Q9ARP1_ORYSJ Loading...

Os01g0144100 protein

AlphaFold DB , UniProt , Accession Q9ARP1, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 198 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	39.6	Very low	41.7	Very low	246 Å²	246	129.8 Å²	129.8	100%	1.212	74%	0.743	S	S	*	*				0	96.5	0	-131.5	172.3	-178.6	0	0	106.6
2	A	36	Very low	43.4	Very low	101 Å²	101	121.2 Å²	121.2	84%	0.835	69%	0.692	S	S	*	*			trans	-85.3	116.7	178.7	0	0	0	0	0	107.7	P4	A2-P4 WeakPolarHBondContact O-CD 3.38Å
3	I	37.1	Very low	45.3	Very low	155 Å²	155	119.6 Å²	119.6	80%	0.795	69%	0.687	S	S	*	*			trans	-67.9	118.6	171.3	-58.6	169.7	0	0	0	105.7	T5	I3-T5 PolarHBondContact O-N 2.92Å
4	P	32.4	Very low	46.6	Very low	104 Å²	104	116.9 Å²	116.9	68%	0.675	68%	0.676	S	S	*	*			trans	-68.9	111.7	175.5	26.7	-28.3	0	0	0	107.2	A2 I6	A2-P4 WeakPolarHBondContact O-CD 3.38Å; P4-I6 PolarHBondContact O-N 3.06Å
5	T	35.8	Very low	47.6	Very low	118 Å²	118	112.9 Å²	112.9	72%	0.724	66%	0.657	S	S	*	*			trans	-59.9	103.2	168.8	-39.6	0	0	0	0	106.6	I3 L7	I3-T5 PolarHBondContact O-N 2.92Å; T5-L7 HydrophobicContact CG2-CD1 3.79Å; T5-L7 PolarHBondContact O-N 3.32Å
6	I	41.6	Very low	48.2	Very low	156 Å²	156	112.8 Å²	112.8	80%	0.8	66%	0.661	S	S	*	*			trans	-68.1	86.3	170.5	-60.4	173.9	0	0	0	105.2	P4 G8	P4-I6 PolarHBondContact O-N 3.06Å; I6-G8 PolarHBondContact O-N 3.45Å
7	L	39.2	Very low	48.6	Very low	135 Å²	135	113.7 Å²	113.7	71%	0.707	67%	0.671	S	S	*	*			trans	-69.3	69	158.7	-92.3	92.9	0	0	0	106.8	T5 S9	T5-L7 HydrophobicContact CG2-CD1 3.79Å; T5-L7 PolarHBondContact O-N 3.32Å; L7-S9 PolarHBondContact O-N 3.45Å
8	G	40.7	Very low	48.6	Very low	52 Å²	52	113.6 Å²	113.6	54%	0.536	68%	0.677	S	S	.	*			trans	-59.8	110.4	161.6	0	0	0	0	0	105.4	I6 L10	I6-G8 PolarHBondContact O-N 3.45Å; G8-L10 VanDerWaalsContact C-N 3.26Å; G8-L10 PolarHBondContact O-N 3.02Å
9	S	48.1	Very low	48.3	Very low	93 Å²	93	112.6 Å²	112.6	65%	0.65	68%	0.683	S	S	*	*			trans	-57	97.3	172	-72.4	0	0	0	0	107.3	L7 K11	L7-S9 PolarHBondContact O-N 3.45Å; S9-K11 VanDerWaalsContact C-N 3.35Å; S9-K11 PolarHBondContact O-N 3.19Å
10	L	51	Low	47.9	Very low	81 Å²	81	113 Å²	113	42%	0.424	69%	0.685	S	S	.	*			trans	-58	103.4	176.1	-145	82.5	0	0	0	105.8	G8 L12 V66	G8-L10 VanDerWaalsContact C-N 3.26Å; G8-L10 PolarHBondContact O-N 3.02Å; L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 3.25Å; L10-V66 HydrophobicContact CD2-CG1 3.56Å
11	K	57.7	Low	47.6	Very low	187 Å²	187	113.5 Å²	113.5	81%	0.813	69%	0.691	S	S	*	*			trans	-73.5	95.5	169	-86.5	-176.7	177.9	179.6	0	105	S9 T13	S9-K11 VanDerWaalsContact C-N 3.35Å; S9-K11 PolarHBondContact O-N 3.19Å; K11-T13 PolarHBondContact O-N 2.95Å
12	L	62.1	Low	47.6	Very low	26 Å²	26	108.4 Å²	108.4	14%	0.136	67%	0.674	C	S	.	*			trans	-54.4	107.3	166.6	-78.8	163.5	0	0	0	106.7	L10 Y62 V66 T67 L72 F77	L10-L12 VanDerWaalsContact C-N 3.26Å; L10-L12 PolarHBondContact O-N 3.25Å; L12-Y62 HydrophobicContact CB-CD1 3.58Å; L12-Y62 HydrophobicContact CB-CE1 3.59Å; L12-Y62 HydrophobicContact CB-CG 4.17Å; L12-Y62 HydrophobicContact CD2-CD1 3.8Å; L12-Y62 HydrophobicContact CD2-CG 3.74Å; L12-Y62 HydrophobicContact CG-CD1 4.31Å; L12-Y62 HydrophobicContact CG-CG 4.5Å; L12-Y62 WeakPolarHBondContact O-CE1 3.34Å; L12-V66 HydrophobicContact CD2-CB 3.93Å; L12-V66 HydrophobicContact CD2-CG1 3.34Å; L12-V66 HydrophobicContact CG-CG1 4.44Å; L12-T67 HydrophobicContact CD1-CG2 3.95Å; L12-T67 HydrophobicContact CD2-CG2 3.49Å; L12-T67 VanDerWaalsContact CD2-CG2 3.49Å; L12-T67 HydrophobicContact CG-CG2 4.43Å; L12-L72 HydrophobicContact CD1-CD2 3.82Å; L12-F77 HydrophobicContact CD1-CE1 3.59Å; L12-F77 HydrophobicContact CD1-CZ 3.5Å
13	T	67.9	Low	47.7	Very low	101 Å²	101	114.7 Å²	114.7	62%	0.62	68%	0.676	S	S	*	*			trans	-108.1	136.3	170	50	0	0	0	0	106.7	K11 S15 Y62	K11-T13 PolarHBondContact O-N 2.95Å; T13-S15 PolarHBondContact O-N 3.33Å; T13-Y62 VanDerWaalsContact C-CE1 3.43Å; T13-Y62 WeakPolarHBondContact O-CD1 3.36Å
14	P	63.5	Low	47.9	Very low	82 Å²	82	112.4 Å²	112.4	53%	0.532	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-53.8	131	177.1	-24.4	33.2	0	0	0	109.3	P61 Y62	P14-P61 CarbonylContact C-O 3.52Å; P14-P61 WeakPolarHBondContact CA-O 3.44Å; P14-P61 HydrophobicContact CB-CB 4.47Å; P14-Y62 HydrophobicContact CG-CE1 4.06Å
15	S	61.4	Low	48.2	Very low	57 Å²	57	112.2 Å²	112.2	40%	0.399	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-49.5	134.6	166.5	-35.8	0	0	0	0	107.5	T13 P61 G63	T13-S15 PolarHBondContact O-N 3.33Å; S15-P61 VanDerWaalsContact CB-O 3.31Å; S15-P61 WeakPolarHBondContact CB-O 3.01Å; S15-P61 PolarHBondContact N-O 3Å; S15-P61 PolarHBondContact OG-O 3.01Å; S15-G63 PolarHBondContact OG-N 3.03Å
16	P	57.7	Low	48.4	Very low	111 Å²	111	110.8 Å²	110.8	72%	0.721	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-54.5	145.9	169	23.9	-31.9	0	0	0	108.7	S18	P16-S18 PolarHBondContact O-N 2.95Å
17	P	54	Low	48.2	Very low	128 Å²	128	108.7 Å²	108.7	83%	0.831	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-51.8	122.4	178.6	20.9	-31.5	0	0	0	108.6	A19	P17-A19 PolarHBondContact O-N 2.92Å; P17-A19 VanDerWaalsContact O-N 3.13Å
18	S	49.9	Very low	48.2	Very low	111 Å²	111	107.1 Å²	107.1	78%	0.776	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-53.2	124.9	174.1	52.4	0	0	0	0	107.6	P16 T20	P16-S18 PolarHBondContact O-N 2.95Å; S18-T20 PolarHBondContact O-N 2.9Å
19	A	42.5	Very low	48.2	Very low	96 Å²	96	109.3 Å²	109.3	79%	0.793	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-50.5	116.8	176.8	0	0	0	0	0	106.9	P17	P17-A19 PolarHBondContact O-N 2.92Å; P17-A19 VanDerWaalsContact O-N 3.13Å
20	T	39.8	Very low	47.8	Very low	119 Å²	119	111.4 Å²	111.4	73%	0.73	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-46.8	127.7	176.6	26.9	0	0	0	0	107.4	S18 V22	S18-T20 PolarHBondContact O-N 2.9Å; T20-V22 PolarHBondContact O-N 2.83Å
21	P	40.9	Very low	47.1	Very low	124 Å²	124	115.1 Å²	115.1	81%	0.805	70%	0.699	S	S	*	*			trans	-59.8	113.2	176.8	21.1	-26.5	0	0	0	106.1	R23	P21-R23 PolarHBondContact O-N 2.97Å
22	V	40.9	Very low	46.2	Very low	139 Å²	139	115 Å²	115	84%	0.842	70%	0.699	S	S	*	*			trans	-52.5	114.7	177.2	177.4	0	0	0	0	105.7	T20 S24	T20-V22 PolarHBondContact O-N 2.83Å; V22-S24 VanDerWaalsContact C-N 3.32Å; V22-S24 PolarHBondContact O-N 2.85Å
23	R	38.6	Very low	45	Very low	233 Å²	233	122.1 Å²	122.1	88%	0.879	73%	0.732	S	S	*	*			trans	-60.2	98.5	177	-173.2	177.7	-178	-170.4	0.5	106.7	P21 S25	P21-R23 PolarHBondContact O-N 2.97Å; R23-S25 VanDerWaalsContact C-N 3.33Å; R23-S25 PolarHBondContact O-N 2.94Å
24	S	40.8	Very low	43.4	Very low	107 Å²	107	125.6 Å²	125.6	75%	0.748	75%	0.745	S	S	*	*			trans	-62.6	100.9	169.1	175.6	0	0	0	0	107.2	V22 A26	V22-S24 VanDerWaalsContact C-N 3.32Å; V22-S24 PolarHBondContact O-N 2.85Å; S24-A26 PolarHBondContact O-N 3.13Å
25	S	38.3	Very low	42.4	Very low	101 Å²	101	126.4 Å²	126.4	71%	0.706	76%	0.759	S	S	*	*			trans	-67.5	85.3	169.4	56.6	0	0	0	0	108.3	R23 S27	R23-S25 VanDerWaalsContact C-N 3.33Å; R23-S25 PolarHBondContact O-N 2.94Å; S25-S27 PolarHBondContact O-N 3.05Å
26	A	39.7	Very low	41.1	Very low	88 Å²	88	131.2 Å²	131.2	73%	0.727	78%	0.78	S	S	*	*			trans	-71.4	89.2	164.8	0	0	0	0	0	107.6	S24 S28	S24-A26 PolarHBondContact O-N 3.13Å; A26-S28 PolarHBondContact O-N 2.75Å
27	S	38.7	Very low	40.3	Very low	111 Å²	111	130.8 Å²	130.8	78%	0.776	79%	0.786	S	S	*	*			trans	-77	102.9	166.9	43.5	0	0	0	0	107.5	S25	S25-S27 PolarHBondContact O-N 3.05Å
28	S	38.9	Very low	39.5	Very low	102 Å²	102	128.4 Å²	128.4	71%	0.713	79%	0.785	S	S	*	*			trans	-104.1	94.8	167.3	50.9	0	0	0	0	108.3	A26 L30	A26-S28 PolarHBondContact O-N 2.75Å; S28-L30 PolarHBondContact O-N 2.82Å
29	S	40.2	Very low	39	Very low	98 Å²	98	128.1 Å²	128.1	69%	0.685	79%	0.789	S	S	*	*			trans	-82.2	86.5	169.3	40.7	0	0	0	0	109	H31	S29-H31 PolarHBondContact O-N 2.81Å
30	L	38.8	Very low	38.9	Very low	138 Å²	138	128.6 Å²	128.6	72%	0.723	79%	0.793	S	S	*	*			trans	-75.7	99.9	169.1	-83.5	157.4	0	0	0	109.3	S28 F32	S28-L30 PolarHBondContact O-N 2.82Å; L30-F32 HydrophobicContact CB-CE2 4.33Å; L30-F32 PolarHBondContact O-N 3.02Å
31	H	37.3	Very low	39.1	Very low	158 Å²	158	127.2 Å²	127.2	73%	0.731	79%	0.793	S	S	*	*			trans	-78.5	108.7	166.4	-71.5	90.7	0	0	0	109	S29 H33	S29-H31 PolarHBondContact O-N 2.81Å; H31-H33 PolarHBondContact O-N 2.8Å
32	F	37.9	Very low	39.2	Very low	184 Å²	184	129.6 Å²	129.6	81%	0.807	80%	0.799	S	S	*	*			trans	-81.7	107.6	168.2	-76.7	-86.2	0	0	0	109.3	L30	L30-F32 HydrophobicContact CB-CE2 4.33Å; L30-F32 PolarHBondContact O-N 3.02Å
33	H	38	Very low	39.3	Very low	177 Å²	177	129.3 Å²	129.3	82%	0.819	80%	0.797	S	S	*	*			trans	-98.6	124.7	159.4	-87.6	-80.4	0	0	0	109.4	H31	H31-H33 PolarHBondContact O-N 2.8Å
34	L	34.5	Very low	39.7	Very low	173 Å²	173	122.3 Å²	122.3	91%	0.906	79%	0.789	S	S	*	*			trans	-60.1	132	172.4	-70.9	105.5	0	0	0	111
35	A	41	Very low	40.2	Very low	99 Å²	99	121 Å²	121	82%	0.818	78%	0.784	S	S	*	*			trans	-147.5	120	148.1	0	0	0	0	0	108.4
36	N	35.3	Very low	40.5	Very low	159 Å²	159	121.4 Å²	121.4	85%	0.85	79%	0.787	S	S	*	*			trans	-56	153	176.6	-94.8	-16.9	0	0	0	112.7
37	A	39.7	Very low	41	Very low	102 Å²	102	124.4 Å²	124.4	84%	0.843	79%	0.79	S	S	*	*			trans	104.7	101.6	154.3	0	0	0	0	0	117.3
38	G	37.6	Very low	41.4	Very low	77 Å²	77	127 Å²	127	79%	0.794	80%	0.795	S	S	*	*			trans	93	127.6	137.4	0	0	0	0	0	118
39	A	40.4	Very low	42.1	Very low	105 Å²	105	127.4 Å²	127.4	87%	0.868	79%	0.792	S	S	*	*			trans	76.1	98.5	164.4	0	0	0	0	0	117.7	A41	A39-A41 PolarHBondContact O-N 3.18Å
40	A	39.3	Very low	42.7	Very low	107 Å²	107	126.9 Å²	126.9	88%	0.884	79%	0.794	S	S	*	*			trans	-64.5	112.3	169.3	0	0	0	0	0	111.8
41	A	44.5	Very low	43.2	Very low	89 Å²	89	125.5 Å²	125.5	74%	0.736	79%	0.787	S	S	*	*			trans	-114.1	99.5	161.8	0	0	0	0	0	108.1	A39 V43	A39-A41 PolarHBondContact O-N 3.18Å; A41-V43 PolarHBondContact O-N 2.82Å
42	L	42.8	Very low	44	Very low	175 Å²	175	123.2 Å²	123.2	92%	0.916	79%	0.787	S	S	*	*			trans	-69.2	93.6	175.7	-73.4	164.2	0	0	0	109.2	A44	L42-A44 PolarHBondContact O-N 2.88Å
43	V	42.4	Very low	44.5	Very low	133 Å²	133	118.6 Å²	118.6	81%	0.806	78%	0.783	S	S	*	*			trans	-78	97.2	163.5	-178.7	0	0	0	0	106.6	A41 A45	A41-V43 PolarHBondContact O-N 2.82Å; V43-A45 VanDerWaalsContact C-N 3.33Å; V43-A45 PolarHBondContact O-N 2.83Å
44	A	46.7	Very low	44.9	Very low	86 Å²	86	117.4 Å²	117.4	71%	0.711	78%	0.782	S	S	*	*			trans	-63.2	95.4	172.6	0	0	0	0	0	108.7	L42 S46	L42-A44 PolarHBondContact O-N 2.88Å; A44-S46 VanDerWaalsContact C-N 3.35Å; A44-S46 PolarHBondContact O-N 2.92Å
45	A	51.9	Low	45.4	Very low	79 Å²	79	113.3 Å²	113.3	65%	0.653	77%	0.773	S	S	*	*			trans	-63.3	99.8	166.6	0	0	0	0	0	107.4	V43 L47	V43-A45 VanDerWaalsContact C-N 3.33Å; V43-A45 PolarHBondContact O-N 2.83Å; A45-L47 PolarHBondContact O-N 2.92Å
46	S	44.7	Very low	45.7	Very low	109 Å²	109	114.7 Å²	114.7	76%	0.762	76%	0.761	S	S	*	*			trans	-63	89.8	169.8	-51.8	0	0	0	0	108.1	A44 L48	A44-S46 VanDerWaalsContact C-N 3.35Å; A44-S46 PolarHBondContact O-N 2.92Å; S46-L48 VanDerWaalsContact C-N 3.32Å; S46-L48 PolarHBondContact O-N 2.91Å
47	L	49.8	Very low	46.6	Very low	151 Å²	151	116.9 Å²	116.9	79%	0.791	76%	0.763	S	S	*	*			trans	-62.3	99.1	165.6	-87.8	105.6	0	0	0	106.8	A45 V49	A45-L47 PolarHBondContact O-N 2.92Å; L47-V49 PolarHBondContact O-N 2.79Å
48	L	47.9	Very low	47.3	Very low	166 Å²	166	113 Å²	113	87%	0.869	73%	0.733	S	S	*	*			trans	-58.4	92.3	156.5	-86.1	134.5	0	0	0	106.3	S46 A50	S46-L48 VanDerWaalsContact C-N 3.32Å; S46-L48 PolarHBondContact O-N 2.91Å; L48-A50 VanDerWaalsContact C-N 3.25Å; L48-A50 PolarHBondContact O-N 3.46Å
49	V	53.2	Low	48.8	Very low	110 Å²	110	111.4 Å²	111.4	67%	0.667	72%	0.716	S	S	*	*			trans	-62.2	100.1	162.7	-177.8	0	0	0	0	104.2	L47 D51	L47-V49 PolarHBondContact O-N 2.79Å; V49-D51 VanDerWaalsContact C-N 3.34Å; V49-D51 PolarHBondContact O-N 3.38Å
50	A	52.4	Low	50.7	Low	88 Å²	88	106.7 Å²	106.7	73%	0.727	68%	0.678	S	S	*	*			trans	-58.6	105.3	167.2	0	0	0	0	0	105.8	L48 P52	L48-A50 VanDerWaalsContact C-N 3.25Å; L48-A50 PolarHBondContact O-N 3.46Å; A50-P52 WeakPolarHBondContact O-CD 2.93Å
51	D	50.7	Low	52.7	Low	108 Å²	108	103.7 Å²	103.7	58%	0.578	65%	0.649	S	S	*	*			trans	-53.7	110.3	179.3	-92.8	-44	0	0	0	108.7	V49 A53 L54	V49-D51 VanDerWaalsContact C-N 3.34Å; V49-D51 PolarHBondContact O-N 3.38Å; D51-A53 HydrophobicContact CB-CB 4.48Å; D51-A53 PolarHBondContact O-N 2.92Å; D51-L54 HydrophobicContact CB-CD1 4.35Å; D51-L54 PolarHBondContact O-N 2.71Å
52	P	53.4	Low	54.5	Low	110 Å²	110	100.3 Å²	100.3	71%	0.714	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-64	-12.2	175.8	26.6	-32.2	0	0	0	111.4	A50 L54 A55	A50-P52 WeakPolarHBondContact O-CD 2.93Å; P52-L54 PolarHBondContact O-N 2.7Å; P52-A55 PolarHBondContact O-N 3.22Å
53	A	48.6	Very low	56.4	Low	88 Å²	88	92.8 Å²	92.8	73%	0.727	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-63.2	-21.7	171	0	0	0	0	0	113.7	D51	D51-A53 HydrophobicContact CB-CB 4.48Å; D51-A53 PolarHBondContact O-N 2.92Å
54	L	46.9	Very low	58	Low	152 Å²	152	89.1 Å²	89.1	80%	0.796	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-88.3	-8.5	180	-102.4	79.8	0	0	0	114.9	D51 P52	D51-L54 HydrophobicContact CB-CD1 4.35Å; D51-L54 PolarHBondContact O-N 2.71Å; P52-L54 PolarHBondContact O-N 2.7Å
55	A	44.3	Very low	59.5	Low	87 Å²	87	93.5 Å²	93.5	72%	0.719	56%	0.562	S	S	*	*			trans	-101.7	5.7	-170.2	0	0	0	0	0	115.7	P52 K57	P52-A55 PolarHBondContact O-N 3.22Å; A55-K57 PolarHBondContact O-N 3.5Å
56	F	46.5	Very low	61.2	Low	128 Å²	128	92.4 Å²	92.4	56%	0.561	55%	0.547	S	S	*	.			trans	-94.3	77.8	166.9	-163.7	-100.5	0	0	0	110.6	G58 R84	F56-G58 PolarHBondContact O-N 2.98Å; F56-R84 VanDerWaalsContact CZ-CZ 3.47Å
57	K	54.7	Low	63.4	Low	205 Å²	205	87.2 Å²	87.2	89%	0.891	51%	0.511	S	S	*	.			trans	-72.8	79.9	166.4	-166.6	174.6	-176.2	179.4	0	107.8	A55 G59	A55-K57 PolarHBondContact O-N 3.5Å; K57-G59 PolarHBondContact O-N 3.24Å
58	G	53.6	Low	65.5	Low	21 Å²	21	85.1 Å²	85.1	22%	0.216	49%	0.492	C	S	.	.			trans	-47.6	137	175.5	0	0	0	0	0	110.6	F56 Q64	F56-G58 PolarHBondContact O-N 2.98Å; G58-Q64 VanDerWaalsContact C-CD 3.49Å; G58-Q64 WeakPolarHBondContact O-CG 3.31Å; G58-Q64 PolarHBondContact O-NE2 2.87Å; G58-Q64 PolarHBondContact O-OE1 2.97Å
59	G	69.8	Low	67.7	Low	42 Å²	42	79.3 Å²	79.3	43%	0.433	47%	0.472	S	S	.	.			trans	179.1	91.4	-165.1	0	0	0	0	0	106.3	K57	K57-G59 PolarHBondContact O-N 3.24Å
60	G	79.9	Confident	69.8	Low	7 Å²	7	77.2 Å²	77.2	7%	0.072	46%	0.456	C	S	.	.			trans	-59.9	-178.3	170.5	0	0	0	0	0	111.1	Y62 G63 R84 Q85	G60-Y62 PolarHBondContact O-N 3.33Å; G60-G63 PolarHBondContact O-N 3.44Å; G60-R84 PolarHBondContact N-O 3.26Å; G60-Q85 PolarHBondContact O-OE1 3.12Å
