	0	0	0	0	112.1	H125 C126 L159 P165 Y177	H125-C163 WeakPolarHBondContact NE2-CB 3.35Å; C126-C163 VanDerWaalsContact SG-SG 3.7Å; L159-C163 WeakPolarHBondContact O-CA 3.44Å; L159-C163 PolarHBondContact O-N 3.02Å; C163-P165 WeakPolarHBondContact O-CD 3.38Å; C163-Y177 WeakPolarHBondContact SG-CE2 3.12Å; C163-Y177 VanDerWaalsContact SG-CZ 3.51Å
164	N	96	Very high	96.9	Very high	74 Å²	74	48.3 Å²	48.3	40%	0.396	31%	0.308	S	S	.	.			trans	-104.2	91.5	178.9	178.4	9.7	0	0	0	111.6	N127 A166 D167	N127-N164 PolarHBondContact ND2-O 3.44Å; N127-N164 PolarHBondContact OD1-N 3.25Å; N164-A166 PolarHBondContact O-N 3.25Å; N164-A166 VanDerWaalsContact O-N 3.14Å; N164-A166 WeakPolarHBondContact OD1-CB 3.48Å; N164-A166 PolarHBondContact OD1-N 2.91Å; N164-D167 PolarHBondContact O-N 3.3Å
165	P	96	Very high	97	Very high	32 Å²	32	47.7 Å²	47.7	21%	0.208	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-7.8	179.1	30.5	-37.7	0	0	0	114.1	C163 A174 Y177 M178	C163-P165 WeakPolarHBondContact O-CD 3.38Å; P165-A174 HydrophobicContact CB-CB 4.22Å; P165-Y177 HydrophobicContact CB-CD1 4.04Å; P165-Y177 HydrophobicContact CG-CD1 3.92Å; P165-Y177 HydrophobicContact CG-CE1 4Å; P165-M178 HydrophobicContact CB-CG 3.9Å; P165-M178 HydrophobicContact CB-SD 3.98Å; P165-M178 HydrophobicContact CG-CG 4.21Å; P165-M178 HydrophobicContact CG-SD 4.46Å
166	A	95.6	Very high	97	Very high	92 Å²	92	47.9 Å²	47.9	76%	0.76	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-15.8	178.8	0	0	0	0	0	114.3	N164 P168	N164-A166 PolarHBondContact O-N 3.25Å; N164-A166 VanDerWaalsContact O-N 3.14Å; N164-A166 WeakPolarHBondContact OD1-CB 3.48Å; N164-A166 PolarHBondContact OD1-N 2.91Å; A166-P168 VanDerWaalsContact C-CD 3.5Å
167	D	94.4	Very high	97	Very high	83 Å²	83	50 Å²	50	44%	0.444	32%	0.315	S	S	.	.	S	Bend	trans	-130.7	66.2	168.3	-177.3	28.8	0	0	0	111.4	N127 C135 N164	N127-D167 PolarHBondContact ND2-O 3.16Å; C135-D167 PolarHBondContact SG-OD2 2.87Å; N164-D167 PolarHBondContact O-N 3.3Å
168	P	96.5	Very high	97.1	Very high	44 Å²	44	54.9 Å²	54.9	29%	0.286	34%	0.337	S	S	.	.			trans	-86.5	147.2	-174.6	36.2	-34.9	0	0	0	112.5	C126 A166 A174	C126-P168 HydrophobicContact CB-CB 4.15Å; A166-P168 VanDerWaalsContact C-CD 3.5Å; P168-A174 HydrophobicContact CB-CB 3.58Å; P168-A174 HydrophobicContact CG-CB 3.75Å
169	L	97.4	Very high	97.1	Very high	67 Å²	67	58.2 Å²	58.2	35%	0.351	34%	0.344	S	S	.	.	S	Bend	trans	-83.6	-21.7	163.7	-61.5	-175.1	0	0	0	112.3	C126 N127 N129 V133 C135	C126-L169 PolarHBondContact O-N 3.15Å; N127-L169 WeakPolarHBondContact O-CD1 3.4Å; N129-L169 HydrophobicContact CB-CB 4.17Å; N129-L169 HydrophobicContact CB-CD1 4.28Å; V133-L169 HydrophobicContact CG1-CD1 4.45Å; V133-L169 WeakPolarHBondContact O-CD1 3.36Å; C135-L169 HydrophobicContact CB-CD1 4.08Å; C135-L169 HydrophobicContact CB-CD2 3.9Å; C135-L169 HydrophobicContact CB-CG 3.73Å
170	V	97.8	Very high	97.2	Very high	34 Å²	34	61.1 Å²	61.1	21%	0.206	36%	0.36	C	S	.	.			trans	-128.1	90.2	-178	-163.1	0	0	0	0	109.2	C126 N129 S172 I173 A174	C126-V170 PolarHBondContact O-N 2.88Å; N129-V170 HydrophobicContact CB-CG2 4.23Å; V170-S172 VanDerWaalsContact C-N 3.27Å; V170-S172 PolarHBondContact O-N 2.92Å; V170-I173 HydrophobicContact CB-CB 4.3Å; V170-I173 HydrophobicContact CB-CD1 3.93Å; V170-I173 HydrophobicContact CB-CG1 4.04Å; V170-I173 HydrophobicContact CG1-CB 4.33Å; V170-I173 HydrophobicContact CG1-CD1 3.74Å; V170-I173 HydrophobicContact CG1-CG1 3.65Å; V170-I173 HydrophobicContact CG2-CD1 4.35Å; V170-I173 PolarHBondContact O-N 2.96Å; V170-I173 VanDerWaalsContact O-N 3.15Å; V170-A174 PolarHBondContact O-N 3.38Å; V170-A174 VanDerWaalsContact O-N 3.12Å
171	G	97.8	Very high	97.2	Very high	47 Å²	47	66.1 Å²	66.1	49%	0.485	38%	0.378	S	S	.	.	H	α-helix	trans	-61	-29.8	-173.4	0	0	0	0	0	114.6	A174 S175	G171-A174 PolarHBondContact O-N 3.46Å; G171-S175 WeakPolarHBondContact O-CB 3.43Å; G171-S175 PolarHBondContact O-N 3.33Å
172	S	97.9	Very high	97.3	Very high	88 Å²	88	67.4 Å²	67.4	62%	0.615	39%	0.39	S	S	*	.	H	α-helix	trans	-65.5	-43.2	174.4	51.2	0	0	0	0	112.4	V170 S175 Q176	V170-S172 VanDerWaalsContact C-N 3.27Å; V170-S172 PolarHBondContact O-N 2.92Å; S172-S175 PolarHBondContact O-N 3.28Å; S172-Q176 PolarHBondContact O-N 3.21Å
173	I	98.5	Very high	97.4	Very high	13 Å²	13	64.3 Å²	64.3	7%	0.067	37%	0.371	C	S	.	.	H	α-helix	trans	-65.6	-41.6	175.2	-56.2	-177.9	0	0	0	110.2	Y124 C126 V170 Q176 Y177	Y124-I173 HydrophobicContact CD1-CG2 4.07Å; Y124-I173 HydrophobicContact CD2-CD1 3.81Å; Y124-I173 HydrophobicContact CD2-CG1 4.31Å; Y124-I173 HydrophobicContact CE1-CB 4.47Å; Y124-I173 HydrophobicContact CE1-CD1 4.47Å; Y124-I173 HydrophobicContact CE1-CG1 4.22Å; Y124-I173 HydrophobicContact CE1-CG2 3.71Å; Y124-I173 HydrophobicContact CE2-CD1 3.76Å; Y124-I173 HydrophobicContact CE2-CG1 3.75Å; Y124-I173 HydrophobicContact CG-CD1 4.19Å; C126-I173 HydrophobicContact CB-CB 4.13Å; C126-I173 HydrophobicContact CB-CG2 3.94Å; V170-I173 HydrophobicContact CB-CB 4.3Å; V170-I173 HydrophobicContact CB-CD1 3.93Å; V170-I173 HydrophobicContact CB-CG1 4.04Å; V170-I173 HydrophobicContact CG1-CB 4.33Å; V170-I173 HydrophobicContact CG1-CD1 3.74Å; V170-I173 HydrophobicContact CG1-CG1 3.65Å; V170-I173 HydrophobicContact CG2-CD1 4.35Å; V170-I173 PolarHBondContact O-N 2.96Å; V170-I173 VanDerWaalsContact O-N 3.15Å; I173-Q176 PolarHBondContact O-N 2.87Å; I173-Y177 WeakPolarHBondContact O-CB 3.12Å; I173-Y177 PolarHBondContact O-N 3.19Å
