A0A077YZB0_TRITR Loading...

TCR domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZB0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 371 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	48.5	Very low	47.1	Very low	236 Å²	236	133.3 Å²	133.3	100%	1.163	82%	0.817	S	S	*	*				0	122.7	0	-73.4	161	165.9	0	0	107.2
2	N	45.2	Very low	46.5	Very low	159 Å²	159	135.7 Å²	135.7	85%	0.85	82%	0.821	S	S	*	*			trans	24.5	139.4	161.1	-57	12.3	0	0	0	120.5
3	S	50.5	Low	45.5	Very low	110 Å²	110	131.7 Å²	131.7	77%	0.769	81%	0.811	S	S	*	*			cis	-176.9	148.5	-12.5	40.3	0	0	0	0	109
4	S	45.8	Very low	45.1	Very low	115 Å²	115	133.1 Å²	133.1	80%	0.804	82%	0.819	S	S	*	*			trans	-83.5	156.6	179.5	-48.6	0	0	0	0	114.4
5	V	61.2	Low	44.3	Very low	140 Å²	140	131.1 Å²	131.1	85%	0.848	81%	0.812	S	S	*	*			trans	-147.7	127	150.4	-71.7	0	0	0	0	105.5
6	D	45.1	Very low	43.8	Very low	144 Å²	144	129.4 Å²	129.4	77%	0.77	81%	0.807	S	S	*	*			cis	70.1	132.4	24.4	-153.1	74.2	0	0	0	114.6
7	S	47.2	Very low	43.2	Very low	101 Å²	101	128.2 Å²	128.2	71%	0.706	80%	0.804	S	S	*	*			cis	-164.9	166.8	-26.3	-99.1	0	0	0	0	109
8	G	44.3	Very low	42.5	Very low	63 Å²	63	134.7 Å²	134.7	65%	0.649	81%	0.811	S	S	*	*			trans	96.3	126.9	150	0	0	0	0	0	118.2
9	H	45.1	Very low	41.7	Very low	197 Å²	197	133.5 Å²	133.5	91%	0.912	81%	0.809	S	S	*	*				-160.3	127.1	99.4	-95.9	81.9	0	0	0	110.6
10	S	42.2	Very low	41	Very low	117 Å²	117	134.1 Å²	134.1	82%	0.818	81%	0.813	S	S	*	*			trans	-74.2	172.4	157.8	-49.2	0	0	0	0	108.9
11	A	42.7	Very low	40.6	Very low	84 Å²	84	134 Å²	134	69%	0.694	81%	0.812	S	S	*	*			cis	-146.9	-162.6	10.8	0	0	0	0	0	108.3
12	D	40	Very low	39.8	Very low	162 Å²	162	127 Å²	127	87%	0.866	79%	0.792	S	S	*	*			cis	-155	-176.1	5.1	-143.9	-37.3	0	0	0	110.6
13	A	33.6	Very low	39.1	Very low	84 Å²	84	126.8 Å²	126.8	69%	0.694	79%	0.791	S	S	*	*			trans	-122.6	136.3	178.8	0	0	0	0	0	113.6
14	V	39.7	Very low	38.2	Very low	151 Å²	151	125.5 Å²	125.5	92%	0.915	80%	0.795	S	S	*	*			trans	-135.5	125.9	157.4	-177.1	0	0	0	0	109.7
15	S	33.3	Very low	37.6	Very low	103 Å²	103	125.5 Å²	125.5	72%	0.72	80%	0.795	S	S	*	*			trans	-95.6	140.7	175.1	172	0	0	0	0	110.6
16	S	36.4	Very low	36.2	Very low	105 Å²	105	127 Å²	127	73%	0.734	80%	0.797	S	S	*	*				176	132.1	129.5	-83.7	0	0	0	0	115.5
17	S	33	Very low	35.6	Very low	108 Å²	108	124.5 Å²	124.5	76%	0.755	80%	0.796	S	S	*	*			trans	65.7	103.5	134.1	-57.2	0	0	0	0	122.8
