A0A077Z7U5_TRITR Loading...

18S rRNA aminocarboxypropyltransferase

Aminocarboxypropyltransferase that catalyzes the aminocarboxypropyl transfer on pseudouridine in 18S rRNA. It constitutes the last step in biosynthesis of the hypermodified N1-methyl-N3-(3-amino-3-carboxypropyl) pseudouridine (m1acp3-Psi).

AlphaFold DB , UniProt , Accession A0A077Z7U5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 254 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	44.7	Very low	46.9	Very low	240 Å²	240	175.1 Å²	175.1	100%	1.182	85%	0.852	S	S	*	*				0	127.2	0	-71.5	-97.7	164.7	0	0	108.4
2	P	51.1	Low	46.9	Very low	124 Å²	124	177.7 Å²	177.7	81%	0.805	85%	0.845	S	S	*	*			trans	-85.7	144.9	-146.5	31.9	-34.2	0	0	0	115.3
3	K	43.4	Very low	46.2	Very low	208 Å²	208	176.5 Å²	176.5	90%	0.904	85%	0.847	S	S	*	*			trans	-67.3	132.7	166.7	-63.2	-179.4	176.4	177.9	0	110.5
4	K	55.8	Low	46	Very low	211 Å²	211	172.4 Å²	172.4	92%	0.917	85%	0.846	S	S	*	*			trans	-137.3	106.6	153.9	-79.7	-171.2	179.3	175.8	0	110.8
5	S	44.8	Very low	45.8	Very low	111 Å²	111	168.1 Å²	168.1	78%	0.776	84%	0.84	S	S	*	*			trans	-85	146.5	161.7	54.5	0	0	0	0	109.9
6	R	52	Low	45.6	Very low	228 Å²	228	165.1 Å²	165.1	86%	0.86	84%	0.84	S	S	*	*			trans	156.8	141.2	159	-92.3	164.9	165.3	-171.8	-3	106.6
7	K	49.5	Very low	45.4	Very low	172 Å²	172	160.2 Å²	160.2	75%	0.748	84%	0.84	S	S	*	*			cis	-162.7	140.4	14.2	-133.6	166.9	178.9	179.8	0	106.3
8	K	46.5	Very low	45.3	Very low	207 Å²	207	158.5 Å²	158.5	90%	0.9	84%	0.844	S	S	*	*			trans	-69.3	127.9	170.5	-91	171	172	171.1	0	109.8
9	N	44.2	Very low	45.4	Very low	139 Å²	139	154.3 Å²	154.3	74%	0.743	84%	0.842	S	S	*	*			trans	-98.3	116.3	163.2	-86.5	3.2	0	0	0	110.9
10	K	47.1	Very low	45.3	Very low	167 Å²	167	153.3 Å²	153.3	73%	0.726	85%	0.847	S	S	*	*			trans	-92.1	115.3	175	-176.7	172.6	-177.4	170.3	0	107	R12	K10-R12 PolarHBondContact O-N 2.9Å
11	C	37.1	Very low	45.4	Very low	119 Å²	119	149.7 Å²	149.7	80%	0.804	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-72.1	121.6	166.5	-57.2	0	0	0	0	107
12	R	46	Very low	45.5	Very low	206 Å²	206	144.4 Å²	144.4	78%	0.777	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-102.6	132.7	171.2	-78.3	-179	161	-178.3	-5	107.7	K10	K10-R12 PolarHBondContact O-N 2.9Å
13	D	38	Very low	45.5	Very low	163 Å²	163	142.2 Å²	142.2	87%	0.872	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-61.8	146.6	162.1	-79.8	-61.2	0	0	0	110.6
14	S	43.6	Very low	45.7	Very low	118 Å²	118	138.7 Å²	138.7	83%	0.825	83%	0.833	S	S	*	*			trans	-141.6	110.5	162.7	-59.9	0	0	0	0	107.6
15	S	42.7	Very low	45.6	Very low	108 Å²	108	132.6 Å²	132.6	76%	0.755	83%	0.83	S	S	*	*			trans	-76.2	164.1	173.3	28	0	0	0	0	111.7
16	S	43.4	Very low	45.9	Very low	121 Å²	121	133.5 Å²	133.5	85%	0.846	84%	0.836	S	S	*	*			trans	74.7	119.3	160.2	65.9	0	0	0	0	118.5
17	G	42	Very low	45.9	Very low	81 Å²	81	126.5 Å²	126.5	84%	0.835	84%	0.835	S	S	*	*			trans	-163	85.3	167.9	0	0	0	0	0	107.7
18	S	44	Very low	45.9	Very low	130 Å²	130	124.5 Å²	124.5	91%	0.909	84%	0.843	S	S	*	*			trans	-71.6	133.6	174.7	-21.4	0	0	0	0	109.4
19	G	45.7	Very low	46.2	Very low	79 Å²	79	118.7 Å²	118.7	81%	0.814	84%	0.841	S	S	*	*			trans	-144.4	105.7	172.9	0	0	0	0	0	109.6
20	S	43.7	Very low	46.7	Very low	133 Å²	133	118.2 Å²	118.2	93%	0.93	85%	0.849	S	S	*	*			trans	-74.8	137.6	174.4	30.1	0	0	0	0	110.8
21	G	48.8	Very low	46.9	Very low	78 Å²	78	113.2 Å²	113.2	80%	0.804	85%	0.845	S	S	*	*			trans	-154.5	101.8	173.5	0	0	0	0	0	109.8
22	S	46.3	Very low	47.9	Very low	130 Å²	130	112.7 Å²	112.7	91%	0.909	84%	0.843	S	S	*	*			trans	-70.4	136.9	176.5	44.6	0	0	0	0	112.1
23	G	50.8	Low	48.4	Very low	78 Å²	78	109.8 Å²	109.8	80%	0.804	84%	0.843	S	S	*	*			trans	-155.7	102.4	168.7	0	0	0	0	0	110.1
24	S	48.6	Very low	49.3	Very low	134 Å²	134	107 Å²	107	94%	0.937	84%	0.836	S	S	*	*			trans	-78.2	141.2	177.1	22.1	0	0	0	0	111.2
25	G	52.7	Low	50	Low	82 Å²	82	108.4 Å²	108.4	85%	0.845	83%	0.834	S	S	*	*			trans	-166.3	96.8	173.3	0	0	0	0	0	110.3
26	S	50.2	Low	50.6	Low	130 Å²	130	108 Å²	108	91%	0.909	83%	0.832	S	S	*	*			trans	-77.2	143.4	178.8	24.9	0	0	0	0	111.9
27	G	52	Low	50.8	Low	82 Å²	82	105.6 Å²	105.6	85%	0.845	83%	0.826	S	S	*	*			trans	-165.4	95.7	171.9	0	0	0	0	0	110.4
28	S	51.2	Low	51.3	Low	130 Å²	130	106.8 Å²	106.8	91%	0.909	82%	0.821	S	S	*	*			trans	-80.3	143.5	179.1	30.7	0	0	0	0	112.1
29	G	52.2	Low	51.5	Low	84 Å²	84	110.5 Å²	110.5	87%	0.866	82%	0.821	S	S	*	*			trans	-165.5	104	171	0	0	0	0	0	110.6
30	S	53.6	Low	51.4	Low	129 Å²	129	110.5 Å²	110.5	90%	0.902	82%	0.821	S	S	*	*			trans	-96.6	149.3	-173	44.7	0	0	0	0	113.2
31	G	53.3	Low	51.5	Low	63 Å²	63	109.5 Å²	109.5	65%	0.649	81%	0.814	S	S	*	*			trans	165.9	98	156.8	0	0	0	0	0	111
32	S	57.6	Low	51.3	Low	108 Å²	108	110.8 Å²	110.8	76%	0.755	81%	0.81	S	S	*	*				48.3	135.6	89.7	47.9	0	0	0	0	114.1
33	D	56.3	Low	51.3	Low	144 Å²	144	113.6 Å²	113.6	77%	0.77	81%	0.806	S	S	*	*			cis	-173.1	160.6	4.3	-106.7	-38.5	0	0	0	108.9
34	S	57.3	Low	50.9	Low	104 Å²	104	114.7 Å²	114.7	73%	0.727	80%	0.802	S	S	*	*			trans	72.1	116.3	146.3	-58.3	0	0	0	0	120.4
35	D	57.3	Low	50.8	Low	149 Å²	149	113.5 Å²	113.5	80%	0.797	79%	0.793	S	S	*	*				98.7	142.4	84.1	-162.6	49	0	0	0	108.8
36	S	54.9	Low	50	Low	100 Å²	100	115.4 Å²	115.4	70%	0.699	79%	0.794	S	S	*	*			cis	-167.3	166.2	12	11.9	0	0	0	0	106.9
37	G	47.7	Very low	49.8	Very low	70 Å²	70	112.9 Å²	112.9	72%	0.722	79%	0.788	S	S	*	*			trans	115.5	85.7	135.3	0	0	0	0	0	120.8
38	S	53.6	Low	49.2	Very low	106 Å²	106	114.7 Å²	114.7	74%	0.741	79%	0.788	S	S	*	*				60.9	120	123.3	-71.6	0	0	0	0	124.2
39	K	47.1	Very low	48.6	Very low	208 Å²	208	114.4 Å²	114.4	90%	0.904	79%	0.786	S	S	*	*				70.2	125.7	125.3	-63.4	178.6	-179.1	179.2	0	119.9
40	G	43.5	Very low	48.2	Very low	79 Å²	79	115.7 Å²	115.7	81%	0.814	78%	0.782	S	S	*	*			trans	172.4	103.1	159.9	0	0	0	0	0	113.9
41	S	46.1	Very low	47.5	Very low	112 Å²	112	115.8 Å²	115.8	78%	0.783	78%	0.782	S	S	*	*			trans	-77.7	163.5	-169.9	-50.4	0	0	0	0	115.6
42	S	44.7	Very low	46.5	Very low	104 Å²	104	116 Å²	116	73%	0.727	78%	0.784	S	S	*	*			trans	85.3	130.9	137.8	39.6	0	0	0	0	122.3
43	K	47.2	Very low	45.6	Very low	190 Å²	190	116 Å²	116	83%	0.826	78%	0.776	S	S	*	*			trans	103.4	102.1	135.9	-83.3	171.6	-177.6	-175.8	0	119.6
44	S	40.7	Very low	44.6	Very low	101 Å²	101	113.7 Å²	113.7	71%	0.706	77%	0.771	S	S	*	*				58.5	118.6	121.6	63.4	0	0	0	0	120.1
45	S	47.9	Very low	43.6	Very low	108 Å²	108	116.6 Å²	116.6	76%	0.755	78%	0.778	S	S	*	*				169.6	103.5	129.8	34.4	0	0	0	0	108.3
46	S	36	Very low	43.6	Very low	123 Å²	123	114.6 Å²	114.6	86%	0.86	76%	0.764	S	S	*	*				59.1	97.3	103.7	66.2	0	0	0	0	113.6
47	G	44.5	Very low	44.7	Very low	77 Å²	77	116 Å²	116	79%	0.794	76%	0.764	S	S	*	*			trans	-152.9	48.9	172.9	0	0	0	0	0	111.8	S49	G47-S49 PolarHBondContact O-N 3.15Å
48	S	39.7	Very low	46.9	Very low	119 Å²	119	119.4 Å²	119.4	83%	0.832	76%	0.755	S	S	*	*			trans	-61.8	121.5	156.3	-77.2	0	0	0	0	108.7
49	S	39.8	Very low	48.9	Very low	125 Å²	125	114.6 Å²	114.6	87%	0.874	72%	0.721	S	S	*	*			trans	165.7	123	155.9	-75.4	0	0	0	0	107.1	G47	G47-S49 PolarHBondContact O-N 3.15Å
50	S	43.4	Very low	51.3	Low	111 Å²	111	111.4 Å²	111.4	78%	0.776	70%	0.703	S	S	*	*			cis	-158.1	118.4	7.8	178.6	0	0	0	0	106.2	G52	S50-G52 PolarHBondContact O-N 3.47Å
51	S	38	Very low	53.9	Low	130 Å²	130	107.9 Å²	107.9	91%	0.909	67%	0.666	S	S	*	*			trans	-59.7	120.4	161.4	-49.7	0	0	0	0	108.5
52	G	32.5	Very low	56.4	Low	67 Å²	67	102.5 Å²	102.5	69%	0.691	63%	0.628	S	S	*	*			trans	168.7	67	177	0	0	0	0	0	114.2	S50	S50-G52 PolarHBondContact O-N 3.47Å
53	D	40.5	Very low	58.9	Low	110 Å²	110	97.6 Å²	97.6	59%	0.588	59%	0.594	S	S	*	*			trans	-136.2	89.4	146.2	-155.7	17.8	0	0	0	108.8
54	S	35.1	Very low	61.2	Low	95 Å²	95	88.5 Å²	88.5	66%	0.664	55%	0.554	S	S	*	*			trans	-43.1	131.6	175.8	-35.2	0	0	0	0	111.4	Q56	S54-Q56 PolarHBondContact O-N 3.01Å
55	N	36.4	Very low	63.8	Low	165 Å²	165	84.6 Å²	84.6	88%	0.882	53%	0.525	S	S	*	.			trans	-19.8	68.2	161	-156	23.9	0	0	0	116.2
56	Q	56.7	Low	65.9	Low	106 Å²	106	81.1 Å²	81.1	50%	0.495	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-84.1	123.3	172.4	-78.4	-179	25.3	0	0	107.4	S54 R58	S54-Q56 PolarHBondContact O-N 3.01Å; Q56-R58 PolarHBondContact O-N 3.13Å; Q56-R58 VanDerWaalsContact O-N 3.11Å
57	D	77.7	Confident	68.6	Low	129 Å²	129	83.7 Å²	83.7	69%	0.69	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-49.2	120	175.5	-71.1	-38.2	0	0	0	110.2	V59	D57-V59 PolarHBondContact O-N 3.41Å
58	R	93.4	Very high	70.7	Confident	142 Å²	142	82.1 Å²	82.1	54%	0.536	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-58.9	132.6	176	-81.9	177.6	139.5	-145	-5.1	109.6	Q56 R60 E84 E184	Q56-R58 PolarHBondContact O-N 3.13Å; Q56-R58 VanDerWaalsContact O-N 3.11Å; R58-R60 PolarHBondContact O-N 3.26Å; R58-E84 IonicContact NH1-OE2 2.64Å; R58-E84 IonicContact NH2-OE2 2.66Å; R58-E184 IonicContact CZ-OE2 2.97Å; R58-E184 IonicContact NE-OE2 3.54Å; R58-E184 IonicContact NH2-OE2 3.86Å; R58-E184 PolarHBondContact NH2-OE2 2.93Å
59	V	97.1	Very high	73	Confident	5 Å²	5	78.7 Å²	78.7	3%	0.03	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-71	129.2	177.7	177.9	0	0	0	0	109.6	D57 L61 V115 L120 L173 F178 Q181	D57-V59 PolarHBondContact O-N 3.41Å; V59-L61 HydrophobicContact CG1-CD2 4.2Å; V59-L61 PolarHBondContact O-N 3.03Å; V59-V115 HydrophobicContact CG1-CG1 3.66Å; V59-V115 HydrophobicContact CG2-CG1 3.98Å; V59-L120 HydrophobicContact CG1-CB 4.48Å; V59-L120 HydrophobicContact CG1-CD1 4.18Å; V59-L120 HydrophobicContact CG1-CG 4.23Å; V59-L173 HydrophobicContact CB-CD2 3.71Å; V59-L173 HydrophobicContact CG1-CD2 4.14Å; V59-L173 HydrophobicContact CG2-CD2 3.9Å; V59-F178 HydrophobicContact CG2-CD1 3.71Å; V59-F178 HydrophobicContact CG2-CD2 3.51Å; V59-F178 HydrophobicContact CG2-CE1 3.58Å; V59-F178 HydrophobicContact CG2-CE2 3.39Å; V59-F178 HydrophobicContact CG2-CG 3.66Å; V59-F178 HydrophobicContact CG2-CZ 3.42Å; V59-F178 VanDerWaalsContact CG2-CZ 3.42Å; V59-Q181 PolarHBondContact O-NE2 3.31Å
60	R	97.3	Very high	75.3	Confident	142 Å²	142	76.8 Å²	76.8	54%	0.536	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-65.4	127.8	173.2	-179	-178.1	175.9	-144.5	1.2	110.7	R58 G119 L120	R58-R60 PolarHBondContact O-N 3.26Å; R60-G119 CarbonylContact O-C 3.49Å; R60-G119 WeakPolarHBondContact O-CA 3.46Å; R60-L120 PolarHBondContact O-N 3.42Å
61	L	98.2	Very high	77.5	Confident	4 Å²	4	73.9 Å²	73.9	2%	0.021	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.3	176.7	-51.3	-178.1	0	0	0	111.7	V59 V85 T86 L120 F169 L173 L185	V59-L61 HydrophobicContact CG1-CD2 4.2Å; V59-L61 PolarHBondContact O-N 3.03Å; L61-V85 HydrophobicContact CB-CB 4.3Å; L61-V85 HydrophobicContact CB-CG1 4.29Å; L61-V85 HydrophobicContact CB-CG2 3.75Å; L61-V85 HydrophobicContact CD1-CG2 4.03Å; L61-T86 PolarHBondContact O-N 2.76Å; L61-L120 CarbonylContact C-O 3.49Å; L61-L120 WeakPolarHBondContact CA-O 3.49Å; L61-L120 HydrophobicContact CD2-CB 3.93Å; L61-L120 HydrophobicContact CD2-CD1 4.4Å; L61-F169 HydrophobicContact CB-CD1 4.39Å; L61-F169 HydrophobicContact CB-CE1 3.93Å; L61-F169 HydrophobicContact CB-CZ 4.14Å; L61-F169 HydrophobicContact CD1-CD1 4.27Å; L61-F169 HydrophobicContact CD1-CG 4.32Å; L61-F169 HydrophobicContact CD2-CD1 3.78Å; L61-F169 HydrophobicContact CD2-CE1 3.98Å; L61-F169 HydrophobicContact CG-CD1 4.37Å; L61-F169 HydrophobicContact CG-CE1 4.38Å; L61-L173 HydrophobicContact CD1-CD1 4.3Å; L61-L173 HydrophobicContact CD2-CD1 4.38Å; L61-L173 HydrophobicContact CD2-CD2 4.28Å; L61-L185 HydrophobicContact CD1-CD1 4.04Å; L61-L185 HydrophobicContact CD1-CD2 4.42Å
62	A	97.7	Very high	79.9	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	153	179.1	0	0	0	0	0	112.9	T86 L88 F94 L120 A121 V122 F169	A62-T86 CarbonylContact C-O 3.5Å; A62-T86 WeakPolarHBondContact CA-O 3.34Å; A62-L88 HydrophobicContact CB-CD1 3.77Å; A62-L88 HydrophobicContact CB-CD2 4.19Å; A62-L88 HydrophobicContact CB-CG 3.89Å; A62-F94 HydrophobicContact CB-CD2 3.86Å; A62-F94 HydrophobicContact CB-CE2 3.49Å; A62-F94 VanDerWaalsContact CB-CE2 3.49Å; A62-F94 HydrophobicContact CB-CZ 4.16Å; A62-L120 PolarHBondContact N-O 3.5Å; A62-A121 HydrophobicContact CB-CB 4.25Å; A62-A121 CarbonylContact O-C 3.59Å; A62-A121 WeakPolarHBondContact O-CA 3.02Å; A62-A121 WeakPolarHBondContact O-CB 3.29Å; A62-V122 PolarHBondContact O-N 3.44Å; A62-F169 VanDerWaalsContact O-CZ 3.28Å; A62-F169 WeakPolarHBondContact O-CZ 3.2Å
63	L	96.5	Very high	82.6	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.6	176.7	71.1	82.5	0	0	0	112.6	N65 G76 V80 V85 T86 C87 L88 V122 D124	L63-N65 HydrophobicContact CD1-CB 3.65Å; L63-G76 WeakPolarHBondContact CD2-O 3.35Å; L63-V80 HydrophobicContact CD1-CG2 4.44Å; L63-V80 HydrophobicContact CD2-CG2 3.51Å; L63-V80 HydrophobicContact CG-CG2 4.04Å; L63-V85 HydrophobicContact CB-CG1 3.94Å; L63-V85 HydrophobicContact CD2-CB 4.38Å; L63-V85 HydrophobicContact CD2-CG1 3.67Å; L63-V85 HydrophobicContact CG-CG1 3.82Å; L63-T86 PolarHBondContact N-O 3.47Å; L63-C87 HydrophobicContact CD1-CB 4.34Å; L63-C87 CarbonylContact O-C 3.49Å; L63-L88 WeakPolarHBondContact O-CB 3.49Å; L63-L88 PolarHBondContact O-N 2.81Å; L63-V122 VanDerWaalsContact CA-O 3.31Å; L63-V122 WeakPolarHBondContact CA-O 3.36Å; L63-V122 HydrophobicContact CB-CG2 3.72Å; L63-D124 HydrophobicContact CD1-CB 4.39Å
64	W	96.2	Very high	85.1	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.9	161.9	-69	-84	0	0	0	108.8	L88 R89 M90 A92 F94 T98 A121 V122 V123 D124 V138	W64-L88 HydrophobicContact CD2-CB 4.4Å; W64-L88 HydrophobicContact CD2-CD1 3.94Å; W64-L88 HydrophobicContact CE3-CD1 4.31Å; W64-L88 HydrophobicContact CG-CB 4.2Å; W64-L88 HydrophobicContact CH2-CD1 4.08Å; W64-L88 HydrophobicContact CZ2-CD1 3.63Å; W64-L88 HydrophobicContact CZ3-CD1 4.36Å; W64-R89 PolarHBondContact NE1-O 2.89Å; W64-M90 HydrophobicContact CB-CE 3.69Å; W64-M90 HydrophobicContact CG-CE 4.3Å; W64-A92 VanDerWaalsContact CZ2-O 3.29Å; W64-A92 WeakPolarHBondContact CZ2-O 3.28Å; W64-A92 PolarHBondContact NE1-O 2.88Å; W64-F94 HydrophobicContact CH2-CB 3.44Å; W64-F94 VanDerWaalsContact CH2-CB 3.44Å; W64-F94 HydrophobicContact CH2-CG 4.32Å; W64-F94 HydrophobicContact CZ2-CB 3.78Å; W64-F94 HydrophobicContact CZ3-CB 4.39Å; W64-T98 HydrophobicContact CE3-CG2 4.44Å; W64-T98 HydrophobicContact CZ3-CG2 3.68Å; W64-A121 HydrophobicContact CE3-CB 4.39Å; W64-A121 HydrophobicContact CH2-CB 4.4Å; W64-A121 HydrophobicContact CZ3-CB 3.74Å; W64-V122 PolarHBondContact N-O 3.11Å; W64-V123 HydrophobicContact CE3-CG2 4.2Å; W64-D124 PolarHBondContact O-N 3.32Å; W64-V138 HydrophobicContact CB-CG1 3.64Å; W64-V138 HydrophobicContact CD2-CB 4.25Å; W64-V138 HydrophobicContact CD2-CG1 3.91Å; W64-V138 HydrophobicContact CG-CB 4.32Å; W64-V138 HydrophobicContact CG-CG1 3.48Å; W64-V138 VanDerWaalsContact CG-CG1 3.48Å
65	N	94.6	Very high	87.9	Confident	18 Å²	18	73 Å²	73	10%	0.096	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115.8	179.4	-178.9	10.2	0	0	0	111.9	L63 K67 L77 M90 D124	L63-N65 HydrophobicContact CD1-CB 3.65Å; N65-K67 VanDerWaalsContact C-N 3.29Å; N65-K67 WeakPolarHBondContact OD1-CA 3.31Å; N65-K67 PolarHBondContact OD1-N 3.42Å; N65-L77 WeakPolarHBondContact ND2-CD1 3.16Å; N65-L77 VanDerWaalsContact ND2-CD2 3.3Å; N65-L77 WeakPolarHBondContact ND2-CD2 3.49Å; N65-L77 WeakPolarHBondContact ND2-CG 3.33Å; N65-M90 WeakPolarHBondContact O-CE 3.39Å; N65-D124 HydrophobicContact CB-CB 4.49Å; N65-D124 PolarHBondContact OD1-OD2 3.02Å
66	F	93.3	Very high	90.7	Very high	36 Å²	36	65.1 Å²	65.1	16%	0.158	31%	0.307	C	S	.	.			trans	-80.1	-6.2	175	-82.7	-96.5	0	0	0	114	Q68 M90 V123 D124 T133 Q134 K137 V138	F66-Q68 VanDerWaalsContact C-N 3.3Å; F66-Q68 HydrophobicContact CB-CG 4.08Å; F66-Q68 PolarHBondContact O-N 2.93Å; F66-M90 HydrophobicContact CE2-SD 4.36Å; F66-M90 HydrophobicContact CZ-SD 4.36Å; F66-V123 HydrophobicContact CD2-CG1 3.69Å; F66-V123 HydrophobicContact CE2-CG1 3.46Å; F66-V123 VanDerWaalsContact CE2-CG1 3.46Å; F66-D124 PolarHBondContact N-O 3.02Å; F66-T133 HydrophobicContact CD1-CG2 3.82Å; F66-T133 HydrophobicContact CD2-CG2 4.18Å; F66-T133 HydrophobicContact CE1-CG2 3.86Å; F66-T133 HydrophobicContact CE2-CG2 4.24Å; F66-T133 HydrophobicContact CG-CG2 3.97Å; F66-T133 HydrophobicContact CZ-CG2 4.08Å; F66-Q134 HydrophobicContact CE1-CB 4.36Å; F66-Q134 WeakPolarHBondContact CE1-O 3.47Å; F66-Q134 WeakPolarHBondContact CZ-O 3.45Å; F66-K137 HydrophobicContact CE1-CB 4.45Å; F66-K137 HydrophobicContact CZ-CB 4.42Å; F66-V138 HydrophobicContact CE2-CG1 3.73Å; F66-V138 HydrophobicContact CE2-CG2 4.48Å; F66-V138 HydrophobicContact CZ-CG1 3.91Å; F66-V138 HydrophobicContact CZ-CG2 4.46Å