61	P	81.6	Confident	71.8	Confident	43 Å²	43	77.3 Å²	77.3	28%	0.279	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-29.8	-175	-10.6	9.1	0	0	0	114.1	P14 S15 T81 L82 Q85	P14-P61 CarbonylContact C-O 3.52Å; P14-P61 WeakPolarHBondContact CA-O 3.44Å; P14-P61 HydrophobicContact CB-CB 4.47Å; S15-P61 VanDerWaalsContact CB-O 3.31Å; S15-P61 WeakPolarHBondContact CB-O 3.01Å; S15-P61 PolarHBondContact N-O 3Å; S15-P61 PolarHBondContact OG-O 3.01Å; P61-T81 WeakPolarHBondContact CG-O 3.09Å; P61-L82 HydrophobicContact CG-CD2 4.41Å; P61-Q85 VanDerWaalsContact N-OE1 3.1Å
62	Y	82.3	Confident	74	Confident	18 Å²	18	72.3 Å²	72.3	7%	0.071	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	0.5	179.1	-61.6	-68.7	0	0	0	114.3	L12 T13 P14 G60 V66 T67 F77 Q80 L82	L12-Y62 HydrophobicContact CB-CD1 3.58Å; L12-Y62 HydrophobicContact CB-CE1 3.59Å; L12-Y62 HydrophobicContact CB-CG 4.17Å; L12-Y62 HydrophobicContact CD2-CD1 3.8Å; L12-Y62 HydrophobicContact CD2-CG 3.74Å; L12-Y62 HydrophobicContact CG-CD1 4.31Å; L12-Y62 HydrophobicContact CG-CG 4.5Å; L12-Y62 WeakPolarHBondContact O-CE1 3.34Å; T13-Y62 VanDerWaalsContact C-CE1 3.43Å; T13-Y62 WeakPolarHBondContact O-CD1 3.36Å; P14-Y62 HydrophobicContact CG-CE1 4.06Å; G60-Y62 PolarHBondContact O-N 3.33Å; Y62-V66 WeakPolarHBondContact O-CB 3.1Å; Y62-V66 WeakPolarHBondContact O-CG2 2.98Å; Y62-T67 HydrophobicContact CG-CG2 4.41Å; Y62-F77 HydrophobicContact CE2-CE1 4.48Å; Y62-Q80 PolarHBondContact OH-OE1 2.93Å; Y62-L82 HydrophobicContact CD2-CD2 3.6Å; Y62-L82 HydrophobicContact CE2-CD2 3.44Å; Y62-L82 VanDerWaalsContact CE2-CD2 3.44Å
63	G	82.5	Confident	76.1	Confident	18 Å²	18	70.3 Å²	70.3	19%	0.186	40%	0.403	C	S	.	.			trans	69.1	161	-171.6	0	0	0	0	0	111.8	S15 G60 Q85	S15-G63 PolarHBondContact OG-N 3.03Å; G60-G63 PolarHBondContact O-N 3.44Å; G63-Q85 PolarHBondContact O-NE2 3.36Å
64	Q	77.3	Confident	78.5	Confident	55 Å²	55	68.4 Å²	68.4	26%	0.257	39%	0.392	S	S	.	.	H	α-helix	trans	-68.4	-44	-175.9	-52.2	-72	-93.7	0	0	111.5	G58 V66 T67 R68 D86	G58-Q64 VanDerWaalsContact C-CD 3.49Å; G58-Q64 WeakPolarHBondContact O-CG 3.31Å; G58-Q64 PolarHBondContact O-NE2 2.87Å; G58-Q64 PolarHBondContact O-OE1 2.97Å; Q64-V66 PolarHBondContact O-N 2.87Å; Q64-T67 PolarHBondContact O-N 3.49Å; Q64-R68 WeakPolarHBondContact O-CB 3.22Å; Q64-R68 PolarHBondContact O-N 3.43Å; Q64-D86 HydrophobicContact CB-CB 4.25Å; Q64-D86 HydrophobicContact CG-CB 4.27Å; Q64-D86 PolarHBondContact OE1-OD2 3.16Å
65	Q	77.9	Confident	80.8	Confident	179 Å²	179	64 Å²	64	84%	0.836	37%	0.367	S	S	*	.	H	α-helix	trans	-67.5	-23.5	-172.6	-69.1	176.3	-38.8	0	0	113.6
66	V	86.3	Confident	83.3	Confident	55 Å²	55	64.5 Å²	64.5	33%	0.333	36%	0.357	S	S	.	.	H	α-helix	trans	-86.3	-24.3	-172.7	-162	0	0	0	0	111.7	L10 L12 Y62 Q64 Q70	L10-V66 HydrophobicContact CD2-CG1 3.56Å; L12-V66 HydrophobicContact CD2-CB 3.93Å; L12-V66 HydrophobicContact CD2-CG1 3.34Å; L12-V66 HydrophobicContact CG-CG1 4.44Å; Y62-V66 WeakPolarHBondContact O-CB 3.1Å; Y62-V66 WeakPolarHBondContact O-CG2 2.98Å; Q64-V66 PolarHBondContact O-N 2.87Å; V66-Q70 WeakPolarHBondContact O-CG 3.09Å
67	T	91.6	Very high	85.7	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-111	-27.2	178.2	48.7	0	0	0	0	113.8	L12 Y62 Q64 L72 Q85 D86 F87 S90	L12-T67 HydrophobicContact CD1-CG2 3.95Å; L12-T67 HydrophobicContact CD2-CG2 3.49Å; L12-T67 VanDerWaalsContact CD2-CG2 3.49Å; L12-T67 HydrophobicContact CG-CG2 4.43Å; Y62-T67 HydrophobicContact CG-CG2 4.41Å; Q64-T67 PolarHBondContact O-N 3.49Å; T67-L72 HydrophobicContact CG2-CD1 4.4Å; T67-Q85 HydrophobicContact CG2-CG 4.39Å; T67-Q85 PolarHBondContact OG1-NE2 2.78Å; T67-D86 WeakPolarHBondContact CB-O 2.98Å; T67-D86 PolarHBondContact OG1-O 3Å; T67-F87 HydrophobicContact CG2-CD1 4.12Å; T67-F87 HydrophobicContact CG2-CE1 3.68Å; T67-F87 HydrophobicContact CG2-CZ 4.44Å; T67-S90 PolarHBondContact O-OG 3.16Å
68	R	94.1	Very high	87.8	Confident	107 Å²	107	51.1 Å²	51.1	40%	0.404	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	134.6	179.5	177	-175.1	-82.1	-118.9	11.8	111.7	Q64 Q70 D86 K88	Q64-R68 WeakPolarHBondContact O-CB 3.22Å; Q64-R68 PolarHBondContact O-N 3.43Å; R68-Q70 PolarHBondContact O-N 2.68Å; R68-Q70 VanDerWaalsContact O-N 3.12Å; R68-Q70 PolarHBondContact O-NE2 3.39Å; R68-D86 IonicContact CZ-OD1 3.15Å; R68-D86 IonicContact CZ-OD2 3.96Å; R68-D86 PolarHBondContact N-O 3.31Å; R68-D86 IonicContact NE-OD1 2.83Å; R68-D86 PolarHBondContact NE-OD1 2.82Å; R68-D86 IonicContact NE-OD2 3.49Å; R68-D86 PolarHBondContact NE-OD2 2.64Å; R68-D86 IonicContact NH2-OD1 3.87Å; R68-D86 IonicContact NH2-OD2 2.68Å; R68-D86 PolarHBondContact NH2-OD2 2.83Å; R68-K88 HydrophobicContact CG-CB 4.41Å; R68-K88 WeakPolarHBondContact CG-O 2.95Å
69	G	94.7	Very high	89.8	Confident	44 Å²	44	52.7 Å²	52.7	45%	0.454	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	14.2	175.8	0	0	0	0	0	114.6	K88 T89 S90	G69-K88 PolarHBondContact N-O 3.15Å; G69-T89 WeakPolarHBondContact CA-OG1 3.33Å; G69-S90 PolarHBondContact N-OG 2.76Å
70	Q	95.8	Very high	91.1	Very high	67 Å²	67	53.1 Å²	53.1	31%	0.313	31%	0.311	S	S	.	.			trans	-89.1	152.5	-178.3	-62.9	-52.4	-58	0	0	111.5	V66 R68 L72 S90 I91	V66-Q70 WeakPolarHBondContact O-CG 3.09Å; R68-Q70 PolarHBondContact O-N 2.68Å; R68-Q70 VanDerWaalsContact O-N 3.12Å; R68-Q70 PolarHBondContact O-NE2 3.39Å; Q70-L72 HydrophobicContact CB-CD1 4.23Å; Q70-L72 HydrophobicContact CB-CD2 3.96Å; Q70-L72 HydrophobicContact CB-CG 3.77Å; Q70-L72 PolarHBondContact O-N 3.48Å; Q70-S90 PolarHBondContact N-OG 3.27Å; Q70-S90 WeakPolarHBondContact O-CA 3.39Å; Q70-S90 WeakPolarHBondContact O-CB 3.31Å; Q70-I91 PolarHBondContact O-N 2.86Å
71	D	96.4	Very high	91.8	Very high	90 Å²	90	56.2 Å²	56.2	48%	0.481	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-81.6	106.4	159.9	-171.3	-6.6	0	0	0	109.5	T73	D71-T73 WeakPolarHBondContact OD1-CB 3.41Å; D71-T73 PolarHBondContact OD1-N 3.45Å; D71-T73 PolarHBondContact OD1-OG1 2.54Å
72	L	96.2	Very high	92.5	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	32%	0.316	C	S	.	.			trans	-116.7	26.3	-179.8	-61	175.3	0	0	0	110.3	L12 T67 Q70 G74 K75 F77 F87 I91 L92	L12-L72 HydrophobicContact CD1-CD2 3.82Å; T67-L72 HydrophobicContact CG2-CD1 4.4Å; Q70-L72 HydrophobicContact CB-CD1 4.23Å; Q70-L72 HydrophobicContact CB-CD2 3.96Å; Q70-L72 HydrophobicContact CB-CG 3.77Å; Q70-L72 PolarHBondContact O-N 3.48Å; L72-G74 PolarHBondContact O-N 3.43Å; L72-K75 HydrophobicContact CB-CB 4.37Å; L72-K75 HydrophobicContact CB-CG 3.91Å; L72-K75 HydrophobicContact CD2-CG 4.13Å; L72-K75 VanDerWaalsContact O-CB 3.31Å; L72-K75 WeakPolarHBondContact O-CB 3.17Å; L72-K75 VanDerWaalsContact O-CG 3.23Å; L72-K75 WeakPolarHBondContact O-CG 3.42Å; L72-K75 PolarHBondContact O-N 2.83Å; L72-K75 VanDerWaalsContact O-N 3.11Å; L72-F77 HydrophobicContact CD1-CE2 4.48Å; L72-F77 HydrophobicContact CD1-CZ 4.23Å; L72-F87 HydrophobicContact CD1-CD1 3.9Å; L72-F87 HydrophobicContact CD1-CE1 4.08Å; L72-I91 CarbonylContact C-O 3.58Å; L72-I91 VanDerWaalsContact C-O 3.26Å; L72-I91 VanDerWaalsContact CA-O 3.3Å; L72-I91 WeakPolarHBondContact CA-O 3.46Å; L72-I91 PolarHBondContact N-O 2.85Å; L72-L92 HydrophobicContact CB-CD2 3.59Å; L72-L92 HydrophobicContact CB-CG 4.49Å; L72-L92 HydrophobicContact CD1-CD2 3.87Å; L72-L92 HydrophobicContact CG-CD2 4.37Å
73	T	97.9	Very high	93.1	Very high	68 Å²	68	56.3 Å²	56.3	42%	0.417	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	128.4	177.2	-62	0	0	0	0	110.9	D71 K75 I91 R93	D71-T73 WeakPolarHBondContact OD1-CB 3.41Å; D71-T73 PolarHBondContact OD1-N 3.45Å; D71-T73 PolarHBondContact OD1-OG1 2.54Å; T73-K75 PolarHBondContact O-N 2.75Å; T73-K75 VanDerWaalsContact O-N 3.16Å; T73-I91 PolarHBondContact N-O 2.97Å; T73-I91 WeakPolarHBondContact OG1-CG2 3.47Å; T73-R93 CarbonylContact C-O 3.49Å; T73-R93 VanDerWaalsContact CA-O 3.28Å; T73-R93 WeakPolarHBondContact CA-O 3.43Å; T73-R93 HydrophobicContact CG2-CB 4.2Å; T73-R93 WeakPolarHBondContact CG2-O 3.32Å
74	G	97.5	Very high	93.7	Very high	49 Å²	49	61.5 Å²	61.5	51%	0.505	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	8.5	177.6	0	0	0	0	0	115.4	L72 R93 Q94	L72-G74 PolarHBondContact O-N 3.43Å; G74-R93 PolarHBondContact N-O 2.95Å; G74-Q94 WeakPolarHBondContact CA-O 3.47Å
75	K	96.6	Very high	94.6	Very high	60 Å²	60	59 Å²	59	26%	0.261	33%	0.33	S	S	.	.			trans	-68.3	141.1	-179.7	-69.4	-69.3	-179.7	-179.8	0	111.1	L72 T73 F77 A95 N96	L72-K75 HydrophobicContact CB-CB 4.37Å; L72-K75 HydrophobicContact CB-CG 3.91Å; L72-K75 HydrophobicContact CD2-CG 4.13Å; L72-K75 VanDerWaalsContact O-CB 3.31Å; L72-K75 WeakPolarHBondContact O-CB 3.17Å; L72-K75 VanDerWaalsContact O-CG 3.23Å; L72-K75 WeakPolarHBondContact O-CG 3.42Å; L72-K75 PolarHBondContact O-N 2.83Å; L72-K75 VanDerWaalsContact O-N 3.11Å; T73-K75 PolarHBondContact O-N 2.75Å; T73-K75 VanDerWaalsContact O-N 3.16Å; K75-F77 HydrophobicContact CB-CD2 4.17Å; K75-F77 HydrophobicContact CB-CE2 3.56Å; K75-F77 HydrophobicContact CB-CZ 4Å; K75-A95 CarbonylContact O-C 3.54Å; K75-A95 WeakPolarHBondContact O-CA 3.21Å; K75-N96 PolarHBondContact O-N 3.1Å
76	D	96.7	Very high	95.4	Very high	96 Å²	96	50.5 Å²	50.5	51%	0.513	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-95.6	112.5	178	-170.3	7.1	0	0	0	111.2	S78 Q80 N96	D76-S78 WeakPolarHBondContact OD1-CB 3.41Å; D76-S78 PolarHBondContact OD1-N 2.6Å; D76-S78 PolarHBondContact OD1-OG 3.3Å; D76-Q80 PolarHBondContact O-NE2 3.22Å; D76-N96 PolarHBondContact OD1-ND2 2.85Å
77	F	96.7	Very high	96	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.018	28%	0.275	C	S	.	.			trans	-115.5	13	174.6	-63.9	-67.9	0	0	0	112.1	L12 Y62 L72 K75 G79 Q80 L82 F87 L92 N96 F97	L12-F77 HydrophobicContact CD1-CE1 3.59Å; L12-F77 HydrophobicContact CD1-CZ 3.5Å; Y62-F77 HydrophobicContact CE2-CE1 4.48Å; L72-F77 HydrophobicContact CD1-CE2 4.48Å; L72-F77 HydrophobicContact CD1-CZ 4.23Å; K75-F77 HydrophobicContact CB-CD2 4.17Å; K75-F77 HydrophobicContact CB-CE2 3.56Å; K75-F77 HydrophobicContact CB-CZ 4Å; F77-G79 PolarHBondContact O-N 3.49Å; F77-Q80 WeakPolarHBondContact O-CB 3.23Å; F77-Q80 WeakPolarHBondContact O-CG 3.46Å; F77-Q80 PolarHBondContact O-N 2.58Å; F77-Q80 VanDerWaalsContact O-N 3.16Å; F77-L82 HydrophobicContact CB-CD1 3.88Å; F77-L82 HydrophobicContact CD1-CD1 4.09Å; F77-L82 HydrophobicContact CG-CD1 4.14Å; F77-F87 HydrophobicContact CE1-CE1 4.49Å; F77-F87 HydrophobicContact CE2-CE1 4.3Å; F77-F87 HydrophobicContact CZ-CE1 4.08Å; F77-L92 HydrophobicContact CE2-CD2 4.16Å; F77-N96 CarbonylContact C-O 3.21Å; F77-N96 VanDerWaalsContact C-O 3.24Å; F77-N96 WeakPolarHBondContact CA-O 3.39Å; F77-N96 WeakPolarHBondContact CB-O 3.32Å; F77-N96 PolarHBondContact N-O 2.69Å; F77-F97 HydrophobicContact CB-CD1 3.43Å; F77-F97 VanDerWaalsContact CB-CD1 3.43Å; F77-F97 HydrophobicContact CB-CE1 3.62Å; F77-F97 HydrophobicContact CB-CG 4.21Å; F77-F97 AromaticContact CD2-CD1 3.96Å; F77-F97 HydrophobicContact CD2-CD1 3.96Å; F77-F97 AromaticContact CD2-CE1 3.34Å; F77-F97 HydrophobicContact CD2-CE1 3.34Å; F77-F97 HydrophobicContact CD2-CE2 4.18Å; F77-F97 AromaticContact CD2-CZ 3.48Å; F77-F97 HydrophobicContact CD2-CZ 3.48Å; F77-F97 VanDerWaalsContact CD2-CZ 3.48Å; F77-F97 HydrophobicContact CE2-CE1 4.11Å; F77-F97 AromaticContact CE2-CZ 3.95Å; F77-F97 HydrophobicContact CE2-CZ 3.95Å; F77-F97 AromaticContact CG-CD1 3.97Å; F77-F97 HydrophobicContact CG-CD1 3.97Å; F77-F97 AromaticContact CG-CE1 3.59Å; F77-F97 HydrophobicContact CG-CE1 3.59Å; F77-F97 HydrophobicContact CG-CZ 4.22Å
78	S	98	Very high	96.2	Very high	48 Å²	48	50.8 Å²	50.8	34%	0.336	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	137.5	-176.1	58.9	0	0	0	0	112.3	D76 Q80 N96 K98	D76-S78 WeakPolarHBondContact OD1-CB 3.41Å; D76-S78 PolarHBondContact OD1-N 2.6Å; D76-S78 PolarHBondContact OD1-OG 3.3Å; S78-Q80 PolarHBondContact O-N 3.19Å; S78-N96 PolarHBondContact N-O 3.46Å; S78-N96 VanDerWaalsContact N-O 3.1Å; S78-K98 CarbonylContact C-O 3.51Å; S78-K98 VanDerWaalsContact CA-O 3.27Å; S78-K98 WeakPolarHBondContact CA-O 3.43Å; S78-K98 WeakPolarHBondContact CB-O 3.3Å
79	G	96.7	Very high	96.4	Very high	54 Å²	54	48.9 Å²	48.9	56%	0.557	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	1.6	-178.5	0	0	0	0	0	115.8	F77 K98	F77-G79 PolarHBondContact O-N 3.49Å; G79-K98 PolarHBondContact N-O 3.01Å
80	Q	95.7	Very high	96.6	Very high	51 Å²	51	46.9 Å²	46.9	24%	0.238	27%	0.267	C	S	.	.			trans	-74.3	149.5	-175.8	-65	-167.8	26.9	0	0	112	Y62 D76 F77 S78 L82 A100 K101	Y62-Q80 PolarHBondContact OH-OE1 2.93Å; D76-Q80 PolarHBondContact O-NE2 3.22Å; F77-Q80 WeakPolarHBondContact O-CB 3.23Å; F77-Q80 WeakPolarHBondContact O-CG 3.46Å; F77-Q80 PolarHBondContact O-N 2.58Å; F77-Q80 VanDerWaalsContact O-N 3.16Å; S78-Q80 PolarHBondContact O-N 3.19Å; Q80-L82 HydrophobicContact CB-CD1 4.27Å; Q80-L82 HydrophobicContact CB-CG 4.03Å; Q80-A100 CarbonylContact O-C 3.56Å; Q80-A100 WeakPolarHBondContact O-CA 3.31Å; Q80-K101 PolarHBondContact O-N 3.05Å
81	T	95.5	Very high	96.7	Very high	73 Å²	73	47 Å²	47	45%	0.448	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-88.1	109.7	168.1	-60.5	0	0	0	0	108.8	P61 I83 K101	P61-T81 WeakPolarHBondContact CG-O 3.09Å; T81-I83 HydrophobicContact CG2-CD1 3.92Å; T81-I83 HydrophobicContact CG2-CG1 3.96Å; T81-K101 HydrophobicContact CG2-CB 4.5Å
82	L	95.9	Very high	96.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.246	C	C	.	.			trans	-126.1	29.1	-173.6	-71.7	173.7	0	0	0	111.6	P61 Y62 F77 Q80 R84 Q85 F87 F97 K101 L102	P61-L82 HydrophobicContact CG-CD2 4.41Å; Y62-L82 HydrophobicContact CD2-CD2 3.6Å; Y62-L82 HydrophobicContact CE2-CD2 3.44Å; Y62-L82 VanDerWaalsContact CE2-CD2 3.44Å; F77-L82 HydrophobicContact CB-CD1 3.88Å; F77-L82 HydrophobicContact CD1-CD1 4.09Å; F77-L82 HydrophobicContact CG-CD1 4.14Å; Q80-L82 HydrophobicContact CB-CD1 4.27Å; Q80-L82 HydrophobicContact CB-CG 4.03Å; L82-R84 PolarHBondContact O-N 3.29Å; L82-Q85 HydrophobicContact CB-CB 4.11Å; L82-Q85 HydrophobicContact CD2-CB 4.26Å; L82-Q85 HydrophobicContact CD2-CG 4.12Å; L82-Q85 WeakPolarHBondContact O-CB 3.21Å; L82-Q85 PolarHBondContact O-N 3.41Å; L82-F87 HydrophobicContact CD1-CE2 4.3Å; L82-F87 HydrophobicContact CD1-CZ 3.98Å; L82-F87 HydrophobicContact CD2-CZ 4.22Å; L82-F97 HydrophobicContact CD1-CD1 3.93Å; L82-F97 HydrophobicContact CD1-CE1 3.82Å; L82-K101 CarbonylContact C-O 3.26Å; L82-K101 WeakPolarHBondContact CA-O 3.27Å; L82-K101 PolarHBondContact N-O 3.03Å; L82-L102 HydrophobicContact CB-CD2 3.5Å; L82-L102 VanDerWaalsContact CB-CD2 3.5Å; L82-L102 HydrophobicContact CB-CG 4.27Å; L82-L102 HydrophobicContact CD1-CD2 3.85Å; L82-L102 HydrophobicContact CG-CD2 4.35Å