174	A	98.4	Very high	97.5	Very high	4 Å²	4	63.6 Å²	63.6	3%	0.033	37%	0.367	C	S	.	.	H	α-helix	trans	-61.8	-45.7	176	0	0	0	0	0	112.3	C126 P165 P168 V170 G171 Q176 Y177 M178	C126-A174 HydrophobicContact CB-CB 3.9Å; P165-A174 HydrophobicContact CB-CB 4.22Å; P168-A174 HydrophobicContact CB-CB 3.58Å; P168-A174 HydrophobicContact CG-CB 3.75Å; V170-A174 PolarHBondContact O-N 3.38Å; V170-A174 VanDerWaalsContact O-N 3.12Å; G171-A174 PolarHBondContact O-N 3.46Å; A174-Q176 VanDerWaalsContact C-N 3.34Å; A174-Q176 PolarHBondContact O-N 3.02Å; A174-Y177 WeakPolarHBondContact O-CB 3.24Å; A174-Y177 PolarHBondContact O-N 3.36Å; A174-M178 WeakPolarHBondContact O-CG 3.49Å; A174-M178 PolarHBondContact O-N 3.43Å
175	S	98.2	Very high	97.7	Very high	60 Å²	60	61 Å²	61	42%	0.42	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-41	176.1	-173.2	0	0	0	0	111.7	G171 S172 M178 H179	G171-S175 WeakPolarHBondContact O-CB 3.43Å; G171-S175 PolarHBondContact O-N 3.33Å; S172-S175 PolarHBondContact O-N 3.28Å; S175-M178 PolarHBondContact O-N 2.85Å; S175-H179 WeakPolarHBondContact O-CB 3.41Å; S175-H179 PolarHBondContact O-N 2.99Å; S175-H179 PolarHBondContact O-ND1 2.93Å; S175-H179 PolarHBondContact OG-ND1 3.45Å; S175-H179 VanDerWaalsContact OG-ND1 3.15Å
176	Q	98.2	Very high	97.8	Very high	47 Å²	47	65.3 Å²	65.3	22%	0.22	37%	0.365	C	S	.	.	H	α-helix	trans	-67.2	-40.4	175.6	-163	-175	69	0	0	112.1	Y124 S172 I173 A174 M178 H179 N180 R181 H184	Y124-Q176 PolarHBondContact OH-OE1 3.11Å; S172-Q176 PolarHBondContact O-N 3.21Å; I173-Q176 PolarHBondContact O-N 2.87Å; A174-Q176 VanDerWaalsContact C-N 3.34Å; A174-Q176 PolarHBondContact O-N 3.02Å; Q176-M178 VanDerWaalsContact C-N 3.3Å; Q176-M178 PolarHBondContact O-N 3.25Å; Q176-H179 PolarHBondContact O-N 3.49Å; Q176-N180 HydrophobicContact CG-CB 4.41Å; Q176-N180 CarbonylContact O-C 3.57Å; Q176-N180 WeakPolarHBondContact O-CA 3.41Å; Q176-N180 PolarHBondContact O-N 3.3Å; Q176-R181 PolarHBondContact O-N 3Å; Q176-H184 HydrophobicContact CG-CB 4.2Å
177	Y	98.4	Very high	97.9	Very high	47 Å²	47	62.3 Å²	62.3	18%	0.184	34%	0.336	C	S	.	.	H	α-helix	trans	-57.7	-42.2	173.9	-179.3	-89.4	0	0	0	112.2	C163 P165 I173 A174 R181 H184	C163-Y177 WeakPolarHBondContact SG-CE2 3.12Å; C163-Y177 VanDerWaalsContact SG-CZ 3.51Å; P165-Y177 HydrophobicContact CB-CD1 4.04Å; P165-Y177 HydrophobicContact CG-CD1 3.92Å; P165-Y177 HydrophobicContact CG-CE1 4Å; I173-Y177 WeakPolarHBondContact O-CB 3.12Å; I173-Y177 PolarHBondContact O-N 3.19Å; A174-Y177 WeakPolarHBondContact O-CB 3.24Å; A174-Y177 PolarHBondContact O-N 3.36Å; Y177-R181 PolarHBondContact OH-NH1 3.45Å; Y177-R181 VanDerWaalsContact OH-NH1 3.11Å; Y177-H184 AromaticContact CD2-CE1 3.65Å; Y177-H184 AromaticContact CD2-ND1 3.75Å; Y177-H184 AromaticContact CD2-NE2 3.85Å
178	M	97.7	Very high	98.1	Very high	119 Å²	119	58.3 Å²	58.3	59%	0.586	31%	0.314	S	S	*	.	H	α-helix	trans	-75.9	-39.8	-179.3	-69.2	176.9	69	0	0	113.7	P165 A174 S175 Q176	P165-M178 HydrophobicContact CB-CG 3.9Å; P165-M178 HydrophobicContact CB-SD 3.98Å; P165-M178 HydrophobicContact CG-CG 4.21Å; P165-M178 HydrophobicContact CG-SD 4.46Å; A174-M178 WeakPolarHBondContact O-CG 3.49Å; A174-M178 PolarHBondContact O-N 3.43Å; S175-M178 PolarHBondContact O-N 2.85Å; Q176-M178 VanDerWaalsContact C-N 3.3Å; Q176-M178 PolarHBondContact O-N 3.25Å
179	H	98	Very high	98.2	Very high	145 Å²	145	61.8 Å²	61.8	67%	0.671	32%	0.322	S	S	*	.	H	α-helix	trans	-105	-21.2	-170	-56.1	107.7	0	0	0	114.6	S175 Q176	S175-H179 WeakPolarHBondContact O-CB 3.41Å; S175-H179 PolarHBondContact O-N 2.99Å; S175-H179 PolarHBondContact O-ND1 2.93Å; S175-H179 PolarHBondContact OG-ND1 3.45Å; S175-H179 VanDerWaalsContact OG-ND1 3.15Å; Q176-H179 PolarHBondContact O-N 3.49Å
180	N	97.8	Very high	98.2	Very high	79 Å²	79	62.4 Å²	62.4	42%	0.422	33%	0.325	S	S	.	.			trans	-147.8	63.6	177.2	-169.8	-5.4	0	0	0	111.2	Q176 S182 E183 H184	Q176-N180 HydrophobicContact CG-CB 4.41Å; Q176-N180 CarbonylContact O-C 3.57Å; Q176-N180 WeakPolarHBondContact O-CA 3.41Å; Q176-N180 PolarHBondContact O-N 3.3Å; N180-S182 PolarHBondContact O-N 3.24Å; N180-S182 VanDerWaalsContact O-N 3.17Å; N180-E183 HydrophobicContact CB-CB 4.37Å; N180-E183 VanDerWaalsContact CG-CB 3.47Å; N180-E183 WeakPolarHBondContact ND2-CB 3.43Å; N180-E183 PolarHBondContact O-N 3.42Å; N180-E183 WeakPolarHBondContact OD1-CB 3.44Å; N180-E183 PolarHBondContact OD1-N 2.96Å; N180-H184 PolarHBondContact O-N 2.85Å
181	R	98.1	Very high	98.2	Very high	109 Å²	109	64.7 Å²	64.7	41%	0.411	33%	0.33	S	S	.	.	H	α-helix	trans	-53.2	-35.5	-178.2	-177	64.9	-159.9	-88.4	-17.5	113.4	Q176 Y177 E183 H184 D185	Q176-R181 PolarHBondContact O-N 3Å; Y177-R181 PolarHBondContact OH-NH1 3.45Å; Y177-R181 VanDerWaalsContact OH-NH1 3.11Å; R181-E183 PolarHBondContact O-N 2.84Å; R181-H184 PolarHBondContact O-N 3.34Å; R181-D185 IonicContact CZ-OD1 3.99Å; R181-D185 IonicContact CZ-OD2 2.69Å; R181-D185 IonicContact NE-OD1 2.65Å; R181-D185 PolarHBondContact NE-OD1 2.97Å; R181-D185 IonicContact NE-OD2 3.56Å; R181-D185 PolarHBondContact NE-OD2 3.23Å; R181-D185 VanDerWaalsContact NE-OD2 3.08Å; R181-D185 IonicContact NH2-OD1 2.71Å; R181-D185 PolarHBondContact NH2-OD1 3.05Å; R181-D185 IonicContact NH2-OD2 3.55Å; R181-D185 PolarHBondContact NH2-OD2 3Å; R181-D185 WeakPolarHBondContact O-CB 3.36Å; R181-D185 VanDerWaalsContact O-CG 3.31Å; R181-D185 PolarHBondContact O-N 2.87Å