67	K	91.7	Very high	92.5	Very high	177 Å²	177	61.6 Å²	61.6	77%	0.77	29%	0.291	S	S	*	.			trans	60.2	34.4	178.2	-54.9	-178.7	178.5	-176.4	0	114	N65	N65-K67 VanDerWaalsContact C-N 3.29Å; N65-K67 WeakPolarHBondContact OD1-CA 3.31Å; N65-K67 PolarHBondContact OD1-N 3.42Å
68	Q	88.7	Confident	93.4	Very high	43 Å²	43	59.1 Å²	59.1	20%	0.201	27%	0.274	C	S	.	.			trans	-89.4	-14.5	178.4	-66.3	169.6	-20.5	0	0	113.3	F66 C125 T133	F66-Q68 VanDerWaalsContact C-N 3.3Å; F66-Q68 HydrophobicContact CB-CG 4.08Å; F66-Q68 PolarHBondContact O-N 2.93Å; Q68-C125 VanDerWaalsContact OE1-CA 3.24Å; Q68-T133 PolarHBondContact NE2-OG1 3.21Å; Q68-T133 PolarHBondContact OE1-OG1 3.24Å
69	C	87.8	Confident	93.6	Very high	47 Å²	47	52.4 Å²	52.4	32%	0.318	25%	0.249	S	C	.	.	S	Bend	trans	-106	150.6	-179.9	-61.3	0	0	0	0	110.4	A71 C74	C69-A71 PolarHBondContact O-N 3.34Å; C69-C74 HydrophobicContact CB-CB 4.02Å
70	D	89.2	Confident	93.6	Very high	86 Å²	86	53.9 Å²	53.9	46%	0.46	26%	0.258	S	S	.	.			trans	-56.9	124.1	168.7	175.9	-1.2	0	0	0	109.9	K72 K73 C74	D70-K72 PolarHBondContact O-N 2.81Å; D70-K72 VanDerWaalsContact O-N 3.09Å; D70-K72 PolarHBondContact OD1-N 3.13Å; D70-K73 HydrophobicContact CB-CB 4.41Å; D70-K73 HydrophobicContact CB-CG 4.45Å; D70-K73 PolarHBondContact O-N 3.31Å; D70-C74 WeakPolarHBondContact O-CB 3.42Å; D70-C74 PolarHBondContact O-N 2.85Å
71	A	89	Confident	93.5	Very high	50 Å²	50	54.1 Å²	54.1	41%	0.413	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-21.4	-177.5	0	0	0	0	0	114.2	C69 L77	C69-A71 PolarHBondContact O-N 3.34Å; A71-L77 HydrophobicContact CB-CD1 3.75Å
72	K	88.3	Confident	93.3	Very high	186 Å²	186	58 Å²	58	81%	0.809	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-30.4	175.2	-66.3	-177.5	-179.6	177.7	0	112.7	D70	D70-K72 PolarHBondContact O-N 2.81Å; D70-K72 VanDerWaalsContact O-N 3.09Å; D70-K72 PolarHBondContact OD1-N 3.13Å
73	K	89.3	Confident	93.2	Very high	175 Å²	175	65.2 Å²	65.2	76%	0.761	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-21.4	-176.9	-60.8	-177	-175.4	179.5	0	112.9	D70 S75	D70-K73 HydrophobicContact CB-CB 4.41Å; D70-K73 HydrophobicContact CB-CG 4.45Å; D70-K73 PolarHBondContact O-N 3.31Å; K73-S75 PolarHBondContact O-N 3.03Å
74	C	93	Very high	93.2	Very high	8 Å²	8	66.7 Å²	66.7	5%	0.054	33%	0.326	C	S	.	.			trans	-63.7	117	-179.3	175.3	0	0	0	0	111.8	C69 D70 G76 L77 K78 D124	C69-C74 HydrophobicContact CB-CB 4.02Å; D70-C74 WeakPolarHBondContact O-CB 3.42Å; D70-C74 PolarHBondContact O-N 2.85Å; C74-G76 VanDerWaalsContact C-N 3.34Å; C74-G76 PolarHBondContact O-N 2.75Å; C74-G76 PolarHBondContact SG-N 3.49Å; C74-G76 VanDerWaalsContact SG-N 3.38Å; C74-L77 HydrophobicContact CB-CB 4.08Å; C74-L77 HydrophobicContact CB-CD1 4.2Å; C74-L77 HydrophobicContact CB-CG 4.31Å; C74-L77 PolarHBondContact O-N 2.83Å; C74-L77 PolarHBondContact SG-N 3.35Å; C74-K78 PolarHBondContact O-N 3.41Å; C74-D124 VanDerWaalsContact SG-CG 3.56Å; C74-D124 PolarHBondContact SG-OD1 3.29Å; C74-D124 VanDerWaalsContact SG-OD1 3.39Å; C74-D124 PolarHBondContact SG-OD2 3.33Å
75	S	94.8	Very high	93.2	Very high	13 Å²	13	67 Å²	67	9%	0.091	33%	0.328	C	S	.	.	H	α-helix	trans	-65.7	-35.9	177.6	64.9	0	0	0	0	112.3	K73 K78 L79 C165 A166	K73-S75 PolarHBondContact O-N 3.03Å; S75-K78 PolarHBondContact O-N 2.76Å; S75-L79 WeakPolarHBondContact O-CG 3.42Å; S75-L79 PolarHBondContact O-N 2.92Å; S75-C165 PolarHBondContact OG-N 2.91Å; S75-A166 PolarHBondContact OG-N 2.84Å
76	G	94.4	Very high	93.3	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.8	-49.9	176.9	0	0	0	0	0	112	L63 C74 K78 L79 V80	L63-G76 WeakPolarHBondContact CD2-O 3.35Å; C74-G76 VanDerWaalsContact C-N 3.34Å; C74-G76 PolarHBondContact O-N 2.75Å; C74-G76 PolarHBondContact SG-N 3.49Å; C74-G76 VanDerWaalsContact SG-N 3.38Å; G76-K78 VanDerWaalsContact C-N 3.29Å; G76-K78 PolarHBondContact O-N 2.65Å; G76-L79 WeakPolarHBondContact O-CB 3.49Å; G76-L79 PolarHBondContact O-N 3.3Å; G76-L79 VanDerWaalsContact O-N 3.15Å; G76-V80 WeakPolarHBondContact O-CG2 3.36Å; G76-V80 PolarHBondContact O-N 3.3Å; G76-V80 VanDerWaalsContact O-N 3.11Å
77	L	95.2	Very high	93.5	Very high	33 Å²	33	70.7 Å²	70.7	17%	0.173	36%	0.356	C	S	.	.	H	α-helix	trans	-63.8	-33.4	175.4	-77.4	179.2	0	0	0	113.1	N65 A71 C74 L79 V80 K81	N65-L77 WeakPolarHBondContact ND2-CD1 3.16Å; N65-L77 VanDerWaalsContact ND2-CD2 3.3Å; N65-L77 WeakPolarHBondContact ND2-CD2 3.49Å; N65-L77 WeakPolarHBondContact ND2-CG 3.33Å; A71-L77 HydrophobicContact CB-CD1 3.75Å; C74-L77 HydrophobicContact CB-CB 4.08Å; C74-L77 HydrophobicContact CB-CD1 4.2Å; C74-L77 HydrophobicContact CB-CG 4.31Å; C74-L77 PolarHBondContact O-N 2.83Å; C74-L77 PolarHBondContact SG-N 3.35Å; L77-L79 VanDerWaalsContact C-N 3.34Å; L77-V80 PolarHBondContact O-N 3.4Å; L77-K81 WeakPolarHBondContact O-CG 3.49Å; L77-K81 PolarHBondContact O-N 3.02Å
78	K	96.2	Very high	93.7	Very high	77 Å²	77	63.3 Å²	63.3	34%	0.335	33%	0.325	S	S	.	.	H	α-helix	trans	-62.4	-41.9	172.9	-169.6	176.6	-175.7	-168.4	0	111.5	C74 S75 G76 V80 K81 H82 K188 F189	C74-K78 PolarHBondContact O-N 3.41Å; S75-K78 PolarHBondContact O-N 2.76Å; G76-K78 VanDerWaalsContact C-N 3.29Å; G76-K78 PolarHBondContact O-N 2.65Å; K78-V80 VanDerWaalsContact C-N 3.32Å; K78-V80 PolarHBondContact O-N 2.74Å; K78-K81 WeakPolarHBondContact O-CB 3.5Å; K78-K81 PolarHBondContact O-N 2.87Å; K78-H82 PolarHBondContact O-CD2 3.27Å; K78-H82 PolarHBondContact O-N 3.03Å; K78-H82 VanDerWaalsContact O-N 3.15Å; K78-K188 PolarHBondContact NZ-O 3.46Å; K78-F189 HydrophobicContact CB-CE1 4.27Å; K78-F189 HydrophobicContact CB-CZ 4.4Å; K78-F189 HydrophobicContact CD-CD1 4.09Å; K78-F189 HydrophobicContact CD-CE1 3.63Å; K78-F189 HydrophobicContact CD-CZ 4.23Å; K78-F189 HydrophobicContact CG-CE1 4.35Å
79	L	97.1	Very high	94	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-35.5	176	-68.6	177.3	0	0	0	113	S75 G76 L77 H82 N83 E84 V85 A166 F169 L185 F189	S75-L79 WeakPolarHBondContact O-CG 3.42Å; S75-L79 PolarHBondContact O-N 2.92Å; G76-L79 WeakPolarHBondContact O-CB 3.49Å; G76-L79 PolarHBondContact O-N 3.3Å; G76-L79 VanDerWaalsContact O-N 3.15Å; L77-L79 VanDerWaalsContact C-N 3.34Å; L79-H82 PolarHBondContact O-N 2.99Å; L79-N83 PolarHBondContact O-N 3.01Å; L79-E84 PolarHBondContact O-N 2.8Å; L79-E84 VanDerWaalsContact O-N 3.11Å; L79-V85 HydrophobicContact CB-CB 4.15Å; L79-V85 HydrophobicContact CB-CG2 3.62Å; L79-V85 HydrophobicContact CD1-CG2 3.97Å; L79-V85 HydrophobicContact CG-CG2 4.4Å; L79-A166 HydrophobicContact CD1-CB 3.85Å; L79-A166 HydrophobicContact CG-CB 4.47Å; L79-F169 HydrophobicContact CD1-CD2 3.99Å; L79-F169 HydrophobicContact CD1-CE2 4.46Å; L79-L185 HydrophobicContact CD1-CD1 3.86Å; L79-L185 HydrophobicContact CD1-CD2 4.03Å; L79-L185 HydrophobicContact CD1-CG 4.06Å; L79-L185 HydrophobicContact CD2-CD1 3.38Å; L79-L185 HydrophobicContact CD2-CG 3.8Å; L79-L185 HydrophobicContact CG-CD1 4.18Å; L79-F189 HydrophobicContact CD2-CE2 3.76Å; L79-F189 HydrophobicContact CD2-CZ 4Å; L79-F189 HydrophobicContact CG-CE2 4.26Å; L79-F189 HydrophobicContact CG-CZ 4.07Å
80	V	96.4	Very high	94.2	Very high	37 Å²	37	70.9 Å²	70.9	22%	0.224	35%	0.35	C	S	.	.	H	α-helix	trans	-62.9	-43.7	172.6	176.8	0	0	0	0	110.8	L63 G76 L77 K78 H82 N83 V85 C87	L63-V80 HydrophobicContact CD1-CG2 4.44Å; L63-V80 HydrophobicContact CD2-CG2 3.51Å; L63-V80 HydrophobicContact CG-CG2 4.04Å; G76-V80 WeakPolarHBondContact O-CG2 3.36Å; G76-V80 PolarHBondContact O-N 3.3Å; G76-V80 VanDerWaalsContact O-N 3.11Å; L77-V80 PolarHBondContact O-N 3.4Å; K78-V80 VanDerWaalsContact C-N 3.32Å; K78-V80 PolarHBondContact O-N 2.74Å; V80-H82 PolarHBondContact O-N 3.24Å; V80-N83 PolarHBondContact O-N 3.38Å; V80-V85 WeakPolarHBondContact CA-O 3.2Å; V80-V85 HydrophobicContact CG2-CB 4.32Å; V80-V85 HydrophobicContact CG2-CG1 4.47Å; V80-V85 WeakPolarHBondContact CG2-O 3.3Å; V80-C87 HydrophobicContact CG1-CB 4.28Å; V80-C87 HydrophobicContact CG2-CB 4.17Å
81	K	95.6	Very high	94.3	Very high	147 Å²	147	68.4 Å²	68.4	64%	0.639	34%	0.344	S	S	*	.	H	α-helix	trans	-61.9	-29.5	176.6	-71.5	175	179.3	175.9	0	113.3	L77 K78 N83	L77-K81 WeakPolarHBondContact O-CG 3.49Å; L77-K81 PolarHBondContact O-N 3.02Å; K78-K81 WeakPolarHBondContact O-CB 3.5Å; K78-K81 PolarHBondContact O-N 2.87Å; K81-N83 VanDerWaalsContact C-N 3.3Å
82	H	94.8	Very high	94.5	Very high	85 Å²	85	67.7 Å²	67.7	39%	0.394	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	7.4	175.6	-72	-67.2	0	0	0	113.7	K78 L79 V80 E84	K78-H82 PolarHBondContact O-CD2 3.27Å; K78-H82 PolarHBondContact O-N 3.03Å; K78-H82 VanDerWaalsContact O-N 3.15Å; L79-H82 PolarHBondContact O-N 2.99Å; V80-H82 PolarHBondContact O-N 3.24Å; H82-E84 HydrophobicContact CB-CG 4.16Å; H82-E84 PolarHBondContact O-N 3.15Å
83	N	94.9	Very high	94.6	Very high	152 Å²	152	64.6 Å²	64.6	81%	0.813	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	20.2	-178	-58.5	-46	0	0	0	114.9	L79 V80 K81	L79-N83 PolarHBondContact O-N 3.01Å; V80-N83 PolarHBondContact O-N 3.38Å; K81-N83 VanDerWaalsContact C-N 3.3Å
84	E	95.9	Very high	94.9	Very high	31 Å²	31	56.3 Å²	56.3	15%	0.145	29%	0.29	C	S	.	.	S	Bend	trans	-85.2	-26.4	176.7	-57.8	-69.5	-178.9	0	0	111.4	R58 L79 H82 L185 K188	R58-E84 IonicContact NH1-OE2 2.64Å; R58-E84 IonicContact NH2-OE2 2.66Å; L79-E84 PolarHBondContact O-N 2.8Å; L79-E84 VanDerWaalsContact O-N 3.11Å; H82-E84 HydrophobicContact CB-CG 4.16Å; H82-E84 PolarHBondContact O-N 3.15Å; E84-L185 HydrophobicContact CB-CD1 3.88Å; E84-L185 HydrophobicContact CG-CD1 4.27Å; E84-K188 WeakPolarHBondContact OE1-CE 3.37Å; E84-K188 IonicContact OE1-NZ 3.77Å; E84-K188 PolarHBondContact OE1-NZ 3.08Å
85	V	97.4	Very high	95	Very high	5 Å²	5	56.9 Å²	56.9	3%	0.03	30%	0.298	C	S	.	.	S	Bend	trans	-130.6	135.1	-175.8	-177.3	0	0	0	0	111.1	L61 L63 L79 V80 F169	L61-V85 HydrophobicContact CB-CB 4.3Å; L61-V85 HydrophobicContact CB-CG1 4.29Å; L61-V85 HydrophobicContact CB-CG2 3.75Å; L61-V85 HydrophobicContact CD1-CG2 4.03Å; L63-V85 HydrophobicContact CB-CG1 3.94Å; L63-V85 HydrophobicContact CD2-CB 4.38Å; L63-V85 HydrophobicContact CD2-CG1 3.67Å; L63-V85 HydrophobicContact CG-CG1 3.82Å; L79-V85 HydrophobicContact CB-CB 4.15Å; L79-V85 HydrophobicContact CB-CG2 3.62Å; L79-V85 HydrophobicContact CD1-CG2 3.97Å; L79-V85 HydrophobicContact CG-CG2 4.4Å; V80-V85 WeakPolarHBondContact CA-O 3.2Å; V80-V85 HydrophobicContact CG2-CB 4.32Å; V80-V85 HydrophobicContact CG2-CG1 4.47Å; V80-V85 WeakPolarHBondContact CG2-O 3.3Å; V85-F169 HydrophobicContact CG1-CE2 4.05Å; V85-F169 HydrophobicContact CG1-CZ 3.94Å; V85-F169 HydrophobicContact CG2-CD2 4.24Å; V85-F169 HydrophobicContact CG2-CE2 3.73Å; V85-F169 HydrophobicContact CG2-CZ 4.14Å
86	T	96.9	Very high	95	Very high	73 Å²	73	56.3 Å²	56.3	45%	0.448	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.5	173.5	-58	0	0	0	0	111.4	L61 A62 L63 L88	L61-T86 PolarHBondContact O-N 2.76Å; A62-T86 CarbonylContact C-O 3.5Å; A62-T86 WeakPolarHBondContact CA-O 3.34Å; L63-T86 PolarHBondContact N-O 3.47Å; T86-L88 PolarHBondContact O-N 2.76Å
87	C	96.5	Very high	95.1	Very high	60 Å²	60	56.3 Å²	56.3	41%	0.405	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	119	170.8	-168.3	0	0	0	0	111	L63 V80	L63-C87 HydrophobicContact CD1-CB 4.34Å; L63-C87 CarbonylContact O-C 3.49Å; V80-C87 HydrophobicContact CG1-CB 4.28Å; V80-C87 HydrophobicContact CG2-CB 4.17Å
88	L	96.2	Very high	95.2	Very high	22 Å²	22	54.7 Å²	54.7	12%	0.115	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	149.2	175.7	-60.1	177	0	0	0	110.9	A62 L63 W64 T86 A92 F94	A62-L88 HydrophobicContact CB-CD1 3.77Å; A62-L88 HydrophobicContact CB-CD2 4.19Å; A62-L88 HydrophobicContact CB-CG 3.89Å; L63-L88 WeakPolarHBondContact O-CB 3.49Å; L63-L88 PolarHBondContact O-N 2.81Å; W64-L88 HydrophobicContact CD2-CB 4.4Å; W64-L88 HydrophobicContact CD2-CD1 3.94Å; W64-L88 HydrophobicContact CE3-CD1 4.31Å; W64-L88 HydrophobicContact CG-CB 4.2Å; W64-L88 HydrophobicContact CH2-CD1 4.08Å; W64-L88 HydrophobicContact CZ2-CD1 3.63Å; W64-L88 HydrophobicContact CZ3-CD1 4.36Å; T86-L88 PolarHBondContact O-N 2.76Å; L88-A92 HydrophobicContact CB-CB 4.39Å; L88-F94 HydrophobicContact CD1-CB 4.06Å; L88-F94 HydrophobicContact CD1-CD2 3.99Å; L88-F94 HydrophobicContact CD1-CG 4.29Å
89	R	94.2	Very high	95.2	Very high	169 Å²	169	51.5 Å²	51.5	64%	0.638	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-72.5	148.8	168.5	-63.7	-176.3	179.3	89.6	1.5	109.6	W64 G91 A92	W64-R89 PolarHBondContact NE1-O 2.89Å; R89-G91 PolarHBondContact O-N 3.11Å; R89-A92 HydrophobicContact CB-CB 4.45Å; R89-A92 WeakPolarHBondContact O-CB 3.31Å; R89-A92 PolarHBondContact O-N 2.89Å
90	M	92.9	Very high	95	Very high	80 Å²	80	51.9 Å²	51.9	39%	0.394	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	136.5	168.9	-62.6	-59.2	121.1	0	0	109.9	W64 N65 F66 A92 V138	W64-M90 HydrophobicContact CB-CE 3.69Å; W64-M90 HydrophobicContact CG-CE 4.3Å; N65-M90 WeakPolarHBondContact O-CE 3.39Å; F66-M90 HydrophobicContact CE2-SD 4.36Å; F66-M90 HydrophobicContact CZ-SD 4.36Å; M90-A92 PolarHBondContact O-N 2.82Å; M90-V138 HydrophobicContact SD-CG1 4.05Å
91	G	90.5	Very high	94.6	Very high	34 Å²	34	52.4 Å²	52.4	35%	0.351	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	-7.3	-174.8	0	0	0	0	0	116.3	R89 K137	R89-G91 PolarHBondContact O-N 3.11Å; G91-K137 WeakPolarHBondContact CA-O 3.35Å; G91-K137 PolarHBondContact N-O 3.29Å
92	A	93.5	Very high	94.2	Very high	34 Å²	34	48.7 Å²	48.7	28%	0.281	27%	0.268	S	S	.	.			trans	-64.1	139.8	171.5	0	0	0	0	0	110	W64 L88 R89 M90	W64-A92 VanDerWaalsContact CZ2-O 3.29Å; W64-A92 WeakPolarHBondContact CZ2-O 3.28Å; W64-A92 PolarHBondContact NE1-O 2.88Å; L88-A92 HydrophobicContact CB-CB 4.39Å; R89-A92 HydrophobicContact CB-CB 4.45Å; R89-A92 WeakPolarHBondContact O-CB 3.31Å; R89-A92 PolarHBondContact O-N 2.89Å; M90-A92 PolarHBondContact O-N 2.82Å
93	H	92	Very high	93.9	Very high	121 Å²	121	45.1 Å²	45.1	56%	0.56	25%	0.254	S	S	*	.	B	Isolated β-bridge	trans	-83	143	175.5	176.5	-100.1	0	0	0	110.8	S141	H93-S141 PolarHBondContact CD2-OG 3.24Å; H93-S141 PolarHBondContact NE2-OG 2.93Å
94	F	94.8	Very high	93.4	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.009	26%	0.257	C	S	.	.			trans	-126.5	121.6	171.3	-172.5	-103.4	0	0	0	109.1	A62 W64 L88 G96 H118 L120 A121	A62-F94 HydrophobicContact CB-CD2 3.86Å; A62-F94 HydrophobicContact CB-CE2 3.49Å; A62-F94 VanDerWaalsContact CB-CE2 3.49Å; A62-F94 HydrophobicContact CB-CZ 4.16Å; W64-F94 HydrophobicContact CH2-CB 3.44Å; W64-F94 VanDerWaalsContact CH2-CB 3.44Å; W64-F94 HydrophobicContact CH2-CG 4.32Å; W64-F94 HydrophobicContact CZ2-CB 3.78Å; W64-F94 HydrophobicContact CZ3-CB 4.39Å; L88-F94 HydrophobicContact CD1-CB 4.06Å; L88-F94 HydrophobicContact CD1-CD2 3.99Å; L88-F94 HydrophobicContact CD1-CG 4.29Å; F94-G96 VanDerWaalsContact C-N 3.32Å; F94-G96 VanDerWaalsContact CE1-CA 3.4Å; F94-G96 PolarHBondContact O-N 2.74Å; F94-H118 WeakPolarHBondContact CZ-O 3.46Å; F94-L120 VanDerWaalsContact CE1-C 3.49Å; F94-L120 VanDerWaalsContact CZ-C 3.46Å; F94-L120 WeakPolarHBondContact CZ-O 3.47Å; F94-A121 HydrophobicContact CD1-CB 3.4Å; F94-A121 VanDerWaalsContact CD1-CB 3.4Å; F94-A121 HydrophobicContact CD2-CB 4.3Å; F94-A121 HydrophobicContact CE1-CB 3.42Å; F94-A121 VanDerWaalsContact CE1-CB 3.42Å; F94-A121 HydrophobicContact CE2-CB 4.32Å; F94-A121 HydrophobicContact CG-CB 3.86Å; F94-A121 HydrophobicContact CZ-CB 3.9Å
95	G	94.1	Very high	93.1	Very high	20 Å²	20	48.7 Å²	48.7	21%	0.206	27%	0.268	C	S	.	.			trans	-81	-9.6	-175.4	0	0	0	0	0	115	R114	G95-R114 PolarHBondContact O-NH1 3.47Å