83	I	94.9	Very high	96.9	Very high	62 Å²	62	48.5 Å²	48.5	32%	0.318	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	125.1	-179.1	-62.9	175	0	0	0	109.3	T81 Q85 K101 L103	T81-I83 HydrophobicContact CG2-CD1 3.92Å; T81-I83 HydrophobicContact CG2-CG1 3.96Å; I83-Q85 PolarHBondContact O-N 3.28Å; I83-Q85 VanDerWaalsContact O-N 3.15Å; I83-K101 HydrophobicContact CG1-CB 4.37Å; I83-K101 PolarHBondContact N-O 2.86Å; I83-K101 VanDerWaalsContact N-O 3.16Å; I83-L103 CarbonylContact C-O 3.34Å; I83-L103 WeakPolarHBondContact CA-O 3.28Å; I83-L103 HydrophobicContact CG1-CB 4.24Å; I83-L103 HydrophobicContact CG2-CB 4.31Å; I83-L103 HydrophobicContact CG2-CD2 4.47Å; I83-L103 WeakPolarHBondContact CG2-O 3.44Å
84	R	94.9	Very high	97	Very high	128 Å²	128	51.3 Å²	51.3	48%	0.483	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	24.3	-179.4	-62	-177.5	-84.5	-167.5	-10.2	114.6	F56 G60 L82 L103 G104	F56-R84 VanDerWaalsContact CZ-CZ 3.47Å; G60-R84 PolarHBondContact N-O 3.26Å; L82-R84 PolarHBondContact O-N 3.29Å; R84-L103 PolarHBondContact N-O 2.91Å; R84-G104 WeakPolarHBondContact CA-O 3.43Å
85	Q	96.4	Very high	97	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.252	C	S	.	.			trans	-66.6	141	171.1	-171.9	62.9	55.3	0	0	110.4	G60 P61 G63 T67 L82 I83 F87 A105 S106	G60-Q85 PolarHBondContact O-OE1 3.12Å; P61-Q85 VanDerWaalsContact N-OE1 3.1Å; G63-Q85 PolarHBondContact O-NE2 3.36Å; T67-Q85 HydrophobicContact CG2-CG 4.39Å; T67-Q85 PolarHBondContact OG1-NE2 2.78Å; L82-Q85 HydrophobicContact CB-CB 4.11Å; L82-Q85 HydrophobicContact CD2-CB 4.26Å; L82-Q85 HydrophobicContact CD2-CG 4.12Å; L82-Q85 WeakPolarHBondContact O-CB 3.21Å; L82-Q85 PolarHBondContact O-N 3.41Å; I83-Q85 PolarHBondContact O-N 3.28Å; I83-Q85 VanDerWaalsContact O-N 3.15Å; Q85-F87 HydrophobicContact CB-CD2 4.22Å; Q85-F87 HydrophobicContact CB-CE2 3.63Å; Q85-F87 HydrophobicContact CB-CZ 4.16Å; Q85-F87 HydrophobicContact CG-CD2 3.94Å; Q85-F87 HydrophobicContact CG-CE1 4.08Å; Q85-F87 HydrophobicContact CG-CE2 3.35Å; Q85-F87 HydrophobicContact CG-CZ 3.43Å; Q85-F87 VanDerWaalsContact CG-CZ 3.43Å; Q85-A105 CarbonylContact O-C 3.3Å; Q85-A105 WeakPolarHBondContact O-CA 3.31Å; Q85-S106 PolarHBondContact O-N 2.85Å
86	D	95.9	Very high	97.1	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-102.5	107.3	179.7	173.2	-9.7	0	0	0	109.8	Q64 T67 R68 K88	Q64-D86 HydrophobicContact CB-CB 4.25Å; Q64-D86 HydrophobicContact CG-CB 4.27Å; Q64-D86 PolarHBondContact OE1-OD2 3.16Å; T67-D86 WeakPolarHBondContact CB-O 2.98Å; T67-D86 PolarHBondContact OG1-O 3Å; R68-D86 IonicContact CZ-OD1 3.15Å; R68-D86 IonicContact CZ-OD2 3.96Å; R68-D86 PolarHBondContact N-O 3.31Å; R68-D86 IonicContact NE-OD1 2.83Å; R68-D86 PolarHBondContact NE-OD1 2.82Å; R68-D86 IonicContact NE-OD2 3.49Å; R68-D86 PolarHBondContact NE-OD2 2.64Å; R68-D86 IonicContact NH2-OD1 3.87Å; R68-D86 IonicContact NH2-OD2 2.68Å; R68-D86 PolarHBondContact NH2-OD2 2.83Å; D86-K88 WeakPolarHBondContact OD1-CB 3.33Å; D86-K88 WeakPolarHBondContact OD1-CG 3.42Å; D86-K88 PolarHBondContact OD1-N 3.11Å
87	F	97.4	Very high	97.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.			trans	-107.4	25.5	171.6	-61.5	-79.3	0	0	0	111.4	T67 L72 F77 L82 Q85 T89 S90 L92 F97 L102 S106 F107	T67-F87 HydrophobicContact CG2-CD1 4.12Å; T67-F87 HydrophobicContact CG2-CE1 3.68Å; T67-F87 HydrophobicContact CG2-CZ 4.44Å; L72-F87 HydrophobicContact CD1-CD1 3.9Å; L72-F87 HydrophobicContact CD1-CE1 4.08Å; F77-F87 HydrophobicContact CE1-CE1 4.49Å; F77-F87 HydrophobicContact CE2-CE1 4.3Å; F77-F87 HydrophobicContact CZ-CE1 4.08Å; L82-F87 HydrophobicContact CD1-CE2 4.3Å; L82-F87 HydrophobicContact CD1-CZ 3.98Å; L82-F87 HydrophobicContact CD2-CZ 4.22Å; Q85-F87 HydrophobicContact CB-CD2 4.22Å; Q85-F87 HydrophobicContact CB-CE2 3.63Å; Q85-F87 HydrophobicContact CB-CZ 4.16Å; Q85-F87 HydrophobicContact CG-CD2 3.94Å; Q85-F87 HydrophobicContact CG-CE1 4.08Å; Q85-F87 HydrophobicContact CG-CE2 3.35Å; Q85-F87 HydrophobicContact CG-CZ 3.43Å; Q85-F87 VanDerWaalsContact CG-CZ 3.43Å; F87-T89 PolarHBondContact O-N 2.97Å; F87-S90 WeakPolarHBondContact O-CB 3.35Å; F87-S90 PolarHBondContact O-N 2.88Å; F87-S90 PolarHBondContact O-OG 2.75Å; F87-L92 HydrophobicContact CB-CD1 3.82Å; F87-L92 HydrophobicContact CD1-CD1 4.16Å; F87-L92 HydrophobicContact CD1-CD2 4.28Å; F87-L92 HydrophobicContact CG-CD1 4.07Å; F87-F97 HydrophobicContact CE1-CE1 4.39Å; F87-F97 HydrophobicContact CE1-CZ 4.33Å; F87-F97 HydrophobicContact CE2-CE1 4.08Å; F87-F97 HydrophobicContact CE2-CZ 4.42Å; F87-F97 AromaticContact CZ-CE1 3.83Å; F87-F97 HydrophobicContact CZ-CE1 3.83Å; F87-F97 HydrophobicContact CZ-CZ 4.17Å; F87-L102 HydrophobicContact CE2-CD2 4.09Å; F87-S106 CarbonylContact C-O 3.52Å; F87-S106 WeakPolarHBondContact CA-O 3.45Å; F87-S106 WeakPolarHBondContact CB-O 3.2Å; F87-S106 PolarHBondContact N-O 2.91Å; F87-F107 HydrophobicContact CB-CD1 3.77Å; F87-F107 HydrophobicContact CB-CE1 4.07Å; F87-F107 AromaticContact CD2-CD1 4Å; F87-F107 HydrophobicContact CD2-CD1 4Å; F87-F107 AromaticContact CD2-CE1 3.48Å; F87-F107 HydrophobicContact CD2-CE1 3.48Å; F87-F107 VanDerWaalsContact CD2-CE1 3.48Å; F87-F107 HydrophobicContact CD2-CZ 4.04Å; F87-F107 HydrophobicContact CE2-CE1 4.1Å; F87-F107 HydrophobicContact CE2-CZ 4.38Å; F87-F107 HydrophobicContact CG-CD1 4.16Å; F87-F107 AromaticContact CG-CE1 3.93Å; F87-F107 HydrophobicContact CG-CE1 3.93Å
88	K	97.2	Very high	97.3	Very high	61 Å²	61	48.4 Å²	48.4	27%	0.265	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	138.3	-178.3	-63.8	-164.8	-176.1	-175.4	0	110	R68 G69 D86 S90 S106 F108	R68-K88 HydrophobicContact CG-CB 4.41Å; R68-K88 WeakPolarHBondContact CG-O 2.95Å; G69-K88 PolarHBondContact N-O 3.15Å; D86-K88 WeakPolarHBondContact OD1-CB 3.33Å; D86-K88 WeakPolarHBondContact OD1-CG 3.42Å; D86-K88 PolarHBondContact OD1-N 3.11Å; K88-S90 PolarHBondContact O-N 3.21Å; K88-S90 PolarHBondContact O-OG 2.77Å; K88-S106 WeakPolarHBondContact CE-OG 3.18Å; K88-S106 WeakPolarHBondContact CG-OG 3.44Å; K88-F108 CarbonylContact C-O 3.16Å; K88-F108 VanDerWaalsContact CA-O 3.26Å; K88-F108 WeakPolarHBondContact CA-O 3.32Å; K88-F108 HydrophobicContact CB-CB 4.44Å; K88-F108 HydrophobicContact CD-CB 3.85Å; K88-F108 HydrophobicContact CD-CD1 4.29Å; K88-F108 HydrophobicContact CD-CG 4.33Å; K88-F108 HydrophobicContact CG-CB 3.77Å
89	T	97.5	Very high	97.3	Very high	68 Å²	68	47.7 Å²	47.7	42%	0.417	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	18.6	178.5	72.6	0	0	0	0	115	G69 F87 F108 D109	G69-T89 WeakPolarHBondContact CA-OG1 3.33Å; F87-T89 PolarHBondContact O-N 2.97Å; T89-F108 PolarHBondContact N-O 3.06Å; T89-D109 WeakPolarHBondContact CA-O 3.2Å; T89-D109 HydrophobicContact CG2-CB 4.24Å
90	S	98	Very high	97.4	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.007	22%	0.22	C	C	.	.			trans	-87.5	151.4	-178	-57.4	0	0	0	0	111.9	T67 G69 Q70 F87 K88 A110 D111	T67-S90 PolarHBondContact O-OG 3.16Å; G69-S90 PolarHBondContact N-OG 2.76Å; Q70-S90 PolarHBondContact N-OG 3.27Å; Q70-S90 WeakPolarHBondContact O-CA 3.39Å; Q70-S90 WeakPolarHBondContact O-CB 3.31Å; F87-S90 WeakPolarHBondContact O-CB 3.35Å; F87-S90 PolarHBondContact O-N 2.88Å; F87-S90 PolarHBondContact O-OG 2.75Å; K88-S90 PolarHBondContact O-N 3.21Å; K88-S90 PolarHBondContact O-OG 2.77Å; S90-A110 WeakPolarHBondContact O-CA 3.37Å; S90-D111 PolarHBondContact O-N 3.12Å
91	I	98.5	Very high	97.6	Very high	69 Å²	69	48 Å²	48	35%	0.354	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-91.3	109.4	171.1	-54.1	173.3	0	0	0	107.2	Q70 L72 T73 R93	Q70-I91 PolarHBondContact O-N 2.86Å; L72-I91 CarbonylContact C-O 3.58Å; L72-I91 VanDerWaalsContact C-O 3.26Å; L72-I91 VanDerWaalsContact CA-O 3.3Å; L72-I91 WeakPolarHBondContact CA-O 3.46Å; L72-I91 PolarHBondContact N-O 2.85Å; T73-I91 PolarHBondContact N-O 2.97Å; T73-I91 WeakPolarHBondContact OG1-CG2 3.47Å; I91-R93 HydrophobicContact CG2-CB 4.46Å; I91-R93 HydrophobicContact CG2-CG 3.9Å
92	L	98.6	Very high	97.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.211	C	C	.	.			trans	-117.4	24.7	-176.4	-74.8	169.2	0	0	0	112	L72 F77 F87 Q94 A95 F97 F107 A110 D111 L112	L72-L92 HydrophobicContact CB-CD2 3.59Å; L72-L92 HydrophobicContact CB-CG 4.49Å; L72-L92 HydrophobicContact CD1-CD2 3.87Å; L72-L92 HydrophobicContact CG-CD2 4.37Å; F77-L92 HydrophobicContact CE2-CD2 4.16Å; F87-L92 HydrophobicContact CB-CD1 3.82Å; F87-L92 HydrophobicContact CD1-CD1 4.16Å; F87-L92 HydrophobicContact CD1-CD2 4.28Å; F87-L92 HydrophobicContact CG-CD1 4.07Å; L92-Q94 PolarHBondContact O-N 3.16Å; L92-A95 HydrophobicContact CB-CB 4.19Å; L92-A95 HydrophobicContact CD2-CB 3.99Å; L92-A95 WeakPolarHBondContact O-CB 3.26Å; L92-A95 PolarHBondContact O-N 3.14Å; L92-F97 HydrophobicContact CD1-CE2 4.14Å; L92-F97 HydrophobicContact CD1-CZ 4.04Å; L92-F97 HydrophobicContact CD2-CE2 3.9Å; L92-F97 HydrophobicContact CD2-CZ 3.68Å; L92-F97 HydrophobicContact CG-CE2 4.45Å; L92-F97 HydrophobicContact CG-CZ 4.46Å; L92-F107 HydrophobicContact CD1-CD1 3.68Å; L92-F107 HydrophobicContact CD1-CE1 3.78Å; L92-A110 HydrophobicContact CD1-CB 4.46Å; L92-D111 CarbonylContact C-O 3.6Å; L92-D111 VanDerWaalsContact C-O 3.3Å; L92-D111 WeakPolarHBondContact CA-O 3.14Å; L92-D111 PolarHBondContact N-O 2.95Å; L92-L112 HydrophobicContact CB-CD2 3.72Å; L92-L112 HydrophobicContact CB-CG 4.33Å; L92-L112 HydrophobicContact CD1-CD2 3.67Å; L92-L112 HydrophobicContact CD1-CG 4.39Å; L92-L112 HydrophobicContact CG-CD2 4.36Å
93	R	98.8	Very high	97.8	Very high	124 Å²	124	47.8 Å²	47.8	47%	0.468	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	131.1	179.6	-65.1	-178.9	174.8	-178.3	1.6	110.2	T73 G74 I91 A95 D111 T113	T73-R93 CarbonylContact C-O 3.49Å; T73-R93 VanDerWaalsContact CA-O 3.28Å; T73-R93 WeakPolarHBondContact CA-O 3.43Å; T73-R93 HydrophobicContact CG2-CB 4.2Å; T73-R93 WeakPolarHBondContact CG2-O 3.32Å; G74-R93 PolarHBondContact N-O 2.95Å; I91-R93 HydrophobicContact CG2-CB 4.46Å; I91-R93 HydrophobicContact CG2-CG 3.9Å; R93-A95 PolarHBondContact O-N 3.39Å; R93-D111 IonicContact CZ-OD2 3.2Å; R93-D111 PolarHBondContact N-O 2.95Å; R93-D111 IonicContact NE-OD1 3.29Å; R93-D111 IonicContact NE-OD2 2.99Å; R93-D111 PolarHBondContact NE-OD2 2.76Å; R93-D111 IonicContact NH2-OD2 3.91Å; R93-D111 PolarHBondContact NH2-OD2 3.04Å; R93-T113 VanDerWaalsContact CA-O 3.31Å; R93-T113 WeakPolarHBondContact CA-O 3.38Å
94	Q	98.7	Very high	97.9	Very high	128 Å²	128	46.3 Å²	46.3	60%	0.598	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	14.2	-179.6	-53.7	-68.7	-47.4	0	0	114.7	G74 L92 T113 G114	G74-Q94 WeakPolarHBondContact CA-O 3.47Å; L92-Q94 PolarHBondContact O-N 3.16Å; Q94-T113 PolarHBondContact N-O 2.94Å; Q94-T113 VanDerWaalsContact N-O 3.13Å; Q94-G114 PolarHBondContact NE2-O 2.9Å
95	A	98.6	Very high	98	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.205	C	C	.	.			trans	-65.9	143.5	174.9	0	0	0	0	0	110	K75 L92 R93 F97 A115 D116	K75-A95 CarbonylContact O-C 3.54Å; K75-A95 WeakPolarHBondContact O-CA 3.21Å; L92-A95 HydrophobicContact CB-CB 4.19Å; L92-A95 HydrophobicContact CD2-CB 3.99Å; L92-A95 WeakPolarHBondContact O-CB 3.26Å; L92-A95 PolarHBondContact O-N 3.14Å; R93-A95 PolarHBondContact O-N 3.39Å; A95-F97 HydrophobicContact CB-CD2 4.15Å; A95-F97 HydrophobicContact CB-CE2 3.68Å; A95-F97 HydrophobicContact CB-CZ 4.45Å; A95-A115 CarbonylContact O-C 3.52Å; A95-A115 VanDerWaalsContact O-CA 3.24Å; A95-A115 WeakPolarHBondContact O-CA 3.18Å; A95-A115 WeakPolarHBondContact O-CB 3.34Å; A95-D116 PolarHBondContact O-N 2.7Å
96	N	98.7	Very high	98.1	Very high	47 Å²	47	40.9 Å²	40.9	25%	0.251	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-100.8	110.4	179.4	-180	8.7	0	0	0	109.7	K75 D76 F77 S78 K98	K75-N96 PolarHBondContact O-N 3.1Å; D76-N96 PolarHBondContact OD1-ND2 2.85Å; F77-N96 CarbonylContact C-O 3.21Å; F77-N96 VanDerWaalsContact C-O 3.24Å; F77-N96 WeakPolarHBondContact CA-O 3.39Å; F77-N96 WeakPolarHBondContact CB-O 3.32Å; F77-N96 PolarHBondContact N-O 2.69Å; S78-N96 PolarHBondContact N-O 3.46Å; S78-N96 VanDerWaalsContact N-O 3.1Å; N96-K98 WeakPolarHBondContact OD1-CB 3.2Å; N96-K98 PolarHBondContact OD1-N 2.91Å
97	F	98.8	Very high	98.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.			trans	-113.2	18.9	173.8	-68.7	-80.9	0	0	0	112	F77 L82 F87 L92 A95 G99 A100 L102 F107 L112 D116 L117	F77-F97 HydrophobicContact CB-CD1 3.43Å; F77-F97 VanDerWaalsContact CB-CD1 3.43Å; F77-F97 HydrophobicContact CB-CE1 3.62Å; F77-F97 HydrophobicContact CB-CG 4.21Å; F77-F97 AromaticContact CD2-CD1 3.96Å; F77-F97 HydrophobicContact CD2-CD1 3.96Å; F77-F97 AromaticContact CD2-CE1 3.34Å; F77-F97 HydrophobicContact CD2-CE1 3.34Å; F77-F97 HydrophobicContact CD2-CE2 4.18Å; F77-F97 AromaticContact CD2-CZ 3.48Å; F77-F97 HydrophobicContact CD2-CZ 3.48Å; F77-F97 VanDerWaalsContact CD2-CZ 3.48Å; F77-F97 HydrophobicContact CE2-CE1 4.11Å; F77-F97 AromaticContact CE2-CZ 3.95Å; F77-F97 HydrophobicContact CE2-CZ 3.95Å; F77-F97 AromaticContact CG-CD1 3.97Å; F77-F97 HydrophobicContact CG-CD1 3.97Å; F77-F97 AromaticContact CG-CE1 3.59Å; F77-F97 HydrophobicContact CG-CE1 3.59Å; F77-F97 HydrophobicContact CG-CZ 4.22Å; L82-F97 HydrophobicContact CD1-CD1 3.93Å; L82-F97 HydrophobicContact CD1-CE1 3.82Å; F87-F97 HydrophobicContact CE1-CE1 4.39Å; F87-F97 HydrophobicContact CE1-CZ 4.33Å; F87-F97 HydrophobicContact CE2-CE1 4.08Å; F87-F97 HydrophobicContact CE2-CZ 4.42Å; F87-F97 AromaticContact CZ-CE1 3.83Å; F87-F97 HydrophobicContact CZ-CE1 3.83Å; F87-F97 HydrophobicContact CZ-CZ 4.17Å; L92-F97 HydrophobicContact CD1-CE2 4.14Å; L92-F97 HydrophobicContact CD1-CZ 4.04Å; L92-F97 HydrophobicContact CD2-CE2 3.9Å; L92-F97 HydrophobicContact CD2-CZ 3.68Å; L92-F97 HydrophobicContact CG-CE2 4.45Å; L92-F97 HydrophobicContact CG-CZ 4.46Å; A95-F97 HydrophobicContact CB-CD2 4.15Å; A95-F97 HydrophobicContact CB-CE2 3.68Å; A95-F97 HydrophobicContact CB-CZ 4.45Å; F97-G99 PolarHBondContact O-N 2.67Å; F97-A100 HydrophobicContact CB-CB 4.26Å; F97-A100 HydrophobicContact CD1-CB 4.49Å; F97-A100 WeakPolarHBondContact O-CB 3.48Å; F97-A100 PolarHBondContact O-N 2.77Å; F97-L102 HydrophobicContact CB-CD1 4.13Å; F97-L102 HydrophobicContact CD1-CD1 3.95Å; F97-L102 HydrophobicContact CD1-CD2 4.38Å; F97-L102 HydrophobicContact CE1-CD2 4.47Å; F97-L102 HydrophobicContact CG-CD1 4.23Å; F97-F107 HydrophobicContact CE1-CE1 4.49Å; F97-F107 HydrophobicContact CE2-CE1 4.35Å; F97-F107 HydrophobicContact CZ-CE1 4.03Å; F97-L112 HydrophobicContact CE2-CD2 4.21Å; F97-D116 CarbonylContact C-O 3.24Å; F97-D116 VanDerWaalsContact CA-O 3.25Å; F97-D116 WeakPolarHBondContact CA-O 3.4Å; F97-D116 WeakPolarHBondContact CB-O 3.18Å; F97-D116 PolarHBondContact N-O 3.31Å; F97-L117 HydrophobicContact CB-CD2 3.38Å; F97-L117 HydrophobicContact CB-CG 4.11Å; F97-L117 HydrophobicContact CD2-CD2 4.06Å; F97-L117 HydrophobicContact CD2-CG 4.41Å; F97-L117 HydrophobicContact CG-CD2 3.87Å