18	R	30.3	Very low	34.9	Very low	245 Å²	245	124.5 Å²	124.5	93%	0.925	80%	0.802	S	S	*	*				33.2	120.8	129	-66	176.5	163.4	-171.1	-5.1	119.7
19	S	28.7	Very low	34.4	Very low	112 Å²	112	125.8 Å²	125.8	78%	0.783	81%	0.807	S	S	*	*				173.6	137.1	101.8	52.9	0	0	0	0	116.1
20	V	27.6	Very low	33.7	Very low	146 Å²	146	121.5 Å²	121.5	89%	0.885	81%	0.805	S	S	*	*			trans	47.5	141.8	138.2	-170.5	0	0	0	0	122.4
21	V	33.2	Very low	33.4	Very low	131 Å²	131	122.4 Å²	122.4	79%	0.794	81%	0.806	S	S	*	*			trans	-89.3	145.4	-173.5	178.4	0	0	0	0	113.6
22	A	30.8	Very low	33.1	Very low	90 Å²	90	123.3 Å²	123.3	74%	0.744	81%	0.807	S	S	*	*			trans	-155.8	114.4	153.5	0	0	0	0	0	115.5
23	N	30.2	Very low	33	Very low	155 Å²	155	122 Å²	122	83%	0.829	81%	0.807	S	S	*	*			trans	27.2	102.6	144.1	-55.6	-20.5	0	0	0	120.7
24	G	31.8	Very low	33.1	Very low	82 Å²	82	122.1 Å²	122.1	85%	0.845	81%	0.808	S	S	*	*			trans	-79.7	126.9	166.4	0	0	0	0	0	113.5
25	S	32.7	Very low	32.8	Very low	115 Å²	115	120.7 Å²	120.7	80%	0.804	80%	0.802	S	S	*	*			trans	-96.1	132.2	170.5	-62.7	0	0	0	0	110.4
26	I	33.2	Very low	33	Very low	172 Å²	172	122 Å²	122	88%	0.882	81%	0.811	S	S	*	*			trans	-97.4	114.6	178	-52.2	173.6	0	0	0	108.7
27	A	30.8	Very low	33.2	Very low	91 Å²	91	120.8 Å²	120.8	75%	0.752	82%	0.815	S	S	*	*			trans	-104.5	115.8	171.7	0	0	0	0	0	109.8
28	A	32.9	Very low	33.4	Very low	102 Å²	102	124.2 Å²	124.2	84%	0.843	82%	0.819	S	S	*	*			trans	-91.3	109	169.5	0	0	0	0	0	109.1
29	A	33.4	Very low	33.6	Very low	90 Å²	90	118.3 Å²	118.3	74%	0.744	81%	0.813	S	S	*	*			trans	-75.9	129.3	172.5	0	0	0	0	0	110.2	V31	A29-V31 PolarHBondContact O-N 3.05Å
30	A	30.3	Very low	33.7	Very low	106 Å²	106	121 Å²	121	88%	0.876	82%	0.817	S	S	*	*			trans	-74	107.8	172.7	0	0	0	0	0	109.6
31	V	36.6	Very low	34.1	Very low	137 Å²	137	124 Å²	124	83%	0.83	81%	0.813	S	S	*	*			trans	-86.2	131.4	168.9	178.1	0	0	0	0	108.6	A29	A29-V31 PolarHBondContact O-N 3.05Å
32	S	37.7	Very low	34.1	Very low	103 Å²	103	121.9 Å²	121.9	72%	0.72	80%	0.803	S	S	*	*			trans	-52.2	151.5	-177	-51.7	0	0	0	0	113.7	A34	S32-A34 PolarHBondContact O-N 3.33Å; S32-A34 VanDerWaalsContact O-N 3.1Å
33	P	37	Very low	34.4	Very low	133 Å²	133	122.5 Å²	122.5	86%	0.864	80%	0.797	S	S	*	*			trans	-67.2	111.6	179.9	27.8	-34.1	0	0	0	111.1
34	A	35.5	Very low	34.7	Very low	88 Å²	88	118.6 Å²	118.6	73%	0.727	78%	0.779	S	S	*	*			trans	-75	147.7	168.3	0	0	0	0	0	110.7	S32	S32-A34 PolarHBondContact O-N 3.33Å; S32-A34 VanDerWaalsContact O-N 3.1Å