96	G	95.8	Very high	92.9	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-86	-163.7	-179	0	0	0	0	0	113.3	F94 H118 G119	F94-G96 VanDerWaalsContact C-N 3.32Å; F94-G96 VanDerWaalsContact CE1-CA 3.4Å; F94-G96 PolarHBondContact O-N 2.74Å; G96-H118 VanDerWaalsContact CA-CB 3.5Å; G96-G119 VanDerWaalsContact CA-O 3.31Å; G96-G119 WeakPolarHBondContact CA-O 3.05Å
97	I	97.1	Very high	92.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	134.2	176.3	-61.9	-60.2	0	0	0	109.5	L99 L107 D111 R114 V115 G119 L120 A121 H142 R144	I97-L99 HydrophobicContact CG2-CD2 4.41Å; I97-L107 HydrophobicContact CG2-CD2 4.08Å; I97-D111 HydrophobicContact CD1-CB 3.7Å; I97-D111 HydrophobicContact CG1-CB 3.86Å; I97-R114 HydrophobicContact CD1-CG 4.24Å; I97-R114 HydrophobicContact CG1-CG 4.32Å; I97-V115 HydrophobicContact CB-CG2 4.09Å; I97-V115 HydrophobicContact CG1-CG2 3.64Å; I97-G119 PolarHBondContact N-O 3.34Å; I97-G119 VanDerWaalsContact N-O 3.11Å; I97-L120 HydrophobicContact CB-CD2 3.91Å; I97-L120 HydrophobicContact CG2-CD2 4.08Å; I97-L120 CarbonylContact O-C 3.49Å; I97-L120 WeakPolarHBondContact O-CA 3.21Å; I97-A121 PolarHBondContact O-N 3.38Å; I97-H142 HydrophobicContact CD1-CB 3.78Å; I97-R144 HydrophobicContact CG2-CB 4.04Å; I97-R144 HydrophobicContact CG2-CG 3.54Å
98	T	97.1	Very high	92.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.9	176.5	-57.5	0	0	0	0	110.1	W64 A121 V123 I140 H142 G143 R144	W64-T98 HydrophobicContact CE3-CG2 4.44Å; W64-T98 HydrophobicContact CZ3-CG2 3.68Å; T98-A121 CarbonylContact C-O 3.51Å; T98-A121 WeakPolarHBondContact CA-O 3.27Å; T98-A121 HydrophobicContact CG2-CB 4.48Å; T98-V123 HydrophobicContact CG2-CG2 4.2Å; T98-I140 HydrophobicContact CG2-CD1 4.17Å; T98-I140 HydrophobicContact CG2-CG1 4.14Å; T98-I140 HydrophobicContact CG2-CG2 4.07Å; T98-H142 PolarHBondContact N-O 3.09Å; T98-G143 CarbonylContact O-C 3.47Å; T98-G143 VanDerWaalsContact O-CA 3.31Å; T98-G143 WeakPolarHBondContact O-CA 3.37Å; T98-R144 PolarHBondContact O-N 3.42Å
99	L	96.5	Very high	92.4	Very high	10 Å²	10	46.3 Å²	46.3	5%	0.052	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121.6	169.1	-43.4	176.1	0	0	0	108	I97 L107 A121 V122 V123 R144 L146 A168 A172	I97-L99 HydrophobicContact CG2-CD2 4.41Å; L99-L107 HydrophobicContact CD2-CD2 3.63Å; L99-L107 HydrophobicContact CD2-CG 4.38Å; L99-A121 PolarHBondContact N-O 3.15Å; L99-V122 HydrophobicContact CB-CG1 4.08Å; L99-V122 HydrophobicContact CD1-CG1 3.95Å; L99-V122 HydrophobicContact CG-CG1 4.26Å; L99-V123 PolarHBondContact O-N 3.46Å; L99-R144 WeakPolarHBondContact CA-O 3.45Å; L99-R144 HydrophobicContact CD2-CB 4.48Å; L99-L146 HydrophobicContact CD1-CD1 4.23Å; L99-L146 HydrophobicContact CD1-CG 4.44Å; L99-L146 HydrophobicContact CD2-CG 4.46Å; L99-A168 HydrophobicContact CD1-CB 4.08Å; L99-A168 WeakPolarHBondContact CD1-O 3.19Å; L99-A172 HydrophobicContact CD1-CB 3.76Å; L99-A172 HydrophobicContact CD2-CB 4.22Å
100	T	92.9	Very high	92.4	Very high	8 Å²	8	43.5 Å²	43.5	5%	0.049	24%	0.242	C	C	.	.			trans	-147.6	139.7	-178.3	174.5	0	0	0	0	110	T102 G103 I140 R144 L145	T100-T102 PolarHBondContact O-N 3.12Å; T100-T102 VanDerWaalsContact O-N 3.15Å; T100-T102 PolarHBondContact OG1-N 3.09Å; T100-T102 PolarHBondContact OG1-OG1 2.99Å; T100-G103 PolarHBondContact O-N 3.2Å; T100-I140 HydrophobicContact CG2-CD1 3.9Å; T100-I140 HydrophobicContact CG2-CG2 4.37Å; T100-R144 PolarHBondContact N-O 3.45Å; T100-R144 VanDerWaalsContact N-O 3.08Å; T100-L145 WeakPolarHBondContact O-CD2 3.49Å
101	P	87.4	Confident	92.5	Very high	48 Å²	48	40.3 Å²	40.3	31%	0.312	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.4	173.9	27.3	-35.7	0	0	0	112.5	G103 W127 L130 F135	P101-G103 VanDerWaalsContact C-N 3.28Å; P101-W127 HydrophobicContact CB-CH2 4.34Å; P101-W127 HydrophobicContact CB-CZ3 4.16Å; P101-L130 HydrophobicContact CB-CD1 4.35Å; P101-L130 HydrophobicContact CB-CD2 4.22Å; P101-L130 HydrophobicContact CG-CD2 3.71Å; P101-F135 HydrophobicContact CG-CE1 4.09Å; P101-F135 HydrophobicContact CG-CZ 3.83Å
102	T	87.4	Confident	92.7	Very high	68 Å²	68	43.6 Å²	43.6	42%	0.417	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	5.3	175.4	67.7	0	0	0	0	113.7	T100 F135	T100-T102 PolarHBondContact O-N 3.12Å; T100-T102 VanDerWaalsContact O-N 3.15Å; T100-T102 PolarHBondContact OG1-N 3.09Å; T100-T102 PolarHBondContact OG1-OG1 2.99Å; T102-F135 HydrophobicContact CG2-CB 4.27Å; T102-F135 HydrophobicContact CG2-CD1 3.91Å; T102-F135 HydrophobicContact CG2-CD2 3.42Å; T102-F135 VanDerWaalsContact CG2-CD2 3.42Å; T102-F135 HydrophobicContact CG2-CE1 4.06Å; T102-F135 HydrophobicContact CG2-CE2 3.55Å; T102-F135 HydrophobicContact CG2-CG 3.6Å; T102-F135 HydrophobicContact CG2-CZ 3.9Å
103	G	87.5	Confident	92.8	Very high	11 Å²	11	49.7 Å²	49.7	11%	0.113	25%	0.254	C	S	.	.			trans	-63.1	145.9	177.3	0	0	0	0	0	110.5	T100 P101 L145	T100-G103 PolarHBondContact O-N 3.2Å; P101-G103 VanDerWaalsContact C-N 3.28Å; G103-L145 WeakPolarHBondContact O-CD1 3.41Å; G103-L145 VanDerWaalsContact O-CG 3.31Å; G103-L145 WeakPolarHBondContact O-CG 3.31Å
104	K	84.5	Confident	93	Very high	202 Å²	202	48.1 Å²	48.1	88%	0.878	24%	0.243	S	C	*	.	S	Bend	trans	-104.3	-14	176.4	-63.6	-173.4	179	-175.6	0	113.4
105	C	90.4	Very high	93.1	Very high	56 Å²	56	48 Å²	48	38%	0.378	24%	0.243	S	C	.	.	S	Bend	trans	-122.9	137.7	-178.5	-59.5	0	0	0	0	109.3	R144 L145	C105-R144 CarbonylContact O-C 3.54Å; C105-R144 VanDerWaalsContact O-CA 3.26Å; C105-R144 WeakPolarHBondContact O-CA 3.32Å; C105-L145 PolarHBondContact O-N 3.16Å
106	C	92.4	Very high	93.2	Very high	11 Å²	11	50.8 Å²	50.8	7%	0.074	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-61.3	158.8	167.5	-170.5	0	0	0	0	110.6	K108 R144 L145 L216	C106-K108 WeakPolarHBondContact O-CG 3.08Å; C106-K108 PolarHBondContact O-N 2.96Å; C106-R144 WeakPolarHBondContact O-CD 3.28Å; C106-L145 CarbonylContact C-O 3.5Å; C106-L145 WeakPolarHBondContact CA-O 3.06Å; C106-L216 HydrophobicContact CB-CD2 4.09Å
107	L	93.3	Very high	93.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.289	C	S	.	.			trans	-47.5	136	167.5	-73	-178.8	0	0	0	110.7	I97 L99 R144 L145 L146 A172 I175 Y176	I97-L107 HydrophobicContact CG2-CD2 4.08Å; L99-L107 HydrophobicContact CD2-CD2 3.63Å; L99-L107 HydrophobicContact CD2-CG 4.38Å; L107-R144 HydrophobicContact CD2-CB 3.57Å; L107-R144 HydrophobicContact CD2-CG 3.93Å; L107-R144 HydrophobicContact CG-CB 4.32Å; L107-L145 PolarHBondContact N-O 3.3Å; L107-L146 HydrophobicContact CD1-CD2 3.5Å; L107-L146 VanDerWaalsContact CD1-CD2 3.5Å; L107-L146 HydrophobicContact CG-CD2 4.33Å; L107-A172 HydrophobicContact CD1-CB 4.11Å; L107-I175 HydrophobicContact CD1-CD1 4.11Å; L107-Y176 HydrophobicContact CD1-CE2 4.28Å; L107-Y176 HydrophobicContact CD2-CE2 4.08Å; L107-Y176 VanDerWaalsContact CD2-OH 3.3Å; L107-Y176 WeakPolarHBondContact CD2-OH 3.31Å
108	K	93.6	Very high	93.2	Very high	68 Å²	68	61.8 Å²	61.8	30%	0.296	30%	0.304	S	S	.	.			trans	-109.1	134	179.6	-45.9	-169	172.1	-173.9	0	109	C106 E110 D111 Y176 V212	C106-K108 WeakPolarHBondContact O-CG 3.08Å; C106-K108 PolarHBondContact O-N 2.96Å; K108-E110 WeakPolarHBondContact CB-OE2 3.41Å; K108-E110 PolarHBondContact O-N 3.35Å; K108-D111 VanDerWaalsContact CB-OD2 3.3Å; K108-D111 WeakPolarHBondContact CB-OD2 3.35Å; K108-D111 WeakPolarHBondContact CG-OD2 3.26Å; K108-D111 PolarHBondContact N-OD2 3.45Å; K108-D111 VanDerWaalsContact N-OD2 3.09Å; K108-D111 VanDerWaalsContact O-CB 3.25Å; K108-D111 WeakPolarHBondContact O-CB 3.41Å; K108-D111 PolarHBondContact O-N 3.02Å; K108-Y176 WeakPolarHBondContact O-CE1 3.38Å; K108-Y176 PolarHBondContact O-OH 3.45Å; K108-Y176 VanDerWaalsContact O-OH 3.12Å; K108-V212 HydrophobicContact CB-CG2 3.64Å; K108-V212 HydrophobicContact CD-CG2 3.78Å; K108-V212 HydrophobicContact CG-CG2 3.5Å
109	P	93.4	Very high	93.2	Very high	30 Å²	30	61.8 Å²	61.8	20%	0.195	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-54.7	-33.1	173.4	-28.9	38.6	0	0	0	112.7	D111 K112 C209 M215	P109-D111 PolarHBondContact O-N 2.99Å; P109-K112 WeakPolarHBondContact O-CB 3.42Å; P109-K112 PolarHBondContact O-N 2.93Å; P109-C209 WeakPolarHBondContact CG-O 3.5Å; P109-M215 HydrophobicContact CG-CE 4.48Å
110	E	93.5	Very high	93.2	Very high	111 Å²	111	61.3 Å²	61.3	52%	0.519	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-66	-19.3	177.8	-53.1	87.8	164	0	0	113.1	K108 K112	K108-E110 WeakPolarHBondContact CB-OE2 3.41Å; K108-E110 PolarHBondContact O-N 3.35Å; E110-K112 PolarHBondContact O-N 3.26Å
111	D	95	Very high	93.5	Very high	13 Å²	13	61 Å²	61	7%	0.07	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-70.2	-10.2	177.2	-67.2	-41.3	0	0	0	112.6	I97 K108 P109 E113 R114 V115 R144 Y176	I97-D111 HydrophobicContact CD1-CB 3.7Å; I97-D111 HydrophobicContact CG1-CB 3.86Å; K108-D111 VanDerWaalsContact CB-OD2 3.3Å; K108-D111 WeakPolarHBondContact CB-OD2 3.35Å; K108-D111 WeakPolarHBondContact CG-OD2 3.26Å; K108-D111 PolarHBondContact N-OD2 3.45Å; K108-D111 VanDerWaalsContact N-OD2 3.09Å; K108-D111 VanDerWaalsContact O-CB 3.25Å; K108-D111 WeakPolarHBondContact O-CB 3.41Å; K108-D111 PolarHBondContact O-N 3.02Å; P109-D111 PolarHBondContact O-N 2.99Å; D111-E113 VanDerWaalsContact C-N 3.31Å; D111-E113 PolarHBondContact O-N 3.48Å; D111-R114 WeakPolarHBondContact O-CB 3.49Å; D111-R114 PolarHBondContact O-N 3.22Å; D111-V115 WeakPolarHBondContact O-CG2 3.3Å; D111-V115 PolarHBondContact O-N 3.13Å; D111-R144 IonicContact OD1-CZ 3.53Å; D111-R144 IonicContact OD1-NE 3.47Å; D111-R144 PolarHBondContact OD1-NE 3.27Å; D111-R144 IonicContact OD1-NH2 2.75Å; D111-R144 PolarHBondContact OD1-NH2 3.45Å; D111-R144 IonicContact OD2-CZ 3.58Å; D111-R144 IonicContact OD2-NE 2.74Å; D111-R144 PolarHBondContact OD2-NE 3.45Å; D111-R144 IonicContact OD2-NH2 3.57Å; D111-Y176 HydrophobicContact CB-CE1 4.15Å; D111-Y176 VanDerWaalsContact CB-OH 3.3Å; D111-Y176 WeakPolarHBondContact CB-OH 3.01Å
112	K	95.3	Very high	93.9	Very high	102 Å²	102	58.9 Å²	58.9	44%	0.443	29%	0.286	S	S	.	.	H	α-helix	trans	-53.8	-44	-175.9	-174.7	173.3	178.8	172.3	0	112.8	P109 E110 R114 V115 V116 Y176	P109-K112 WeakPolarHBondContact O-CB 3.42Å; P109-K112 PolarHBondContact O-N 2.93Å; E110-K112 PolarHBondContact O-N 3.26Å; K112-R114 VanDerWaalsContact C-N 3.28Å; K112-R114 PolarHBondContact O-N 3.04Å; K112-V115 WeakPolarHBondContact O-CB 3.2Å; K112-V115 PolarHBondContact O-N 3.32Å; K112-V115 VanDerWaalsContact O-N 3.16Å; K112-V116 HydrophobicContact CG-CG2 4.47Å; K112-V116 VanDerWaalsContact O-CG2 3.27Å; K112-V116 WeakPolarHBondContact O-CG2 3.16Å; K112-V116 PolarHBondContact O-N 3.23Å; K112-Y176 HydrophobicContact CB-CD1 3.81Å; K112-Y176 HydrophobicContact CB-CE1 4.28Å; K112-Y176 WeakPolarHBondContact CE-O 3.48Å; K112-Y176 HydrophobicContact CG-CD1 4.22Å; K112-Y176 PolarHBondContact NZ-O 3.2Å
113	E	95	Very high	94.3	Very high	163 Å²	163	56 Å²	56	76%	0.762	27%	0.268	S	S	*	.	H	α-helix	trans	-60.1	-40.2	178.6	-65	-177.8	-180	0	0	112	D111 V116 K117	D111-E113 VanDerWaalsContact C-N 3.31Å; D111-E113 PolarHBondContact O-N 3.48Å; E113-V116 PolarHBondContact O-N 3.01Å; E113-K117 WeakPolarHBondContact O-CB 3.3Å; E113-K117 PolarHBondContact O-N 3.39Å
114	R	96	Very high	94.6	Very high	87 Å²	87	55.8 Å²	55.8	33%	0.328	27%	0.265	S	S	.	.	H	α-helix	trans	-69.6	-37.7	177.1	-179.4	171.6	-65.1	-90.2	3.6	111.6	G95 I97 D111 K112 K117 H118 H142	G95-R114 PolarHBondContact O-NH1 3.47Å; I97-R114 HydrophobicContact CD1-CG 4.24Å; I97-R114 HydrophobicContact CG1-CG 4.32Å; D111-R114 WeakPolarHBondContact O-CB 3.49Å; D111-R114 PolarHBondContact O-N 3.22Å; K112-R114 VanDerWaalsContact C-N 3.28Å; K112-R114 PolarHBondContact O-N 3.04Å; R114-K117 PolarHBondContact O-N 3.22Å; R114-H118 WeakPolarHBondContact O-CB 3.25Å; R114-H118 PolarHBondContact O-N 3.16Å; R114-H142 PolarHBondContact NH1-CD2 2.86Å; R114-H142 PolarHBondContact NH1-NE2 3.2Å; R114-H142 PolarHBondContact NH2-NE2 2.98Å
115	V	96.8	Very high	94.9	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-46	175.2	169.7	0	0	0	0	110.8	V59 I97 D111 K112 G119 L120 Y176 F178	V59-V115 HydrophobicContact CG1-CG1 3.66Å; V59-V115 HydrophobicContact CG2-CG1 3.98Å; I97-V115 HydrophobicContact CB-CG2 4.09Å; I97-V115 HydrophobicContact CG1-CG2 3.64Å; D111-V115 WeakPolarHBondContact O-CG2 3.3Å; D111-V115 PolarHBondContact O-N 3.13Å; K112-V115 WeakPolarHBondContact O-CB 3.2Å; K112-V115 PolarHBondContact O-N 3.32Å; K112-V115 VanDerWaalsContact O-N 3.16Å; V115-G119 WeakPolarHBondContact O-CA 3.35Å; V115-G119 PolarHBondContact O-N 3.38Å; V115-L120 HydrophobicContact CG1-CD1 4.03Å; V115-L120 HydrophobicContact CG1-CD2 4.45Å; V115-L120 HydrophobicContact CG1-CG 3.89Å; V115-L120 HydrophobicContact CG2-CD2 3.85Å; V115-L120 HydrophobicContact CG2-CG 4.16Å; V115-Y176 HydrophobicContact CB-CD2 4.38Å; V115-Y176 HydrophobicContact CG1-CD2 4.16Å; V115-Y176 HydrophobicContact CG2-CD2 3.85Å; V115-Y176 HydrophobicContact CG2-CE2 3.67Å; V115-Y176 HydrophobicContact CG2-CG 4.43Å; V115-F178 HydrophobicContact CG1-CE2 4.26Å
116	V	96.2	Very high	94.9	Very high	78 Å²	78	45.1 Å²	45.1	47%	0.473	22%	0.216	S	C	.	.	H	α-helix	trans	-59.3	-50.5	175.3	175.8	0	0	0	0	110.5	K112 E113 F178	K112-V116 HydrophobicContact CG-CG2 4.47Å; K112-V116 VanDerWaalsContact O-CG2 3.27Å; K112-V116 WeakPolarHBondContact O-CG2 3.16Å; K112-V116 PolarHBondContact O-N 3.23Å; E113-V116 PolarHBondContact O-N 3.01Å; V116-F178 HydrophobicContact CG2-CE2 4.44Å; V116-F178 HydrophobicContact CG2-CZ 3.82Å
117	K	96	Very high	94.8	Very high	162 Å²	162	49 Å²	49	70%	0.704	23%	0.229	S	C	*	.	H	α-helix	trans	-74.5	-36.5	-172.5	-172.1	176.6	179.8	173.1	0	114.4	E113 R114	E113-K117 WeakPolarHBondContact O-CB 3.3Å; E113-K117 PolarHBondContact O-N 3.39Å; R114-K117 PolarHBondContact O-N 3.22Å
118	H	96.3	Very high	94.6	Very high	69 Å²	69	56.5 Å²	56.5	32%	0.319	26%	0.264	S	S	.	.	H	α-helix	trans	-125.7	-17.5	-168	-63.8	-52.2	0	0	0	114.4	F94 G96 R114	F94-H118 WeakPolarHBondContact CZ-O 3.46Å; G96-H118 VanDerWaalsContact CA-CB 3.5Å; R114-H118 WeakPolarHBondContact O-CB 3.25Å; R114-H118 PolarHBondContact O-N 3.16Å
119	G	97.2	Very high	94.3	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.01	27%	0.266	C	S	.	.			trans	97.4	-173.6	176	0	0	0	0	0	115.5	R60 G96 I97 V115	R60-G119 CarbonylContact O-C 3.49Å; R60-G119 WeakPolarHBondContact O-CA 3.46Å; G96-G119 VanDerWaalsContact CA-O 3.31Å; G96-G119 WeakPolarHBondContact CA-O 3.05Å; I97-G119 PolarHBondContact N-O 3.34Å; I97-G119 VanDerWaalsContact N-O 3.11Å; V115-G119 WeakPolarHBondContact O-CA 3.35Å; V115-G119 PolarHBondContact O-N 3.38Å
120	L	97.9	Very high	94.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	143.2	174.3	-74.8	162.7	0	0	0	110.6	V59 R60 L61 A62 F94 I97 V115 F169 A172 L173 Y176	V59-L120 HydrophobicContact CG1-CB 4.48Å; V59-L120 HydrophobicContact CG1-CD1 4.18Å; V59-L120 HydrophobicContact CG1-CG 4.23Å; R60-L120 PolarHBondContact O-N 3.42Å; L61-L120 CarbonylContact C-O 3.49Å; L61-L120 WeakPolarHBondContact CA-O 3.49Å; L61-L120 HydrophobicContact CD2-CB 3.93Å; L61-L120 HydrophobicContact CD2-CD1 4.4Å; A62-L120 PolarHBondContact N-O 3.5Å; F94-L120 VanDerWaalsContact CE1-C 3.49Å; F94-L120 VanDerWaalsContact CZ-C 3.46Å; F94-L120 WeakPolarHBondContact CZ-O 3.47Å; I97-L120 HydrophobicContact CB-CD2 3.91Å; I97-L120 HydrophobicContact CG2-CD2 4.08Å; I97-L120 CarbonylContact O-C 3.49Å; I97-L120 WeakPolarHBondContact O-CA 3.21Å; V115-L120 HydrophobicContact CG1-CD1 4.03Å; V115-L120 HydrophobicContact CG1-CD2 4.45Å; V115-L120 HydrophobicContact CG1-CG 3.89Å; V115-L120 HydrophobicContact CG2-CD2 3.85Å; V115-L120 HydrophobicContact CG2-CG 4.16Å; L120-F169 HydrophobicContact CB-CD1 4.25Å; L120-F169 HydrophobicContact CB-CE1 4.21Å; L120-A172 HydrophobicContact CD1-CB 3.84Å; L120-A172 HydrophobicContact CD2-CB 4.11Å; L120-L173 HydrophobicContact CD1-CD2 3.94Å; L120-L173 HydrophobicContact CD1-CG 4.11Å; L120-Y176 HydrophobicContact CD2-CE2 4.37Å