98	K	98.8	Very high	98.2	Very high	101 Å²	101	44.2 Å²	44.2	44%	0.439	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	124.7	-177.3	178.4	172.1	-178.6	173.3	0	111.7	S78 G79 N96 A100 D116 S118	S78-K98 CarbonylContact C-O 3.51Å; S78-K98 VanDerWaalsContact CA-O 3.27Å; S78-K98 WeakPolarHBondContact CA-O 3.43Å; S78-K98 WeakPolarHBondContact CB-O 3.3Å; G79-K98 PolarHBondContact N-O 3.01Å; N96-K98 WeakPolarHBondContact OD1-CB 3.2Å; N96-K98 PolarHBondContact OD1-N 2.91Å; K98-A100 PolarHBondContact O-N 2.99Å; K98-D116 PolarHBondContact N-O 3.19Å; K98-S118 CarbonylContact C-O 3.2Å; K98-S118 VanDerWaalsContact CA-O 3.28Å; K98-S118 WeakPolarHBondContact CA-O 3.34Å
99	G	98.7	Very high	98.3	Very high	32 Å²	32	45.2 Å²	45.2	33%	0.33	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	13.8	-179.8	0	0	0	0	0	115.2	F97 S118	F97-G99 PolarHBondContact O-N 2.67Å; G99-S118 PolarHBondContact N-O 3.25Å
100	A	98.6	Very high	98.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.			trans	-71.5	148.2	178.7	0	0	0	0	0	111.6	Q80 F97 K98 L102 A120 D121	Q80-A100 CarbonylContact O-C 3.56Å; Q80-A100 WeakPolarHBondContact O-CA 3.31Å; F97-A100 HydrophobicContact CB-CB 4.26Å; F97-A100 HydrophobicContact CD1-CB 4.49Å; F97-A100 WeakPolarHBondContact O-CB 3.48Å; F97-A100 PolarHBondContact O-N 2.77Å; K98-A100 PolarHBondContact O-N 2.99Å; A100-L102 HydrophobicContact CB-CD1 4.06Å; A100-L102 HydrophobicContact CB-CG 4.14Å; A100-A120 WeakPolarHBondContact O-CA 3.2Å; A100-D121 PolarHBondContact O-N 3.3Å
101	K	98.3	Very high	98.4	Very high	111 Å²	111	43.4 Å²	43.4	48%	0.483	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-92.6	102.6	172.5	-57	179.4	-179.8	176.7	0	109.4	Q80 T81 L82 I83	Q80-K101 PolarHBondContact O-N 3.05Å; T81-K101 HydrophobicContact CG2-CB 4.5Å; L82-K101 CarbonylContact C-O 3.26Å; L82-K101 WeakPolarHBondContact CA-O 3.27Å; L82-K101 PolarHBondContact N-O 3.03Å; I83-K101 HydrophobicContact CG1-CB 4.37Å; I83-K101 PolarHBondContact N-O 2.86Å; I83-K101 VanDerWaalsContact N-O 3.16Å
102	L	98.3	Very high	98.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.			trans	-117	22.7	-172.3	-74.5	161.6	0	0	0	112.4	L82 F87 F97 A100 G104 A105 F107 L117 A120 D121 L122	L82-L102 HydrophobicContact CB-CD2 3.5Å; L82-L102 VanDerWaalsContact CB-CD2 3.5Å; L82-L102 HydrophobicContact CB-CG 4.27Å; L82-L102 HydrophobicContact CD1-CD2 3.85Å; L82-L102 HydrophobicContact CG-CD2 4.35Å; F87-L102 HydrophobicContact CE2-CD2 4.09Å; F97-L102 HydrophobicContact CB-CD1 4.13Å; F97-L102 HydrophobicContact CD1-CD1 3.95Å; F97-L102 HydrophobicContact CD1-CD2 4.38Å; F97-L102 HydrophobicContact CE1-CD2 4.47Å; F97-L102 HydrophobicContact CG-CD1 4.23Å; A100-L102 HydrophobicContact CB-CD1 4.06Å; A100-L102 HydrophobicContact CB-CG 4.14Å; L102-G104 PolarHBondContact O-N 3Å; L102-A105 HydrophobicContact CB-CB 4.01Å; L102-A105 HydrophobicContact CD2-CB 3.69Å; L102-A105 WeakPolarHBondContact O-CB 3.33Å; L102-A105 PolarHBondContact O-N 2.73Å; L102-F107 HydrophobicContact CD1-CE2 4.41Å; L102-F107 HydrophobicContact CD1-CZ 3.98Å; L102-F107 HydrophobicContact CD2-CE2 4.36Å; L102-F107 HydrophobicContact CD2-CZ 3.81Å; L102-F107 HydrophobicContact CG-CZ 4.45Å; L102-L117 HydrophobicContact CD1-CD2 3.59Å; L102-A120 HydrophobicContact CD1-CB 4.42Å; L102-D121 CarbonylContact C-O 3.45Å; L102-D121 WeakPolarHBondContact CA-O 3.38Å; L102-D121 WeakPolarHBondContact CB-O 3.17Å; L102-D121 PolarHBondContact N-O 2.99Å; L102-L122 HydrophobicContact CB-CD2 3.72Å; L102-L122 HydrophobicContact CD1-CD2 3.73Å; L102-L122 HydrophobicContact CG-CD2 4.37Å
103	L	97.9	Very high	98.4	Very high	69 Å²	69	41.7 Å²	41.7	36%	0.361	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	116.8	175.6	179	75.3	0	0	0	110.8	I83 R84 A105 D121 R123	I83-L103 CarbonylContact C-O 3.34Å; I83-L103 WeakPolarHBondContact CA-O 3.28Å; I83-L103 HydrophobicContact CG1-CB 4.24Å; I83-L103 HydrophobicContact CG2-CB 4.31Å; I83-L103 HydrophobicContact CG2-CD2 4.47Å; I83-L103 WeakPolarHBondContact CG2-O 3.44Å; R84-L103 PolarHBondContact N-O 2.91Å; L103-A105 PolarHBondContact O-N 2.7Å; L103-D121 PolarHBondContact N-O 2.89Å; L103-R123 CarbonylContact C-O 3.51Å; L103-R123 WeakPolarHBondContact CA-O 3.21Å; L103-R123 HydrophobicContact CD1-CB 3.65Å; L103-R123 WeakPolarHBondContact CD1-O 3.36Å
104	G	97.1	Very high	98.4	Very high	32 Å²	32	36.5 Å²	36.5	33%	0.33	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	14.7	-179.4	0	0	0	0	0	115.8	R84 L102 R123	R84-G104 WeakPolarHBondContact CA-O 3.43Å; L102-G104 PolarHBondContact O-N 3Å; G104-R123 PolarHBondContact N-O 3.25Å
105	A	98	Very high	98.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.			trans	-63.6	147.9	173.5	0	0	0	0	0	110.5	Q85 L102 L103 F107 A125 D126	Q85-A105 CarbonylContact O-C 3.3Å; Q85-A105 WeakPolarHBondContact O-CA 3.31Å; L102-A105 HydrophobicContact CB-CB 4.01Å; L102-A105 HydrophobicContact CD2-CB 3.69Å; L102-A105 WeakPolarHBondContact O-CB 3.33Å; L102-A105 PolarHBondContact O-N 2.73Å; L103-A105 PolarHBondContact O-N 2.7Å; A105-F107 HydrophobicContact CB-CE2 4.12Å; A105-F107 HydrophobicContact CB-CZ 4.47Å; A105-A125 CarbonylContact O-C 3.5Å; A105-A125 WeakPolarHBondContact O-CA 3.36Å; A105-A125 WeakPolarHBondContact O-CB 3.43Å; A105-D126 PolarHBondContact O-N 2.86Å
106	S	97.5	Very high	98.4	Very high	15 Å²	15	32.5 Å²	32.5	11%	0.105	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-109.9	121.1	178.8	-171.8	0	0	0	0	110.8	Q85 F87 K88	Q85-S106 PolarHBondContact O-N 2.85Å; F87-S106 CarbonylContact C-O 3.52Å; F87-S106 WeakPolarHBondContact CA-O 3.45Å; F87-S106 WeakPolarHBondContact CB-O 3.2Å; F87-S106 PolarHBondContact N-O 2.91Å; K88-S106 WeakPolarHBondContact CE-OG 3.18Å; K88-S106 WeakPolarHBondContact CG-OG 3.44Å
107	F	98.5	Very high	98.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.			trans	-111	24.7	171	-59.8	-76.2	0	0	0	110.9	F87 L92 F97 L102 A105 D109 A110 L112 L122 D126 F127 A130	F87-F107 HydrophobicContact CB-CD1 3.77Å; F87-F107 HydrophobicContact CB-CE1 4.07Å; F87-F107 AromaticContact CD2-CD1 4Å; F87-F107 HydrophobicContact CD2-CD1 4Å; F87-F107 AromaticContact CD2-CE1 3.48Å; F87-F107 HydrophobicContact CD2-CE1 3.48Å; F87-F107 VanDerWaalsContact CD2-CE1 3.48Å; F87-F107 HydrophobicContact CD2-CZ 4.04Å; F87-F107 HydrophobicContact CE2-CE1 4.1Å; F87-F107 HydrophobicContact CE2-CZ 4.38Å; F87-F107 HydrophobicContact CG-CD1 4.16Å; F87-F107 AromaticContact CG-CE1 3.93Å; F87-F107 HydrophobicContact CG-CE1 3.93Å; L92-F107 HydrophobicContact CD1-CD1 3.68Å; L92-F107 HydrophobicContact CD1-CE1 3.78Å; F97-F107 HydrophobicContact CE1-CE1 4.49Å; F97-F107 HydrophobicContact CE2-CE1 4.35Å; F97-F107 HydrophobicContact CZ-CE1 4.03Å; L102-F107 HydrophobicContact CD1-CE2 4.41Å; L102-F107 HydrophobicContact CD1-CZ 3.98Å; L102-F107 HydrophobicContact CD2-CE2 4.36Å; L102-F107 HydrophobicContact CD2-CZ 3.81Å; L102-F107 HydrophobicContact CG-CZ 4.45Å; A105-F107 HydrophobicContact CB-CE2 4.12Å; A105-F107 HydrophobicContact CB-CZ 4.47Å; F107-D109 PolarHBondContact O-N 2.88Å; F107-D109 VanDerWaalsContact O-N 3.15Å; F107-A110 HydrophobicContact CB-CB 4.13Å; F107-A110 WeakPolarHBondContact O-CB 3.4Å; F107-A110 PolarHBondContact O-N 3.18Å; F107-L112 HydrophobicContact CB-CD1 4.03Å; F107-L112 HydrophobicContact CD1-CD1 4.15Å; F107-L112 HydrophobicContact CD1-CD2 4.08Å; F107-L112 HydrophobicContact CD1-CG 4.49Å; F107-L112 HydrophobicContact CE1-CD2 4.19Å; F107-L112 HydrophobicContact CG-CD1 4.07Å; F107-L122 HydrophobicContact CE2-CD2 3.9Å; F107-D126 CarbonylContact C-O 3.59Å; F107-D126 VanDerWaalsContact C-O 3.3Å; F107-D126 VanDerWaalsContact CA-O 3.31Å; F107-D126 WeakPolarHBondContact CA-O 3.46Å; F107-D126 PolarHBondContact N-O 3.24Å; F107-F127 HydrophobicContact CB-CD1 3.91Å; F107-F127 HydrophobicContact CB-CE1 4.19Å; F107-F127 AromaticContact CD2-CD1 3.93Å; F107-F127 HydrophobicContact CD2-CD1 3.93Å; F107-F127 AromaticContact CD2-CE1 3.45Å; F107-F127 HydrophobicContact CD2-CE1 3.45Å; F107-F127 VanDerWaalsContact CD2-CE1 3.45Å; F107-F127 AromaticContact CD2-CZ 3.82Å; F107-F127 HydrophobicContact CD2-CZ 3.82Å; F107-F127 AromaticContact CE2-CE1 4Å; F107-F127 HydrophobicContact CE2-CE1 4Å; F107-F127 HydrophobicContact CE2-CZ 4.05Å; F107-F127 HydrophobicContact CG-CD1 4.2Å; F107-F127 AromaticContact CG-CE1 3.96Å; F107-F127 HydrophobicContact CG-CE1 3.96Å; F107-A130 WeakPolarHBondContact O-CB 3.27Å
108	F	98.1	Very high	98.5	Very high	71 Å²	71	30.6 Å²	30.6	31%	0.311	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	123.5	-178.3	175.3	-84	0	0	0	110.4	K88 T89 A110 D126 S128 L129	K88-F108 CarbonylContact C-O 3.16Å; K88-F108 VanDerWaalsContact CA-O 3.26Å; K88-F108 WeakPolarHBondContact CA-O 3.32Å; K88-F108 HydrophobicContact CB-CB 4.44Å; K88-F108 HydrophobicContact CD-CB 3.85Å; K88-F108 HydrophobicContact CD-CD1 4.29Å; K88-F108 HydrophobicContact CD-CG 4.33Å; K88-F108 HydrophobicContact CG-CB 3.77Å; T89-F108 PolarHBondContact N-O 3.06Å; F108-A110 PolarHBondContact O-N 2.76Å; F108-A110 VanDerWaalsContact O-N 3.14Å; F108-D126 PolarHBondContact N-O 2.84Å; F108-S128 WeakPolarHBondContact CA-O 3.18Å; F108-L129 HydrophobicContact CE1-CD1 4.27Å; F108-L129 HydrophobicContact CE2-CD1 3.96Å; F108-L129 HydrophobicContact CE2-CG 4.34Å; F108-L129 HydrophobicContact CZ-CD1 3.61Å; F108-L129 HydrophobicContact CZ-CG 4.45Å
109	D	98.2	Very high	98.5	Very high	82 Å²	82	29.1 Å²	29.1	44%	0.439	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	25.1	-179.2	-162.1	33.6	0	0	0	114.3	T89 F107 S128 L129	T89-D109 WeakPolarHBondContact CA-O 3.2Å; T89-D109 HydrophobicContact CG2-CB 4.24Å; F107-D109 PolarHBondContact O-N 2.88Å; F107-D109 VanDerWaalsContact O-N 3.15Å; D109-S128 PolarHBondContact N-O 2.93Å; D109-L129 HydrophobicContact CB-CB 4.14Å
110	A	98.7	Very high	98.5	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.017	15%	0.154	C	C	.	.			trans	-84.2	149.3	175.9	0	0	0	0	0	111.8	S90 L92 F107 F108 A130 N131	S90-A110 WeakPolarHBondContact O-CA 3.37Å; L92-A110 HydrophobicContact CD1-CB 4.46Å; F107-A110 HydrophobicContact CB-CB 4.13Å; F107-A110 WeakPolarHBondContact O-CB 3.4Å; F107-A110 PolarHBondContact O-N 3.18Å; F108-A110 PolarHBondContact O-N 2.76Å; F108-A110 VanDerWaalsContact O-N 3.14Å; A110-A130 WeakPolarHBondContact O-CA 3.23Å; A110-N131 PolarHBondContact O-N 2.96Å
111	D	98.8	Very high	98.5	Very high	28 Å²	28	29.5 Å²	29.5	15%	0.15	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-96.9	99.6	170.9	-173.8	-6.3	0	0	0	110.4	S90 L92 R93 T113 N131	S90-D111 PolarHBondContact O-N 3.12Å; L92-D111 CarbonylContact C-O 3.6Å; L92-D111 VanDerWaalsContact C-O 3.3Å; L92-D111 WeakPolarHBondContact CA-O 3.14Å; L92-D111 PolarHBondContact N-O 2.95Å; R93-D111 IonicContact CZ-OD2 3.2Å; R93-D111 PolarHBondContact N-O 2.95Å; R93-D111 IonicContact NE-OD1 3.29Å; R93-D111 IonicContact NE-OD2 2.99Å; R93-D111 PolarHBondContact NE-OD2 2.76Å; R93-D111 IonicContact NH2-OD2 3.91Å; R93-D111 PolarHBondContact NH2-OD2 3.04Å; D111-T113 VanDerWaalsContact OD1-CB 3.26Å; D111-T113 WeakPolarHBondContact OD1-CB 3.37Å; D111-T113 PolarHBondContact OD1-N 2.94Å; D111-T113 PolarHBondContact OD1-OG1 3.49Å; D111-N131 PolarHBondContact OD1-ND2 2.67Å
112	L	98.9	Very high	98.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.14	C	C	.	.			trans	-93.6	14.3	179.6	-73.2	156.2	0	0	0	112.5	L92 F97 F107 G114 A115 F127 N131 V132 V135	L92-L112 HydrophobicContact CB-CD2 3.72Å; L92-L112 HydrophobicContact CB-CG 4.33Å; L92-L112 HydrophobicContact CD1-CD2 3.67Å; L92-L112 HydrophobicContact CD1-CG 4.39Å; L92-L112 HydrophobicContact CG-CD2 4.36Å; F97-L112 HydrophobicContact CE2-CD2 4.21Å; F107-L112 HydrophobicContact CB-CD1 4.03Å; F107-L112 HydrophobicContact CD1-CD1 4.15Å; F107-L112 HydrophobicContact CD1-CD2 4.08Å; F107-L112 HydrophobicContact CD1-CG 4.49Å; F107-L112 HydrophobicContact CE1-CD2 4.19Å; F107-L112 HydrophobicContact CG-CD1 4.07Å; L112-G114 PolarHBondContact O-N 3.17Å; L112-A115 HydrophobicContact CB-CB 4.32Å; L112-A115 HydrophobicContact CD2-CB 4.11Å; L112-A115 WeakPolarHBondContact O-CB 3.27Å; L112-A115 PolarHBondContact O-N 3.28Å; L112-F127 HydrophobicContact CD1-CD1 3.74Å; L112-F127 HydrophobicContact CD1-CE1 3.59Å; L112-N131 WeakPolarHBondContact CA-O 3.38Å; L112-N131 WeakPolarHBondContact CB-O 3.28Å; L112-N131 PolarHBondContact N-O 2.86Å; L112-V132 HydrophobicContact CD1-CG2 4.37Å; L112-V135 HydrophobicContact CB-CG2 4.01Å; L112-V135 WeakPolarHBondContact O-CG2 3.32Å
113	T	98.8	Very high	98.5	Very high	34 Å²	34	28.6 Å²	28.6	21%	0.209	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	115.9	-169.3	-59.6	0	0	0	0	112.6	R93 Q94 D111 A115 N131 S133	R93-T113 VanDerWaalsContact CA-O 3.31Å; R93-T113 WeakPolarHBondContact CA-O 3.38Å; Q94-T113 PolarHBondContact N-O 2.94Å; Q94-T113 VanDerWaalsContact N-O 3.13Å; D111-T113 VanDerWaalsContact OD1-CB 3.26Å; D111-T113 WeakPolarHBondContact OD1-CB 3.37Å; D111-T113 PolarHBondContact OD1-N 2.94Å; D111-T113 PolarHBondContact OD1-OG1 3.49Å; T113-A115 VanDerWaalsContact C-N 3.31Å; T113-A115 PolarHBondContact O-N 3.15Å; T113-N131 PolarHBondContact OG1-ND2 3.09Å; T113-S133 WeakPolarHBondContact CA-O 3.45Å
114	G	98.8	Very high	98.6	Very high	15 Å²	15	27.2 Å²	27.2	16%	0.155	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	13.9	179.6	0	0	0	0	0	116.2	Q94 L112 S133 K134	Q94-G114 PolarHBondContact NE2-O 2.9Å; L112-G114 PolarHBondContact O-N 3.17Å; G114-S133 PolarHBondContact N-O 3.03Å; G114-S133 VanDerWaalsContact N-O 3.08Å; G114-K134 WeakPolarHBondContact CA-O 3.15Å
115	A	98.9	Very high	98.6	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.008	14%	0.144	C	C	.	.			trans	-63.5	152.6	171.2	0	0	0	0	0	111.7	A95 L112 T113 V135 N136	A95-A115 CarbonylContact O-C 3.52Å; A95-A115 VanDerWaalsContact O-CA 3.24Å; A95-A115 WeakPolarHBondContact O-CA 3.18Å; A95-A115 WeakPolarHBondContact O-CB 3.34Å; L112-A115 HydrophobicContact CB-CB 4.32Å; L112-A115 HydrophobicContact CD2-CB 4.11Å; L112-A115 WeakPolarHBondContact O-CB 3.27Å; L112-A115 PolarHBondContact O-N 3.28Å; T113-A115 VanDerWaalsContact C-N 3.31Å; T113-A115 PolarHBondContact O-N 3.15Å; A115-V135 HydrophobicContact CB-CG2 4.48Å; A115-V135 WeakPolarHBondContact O-CA 3.36Å; A115-V135 WeakPolarHBondContact O-CG1 3.26Å; A115-N136 PolarHBondContact O-N 2.96Å