182	S	98.4	Very high	98.2	Very high	97 Å²	97	63 Å²	63	68%	0.678	31%	0.31	S	S	*	.	H	α-helix	trans	-62.7	-41.1	177.9	-57.7	0	0	0	0	112.8	N180 R186	N180-S182 PolarHBondContact O-N 3.24Å; N180-S182 VanDerWaalsContact O-N 3.17Å; S182-R186 PolarHBondContact O-N 3.37Å; S182-R186 VanDerWaalsContact O-N 3.12Å
183	E	98.4	Very high	98.2	Very high	52 Å²	52	65 Å²	65	24%	0.243	31%	0.31	C	S	.	.	H	α-helix	trans	-75.8	-41	177.9	179.7	60.2	-173.2	0	0	111.8	N180 R181 D185 R186 I187	N180-E183 HydrophobicContact CB-CB 4.37Å; N180-E183 VanDerWaalsContact CG-CB 3.47Å; N180-E183 WeakPolarHBondContact ND2-CB 3.43Å; N180-E183 PolarHBondContact O-N 3.42Å; N180-E183 WeakPolarHBondContact OD1-CB 3.44Å; N180-E183 PolarHBondContact OD1-N 2.96Å; R181-E183 PolarHBondContact O-N 2.84Å; E183-D185 VanDerWaalsContact C-N 3.29Å; E183-D185 PolarHBondContact O-N 2.83Å; E183-R186 WeakPolarHBondContact O-CB 3.4Å; E183-R186 PolarHBondContact O-N 2.96Å; E183-R186 VanDerWaalsContact O-N 3.14Å; E183-R186 IonicContact OE1-CZ 3.43Å; E183-R186 IonicContact OE1-NE 3.36Å; E183-R186 PolarHBondContact OE1-NE 2.85Å; E183-R186 IonicContact OE1-NH2 2.67Å; E183-R186 PolarHBondContact OE1-NH2 3.45Å; E183-R186 IonicContact OE2-CZ 3.6Å; E183-R186 IonicContact OE2-NE 2.74Å; E183-R186 PolarHBondContact OE2-NE 3.16Å; E183-R186 IonicContact OE2-NH2 3.62Å; E183-I187 HydrophobicContact CG-CD1 4.08Å; E183-I187 WeakPolarHBondContact O-CG1 3.48Å; E183-I187 PolarHBondContact O-N 2.97Å
184	H	98.6	Very high	98	Very high	3 Å²	3	69.1 Å²	69.1	1%	0.014	33%	0.327	C	S	.	.	H	α-helix	trans	-51	-50.8	170.3	170.6	-79.1	0	0	0	111.1	Y124 Q176 Y177 N180 R181 R186 I187 A188	Y124-H184 AromaticContact CE1-CD2 3.75Å; Q176-H184 HydrophobicContact CG-CB 4.2Å; Y177-H184 AromaticContact CD2-CE1 3.65Å; Y177-H184 AromaticContact CD2-ND1 3.75Å; Y177-H184 AromaticContact CD2-NE2 3.85Å; N180-H184 PolarHBondContact O-N 2.85Å; R181-H184 PolarHBondContact O-N 3.34Å; H184-R186 VanDerWaalsContact C-N 3.31Å; H184-R186 PolarHBondContact O-N 3.46Å; H184-I187 PolarHBondContact O-N 3.39Å; H184-A188 WeakPolarHBondContact O-CB 3.42Å; H184-A188 PolarHBondContact O-N 2.86Å
185	D	98.6	Very high	98	Very high	20 Å²	20	70.7 Å²	70.7	11%	0.107	33%	0.332	C	S	.	.	H	α-helix	trans	-71	-27.1	-177.1	-71.9	13.1	0	0	0	112.4	V94 R181 E183 R189	V94-D185 HydrophobicContact CG1-CB 3.55Å; R181-D185 IonicContact CZ-OD1 3.99Å; R181-D185 IonicContact CZ-OD2 2.69Å; R181-D185 IonicContact NE-OD1 2.65Å; R181-D185 PolarHBondContact NE-OD1 2.97Å; R181-D185 IonicContact NE-OD2 3.56Å; R181-D185 PolarHBondContact NE-OD2 3.23Å; R181-D185 VanDerWaalsContact NE-OD2 3.08Å; R181-D185 IonicContact NH2-OD1 2.71Å; R181-D185 PolarHBondContact NH2-OD1 3.05Å; R181-D185 IonicContact NH2-OD2 3.55Å; R181-D185 PolarHBondContact NH2-OD2 3Å; R181-D185 WeakPolarHBondContact O-CB 3.36Å; R181-D185 VanDerWaalsContact O-CG 3.31Å; R181-D185 PolarHBondContact O-N 2.87Å; E183-D185 VanDerWaalsContact C-N 3.29Å; E183-D185 PolarHBondContact O-N 2.83Å; D185-R189 VanDerWaalsContact C-NH2 3.26Å; D185-R189 VanDerWaalsContact CB-NH2 3.34Å; D185-R189 WeakPolarHBondContact O-CB 3.48Å; D185-R189 WeakPolarHBondContact O-CG 3.36Å; D185-R189 PolarHBondContact O-N 3.34Å; D185-R189 PolarHBondContact O-NE 2.84Å; D185-R189 PolarHBondContact O-NH2 2.85Å
186	R	98.6	Very high	97.8	Very high	121 Å²	121	67.9 Å²	67.9	46%	0.457	31%	0.313	S	S	.	.	H	α-helix	trans	-66	-48.8	169.9	-169.6	-169.5	71.8	84.5	3	110.9	S182 E183 H184 L190	S182-R186 PolarHBondContact O-N 3.37Å; S182-R186 VanDerWaalsContact O-N 3.12Å; E183-R186 WeakPolarHBondContact O-CB 3.4Å; E183-R186 PolarHBondContact O-N 2.96Å; E183-R186 VanDerWaalsContact O-N 3.14Å; E183-R186 IonicContact OE1-CZ 3.43Å; E183-R186 IonicContact OE1-NE 3.36Å; E183-R186 PolarHBondContact OE1-NE 2.85Å; E183-R186 IonicContact OE1-NH2 2.67Å; E183-R186 PolarHBondContact OE1-NH2 3.45Å; E183-R186 IonicContact OE2-CZ 3.6Å; E183-R186 IonicContact OE2-NE 2.74Å; E183-R186 PolarHBondContact OE2-NE 3.16Å; E183-R186 IonicContact OE2-NH2 3.62Å; H184-R186 VanDerWaalsContact C-N 3.31Å; H184-R186 PolarHBondContact O-N 3.46Å; R186-L190 HydrophobicContact CG-CD1 4.38Å; R186-L190 VanDerWaalsContact NH1-CD1 3.28Å; R186-L190 WeakPolarHBondContact O-CG 3.34Å; R186-L190 PolarHBondContact O-N 3.23Å; R186-L190 VanDerWaalsContact O-N 3.12Å
187	I	98.5	Very high	97.3	Very high	29 Å²	29	68.3 Å²	68.3	15%	0.149	32%	0.317	C	S	.	.	H	α-helix	trans	-66.5	-43.3	-179.6	-65.4	174.2	0	0	0	110.8	Y124 E183 H184 R189 L190 W191	Y124-I187 HydrophobicContact CD1-CB 4.34Å; Y124-I187 HydrophobicContact CD1-CG2 3.88Å; Y124-I187 HydrophobicContact CD2-CG2 3.73Å; Y124-I187 HydrophobicContact CE1-CB 4.13Å; Y124-I187 HydrophobicContact CE1-CG2 3.82Å; Y124-I187 HydrophobicContact CE2-CG2 3.7Å; Y124-I187 HydrophobicContact CG-CG2 3.83Å; E183-I187 HydrophobicContact CG-CD1 4.08Å; E183-I187 WeakPolarHBondContact O-CG1 3.48Å; E183-I187 PolarHBondContact O-N 2.97Å; H184-I187 PolarHBondContact O-N 3.39Å; I187-R189 PolarHBondContact O-N 2.88Å; I187-L190 PolarHBondContact O-N 3.32Å; I187-L190 VanDerWaalsContact O-N 3.16Å; I187-W191 PolarHBondContact O-N 2.78Å