121	A	97.8	Very high	93.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	155.3	170.7	0	0	0	0	0	112.8	A62 W64 F94 I97 T98 L99	A62-A121 HydrophobicContact CB-CB 4.25Å; A62-A121 CarbonylContact O-C 3.59Å; A62-A121 WeakPolarHBondContact O-CA 3.02Å; A62-A121 WeakPolarHBondContact O-CB 3.29Å; W64-A121 HydrophobicContact CE3-CB 4.39Å; W64-A121 HydrophobicContact CH2-CB 4.4Å; W64-A121 HydrophobicContact CZ3-CB 3.74Å; F94-A121 HydrophobicContact CD1-CB 3.4Å; F94-A121 VanDerWaalsContact CD1-CB 3.4Å; F94-A121 HydrophobicContact CD2-CB 4.3Å; F94-A121 HydrophobicContact CE1-CB 3.42Å; F94-A121 VanDerWaalsContact CE1-CB 3.42Å; F94-A121 HydrophobicContact CE2-CB 4.32Å; F94-A121 HydrophobicContact CG-CB 3.86Å; F94-A121 HydrophobicContact CZ-CB 3.9Å; I97-A121 PolarHBondContact O-N 3.38Å; T98-A121 CarbonylContact C-O 3.51Å; T98-A121 WeakPolarHBondContact CA-O 3.27Å; T98-A121 HydrophobicContact CG2-CB 4.48Å; L99-A121 PolarHBondContact N-O 3.15Å
122	V	96.9	Very high	93.6	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.024	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	155	171.4	-57.8	0	0	0	0	111.2	A62 L63 W64 L99 C165 A168 F169	A62-V122 PolarHBondContact O-N 3.44Å; L63-V122 VanDerWaalsContact CA-O 3.31Å; L63-V122 WeakPolarHBondContact CA-O 3.36Å; L63-V122 HydrophobicContact CB-CG2 3.72Å; W64-V122 PolarHBondContact N-O 3.11Å; L99-V122 HydrophobicContact CB-CG1 4.08Å; L99-V122 HydrophobicContact CD1-CG1 3.95Å; L99-V122 HydrophobicContact CG-CG1 4.26Å; V122-C165 HydrophobicContact CG2-CB 4.11Å; V122-A168 HydrophobicContact CG1-CB 4.42Å; V122-F169 HydrophobicContact CB-CE1 4.48Å; V122-F169 HydrophobicContact CB-CE2 4.26Å; V122-F169 HydrophobicContact CB-CZ 4.07Å; V122-F169 HydrophobicContact CG1-CD1 3.85Å; V122-F169 HydrophobicContact CG1-CD2 4.07Å; V122-F169 HydrophobicContact CG1-CE1 3.63Å; V122-F169 HydrophobicContact CG1-CE2 3.84Å; V122-F169 HydrophobicContact CG1-CG 4.08Å; V122-F169 HydrophobicContact CG1-CZ 3.63Å; V122-F169 HydrophobicContact CG2-CD2 4.24Å; V122-F169 HydrophobicContact CG2-CE1 4.33Å; V122-F169 HydrophobicContact CG2-CE2 3.39Å; V122-F169 HydrophobicContact CG2-CZ 3.47Å; V122-F169 VanDerWaalsContact CG2-CZ 3.47Å
123	V	94.9	Very high	93.2	Very high	8 Å²	8	62.1 Å²	62.1	5%	0.048	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	108.4	168	-178.3	0	0	0	0	109	W64 F66 T98 L99 C125 F135 V138 I140	W64-V123 HydrophobicContact CE3-CG2 4.2Å; F66-V123 HydrophobicContact CD2-CG1 3.69Å; F66-V123 HydrophobicContact CE2-CG1 3.46Å; F66-V123 VanDerWaalsContact CE2-CG1 3.46Å; T98-V123 HydrophobicContact CG2-CG2 4.2Å; L99-V123 PolarHBondContact O-N 3.46Å; V123-C125 PolarHBondContact O-N 3.4Å; V123-F135 HydrophobicContact CB-CE1 4.46Å; V123-F135 HydrophobicContact CG1-CD1 4.05Å; V123-F135 HydrophobicContact CG1-CE1 3.78Å; V123-V138 HydrophobicContact CG2-CG2 4.25Å; V123-I140 HydrophobicContact CG2-CD1 4Å
124	D	93.9	Very high	92.9	Very high	6 Å²	6	59.2 Å²	59.2	3%	0.032	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	104.3	178.7	-176.5	39.8	0	0	0	109.8	L63 W64 N65 F66 C74 C165	L63-D124 HydrophobicContact CD1-CB 4.39Å; W64-D124 PolarHBondContact O-N 3.32Å; N65-D124 HydrophobicContact CB-CB 4.49Å; N65-D124 PolarHBondContact OD1-OD2 3.02Å; F66-D124 PolarHBondContact N-O 3.02Å; C74-D124 VanDerWaalsContact SG-CG 3.56Å; C74-D124 PolarHBondContact SG-OD1 3.29Å; C74-D124 VanDerWaalsContact SG-OD1 3.39Å; C74-D124 PolarHBondContact SG-OD2 3.33Å; D124-C165 PolarHBondContact OD1-SG 2.93Å
125	C	91.6	Very high	92.5	Very high	18 Å²	18	56.7 Å²	56.7	12%	0.122	28%	0.275	C	S	.	.			trans	-144.6	162.9	-177.4	58.1	0	0	0	0	110.1	Q68 V123 T133	Q68-C125 VanDerWaalsContact OE1-CA 3.24Å; V123-C125 PolarHBondContact O-N 3.4Å; C125-T133 HydrophobicContact CB-CG2 4.03Å
126	S	90.9	Very high	92.2	Very high	17 Å²	17	62.2 Å²	62.2	12%	0.119	31%	0.313	C	S	.	.			trans	-82.7	133	176.7	177.2	0	0	0	0	110.5	H128 Q129 L130	S126-H128 PolarHBondContact O-N 3.44Å; S126-H128 VanDerWaalsContact O-N 3.13Å; S126-H128 PolarHBondContact OG-N 2.87Å; S126-Q129 PolarHBondContact O-N 2.84Å; S126-L130 PolarHBondContact O-N 3.03Å
127	W	89.1	Confident	91.8	Very high	92 Å²	92	63.6 Å²	63.6	35%	0.348	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-56.4	-26.2	171.1	-74.4	110.4	0	0	0	112.9	P101 L130 C161 L163	P101-W127 HydrophobicContact CB-CH2 4.34Å; P101-W127 HydrophobicContact CB-CZ3 4.16Å; W127-L130 HydrophobicContact CE3-CD1 3.64Å; W127-L130 HydrophobicContact CE3-CG 4.37Å; W127-L130 HydrophobicContact CZ3-CD1 3.88Å; W127-C161 WeakPolarHBondContact CH2-O 3.36Å; W127-C161 WeakPolarHBondContact CZ2-O 3.46Å; W127-L163 PolarHBondContact NE1-O 3.18Å
128	H	89.8	Confident	91.6	Very high	157 Å²	157	56.4 Å²	56.4	73%	0.727	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-80.7	-17.1	178.8	-61.7	-67	0	0	0	114.1	S126	S126-H128 PolarHBondContact O-N 3.44Å; S126-H128 VanDerWaalsContact O-N 3.13Å; S126-H128 PolarHBondContact OG-N 2.87Å
129	Q	88	Confident	91.2	Very high	72 Å²	72	59.4 Å²	59.4	34%	0.336	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-119	22.2	-174	-66	177	18.2	0	0	112	S126 N131 E132 T133	S126-Q129 PolarHBondContact O-N 2.84Å; Q129-N131 VanDerWaalsContact C-N 3.29Å; Q129-N131 PolarHBondContact O-N 3.4Å; Q129-E132 PolarHBondContact O-N 3.34Å; Q129-E132 VanDerWaalsContact O-N 3.13Å; Q129-T133 WeakPolarHBondContact O-CB 3.49Å; Q129-T133 PolarHBondContact O-N 3.5Å; Q129-T133 PolarHBondContact O-OG1 3.11Å
130	L	88.3	Confident	90.9	Very high	45 Å²	45	61.8 Å²	61.8	24%	0.236	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-43.8	-178.2	-69.9	-177	0	0	0	112.3	P101 S126 W127 E132 T133 F135	P101-L130 HydrophobicContact CB-CD1 4.35Å; P101-L130 HydrophobicContact CB-CD2 4.22Å; P101-L130 HydrophobicContact CG-CD2 3.71Å; S126-L130 PolarHBondContact O-N 3.03Å; W127-L130 HydrophobicContact CE3-CD1 3.64Å; W127-L130 HydrophobicContact CE3-CG 4.37Å; W127-L130 HydrophobicContact CZ3-CD1 3.88Å; L130-E132 VanDerWaalsContact C-N 3.27Å; L130-E132 PolarHBondContact O-N 3.06Å; L130-T133 WeakPolarHBondContact O-CB 3.49Å; L130-T133 PolarHBondContact O-N 3Å; L130-F135 HydrophobicContact CD2-CZ 3.95Å; L130-F135 WeakPolarHBondContact O-CE2 3.38Å
131	N	87.8	Confident	90.4	Very high	171 Å²	171	64.6 Å²	64.6	91%	0.914	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.2	-178.9	-63	-24.8	0	0	0	112.9	Q129	Q129-N131 VanDerWaalsContact C-N 3.29Å; Q129-N131 PolarHBondContact O-N 3.4Å
132	E	89	Confident	90.1	Very high	146 Å²	146	67 Å²	67	68%	0.682	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-15.9	179.2	-64.1	172.1	-160.2	0	0	112.4	Q129 L130 Q134	Q129-E132 PolarHBondContact O-N 3.34Å; Q129-E132 VanDerWaalsContact O-N 3.13Å; L130-E132 VanDerWaalsContact C-N 3.27Å; L130-E132 PolarHBondContact O-N 3.06Å; E132-Q134 PolarHBondContact O-N 2.98Å
133	T	87.7	Confident	90	Very high	9 Å²	9	67.7 Å²	67.7	6%	0.055	34%	0.344	C	S	.	.			trans	-69.6	120.3	-176	-61.1	0	0	0	0	109.9	F66 Q68 C125 Q129 L130 F135	F66-T133 HydrophobicContact CD1-CG2 3.82Å; F66-T133 HydrophobicContact CD2-CG2 4.18Å; F66-T133 HydrophobicContact CE1-CG2 3.86Å; F66-T133 HydrophobicContact CE2-CG2 4.24Å; F66-T133 HydrophobicContact CG-CG2 3.97Å; F66-T133 HydrophobicContact CZ-CG2 4.08Å; Q68-T133 PolarHBondContact NE2-OG1 3.21Å; Q68-T133 PolarHBondContact OE1-OG1 3.24Å; C125-T133 HydrophobicContact CB-CG2 4.03Å; Q129-T133 WeakPolarHBondContact O-CB 3.49Å; Q129-T133 PolarHBondContact O-N 3.5Å; Q129-T133 PolarHBondContact O-OG1 3.11Å; L130-T133 WeakPolarHBondContact O-CB 3.49Å; L130-T133 PolarHBondContact O-N 3Å; T133-F135 HydrophobicContact CG2-CD1 4.01Å; T133-F135 HydrophobicContact CG2-CD2 4.01Å; T133-F135 HydrophobicContact CG2-CE1 3.75Å; T133-F135 HydrophobicContact CG2-CE2 3.77Å; T133-F135 HydrophobicContact CG2-CG 4.13Å; T133-F135 HydrophobicContact CG2-CZ 3.61Å; T133-F135 WeakPolarHBondContact O-CD2 3.21Å; T133-F135 PolarHBondContact O-N 3.36Å
134	Q	88.9	Confident	90.1	Very high	101 Å²	101	68.7 Å²	68.7	47%	0.472	35%	0.347	S	S	.	.			trans	-77.2	66.8	-179.6	-65.8	178.3	-28.2	0	0	111.5	F66 E132 C136 K137	F66-Q134 HydrophobicContact CE1-CB 4.36Å; F66-Q134 WeakPolarHBondContact CE1-O 3.47Å; F66-Q134 WeakPolarHBondContact CZ-O 3.45Å; E132-Q134 PolarHBondContact O-N 2.98Å; Q134-C136 PolarHBondContact O-N 3.37Å; Q134-K137 HydrophobicContact CB-CD 4.04Å; Q134-K137 HydrophobicContact CB-CG 4.17Å; Q134-K137 WeakPolarHBondContact O-CB 3.3Å; Q134-K137 PolarHBondContact O-N 3.25Å
135	F	88.6	Confident	90.1	Very high	34 Å²	34	71.5 Å²	71.5	15%	0.149	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-56.2	-21	178.8	-67.6	-74.8	0	0	0	113.1	P101 T102 V123 L130 T133 K137 V138	P101-F135 HydrophobicContact CG-CE1 4.09Å; P101-F135 HydrophobicContact CG-CZ 3.83Å; T102-F135 HydrophobicContact CG2-CB 4.27Å; T102-F135 HydrophobicContact CG2-CD1 3.91Å; T102-F135 HydrophobicContact CG2-CD2 3.42Å; T102-F135 VanDerWaalsContact CG2-CD2 3.42Å; T102-F135 HydrophobicContact CG2-CE1 4.06Å; T102-F135 HydrophobicContact CG2-CE2 3.55Å; T102-F135 HydrophobicContact CG2-CG 3.6Å; T102-F135 HydrophobicContact CG2-CZ 3.9Å; V123-F135 HydrophobicContact CB-CE1 4.46Å; V123-F135 HydrophobicContact CG1-CD1 4.05Å; V123-F135 HydrophobicContact CG1-CE1 3.78Å; L130-F135 HydrophobicContact CD2-CZ 3.95Å; L130-F135 WeakPolarHBondContact O-CE2 3.38Å; T133-F135 HydrophobicContact CG2-CD1 4.01Å; T133-F135 HydrophobicContact CG2-CD2 4.01Å; T133-F135 HydrophobicContact CG2-CE1 3.75Å; T133-F135 HydrophobicContact CG2-CE2 3.77Å; T133-F135 HydrophobicContact CG2-CG 4.13Å; T133-F135 HydrophobicContact CG2-CZ 3.61Å; T133-F135 WeakPolarHBondContact O-CD2 3.21Å; T133-F135 PolarHBondContact O-N 3.36Å; F135-K137 PolarHBondContact O-N 3.19Å; F135-K137 VanDerWaalsContact O-N 3.15Å; F135-V138 WeakPolarHBondContact O-CG2 3.39Å; F135-V138 PolarHBondContact O-N 3.31Å; F135-V138 VanDerWaalsContact O-N 3.13Å
136	C	88.6	Confident	90.3	Very high	117 Å²	117	72.2 Å²	72.2	79%	0.791	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-59.8	-20.4	171.2	61.2	0	0	0	0	114.2	Q134 V138	Q134-C136 PolarHBondContact O-N 3.37Å; C136-V138 VanDerWaalsContact C-N 3.29Å; C136-V138 PolarHBondContact O-N 3.11Å
137	K	89.6	Confident	90.5	Very high	107 Å²	107	71.5 Å²	71.5	47%	0.465	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-74.2	-16.4	176.5	-72.5	-179.3	165.6	169.8	0	113.7	F66 G91 Q134 F135	F66-K137 HydrophobicContact CE1-CB 4.45Å; F66-K137 HydrophobicContact CZ-CB 4.42Å; G91-K137 WeakPolarHBondContact CA-O 3.35Å; G91-K137 PolarHBondContact N-O 3.29Å; Q134-K137 HydrophobicContact CB-CD 4.04Å; Q134-K137 HydrophobicContact CB-CG 4.17Å; Q134-K137 WeakPolarHBondContact O-CB 3.3Å; Q134-K137 PolarHBondContact O-N 3.25Å; F135-K137 PolarHBondContact O-N 3.19Å; F135-K137 VanDerWaalsContact O-N 3.15Å
138	V	90.5	Very high	90.8	Very high	10 Å²	10	67.6 Å²	67.6	6%	0.061	35%	0.345	C	S	.	.	S	Bend	trans	-104.4	134.2	178.2	-67.1	0	0	0	0	110.1	W64 F66 M90 V123 F135 C136 I140	W64-V138 HydrophobicContact CB-CG1 3.64Å; W64-V138 HydrophobicContact CD2-CB 4.25Å; W64-V138 HydrophobicContact CD2-CG1 3.91Å; W64-V138 HydrophobicContact CG-CB 4.32Å; W64-V138 HydrophobicContact CG-CG1 3.48Å; W64-V138 VanDerWaalsContact CG-CG1 3.48Å; F66-V138 HydrophobicContact CE2-CG1 3.73Å; F66-V138 HydrophobicContact CE2-CG2 4.48Å; F66-V138 HydrophobicContact CZ-CG1 3.91Å; F66-V138 HydrophobicContact CZ-CG2 4.46Å; M90-V138 HydrophobicContact SD-CG1 4.05Å; V123-V138 HydrophobicContact CG2-CG2 4.25Å; F135-V138 WeakPolarHBondContact O-CG2 3.39Å; F135-V138 PolarHBondContact O-N 3.31Å; F135-V138 VanDerWaalsContact O-N 3.13Å; C136-V138 VanDerWaalsContact C-N 3.29Å; C136-V138 PolarHBondContact O-N 3.11Å; V138-I140 HydrophobicContact CB-CG1 4.25Å; V138-I140 HydrophobicContact CG2-CD1 3.69Å; V138-I140 HydrophobicContact CG2-CG1 3.75Å; V138-I140 PolarHBondContact O-N 2.75Å
139	K	89.1	Confident	91.1	Very high	133 Å²	133	60.1 Å²	60.1	58%	0.578	31%	0.31	S	S	*	.	B	Isolated β-bridge	trans	-90.1	87.3	178.3	-69.6	-170.9	177.9	-175.6	0	109.4
140	I	89.7	Confident	91.5	Very high	50 Å²	50	57.8 Å²	57.8	26%	0.256	30%	0.3	S	S	.	.			trans	-90.9	108.2	-179.5	-56.8	179.9	0	0	0	109.6	T98 T100 V123 V138	T98-I140 HydrophobicContact CG2-CD1 4.17Å; T98-I140 HydrophobicContact CG2-CG1 4.14Å; T98-I140 HydrophobicContact CG2-CG2 4.07Å; T100-I140 HydrophobicContact CG2-CD1 3.9Å; T100-I140 HydrophobicContact CG2-CG2 4.37Å; V123-I140 HydrophobicContact CG2-CD1 4Å; V138-I140 HydrophobicContact CB-CG1 4.25Å; V138-I140 HydrophobicContact CG2-CD1 3.69Å; V138-I140 HydrophobicContact CG2-CG1 3.75Å; V138-I140 PolarHBondContact O-N 2.75Å
141	S	87	Confident	91.9	Very high	60 Å²	60	55.6 Å²	55.6	42%	0.42	29%	0.288	S	S	.	.	S	Bend	trans	-86.4	-41.9	177.5	-54.5	0	0	0	0	112.5	H93	H93-S141 PolarHBondContact CD2-OG 3.24Å; H93-S141 PolarHBondContact NE2-OG 2.93Å
142	H	93.1	Very high	92.4	Very high	51 Å²	51	47.8 Å²	47.8	24%	0.236	25%	0.247	C	C	.	.	S	Bend	trans	-126.7	69.5	-177.6	-57.9	-66.9	0	0	0	111	I97 T98 R114	I97-H142 HydrophobicContact CD1-CB 3.78Å; T98-H142 PolarHBondContact N-O 3.09Å; R114-H142 PolarHBondContact NH1-CD2 2.86Å; R114-H142 PolarHBondContact NH1-NE2 3.2Å; R114-H142 PolarHBondContact NH2-NE2 2.98Å
143	G	94.4	Very high	92.7	Very high	18 Å²	18	41.2 Å²	41.2	19%	0.186	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	133.8	176.6	0	0	0	0	0	112	T98	T98-G143 CarbonylContact O-C 3.47Å; T98-G143 VanDerWaalsContact O-CA 3.31Å; T98-G143 WeakPolarHBondContact O-CA 3.37Å
144	R	96	Very high	93	Very high	28 Å²	28	45.5 Å²	45.5	11%	0.106	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	148.1	176.7	-60.8	-66.6	-177.6	-92.5	-3.2	111.4	I97 T98 L99 T100 C105 C106 L107 D111	I97-R144 HydrophobicContact CG2-CB 4.04Å; I97-R144 HydrophobicContact CG2-CG 3.54Å; T98-R144 PolarHBondContact O-N 3.42Å; L99-R144 WeakPolarHBondContact CA-O 3.45Å; L99-R144 HydrophobicContact CD2-CB 4.48Å; T100-R144 PolarHBondContact N-O 3.45Å; T100-R144 VanDerWaalsContact N-O 3.08Å; C105-R144 CarbonylContact O-C 3.54Å; C105-R144 VanDerWaalsContact O-CA 3.26Å; C105-R144 WeakPolarHBondContact O-CA 3.32Å; C106-R144 WeakPolarHBondContact O-CD 3.28Å; L107-R144 HydrophobicContact CD2-CB 3.57Å; L107-R144 HydrophobicContact CD2-CG 3.93Å; L107-R144 HydrophobicContact CG-CB 4.32Å; D111-R144 IonicContact OD1-CZ 3.53Å; D111-R144 IonicContact OD1-NE 3.47Å; D111-R144 PolarHBondContact OD1-NE 3.27Å; D111-R144 IonicContact OD1-NH2 2.75Å; D111-R144 PolarHBondContact OD1-NH2 3.45Å; D111-R144 IonicContact OD2-CZ 3.58Å; D111-R144 IonicContact OD2-NE 2.74Å; D111-R144 PolarHBondContact OD2-NE 3.45Å; D111-R144 IonicContact OD2-NH2 3.57Å
145	L	94.7	Very high	93.1	Very high	65 Å²	65	45.9 Å²	45.9	34%	0.34	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-94.2	145.9	165.6	-67.8	169.6	0	0	0	109.3	T100 G103 C105 C106 L107	T100-L145 WeakPolarHBondContact O-CD2 3.49Å; G103-L145 WeakPolarHBondContact O-CD1 3.41Å; G103-L145 VanDerWaalsContact O-CG 3.31Å; G103-L145 WeakPolarHBondContact O-CG 3.31Å; C105-L145 PolarHBondContact O-N 3.16Å; C106-L145 CarbonylContact C-O 3.5Å; C106-L145 WeakPolarHBondContact CA-O 3.06Å; L107-L145 PolarHBondContact N-O 3.3Å
146	L	95.2	Very high	93.4	Very high	34 Å²	34	44.8 Å²	44.8	18%	0.178	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-75.7	149.3	165.7	-76	164.2	0	0	0	109.8	L99 L107 L163 A168 A171 A172	L99-L146 HydrophobicContact CD1-CD1 4.23Å; L99-L146 HydrophobicContact CD1-CG 4.44Å; L99-L146 HydrophobicContact CD2-CG 4.46Å; L107-L146 HydrophobicContact CD1-CD2 3.5Å; L107-L146 VanDerWaalsContact CD1-CD2 3.5Å; L107-L146 HydrophobicContact CG-CD2 4.33Å; L146-L163 HydrophobicContact CD1-CD1 3.73Å; L146-A168 VanDerWaalsContact CD1-CA 3.47Å; L146-A168 HydrophobicContact CD1-CB 3.63Å; L146-A171 HydrophobicContact CD1-CB 4.31Å; L146-A171 HydrophobicContact CD2-CB 3.91Å; L146-A172 HydrophobicContact CD2-CB 4.26Å