116	D	98.9	Very high	98.7	Very high	43 Å²	43	27.1 Å²	27.1	23%	0.23	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-99.9	110.4	172.3	-171.4	3.8	0	0	0	110.1	A95 F97 K98 S118 N136	A95-D116 PolarHBondContact O-N 2.7Å; F97-D116 CarbonylContact C-O 3.24Å; F97-D116 VanDerWaalsContact CA-O 3.25Å; F97-D116 WeakPolarHBondContact CA-O 3.4Å; F97-D116 WeakPolarHBondContact CB-O 3.18Å; F97-D116 PolarHBondContact N-O 3.31Å; K98-D116 PolarHBondContact N-O 3.19Å; D116-S118 VanDerWaalsContact OD1-CB 3.26Å; D116-S118 WeakPolarHBondContact OD1-CB 3.28Å; D116-S118 PolarHBondContact OD1-N 2.93Å; D116-S118 PolarHBondContact OD1-OG 2.98Å; D116-S118 PolarHBondContact OD2-OG 2.83Å; D116-N136 PolarHBondContact OD1-ND2 2.78Å
117	L	98.9	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.			trans	-113.2	20	175.3	-81.3	164.6	0	0	0	111	F97 L102 A120 L122 F127 V135 N136 L137 A140	F97-L117 HydrophobicContact CB-CD2 3.38Å; F97-L117 HydrophobicContact CB-CG 4.11Å; F97-L117 HydrophobicContact CD2-CD2 4.06Å; F97-L117 HydrophobicContact CD2-CG 4.41Å; F97-L117 HydrophobicContact CG-CD2 3.87Å; L102-L117 HydrophobicContact CD1-CD2 3.59Å; L117-A120 HydrophobicContact CD2-CB 4.15Å; L117-A120 WeakPolarHBondContact O-CB 3.26Å; L117-A120 PolarHBondContact O-N 2.61Å; L117-L122 HydrophobicContact CB-CD1 4.36Å; L117-L122 HydrophobicContact CD1-CD1 4.27Å; L117-L122 HydrophobicContact CD2-CD1 4.18Å; L117-L122 HydrophobicContact CD2-CD2 4.1Å; L117-L122 HydrophobicContact CD2-CG 4.46Å; L117-F127 HydrophobicContact CD1-CE1 4.27Å; L117-F127 HydrophobicContact CD1-CZ 4.31Å; L117-V135 HydrophobicContact CB-CG1 4.16Å; L117-V135 HydrophobicContact CD1-CG1 3.81Å; L117-V135 HydrophobicContact CG-CG1 4.32Å; L117-N136 CarbonylContact C-O 3.53Å; L117-N136 VanDerWaalsContact CA-O 3.26Å; L117-N136 WeakPolarHBondContact CA-O 3.37Å; L117-N136 WeakPolarHBondContact CB-O 3.25Å; L117-N136 PolarHBondContact N-O 2.97Å; L117-L137 HydrophobicContact CB-CD2 3.82Å; L117-L137 HydrophobicContact CD1-CD2 4.09Å; L117-A140 WeakPolarHBondContact O-CB 3.25Å
118	S	98.9	Very high	98.7	Very high	6 Å²	6	27 Å²	27	4%	0.042	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	140.4	179.7	52.6	0	0	0	0	112.3	K98 G99 D116 A120 N136 T138	K98-S118 CarbonylContact C-O 3.2Å; K98-S118 VanDerWaalsContact CA-O 3.28Å; K98-S118 WeakPolarHBondContact CA-O 3.34Å; G99-S118 PolarHBondContact N-O 3.25Å; D116-S118 VanDerWaalsContact OD1-CB 3.26Å; D116-S118 WeakPolarHBondContact OD1-CB 3.28Å; D116-S118 PolarHBondContact OD1-N 2.93Å; D116-S118 PolarHBondContact OD1-OG 2.98Å; D116-S118 PolarHBondContact OD2-OG 2.83Å; S118-A120 PolarHBondContact O-N 2.85Å; S118-N136 WeakPolarHBondContact CB-ND2 3.43Å; S118-N136 PolarHBondContact N-O 2.96Å; S118-N136 VanDerWaalsContact N-O 3.15Å; S118-T138 CarbonylContact C-O 3.56Å; S118-T138 WeakPolarHBondContact CA-O 3.18Å; S118-T138 WeakPolarHBondContact CB-O 3.47Å
119	D	98.9	Very high	98.7	Very high	71 Å²	71	26.4 Å²	26.4	38%	0.38	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	13.6	-178.5	-47.9	-56.9	0	0	0	114.6	T138 N139	D119-T138 PolarHBondContact N-O 3.48Å; D119-N139 WeakPolarHBondContact OD1-CB 3.43Å; D119-N139 PolarHBondContact OD1-ND2 3.14Å; D119-N139 VanDerWaalsContact OD1-ND2 3.16Å
120	A	98.9	Very high	98.8	Very high	2 Å²	2	22.5 Å²	22.5	2%	0.017	13%	0.129	C	C	.	.			trans	-77.5	143.2	-178.4	0	0	0	0	0	112.4	A100 L102 L117 S118 L122 A140 N141	A100-A120 WeakPolarHBondContact O-CA 3.2Å; L102-A120 HydrophobicContact CD1-CB 4.42Å; L117-A120 HydrophobicContact CD2-CB 4.15Å; L117-A120 WeakPolarHBondContact O-CB 3.26Å; L117-A120 PolarHBondContact O-N 2.61Å; S118-A120 PolarHBondContact O-N 2.85Å; A120-L122 HydrophobicContact CB-CD1 4.48Å; A120-L122 HydrophobicContact CB-CG 4.17Å; A120-L122 PolarHBondContact O-N 3.4Å; A120-A140 WeakPolarHBondContact O-CA 3.22Å; A120-N141 PolarHBondContact O-N 3.46Å
121	D	98.8	Very high	98.8	Very high	37 Å²	37	24.8 Å²	24.8	20%	0.198	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-87	97.6	169.2	180	2.4	0	0	0	108.9	A100 L102 L103 R123	A100-D121 PolarHBondContact O-N 3.3Å; L102-D121 CarbonylContact C-O 3.45Å; L102-D121 WeakPolarHBondContact CA-O 3.38Å; L102-D121 WeakPolarHBondContact CB-O 3.17Å; L102-D121 PolarHBondContact N-O 2.99Å; L103-D121 PolarHBondContact N-O 2.89Å; D121-R123 VanDerWaalsContact OD1-CG 3.28Å; D121-R123 WeakPolarHBondContact OD1-CG 3.34Å; D121-R123 IonicContact OD1-CZ 3.92Å; D121-R123 PolarHBondContact OD1-N 2.92Å; D121-R123 IonicContact OD1-NE 2.7Å; D121-R123 PolarHBondContact OD1-NE 3.08Å; D121-R123 IonicContact OD1-NH2 3.15Å; D121-R123 IonicContact OD2-CZ 3.43Å; D121-R123 IonicContact OD2-NE 3.89Å; D121-R123 PolarHBondContact OD2-NE 3.13Å; D121-R123 IonicContact OD2-NH2 2.73Å; D121-R123 PolarHBondContact OD2-NH2 3.49Å
122	L	98.9	Very high	98.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.134	C	C	.	.			trans	-105.7	16.7	-175.9	-75.9	169.2	0	0	0	112.8	L102 F107 L117 A120 G124 A125 F127 L137 A140 N141 L142	L102-L122 HydrophobicContact CB-CD2 3.72Å; L102-L122 HydrophobicContact CD1-CD2 3.73Å; L102-L122 HydrophobicContact CG-CD2 4.37Å; F107-L122 HydrophobicContact CE2-CD2 3.9Å; L117-L122 HydrophobicContact CB-CD1 4.36Å; L117-L122 HydrophobicContact CD1-CD1 4.27Å; L117-L122 HydrophobicContact CD2-CD1 4.18Å; L117-L122 HydrophobicContact CD2-CD2 4.1Å; L117-L122 HydrophobicContact CD2-CG 4.46Å; A120-L122 HydrophobicContact CB-CD1 4.48Å; A120-L122 HydrophobicContact CB-CG 4.17Å; A120-L122 PolarHBondContact O-N 3.4Å; L122-G124 PolarHBondContact O-N 2.76Å; L122-A125 HydrophobicContact CB-CB 4.3Å; L122-A125 HydrophobicContact CD2-CB 4.02Å; L122-A125 WeakPolarHBondContact O-CB 3.24Å; L122-A125 PolarHBondContact O-N 2.8Å; L122-F127 HydrophobicContact CD1-CE2 4.21Å; L122-F127 HydrophobicContact CD1-CZ 3.84Å; L122-F127 HydrophobicContact CD2-CE2 4.12Å; L122-F127 HydrophobicContact CD2-CZ 3.65Å; L122-F127 HydrophobicContact CG-CZ 4.3Å; L122-L137 HydrophobicContact CD1-CD2 3.96Å; L122-A140 HydrophobicContact CD1-CB 4.14Å; L122-N141 CarbonylContact C-O 3.5Å; L122-N141 VanDerWaalsContact C-O 3.24Å; L122-N141 VanDerWaalsContact CA-O 3.23Å; L122-N141 WeakPolarHBondContact CA-O 3.14Å; L122-N141 VanDerWaalsContact CB-O 3.27Å; L122-N141 WeakPolarHBondContact CB-O 3.45Å; L122-N141 PolarHBondContact N-O 2.95Å; L122-L142 HydrophobicContact CB-CG 4.23Å; L122-L142 HydrophobicContact CD1-CD2 4.28Å; L122-L142 HydrophobicContact CD1-CG 4.07Å
123	R	98.8	Very high	98.8	Very high	93 Å²	93	24.4 Å²	24.4	35%	0.351	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	132.1	-176	-64.9	-179.2	-72.9	170	-1.2	111.3	L103 G104 D121 A125 N141 E143	L103-R123 CarbonylContact C-O 3.51Å; L103-R123 WeakPolarHBondContact CA-O 3.21Å; L103-R123 HydrophobicContact CD1-CB 3.65Å; L103-R123 WeakPolarHBondContact CD1-O 3.36Å; G104-R123 PolarHBondContact N-O 3.25Å; D121-R123 VanDerWaalsContact OD1-CG 3.28Å; D121-R123 WeakPolarHBondContact OD1-CG 3.34Å; D121-R123 IonicContact OD1-CZ 3.92Å; D121-R123 PolarHBondContact OD1-N 2.92Å; D121-R123 IonicContact OD1-NE 2.7Å; D121-R123 PolarHBondContact OD1-NE 3.08Å; D121-R123 IonicContact OD1-NH2 3.15Å; D121-R123 IonicContact OD2-CZ 3.43Å; D121-R123 IonicContact OD2-NE 3.89Å; D121-R123 PolarHBondContact OD2-NE 3.13Å; D121-R123 IonicContact OD2-NH2 2.73Å; D121-R123 PolarHBondContact OD2-NH2 3.49Å; R123-A125 PolarHBondContact O-N 3.5Å; R123-A125 VanDerWaalsContact O-N 3.08Å; R123-N141 HydrophobicContact CG-CB 4.47Å; R123-N141 PolarHBondContact N-O 2.96Å; R123-E143 CarbonylContact C-O 3.52Å; R123-E143 WeakPolarHBondContact CA-O 3.16Å; R123-E143 HydrophobicContact CG-CB 3.93Å
124	G	98.6	Very high	98.8	Very high	40 Å²	40	29.9 Å²	29.9	41%	0.412	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	12.8	-176.5	0	0	0	0	0	115.6	L122 E143	L122-G124 PolarHBondContact O-N 2.76Å; G124-E143 PolarHBondContact N-O 2.98Å
125	A	98.7	Very high	98.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.			trans	-67.1	147.4	176.5	0	0	0	0	0	111.1	A105 L122 R123 F127 A145 L146	A105-A125 CarbonylContact O-C 3.5Å; A105-A125 WeakPolarHBondContact O-CA 3.36Å; A105-A125 WeakPolarHBondContact O-CB 3.43Å; L122-A125 HydrophobicContact CB-CB 4.3Å; L122-A125 HydrophobicContact CD2-CB 4.02Å; L122-A125 WeakPolarHBondContact O-CB 3.24Å; L122-A125 PolarHBondContact O-N 2.8Å; R123-A125 PolarHBondContact O-N 3.5Å; R123-A125 VanDerWaalsContact O-N 3.08Å; A125-F127 HydrophobicContact CB-CD2 4.44Å; A125-F127 HydrophobicContact CB-CE2 3.92Å; A125-F127 HydrophobicContact CB-CZ 4.48Å; A125-A145 CarbonylContact O-C 3.1Å; A125-A145 WeakPolarHBondContact O-CA 3.35Å; A125-A145 VanDerWaalsContact O-CB 3.31Å; A125-A145 WeakPolarHBondContact O-CB 3.45Å; A125-L146 PolarHBondContact O-N 3.04Å
126	D	98.6	Very high	98.8	Very high	30 Å²	30	31.3 Å²	31.3	16%	0.16	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-103.4	105.7	-179.2	177.1	20.6	0	0	0	111.1	A105 F107 F108 S128	A105-D126 PolarHBondContact O-N 2.86Å; F107-D126 CarbonylContact C-O 3.59Å; F107-D126 VanDerWaalsContact C-O 3.3Å; F107-D126 VanDerWaalsContact CA-O 3.31Å; F107-D126 WeakPolarHBondContact CA-O 3.46Å; F107-D126 PolarHBondContact N-O 3.24Å; F108-D126 PolarHBondContact N-O 2.84Å; D126-S128 WeakPolarHBondContact OD1-CB 3.31Å; D126-S128 PolarHBondContact OD1-N 2.89Å; D126-S128 PolarHBondContact OD1-OG 2.85Å
127	F	98.8	Very high	98.8	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	16%	0.155	C	C	.	.			trans	-101.3	16.8	173.4	-65.3	-79.6	0	0	0	112.8	F107 L112 L117 L122 A125 L129 A130 V132 L142 A145 L146 T151	F107-F127 HydrophobicContact CB-CD1 3.91Å; F107-F127 HydrophobicContact CB-CE1 4.19Å; F107-F127 AromaticContact CD2-CD1 3.93Å; F107-F127 HydrophobicContact CD2-CD1 3.93Å; F107-F127 AromaticContact CD2-CE1 3.45Å; F107-F127 HydrophobicContact CD2-CE1 3.45Å; F107-F127 VanDerWaalsContact CD2-CE1 3.45Å; F107-F127 AromaticContact CD2-CZ 3.82Å; F107-F127 HydrophobicContact CD2-CZ 3.82Å; F107-F127 AromaticContact CE2-CE1 4Å; F107-F127 HydrophobicContact CE2-CE1 4Å; F107-F127 HydrophobicContact CE2-CZ 4.05Å; F107-F127 HydrophobicContact CG-CD1 4.2Å; F107-F127 AromaticContact CG-CE1 3.96Å; F107-F127 HydrophobicContact CG-CE1 3.96Å; L112-F127 HydrophobicContact CD1-CD1 3.74Å; L112-F127 HydrophobicContact CD1-CE1 3.59Å; L117-F127 HydrophobicContact CD1-CE1 4.27Å; L117-F127 HydrophobicContact CD1-CZ 4.31Å; L122-F127 HydrophobicContact CD1-CE2 4.21Å; L122-F127 HydrophobicContact CD1-CZ 3.84Å; L122-F127 HydrophobicContact CD2-CE2 4.12Å; L122-F127 HydrophobicContact CD2-CZ 3.65Å; L122-F127 HydrophobicContact CG-CZ 4.3Å; A125-F127 HydrophobicContact CB-CD2 4.44Å; A125-F127 HydrophobicContact CB-CE2 3.92Å; A125-F127 HydrophobicContact CB-CZ 4.48Å; F127-L129 PolarHBondContact O-N 3.22Å; F127-A130 HydrophobicContact CB-CB 4.14Å; F127-A130 HydrophobicContact CD1-CB 4.35Å; F127-A130 WeakPolarHBondContact O-CB 3.28Å; F127-A130 PolarHBondContact O-N 3.39Å; F127-V132 HydrophobicContact CB-CG2 4.31Å; F127-V132 HydrophobicContact CD1-CG2 3.87Å; F127-V132 HydrophobicContact CG-CG2 4.35Å; F127-L142 HydrophobicContact CE2-CD2 4.03Å; F127-A145 HydrophobicContact CD2-CB 4.4Å; F127-L146 CarbonylContact C-O 3.24Å; F127-L146 WeakPolarHBondContact CA-O 3.21Å; F127-L146 WeakPolarHBondContact CB-O 3.28Å; F127-L146 PolarHBondContact N-O 3.19Å; F127-T151 HydrophobicContact CB-CG2 4.32Å; F127-T151 WeakPolarHBondContact O-CG2 3.25Å; F127-T151 PolarHBondContact O-OG1 3.28Å
128	S	98.5	Very high	98.8	Very high	10 Å²	10	30.6 Å²	30.6	7%	0.07	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	130	-178.8	-55.3	0	0	0	0	110.7	F108 D109 D126 A130 L146 T148	F108-S128 WeakPolarHBondContact CA-O 3.18Å; D109-S128 PolarHBondContact N-O 2.93Å; D126-S128 WeakPolarHBondContact OD1-CB 3.31Å; D126-S128 PolarHBondContact OD1-N 2.89Å; D126-S128 PolarHBondContact OD1-OG 2.85Å; S128-A130 PolarHBondContact O-N 3.29Å; S128-A130 VanDerWaalsContact O-N 3.12Å; S128-L146 PolarHBondContact N-O 3.08Å; S128-T148 WeakPolarHBondContact CB-OG1 3.09Å; S128-T148 PolarHBondContact OG-OG1 3.15Å
129	L	98.3	Very high	98.8	Very high	59 Å²	59	31.4 Å²	31.4	31%	0.309	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	0	-172.4	-48.1	177.5	0	0	0	116.3	F108 D109 F127 T148 N150 T151	F108-L129 HydrophobicContact CE1-CD1 4.27Å; F108-L129 HydrophobicContact CE2-CD1 3.96Å; F108-L129 HydrophobicContact CE2-CG 4.34Å; F108-L129 HydrophobicContact CZ-CD1 3.61Å; F108-L129 HydrophobicContact CZ-CG 4.45Å; D109-L129 HydrophobicContact CB-CB 4.14Å; F127-L129 PolarHBondContact O-N 3.22Å; L129-T148 PolarHBondContact N-O 3.09Å; L129-T148 VanDerWaalsContact N-O 3.09Å; L129-N150 VanDerWaalsContact CA-OD1 3.27Å; L129-N150 WeakPolarHBondContact CA-OD1 3.21Å; L129-N150 WeakPolarHBondContact CD2-OD1 3.11Å; L129-T151 PolarHBondContact N-OG1 2.83Å
130	A	98.7	Very high	98.8	Very high	1 Å²	1	28 Å²	28	1%	0.008	15%	0.149	C	C	.	.			trans	-69.8	143.3	-177.6	0	0	0	0	0	112.1	F107 A110 F127 S128 V132 T151	F107-A130 WeakPolarHBondContact O-CB 3.27Å; A110-A130 WeakPolarHBondContact O-CA 3.23Å; F127-A130 HydrophobicContact CB-CB 4.14Å; F127-A130 HydrophobicContact CD1-CB 4.35Å; F127-A130 WeakPolarHBondContact O-CB 3.28Å; F127-A130 PolarHBondContact O-N 3.39Å; S128-A130 PolarHBondContact O-N 3.29Å; S128-A130 VanDerWaalsContact O-N 3.12Å; A130-V132 HydrophobicContact CB-CG2 3.93Å; A130-V132 PolarHBondContact O-N 3.39Å; A130-T151 WeakPolarHBondContact O-CA 3.04Å
131	N	98.7	Very high	98.8	Very high	49 Å²	49	28.5 Å²	28.5	26%	0.262	15%	0.151	S	C	.	.	B	Isolated β-bridge	trans	-86.3	97.4	166.7	-179.6	7.7	0	0	0	109.5	A110 D111 L112 T113 S133	A110-N131 PolarHBondContact O-N 2.96Å; D111-N131 PolarHBondContact OD1-ND2 2.67Å; L112-N131 WeakPolarHBondContact CA-O 3.38Å; L112-N131 WeakPolarHBondContact CB-O 3.28Å; L112-N131 PolarHBondContact N-O 2.86Å; T113-N131 PolarHBondContact OG1-ND2 3.09Å; N131-S133 VanDerWaalsContact C-N 3.32Å; N131-S133 WeakPolarHBondContact OD1-CB 3.48Å; N131-S133 PolarHBondContact OD1-N 3.24Å; N131-S133 VanDerWaalsContact OD1-N 3.14Å; N131-S133 PolarHBondContact OD1-OG 3.01Å
132	V	98.8	Very high	98.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.			trans	-99.4	33.1	179.6	-158.7	0	0	0	0	110.2	L112 F127 A130 V135 L137 T151 T152 F153 S156	L112-V132 HydrophobicContact CD1-CG2 4.37Å; F127-V132 HydrophobicContact CB-CG2 4.31Å; F127-V132 HydrophobicContact CD1-CG2 3.87Å; F127-V132 HydrophobicContact CG-CG2 4.35Å; A130-V132 HydrophobicContact CB-CG2 3.93Å; A130-V132 PolarHBondContact O-N 3.39Å; V132-V135 HydrophobicContact CB-CG2 4.39Å; V132-V135 HydrophobicContact CG1-CB 3.9Å; V132-V135 HydrophobicContact CG1-CG1 4.14Å; V132-V135 HydrophobicContact CG1-CG2 3.7Å; V132-L137 HydrophobicContact CG1-CD1 4.38Å; V132-T151 HydrophobicContact CG2-CG2 3.93Å; V132-T152 CarbonylContact C-O 3.3Å; V132-T152 VanDerWaalsContact CA-O 3.25Å; V132-T152 WeakPolarHBondContact CA-O 3.26Å; V132-T152 WeakPolarHBondContact CB-O 3.49Å; V132-T152 PolarHBondContact N-O 2.87Å; V132-F153 HydrophobicContact CB-CD1 3.94Å; V132-F153 HydrophobicContact CB-CE1 4.04Å; V132-F153 HydrophobicContact CG1-CD1 3.86Å; V132-F153 HydrophobicContact CG1-CE1 3.87Å; V132-F153 HydrophobicContact CG2-CE1 4.3Å; V132-S156 PolarHBondContact O-OG 3.01Å