188	A	98.6	Very high	96	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-41.8	178.9	0	0	0	0	0	112.9	V94 Y95 Y124 H184 W191 T192	V94-A188 HydrophobicContact CB-CB 3.77Å; V94-A188 HydrophobicContact CG1-CB 4.48Å; V94-A188 HydrophobicContact CG2-CB 3.53Å; Y95-A188 HydrophobicContact CE1-CB 4.26Å; Y124-A188 HydrophobicContact CD1-CB 4.17Å; H184-A188 WeakPolarHBondContact O-CB 3.42Å; H184-A188 PolarHBondContact O-N 2.86Å; A188-W191 PolarHBondContact O-N 2.9Å; A188-T192 WeakPolarHBondContact O-CB 3.31Å; A188-T192 PolarHBondContact O-N 3.12Å; A188-T192 PolarHBondContact O-OG1 3.12Å
189	R	98.2	Very high	94.2	Very high	117 Å²	117	69.2 Å²	69.2	44%	0.442	35%	0.347	S	S	.	.	H	α-helix	trans	-64.5	-40	172.7	-76.9	-180	-71.4	-106.9	-2.5	112.4	V94 D185 I187 T192 Q193	V94-R189 HydrophobicContact CB-CG 4.14Å; V94-R189 WeakPolarHBondContact O-CA 3.34Å; V94-R189 WeakPolarHBondContact O-CG 3.37Å; D185-R189 VanDerWaalsContact C-NH2 3.26Å; D185-R189 VanDerWaalsContact CB-NH2 3.34Å; D185-R189 WeakPolarHBondContact O-CB 3.48Å; D185-R189 WeakPolarHBondContact O-CG 3.36Å; D185-R189 PolarHBondContact O-N 3.34Å; D185-R189 PolarHBondContact O-NE 2.84Å; D185-R189 PolarHBondContact O-NH2 2.85Å; I187-R189 PolarHBondContact O-N 2.88Å; R189-T192 WeakPolarHBondContact O-CB 3.38Å; R189-T192 PolarHBondContact O-N 2.79Å; R189-Q193 WeakPolarHBondContact O-CG 3.47Å; R189-Q193 PolarHBondContact O-N 3.11Å
190	L	97.9	Very high	92.3	Very high	79 Å²	79	65 Å²	65	41%	0.414	33%	0.332	S	S	.	.	H	α-helix	trans	-66.6	-38.5	175.9	-73.3	171.1	0	0	0	112.9	R186 I187 Q193 K194	R186-L190 HydrophobicContact CG-CD1 4.38Å; R186-L190 VanDerWaalsContact NH1-CD1 3.28Å; R186-L190 WeakPolarHBondContact O-CG 3.34Å; R186-L190 PolarHBondContact O-N 3.23Å; R186-L190 VanDerWaalsContact O-N 3.12Å; I187-L190 PolarHBondContact O-N 3.32Å; I187-L190 VanDerWaalsContact O-N 3.16Å; L190-Q193 PolarHBondContact O-N 2.82Å; L190-K194 WeakPolarHBondContact O-CB 3.42Å; L190-K194 PolarHBondContact O-N 3.5Å
191	W	98	Very high	90	Very high	83 Å²	83	66.5 Å²	66.5	31%	0.314	33%	0.332	S	S	.	.	H	α-helix	trans	-66.1	-41	173.7	-86.2	55.8	0	0	0	111.9	R122 Y124 I187 A188 Q193 K194 Y195	R122-W191 HydrophobicContact CB-CE3 4.47Å; R122-W191 HydrophobicContact CB-CZ3 4.33Å; Y124-W191 HydrophobicContact CD2-CD2 4.1Å; Y124-W191 AromaticContact CD2-CE2 3.79Å; Y124-W191 HydrophobicContact CD2-CH2 4.43Å; Y124-W191 AromaticContact CD2-CZ2 3.98Å; Y124-W191 HydrophobicContact CD2-CZ2 3.98Å; Y124-W191 HydrophobicContact CG-CD2 4.35Å; Y124-W191 HydrophobicContact CG-CG 4.44Å; I187-W191 PolarHBondContact O-N 2.78Å; A188-W191 PolarHBondContact O-N 2.9Å; W191-Q193 VanDerWaalsContact C-N 3.32Å; W191-Q193 PolarHBondContact O-N 3.08Å; W191-K194 PolarHBondContact O-N 3.4Å; W191-Y195 HydrophobicContact CB-CD2 4.15Å; W191-Y195 HydrophobicContact CB-CE2 4.48Å; W191-Y195 AromaticContact CD2-CD2 3.96Å; W191-Y195 HydrophobicContact CD2-CD2 3.96Å; W191-Y195 AromaticContact CD2-CE2 3.63Å; W191-Y195 HydrophobicContact CD2-CE2 3.63Å; W191-Y195 AromaticContact CE3-CD2 3.8Å; W191-Y195 HydrophobicContact CE3-CD2 3.8Å; W191-Y195 AromaticContact CE3-CE2 3.71Å; W191-Y195 HydrophobicContact CE3-CE2 3.71Å; W191-Y195 HydrophobicContact CG-CD2 4.12Å; W191-Y195 AromaticContact CG-CE2 3.98Å; W191-Y195 HydrophobicContact CG-CE2 3.98Å; W191-Y195 HydrophobicContact CZ3-CE2 4.27Å; W191-Y195 WeakPolarHBondContact O-CB 3.27Å; W191-Y195 WeakPolarHBondContact O-CD2 3.4Å; W191-Y195 PolarHBondContact O-N 3.39Å
192	T	97.9	Very high	87.7	Confident	10 Å²	10	66.6 Å²	66.6	6%	0.061	35%	0.347	C	S	.	.	H	α-helix	trans	-57.7	-46.3	173	-59.6	0	0	0	0	110.7	V94 Y95 F100 A188 R189 A196	V94-T192 PolarHBondContact O-OG1 3.5Å; Y95-T192 WeakPolarHBondContact O-CG2 3.41Å; F100-T192 HydrophobicContact CZ-CG2 4.12Å; A188-T192 WeakPolarHBondContact O-CB 3.31Å; A188-T192 PolarHBondContact O-N 3.12Å; A188-T192 PolarHBondContact O-OG1 3.12Å; R189-T192 WeakPolarHBondContact O-CB 3.38Å; R189-T192 PolarHBondContact O-N 2.79Å; T192-A196 HydrophobicContact CG2-CB 4.32Å; T192-A196 CarbonylContact O-C 3.58Å; T192-A196 WeakPolarHBondContact O-CA 3.4Å; T192-A196 VanDerWaalsContact O-CB 3.31Å; T192-A196 WeakPolarHBondContact O-CB 3.42Å; T192-A196 PolarHBondContact O-N 2.96Å
193	Q	96.3	Very high	85.3	Confident	132 Å²	132	67.4 Å²	67.4	62%	0.617	35%	0.352	S	S	*	.	H	α-helix	trans	-66.5	-41.9	176	-70.2	172.7	3.1	0	0	113.4	R189 L190 W191 N197	R189-Q193 WeakPolarHBondContact O-CG 3.47Å; R189-Q193 PolarHBondContact O-N 3.11Å; L190-Q193 PolarHBondContact O-N 2.82Å; W191-Q193 VanDerWaalsContact C-N 3.32Å; W191-Q193 PolarHBondContact O-N 3.08Å; Q193-N197 PolarHBondContact O-ND2 3.5Å
194	K	96.2	Very high	82.9	Confident	98 Å²	98	71.7 Å²	71.7	43%	0.426	38%	0.383	S	S	.	.	H	α-helix	trans	-71.7	-41.2	-178.4	-172	176	175.3	-171.1	0	112.8	L190 W191 N197	L190-K194 WeakPolarHBondContact O-CB 3.42Å; L190-K194 PolarHBondContact O-N 3.5Å; W191-K194 PolarHBondContact O-N 3.4Å; K194-N197 PolarHBondContact O-ND2 2.76Å