147	P	94.8	Very high	93.7	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.013	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-66.7	174	169.8	32.3	-36.5	0	0	0	110.7	L149 I175 Y206 M215	P147-L149 PolarHBondContact O-N 3.15Å; P147-I175 HydrophobicContact CG-CD1 3.8Å; P147-Y206 HydrophobicContact CB-CD1 4.23Å; P147-Y206 HydrophobicContact CB-CD2 3.94Å; P147-Y206 HydrophobicContact CB-CE1 3.96Å; P147-Y206 HydrophobicContact CB-CE2 3.64Å; P147-Y206 HydrophobicContact CB-CG 4.25Å; P147-Y206 HydrophobicContact CG-CD1 4.3Å; P147-Y206 HydrophobicContact CG-CD2 3.38Å; P147-Y206 HydrophobicContact CG-CE1 4.42Å; P147-Y206 HydrophobicContact CG-CE2 3.53Å; P147-Y206 HydrophobicContact CG-CG 3.82Å; P147-M215 HydrophobicContact CB-CG 4.45Å; P147-M215 HydrophobicContact CB-SD 4.13Å; P147-M215 HydrophobicContact CG-SD 4.04Å
148	Y	95.3	Very high	93.9	Very high	9 Å²	9	43.8 Å²	43.8	4%	0.035	24%	0.241	C	C	.	.	S	Bend	trans	-54.4	121.8	178.6	178.7	-85.5	0	0	0	111.9	I150 P160 Y202 Y206 N222 M223 Q226	Y148-I150 HydrophobicContact CE1-CG1 4.02Å; Y148-I150 WeakPolarHBondContact OH-CG1 3.22Å; Y148-P160 HydrophobicContact CD2-CB 4.37Å; Y148-P160 HydrophobicContact CE2-CB 3.42Å; Y148-P160 VanDerWaalsContact CE2-CB 3.42Å; Y148-P160 WeakPolarHBondContact OH-CB 3.35Å; Y148-Y202 HydrophobicContact CD1-CE2 4.47Å; Y148-Y202 HydrophobicContact CE1-CE2 4.08Å; Y148-Y206 VanDerWaalsContact O-CE2 3.24Å; Y148-Y206 WeakPolarHBondContact O-CE2 3.39Å; Y148-Y206 PolarHBondContact O-OH 3.07Å; Y148-Y206 VanDerWaalsContact O-OH 3.11Å; Y148-N222 HydrophobicContact CD1-CB 4.37Å; Y148-M223 HydrophobicContact CD2-CE 3.81Å; Y148-M223 HydrophobicContact CD2-CG 3.68Å; Y148-M223 HydrophobicContact CE2-CG 4.34Å; Y148-M223 HydrophobicContact CG-CE 4.33Å; Y148-M223 HydrophobicContact CG-CG 4.02Å; Y148-Q226 VanDerWaalsContact CZ-CD 3.5Å; Y148-Q226 VanDerWaalsContact CZ-NE2 3.32Å; Y148-Q226 PolarHBondContact OH-NE2 3.48Å; Y148-Q226 PolarHBondContact OH-OE1 3.05Å
149	L	96.9	Very high	94.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.			trans	-148.2	153.9	176	-69.2	170.3	0	0	0	109	P147 C161 L163 A171 F195 N199 Y202 L203 Y206	P147-L149 PolarHBondContact O-N 3.15Å; L149-C161 PolarHBondContact O-N 2.88Å; L149-L163 HydrophobicContact CB-CD1 4.11Å; L149-L163 HydrophobicContact CB-CD2 4.23Å; L149-L163 HydrophobicContact CD1-CD1 4.03Å; L149-A171 HydrophobicContact CD1-CB 3.46Å; L149-A171 VanDerWaalsContact CD1-CB 3.46Å; L149-F195 HydrophobicContact CD1-CZ 4.36Å; L149-N199 HydrophobicContact CD2-CB 3.83Å; L149-Y202 HydrophobicContact CD2-CD2 4.48Å; L149-L203 HydrophobicContact CD1-CD2 4.19Å; L149-L203 HydrophobicContact CD2-CD2 3.96Å; L149-L203 HydrophobicContact CD2-CG 4.18Å; L149-Y206 HydrophobicContact CD2-CD2 4.37Å; L149-Y206 HydrophobicContact CD2-CE2 4.01Å; L149-Y206 HydrophobicContact CG-CE2 4.39Å
150	I	96.9	Very high	94.3	Very high	23 Å²	23	44.3 Å²	44.3	12%	0.118	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-97.8	131.6	179.5	-52.6	175.1	0	0	0	109.2	Y148 L198 N199 Y202	Y148-I150 HydrophobicContact CE1-CG1 4.02Å; Y148-I150 WeakPolarHBondContact OH-CG1 3.22Å; I150-L198 HydrophobicContact CB-CD2 3.95Å; I150-L198 HydrophobicContact CB-CG 4.35Å; I150-L198 HydrophobicContact CG2-CD2 3.75Å; I150-L198 HydrophobicContact CG2-CG 4.5Å; I150-N199 PolarHBondContact N-OD1 3.28Å; I150-N199 PolarHBondContact O-ND2 2.52Å; I150-Y202 HydrophobicContact CD1-CE2 4.02Å; I150-Y202 HydrophobicContact CG1-CE2 4.24Å
151	A	97.1	Very high	94.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.256	C	S	.	.			trans	-69.3	135.2	174.7	0	0	0	0	0	111.6	N156 Y157 G158 K159 L163	A151-N156 HydrophobicContact CB-CB 4.06Å; A151-N156 VanDerWaalsContact CB-O 3.28Å; A151-N156 WeakPolarHBondContact CB-O 3.44Å; A151-Y157 CarbonylContact O-C 3.57Å; A151-Y157 WeakPolarHBondContact O-CA 3.42Å; A151-G158 PolarHBondContact O-N 3.33Å; A151-K159 PolarHBondContact N-O 3.2Å; A151-L163 HydrophobicContact CB-CD2 4.16Å
152	A	97.3	Very high	94.7	Very high	6 Å²	6	45 Å²	45	5%	0.05	25%	0.25	C	S	.	.			trans	-110.8	-2.1	172.9	0	0	0	0	0	112.6	E167 F195 L198	A152-E167 WeakPolarHBondContact CA-OE1 3.44Å; A152-E167 PolarHBondContact N-OE1 2.65Å; A152-F195 VanDerWaalsContact CB-CA 3.44Å; A152-F195 HydrophobicContact CB-CB 3.82Å; A152-F195 HydrophobicContact CB-CD2 4.13Å; A152-L198 HydrophobicContact CB-CD2 4.05Å
153	N	94.7	Very high	94.9	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.043	24%	0.242	C	C	.	.	S	Bend	trans	-67.2	151.6	175.8	71.3	77.9	0	0	0	111.9	V155 N156 Y157 E167 W191	N153-V155 PolarHBondContact O-N 3.04Å; N153-V155 VanDerWaalsContact O-N 3.07Å; N153-V155 WeakPolarHBondContact OD1-CB 3.45Å; N153-V155 PolarHBondContact OD1-N 3.16Å; N153-V155 VanDerWaalsContact OD1-N 3.07Å; N153-N156 PolarHBondContact O-N 2.88Å; N153-N156 PolarHBondContact OD1-N 2.75Å; N153-Y157 WeakPolarHBondContact O-CA 3.2Å; N153-Y157 WeakPolarHBondContact O-CB 3.36Å; N153-Y157 PolarHBondContact O-N 3.21Å; N153-E167 PolarHBondContact N-OE1 3.21Å; N153-E167 PolarHBondContact ND2-OE2 3.11Å; N153-W191 HydrophobicContact CB-CE3 4.22Å; N153-W191 HydrophobicContact CB-CH2 3.64Å; N153-W191 HydrophobicContact CB-CZ2 3.94Å; N153-W191 HydrophobicContact CB-CZ3 3.77Å
154	P	94.3	Very high	94.9	Very high	99 Å²	99	43.2 Å²	43.2	64%	0.643	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.1	-176.4	-25.9	34.7	0	0	0	115.8	W191	P154-W191 VanDerWaalsContact CD-CD1 3.47Å; P154-W191 VanDerWaalsContact CG-CD1 3.47Å; P154-W191 HydrophobicContact CG-CG 3.96Å
155	V	92.4	Very high	95	Very high	110 Å²	110	42.6 Å²	42.6	67%	0.667	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-37.9	-175.7	-179.1	0	0	0	0	111.1	N153	N153-V155 PolarHBondContact O-N 3.04Å; N153-V155 VanDerWaalsContact O-N 3.07Å; N153-V155 WeakPolarHBondContact OD1-CB 3.45Å; N153-V155 PolarHBondContact OD1-N 3.16Å; N153-V155 VanDerWaalsContact OD1-N 3.07Å
156	N	93.2	Very high	95.1	Very high	10 Å²	10	39.5 Å²	39.5	5%	0.053	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	22.5	-173.3	-70.6	-33.3	0	0	0	113	A151 N153 G158 K159 Q162	A151-N156 HydrophobicContact CB-CB 4.06Å; A151-N156 VanDerWaalsContact CB-O 3.28Å; A151-N156 WeakPolarHBondContact CB-O 3.44Å; N153-N156 PolarHBondContact O-N 2.88Å; N153-N156 PolarHBondContact OD1-N 2.75Å; N156-G158 PolarHBondContact O-N 2.91Å; N156-K159 HydrophobicContact CB-CB 4.37Å; N156-K159 HydrophobicContact CB-CD 4.09Å; N156-K159 VanDerWaalsContact O-CB 3.27Å; N156-K159 WeakPolarHBondContact O-CB 3.47Å; N156-K159 WeakPolarHBondContact O-CG 3.08Å; N156-K159 PolarHBondContact O-N 3.21Å; N156-K159 PolarHBondContact OD1-NZ 2.72Å; N156-K159 VanDerWaalsContact OD1-NZ 3.1Å; N156-Q162 HydrophobicContact CB-CB 4.09Å; N156-Q162 PolarHBondContact ND2-O 3.24Å; N156-Q162 PolarHBondContact OD1-OE1 3.35Å
157	Y	95.1	Very high	95.3	Very high	160 Å²	160	37.9 Å²	37.9	63%	0.627	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48	130.9	-177.1	-175.1	-94.2	0	0	0	112.1	A151 N153 K159	A151-Y157 CarbonylContact O-C 3.57Å; A151-Y157 WeakPolarHBondContact O-CA 3.42Å; N153-Y157 WeakPolarHBondContact O-CA 3.2Å; N153-Y157 WeakPolarHBondContact O-CB 3.36Å; N153-Y157 PolarHBondContact O-N 3.21Å; Y157-K159 PolarHBondContact O-N 3.15Å
158	G	94.3	Very high	95.4	Very high	43 Å²	43	38.4 Å²	38.4	44%	0.443	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	-10.8	-179.2	0	0	0	0	0	115	A151 N156	A151-G158 PolarHBondContact O-N 3.33Å; N156-G158 PolarHBondContact O-N 2.91Å
159	K	93.8	Very high	95.5	Very high	87 Å²	87	38 Å²	38	38%	0.378	22%	0.218	S	C	.	.			trans	-79.3	134.2	-179.5	-60.5	-177.6	-170.6	164.7	0	111.3	A151 N156 Y157 Q162	A151-K159 PolarHBondContact N-O 3.2Å; N156-K159 HydrophobicContact CB-CB 4.37Å; N156-K159 HydrophobicContact CB-CD 4.09Å; N156-K159 VanDerWaalsContact O-CB 3.27Å; N156-K159 WeakPolarHBondContact O-CB 3.47Å; N156-K159 WeakPolarHBondContact O-CG 3.08Å; N156-K159 PolarHBondContact O-N 3.21Å; N156-K159 PolarHBondContact OD1-NZ 2.72Å; N156-K159 VanDerWaalsContact OD1-NZ 3.1Å; Y157-K159 PolarHBondContact O-N 3.15Å; K159-Q162 HydrophobicContact CB-CB 4.19Å; K159-Q162 HydrophobicContact CB-CG 4.44Å
160	P	93.3	Very high	95.6	Very high	67 Å²	67	38 Å²	38	44%	0.435	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-70.1	140.1	177.3	29.1	-35.6	0	0	0	111.4	Y148 Q162	Y148-P160 HydrophobicContact CD2-CB 4.37Å; Y148-P160 HydrophobicContact CE2-CB 3.42Å; Y148-P160 VanDerWaalsContact CE2-CB 3.42Å; Y148-P160 WeakPolarHBondContact OH-CB 3.35Å; P160-Q162 PolarHBondContact O-N 3.11Å
161	C	92.7	Very high	95.7	Very high	59 Å²	59	36.9 Å²	36.9	40%	0.399	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	2.3	172.3	-57.2	0	0	0	0	116.4	W127 L149 L163	W127-C161 WeakPolarHBondContact CH2-O 3.36Å; W127-C161 WeakPolarHBondContact CZ2-O 3.46Å; L149-C161 PolarHBondContact O-N 2.88Å; C161-L163 VanDerWaalsContact C-N 3.28Å; C161-L163 PolarHBondContact O-N 2.97Å
162	Q	93.5	Very high	95.7	Very high	66 Å²	66	36.9 Å²	36.9	31%	0.308	21%	0.212	S	C	.	.			trans	-94.7	50	179.3	-66.1	-166.9	-6	0	0	112.2	N156 K159 P160	N156-Q162 HydrophobicContact CB-CB 4.09Å; N156-Q162 PolarHBondContact ND2-O 3.24Å; N156-Q162 PolarHBondContact OD1-OE1 3.35Å; K159-Q162 HydrophobicContact CB-CB 4.19Å; K159-Q162 HydrophobicContact CB-CG 4.44Å; P160-Q162 PolarHBondContact O-N 3.11Å
163	L	95.9	Very high	95.7	Very high	11 Å²	11	36.6 Å²	36.6	6%	0.058	21%	0.21	C	C	.	.			trans	-68.7	148.8	-177.9	-55.5	-177.5	0	0	0	111.5	W127 L146 L149 A151 C161 E167 F195	W127-L163 PolarHBondContact NE1-O 3.18Å; L146-L163 HydrophobicContact CD1-CD1 3.73Å; L149-L163 HydrophobicContact CB-CD1 4.11Å; L149-L163 HydrophobicContact CB-CD2 4.23Å; L149-L163 HydrophobicContact CD1-CD1 4.03Å; A151-L163 HydrophobicContact CB-CD2 4.16Å; C161-L163 VanDerWaalsContact C-N 3.28Å; C161-L163 PolarHBondContact O-N 2.97Å; L163-E167 HydrophobicContact CB-CB 4.05Å; L163-E167 HydrophobicContact CD2-CB 4.36Å; L163-F195 HydrophobicContact CD1-CZ 4.46Å; L163-F195 HydrophobicContact CD2-CE2 3.75Å; L163-F195 HydrophobicContact CD2-CZ 4.34Å
164	S	96.4	Very high	95.9	Very high	20 Å²	20	36.8 Å²	36.8	14%	0.14	21%	0.21	C	C	.	.			trans	-75	163.3	165.9	67.8	0	0	0	0	111	A166 E167 A168	S164-A166 PolarHBondContact O-N 3.36Å; S164-A166 VanDerWaalsContact O-N 3.15Å; S164-E167 VanDerWaalsContact CB-OE2 3.27Å; S164-E167 WeakPolarHBondContact CB-OE2 3.42Å; S164-E167 PolarHBondContact N-OE2 2.83Å; S164-E167 PolarHBondContact O-N 3.14Å; S164-E167 WeakPolarHBondContact OG-CG 3.07Å; S164-E167 PolarHBondContact OG-N 3.45Å; S164-E167 PolarHBondContact OG-OE2 2.95Å; S164-A168 WeakPolarHBondContact O-CB 3.27Å; S164-A168 PolarHBondContact O-N 3.27Å
165	C	96.7	Very high	96	Very high	16 Å²	16	32.7 Å²	32.7	11%	0.108	18%	0.183	C	C	.	.	H	α-helix	trans	-56.5	-32.1	175.5	-68.9	0	0	0	0	113	S75 V122 D124 F169	S75-C165 PolarHBondContact OG-N 2.91Å; V122-C165 HydrophobicContact CG2-CB 4.11Å; D124-C165 PolarHBondContact OD1-SG 2.93Å; C165-F169 WeakPolarHBondContact O-CD2 3.5Å; C165-F169 PolarHBondContact O-N 3.48Å
166	A	97.7	Very high	96.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-73	-45.7	179.4	0	0	0	0	0	111.7	S75 L79 S164 A168 F169 A170 F189	S75-A166 PolarHBondContact OG-N 2.84Å; L79-A166 HydrophobicContact CD1-CB 3.85Å; L79-A166 HydrophobicContact CG-CB 4.47Å; S164-A166 PolarHBondContact O-N 3.36Å; S164-A166 VanDerWaalsContact O-N 3.15Å; A166-A168 VanDerWaalsContact C-N 3.29Å; A166-A168 PolarHBondContact O-N 3.31Å; A166-F169 PolarHBondContact O-N 3.25Å; A166-A170 WeakPolarHBondContact O-CB 3.26Å; A166-A170 PolarHBondContact O-N 3.41Å; A166-F189 HydrophobicContact CB-CD2 4.35Å; A166-F189 HydrophobicContact CB-CE1 4.47Å; A166-F189 HydrophobicContact CB-CE2 3.54Å; A166-F189 HydrophobicContact CB-CZ 3.62Å
167	E	98.1	Very high	96.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.5	-38.9	174.8	-69.3	164.7	133.2	0	0	111.3	A152 N153 L163 S164 F169 A170 A171 M186 W191 F195	A152-E167 WeakPolarHBondContact CA-OE1 3.44Å; A152-E167 PolarHBondContact N-OE1 2.65Å; N153-E167 PolarHBondContact N-OE1 3.21Å; N153-E167 PolarHBondContact ND2-OE2 3.11Å; L163-E167 HydrophobicContact CB-CB 4.05Å; L163-E167 HydrophobicContact CD2-CB 4.36Å; S164-E167 VanDerWaalsContact CB-OE2 3.27Å; S164-E167 WeakPolarHBondContact CB-OE2 3.42Å; S164-E167 PolarHBondContact N-OE2 2.83Å; S164-E167 PolarHBondContact O-N 3.14Å; S164-E167 WeakPolarHBondContact OG-CG 3.07Å; S164-E167 PolarHBondContact OG-N 3.45Å; S164-E167 PolarHBondContact OG-OE2 2.95Å; E167-F169 PolarHBondContact O-N 3.47Å; E167-A170 PolarHBondContact O-N 2.9Å; E167-A171 VanDerWaalsContact O-CB 3.26Å; E167-A171 WeakPolarHBondContact O-CB 3.46Å; E167-A171 PolarHBondContact O-N 2.81Å; E167-M186 HydrophobicContact CG-CE 4.1Å; E167-W191 HydrophobicContact CG-CH2 4.1Å; E167-W191 HydrophobicContact CG-CZ3 3.79Å; E167-F195 HydrophobicContact CB-CD1 4.26Å; E167-F195 HydrophobicContact CB-CD2 4Å; E167-F195 HydrophobicContact CB-CE1 4.03Å; E167-F195 HydrophobicContact CB-CE2 3.77Å; E167-F195 HydrophobicContact CB-CG 4.24Å; E167-F195 HydrophobicContact CB-CZ 3.78Å; E167-F195 HydrophobicContact CG-CB 4.3Å; E167-F195 HydrophobicContact CG-CD1 4.12Å; E167-F195 HydrophobicContact CG-CD2 3.59Å; E167-F195 HydrophobicContact CG-CE1 4.38Å; E167-F195 HydrophobicContact CG-CE2 3.91Å; E167-F195 HydrophobicContact CG-CG 3.72Å; E167-F195 HydrophobicContact CG-CZ 4.29Å; E167-F195 WeakPolarHBondContact O-CE1 3.49Å; E167-F195 WeakPolarHBondContact OE1-CD2 3.3Å
168	A	97.9	Very high	96.5	Very high	13 Å²	13	21.5 Å²	21.5	11%	0.107	13%	0.133	C	C	.	.	H	α-helix	trans	-60.9	-45.8	177.7	0	0	0	0	0	112.2	L99 V122 L146 S164 A166 A172	L99-A168 HydrophobicContact CD1-CB 4.08Å; L99-A168 WeakPolarHBondContact CD1-O 3.19Å; V122-A168 HydrophobicContact CG1-CB 4.42Å; L146-A168 VanDerWaalsContact CD1-CA 3.47Å; L146-A168 HydrophobicContact CD1-CB 3.63Å; S164-A168 WeakPolarHBondContact O-CB 3.27Å; S164-A168 PolarHBondContact O-N 3.27Å; A166-A168 VanDerWaalsContact C-N 3.29Å; A166-A168 PolarHBondContact O-N 3.31Å; A168-A172 PolarHBondContact O-N 2.94Å; A168-A172 VanDerWaalsContact O-N 3.14Å
169	F	98.3	Very high	96.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.1	-48.8	172.6	-79.9	-57.7	0	0	0	112.1	L61 A62 L79 V85 L120 V122 C165 A166 E167 A171 A172 L173 L185	L61-F169 HydrophobicContact CB-CD1 4.39Å; L61-F169 HydrophobicContact CB-CE1 3.93Å; L61-F169 HydrophobicContact CB-CZ 4.14Å; L61-F169 HydrophobicContact CD1-CD1 4.27Å; L61-F169 HydrophobicContact CD1-CG 4.32Å; L61-F169 HydrophobicContact CD2-CD1 3.78Å; L61-F169 HydrophobicContact CD2-CE1 3.98Å; L61-F169 HydrophobicContact CG-CD1 4.37Å; L61-F169 HydrophobicContact CG-CE1 4.38Å; A62-F169 VanDerWaalsContact O-CZ 3.28Å; A62-F169 WeakPolarHBondContact O-CZ 3.2Å; L79-F169 HydrophobicContact CD1-CD2 3.99Å; L79-F169 HydrophobicContact CD1-CE2 4.46Å; V85-F169 HydrophobicContact CG1-CE2 4.05Å; V85-F169 HydrophobicContact CG1-CZ 3.94Å; V85-F169 HydrophobicContact CG2-CD2 4.24Å; V85-F169 HydrophobicContact CG2-CE2 3.73Å; V85-F169 HydrophobicContact CG2-CZ 4.14Å; L120-F169 HydrophobicContact CB-CD1 4.25Å; L120-F169 HydrophobicContact CB-CE1 4.21Å; V122-F169 HydrophobicContact CB-CE1 4.48Å; V122-F169 HydrophobicContact CB-CE2 4.26Å; V122-F169 HydrophobicContact CB-CZ 4.07Å; V122-F169 HydrophobicContact CG1-CD1 3.85Å; V122-F169 HydrophobicContact CG1-CD2 4.07Å; V122-F169 HydrophobicContact CG1-CE1 3.63Å; V122-F169 HydrophobicContact CG1-CE2 3.84Å; V122-F169 HydrophobicContact CG1-CG 4.08Å; V122-F169 HydrophobicContact CG1-CZ 3.63Å; V122-F169 HydrophobicContact CG2-CD2 4.24Å; V122-F169 HydrophobicContact CG2-CE1 4.33Å; V122-F169 HydrophobicContact CG2-CE2 3.39Å; V122-F169 HydrophobicContact CG2-CZ 3.47Å; V122-F169 VanDerWaalsContact CG2-CZ 3.47Å; C165-F169 WeakPolarHBondContact O-CD2 3.5Å; C165-F169 PolarHBondContact O-N 3.48Å; A166-F169 PolarHBondContact O-N 3.25Å; E167-F169 PolarHBondContact O-N 3.47Å; F169-A171 VanDerWaalsContact C-N 3.32Å; F169-A171 PolarHBondContact O-N 3.31Å; F169-A172 PolarHBondContact O-N 2.94Å; F169-L173 WeakPolarHBondContact O-CB 3.26Å; F169-L173 VanDerWaalsContact O-CG 3.26Å; F169-L173 WeakPolarHBondContact O-CG 3.34Å; F169-L173 PolarHBondContact O-N 3.23Å; F169-L185 HydrophobicContact CB-CD2 3.41Å; F169-L185 VanDerWaalsContact CB-CD2 3.41Å; F169-L185 HydrophobicContact CG-CD2 4.33Å