133	S	98.7	Very high	98.8	Very high	20 Å²	20	30.8 Å²	30.8	14%	0.14	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	141.6	-179.4	-58.9	0	0	0	0	112.1	T113 G114 N131 V135 T152 K154	T113-S133 WeakPolarHBondContact CA-O 3.45Å; G114-S133 PolarHBondContact N-O 3.03Å; G114-S133 VanDerWaalsContact N-O 3.08Å; N131-S133 VanDerWaalsContact C-N 3.32Å; N131-S133 WeakPolarHBondContact OD1-CB 3.48Å; N131-S133 PolarHBondContact OD1-N 3.24Å; N131-S133 VanDerWaalsContact OD1-N 3.14Å; N131-S133 PolarHBondContact OD1-OG 3.01Å; S133-V135 PolarHBondContact O-N 2.68Å; S133-V135 VanDerWaalsContact O-N 3.09Å; S133-T152 PolarHBondContact N-O 3.29Å; S133-T152 WeakPolarHBondContact OG-CG2 3.26Å; S133-K154 CarbonylContact C-O 3.6Å; S133-K154 VanDerWaalsContact CA-O 3.25Å; S133-K154 WeakPolarHBondContact CA-O 3.21Å; S133-K154 WeakPolarHBondContact CB-O 3.38Å
134	K	98.8	Very high	98.8	Very high	150 Å²	150	27.9 Å²	27.9	65%	0.652	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	16.9	179.9	-54	-178.9	178.3	-179	0	114.7	G114 K154 G155 S156	G114-K134 WeakPolarHBondContact CA-O 3.15Å; K134-K154 PolarHBondContact N-O 2.65Å; K134-G155 WeakPolarHBondContact CA-O 3.41Å; K134-S156 PolarHBondContact N-OG 2.88Å; K134-S156 VanDerWaalsContact N-OG 3.09Å
135	V	98.9	Very high	98.8	Very high	1 Å²	1	26 Å²	26	1%	0.006	14%	0.14	C	C	.	.			trans	-74.1	141.7	179.1	173.9	0	0	0	0	109.1	L112 A115 L117 V132 S133 L137 S156 N157	L112-V135 HydrophobicContact CB-CG2 4.01Å; L112-V135 WeakPolarHBondContact O-CG2 3.32Å; A115-V135 HydrophobicContact CB-CG2 4.48Å; A115-V135 WeakPolarHBondContact O-CA 3.36Å; A115-V135 WeakPolarHBondContact O-CG1 3.26Å; L117-V135 HydrophobicContact CB-CG1 4.16Å; L117-V135 HydrophobicContact CD1-CG1 3.81Å; L117-V135 HydrophobicContact CG-CG1 4.32Å; V132-V135 HydrophobicContact CB-CG2 4.39Å; V132-V135 HydrophobicContact CG1-CB 3.9Å; V132-V135 HydrophobicContact CG1-CG1 4.14Å; V132-V135 HydrophobicContact CG1-CG2 3.7Å; S133-V135 PolarHBondContact O-N 2.68Å; S133-V135 VanDerWaalsContact O-N 3.09Å; V135-L137 HydrophobicContact CG1-CD2 4.06Å; V135-L137 HydrophobicContact CG1-CG 3.9Å; V135-S156 PolarHBondContact N-OG 3.32Å; V135-S156 CarbonylContact O-C 3.57Å; V135-S156 WeakPolarHBondContact O-CA 3.36Å; V135-S156 WeakPolarHBondContact O-CB 3.46Å; V135-N157 PolarHBondContact O-N 3.15Å
136	N	98.9	Very high	98.8	Very high	45 Å²	45	29.8 Å²	29.8	24%	0.241	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-85.5	108.5	168.2	-177.3	18.6	0	0	0	109.5	A115 D116 L117 S118 T138	A115-N136 PolarHBondContact O-N 2.96Å; D116-N136 PolarHBondContact OD1-ND2 2.78Å; L117-N136 CarbonylContact C-O 3.53Å; L117-N136 VanDerWaalsContact CA-O 3.26Å; L117-N136 WeakPolarHBondContact CA-O 3.37Å; L117-N136 WeakPolarHBondContact CB-O 3.25Å; L117-N136 PolarHBondContact N-O 2.97Å; S118-N136 WeakPolarHBondContact CB-ND2 3.43Å; S118-N136 PolarHBondContact N-O 2.96Å; S118-N136 VanDerWaalsContact N-O 3.15Å; N136-T138 VanDerWaalsContact OD1-CB 3.31Å; N136-T138 WeakPolarHBondContact OD1-CB 3.2Å; N136-T138 PolarHBondContact OD1-N 3.44Å; N136-T138 VanDerWaalsContact OD1-N 3.15Å; N136-T138 PolarHBondContact OD1-OG1 2.87Å
137	L	98.9	Very high	98.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.154	C	C	.	.			trans	-106.8	19.7	175.3	-68.5	166.5	0	0	0	111.6	L117 L122 V132 V135 N139 A140 L142 F153 N157 I158 A161 F163	L117-L137 HydrophobicContact CB-CD2 3.82Å; L117-L137 HydrophobicContact CD1-CD2 4.09Å; L122-L137 HydrophobicContact CD1-CD2 3.96Å; V132-L137 HydrophobicContact CG1-CD1 4.38Å; V135-L137 HydrophobicContact CG1-CD2 4.06Å; V135-L137 HydrophobicContact CG1-CG 3.9Å; L137-N139 PolarHBondContact O-N 3.37Å; L137-N139 VanDerWaalsContact O-N 3.15Å; L137-A140 HydrophobicContact CB-CB 4.2Å; L137-A140 HydrophobicContact CD2-CB 4.08Å; L137-A140 VanDerWaalsContact O-CB 3.28Å; L137-A140 WeakPolarHBondContact O-CB 3.25Å; L137-A140 PolarHBondContact O-N 2.57Å; L137-L142 HydrophobicContact CD2-CD1 4.47Å; L137-L142 HydrophobicContact CD2-CD2 4.35Å; L137-F153 HydrophobicContact CD1-CD1 3.94Å; L137-F153 HydrophobicContact CD1-CE1 4.07Å; L137-N157 CarbonylContact C-O 3.57Å; L137-N157 WeakPolarHBondContact CA-O 3.48Å; L137-N157 WeakPolarHBondContact CB-O 3.48Å; L137-N157 PolarHBondContact N-O 3.2Å; L137-I158 HydrophobicContact CB-CG2 4.39Å; L137-I158 HydrophobicContact CD1-CG2 4.13Å; L137-A161 HydrophobicContact CB-CB 4.34Å; L137-A161 WeakPolarHBondContact O-CB 3.44Å; L137-F163 HydrophobicContact CD1-CZ 4.39Å
138	T	98.9	Very high	98.6	Very high	28 Å²	28	31.4 Å²	31.4	17%	0.172	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	123.7	-178.3	-59	0	0	0	0	110.6	S118 D119 N136 A140 N157 Y159	S118-T138 CarbonylContact C-O 3.56Å; S118-T138 WeakPolarHBondContact CA-O 3.18Å; S118-T138 WeakPolarHBondContact CB-O 3.47Å; D119-T138 PolarHBondContact N-O 3.48Å; N136-T138 VanDerWaalsContact OD1-CB 3.31Å; N136-T138 WeakPolarHBondContact OD1-CB 3.2Å; N136-T138 PolarHBondContact OD1-N 3.44Å; N136-T138 VanDerWaalsContact OD1-N 3.15Å; N136-T138 PolarHBondContact OD1-OG1 2.87Å; T138-A140 PolarHBondContact O-N 2.69Å; T138-N157 PolarHBondContact OG1-ND2 2.92Å; T138-Y159 CarbonylContact C-O 3.53Å; T138-Y159 VanDerWaalsContact CA-O 3.24Å; T138-Y159 WeakPolarHBondContact CA-O 3.26Å; T138-Y159 HydrophobicContact CG2-CD1 4.31Å
139	N	98.9	Very high	98.5	Very high	23 Å²	23	32.9 Å²	32.9	12%	0.123	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	10.7	-176.1	-53.8	-37.3	0	0	0	116.4	D119 L137 Y159 G160 N184	D119-N139 WeakPolarHBondContact OD1-CB 3.43Å; D119-N139 PolarHBondContact OD1-ND2 3.14Å; D119-N139 VanDerWaalsContact OD1-ND2 3.16Å; L137-N139 PolarHBondContact O-N 3.37Å; L137-N139 VanDerWaalsContact O-N 3.15Å; N139-Y159 PolarHBondContact N-O 3.02Å; N139-G160 WeakPolarHBondContact CA-O 3.29Å; N139-N184 PolarHBondContact O-ND2 2.99Å
140	A	98.9	Very high	98.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.202	C	C	.	.			trans	-65.7	139	177.1	0	0	0	0	0	110.1	L117 A120 L122 L137 T138 L142 A161 D162 N184	L117-A140 WeakPolarHBondContact O-CB 3.25Å; A120-A140 WeakPolarHBondContact O-CA 3.22Å; L122-A140 HydrophobicContact CD1-CB 4.14Å; L137-A140 HydrophobicContact CB-CB 4.2Å; L137-A140 HydrophobicContact CD2-CB 4.08Å; L137-A140 VanDerWaalsContact O-CB 3.28Å; L137-A140 WeakPolarHBondContact O-CB 3.25Å; L137-A140 PolarHBondContact O-N 2.57Å; T138-A140 PolarHBondContact O-N 2.69Å; A140-L142 HydrophobicContact CB-CD1 4.01Å; A140-A161 WeakPolarHBondContact O-CA 3.04Å; A140-D162 PolarHBondContact O-N 3.25Å; A140-N184 PolarHBondContact O-ND2 3.18Å
141	N	98.9	Very high	98.3	Very high	12 Å²	12	35.2 Å²	35.2	6%	0.064	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-98.7	105.3	174.8	-178	-8.1	0	0	0	109.5	A120 L122 R123 E143 T187	A120-N141 PolarHBondContact O-N 3.46Å; L122-N141 CarbonylContact C-O 3.5Å; L122-N141 VanDerWaalsContact C-O 3.24Å; L122-N141 VanDerWaalsContact CA-O 3.23Å; L122-N141 WeakPolarHBondContact CA-O 3.14Å; L122-N141 VanDerWaalsContact CB-O 3.27Å; L122-N141 WeakPolarHBondContact CB-O 3.45Å; L122-N141 PolarHBondContact N-O 2.95Å; R123-N141 HydrophobicContact CG-CB 4.47Å; R123-N141 PolarHBondContact N-O 2.96Å; N141-E143 VanDerWaalsContact OD1-CB 3.26Å; N141-E143 WeakPolarHBondContact OD1-CB 3.16Å; N141-E143 PolarHBondContact OD1-N 3.09Å; N141-T187 VanDerWaalsContact ND2-CG2 3.26Å; N141-T187 WeakPolarHBondContact ND2-CG2 3.43Å
142	L	98.9	Very high	98.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.199	C	C	.	.			trans	-100.3	19.5	179.4	-57.3	94.8	0	0	0	112.7	L122 F127 L137 A140 G144 A145 A161 D162 F163 V166	L122-L142 HydrophobicContact CB-CG 4.23Å; L122-L142 HydrophobicContact CD1-CD2 4.28Å; L122-L142 HydrophobicContact CD1-CG 4.07Å; F127-L142 HydrophobicContact CE2-CD2 4.03Å; L137-L142 HydrophobicContact CD2-CD1 4.47Å; L137-L142 HydrophobicContact CD2-CD2 4.35Å; A140-L142 HydrophobicContact CB-CD1 4.01Å; L142-G144 PolarHBondContact O-N 2.99Å; L142-G144 VanDerWaalsContact O-N 3.15Å; L142-A145 HydrophobicContact CB-CB 4Å; L142-A145 WeakPolarHBondContact O-CB 3.33Å; L142-A145 PolarHBondContact O-N 2.64Å; L142-A161 HydrophobicContact CD1-CB 4.18Å; L142-D162 CarbonylContact C-O 3.54Å; L142-D162 WeakPolarHBondContact CA-O 3.39Å; L142-D162 VanDerWaalsContact CB-O 3.29Å; L142-D162 WeakPolarHBondContact CB-O 3.35Å; L142-D162 PolarHBondContact N-O 3.05Å; L142-F163 HydrophobicContact CD1-CE1 4.36Å; L142-F163 HydrophobicContact CD1-CZ 4.33Å; L142-F163 HydrophobicContact CD2-CE1 4.13Å; L142-V166 HydrophobicContact CB-CG2 4.11Å; L142-V166 WeakPolarHBondContact O-CG2 3.47Å
143	E	98.8	Very high	98.2	Very high	83 Å²	83	34.7 Å²	34.7	39%	0.388	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	122.8	-176.4	-174.9	-165.5	150	0	0	112	R123 G124 N141 A145 T164	R123-E143 CarbonylContact C-O 3.52Å; R123-E143 WeakPolarHBondContact CA-O 3.16Å; R123-E143 HydrophobicContact CG-CB 3.93Å; G124-E143 PolarHBondContact N-O 2.98Å; N141-E143 VanDerWaalsContact OD1-CB 3.26Å; N141-E143 WeakPolarHBondContact OD1-CB 3.16Å; N141-E143 PolarHBondContact OD1-N 3.09Å; E143-A145 PolarHBondContact O-N 2.92Å; E143-T164 CarbonylContact C-O 3.53Å; E143-T164 VanDerWaalsContact CA-O 3.25Å; E143-T164 WeakPolarHBondContact CA-O 3.44Å; E143-T164 HydrophobicContact CG-CG2 4.29Å
144	G	98.7	Very high	98.2	Very high	32 Å²	32	40.7 Å²	40.7	33%	0.33	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	11.4	-178.8	0	0	0	0	0	115.6	L142 T164	L142-G144 PolarHBondContact O-N 2.99Å; L142-G144 VanDerWaalsContact O-N 3.15Å; G144-T164 PolarHBondContact N-O 3.37Å
145	A	98.8	Very high	98.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	22%	0.215	C	C	.	.			trans	-64.7	149.8	173.8	0	0	0	0	0	111.3	A125 F127 L142 E143 V166 P167	A125-A145 CarbonylContact O-C 3.1Å; A125-A145 WeakPolarHBondContact O-CA 3.35Å; A125-A145 VanDerWaalsContact O-CB 3.31Å; A125-A145 WeakPolarHBondContact O-CB 3.45Å; F127-A145 HydrophobicContact CD2-CB 4.4Å; L142-A145 HydrophobicContact CB-CB 4Å; L142-A145 WeakPolarHBondContact O-CB 3.33Å; L142-A145 PolarHBondContact O-N 2.64Å; E143-A145 PolarHBondContact O-N 2.92Å; A145-V166 HydrophobicContact CB-CG2 4.18Å; A145-P167 WeakPolarHBondContact O-CD 3.45Å
146	L	98.6	Very high	98.2	Very high	80 Å²	80	36 Å²	36	42%	0.419	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-98.2	126.1	178	-58.8	178.5	0	0	0	110.2	A125 F127 S128 P167	A125-L146 PolarHBondContact O-N 3.04Å; F127-L146 CarbonylContact C-O 3.24Å; F127-L146 WeakPolarHBondContact CA-O 3.21Å; F127-L146 WeakPolarHBondContact CB-O 3.28Å; F127-L146 PolarHBondContact N-O 3.19Å; S128-L146 PolarHBondContact N-O 3.08Å; L146-P167 HydrophobicContact CD2-CG 4.21Å
147	A	98.1	Very high	98.2	Very high	3 Å²	3	37.7 Å²	37.7	3%	0.025	23%	0.225	C	C	.	.			trans	-131.6	58.6	178.2	0	0	0	0	0	111.3	T151 F153 V166 L168	A147-T151 HydrophobicContact CB-CG2 4.15Å; A147-F153 HydrophobicContact CB-CE2 3.93Å; A147-F153 HydrophobicContact CB-CZ 3.86Å; A147-V166 HydrophobicContact CB-CG1 4.08Å; A147-L168 HydrophobicContact CB-CD2 3.98Å
148	T	95.5	Very high	98.2	Very high	61 Å²	61	37.8 Å²	37.8	37%	0.374	23%	0.226	S	C	.	.			trans	-99.2	172.3	-171.6	73.6	0	0	0	0	113.7	S128 L129 T151	S128-T148 WeakPolarHBondContact CB-OG1 3.09Å; S128-T148 PolarHBondContact OG-OG1 3.15Å; L129-T148 PolarHBondContact N-O 3.09Å; L129-T148 VanDerWaalsContact N-O 3.09Å; T148-T151 PolarHBondContact O-OG1 2.91Å
149	G	95.9	Very high	98.2	Very high	42 Å²	42	42.2 Å²	42.2	43%	0.433	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	-132.8	179.4	0	0	0	0	0	111.8	R169	G149-R169 WeakPolarHBondContact O-CD 3.38Å; G149-R169 VanDerWaalsContact O-CZ 3.25Å; G149-R169 PolarHBondContact O-NH1 2.96Å
150	N	95.4	Very high	98.2	Very high	109 Å²	109	41.1 Å²	41.1	58%	0.583	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	18.4	179.3	67.4	-16.4	0	0	0	113.9	L129 T152	L129-N150 VanDerWaalsContact CA-OD1 3.27Å; L129-N150 WeakPolarHBondContact CA-OD1 3.21Å; L129-N150 WeakPolarHBondContact CD2-OD1 3.11Å; N150-T152 PolarHBondContact O-N 2.85Å
151	T	98.3	Very high	98.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.234	C	C	.	.			trans	-51.3	133.8	175.7	-54.8	0	0	0	0	110.9	F127 L129 A130 V132 A147 T148 F153 R169	F127-T151 HydrophobicContact CB-CG2 4.32Å; F127-T151 WeakPolarHBondContact O-CG2 3.25Å; F127-T151 PolarHBondContact O-OG1 3.28Å; L129-T151 PolarHBondContact N-OG1 2.83Å; A130-T151 WeakPolarHBondContact O-CA 3.04Å; V132-T151 HydrophobicContact CG2-CG2 3.93Å; A147-T151 HydrophobicContact CB-CG2 4.15Å; T148-T151 PolarHBondContact O-OG1 2.91Å; T151-F153 HydrophobicContact CG2-CE2 3.91Å; T151-F153 HydrophobicContact CG2-CZ 4.12Å; T151-R169 PolarHBondContact O-NH1 2.59Å; T151-R169 PolarHBondContact O-NH2 2.85Å
152	T	97.8	Very high	98.2	Very high	36 Å²	36	40.5 Å²	40.5	22%	0.221	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-129.8	136.5	-177.4	170.1	0	0	0	0	110.7	V132 S133 N150 K154	V132-T152 CarbonylContact C-O 3.3Å; V132-T152 VanDerWaalsContact CA-O 3.25Å; V132-T152 WeakPolarHBondContact CA-O 3.26Å; V132-T152 WeakPolarHBondContact CB-O 3.49Å; V132-T152 PolarHBondContact N-O 2.87Å; S133-T152 PolarHBondContact N-O 3.29Å; S133-T152 WeakPolarHBondContact OG-CG2 3.26Å; N150-T152 PolarHBondContact O-N 2.85Å; T152-K154 PolarHBondContact OG1-N 2.83Å
153	F	98.5	Very high	98.2	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.009	23%	0.232	C	C	.	.			trans	-109.5	18.4	175.2	-63.8	-89.7	0	0	0	112.7	V132 L137 A147 T151 G155 S156 F163 L168 L176	V132-F153 HydrophobicContact CB-CD1 3.94Å; V132-F153 HydrophobicContact CB-CE1 4.04Å; V132-F153 HydrophobicContact CG1-CD1 3.86Å; V132-F153 HydrophobicContact CG1-CE1 3.87Å; V132-F153 HydrophobicContact CG2-CE1 4.3Å; L137-F153 HydrophobicContact CD1-CD1 3.94Å; L137-F153 HydrophobicContact CD1-CE1 4.07Å; A147-F153 HydrophobicContact CB-CE2 3.93Å; A147-F153 HydrophobicContact CB-CZ 3.86Å; T151-F153 HydrophobicContact CG2-CE2 3.91Å; T151-F153 HydrophobicContact CG2-CZ 4.12Å; F153-G155 PolarHBondContact O-N 3.01Å; F153-S156 VanDerWaalsContact O-CB 3.27Å; F153-S156 WeakPolarHBondContact O-CB 3.37Å; F153-S156 PolarHBondContact O-N 2.94Å; F153-S156 PolarHBondContact O-OG 2.94Å; F153-F163 HydrophobicContact CE1-CE1 4.23Å; F153-F163 HydrophobicContact CZ-CE1 4.36Å; F153-L168 HydrophobicContact CE2-CD2 3.81Å; F153-L176 HydrophobicContact CB-CD2 3.69Å; F153-L176 HydrophobicContact CB-CG 4.47Å; F153-L176 HydrophobicContact CD2-CD1 4.25Å; F153-L176 HydrophobicContact CG-CD1 4.39Å; F153-L176 HydrophobicContact CG-CD2 4.3Å