195	Y	96.5	Very high	79.8	Confident	37 Å²	37	74 Å²	74	15%	0.145	41%	0.407	C	S	.	.	H	α-helix	trans	-113.8	-26	-167.2	-56.3	-58.5	0	0	0	115.1	T121 R122 W191	T121-Y195 WeakPolarHBondContact CG2-O 3.39Å; R122-Y195 HydrophobicContact CB-CD1 4.27Å; R122-Y195 HydrophobicContact CB-CD2 3.84Å; R122-Y195 HydrophobicContact CB-CE2 4.36Å; R122-Y195 HydrophobicContact CB-CG 3.79Å; W191-Y195 HydrophobicContact CB-CD2 4.15Å; W191-Y195 HydrophobicContact CB-CE2 4.48Å; W191-Y195 AromaticContact CD2-CD2 3.96Å; W191-Y195 HydrophobicContact CD2-CD2 3.96Å; W191-Y195 AromaticContact CD2-CE2 3.63Å; W191-Y195 HydrophobicContact CD2-CE2 3.63Å; W191-Y195 AromaticContact CE3-CD2 3.8Å; W191-Y195 HydrophobicContact CE3-CD2 3.8Å; W191-Y195 AromaticContact CE3-CE2 3.71Å; W191-Y195 HydrophobicContact CE3-CE2 3.71Å; W191-Y195 HydrophobicContact CG-CD2 4.12Å; W191-Y195 AromaticContact CG-CE2 3.98Å; W191-Y195 HydrophobicContact CG-CE2 3.98Å; W191-Y195 HydrophobicContact CZ3-CE2 4.27Å; W191-Y195 WeakPolarHBondContact O-CB 3.27Å; W191-Y195 WeakPolarHBondContact O-CD2 3.4Å; W191-Y195 PolarHBondContact O-N 3.39Å
196	A	95.8	Very high	76.9	Confident	1 Å²	1	82.1 Å²	82.1	1%	0.008	44%	0.444	C	S	.	.	S	Bend	trans	-107.3	17.8	-174.9	0	0	0	0	0	113.5	G98 I99 F100 T121 T192	G98-A196 CarbonylContact C-O 3.51Å; G98-A196 WeakPolarHBondContact CA-O 3.32Å; I99-A196 PolarHBondContact N-O 3.36Å; F100-A196 HydrophobicContact CD1-CB 4.07Å; F100-A196 HydrophobicContact CE1-CB 3.59Å; F100-A196 HydrophobicContact CE2-CB 4.26Å; F100-A196 HydrophobicContact CZ-CB 3.7Å; T121-A196 HydrophobicContact CG2-CB 3.64Å; T192-A196 HydrophobicContact CG2-CB 4.32Å; T192-A196 CarbonylContact O-C 3.58Å; T192-A196 WeakPolarHBondContact O-CA 3.4Å; T192-A196 VanDerWaalsContact O-CB 3.31Å; T192-A196 WeakPolarHBondContact O-CB 3.42Å; T192-A196 PolarHBondContact O-N 2.96Å
197	N	85.8	Confident	73.7	Confident	56 Å²	56	82.4 Å²	82.4	30%	0.299	46%	0.464	S	S	.	.	S	Bend	trans	-82.5	157	175	74	70.3	0	0	0	112	Q193 K194 A199 T200	Q193-N197 PolarHBondContact O-ND2 3.5Å; K194-N197 PolarHBondContact O-ND2 2.76Å; N197-A199 PolarHBondContact O-N 3.48Å; N197-A199 VanDerWaalsContact O-N 3.12Å; N197-A199 WeakPolarHBondContact OD1-CA 3.48Å; N197-A199 WeakPolarHBondContact OD1-CB 3.5Å; N197-A199 PolarHBondContact OD1-N 3.06Å; N197-T200 PolarHBondContact ND2-OG1 3.17Å; N197-T200 PolarHBondContact O-N 3.07Å; N197-T200 PolarHBondContact OD1-N 3.3Å; N197-T200 VanDerWaalsContact OD1-N 3.12Å; N197-T200 PolarHBondContact OD1-OG1 2.64Å
198	S	71.5	Confident	70.8	Confident	97 Å²	97	89.5 Å²	89.5	68%	0.678	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-11	-176.5	-41.3	0	0	0	0	115.6	I99	I99-S198 WeakPolarHBondContact CD1-OG 3.4Å
199	A	61.4	Low	67.6	Low	88 Å²	88	92.7 Å²	92.7	73%	0.727	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-21.2	-179.2	0	0	0	0	0	113.2	N197 Y201	N197-A199 PolarHBondContact O-N 3.48Å; N197-A199 VanDerWaalsContact O-N 3.12Å; N197-A199 WeakPolarHBondContact OD1-CA 3.48Å; N197-A199 WeakPolarHBondContact OD1-CB 3.5Å; N197-A199 PolarHBondContact OD1-N 3.06Å; A199-Y201 PolarHBondContact O-N 3.42Å
200	T	57.1	Low	64.8	Low	58 Å²	58	95.3 Å²	95.3	36%	0.356	55%	0.549	S	S	.	.	S	Bend	trans	-67.8	-18.5	-176.6	-62.7	0	0	0	0	113.8	N197	N197-T200 PolarHBondContact ND2-OG1 3.17Å; N197-T200 PolarHBondContact O-N 3.07Å; N197-T200 PolarHBondContact OD1-N 3.3Å; N197-T200 VanDerWaalsContact OD1-N 3.12Å; N197-T200 PolarHBondContact OD1-OG1 2.64Å
201	Y	50.4	Low	61.9	Low	110 Å²	110	98.4 Å²	98.4	43%	0.431	57%	0.566	S	S	.	*	S	Bend	trans	-129.1	107.2	178.9	-69.7	-76.7	0	0	0	112.4	F101 A199 S203	F101-Y201 HydrophobicContact CD2-CD2 4.03Å; F101-Y201 HydrophobicContact CD2-CE2 4.46Å; F101-Y201 HydrophobicContact CD2-CG 4.42Å; F101-Y201 AromaticContact CE2-CD2 3.89Å; F101-Y201 HydrophobicContact CE2-CD2 3.89Å; F101-Y201 HydrophobicContact CE2-CG 4.17Å; A199-Y201 PolarHBondContact O-N 3.42Å; Y201-S203 PolarHBondContact O-N 3.13Å
202	P	49.7	Very low	59.4	Low	110 Å²	110	100.6 Å²	100.6	71%	0.714	59%	0.588	S	S	*	*			trans	-67.7	126.1	173.5	27.8	-33.2	0	0	0	110.3	T204	P202-T204 PolarHBondContact O-N 3.12Å; P202-T204 VanDerWaalsContact O-N 3.07Å
203	S	47.7	Very low	56.4	Low	114 Å²	114	107.4 Å²	107.4	80%	0.797	62%	0.624	S	S	*	*			trans	-63.9	109.6	177.8	-177	0	0	0	0	110.8	Y201 G205	Y201-S203 PolarHBondContact O-N 3.13Å; S203-G205 VanDerWaalsContact C-N 3.31Å; S203-G205 PolarHBondContact O-N 2.74Å
204	T	47	Very low	53.9	Low	143 Å²	143	105.9 Å²	105.9	88%	0.877	63%	0.628	S	S	*	*			trans	-74.6	82.4	179.9	52.8	0	0	0	0	111.1	P202	P202-T204 PolarHBondContact O-N 3.12Å; P202-T204 VanDerWaalsContact O-N 3.07Å
205	G	33.3	Very low	51.1	Low	52 Å²	52	110 Å²	110	54%	0.536	65%	0.648	S	S	.	*	S	Bend	trans	91.5	96.9	166.7	0	0	0	0	0	115	S203	S203-G205 VanDerWaalsContact C-N 3.31Å; S203-G205 PolarHBondContact O-N 2.74Å
206	H	37.9	Very low	48.2	Very low	190 Å²	190	114 Å²	114	88%	0.88	68%	0.682	S	S	*	*				178.1	66.3	122	-93.3	92.4	0	0	0	109.4	H208	H206-H208 VanDerWaalsContact C-N 3.28Å; H206-H208 PolarHBondContact O-N 2.67Å
207	S	32.2	Very low	45.5	Very low	126 Å²	126	119.1 Å²	119.1	88%	0.881	72%	0.718	S	S	*	*			trans	-75.4	75	177	56.7	0	0	0	0	111.4	G209	S207-G209 PolarHBondContact O-N 3.23Å