170	A	98.2	Very high	96.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.8	-43.8	-178.3	0	0	0	0	0	111.7	A166 E167 L173 Y174 A182 L185 M186 F195	A166-A170 WeakPolarHBondContact O-CB 3.26Å; A166-A170 PolarHBondContact O-N 3.41Å; E167-A170 PolarHBondContact O-N 2.9Å; A170-L173 PolarHBondContact O-N 3.45Å; A170-Y174 VanDerWaalsContact O-CB 3.29Å; A170-Y174 WeakPolarHBondContact O-CB 3.24Å; A170-Y174 PolarHBondContact O-N 3.03Å; A170-A182 HydrophobicContact CB-CB 4.35Å; A170-A182 WeakPolarHBondContact O-CB 3.49Å; A170-L185 HydrophobicContact CB-CD2 4.48Å; A170-M186 HydrophobicContact CB-CG 3.59Å; A170-M186 HydrophobicContact CB-SD 3.45Å; A170-M186 WeakPolarHBondContact CB-SD 3.24Å; A170-F195 HydrophobicContact CB-CD1 4.33Å; A170-F195 HydrophobicContact CB-CE1 4.2Å
171	A	98.1	Very high	96.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.1	-51.7	175.9	0	0	0	0	0	111.9	L146 L149 E167 F169 L173 Y174 I175 F195 L203	L146-A171 HydrophobicContact CD1-CB 4.31Å; L146-A171 HydrophobicContact CD2-CB 3.91Å; L149-A171 HydrophobicContact CD1-CB 3.46Å; L149-A171 VanDerWaalsContact CD1-CB 3.46Å; E167-A171 VanDerWaalsContact O-CB 3.26Å; E167-A171 WeakPolarHBondContact O-CB 3.46Å; E167-A171 PolarHBondContact O-N 2.81Å; F169-A171 VanDerWaalsContact C-N 3.32Å; F169-A171 PolarHBondContact O-N 3.31Å; A171-L173 PolarHBondContact O-N 3.32Å; A171-Y174 PolarHBondContact O-N 3.42Å; A171-I175 WeakPolarHBondContact O-CB 3.29Å; A171-I175 VanDerWaalsContact O-CG1 3.24Å; A171-I175 WeakPolarHBondContact O-CG1 3.41Å; A171-I175 PolarHBondContact O-N 2.9Å; A171-F195 HydrophobicContact CB-CE1 4.21Å; A171-F195 HydrophobicContact CB-CZ 4.08Å; A171-L203 HydrophobicContact CB-CD2 4.3Å
172	A	98	Very high	97.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62	-45	179.5	0	0	0	0	0	112	L99 L107 L120 L146 A168 F169 Y174 I175 Y176	L99-A172 HydrophobicContact CD1-CB 3.76Å; L99-A172 HydrophobicContact CD2-CB 4.22Å; L107-A172 HydrophobicContact CD1-CB 4.11Å; L120-A172 HydrophobicContact CD1-CB 3.84Å; L120-A172 HydrophobicContact CD2-CB 4.11Å; L146-A172 HydrophobicContact CD2-CB 4.26Å; A168-A172 PolarHBondContact O-N 2.94Å; A168-A172 VanDerWaalsContact O-N 3.14Å; F169-A172 PolarHBondContact O-N 2.94Å; A172-Y174 VanDerWaalsContact C-N 3.31Å; A172-Y174 PolarHBondContact O-N 3.37Å; A172-I175 PolarHBondContact O-N 3.09Å; A172-Y176 WeakPolarHBondContact O-CD2 3.39Å; A172-Y176 PolarHBondContact O-N 3.31Å
173	L	98	Very high	97.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.2	-46.1	175.6	-74.2	170.3	0	0	0	111.3	V59 L61 L120 F169 A170 A171 Y176 G177 F178 Q181 A182	V59-L173 HydrophobicContact CB-CD2 3.71Å; V59-L173 HydrophobicContact CG1-CD2 4.14Å; V59-L173 HydrophobicContact CG2-CD2 3.9Å; L61-L173 HydrophobicContact CD1-CD1 4.3Å; L61-L173 HydrophobicContact CD2-CD1 4.38Å; L61-L173 HydrophobicContact CD2-CD2 4.28Å; L120-L173 HydrophobicContact CD1-CD2 3.94Å; L120-L173 HydrophobicContact CD1-CG 4.11Å; F169-L173 WeakPolarHBondContact O-CB 3.26Å; F169-L173 VanDerWaalsContact O-CG 3.26Å; F169-L173 WeakPolarHBondContact O-CG 3.34Å; F169-L173 PolarHBondContact O-N 3.23Å; A170-L173 PolarHBondContact O-N 3.45Å; A171-L173 PolarHBondContact O-N 3.32Å; L173-Y176 PolarHBondContact O-N 3.04Å; L173-G177 PolarHBondContact O-N 2.98Å; L173-G177 VanDerWaalsContact O-N 3.15Å; L173-F178 HydrophobicContact CB-CB 4.2Å; L173-F178 HydrophobicContact CD2-CB 3.96Å; L173-F178 HydrophobicContact CD2-CD2 4.44Å; L173-F178 HydrophobicContact CD2-CG 4.38Å; L173-F178 WeakPolarHBondContact O-CA 3.38Å; L173-F178 PolarHBondContact O-N 2.94Å; L173-Q181 HydrophobicContact CD1-CB 4.34Å; L173-Q181 HydrophobicContact CD1-CG 3.95Å; L173-Q181 HydrophobicContact CD2-CG 4.48Å; L173-A182 HydrophobicContact CB-CB 3.87Å
174	Y	97.7	Very high	97.3	Very high	12 Å²	12	20.4 Å²	20.4	5%	0.047	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-47.9	179.7	-157.7	-74.6	0	0	0	111.9	A170 A171 A172 Y176 G177 K179 A182 L196 L203 E204	A170-Y174 VanDerWaalsContact O-CB 3.29Å; A170-Y174 WeakPolarHBondContact O-CB 3.24Å; A170-Y174 PolarHBondContact O-N 3.03Å; A171-Y174 PolarHBondContact O-N 3.42Å; A172-Y174 VanDerWaalsContact C-N 3.31Å; A172-Y174 PolarHBondContact O-N 3.37Å; Y174-Y176 VanDerWaalsContact C-N 3.3Å; Y174-Y176 PolarHBondContact O-N 3.29Å; Y174-G177 WeakPolarHBondContact O-CA 3.37Å; Y174-G177 PolarHBondContact O-N 3.31Å; Y174-K179 HydrophobicContact CD1-CG 4.29Å; Y174-K179 HydrophobicContact CD2-CB 4.42Å; Y174-K179 HydrophobicContact CD2-CG 4.05Å; Y174-K179 HydrophobicContact CE1-CD 4.07Å; Y174-K179 VanDerWaalsContact CE1-CE 3.44Å; Y174-K179 HydrophobicContact CE1-CG 4.17Å; Y174-K179 HydrophobicContact CE2-CB 4.32Å; Y174-K179 HydrophobicContact CE2-CD 4.09Å; Y174-K179 HydrophobicContact CE2-CG 3.91Å; Y174-K179 HydrophobicContact CG-CG 4.24Å; Y174-A182 HydrophobicContact CD2-CB 4.35Å; Y174-L196 HydrophobicContact CD2-CD2 3.81Å; Y174-L196 HydrophobicContact CE2-CD2 4.23Å; Y174-L203 HydrophobicContact CD1-CB 3.64Å; Y174-L203 HydrophobicContact CD1-CD1 4.39Å; Y174-L203 HydrophobicContact CD1-CD2 4.49Å; Y174-L203 HydrophobicContact CD1-CG 4.4Å; Y174-L203 HydrophobicContact CD2-CD1 4.37Å; Y174-L203 HydrophobicContact CE1-CB 3.74Å; Y174-L203 HydrophobicContact CG-CB 4.28Å; Y174-L203 HydrophobicContact CG-CD1 4.21Å; Y174-E204 VanDerWaalsContact CE1-OE1 3.26Å; Y174-E204 WeakPolarHBondContact CE1-OE1 3.48Å; Y174-E204 VanDerWaalsContact CZ-OE1 3.28Å; Y174-E204 PolarHBondContact OH-OE1 2.88Å
175	I	97.4	Very high	97.3	Very high	12 Å²	12	19.6 Å²	19.6	6%	0.062	10%	0.097	C	C	.	.	H	α-helix	trans	-60.4	-40.2	179.2	-68.8	166.8	0	0	0	110.8	L107 P147 A171 A172 G177 L203 Y206 M215	L107-I175 HydrophobicContact CD1-CD1 4.11Å; P147-I175 HydrophobicContact CG-CD1 3.8Å; A171-I175 WeakPolarHBondContact O-CB 3.29Å; A171-I175 VanDerWaalsContact O-CG1 3.24Å; A171-I175 WeakPolarHBondContact O-CG1 3.41Å; A171-I175 PolarHBondContact O-N 2.9Å; A172-I175 PolarHBondContact O-N 3.09Å; I175-G177 PolarHBondContact O-N 3.41Å; I175-L203 HydrophobicContact CG1-CD2 4.27Å; I175-Y206 HydrophobicContact CD1-CD2 4.36Å; I175-M215 HydrophobicContact CG2-CE 4.01Å
176	Y	96.9	Very high	97.3	Very high	8 Å²	8	18.9 Å²	18.9	3%	0.031	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-3.2	176.4	-69.1	-57.4	0	0	0	114.6	L107 K108 D111 K112 V115 L120 A172 L173 Y174	L107-Y176 HydrophobicContact CD1-CE2 4.28Å; L107-Y176 HydrophobicContact CD2-CE2 4.08Å; L107-Y176 VanDerWaalsContact CD2-OH 3.3Å; L107-Y176 WeakPolarHBondContact CD2-OH 3.31Å; K108-Y176 WeakPolarHBondContact O-CE1 3.38Å; K108-Y176 PolarHBondContact O-OH 3.45Å; K108-Y176 VanDerWaalsContact O-OH 3.12Å; D111-Y176 HydrophobicContact CB-CE1 4.15Å; D111-Y176 VanDerWaalsContact CB-OH 3.3Å; D111-Y176 WeakPolarHBondContact CB-OH 3.01Å; K112-Y176 HydrophobicContact CB-CD1 3.81Å; K112-Y176 HydrophobicContact CB-CE1 4.28Å; K112-Y176 WeakPolarHBondContact CE-O 3.48Å; K112-Y176 HydrophobicContact CG-CD1 4.22Å; K112-Y176 PolarHBondContact NZ-O 3.2Å; V115-Y176 HydrophobicContact CB-CD2 4.38Å; V115-Y176 HydrophobicContact CG1-CD2 4.16Å; V115-Y176 HydrophobicContact CG2-CD2 3.85Å; V115-Y176 HydrophobicContact CG2-CE2 3.67Å; V115-Y176 HydrophobicContact CG2-CG 4.43Å; L120-Y176 HydrophobicContact CD2-CE2 4.37Å; A172-Y176 WeakPolarHBondContact O-CD2 3.39Å; A172-Y176 PolarHBondContact O-N 3.31Å; L173-Y176 PolarHBondContact O-N 3.04Å; Y174-Y176 VanDerWaalsContact C-N 3.3Å; Y174-Y176 PolarHBondContact O-N 3.29Å
177	G	96	Very high	97.3	Very high	19 Å²	19	22.1 Å²	22.1	20%	0.196	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.9	-1.5	174.8	0	0	0	0	0	115.5	L173 Y174 I175 K179	L173-G177 PolarHBondContact O-N 2.98Å; L173-G177 VanDerWaalsContact O-N 3.15Å; Y174-G177 WeakPolarHBondContact O-CA 3.37Å; Y174-G177 PolarHBondContact O-N 3.31Å; I175-G177 PolarHBondContact O-N 3.41Å; G177-K179 PolarHBondContact O-N 3.33Å
178	F	96.9	Very high	97.1	Very high	18 Å²	18	25.5 Å²	25.5	8%	0.079	13%	0.129	C	C	.	.			trans	-81.1	54.3	177.5	-58.9	-83.4	0	0	0	111.7	V59 V115 V116 L173 Q180 Q181 A182	V59-F178 HydrophobicContact CG2-CD1 3.71Å; V59-F178 HydrophobicContact CG2-CD2 3.51Å; V59-F178 HydrophobicContact CG2-CE1 3.58Å; V59-F178 HydrophobicContact CG2-CE2 3.39Å; V59-F178 HydrophobicContact CG2-CG 3.66Å; V59-F178 HydrophobicContact CG2-CZ 3.42Å; V59-F178 VanDerWaalsContact CG2-CZ 3.42Å; V115-F178 HydrophobicContact CG1-CE2 4.26Å; V116-F178 HydrophobicContact CG2-CE2 4.44Å; V116-F178 HydrophobicContact CG2-CZ 3.82Å; L173-F178 HydrophobicContact CB-CB 4.2Å; L173-F178 HydrophobicContact CD2-CB 3.96Å; L173-F178 HydrophobicContact CD2-CD2 4.44Å; L173-F178 HydrophobicContact CD2-CG 4.38Å; L173-F178 WeakPolarHBondContact O-CA 3.38Å; L173-F178 PolarHBondContact O-N 2.94Å; F178-Q180 VanDerWaalsContact C-N 3.3Å; F178-Q180 PolarHBondContact O-N 3.5Å; F178-Q181 HydrophobicContact CB-CB 4.36Å; F178-Q181 PolarHBondContact O-N 3.5Å; F178-A182 PolarHBondContact O-N 3.27Å
179	K	96.2	Very high	97.1	Very high	49 Å²	49	25.3 Å²	25.3	21%	0.213	13%	0.126	C	C	.	.	H	α-helix	trans	-58.8	-40.8	-173.6	-67.4	-171.4	176.9	-174.9	0	112.2	Y174 G177 A182 K183 E204 K207	Y174-K179 HydrophobicContact CD1-CG 4.29Å; Y174-K179 HydrophobicContact CD2-CB 4.42Å; Y174-K179 HydrophobicContact CD2-CG 4.05Å; Y174-K179 HydrophobicContact CE1-CD 4.07Å; Y174-K179 VanDerWaalsContact CE1-CE 3.44Å; Y174-K179 HydrophobicContact CE1-CG 4.17Å; Y174-K179 HydrophobicContact CE2-CB 4.32Å; Y174-K179 HydrophobicContact CE2-CD 4.09Å; Y174-K179 HydrophobicContact CE2-CG 3.91Å; Y174-K179 HydrophobicContact CG-CG 4.24Å; G177-K179 PolarHBondContact O-N 3.33Å; K179-A182 WeakPolarHBondContact O-CB 3.47Å; K179-A182 PolarHBondContact O-N 3.39Å; K179-K183 WeakPolarHBondContact O-CG 3.42Å; K179-K183 PolarHBondContact O-N 3.33Å; K179-E204 WeakPolarHBondContact CE-OE1 3.48Å; K179-E204 IonicContact NZ-OE1 2.57Å; K179-E204 PolarHBondContact NZ-OE1 3.27Å; K179-E204 IonicContact NZ-OE2 2.82Å; K179-E204 PolarHBondContact NZ-OE2 3.02Å; K179-K207 VanDerWaalsContact CE-CD 3.49Å; K179-K207 VanDerWaalsContact CE-NZ 3.34Å
180	Q	96.5	Very high	96.9	Very high	93 Å²	93	35.4 Å²	35.4	44%	0.435	17%	0.17	S	C	.	.	H	α-helix	trans	-64.8	-46.1	-178.5	-175.6	54.4	30.2	0	0	111.6	F178 A182 K183 E184	F178-Q180 VanDerWaalsContact C-N 3.3Å; F178-Q180 PolarHBondContact O-N 3.5Å; Q180-A182 VanDerWaalsContact C-N 3.32Å; Q180-A182 PolarHBondContact O-N 3.01Å; Q180-K183 WeakPolarHBondContact O-CB 3.45Å; Q180-K183 PolarHBondContact O-N 3.36Å; Q180-E184 WeakPolarHBondContact CG-OE1 3.49Å; Q180-E184 PolarHBondContact NE2-OE1 2.64Å; Q180-E184 VanDerWaalsContact O-CG 3.32Å; Q180-E184 WeakPolarHBondContact O-CG 3.49Å; Q180-E184 PolarHBondContact O-N 2.93Å
181	Q	97.3	Very high	96.7	Very high	15 Å²	15	38.6 Å²	38.6	7%	0.07	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-38.8	175	-168.7	-179.7	0.6	0	0	112	V59 L173 F178 E184 L185	V59-Q181 PolarHBondContact O-NE2 3.31Å; L173-Q181 HydrophobicContact CD1-CB 4.34Å; L173-Q181 HydrophobicContact CD1-CG 3.95Å; L173-Q181 HydrophobicContact CD2-CG 4.48Å; F178-Q181 HydrophobicContact CB-CB 4.36Å; F178-Q181 PolarHBondContact O-N 3.5Å; Q181-E184 PolarHBondContact O-N 3.15Å; Q181-L185 WeakPolarHBondContact O-CB 3.49Å; Q181-L185 PolarHBondContact O-N 2.84Å
182	A	97.5	Very high	96.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-45.8	174.7	0	0	0	0	0	111.7	A170 L173 Y174 F178 K179 Q180 L185 M186	A170-A182 HydrophobicContact CB-CB 4.35Å; A170-A182 WeakPolarHBondContact O-CB 3.49Å; L173-A182 HydrophobicContact CB-CB 3.87Å; Y174-A182 HydrophobicContact CD2-CB 4.35Å; F178-A182 PolarHBondContact O-N 3.27Å; K179-A182 WeakPolarHBondContact O-CB 3.47Å; K179-A182 PolarHBondContact O-N 3.39Å; Q180-A182 VanDerWaalsContact C-N 3.32Å; Q180-A182 PolarHBondContact O-N 3.01Å; A182-L185 WeakPolarHBondContact O-CB 3.45Å; A182-L185 PolarHBondContact O-N 3.36Å; A182-M186 WeakPolarHBondContact O-CG 3.28Å; A182-M186 PolarHBondContact O-N 3.28Å; A182-M186 VanDerWaalsContact O-N 3.11Å
183	K	96.9	Very high	96.3	Very high	100 Å²	100	43.6 Å²	43.6	44%	0.435	21%	0.205	S	C	.	.	H	α-helix	trans	-59.6	-50	175.6	-72.4	173.8	-178.8	-177.6	0	111.2	K179 Q180 L185 M186 C187 L196	K179-K183 WeakPolarHBondContact O-CG 3.42Å; K179-K183 PolarHBondContact O-N 3.33Å; Q180-K183 WeakPolarHBondContact O-CB 3.45Å; Q180-K183 PolarHBondContact O-N 3.36Å; K183-L185 VanDerWaalsContact C-N 3.27Å; K183-L185 PolarHBondContact O-N 3.23Å; K183-M186 PolarHBondContact O-N 3.46Å; K183-M186 VanDerWaalsContact O-N 3.07Å; K183-C187 PolarHBondContact O-N 2.99Å; K183-C187 PolarHBondContact O-SG 2.81Å; K183-L196 HydrophobicContact CB-CD1 4.37Å; K183-L196 HydrophobicContact CG-CD1 3.68Å
184	E	96.4	Very high	96.1	Very high	54 Å²	54	45.4 Å²	45.4	25%	0.252	22%	0.223	S	C	.	.	H	α-helix	trans	-58.1	-38.7	179.4	-72.4	165.7	-178.8	0	0	112.9	R58 Q180 Q181 K188	R58-E184 IonicContact CZ-OE2 2.97Å; R58-E184 IonicContact NE-OE2 3.54Å; R58-E184 IonicContact NH2-OE2 3.86Å; R58-E184 PolarHBondContact NH2-OE2 2.93Å; Q180-E184 WeakPolarHBondContact CG-OE1 3.49Å; Q180-E184 PolarHBondContact NE2-OE1 2.64Å; Q180-E184 VanDerWaalsContact O-CG 3.32Å; Q180-E184 WeakPolarHBondContact O-CG 3.49Å; Q180-E184 PolarHBondContact O-N 2.93Å; Q181-E184 PolarHBondContact O-N 3.15Å; E184-K188 WeakPolarHBondContact O-CE 3.46Å
185	L	96.8	Very high	96.2	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-64	-44.9	175.5	-161.8	76.4	0	0	0	111.4	L61 L79 E84 F169 A170 Q181 A182 K183 K188	L61-L185 HydrophobicContact CD1-CD1 4.04Å; L61-L185 HydrophobicContact CD1-CD2 4.42Å; L79-L185 HydrophobicContact CD1-CD1 3.86Å; L79-L185 HydrophobicContact CD1-CD2 4.03Å; L79-L185 HydrophobicContact CD1-CG 4.06Å; L79-L185 HydrophobicContact CD2-CD1 3.38Å; L79-L185 HydrophobicContact CD2-CG 3.8Å; L79-L185 HydrophobicContact CG-CD1 4.18Å; E84-L185 HydrophobicContact CB-CD1 3.88Å; E84-L185 HydrophobicContact CG-CD1 4.27Å; F169-L185 HydrophobicContact CB-CD2 3.41Å; F169-L185 VanDerWaalsContact CB-CD2 3.41Å; F169-L185 HydrophobicContact CG-CD2 4.33Å; A170-L185 HydrophobicContact CB-CD2 4.48Å; Q181-L185 WeakPolarHBondContact O-CB 3.49Å; Q181-L185 PolarHBondContact O-N 2.84Å; A182-L185 WeakPolarHBondContact O-CB 3.45Å; A182-L185 PolarHBondContact O-N 3.36Å; K183-L185 VanDerWaalsContact C-N 3.27Å; K183-L185 PolarHBondContact O-N 3.23Å; L185-K188 WeakPolarHBondContact O-CG 3.27Å; L185-K188 PolarHBondContact O-N 3.39Å
186	M	97.3	Very high	96.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-72.1	-29.8	-179.3	-66	-47	-59.1	0	0	112.7	E167 A170 A182 K183 K188 F189 W191 G192 F195 L196	E167-M186 HydrophobicContact CG-CE 4.1Å; A170-M186 HydrophobicContact CB-CG 3.59Å; A170-M186 HydrophobicContact CB-SD 3.45Å; A170-M186 WeakPolarHBondContact CB-SD 3.24Å; A182-M186 WeakPolarHBondContact O-CG 3.28Å; A182-M186 PolarHBondContact O-N 3.28Å; A182-M186 VanDerWaalsContact O-N 3.11Å; K183-M186 PolarHBondContact O-N 3.46Å; K183-M186 VanDerWaalsContact O-N 3.07Å; M186-K188 PolarHBondContact O-N 3.02Å; M186-F189 PolarHBondContact O-N 3.43Å; M186-W191 HydrophobicContact CE-CE3 4.24Å; M186-W191 HydrophobicContact CE-CH2 4.16Å; M186-W191 HydrophobicContact CE-CZ3 3.6Å; M186-G192 WeakPolarHBondContact CE-O 3.43Å; M186-G192 WeakPolarHBondContact O-CA 3.41Å; M186-F195 HydrophobicContact CE-CB 3.81Å; M186-F195 HydrophobicContact CE-CD1 4.33Å; M186-F195 HydrophobicContact CE-CG 4.31Å; M186-F195 HydrophobicContact SD-CD1 4.34Å; M186-L196 HydrophobicContact CG-CD1 4.37Å; M186-L196 HydrophobicContact CG-CG 4.3Å
187	C	96.3	Very high	96.1	Very high	69 Å²	69	50.1 Å²	50.1	47%	0.466	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.9	175.4	-69.9	0	0	0	0	113.6	K183 F189 H193	K183-C187 PolarHBondContact O-N 2.99Å; K183-C187 PolarHBondContact O-SG 2.81Å; C187-F189 PolarHBondContact O-N 3.34Å; C187-H193 PolarHBondContact SG-NE2 3.13Å; C187-H193 VanDerWaalsContact SG-NE2 3.36Å