154	K	98.3	Very high	98.2	Very high	146 Å²	146	38.4 Å²	38.4	64%	0.635	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	124.3	-172.8	-172.7	178	-179.9	177.7	0	111.9	S133 K134 T152 S156	S133-K154 CarbonylContact C-O 3.6Å; S133-K154 VanDerWaalsContact CA-O 3.25Å; S133-K154 WeakPolarHBondContact CA-O 3.21Å; S133-K154 WeakPolarHBondContact CB-O 3.38Å; K134-K154 PolarHBondContact N-O 2.65Å; T152-K154 PolarHBondContact OG1-N 2.83Å; K154-S156 PolarHBondContact O-N 3.49Å
155	G	98.5	Very high	98.2	Very high	46 Å²	46	42.3 Å²	42.3	47%	0.474	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	5.8	178.1	0	0	0	0	0	114.7	K134 F153 Y175	K134-G155 WeakPolarHBondContact CA-O 3.41Å; F153-G155 PolarHBondContact O-N 3.01Å; G155-Y175 PolarHBondContact N-OH 3.05Å
156	S	98.8	Very high	98.2	Very high	5 Å²	5	43.1 Å²	43.1	4%	0.035	24%	0.242	C	C	.	.			trans	-74.7	142.8	177.2	-61.9	0	0	0	0	111.1	V132 K134 V135 F153 K154	V132-S156 PolarHBondContact O-OG 3.01Å; K134-S156 PolarHBondContact N-OG 2.88Å; K134-S156 VanDerWaalsContact N-OG 3.09Å; V135-S156 PolarHBondContact N-OG 3.32Å; V135-S156 CarbonylContact O-C 3.57Å; V135-S156 WeakPolarHBondContact O-CA 3.36Å; V135-S156 WeakPolarHBondContact O-CB 3.46Å; F153-S156 VanDerWaalsContact O-CB 3.27Å; F153-S156 WeakPolarHBondContact O-CB 3.37Å; F153-S156 PolarHBondContact O-N 2.94Å; F153-S156 PolarHBondContact O-OG 2.94Å; K154-S156 PolarHBondContact O-N 3.49Å
157	N	98.9	Very high	98.1	Very high	81 Å²	81	42.4 Å²	42.4	43%	0.433	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-84.6	119.6	172.6	-179.1	5.3	0	0	0	108.5	V135 L137 T138 Y159	V135-N157 PolarHBondContact O-N 3.15Å; L137-N157 CarbonylContact C-O 3.57Å; L137-N157 WeakPolarHBondContact CA-O 3.48Å; L137-N157 WeakPolarHBondContact CB-O 3.48Å; L137-N157 PolarHBondContact N-O 3.2Å; T138-N157 PolarHBondContact OG1-ND2 2.92Å; N157-Y159 WeakPolarHBondContact OD1-CB 3.37Å; N157-Y159 PolarHBondContact OD1-N 3.15Å
158	I	98.8	Very high	98.1	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	25%	0.247	C	C	.	.			trans	-116.4	21	-179.1	61.7	152.2	0	0	0	112.9	L137 G160 A161 F163 L176 I179 A180 T191 L195	L137-I158 HydrophobicContact CB-CG2 4.39Å; L137-I158 HydrophobicContact CD1-CG2 4.13Å; I158-G160 PolarHBondContact O-N 3.15Å; I158-A161 HydrophobicContact CB-CB 4.02Å; I158-A161 WeakPolarHBondContact O-CB 3.35Å; I158-A161 PolarHBondContact O-N 2.97Å; I158-F163 HydrophobicContact CB-CE2 4.04Å; I158-F163 HydrophobicContact CB-CZ 4.44Å; I158-F163 HydrophobicContact CD1-CE2 4.2Å; I158-F163 HydrophobicContact CG2-CE2 4Å; I158-F163 HydrophobicContact CG2-CZ 3.88Å; I158-L176 HydrophobicContact CD1-CB 4.13Å; I158-L176 HydrophobicContact CD1-CD2 4Å; I158-L176 HydrophobicContact CG2-CD2 4.17Å; I158-I179 HydrophobicContact CD1-CD1 4.48Å; I158-I179 HydrophobicContact CD1-CG1 4.12Å; I158-I179 HydrophobicContact CG1-CD1 4.1Å; I158-I179 HydrophobicContact CG1-CG1 4.08Å; I158-A180 HydrophobicContact CD1-CB 3.8Å; I158-T191 HydrophobicContact CD1-CG2 3.91Å; I158-T191 HydrophobicContact CG1-CG2 4.5Å; I158-T191 WeakPolarHBondContact O-CG2 3.49Å; I158-L195 HydrophobicContact CD1-CD1 3.93Å
159	Y	98.9	Very high	98.2	Very high	121 Å²	121	44 Å²	44	48%	0.475	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	121.5	178.8	-176.3	-86.3	0	0	0	111.1	T138 N139 N157 A161 D181	T138-Y159 CarbonylContact C-O 3.53Å; T138-Y159 VanDerWaalsContact CA-O 3.24Å; T138-Y159 WeakPolarHBondContact CA-O 3.26Å; T138-Y159 HydrophobicContact CG2-CD1 4.31Å; N139-Y159 PolarHBondContact N-O 3.02Å; N157-Y159 WeakPolarHBondContact OD1-CB 3.37Å; N157-Y159 PolarHBondContact OD1-N 3.15Å; Y159-A161 PolarHBondContact O-N 3.29Å; Y159-D181 WeakPolarHBondContact CA-O 3.3Å; Y159-D181 HydrophobicContact CD2-CB 4.15Å; Y159-D181 HydrophobicContact CE2-CB 4.41Å
160	G	98.9	Very high	98.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	13.1	-175.6	0	0	0	0	0	115	N139 I158 D181 N184 T191	N139-G160 WeakPolarHBondContact CA-O 3.29Å; I158-G160 PolarHBondContact O-N 3.15Å; G160-D181 PolarHBondContact N-O 3.16Å; G160-N184 WeakPolarHBondContact O-CA 3.34Å; G160-N184 WeakPolarHBondContact O-CB 3.42Å; G160-N184 PolarHBondContact O-ND2 2.9Å; G160-T191 WeakPolarHBondContact CA-OG1 3.3Å; G160-T191 PolarHBondContact N-OG1 3.4Å; G160-T191 VanDerWaalsContact N-OG1 3.11Å
161	A	98.9	Very high	98.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.243	C	C	.	.			trans	-71	137.9	175	0	0	0	0	0	110.5	L137 A140 L142 I158 Y159 F163 T191	L137-A161 HydrophobicContact CB-CB 4.34Å; L137-A161 WeakPolarHBondContact O-CB 3.44Å; A140-A161 WeakPolarHBondContact O-CA 3.04Å; L142-A161 HydrophobicContact CD1-CB 4.18Å; I158-A161 HydrophobicContact CB-CB 4.02Å; I158-A161 WeakPolarHBondContact O-CB 3.35Å; I158-A161 PolarHBondContact O-N 2.97Å; Y159-A161 PolarHBondContact O-N 3.29Å; A161-F163 HydrophobicContact CB-CD2 4.15Å; A161-F163 HydrophobicContact CB-CE2 3.61Å; A161-F163 HydrophobicContact CB-CZ 4.37Å; A161-T191 PolarHBondContact N-OG1 2.95Å; A161-T191 WeakPolarHBondContact O-CG2 3.24Å; A161-T191 PolarHBondContact O-OG1 3.2Å
162	D	98.9	Very high	98.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-98.9	115	177	-167.8	-29.8	0	0	0	110.3	A140 L142 T164 N184 T187 N189 T194	A140-D162 PolarHBondContact O-N 3.25Å; L142-D162 CarbonylContact C-O 3.54Å; L142-D162 WeakPolarHBondContact CA-O 3.39Å; L142-D162 VanDerWaalsContact CB-O 3.29Å; L142-D162 WeakPolarHBondContact CB-O 3.35Å; L142-D162 PolarHBondContact N-O 3.05Å; D162-T164 WeakPolarHBondContact OD1-CB 3.27Å; D162-T164 PolarHBondContact OD1-N 3.09Å; D162-T164 PolarHBondContact OD1-OG1 3.03Å; D162-N184 HydrophobicContact CB-CB 4.15Å; D162-T187 VanDerWaalsContact OD2-CB 3.25Å; D162-T187 WeakPolarHBondContact OD2-CB 3.34Å; D162-T187 WeakPolarHBondContact OD2-CG2 3.44Å; D162-T187 PolarHBondContact OD2-OG1 2.97Å; D162-N189 PolarHBondContact OD2-ND2 3.37Å; D162-T194 VanDerWaalsContact OD1-CG2 3.25Å; D162-T194 WeakPolarHBondContact OD1-CG2 3.03Å
163	F	98.8	Very high	98.1	Very high	3 Å²	3	49 Å²	49	1%	0.013	25%	0.251	C	S	.	.			trans	-104.9	21	178.4	-72.4	-90	0	0	0	113.4	L137 L142 F153 I158 A161 D165 V166 L168 L176 T194 L195	L137-F163 HydrophobicContact CD1-CZ 4.39Å; L142-F163 HydrophobicContact CD1-CE1 4.36Å; L142-F163 HydrophobicContact CD1-CZ 4.33Å; L142-F163 HydrophobicContact CD2-CE1 4.13Å; F153-F163 HydrophobicContact CE1-CE1 4.23Å; F153-F163 HydrophobicContact CZ-CE1 4.36Å; I158-F163 HydrophobicContact CB-CE2 4.04Å; I158-F163 HydrophobicContact CB-CZ 4.44Å; I158-F163 HydrophobicContact CD1-CE2 4.2Å; I158-F163 HydrophobicContact CG2-CE2 4Å; I158-F163 HydrophobicContact CG2-CZ 3.88Å; A161-F163 HydrophobicContact CB-CD2 4.15Å; A161-F163 HydrophobicContact CB-CE2 3.61Å; A161-F163 HydrophobicContact CB-CZ 4.37Å; F163-D165 PolarHBondContact O-N 2.79Å; F163-V166 HydrophobicContact CB-CB 4.35Å; F163-V166 HydrophobicContact CB-CG2 4.29Å; F163-V166 HydrophobicContact CD1-CB 4.31Å; F163-V166 HydrophobicContact CD1-CG1 4.28Å; F163-V166 HydrophobicContact CD1-CG2 4.28Å; F163-V166 WeakPolarHBondContact O-CB 3.31Å; F163-V166 WeakPolarHBondContact O-CG2 3.25Å; F163-V166 PolarHBondContact O-N 2.66Å; F163-L168 HydrophobicContact CD1-CD1 4.43Å; F163-L176 HydrophobicContact CE1-CD1 4.05Å; F163-L176 HydrophobicContact CZ-CD1 4.03Å; F163-T194 PolarHBondContact N-OG1 3.45Å; F163-L195 HydrophobicContact CB-CD2 3.64Å; F163-L195 HydrophobicContact CB-CG 4.02Å; F163-L195 HydrophobicContact CD1-CD2 4.13Å; F163-L195 HydrophobicContact CD2-CD1 4.18Å; F163-L195 HydrophobicContact CD2-CD2 3.77Å; F163-L195 HydrophobicContact CD2-CG 3.91Å; F163-L195 HydrophobicContact CE2-CD2 4.42Å; F163-L195 HydrophobicContact CG-CD2 3.59Å; F163-L195 HydrophobicContact CG-CG 4.12Å
164	T	98.8	Very high	98.1	Very high	37 Å²	37	54.4 Å²	54.4	23%	0.227	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	130.5	-179.8	-61.3	0	0	0	0	110.3	E143 G144 D162 V166 T194	E143-T164 CarbonylContact C-O 3.53Å; E143-T164 VanDerWaalsContact CA-O 3.25Å; E143-T164 WeakPolarHBondContact CA-O 3.44Å; E143-T164 HydrophobicContact CG-CG2 4.29Å; G144-T164 PolarHBondContact N-O 3.37Å; D162-T164 WeakPolarHBondContact OD1-CB 3.27Å; D162-T164 PolarHBondContact OD1-N 3.09Å; D162-T164 PolarHBondContact OD1-OG1 3.03Å; T164-V166 PolarHBondContact O-N 2.89Å; T164-V166 VanDerWaalsContact O-N 3.09Å; T164-T194 WeakPolarHBondContact OG1-CG2 3.43Å
165	D	98.5	Very high	98.1	Very high	114 Å²	114	50.8 Å²	50.8	61%	0.61	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	23.2	-179.3	-59.5	-31.4	0	0	0	115.5	F163 P167	F163-D165 PolarHBondContact O-N 2.79Å; D165-P167 VanDerWaalsContact O-CD 3.28Å; D165-P167 WeakPolarHBondContact O-CD 3.18Å
166	V	98.5	Very high	98.1	Very high	17 Å²	17	48.6 Å²	48.6	10%	0.103	24%	0.237	C	C	.	.			trans	-87.7	111.7	172.2	-179.6	0	0	0	0	109.9	L142 A145 A147 F163 T164 L168	L142-V166 HydrophobicContact CB-CG2 4.11Å; L142-V166 WeakPolarHBondContact O-CG2 3.47Å; A145-V166 HydrophobicContact CB-CG2 4.18Å; A147-V166 HydrophobicContact CB-CG1 4.08Å; F163-V166 HydrophobicContact CB-CB 4.35Å; F163-V166 HydrophobicContact CB-CG2 4.29Å; F163-V166 HydrophobicContact CD1-CB 4.31Å; F163-V166 HydrophobicContact CD1-CG1 4.28Å; F163-V166 HydrophobicContact CD1-CG2 4.28Å; F163-V166 WeakPolarHBondContact O-CB 3.31Å; F163-V166 WeakPolarHBondContact O-CG2 3.25Å; F163-V166 PolarHBondContact O-N 2.66Å; T164-V166 PolarHBondContact O-N 2.89Å; T164-V166 VanDerWaalsContact O-N 3.09Å; V166-L168 HydrophobicContact CG1-CD2 4.1Å; V166-L168 HydrophobicContact CG1-CG 4.05Å; V166-L168 PolarHBondContact O-N 3.15Å; V166-L168 VanDerWaalsContact O-N 3.15Å
167	P	96.9	Very high	98.1	Very high	66 Å²	66	50 Å²	50	43%	0.429	25%	0.246	S	C	.	.			trans	-68.5	115.3	174.4	28	-33.3	0	0	0	110.1	A145 L146 D165	A145-P167 WeakPolarHBondContact O-CD 3.45Å; L146-P167 HydrophobicContact CD2-CG 4.21Å; D165-P167 VanDerWaalsContact O-CD 3.28Å; D165-P167 WeakPolarHBondContact O-CD 3.18Å
168	L	97.6	Very high	98.1	Very high	22 Å²	22	53 Å²	53	12%	0.115	26%	0.255	C	S	.	.			trans	-116.9	139.1	177.7	-68.9	170	0	0	0	111	A147 F153 F163 V166 R173 L176 L195	A147-L168 HydrophobicContact CB-CD2 3.98Å; F153-L168 HydrophobicContact CE2-CD2 3.81Å; F163-L168 HydrophobicContact CD1-CD1 4.43Å; V166-L168 HydrophobicContact CG1-CD2 4.1Å; V166-L168 HydrophobicContact CG1-CG 4.05Å; V166-L168 PolarHBondContact O-N 3.15Å; V166-L168 VanDerWaalsContact O-N 3.15Å; L168-R173 HydrophobicContact CB-CB 4.08Å; L168-R173 HydrophobicContact CD1-CB 4.38Å; L168-R173 PolarHBondContact O-NH1 3.28Å; L168-L176 HydrophobicContact CD1-CD1 3.84Å; L168-L195 HydrophobicContact CD1-CD2 3.51Å
169	R	97.3	Very high	98.1	Very high	76 Å²	76	56.2 Å²	56.2	29%	0.287	27%	0.271	S	S	.	.			trans	-59.2	149	165.3	-57.2	-171	-52.1	-78.1	1.9	110	G149 T151 D171 Q172 R173	G149-R169 WeakPolarHBondContact O-CD 3.38Å; G149-R169 VanDerWaalsContact O-CZ 3.25Å; G149-R169 PolarHBondContact O-NH1 2.96Å; T151-R169 PolarHBondContact O-NH1 2.59Å; T151-R169 PolarHBondContact O-NH2 2.85Å; R169-D171 VanDerWaalsContact C-N 3.28Å; R169-D171 WeakPolarHBondContact CB-OD1 3.34Å; R169-D171 IonicContact CZ-OD1 3.64Å; R169-D171 IonicContact NE-OD1 3.61Å; R169-D171 PolarHBondContact NE-OD1 3.29Å; R169-D171 IonicContact NE-OD2 2.76Å; R169-D171 IonicContact NH2-OD2 3.55Å; R169-D171 PolarHBondContact NH2-OD2 2.84Å; R169-D171 PolarHBondContact O-N 3.39Å; R169-Q172 PolarHBondContact O-N 3.46Å; R169-Q172 VanDerWaalsContact O-N 3.11Å; R169-R173 PolarHBondContact O-N 3.06Å
170	D	96.4	Very high	98	Very high	113 Å²	113	50.6 Å²	50.6	60%	0.604	25%	0.25	S	S	*	.	H	α-helix	trans	-57.6	-40	-175.4	-67.5	-13.5	0	0	0	112.8	Q172 R173 E174	D170-Q172 PolarHBondContact O-N 2.87Å; D170-R173 PolarHBondContact O-N 2.83Å; D170-R173 IonicContact OD1-CZ 2.67Å; D170-R173 VanDerWaalsContact OD1-CZ 3.29Å; D170-R173 IonicContact OD1-NH1 2.8Å; D170-R173 PolarHBondContact OD1-NH1 3.26Å; D170-R173 IonicContact OD1-NH2 2.71Å; D170-R173 PolarHBondContact OD1-NH2 2.6Å; D170-E174 VanDerWaalsContact O-CB 3.3Å; D170-E174 WeakPolarHBondContact O-CB 3.25Å; D170-E174 PolarHBondContact O-N 2.96Å
171	D	95.8	Very high	98	Very high	81 Å²	81	55.3 Å²	55.3	43%	0.433	28%	0.275	S	S	.	.	H	α-helix	trans	-62.8	-41.5	177.8	67.7	-59.4	0	0	0	112.5	R169 Y175	R169-D171 VanDerWaalsContact C-N 3.28Å; R169-D171 WeakPolarHBondContact CB-OD1 3.34Å; R169-D171 IonicContact CZ-OD1 3.64Å; R169-D171 IonicContact NE-OD1 3.61Å; R169-D171 PolarHBondContact NE-OD1 3.29Å; R169-D171 IonicContact NE-OD2 2.76Å; R169-D171 IonicContact NH2-OD2 3.55Å; R169-D171 PolarHBondContact NH2-OD2 2.84Å; R169-D171 PolarHBondContact O-N 3.39Å; D171-Y175 WeakPolarHBondContact O-CB 3.27Å; D171-Y175 PolarHBondContact O-N 3.39Å
172	Q	97	Very high	98	Very high	20 Å²	20	55.8 Å²	55.8	9%	0.093	28%	0.281	C	S	.	.	H	α-helix	trans	-72.1	-43.6	178.9	-65.3	-57	-64.8	0	0	111.1	R169 D170 E174 Y175 L176	R169-Q172 PolarHBondContact O-N 3.46Å; R169-Q172 VanDerWaalsContact O-N 3.11Å; D170-Q172 PolarHBondContact O-N 2.87Å; Q172-E174 VanDerWaalsContact C-N 3.33Å; Q172-E174 PolarHBondContact O-N 2.9Å; Q172-Y175 PolarHBondContact O-N 3.06Å; Q172-L176 WeakPolarHBondContact O-CB 3.4Å; Q172-L176 VanDerWaalsContact O-CG 3.31Å; Q172-L176 WeakPolarHBondContact O-CG 3.09Å; Q172-L176 PolarHBondContact O-N 2.99Å
173	R	98	Very high	98	Very high	78 Å²	78	59.5 Å²	59.5	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-60.7	-44.8	176.5	-170.5	172.8	64	-102	-1.9	110.8	L168 R169 D170 Y175 L176 C177 L195	L168-R173 HydrophobicContact CB-CB 4.08Å; L168-R173 HydrophobicContact CD1-CB 4.38Å; L168-R173 PolarHBondContact O-NH1 3.28Å; R169-R173 PolarHBondContact O-N 3.06Å; D170-R173 PolarHBondContact O-N 2.83Å; D170-R173 IonicContact OD1-CZ 2.67Å; D170-R173 VanDerWaalsContact OD1-CZ 3.29Å; D170-R173 IonicContact OD1-NH1 2.8Å; D170-R173 PolarHBondContact OD1-NH1 3.26Å; D170-R173 IonicContact OD1-NH2 2.71Å; D170-R173 PolarHBondContact OD1-NH2 2.6Å; R173-Y175 VanDerWaalsContact C-N 3.35Å; R173-Y175 PolarHBondContact O-N 2.88Å; R173-L176 PolarHBondContact O-N 3.39Å; R173-C177 WeakPolarHBondContact O-CB 3.09Å; R173-C177 PolarHBondContact O-N 3.47Å; R173-C177 PolarHBondContact O-SG 3.11Å; R173-L195 WeakPolarHBondContact CD-O 3.28Å; R173-L195 WeakPolarHBondContact CG-O 3.31Å