208	H	38.5	Very low	43.3	Very low	179 Å²	179	128.4 Å²	128.4	83%	0.829	75%	0.749	S	S	*	*			trans	-78.2	105.4	167.3	-158.2	66.7	0	0	0	108.6	H206 M210	H206-H208 VanDerWaalsContact C-N 3.28Å; H206-H208 PolarHBondContact O-N 2.67Å; H208-M210 PolarHBondContact O-N 3.36Å; H208-M210 VanDerWaalsContact O-N 3.16Å
209	G	30.5	Very low	42	Very low	66 Å²	66	135.9 Å²	135.9	68%	0.68	76%	0.762	S	S	*	*			trans	-68.2	109.8	-168	0	0	0	0	0	113.4	S207	S207-G209 PolarHBondContact O-N 3.23Å
210	M	39.9	Very low	40.9	Very low	172 Å²	172	140.2 Å²	140.2	85%	0.847	77%	0.767	S	S	*	*			trans	-91.4	96.3	159.3	-70.8	-170.5	174.7	0	0	108.8	H208 V212	H208-M210 PolarHBondContact O-N 3.36Å; H208-M210 VanDerWaalsContact O-N 3.16Å; M210-V212 PolarHBondContact O-N 2.91Å
211	N	36.4	Very low	40.5	Very low	144 Å²	144	143.7 Å²	143.7	77%	0.77	79%	0.794	S	S	*	*			trans	-65.6	115.8	166.1	-73.2	-7.3	0	0	0	108.4
212	V	46.5	Very low	40.1	Very low	129 Å²	129	148.2 Å²	148.2	78%	0.782	81%	0.81	S	S	*	*			trans	-94.6	105.8	163.5	-80.1	0	0	0	0	107.8	M210 S214	M210-V212 PolarHBondContact O-N 2.91Å; V212-S214 PolarHBondContact O-N 3.39Å; V212-S214 VanDerWaalsContact O-N 3.09Å
213	D	33.3	Very low	39.8	Very low	154 Å²	154	150.1 Å²	150.1	82%	0.824	81%	0.811	S	S	*	*			trans	-72	99.3	-177.3	-69.8	-49.1	0	0	0	111.2
214	S	45.1	Very low	39.7	Very low	100 Å²	100	150 Å²	150	70%	0.699	81%	0.806	S	S	*	*			trans	-98.9	117.3	174	-76.5	0	0	0	0	112.7	V212	V212-S214 PolarHBondContact O-N 3.39Å; V212-S214 VanDerWaalsContact O-N 3.09Å
215	E	37	Very low	39.7	Very low	183 Å²	183	151 Å²	151	86%	0.855	81%	0.805	S	S	*	*			trans	64.1	78.2	150.4	-67.7	172.5	88	0	0	118.9	S217	E215-S217 PolarHBondContact O-N 3.14Å; E215-S217 VanDerWaalsContact O-N 3.13Å
216	S	34.9	Very low	40.5	Very low	121 Å²	121	153.4 Å²	153.4	85%	0.846	81%	0.814	S	S	*	*			trans	-59.2	105.2	145	161.3	0	0	0	0	111.2
217	S	40.2	Very low	41.3	Very low	110 Å²	110	149.5 Å²	149.5	77%	0.769	81%	0.805	S	S	*	*			trans	-171.7	69.6	146.7	-85.2	0	0	0	0	114.6	E215	E215-S217 PolarHBondContact O-N 3.14Å; E215-S217 VanDerWaalsContact O-N 3.13Å
218	R	38.1	Very low	42.2	Very low	250 Å²	250	149.6 Å²	149.6	94%	0.943	80%	0.801	S	S	*	*			trans	-141	112.9	156.3	-73.2	-167.8	177.2	169.5	1.8	111.8
219	R	45.5	Very low	42.9	Very low	255 Å²	255	146.1 Å²	146.1	96%	0.962	79%	0.794	S	S	*	*			trans	-138.5	141.3	158.8	-89.6	-171	169.5	169.9	-1.7	109.5
220	E	38.9	Very low	43.5	Very low	178 Å²	178	154.6 Å²	154.6	83%	0.832	81%	0.805	S	S	*	*			trans	-76.5	151.8	-174.1	-64.5	153.5	86.3	0	0	112.8
221	S	46.7	Very low	43.8	Very low	131 Å²	131	151.3 Å²	151.3	92%	0.916	80%	0.8	S	S	*	*			trans	-149.4	152	134.3	-79.6	0	0	0	0	108.9
222	R	42.7	Very low	44.4	Very low	206 Å²	206	149.3 Å²	149.3	78%	0.777	80%	0.797	S	S	*	*			trans	-138.6	163.7	-159.5	137.5	-177.9	-168.8	-162.6	4.6	109.8
223	M	44.1	Very low	44.4	Very low	149 Å²	149	150.3 Å²	150.3	73%	0.734	80%	0.798	S	S	*	*			trans	81.4	141.5	-177.8	-60.3	146.3	-178.1	0	0	113.7
224	T	44.6	Very low	45	Very low	113 Å²	113	148.2 Å²	148.2	69%	0.693	80%	0.795	S	S	*	*			cis	-165.1	144.5	-5.9	13.2	0	0	0	0	111.4
225	L	47.2	Very low	44.9	Very low	163 Å²	163	147.1 Å²	147.1	85%	0.853	80%	0.8	S	S	*	*			trans	61.9	154.2	149.1	-60.4	170.7	0	0	0	118.5
226	S	50.5	Low	45.4	Very low	103 Å²	103	147.7 Å²	147.7	72%	0.72	80%	0.802	S	S	*	*			cis	-165.2	175.7	-23	73.4	0	0	0	0	107.8
227	P	54.6	Low	46	Very low	107 Å²	107	147.3 Å²	147.3	70%	0.695	80%	0.799	S	S	*	*			trans	-130.6	-168.4	-134.3	31.9	-8	0	0	0	118.4
228	T	51.3	Low	46.1	Very low	128 Å²	128	145.6 Å²	145.6	79%	0.785	80%	0.8	S	S	*	*			trans	94.6	166.6	157.5	76.3	0	0	0	0	119
229	P	52.4	Low	46.2	Very low	106 Å²	106	143.5 Å²	143.5	69%	0.688	80%	0.797	S	S	*	*				-144	-174.3	-64.8	44.4	-28	0	0	0	116.4
230	R	43.2	Very low	46.2	Very low	244 Å²	244	134.7 Å²	134.7	92%	0.921	78%	0.779	S	S	*	*			trans	73.7	157.9	158.8	-82.4	-177.6	173.2	-148.4	-3.1	117.7
231	S	47.2	Very low	46.4	Very low	104 Å²	104	131.7 Å²	131.7	73%	0.727	78%	0.778	S	S	*	*			cis	-146.4	-177.6	8.7	47.6	0	0	0	0	114.6
232	S	47.9	Very low	46.4	Very low	101 Å²	101	131.2 Å²	131.2	71%	0.706	78%	0.775	S	S	*	*			trans	-45.6	169.7	169.6	45.9	0	0	0	0	116.6
233	D	47.3	Very low	46.2	Very low	150 Å²	150	129.3 Å²	129.3	80%	0.802	78%	0.78	S	S	*	*			cis	-155	-160.5	38.7	-148.5	-30	0	0	0	115.2
234	S	45.2	Very low	46.4	Very low	110 Å²	110	130.3 Å²	130.3	77%	0.769	78%	0.78	S	S	*	*			trans	-111.6	169.8	-153.3	53.9	0	0	0	0	116.6
235	G	43.2	Very low	46.5	Very low	78 Å²	78	130 Å²	130	80%	0.804	77%	0.774	S	S	*	*			trans	-173.7	129.7	176.6	0	0	0	0	0	117.1
236	H	47.9	Very low	46.1	Very low	194 Å²	194	129.4 Å²	129.4	90%	0.898	77%	0.767	S	S	*	*			trans	-67.5	171.2	175.4	-77.9	-81.2	0	0	0	114.7
237	S	46.5	Very low	45.9	Very low	113 Å²	113	131.1 Å²	131.1	79%	0.79	77%	0.767	S	S	*	*			cis	-175.8	162.7	-1.4	40.7	0	0	0	0	112.8
238	G	42.8	Very low	45.1	Very low	75 Å²	75	132.9 Å²	132.9	77%	0.773	77%	0.77	S	S	*	*			trans	98.6	159.6	156.5	0	0	0	0	0	116.6
239	F	40.2	Very low	44.8	Very low	205 Å²	205	131.6 Å²	131.6	90%	0.899	77%	0.772	S	S	*	*			cis	-162.9	160.8	-3.6	-167	-107.1	0	0	0	111.1