188	K	95.3	Very high	96.2	Very high	70 Å²	70	52.3 Å²	52.3	30%	0.304	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-9	175.4	-47.9	-59.1	179.7	172.3	0	113.1	K78 E84 E184 L185 M186	K78-K188 PolarHBondContact NZ-O 3.46Å; E84-K188 WeakPolarHBondContact OE1-CE 3.37Å; E84-K188 IonicContact OE1-NZ 3.77Å; E84-K188 PolarHBondContact OE1-NZ 3.08Å; E184-K188 WeakPolarHBondContact O-CE 3.46Å; L185-K188 WeakPolarHBondContact O-CG 3.27Å; L185-K188 PolarHBondContact O-N 3.39Å; M186-K188 PolarHBondContact O-N 3.02Å
189	F	96.3	Very high	96.2	Very high	9 Å²	9	51.5 Å²	51.5	4%	0.039	26%	0.258	C	S	.	.	S	Bend	trans	-121.5	131.1	-178.3	-55.4	-91.5	0	0	0	109.3	K78 L79 A166 M186 C187 W191 G192	K78-F189 HydrophobicContact CB-CE1 4.27Å; K78-F189 HydrophobicContact CB-CZ 4.4Å; K78-F189 HydrophobicContact CD-CD1 4.09Å; K78-F189 HydrophobicContact CD-CE1 3.63Å; K78-F189 HydrophobicContact CD-CZ 4.23Å; K78-F189 HydrophobicContact CG-CE1 4.35Å; L79-F189 HydrophobicContact CD2-CE2 3.76Å; L79-F189 HydrophobicContact CD2-CZ 4Å; L79-F189 HydrophobicContact CG-CE2 4.26Å; L79-F189 HydrophobicContact CG-CZ 4.07Å; A166-F189 HydrophobicContact CB-CD2 4.35Å; A166-F189 HydrophobicContact CB-CE1 4.47Å; A166-F189 HydrophobicContact CB-CE2 3.54Å; A166-F189 HydrophobicContact CB-CZ 3.62Å; M186-F189 PolarHBondContact O-N 3.43Å; C187-F189 PolarHBondContact O-N 3.34Å; F189-W191 HydrophobicContact CB-CD2 4.04Å; F189-W191 HydrophobicContact CB-CG 4.42Å; F189-W191 HydrophobicContact CB-CZ2 4.01Å; F189-W191 AromaticContact CD1-CE2 3.94Å; F189-W191 HydrophobicContact CD1-CH2 4.41Å; F189-W191 AromaticContact CD1-CZ2 3.59Å; F189-W191 HydrophobicContact CD1-CZ2 3.59Å; F189-W191 HydrophobicContact CE1-CZ2 4.24Å; F189-W191 HydrophobicContact CG-CH2 4.37Å; F189-W191 AromaticContact CG-CZ2 3.86Å; F189-W191 HydrophobicContact CG-CZ2 3.86Å; F189-W191 PolarHBondContact O-N 3.1Å; F189-G192 PolarHBondContact O-N 3.07Å
190	K	95	Very high	96.3	Very high	213 Å²	213	53.3 Å²	53.3	93%	0.926	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-41.4	178.9	-66.7	-173.5	176.5	-174.7	0	111.9	G192	K190-G192 VanDerWaalsContact C-N 3.32Å
191	W	94.1	Very high	96.3	Very high	66 Å²	66	54.7 Å²	54.7	25%	0.25	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-8.2	176.7	54.2	-99.3	0	0	0	113.9	N153 P154 E167 M186 F189 H193 G194	N153-W191 HydrophobicContact CB-CE3 4.22Å; N153-W191 HydrophobicContact CB-CH2 3.64Å; N153-W191 HydrophobicContact CB-CZ2 3.94Å; N153-W191 HydrophobicContact CB-CZ3 3.77Å; P154-W191 VanDerWaalsContact CD-CD1 3.47Å; P154-W191 VanDerWaalsContact CG-CD1 3.47Å; P154-W191 HydrophobicContact CG-CG 3.96Å; E167-W191 HydrophobicContact CG-CH2 4.1Å; E167-W191 HydrophobicContact CG-CZ3 3.79Å; M186-W191 HydrophobicContact CE-CE3 4.24Å; M186-W191 HydrophobicContact CE-CH2 4.16Å; M186-W191 HydrophobicContact CE-CZ3 3.6Å; F189-W191 HydrophobicContact CB-CD2 4.04Å; F189-W191 HydrophobicContact CB-CG 4.42Å; F189-W191 HydrophobicContact CB-CZ2 4.01Å; F189-W191 AromaticContact CD1-CE2 3.94Å; F189-W191 HydrophobicContact CD1-CH2 4.41Å; F189-W191 AromaticContact CD1-CZ2 3.59Å; F189-W191 HydrophobicContact CD1-CZ2 3.59Å; F189-W191 HydrophobicContact CE1-CZ2 4.24Å; F189-W191 HydrophobicContact CG-CH2 4.37Å; F189-W191 AromaticContact CG-CZ2 3.86Å; F189-W191 HydrophobicContact CG-CZ2 3.86Å; F189-W191 PolarHBondContact O-N 3.1Å; W191-H193 PolarHBondContact O-N 3.39Å; W191-G194 PolarHBondContact O-N 2.89Å; W191-G194 VanDerWaalsContact O-N 3.08Å
192	G	94.4	Very high	96.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.9	-34.4	-165	0	0	0	0	0	114.5	M186 F189 K190 G194 F195	M186-G192 WeakPolarHBondContact CE-O 3.43Å; M186-G192 WeakPolarHBondContact O-CA 3.41Å; F189-G192 PolarHBondContact O-N 3.07Å; K190-G192 VanDerWaalsContact C-N 3.32Å; G192-G194 PolarHBondContact O-N 3.05Å; G192-F195 WeakPolarHBondContact O-CB 3.45Å; G192-F195 PolarHBondContact O-N 3.26Å; G192-F195 VanDerWaalsContact O-N 3.1Å
193	H	92.2	Very high	96.2	Very high	106 Å²	106	56.2 Å²	56.2	49%	0.491	28%	0.283	S	S	.	.	H	α-helix	trans	-57.3	-37.1	174.4	-57.8	88.1	0	0	0	111.7	C187 W191 F195 L196 T197	C187-H193 PolarHBondContact SG-NE2 3.13Å; C187-H193 VanDerWaalsContact SG-NE2 3.36Å; W191-H193 PolarHBondContact O-N 3.39Å; H193-F195 PolarHBondContact O-N 3.3Å; H193-L196 PolarHBondContact O-N 2.89Å; H193-T197 PolarHBondContact O-N 3.07Å; H193-T197 PolarHBondContact O-OG1 2.77Å
194	G	95.6	Very high	96.3	Very high	37 Å²	37	54.2 Å²	54.2	38%	0.381	28%	0.275	S	S	.	.	H	α-helix	trans	-60.9	-28	178.7	0	0	0	0	0	113.5	W191 G192 L198	W191-G194 PolarHBondContact O-N 2.89Å; W191-G194 VanDerWaalsContact O-N 3.08Å; G192-G194 PolarHBondContact O-N 3.05Å; G194-L198 WeakPolarHBondContact O-CB 3.42Å; G194-L198 PolarHBondContact O-N 2.91Å
195	F	98.1	Very high	96.3	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.8	-47.3	178	178.2	-111.9	0	0	0	112.8	L149 A152 L163 E167 A170 A171 M186 G192 H193 N199	L149-F195 HydrophobicContact CD1-CZ 4.36Å; A152-F195 VanDerWaalsContact CB-CA 3.44Å; A152-F195 HydrophobicContact CB-CB 3.82Å; A152-F195 HydrophobicContact CB-CD2 4.13Å; L163-F195 HydrophobicContact CD1-CZ 4.46Å; L163-F195 HydrophobicContact CD2-CE2 3.75Å; L163-F195 HydrophobicContact CD2-CZ 4.34Å; E167-F195 HydrophobicContact CB-CD1 4.26Å; E167-F195 HydrophobicContact CB-CD2 4Å; E167-F195 HydrophobicContact CB-CE1 4.03Å; E167-F195 HydrophobicContact CB-CE2 3.77Å; E167-F195 HydrophobicContact CB-CG 4.24Å; E167-F195 HydrophobicContact CB-CZ 3.78Å; E167-F195 HydrophobicContact CG-CB 4.3Å; E167-F195 HydrophobicContact CG-CD1 4.12Å; E167-F195 HydrophobicContact CG-CD2 3.59Å; E167-F195 HydrophobicContact CG-CE1 4.38Å; E167-F195 HydrophobicContact CG-CE2 3.91Å; E167-F195 HydrophobicContact CG-CG 3.72Å; E167-F195 HydrophobicContact CG-CZ 4.29Å; E167-F195 WeakPolarHBondContact O-CE1 3.49Å; E167-F195 WeakPolarHBondContact OE1-CD2 3.3Å; A170-F195 HydrophobicContact CB-CD1 4.33Å; A170-F195 HydrophobicContact CB-CE1 4.2Å; A171-F195 HydrophobicContact CB-CE1 4.21Å; A171-F195 HydrophobicContact CB-CZ 4.08Å; M186-F195 HydrophobicContact CE-CB 3.81Å; M186-F195 HydrophobicContact CE-CD1 4.33Å; M186-F195 HydrophobicContact CE-CG 4.31Å; M186-F195 HydrophobicContact SD-CD1 4.34Å; G192-F195 WeakPolarHBondContact O-CB 3.45Å; G192-F195 PolarHBondContact O-N 3.26Å; G192-F195 VanDerWaalsContact O-N 3.1Å; H193-F195 PolarHBondContact O-N 3.3Å; F195-N199 WeakPolarHBondContact CD2-ND2 3.38Å; F195-N199 VanDerWaalsContact CE2-ND2 3.34Å; F195-N199 WeakPolarHBondContact CE2-ND2 3.45Å; F195-N199 PolarHBondContact O-N 2.75Å; F195-N199 PolarHBondContact O-ND2 2.82Å
196	L	97	Very high	96.3	Very high	21 Å²	21	54 Å²	54	11%	0.11	27%	0.274	C	S	.	.	H	α-helix	trans	-70.9	-36.1	-178.8	-64.7	179	0	0	0	111.2	Y174 K183 M186 H193 H200 L203	Y174-L196 HydrophobicContact CD2-CD2 3.81Å; Y174-L196 HydrophobicContact CE2-CD2 4.23Å; K183-L196 HydrophobicContact CB-CD1 4.37Å; K183-L196 HydrophobicContact CG-CD1 3.68Å; M186-L196 HydrophobicContact CG-CD1 4.37Å; M186-L196 HydrophobicContact CG-CG 4.3Å; H193-L196 PolarHBondContact O-N 2.89Å; L196-H200 VanDerWaalsContact O-CA 3.3Å; L196-H200 WeakPolarHBondContact O-CA 3.45Å; L196-H200 WeakPolarHBondContact O-CB 3.47Å; L196-H200 PolarHBondContact O-N 2.85Å; L196-H200 VanDerWaalsContact O-N 3.09Å; L196-L203 HydrophobicContact CD2-CD1 3.9Å
197	T	97	Very high	96.3	Very high	111 Å²	111	58 Å²	58	68%	0.681	29%	0.291	S	S	*	.	H	α-helix	trans	-67.3	-48.8	174.7	-56.7	0	0	0	0	111.5	H193 N199 H200	H193-T197 PolarHBondContact O-N 3.07Å; H193-T197 PolarHBondContact O-OG1 2.77Å; T197-N199 VanDerWaalsContact C-N 3.26Å; T197-N199 PolarHBondContact O-N 2.75Å; T197-H200 WeakPolarHBondContact O-CB 3.34Å; T197-H200 PolarHBondContact O-N 3.02Å
198	L	97	Very high	96.3	Very high	65 Å²	65	58.3 Å²	58.3	34%	0.34	30%	0.298	S	S	.	.	H	α-helix	trans	-59.4	-37.1	-178.2	178.3	63.7	0	0	0	112.5	I150 A152 G194	I150-L198 HydrophobicContact CB-CD2 3.95Å; I150-L198 HydrophobicContact CB-CG 4.35Å; I150-L198 HydrophobicContact CG2-CD2 3.75Å; I150-L198 HydrophobicContact CG2-CG 4.5Å; A152-L198 HydrophobicContact CB-CD2 4.05Å; G194-L198 WeakPolarHBondContact O-CB 3.42Å; G194-L198 PolarHBondContact O-N 2.91Å
199	N	97.5	Very high	96.3	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	15.4	-175.6	-63.6	-80.4	0	0	0	113.3	L149 I150 F195 T197 D201 Y202 L203	L149-N199 HydrophobicContact CD2-CB 3.83Å; I150-N199 PolarHBondContact N-OD1 3.28Å; I150-N199 PolarHBondContact O-ND2 2.52Å; F195-N199 WeakPolarHBondContact CD2-ND2 3.38Å; F195-N199 VanDerWaalsContact CE2-ND2 3.34Å; F195-N199 WeakPolarHBondContact CE2-ND2 3.45Å; F195-N199 PolarHBondContact O-N 2.75Å; F195-N199 PolarHBondContact O-ND2 2.82Å; T197-N199 VanDerWaalsContact C-N 3.26Å; T197-N199 PolarHBondContact O-N 2.75Å; N199-D201 VanDerWaalsContact C-N 3.34Å; N199-D201 PolarHBondContact O-N 3.42Å; N199-Y202 HydrophobicContact CB-CD2 4.34Å; N199-Y202 PolarHBondContact O-N 3.06Å; N199-L203 HydrophobicContact CB-CD1 4.03Å; N199-L203 HydrophobicContact CB-CG 4.09Å; N199-L203 WeakPolarHBondContact O-CB 3.38Å; N199-L203 VanDerWaalsContact O-CG 3.26Å; N199-L203 WeakPolarHBondContact O-CG 3.26Å; N199-L203 PolarHBondContact O-N 2.75Å
200	H	97.3	Very high	96.2	Very high	86 Å²	86	63.3 Å²	63.3	40%	0.398	32%	0.322	S	S	.	.	H	α-helix	trans	-52.1	-51.7	-171.1	174.7	-89.6	0	0	0	112.3	L196 T197 Y202 L203 E204	L196-H200 VanDerWaalsContact O-CA 3.3Å; L196-H200 WeakPolarHBondContact O-CA 3.45Å; L196-H200 WeakPolarHBondContact O-CB 3.47Å; L196-H200 PolarHBondContact O-N 2.85Å; L196-H200 VanDerWaalsContact O-N 3.09Å; T197-H200 WeakPolarHBondContact O-CB 3.34Å; T197-H200 PolarHBondContact O-N 3.02Å; H200-Y202 PolarHBondContact O-N 3.07Å; H200-L203 PolarHBondContact O-N 3.01Å; H200-E204 IonicContact NE2-OE1 3.98Å; H200-E204 PolarHBondContact O-N 3.15Å
201	D	96.5	Very high	96.2	Very high	123 Å²	123	55.7 Å²	55.7	66%	0.658	29%	0.293	S	S	*	.	H	α-helix	trans	-67.1	-40.5	-174.7	-59.9	-18.6	0	0	0	111.7	N199 L203 E205	N199-D201 VanDerWaalsContact C-N 3.34Å; N199-D201 PolarHBondContact O-N 3.42Å; D201-L203 PolarHBondContact O-N 3.43Å; D201-E205 WeakPolarHBondContact O-CB 3.39Å; D201-E205 PolarHBondContact O-N 3.11Å
202	Y	96.6	Very high	96.1	Very high	47 Å²	47	54.1 Å²	54.1	18%	0.184	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-44.2	173.8	-54.1	-33.6	0	0	0	111.5	Y148 L149 I150 N199 H200 E205 Y206 N222 Q226	Y148-Y202 HydrophobicContact CD1-CE2 4.47Å; Y148-Y202 HydrophobicContact CE1-CE2 4.08Å; L149-Y202 HydrophobicContact CD2-CD2 4.48Å; I150-Y202 HydrophobicContact CD1-CE2 4.02Å; I150-Y202 HydrophobicContact CG1-CE2 4.24Å; N199-Y202 HydrophobicContact CB-CD2 4.34Å; N199-Y202 PolarHBondContact O-N 3.06Å; H200-Y202 PolarHBondContact O-N 3.07Å; Y202-E205 PolarHBondContact O-N 3.38Å; Y202-Y206 WeakPolarHBondContact O-CB 3.39Å; Y202-Y206 WeakPolarHBondContact O-CD2 3.35Å; Y202-Y206 PolarHBondContact O-N 3.29Å; Y202-N222 HydrophobicContact CD1-CB 4.01Å; Y202-N222 VanDerWaalsContact CD1-ND2 3.3Å; Y202-N222 WeakPolarHBondContact CD1-ND2 3.46Å; Y202-N222 HydrophobicContact CE1-CB 3.82Å; Y202-Q226 PolarHBondContact OH-NE2 3.37Å
203	L	97.4	Very high	96.1	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-68.1	-40.3	-178	-72.1	172.6	0	0	0	112.5	L149 A171 Y174 I175 L196 N199 H200 D201 K207	L149-L203 HydrophobicContact CD1-CD2 4.19Å; L149-L203 HydrophobicContact CD2-CD2 3.96Å; L149-L203 HydrophobicContact CD2-CG 4.18Å; A171-L203 HydrophobicContact CB-CD2 4.3Å; Y174-L203 HydrophobicContact CD1-CB 3.64Å; Y174-L203 HydrophobicContact CD1-CD1 4.39Å; Y174-L203 HydrophobicContact CD1-CD2 4.49Å; Y174-L203 HydrophobicContact CD1-CG 4.4Å; Y174-L203 HydrophobicContact CD2-CD1 4.37Å; Y174-L203 HydrophobicContact CE1-CB 3.74Å; Y174-L203 HydrophobicContact CG-CB 4.28Å; Y174-L203 HydrophobicContact CG-CD1 4.21Å; I175-L203 HydrophobicContact CG1-CD2 4.27Å; L196-L203 HydrophobicContact CD2-CD1 3.9Å; N199-L203 HydrophobicContact CB-CD1 4.03Å; N199-L203 HydrophobicContact CB-CG 4.09Å; N199-L203 WeakPolarHBondContact O-CB 3.38Å; N199-L203 VanDerWaalsContact O-CG 3.26Å; N199-L203 WeakPolarHBondContact O-CG 3.26Å; N199-L203 PolarHBondContact O-N 2.75Å; H200-L203 PolarHBondContact O-N 3.01Å; D201-L203 PolarHBondContact O-N 3.43Å; L203-K207 VanDerWaalsContact O-CB 3.26Å; L203-K207 WeakPolarHBondContact O-CB 3.5Å; L203-K207 PolarHBondContact O-N 2.95Å
204	E	97.5	Very high	96.3	Very high	58 Å²	58	61.3 Å²	61.3	27%	0.271	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-42.8	174	-70.8	-53.5	143.2	0	0	111.6	Y174 K179 H200 K207 A208	Y174-E204 VanDerWaalsContact CE1-OE1 3.26Å; Y174-E204 WeakPolarHBondContact CE1-OE1 3.48Å; Y174-E204 VanDerWaalsContact CZ-OE1 3.28Å; Y174-E204 PolarHBondContact OH-OE1 2.88Å; K179-E204 WeakPolarHBondContact CE-OE1 3.48Å; K179-E204 IonicContact NZ-OE1 2.57Å; K179-E204 PolarHBondContact NZ-OE1 3.27Å; K179-E204 IonicContact NZ-OE2 2.82Å; K179-E204 PolarHBondContact NZ-OE2 3.02Å; H200-E204 IonicContact NE2-OE1 3.98Å; H200-E204 PolarHBondContact O-N 3.15Å; E204-K207 PolarHBondContact O-N 3.29Å; E204-A208 PolarHBondContact O-N 3.26Å
205	E	96.7	Very high	96.2	Very high	49 Å²	49	59.6 Å²	59.6	23%	0.229	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-47.2	177.7	-179.5	171.4	-134.3	0	0	112.1	D201 Y202 K207 A208 C209 A218 R221 N222	D201-E205 WeakPolarHBondContact O-CB 3.39Å; D201-E205 PolarHBondContact O-N 3.11Å; Y202-E205 PolarHBondContact O-N 3.38Å; E205-K207 VanDerWaalsContact C-N 3.32Å; E205-K207 PolarHBondContact O-N 2.89Å; E205-A208 PolarHBondContact O-N 2.94Å; E205-A208 VanDerWaalsContact O-N 3.13Å; E205-C209 PolarHBondContact O-N 3.31Å; E205-C209 PolarHBondContact O-SG 2.92Å; E205-A218 HydrophobicContact CG-CB 3.8Å; E205-R221 IonicContact OE1-CZ 3.52Å; E205-R221 IonicContact OE1-NH1 3.61Å; E205-R221 PolarHBondContact OE1-NH1 3.1Å; E205-R221 IonicContact OE1-NH2 3.09Å; E205-R221 PolarHBondContact OE1-NH2 3.28Å; E205-R221 IonicContact OE2-NH1 2.65Å; E205-N222 PolarHBondContact OE2-ND2 3.31Å; E205-N222 PolarHBondContact OE2-OD1 3.26Å
206	Y	97.2	Very high	95.9	Very high	1 Å²	1	62.6 Å²	62.6	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-64.4	-36.1	177	-64.1	-31.7	0	0	0	112.5	P147 Y148 L149 I175 Y202 A208 C209 M215 A218 N222	P147-Y206 HydrophobicContact CB-CD1 4.23Å; P147-Y206 HydrophobicContact CB-CD2 3.94Å; P147-Y206 HydrophobicContact CB-CE1 3.96Å; P147-Y206 HydrophobicContact CB-CE2 3.64Å; P147-Y206 HydrophobicContact CB-CG 4.25Å; P147-Y206 HydrophobicContact CG-CD1 4.3Å; P147-Y206 HydrophobicContact CG-CD2 3.38Å; P147-Y206 HydrophobicContact CG-CE1 4.42Å; P147-Y206 HydrophobicContact CG-CE2 3.53Å; P147-Y206 HydrophobicContact CG-CG 3.82Å; Y148-Y206 VanDerWaalsContact O-CE2 3.24Å; Y148-Y206 WeakPolarHBondContact O-CE2 3.39Å; Y148-Y206 PolarHBondContact O-OH 3.07Å; Y148-Y206 VanDerWaalsContact O-OH 3.11Å; L149-Y206 HydrophobicContact CD2-CD2 4.37Å; L149-Y206 HydrophobicContact CD2-CE2 4.01Å; L149-Y206 HydrophobicContact CG-CE2 4.39Å; I175-Y206 HydrophobicContact CD1-CD2 4.36Å; Y202-Y206 WeakPolarHBondContact O-CB 3.39Å; Y202-Y206 WeakPolarHBondContact O-CD2 3.35Å; Y202-Y206 PolarHBondContact O-N 3.29Å; Y206-A208 VanDerWaalsContact C-N 3.29Å; Y206-A208 PolarHBondContact O-N 3.23Å; Y206-C209 WeakPolarHBondContact O-CB 3.46Å; Y206-C209 PolarHBondContact O-N 3.41Å; Y206-M215 VanDerWaalsContact CB-SD 3.6Å; Y206-M215 HydrophobicContact CD1-SD 3.39Å; Y206-M215 WeakPolarHBondContact CD1-SD 3.47Å; Y206-M215 HydrophobicContact CE1-SD 4.27Å; Y206-M215 HydrophobicContact CG-SD 3.62Å; Y206-M215 VanDerWaalsContact O-CE 3.28Å; Y206-M215 WeakPolarHBondContact O-CE 3.26Å; Y206-A218 HydrophobicContact CD1-CB 4Å; Y206-A218 HydrophobicContact CE1-CB 3.73Å; Y206-N222 PolarHBondContact OH-ND2 3.34Å
207	K	96.6	Very high	95.8	Very high	86 Å²	86	63.1 Å²	63.1	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-63.7	-34.6	173.4	-179.8	-171.7	169.4	-160.4	0	112	K179 L203 E204 E205 C209	K179-K207 VanDerWaalsContact CE-CD 3.49Å; K179-K207 VanDerWaalsContact CE-NZ 3.34Å; L203-K207 VanDerWaalsContact O-CB 3.26Å; L203-K207 WeakPolarHBondContact O-CB 3.5Å; L203-K207 PolarHBondContact O-N 2.95Å; E204-K207 PolarHBondContact O-N 3.29Å; E205-K207 VanDerWaalsContact C-N 3.32Å; E205-K207 PolarHBondContact O-N 2.89Å; K207-C209 VanDerWaalsContact C-N 3.33Å