174	E	98	Very high	98	Very high	114 Å²	114	59.4 Å²	59.4	53%	0.533	30%	0.303	S	S	.	.	H	α-helix	trans	-60	-44	175.4	-168.3	-162.6	142.7	0	0	111.8	D170 Q172 C177 K178	D170-E174 VanDerWaalsContact O-CB 3.3Å; D170-E174 WeakPolarHBondContact O-CB 3.25Å; D170-E174 PolarHBondContact O-N 2.96Å; Q172-E174 VanDerWaalsContact C-N 3.33Å; Q172-E174 PolarHBondContact O-N 2.9Å; E174-C177 PolarHBondContact O-N 3.23Å; E174-K178 WeakPolarHBondContact O-CG 3.46Å; E174-K178 PolarHBondContact O-N 3.24Å; E174-K178 WeakPolarHBondContact OE1-CE 3.41Å; E174-K178 IonicContact OE1-NZ 3.5Å; E174-K178 PolarHBondContact OE1-NZ 2.76Å
175	Y	98	Very high	98	Very high	71 Å²	71	62.5 Å²	62.5	28%	0.278	32%	0.322	S	S	.	.	H	α-helix	trans	-61.3	-49.5	175.8	174.6	-100.5	0	0	0	112.1	G155 D171 Q172 R173 C177 K178 I179	G155-Y175 PolarHBondContact N-OH 3.05Å; D171-Y175 WeakPolarHBondContact O-CB 3.27Å; D171-Y175 PolarHBondContact O-N 3.39Å; Q172-Y175 PolarHBondContact O-N 3.06Å; R173-Y175 VanDerWaalsContact C-N 3.35Å; R173-Y175 PolarHBondContact O-N 2.88Å; Y175-C177 VanDerWaalsContact C-N 3.32Å; Y175-C177 PolarHBondContact O-N 3.4Å; Y175-K178 WeakPolarHBondContact O-CB 3.48Å; Y175-K178 PolarHBondContact O-N 3.45Å; Y175-I179 HydrophobicContact CE1-CD1 3.94Å
176	L	98.7	Very high	97.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.7	-40.2	180	-69.6	-178.4	0	0	0	111.3	F153 I158 F163 L168 Q172 R173 K178 I179 A180 L195	F153-L176 HydrophobicContact CB-CD2 3.69Å; F153-L176 HydrophobicContact CB-CG 4.47Å; F153-L176 HydrophobicContact CD2-CD1 4.25Å; F153-L176 HydrophobicContact CG-CD1 4.39Å; F153-L176 HydrophobicContact CG-CD2 4.3Å; I158-L176 HydrophobicContact CD1-CB 4.13Å; I158-L176 HydrophobicContact CD1-CD2 4Å; I158-L176 HydrophobicContact CG2-CD2 4.17Å; F163-L176 HydrophobicContact CE1-CD1 4.05Å; F163-L176 HydrophobicContact CZ-CD1 4.03Å; L168-L176 HydrophobicContact CD1-CD1 3.84Å; Q172-L176 WeakPolarHBondContact O-CB 3.4Å; Q172-L176 VanDerWaalsContact O-CG 3.31Å; Q172-L176 WeakPolarHBondContact O-CG 3.09Å; Q172-L176 PolarHBondContact O-N 2.99Å; R173-L176 PolarHBondContact O-N 3.39Å; L176-K178 PolarHBondContact O-N 3.11Å; L176-I179 HydrophobicContact CD2-CD1 4.24Å; L176-I179 CarbonylContact O-C 3.6Å; L176-I179 VanDerWaalsContact O-CG1 3.27Å; L176-I179 WeakPolarHBondContact O-CG1 3.34Å; L176-I179 PolarHBondContact O-N 3.48Å; L176-A180 VanDerWaalsContact O-CB 3.31Å; L176-A180 WeakPolarHBondContact O-CB 3.2Å; L176-A180 PolarHBondContact O-N 2.84Å; L176-L195 HydrophobicContact CB-CD1 3.89Å; L176-L195 HydrophobicContact CB-CD2 4.23Å; L176-L195 HydrophobicContact CD1-CD2 3.93Å
177	C	98.7	Very high	97.9	Very high	33 Å²	33	63.5 Å²	63.5	22%	0.223	33%	0.332	C	S	.	.	H	α-helix	trans	-61.2	-27.6	177.3	-75.5	0	0	0	0	114.3	R173 E174 Y175 I179 C197	R173-C177 WeakPolarHBondContact O-CB 3.09Å; R173-C177 PolarHBondContact O-N 3.47Å; R173-C177 PolarHBondContact O-SG 3.11Å; E174-C177 PolarHBondContact O-N 3.23Å; Y175-C177 VanDerWaalsContact C-N 3.32Å; Y175-C177 PolarHBondContact O-N 3.4Å; C177-I179 PolarHBondContact O-N 3.21Å; C177-C197 WeakPolarHBondContact CA-SG 3.48Å; C177-C197 HydrophobicContact CB-CB 3.76Å; C177-C197 WeakPolarHBondContact CB-SG 3.32Å; C177-C197 WeakPolarHBondContact SG-CA 3.41Å; C177-C197 WeakPolarHBondContact SG-CB 3.31Å; C177-C197 CovalentContact SG-SG 2.04Å; C177-C197 PolarHBondContact SG-SG 3.42Å
178	K	98.4	Very high	98	Very high	146 Å²	146	62.9 Å²	62.9	64%	0.635	34%	0.338	S	S	*	.	H	α-helix	trans	-69.2	-23.5	174.9	-68	167.6	-174.3	166.8	0	112.8	E174 Y175 L176	E174-K178 WeakPolarHBondContact O-CG 3.46Å; E174-K178 PolarHBondContact O-N 3.24Å; E174-K178 WeakPolarHBondContact OE1-CE 3.41Å; E174-K178 IonicContact OE1-NZ 3.5Å; E174-K178 PolarHBondContact OE1-NZ 2.76Å; Y175-K178 WeakPolarHBondContact O-CB 3.48Å; Y175-K178 PolarHBondContact O-N 3.45Å; L176-K178 PolarHBondContact O-N 3.11Å
179	I	98.3	Very high	98.1	Very high	68 Å²	68	64.9 Å²	64.9	35%	0.349	35%	0.349	S	S	.	.	H	α-helix	trans	-118.1	-8.1	-174.9	65.2	166.6	0	0	0	113.7	I158 Y175 L176 C177	I158-I179 HydrophobicContact CD1-CD1 4.48Å; I158-I179 HydrophobicContact CD1-CG1 4.12Å; I158-I179 HydrophobicContact CG1-CD1 4.1Å; I158-I179 HydrophobicContact CG1-CG1 4.08Å; Y175-I179 HydrophobicContact CE1-CD1 3.94Å; L176-I179 HydrophobicContact CD2-CD1 4.24Å; L176-I179 CarbonylContact O-C 3.6Å; L176-I179 VanDerWaalsContact O-CG1 3.27Å; L176-I179 WeakPolarHBondContact O-CG1 3.34Å; L176-I179 PolarHBondContact O-N 3.48Å; C177-I179 PolarHBondContact O-N 3.21Å
180	A	98.6	Very high	98.1	Very high	4 Å²	4	62.3 Å²	62.3	3%	0.033	34%	0.344	C	S	.	.			trans	-66	131.4	-177	0	0	0	0	0	111.1	I158 L176 T191 K192 L195	I158-A180 HydrophobicContact CD1-CB 3.8Å; L176-A180 VanDerWaalsContact O-CB 3.31Å; L176-A180 WeakPolarHBondContact O-CB 3.2Å; L176-A180 PolarHBondContact O-N 2.84Å; A180-T191 HydrophobicContact CB-CG2 3.81Å; A180-K192 HydrophobicContact CB-CG 3.76Å; A180-K192 WeakPolarHBondContact O-CE 3.36Å; A180-L195 HydrophobicContact CB-CD1 3.68Å
181	D	98.7	Very high	98.2	Very high	98 Å²	98	56.9 Å²	56.9	52%	0.524	32%	0.315	S	S	.	.			trans	-157.6	170.2	173.7	-161.4	8.2	0	0	0	110.1	Y159 G160 T191	Y159-D181 WeakPolarHBondContact CA-O 3.3Å; Y159-D181 HydrophobicContact CD2-CB 4.15Å; Y159-D181 HydrophobicContact CE2-CB 4.41Å; G160-D181 PolarHBondContact N-O 3.16Å; D181-T191 WeakPolarHBondContact O-CB 3.47Å; D181-T191 PolarHBondContact O-OG1 3.14Å
182	G	98.7	Very high	98.4	Very high	11 Å²	11	58.2 Å²	58.2	11%	0.113	32%	0.316	C	S	.	.	S	Bend	trans	81.5	175.7	176.8	0	0	0	0	0	114.9	T191	G182-T191 PolarHBondContact O-N 3.12Å; G182-T191 PolarHBondContact O-OG1 3.03Å
183	V	98.8	Very high	98.5	Very high	77 Å²	77	63.9 Å²	63.9	47%	0.467	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-125.8	130.7	179	178.9	0	0	0	0	107.7	T185 G188 A190	V183-T185 PolarHBondContact O-N 3.05Å; V183-G188 VanDerWaalsContact CG1-O 3.23Å; V183-G188 WeakPolarHBondContact CG1-O 3.33Å; V183-A190 HydrophobicContact CG2-CB 4.21Å
184	N	98.8	Very high	98.5	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	33%	0.332	C	S	.	.			trans	-62.5	125	178.4	-172.4	-76.6	0	0	0	110.1	N139 A140 G160 D162 T186 T187 G188 N189	N139-N184 PolarHBondContact O-ND2 2.99Å; A140-N184 PolarHBondContact O-ND2 3.18Å; G160-N184 WeakPolarHBondContact O-CA 3.34Å; G160-N184 WeakPolarHBondContact O-CB 3.42Å; G160-N184 PolarHBondContact O-ND2 2.9Å; D162-N184 HydrophobicContact CB-CB 4.15Å; N184-T186 PolarHBondContact O-N 3.01Å; N184-T186 WeakPolarHBondContact OD1-CA 3.43Å; N184-T186 VanDerWaalsContact OD1-CB 3.3Å; N184-T186 WeakPolarHBondContact OD1-CB 3.4Å; N184-T186 PolarHBondContact OD1-N 3.17Å; N184-T187 VanDerWaalsContact CB-OG1 3.28Å; N184-T187 WeakPolarHBondContact CB-OG1 3.47Å; N184-T187 PolarHBondContact OD1-N 3.25Å; N184-T187 PolarHBondContact OD1-OG1 2.67Å; N184-G188 VanDerWaalsContact O-CA 3.27Å; N184-G188 WeakPolarHBondContact O-CA 3.23Å; N184-G188 PolarHBondContact O-N 3.02Å; N184-N189 PolarHBondContact N-O 3.16Å
185	T	98.4	Very high	98.5	Very high	102 Å²	102	55.2 Å²	55.2	63%	0.626	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.3	-176.2	54.8	0	0	0	0	113.8	V183	V183-T185 PolarHBondContact O-N 3.05Å
186	T	97.3	Very high	98.5	Very high	108 Å²	108	59.2 Å²	59.2	66%	0.663	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-45.5	179.8	-56.9	0	0	0	0	111.8	N184	N184-T186 PolarHBondContact O-N 3.01Å; N184-T186 WeakPolarHBondContact OD1-CA 3.43Å; N184-T186 VanDerWaalsContact OD1-CB 3.3Å; N184-T186 WeakPolarHBondContact OD1-CB 3.4Å; N184-T186 PolarHBondContact OD1-N 3.17Å
187	T	98.2	Very high	98.4	Very high	44 Å²	44	60.9 Å²	60.9	27%	0.27	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-22.9	-176.2	64.7	0	0	0	0	113.3	N141 D162 N184 N189	N141-T187 VanDerWaalsContact ND2-CG2 3.26Å; N141-T187 WeakPolarHBondContact ND2-CG2 3.43Å; D162-T187 VanDerWaalsContact OD2-CB 3.25Å; D162-T187 WeakPolarHBondContact OD2-CB 3.34Å; D162-T187 WeakPolarHBondContact OD2-CG2 3.44Å; D162-T187 PolarHBondContact OD2-OG1 2.97Å; N184-T187 VanDerWaalsContact CB-OG1 3.28Å; N184-T187 WeakPolarHBondContact CB-OG1 3.47Å; N184-T187 PolarHBondContact OD1-N 3.25Å; N184-T187 PolarHBondContact OD1-OG1 2.67Å; T187-N189 PolarHBondContact O-N 3.33Å; T187-N189 PolarHBondContact OG1-N 3.34Å
188	G	98.5	Very high	98	Very high	53 Å²	53	72.5 Å²	72.5	55%	0.546	38%	0.384	S	S	.	.			trans	78	2.1	-174.3	0	0	0	0	0	114.3	V183 N184	V183-G188 VanDerWaalsContact CG1-O 3.23Å; V183-G188 WeakPolarHBondContact CG1-O 3.33Å; N184-G188 VanDerWaalsContact O-CA 3.27Å; N184-G188 WeakPolarHBondContact O-CA 3.23Å; N184-G188 PolarHBondContact O-N 3.02Å
189	N	98.7	Very high	98	Very high	64 Å²	64	68.8 Å²	68.8	34%	0.342	37%	0.371	S	S	.	.			trans	-83.4	138.4	-179	-61.5	-32.9	0	0	0	111.3	D162 N184 T187 T194	D162-N189 PolarHBondContact OD2-ND2 3.37Å; N184-N189 PolarHBondContact N-O 3.16Å; T187-N189 PolarHBondContact O-N 3.33Å; T187-N189 PolarHBondContact OG1-N 3.34Å; N189-T194 HydrophobicContact CB-CG2 3.55Å
190	A	98.7	Very high	97.9	Very high	22 Å²	22	68.8 Å²	68.8	18%	0.182	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-75.2	132.6	174.7	0	0	0	0	0	111	V183 K192 E193 T194	V183-A190 HydrophobicContact CG2-CB 4.21Å; A190-K192 VanDerWaalsContact C-N 3.26Å; A190-K192 PolarHBondContact O-N 2.88Å; A190-K192 VanDerWaalsContact O-N 3.14Å; A190-E193 HydrophobicContact CB-CB 4.31Å; A190-E193 HydrophobicContact CB-CG 3.98Å; A190-E193 WeakPolarHBondContact O-CB 3.34Å; A190-E193 PolarHBondContact O-N 2.04Å; A190-T194 WeakPolarHBondContact O-CG2 2.8Å; A190-T194 PolarHBondContact O-N 3.42Å; A190-T194 VanDerWaalsContact O-N 3.12Å
191	T	98.8	Very high	97.9	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-51.1	-45.2	-177	-50.5	0	0	0	0	112.1	I158 G160 A161 A180 D181 G182 E193 T194 L195	I158-T191 HydrophobicContact CD1-CG2 3.91Å; I158-T191 HydrophobicContact CG1-CG2 4.5Å; I158-T191 WeakPolarHBondContact O-CG2 3.49Å; G160-T191 WeakPolarHBondContact CA-OG1 3.3Å; G160-T191 PolarHBondContact N-OG1 3.4Å; G160-T191 VanDerWaalsContact N-OG1 3.11Å; A161-T191 PolarHBondContact N-OG1 2.95Å; A161-T191 WeakPolarHBondContact O-CG2 3.24Å; A161-T191 PolarHBondContact O-OG1 3.2Å; A180-T191 HydrophobicContact CB-CG2 3.81Å; D181-T191 WeakPolarHBondContact O-CB 3.47Å; D181-T191 PolarHBondContact O-OG1 3.14Å; G182-T191 PolarHBondContact O-N 3.12Å; G182-T191 PolarHBondContact O-OG1 3.03Å; T191-E193 VanDerWaalsContact C-N 3.32Å; T191-E193 PolarHBondContact O-N 3.31Å; T191-T194 PolarHBondContact O-N 3.33Å; T191-T194 PolarHBondContact O-OG1 2.79Å; T191-L195 HydrophobicContact CG2-CD1 4.06Å; T191-L195 WeakPolarHBondContact O-CG 3.27Å; T191-L195 PolarHBondContact O-N 2.98Å; T191-L195 VanDerWaalsContact O-N 3.16Å
192	K	98.7	Very high	97.9	Very high	108 Å²	108	70.9 Å²	70.9	47%	0.47	38%	0.383	S	S	.	.	H	α-helix	trans	-62.9	-35.6	179.8	-71.3	-174.1	-179.6	-177.8	0	113.4	A180 A190 F196 C197	A180-K192 HydrophobicContact CB-CG 3.76Å; A180-K192 WeakPolarHBondContact O-CE 3.36Å; A190-K192 VanDerWaalsContact C-N 3.26Å; A190-K192 PolarHBondContact O-N 2.88Å; A190-K192 VanDerWaalsContact O-N 3.14Å; K192-F196 PolarHBondContact O-N 3.2Å; K192-C197 HydrophobicContact CB-CB 4.26Å; K192-C197 WeakPolarHBondContact O-CB 2.99Å; K192-C197 PolarHBondContact O-N 2.71Å
193	E	98.6	Very high	97.8	Very high	139 Å²	139	74.7 Å²	74.7	65%	0.65	40%	0.4	S	S	*	.	H	α-helix	trans	-71.7	-43.8	179.4	-66.5	176.7	175.9	0	0	110.3	A190 T191 L195 F196	A190-E193 HydrophobicContact CB-CB 4.31Å; A190-E193 HydrophobicContact CB-CG 3.98Å; A190-E193 WeakPolarHBondContact O-CB 3.34Å; A190-E193 PolarHBondContact O-N 2.04Å; T191-E193 VanDerWaalsContact C-N 3.32Å; T191-E193 PolarHBondContact O-N 3.31Å; E193-L195 PolarHBondContact O-N 2.91Å; E193-F196 PolarHBondContact O-N 3.49Å
194	T	98.7	Very high	97.7	Very high	9 Å²	9	74.5 Å²	74.5	6%	0.055	40%	0.396	C	S	.	.	H	α-helix	trans	-63.7	-26.8	177.9	70.4	0	0	0	0	113	D162 F163 T164 N189 A190 T191	D162-T194 VanDerWaalsContact OD1-CG2 3.25Å; D162-T194 WeakPolarHBondContact OD1-CG2 3.03Å; F163-T194 PolarHBondContact N-OG1 3.45Å; T164-T194 WeakPolarHBondContact OG1-CG2 3.43Å; N189-T194 HydrophobicContact CB-CG2 3.55Å; A190-T194 WeakPolarHBondContact O-CG2 2.8Å; A190-T194 PolarHBondContact O-N 3.42Å; A190-T194 VanDerWaalsContact O-N 3.12Å; T191-T194 PolarHBondContact O-N 3.33Å; T191-T194 PolarHBondContact O-OG1 2.79Å
195	L	98.6	Very high	97.7	Very high	2 Å²	2	79.8 Å²	79.8	1%	0.01	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-3.7	175.2	-74.5	169.4	0	0	0	113.7	I158 F163 L168 R173 L176 A180 T191 E193 C197	I158-L195 HydrophobicContact CD1-CD1 3.93Å; F163-L195 HydrophobicContact CB-CD2 3.64Å; F163-L195 HydrophobicContact CB-CG 4.02Å; F163-L195 HydrophobicContact CD1-CD2 4.13Å; F163-L195 HydrophobicContact CD2-CD1 4.18Å; F163-L195 HydrophobicContact CD2-CD2 3.77Å; F163-L195 HydrophobicContact CD2-CG 3.91Å; F163-L195 HydrophobicContact CE2-CD2 4.42Å; F163-L195 HydrophobicContact CG-CD2 3.59Å; F163-L195 HydrophobicContact CG-CG 4.12Å; L168-L195 HydrophobicContact CD1-CD2 3.51Å; R173-L195 WeakPolarHBondContact CD-O 3.28Å; R173-L195 WeakPolarHBondContact CG-O 3.31Å; L176-L195 HydrophobicContact CB-CD1 3.89Å; L176-L195 HydrophobicContact CB-CD2 4.23Å; L176-L195 HydrophobicContact CD1-CD2 3.93Å; A180-L195 HydrophobicContact CB-CD1 3.68Å; T191-L195 HydrophobicContact CG2-CD1 4.06Å; T191-L195 WeakPolarHBondContact O-CG 3.27Å; T191-L195 PolarHBondContact O-N 2.98Å; T191-L195 VanDerWaalsContact O-N 3.16Å; E193-L195 PolarHBondContact O-N 2.91Å; L195-C197 VanDerWaalsContact C-N 3.25Å; L195-C197 VanDerWaalsContact CB-SG 3.54Å; L195-C197 PolarHBondContact O-N 3.4Å
196	F	97.5	Very high	97.6	Very high	154 Å²	154	78.1 Å²	78.1	68%	0.675	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	41.9	-172.5	-55.2	-79.7	0	0	0	113.1	K192 E193	K192-F196 PolarHBondContact O-N 3.2Å; E193-F196 PolarHBondContact O-N 3.49Å
197	C	97.7	Very high	97.6	Very high	35 Å²	35	75.6 Å²	75.6	24%	0.236	39%	0.387	C	S	.	.			trans	-64.9	137.8	176.8	-59.9	0	0	0	0	110.9	C177 K192 L195	C177-C197 WeakPolarHBondContact CA-SG 3.48Å; C177-C197 HydrophobicContact CB-CB 3.76Å; C177-C197 WeakPolarHBondContact CB-SG 3.32Å; C177-C197 WeakPolarHBondContact SG-CA 3.41Å; C177-C197 WeakPolarHBondContact SG-CB 3.31Å; C177-C197 CovalentContact SG-SG 2.04Å; C177-C197 PolarHBondContact SG-SG 3.42Å; K192-C197 HydrophobicContact CB-CB 4.26Å; K192-C197 WeakPolarHBondContact O-CB 2.99Å; K192-C197 PolarHBondContact O-N 2.71Å; L195-C197 VanDerWaalsContact C-N 3.25Å; L195-C197 VanDerWaalsContact CB-SG 3.54Å; L195-C197 PolarHBondContact O-N 3.4Å
198	K	88.8	Confident	97.6	Very high	277 Å²	277	78.5 Å²	78.5	100%	1.204	40%	0.397	S	S	*	.			trans	-95.1	0	178.2	-64.6	-176.6	-178.8	178.8	0	111.7

Retrieved 198 of 198 residues in 759.1 ms (Link to these results)

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