240	A	46.8	Very low	44.2	Very low	70 Å²	70	134.9 Å²	134.9	58%	0.579	78%	0.778	S	S	*	*			trans	24.2	125.5	167.5	0	0	0	0	0	121.7
241	S	41.7	Very low	44.8	Very low	116 Å²	116	130.1 Å²	130.1	81%	0.811	78%	0.776	S	S	*	*				80.7	116.1	55	-64.6	0	0	0	0	117.4
242	S	46.5	Very low	44.6	Very low	121 Å²	121	130.3 Å²	130.3	85%	0.846	77%	0.774	S	S	*	*				174.6	147.7	126.5	-77.2	0	0	0	0	114.1
243	N	39.4	Very low	44.2	Very low	166 Å²	166	131 Å²	131	89%	0.888	78%	0.778	S	S	*	*			trans	-125.5	141.8	171.6	-68.8	-24.9	0	0	0	110.8
244	K	47.3	Very low	44.1	Very low	169 Å²	169	129.1 Å²	129.1	74%	0.735	77%	0.772	S	S	*	*			trans	-175.5	153.9	163.1	-93.4	-161.6	147.5	-74.9	0	106.6
245	D	46.8	Very low	44	Very low	107 Å²	107	132.7 Å²	132.7	57%	0.572	78%	0.777	S	S	*	*			cis	-143.4	162.2	-6.2	-93.4	-23.9	0	0	0	107.9
246	E	40.5	Very low	44.1	Very low	150 Å²	150	134.1 Å²	134.1	70%	0.701	78%	0.775	S	S	*	*			cis	82.1	147.6	49.7	-135.8	-150.9	122.7	0	0	115.8
247	I	45.4	Very low	44	Very low	140 Å²	140	129.8 Å²	129.8	72%	0.718	77%	0.766	S	S	*	*			trans	77.2	101.9	176.2	-52.4	175.6	0	0	0	115.3
248	L	37.4	Very low	44	Very low	144 Å²	144	129 Å²	129	75%	0.754	76%	0.76	S	S	*	*				74.9	120.3	74	-99.6	163.9	0	0	0	116	E250	L248-E250 HydrophobicContact CD2-CG 4.4Å
249	A	44.8	Very low	44	Very low	100 Å²	100	130 Å²	130	83%	0.826	76%	0.761	S	S	*	*			trans	-151.8	116.5	163.8	0	0	0	0	0	110.1
250	E	40	Very low	44.2	Very low	176 Å²	176	126.5 Å²	126.5	82%	0.822	76%	0.762	S	S	*	*			trans	-102.5	157.7	171.6	-65.7	-164.9	156.3	0	0	111.3	L248	L248-E250 HydrophobicContact CD2-CG 4.4Å
251	V	55.3	Low	43.8	Very low	143 Å²	143	127.6 Å²	127.6	87%	0.867	77%	0.771	S	S	*	*			trans	-137.6	114.8	171.9	-176.3	0	0	0	0	109.7
252	P	43.5	Very low	43.9	Very low	108 Å²	108	128.5 Å²	128.5	70%	0.701	78%	0.776	S	S	*	*			trans	-101	156.5	178.5	37.5	-33.9	0	0	0	113.4
253	C	39.8	Very low	43.3	Very low	117 Å²	117	128.8 Å²	128.8	79%	0.791	77%	0.773	S	S	*	*			trans	175.2	99	149.3	-92.6	0	0	0	0	108.4
254	T	45.9	Very low	43.7	Very low	110 Å²	110	126 Å²	126	68%	0.675	77%	0.767	S	S	*	*				70.6	109.6	91.2	58.8	0	0	0	0	116.6
255	E	43.4	Very low	43.5	Very low	185 Å²	185	125.9 Å²	125.9	86%	0.864	77%	0.772	S	S	*	*			trans	66.4	144.5	130.7	-65.5	-173.3	128.2	0	0	120.7
256	S	45.2	Very low	43	Very low	108 Å²	108	124.2 Å²	124.2	76%	0.755	78%	0.781	S	S	*	*			cis	-165.2	170.2	-6.1	52.4	0	0	0	0	112.1
257	S	44.3	Very low	43.1	Very low	102 Å²	102	122.2 Å²	122.2	71%	0.713	79%	0.79	S	S	*	*			trans	134.2	136.2	134.3	-163.6	0	0	0	0	116.8
258	S	46.2	Very low	42.7	Very low	96 Å²	96	127.1 Å²	127.1	67%	0.671	80%	0.799	S	S	*	*			trans	29.7	106.5	153.2	56.6	0	0	0	0	118.9
259	A	44.3	Very low	43.3	Very low	97 Å²	97	125.8 Å²	125.8	80%	0.802	80%	0.802	S	S	*	*				71.1	115.4	52.1	0	0	0	0	0	116.2
260	S	44.1	Very low	43.1	Very low	131 Å²	131	129.3 Å²	129.3	92%	0.916	81%	0.807	S	S	*	*			trans	-165.3	142.8	148.4	-81.8	0	0	0	0	109
261	A	39	Very low	43.2	Very low	93 Å²	93	124.2 Å²	124.2	77%	0.769	80%	0.802	S	S	*	*			trans	-125	148.8	-175.5	0	0	0	0	0	111.5
262	C	43.1	Very low	42.2	Very low	136 Å²	136	121.2 Å²	121.2	92%	0.919	80%	0.8	S	S	*	*			trans	-134	135.2	173.5	-69.6	0	0	0	0	108.9
263	T	34.2	Very low	42.2	Very low	127 Å²	127	125.3 Å²	125.3	78%	0.779	81%	0.809	S	S	*	*			trans	-132.1	119.3	-170	-55.6	0	0	0	0	112.7
264	S	46.8	Very low	42.1	Very low	108 Å²	108	124.6 Å²	124.6	76%	0.755	81%	0.806	S	S	*	*			trans	-165.8	105.2	163.6	50.9	0	0	0	0	107.6
265	I	43.9	Very low	42	Very low	165 Å²	165	126.2 Å²	126.2	85%	0.846	82%	0.815	S	S	*	*				57.2	108.4	77.4	-56.7	173.8	0	0	0	111.1
266	G	37	Very low	41.9	Very low	73 Å²	73	124 Å²	124	75%	0.753	81%	0.809	S	S	*	*			trans	-173.8	56	-173.4	0	0	0	0	0	118.2
267	A	42.1	Very low	41.7	Very low	107 Å²	107	127.5 Å²	127.5	88%	0.884	81%	0.814	S	S	*	*			trans	64.2	173.5	162.1	0	0	0	0	0	119.4
268	R	37.5	Very low	41.7	Very low	244 Å²	244	129.7 Å²	129.7	92%	0.921	82%	0.823	S	S	*	*			trans	-139.2	128.2	-173.8	-61.5	163.2	69.6	-156.9	5.5	110.4
269	S	48.2	Very low	41.7	Very low	116 Å²	116	132.2 Å²	132.2	81%	0.811	83%	0.828	S	S	*	*			trans	-154.3	114.4	152.3	-65.6	0	0	0	0	103.6
270	D	42	Very low	41.7	Very low	173 Å²	173	134.3 Å²	134.3	93%	0.925	82%	0.821	S	S	*	*				57.6	123.1	54.9	-154.9	15.1	0	0	0	112.6
271	G	40.9	Very low	41.6	Very low	70 Å²	70	133.6 Å²	133.6	72%	0.722	81%	0.807	S	S	*	*			trans	134.6	63	-155.7	0	0	0	0	0	112.1
272	G	35.6	Very low	41.8	Very low	80 Å²	80	133.8 Å²	133.8	83%	0.825	80%	0.795	S	S	*	*			trans	-86.1	107.2	173	0	0	0	0	0	111.4
273	E	42.9	Very low	41.8	Very low	193 Å²	193	131.3 Å²	131.3	90%	0.902	78%	0.776	S	S	*	*			trans	-83.5	136.4	167.1	-73.6	-178.7	85.4	0	0	110.7
274	S	38.5	Very low	42.1	Very low	102 Å²	102	130.9 Å²	130.9	71%	0.713	78%	0.775	S	S	*	*			trans	-74.8	134.5	-177.7	44.7	0	0	0	0	112.3	D276	S274-D276 VanDerWaalsContact C-N 3.27Å; S274-D276 PolarHBondContact O-N 3.12Å
275	V	43.1	Very low	41.9	Very low	145 Å²	145	132 Å²	132	88%	0.879	78%	0.777	S	S	*	*	S	Bend	trans	-84	57.2	-176.4	-73.1	0	0	0	0	113
276	D	40.2	Very low	41.7	Very low	138 Å²	138	129.6 Å²	129.6	74%	0.738	77%	0.772	S	S	*	*			trans	-129.7	28	-170.9	-76.6	-67.5	0	0	0	115.1	S274	S274-D276 VanDerWaalsContact C-N 3.27Å; S274-D276 PolarHBondContact O-N 3.12Å