208	A	96.7	Very high	95.7	Very high	75 Å²	75	57.9 Å²	57.9	62%	0.62	30%	0.295	S	S	*	.	H	α-helix	trans	-75.3	-20.6	-179.2	0	0	0	0	0	113.6	E204 E205 Y206	E204-A208 PolarHBondContact O-N 3.26Å; E205-A208 PolarHBondContact O-N 2.94Å; E205-A208 VanDerWaalsContact O-N 3.13Å; Y206-A208 VanDerWaalsContact C-N 3.29Å; Y206-A208 PolarHBondContact O-N 3.23Å
209	C	96.2	Very high	95.5	Very high	16 Å²	16	56.7 Å²	56.7	11%	0.108	29%	0.288	C	S	.	.			trans	-64.2	132.4	179.2	-66.1	0	0	0	0	111.8	P109 E205 Y206 K207 E214 M215	P109-C209 WeakPolarHBondContact CG-O 3.5Å; E205-C209 PolarHBondContact O-N 3.31Å; E205-C209 PolarHBondContact O-SG 2.92Å; Y206-C209 WeakPolarHBondContact O-CB 3.46Å; Y206-C209 PolarHBondContact O-N 3.41Å; K207-C209 VanDerWaalsContact C-N 3.33Å; C209-E214 WeakPolarHBondContact CA-OE2 3.32Å; C209-E214 HydrophobicContact CB-CB 4.01Å; C209-M215 HydrophobicContact CB-CB 4.47Å; C209-M215 HydrophobicContact CB-CE 4.07Å
210	K	94.5	Very high	95.3	Very high	168 Å²	168	62.6 Å²	62.6	73%	0.73	31%	0.31	S	S	*	.			trans	-101.7	-17.7	177.7	-63.9	-178.9	-177.3	176.8	0	113.1	E214	K210-E214 PolarHBondContact N-OE2 3.27Å
211	T	94.5	Very high	95	Very high	53 Å²	53	64 Å²	64	33%	0.325	31%	0.312	S	S	.	.	S	Bend	trans	-129.5	156.3	179.9	69.4	0	0	0	0	112	K213 E214 M215	T211-K213 PolarHBondContact O-N 3.06Å; T211-E214 PolarHBondContact O-N 3.41Å; T211-E214 WeakPolarHBondContact OG1-CG 3.3Å; T211-E214 PolarHBondContact OG1-N 3.47Å; T211-M215 PolarHBondContact O-N 3.35Å; T211-M215 VanDerWaalsContact O-N 3.11Å
212	V	92.5	Very high	94.7	Very high	34 Å²	34	58.8 Å²	58.8	21%	0.206	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-33	172.1	-173.8	0	0	0	0	111.6	K108 M215 L216	K108-V212 HydrophobicContact CB-CG2 3.64Å; K108-V212 HydrophobicContact CD-CG2 3.78Å; K108-V212 HydrophobicContact CG-CG2 3.5Å; V212-M215 WeakPolarHBondContact O-CB 3.33Å; V212-M215 PolarHBondContact O-N 2.84Å; V212-L216 HydrophobicContact CG1-CD1 4.21Å; V212-L216 HydrophobicContact CG1-CG 4.41Å; V212-L216 WeakPolarHBondContact O-CG 3.39Å; V212-L216 PolarHBondContact O-N 3.21Å
213	K	94	Very high	94.2	Very high	171 Å²	171	59.6 Å²	59.6	74%	0.743	29%	0.29	S	S	*	.	H	α-helix	trans	-64.9	-42.8	178.7	-173.8	-179.5	177.6	-176.5	0	111.4	T211 L216 A217	T211-K213 PolarHBondContact O-N 3.06Å; K213-L216 PolarHBondContact O-N 3.41Å; K213-A217 WeakPolarHBondContact O-CB 3.39Å; K213-A217 PolarHBondContact O-N 2.98Å
214	E	95.4	Very high	93.2	Very high	85 Å²	85	64.9 Å²	64.9	40%	0.397	32%	0.315	S	S	.	.	H	α-helix	trans	-63.3	-45.7	174.1	-74.3	163.8	-154.4	0	0	111.4	C209 K210 T211 L216 A217 A218	C209-E214 WeakPolarHBondContact CA-OE2 3.32Å; C209-E214 HydrophobicContact CB-CB 4.01Å; K210-E214 PolarHBondContact N-OE2 3.27Å; T211-E214 PolarHBondContact O-N 3.41Å; T211-E214 WeakPolarHBondContact OG1-CG 3.3Å; T211-E214 PolarHBondContact OG1-N 3.47Å; E214-L216 VanDerWaalsContact C-N 3.33Å; E214-L216 PolarHBondContact O-N 2.91Å; E214-A217 WeakPolarHBondContact O-CB 3.42Å; E214-A217 PolarHBondContact O-N 2.66Å; E214-A218 PolarHBondContact O-N 2.64Å
215	M	93.8	Very high	91.5	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-55.6	-47.2	176.8	-172.9	70.7	67.1	0	0	111.7	P109 P147 I175 Y206 C209 T211 V212 A217 A218 Q219	P109-M215 HydrophobicContact CG-CE 4.48Å; P147-M215 HydrophobicContact CB-CG 4.45Å; P147-M215 HydrophobicContact CB-SD 4.13Å; P147-M215 HydrophobicContact CG-SD 4.04Å; I175-M215 HydrophobicContact CG2-CE 4.01Å; Y206-M215 VanDerWaalsContact CB-SD 3.6Å; Y206-M215 HydrophobicContact CD1-SD 3.39Å; Y206-M215 WeakPolarHBondContact CD1-SD 3.47Å; Y206-M215 HydrophobicContact CE1-SD 4.27Å; Y206-M215 HydrophobicContact CG-SD 3.62Å; Y206-M215 VanDerWaalsContact O-CE 3.28Å; Y206-M215 WeakPolarHBondContact O-CE 3.26Å; C209-M215 HydrophobicContact CB-CB 4.47Å; C209-M215 HydrophobicContact CB-CE 4.07Å; T211-M215 PolarHBondContact O-N 3.35Å; T211-M215 VanDerWaalsContact O-N 3.11Å; V212-M215 WeakPolarHBondContact O-CB 3.33Å; V212-M215 PolarHBondContact O-N 2.84Å; M215-A217 VanDerWaalsContact C-N 3.35Å; M215-A217 PolarHBondContact O-N 2.94Å; M215-A218 PolarHBondContact O-N 3.49Å; M215-Q219 WeakPolarHBondContact O-CB 3.4Å; M215-Q219 PolarHBondContact O-N 2.89Å
216	L	93	Very high	89.5	Confident	64 Å²	64	65.1 Å²	65.1	34%	0.335	32%	0.324	S	S	.	.	H	α-helix	trans	-68.7	-31.8	177.5	-68.3	174.6	0	0	0	112.7	C106 V212 K213 E214 R220	C106-L216 HydrophobicContact CB-CD2 4.09Å; V212-L216 HydrophobicContact CG1-CD1 4.21Å; V212-L216 HydrophobicContact CG1-CG 4.41Å; V212-L216 WeakPolarHBondContact O-CG 3.39Å; V212-L216 PolarHBondContact O-N 3.21Å; K213-L216 PolarHBondContact O-N 3.41Å; E214-L216 VanDerWaalsContact C-N 3.33Å; E214-L216 PolarHBondContact O-N 2.91Å; L216-R220 WeakPolarHBondContact O-CG 3.26Å; L216-R220 PolarHBondContact O-N 3.47Å; L216-R220 PolarHBondContact O-NH1 3.06Å
217	A	94.6	Very high	87.2	Confident	32 Å²	32	71.3 Å²	71.3	26%	0.264	36%	0.357	S	S	.	.	H	α-helix	trans	-70.7	-43.7	175.8	0	0	0	0	0	111.9	K213 E214 M215 Q219 R220 R221	K213-A217 WeakPolarHBondContact O-CB 3.39Å; K213-A217 PolarHBondContact O-N 2.98Å; E214-A217 WeakPolarHBondContact O-CB 3.42Å; E214-A217 PolarHBondContact O-N 2.66Å; M215-A217 VanDerWaalsContact C-N 3.35Å; M215-A217 PolarHBondContact O-N 2.94Å; A217-Q219 VanDerWaalsContact C-N 3.33Å; A217-R220 PolarHBondContact O-N 3.24Å; A217-R221 PolarHBondContact O-N 2.86Å; A217-R221 VanDerWaalsContact O-N 3.09Å
218	A	94.2	Very high	84.5	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-58.9	-45.7	171.6	0	0	0	0	0	111.1	E205 Y206 E214 M215 R220 R221 N222	E205-A218 HydrophobicContact CG-CB 3.8Å; Y206-A218 HydrophobicContact CD1-CB 4Å; Y206-A218 HydrophobicContact CE1-CB 3.73Å; E214-A218 PolarHBondContact O-N 2.64Å; M215-A218 PolarHBondContact O-N 3.49Å; A218-R220 PolarHBondContact O-N 2.99Å; A218-R221 PolarHBondContact O-N 3.3Å; A218-N222 WeakPolarHBondContact O-CB 3.37Å; A218-N222 PolarHBondContact O-N 2.82Å; A218-N222 PolarHBondContact O-ND2 2.94Å; A218-N222 PolarHBondContact O-OD1 2.86Å
219	Q	92.6	Very high	82.1	Confident	40 Å²	40	79.4 Å²	79.4	19%	0.187	38%	0.384	C	S	.	.	H	α-helix	trans	-55.8	-48.5	174.5	179.7	176.1	-42.8	0	0	112.7	M215 A217 N222 M223	M215-Q219 WeakPolarHBondContact O-CB 3.4Å; M215-Q219 PolarHBondContact O-N 2.89Å; A217-Q219 VanDerWaalsContact C-N 3.33Å; Q219-N222 PolarHBondContact O-N 3.08Å; Q219-M223 HydrophobicContact CG-CE 3.71Å; Q219-M223 HydrophobicContact CG-SD 3.97Å; Q219-M223 VanDerWaalsContact O-CG 3.3Å; Q219-M223 WeakPolarHBondContact O-CG 3.5Å; Q219-M223 PolarHBondContact O-N 3.34Å
220	R	93.2	Very high	79.3	Confident	126 Å²	126	84 Å²	84	48%	0.475	41%	0.407	S	S	.	.	H	α-helix	trans	-60	-46.5	178.6	-77.4	-171.6	-62.4	-82.3	-0.8	112.2	L216 A217 A218 N222 M223 E224	L216-R220 WeakPolarHBondContact O-CG 3.26Å; L216-R220 PolarHBondContact O-N 3.47Å; L216-R220 PolarHBondContact O-NH1 3.06Å; A217-R220 PolarHBondContact O-N 3.24Å; A218-R220 PolarHBondContact O-N 2.99Å; R220-N222 VanDerWaalsContact C-N 3.3Å; R220-N222 PolarHBondContact O-N 3.27Å; R220-M223 PolarHBondContact O-N 3.19Å; R220-E224 WeakPolarHBondContact O-CG 3.48Å; R220-E224 PolarHBondContact O-N 3.19Å
221	R	92.1	Very high	76.3	Confident	115 Å²	115	79.1 Å²	79.1	43%	0.434	41%	0.405	S	S	.	.	H	α-helix	trans	-58.9	-42	177	-73.5	-172.6	-73	96.7	-7.2	112.2	E205 A217 A218 M223 E224 C225	E205-R221 IonicContact OE1-CZ 3.52Å; E205-R221 IonicContact OE1-NH1 3.61Å; E205-R221 PolarHBondContact OE1-NH1 3.1Å; E205-R221 IonicContact OE1-NH2 3.09Å; E205-R221 PolarHBondContact OE1-NH2 3.28Å; E205-R221 IonicContact OE2-NH1 2.65Å; A217-R221 PolarHBondContact O-N 2.86Å; A217-R221 VanDerWaalsContact O-N 3.09Å; A218-R221 PolarHBondContact O-N 3.3Å; R221-M223 VanDerWaalsContact C-N 3.32Å; R221-M223 PolarHBondContact O-N 3.36Å; R221-E224 PolarHBondContact O-N 3.07Å; R221-C225 PolarHBondContact O-N 3.27Å; R221-C225 PolarHBondContact O-SG 3.21Å; R221-C225 VanDerWaalsContact O-SG 3.35Å
222	N	89.3	Confident	73.3	Confident	14 Å²	14	83 Å²	83	8%	0.075	43%	0.432	C	S	.	.	H	α-helix	trans	-71.5	-29	-178.1	-63.1	-12.8	0	0	0	112.4	Y148 Y202 E205 Y206 A218 Q219 R220	Y148-N222 HydrophobicContact CD1-CB 4.37Å; Y202-N222 HydrophobicContact CD1-CB 4.01Å; Y202-N222 VanDerWaalsContact CD1-ND2 3.3Å; Y202-N222 WeakPolarHBondContact CD1-ND2 3.46Å; Y202-N222 HydrophobicContact CE1-CB 3.82Å; E205-N222 PolarHBondContact OE2-ND2 3.31Å; E205-N222 PolarHBondContact OE2-OD1 3.26Å; Y206-N222 PolarHBondContact OH-ND2 3.34Å; A218-N222 WeakPolarHBondContact O-CB 3.37Å; A218-N222 PolarHBondContact O-N 2.82Å; A218-N222 PolarHBondContact O-ND2 2.94Å; A218-N222 PolarHBondContact O-OD1 2.86Å; Q219-N222 PolarHBondContact O-N 3.08Å; R220-N222 VanDerWaalsContact C-N 3.3Å; R220-N222 PolarHBondContact O-N 3.27Å
223	M	87.2	Confident	70.5	Confident	64 Å²	64	88.3 Å²	88.3	32%	0.315	46%	0.459	S	S	.	.	H	α-helix	trans	-72.4	-47.4	171.5	-69	171.1	164.9	0	0	111.8	Y148 Q219 R220 R221 C225 Q226 D227	Y148-M223 HydrophobicContact CD2-CE 3.81Å; Y148-M223 HydrophobicContact CD2-CG 3.68Å; Y148-M223 HydrophobicContact CE2-CG 4.34Å; Y148-M223 HydrophobicContact CG-CE 4.33Å; Y148-M223 HydrophobicContact CG-CG 4.02Å; Q219-M223 HydrophobicContact CG-CE 3.71Å; Q219-M223 HydrophobicContact CG-SD 3.97Å; Q219-M223 VanDerWaalsContact O-CG 3.3Å; Q219-M223 WeakPolarHBondContact O-CG 3.5Å; Q219-M223 PolarHBondContact O-N 3.34Å; R220-M223 PolarHBondContact O-N 3.19Å; R221-M223 VanDerWaalsContact C-N 3.32Å; R221-M223 PolarHBondContact O-N 3.36Å; M223-C225 VanDerWaalsContact C-N 3.29Å; M223-C225 PolarHBondContact O-N 2.79Å; M223-Q226 WeakPolarHBondContact O-CB 3.06Å; M223-Q226 PolarHBondContact O-N 2.97Å; M223-D227 PolarHBondContact O-N 3.31Å
224	E	76	Confident	67.8	Low	110 Å²	110	90.5 Å²	90.5	51%	0.514	46%	0.462	S	S	.	.	H	α-helix	trans	-61.6	-35.7	-180	-72.4	166.1	-164.1	0	0	112.7	R220 R221 Q226 D227 R228	R220-E224 WeakPolarHBondContact O-CG 3.48Å; R220-E224 PolarHBondContact O-N 3.19Å; R221-E224 PolarHBondContact O-N 3.07Å; E224-Q226 PolarHBondContact O-N 3.45Å; E224-D227 PolarHBondContact O-N 3.46Å; E224-R228 WeakPolarHBondContact O-CG 3.45Å; E224-R228 PolarHBondContact O-N 3.32Å
225	C	61.8	Low	64.9	Low	74 Å²	74	91.7 Å²	91.7	50%	0.5	48%	0.48	S	S	.	.	H	α-helix	trans	-65	-26.7	175.1	-75.1	0	0	0	0	112.8	R221 M223 C229	R221-C225 PolarHBondContact O-N 3.27Å; R221-C225 PolarHBondContact O-SG 3.21Å; R221-C225 VanDerWaalsContact O-SG 3.35Å; M223-C225 VanDerWaalsContact C-N 3.29Å; M223-C225 PolarHBondContact O-N 2.79Å; C225-C229 PolarHBondContact O-N 3.29Å; C225-C229 PolarHBondContact O-SG 2.57Å
226	Q	54.1	Low	62.4	Low	39 Å²	39	99.9 Å²	99.9	18%	0.182	52%	0.516	C	S	.	.	H	α-helix	trans	-79.8	-39.8	176.4	-72.2	-172.5	-7.9	0	0	112.5	Y148 Y202 M223 E224 R228 C229 D230	Y148-Q226 VanDerWaalsContact CZ-CD 3.5Å; Y148-Q226 VanDerWaalsContact CZ-NE2 3.32Å; Y148-Q226 PolarHBondContact OH-NE2 3.48Å; Y148-Q226 PolarHBondContact OH-OE1 3.05Å; Y202-Q226 PolarHBondContact OH-NE2 3.37Å; M223-Q226 WeakPolarHBondContact O-CB 3.06Å; M223-Q226 PolarHBondContact O-N 2.97Å; E224-Q226 PolarHBondContact O-N 3.45Å; Q226-R228 PolarHBondContact O-N 3.09Å; Q226-R228 VanDerWaalsContact O-N 3.07Å; Q226-C229 PolarHBondContact O-N 2.53Å; Q226-D230 WeakPolarHBondContact O-CB 3.3Å; Q226-D230 PolarHBondContact O-N 3.41Å
227	D	49.5	Very low	59.7	Low	130 Å²	130	102.2 Å²	102.2	70%	0.695	54%	0.535	S	S	*	.	H	α-helix	trans	-61.7	-19.6	173.3	-67.3	-30.5	0	0	0	112.3	M223 E224	M223-D227 PolarHBondContact O-N 3.31Å; E224-D227 PolarHBondContact O-N 3.46Å
228	R	39.1	Very low	56.8	Low	224 Å²	224	106.8 Å²	106.8	85%	0.845	57%	0.565	S	S	*	*	H	α-helix	trans	-89.3	-20.3	174.3	-71	-178.9	172.4	-145.4	-2	114.4	E224 Q226	E224-R228 WeakPolarHBondContact O-CG 3.45Å; E224-R228 PolarHBondContact O-N 3.32Å; Q226-R228 PolarHBondContact O-N 3.09Å; Q226-R228 VanDerWaalsContact O-N 3.07Å
229	C	47.6	Very low	54.4	Low	108 Å²	108	111.8 Å²	111.8	73%	0.73	60%	0.6	S	S	*	*	H	α-helix	trans	-104.5	-24.6	-178.2	-67	0	0	0	0	112.6	C225 Q226	C225-C229 PolarHBondContact O-N 3.29Å; C225-C229 PolarHBondContact O-SG 2.57Å; Q226-C229 PolarHBondContact O-N 2.53Å
230	D	37.4	Very low	51.9	Low	111 Å²	111	115.2 Å²	115.2	59%	0.594	63%	0.628	S	S	*	*	S	Bend	trans	-97	107	171.8	-72.8	-52.2	0	0	0	109.1	Q226	Q226-D230 WeakPolarHBondContact O-CB 3.3Å; Q226-D230 PolarHBondContact O-N 3.41Å
231	G	30.9	Very low	49.5	Very low	67 Å²	67	114.2 Å²	114.2	69%	0.691	64%	0.64	S	S	*	*			trans	-48.5	153.2	172	0	0	0	0	0	112.6	N233	G231-N233 PolarHBondContact O-N 3.19Å
232	P	31.7	Very low	47.3	Very low	135 Å²	135	114.1 Å²	114.1	88%	0.877	66%	0.657	S	S	*	*	S	Bend	trans	-74.4	112.4	-142	30.2	-34.5	0	0	0	111.6
233	N	32.5	Very low	45.2	Very low	145 Å²	145	119.2 Å²	119.2	78%	0.775	70%	0.695	S	S	*	*			trans	-158.2	86.8	155.1	-139.4	-24.6	0	0	0	112.9	G231	G231-N233 PolarHBondContact O-N 3.19Å
234	R	37.3	Very low	43.2	Very low	216 Å²	216	126.3 Å²	126.3	82%	0.815	72%	0.724	S	S	*	*			trans	-170.3	74	150.8	-101.6	160.5	-157.8	-94.5	1.9	110	F236	R234-F236 HydrophobicContact CG-CE2 4.38Å
235	S	34.2	Very low	41.8	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	74%	0.74	S	S	*	*			trans	-70.2	128.6	160.2	39.4	0	0	0	0	109.6
236	F	41.8	Very low	41.1	Very low	173 Å²	173	129 Å²	129	76%	0.759	76%	0.755	S	S	*	*			trans	-129.1	147	161.1	-84.2	-75.8	0	0	0	108.9	R234	R234-F236 HydrophobicContact CG-CE2 4.38Å
237	P	37.4	Very low	41.1	Very low	114 Å²	114	133.2 Å²	133.2	74%	0.74	79%	0.789	S	S	*	*			trans	-76.8	144.6	-145.9	29.1	-34	0	0	0	113.3	S239	P237-S239 PolarHBondContact O-N 3.46Å
238	S	34	Very low	41.2	Very low	128 Å²	128	132.5 Å²	132.5	90%	0.895	79%	0.794	S	S	*	*			trans	-63	124.6	172.7	58.2	0	0	0	0	110
239	S	42.1	Very low	42.2	Very low	105 Å²	105	127 Å²	127	73%	0.734	79%	0.79	S	S	*	*			trans	-108.9	120.6	169.1	41.6	0	0	0	0	109.3	P237	P237-S239 PolarHBondContact O-N 3.46Å
240	S	41	Very low	42.6	Very low	111 Å²	111	127.4 Å²	127.4	78%	0.776	79%	0.794	S	S	*	*			trans	59.1	113	149.3	61.9	0	0	0	0	120.2
241	S	43.5	Very low	43.8	Very low	105 Å²	105	127.5 Å²	127.5	73%	0.734	80%	0.804	S	S	*	*				178.7	102.9	107.9	52	0	0	0	0	108.6
242	S	44.7	Very low	45.4	Very low	113 Å²	113	131.6 Å²	131.6	79%	0.79	81%	0.81	S	S	*	*				54.8	97.2	93.8	63.6	0	0	0	0	114.8
243	S	46.6	Very low	47	Very low	122 Å²	122	130 Å²	130	85%	0.853	80%	0.802	S	S	*	*			trans	-158.3	109.8	139.4	-9.5	0	0	0	0	109.2
244	K	43.7	Very low	48.2	Very low	213 Å²	213	134.5 Å²	134.5	93%	0.926	83%	0.826	S	S	*	*			trans	-79.5	132.8	164.3	-72.7	175.1	172.3	179.3	0	107.7
245	S	46.9	Very low	48.7	Very low	122 Å²	122	130.4 Å²	130.4	85%	0.853	83%	0.826	S	S	*	*			trans	-142.4	118.1	149.7	50.7	0	0	0	0	108.8
246	S	48.3	Very low	49.5	Very low	118 Å²	118	131.5 Å²	131.5	83%	0.825	83%	0.829	S	S	*	*			trans	-97.6	132.3	175.8	46.6	0	0	0	0	108.9
247	S	54.1	Low	49.9	Very low	128 Å²	128	129.2 Å²	129.2	90%	0.895	83%	0.833	S	S	*	*			trans	-151.7	112.3	154.7	55.1	0	0	0	0	109.4
248	S	51.6	Low	50.7	Low	115 Å²	115	130.1 Å²	130.1	80%	0.804	84%	0.839	S	S	*	*			trans	-101.8	134.7	177.3	49.1	0	0	0	0	110.3
249	S	58.3	Low	51.7	Low	109 Å²	109	130.2 Å²	130.2	76%	0.762	84%	0.835	S	S	*	*			trans	167.2	101	145.8	51.2	0	0	0	0	108.3
250	S	57.4	Low	52.4	Low	115 Å²	115	131.9 Å²	131.9	80%	0.804	84%	0.842	S	S	*	*				52.3	137.8	83	48.7	0	0	0	0	117.5
251	S	61.6	Low	53.2	Low	114 Å²	114	133.4 Å²	133.4	80%	0.797	85%	0.846	S	S	*	*			trans	93	114.6	170.9	-53.1	0	0	0	0	115.6
252	D	65.7	Low	53.9	Low	153 Å²	153	135.5 Å²	135.5	82%	0.818	86%	0.855	S	S	*	*			cis	104	136.7	47.5	-112.3	-52.8	0	0	0	112.4
253	S	64.7	Low	54.7	Low	102 Å²	102	137.4 Å²	137.4	71%	0.713	86%	0.86	S	S	*	*			trans	75.3	131.6	168.8	-43.1	0	0	0	0	116.5
254	D	57.6	Low	55.4	Low	238 Å²	238	138.8 Å²	138.8	100%	1.273	86%	0.861	S	S	*	*			cis	-135.1	0	11.8	-87.7	-72.4	0	0	0	111.2

Retrieved 254 of 254 residues in 58.8 ms (Link to these results)

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