277	E	41.4	Very low	41.9	Very low	182 Å²	182	131.5 Å²	131.5	85%	0.85	77%	0.774	S	S	*	*			trans	-149.2	82.5	167.9	-143.1	173	-168.6	0	0	115.1
278	V	45	Very low	41.9	Very low	148 Å²	148	130.9 Å²	130.9	90%	0.897	77%	0.769	S	S	*	*			trans	-133.5	54.9	155.2	-166.8	0	0	0	0	108.8
279	L	46.1	Very low	41.9	Very low	148 Å²	148	127.1 Å²	127.1	78%	0.775	76%	0.762	S	S	*	*			trans	-96.1	97.6	-178.1	-126	149.4	0	0	0	109.9	D281	L279-D281 PolarHBondContact O-N 3.22Å
280	E	44.3	Very low	41.6	Very low	141 Å²	141	127.3 Å²	127.3	66%	0.659	76%	0.758	S	S	*	*			trans	37.1	71	146.5	-54.1	-170.3	136.7	0	0	118.5	D282	E280-D282 VanDerWaalsContact C-N 3.3Å; E280-D282 PolarHBondContact O-N 3.23Å
281	D	41.3	Very low	41.4	Very low	117 Å²	117	125.3 Å²	125.3	63%	0.626	75%	0.748	S	S	*	*			trans	-81.9	80.7	147.1	-171.2	64.4	0	0	0	109.5	L279 T283	L279-D281 PolarHBondContact O-N 3.22Å; D281-T283 PolarHBondContact O-N 3.11Å; D281-T283 VanDerWaalsContact O-N 3.14Å; D281-T283 WeakPolarHBondContact OD1-CG2 3.37Å; D281-T283 WeakPolarHBondContact OD2-CB 3.44Å; D281-T283 WeakPolarHBondContact OD2-CG2 3.35Å; D281-T283 PolarHBondContact OD2-OG1 3.22Å
282	D	44.6	Very low	41.5	Very low	96 Å²	96	129.7 Å²	129.7	51%	0.513	75%	0.753	S	S	.	*			trans	-84.2	61.5	167.7	-92.6	-23.8	0	0	0	110.1	R122 E280 P284	R122-D282 IonicContact NH1-OD1 2.76Å; R122-D282 PolarHBondContact NH1-OD1 3.04Å; R122-D282 IonicContact NH2-OD1 3.08Å; E280-D282 VanDerWaalsContact C-N 3.3Å; E280-D282 PolarHBondContact O-N 3.23Å; D282-P284 WeakPolarHBondContact O-CD 3.46Å
283	T	42	Very low	41.5	Very low	85 Å²	85	129.5 Å²	129.5	52%	0.521	74%	0.743	S	S	.	*	P	Polyproline II helix	trans	-70.9	117.1	162.7	45.1	0	0	0	0	109.6	D281 V285	D281-T283 PolarHBondContact O-N 3.11Å; D281-T283 VanDerWaalsContact O-N 3.14Å; D281-T283 WeakPolarHBondContact OD1-CG2 3.37Å; D281-T283 WeakPolarHBondContact OD2-CB 3.44Å; D281-T283 WeakPolarHBondContact OD2-CG2 3.35Å; D281-T283 PolarHBondContact OD2-OG1 3.22Å; T283-V285 PolarHBondContact O-N 2.99Å
284	P	39.9	Very low	41.5	Very low	117 Å²	117	128.7 Å²	128.7	76%	0.76	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-68.8	124.8	177.3	27.4	-32.8	0	0	0	109.5	D282 P286	D282-P284 WeakPolarHBondContact O-CD 3.46Å; P284-P286 WeakPolarHBondContact O-CD 3.45Å
285	V	43	Very low	41.5	Very low	133 Å²	133	128.3 Å²	128.3	81%	0.806	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-57.3	122.2	173.9	178.3	0	0	0	0	108.4	T283 S287	T283-V285 PolarHBondContact O-N 2.99Å; V285-S287 PolarHBondContact O-N 3.12Å
286	P	39.3	Very low	41.5	Very low	114 Å²	114	130.9 Å²	130.9	74%	0.74	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-65.4	123.5	-175.6	24.8	-33.4	0	0	0	110.4	P284 A288	P284-P286 WeakPolarHBondContact O-CD 3.45Å; P286-A288 PolarHBondContact O-N 3.47Å
287	S	42.7	Very low	41.5	Very low	113 Å²	113	130.9 Å²	130.9	79%	0.79	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-54	125.6	169.8	-64.2	0	0	0	0	109.7	V285 E289	V285-S287 PolarHBondContact O-N 3.12Å; S287-E289 PolarHBondContact O-N 3.32Å
288	A	41.7	Very low	42.1	Very low	94 Å²	94	127.5 Å²	127.5	78%	0.777	74%	0.735	S	S	*	*			trans	-71.7	90.6	-179.7	0	0	0	0	0	110.7	P286 T290	P286-A288 PolarHBondContact O-N 3.47Å; A288-T290 PolarHBondContact O-N 3.35Å
289	E	37.3	Very low	42.3	Very low	164 Å²	164	129 Å²	129	77%	0.766	76%	0.763	S	S	*	*			trans	-66.6	93.2	171.7	-67.9	-166.6	140	0	0	110.6	S287 N291	S287-E289 PolarHBondContact O-N 3.32Å; E289-N291 PolarHBondContact O-N 3.09Å
290	T	41.4	Very low	42.1	Very low	120 Å²	120	128.1 Å²	128.1	74%	0.736	76%	0.762	S	S	*	*			trans	-68.7	83.3	167.6	49.5	0	0	0	0	109.8	A288 I292	A288-T290 PolarHBondContact O-N 3.35Å; T290-I292 VanDerWaalsContact C-N 3.33Å; T290-I292 PolarHBondContact O-N 2.76Å
291	N	37.6	Very low	42	Very low	132 Å²	132	127.4 Å²	127.4	71%	0.706	77%	0.768	S	S	*	*			trans	-64.7	88.5	171.5	-89.3	-76.3	0	0	0	110.3	E289 A293	E289-N291 PolarHBondContact O-N 3.09Å; N291-A293 PolarHBondContact O-N 3.13Å
292	I	43.4	Very low	42	Very low	162 Å²	162	127.9 Å²	127.9	83%	0.831	78%	0.776	S	S	*	*			trans	-79.2	77.4	170.7	-54.8	180	0	0	0	108.7	T290	T290-I292 VanDerWaalsContact C-N 3.33Å; T290-I292 PolarHBondContact O-N 2.76Å
293	A	36.4	Very low	41.8	Very low	75 Å²	75	129.8 Å²	129.8	62%	0.62	79%	0.791	S	S	*	*			trans	-107.9	107.2	161.8	0	0	0	0	0	108.3	N291	N291-A293 PolarHBondContact O-N 3.13Å
294	H	41.9	Very low	41.8	Very low	177 Å²	177	132.6 Å²	132.6	82%	0.819	81%	0.808	S	S	*	*			trans	-172.4	95.2	144.8	-100.1	-59.3	0	0	0	111.9
295	S	38.9	Very low	42	Very low	93 Å²	93	133.7 Å²	133.7	65%	0.65	81%	0.811	S	S	*	*			trans	27.2	112.2	135.8	56.8	0	0	0	0	119.3
296	F	43.3	Very low	41.9	Very low	199 Å²	199	133.7 Å²	133.7	87%	0.873	81%	0.812	S	S	*	*			trans	-150.6	111.9	140.5	-114.3	-72.8	0	0	0	112.7
297	T	39.9	Very low	42.1	Very low	138 Å²	138	135.2 Å²	135.2	85%	0.847	82%	0.817	S	S	*	*			trans	-139.9	124.4	160.7	31.4	0	0	0	0	108.9
298	P	53.6	Low	42	Very low	112 Å²	112	137.1 Å²	137.1	73%	0.727	82%	0.819	S	S	*	*			trans	-108.2	177.5	149.6	4.7	17.5	0	0	0	110.3
299	A	49.2	Very low	42.1	Very low	179 Å²	179	141 Å²	141	100%	1.479	82%	0.823	S	S	*	*			trans	-75.9	0	175.1	0	0	0	0	0	113.2

Retrieved 299 of 299 residues in 76 ms (Link to these results)

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