35	P	34.4	Very low	34.7	Very low	121 Å²	121	119.8 Å²	119.8	79%	0.786	77%	0.77	S	S	*	*			trans	-65	157.1	179.8	27.7	-34.9	0	0	0	112.3	G37	P35-G37 PolarHBondContact O-N 2.83Å
36	S	37.1	Very low	35	Very low	129 Å²	129	116.6 Å²	116.6	90%	0.902	75%	0.747	S	S	*	*	S	Bend	trans	-43.1	127.2	-172.4	53.6	0	0	0	0	115.6
37	G	40.7	Very low	35.4	Very low	81 Å²	81	113.6 Å²	113.6	84%	0.835	75%	0.749	S	S	*	*	S	Bend	trans	139.7	-13.2	155	0	0	0	0	0	118.3	P35	P35-G37 PolarHBondContact O-N 2.83Å
38	Q	36.3	Very low	36.2	Very low	179 Å²	179	116.9 Å²	116.9	84%	0.836	75%	0.753	S	S	*	*	S	Bend	trans	-110.9	147.4	-174.4	-66.5	-169.2	3.3	0	0	114	L40	Q38-L40 PolarHBondContact O-N 2.84Å
39	P	34.9	Very low	36.5	Very low	121 Å²	121	113.3 Å²	113.3	79%	0.786	73%	0.727	S	S	*	*			trans	-68.4	130.2	178.6	28.1	-34.1	0	0	0	111.2	R41	P39-R41 PolarHBondContact O-N 3.47Å
40	L	31.9	Very low	36.9	Very low	168 Å²	168	114.4 Å²	114.4	88%	0.88	73%	0.726	S	S	*	*			trans	-58.2	118.5	178.6	-66.6	173.7	0	0	0	110.9	Q38	Q38-L40 PolarHBondContact O-N 2.84Å
41	R	35.1	Very low	37.4	Very low	210 Å²	210	111.3 Å²	111.3	79%	0.792	70%	0.697	S	S	*	*			trans	-98.3	91.2	177.7	-145.4	-177.1	-164.8	168	8.8	109.9	P39 V43	P39-R41 PolarHBondContact O-N 3.47Å; R41-V43 PolarHBondContact O-N 2.82Å
42	C	33.7	Very low	37.6	Very low	86 Å²	86	113.7 Å²	113.7	58%	0.581	70%	0.696	S	S	*	*			trans	-69.7	118.6	171.8	-54.1	0	0	0	0	109.4
43	V	36.5	Very low	37.7	Very low	104 Å²	104	111.2 Å²	111.2	63%	0.63	67%	0.674	S	S	*	*			trans	-97.4	122	168.2	179.9	0	0	0	0	107.5	R41	R41-V43 PolarHBondContact O-N 2.82Å
44	V	35.5	Very low	37.7	Very low	72 Å²	72	113.2 Å²	113.2	44%	0.436	67%	0.672	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.9	114.2	172.6	-179.1	0	0	0	0	107.5	V51 L53	V44-V51 PolarHBondContact O-N 3.33Å; V44-V51 VanDerWaalsContact O-N 3.12Å; V44-L53 HydrophobicContact CG2-CD1 3.9Å
45	T	33.5	Very low	37.9	Very low	107 Å²	107	114 Å²	114	66%	0.656	68%	0.679	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.5	127.1	170.1	42.5	0	0	0	0	109.1
46	S	37.8	Very low	38.2	Very low	48 Å²	48	115.2 Å²	115.2	34%	0.336	68%	0.678	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.4	168.3	167.6	72	0	0	0	0	109.4	D48 G49	S46-D48 PolarHBondContact O-N 3.22Å; S46-D48 PolarHBondContact OG-N 2.85Å; S46-G49 PolarHBondContact N-O 3Å; S46-G49 VanDerWaalsContact N-O 3.08Å; S46-G49 PolarHBondContact O-N 3.44Å; S46-G49 VanDerWaalsContact O-N 3.13Å; S46-G49 PolarHBondContact OG-N 2.91Å; S46-G49 PolarHBondContact OG-O 3.24Å
47	A	42.2	Very low	38.3	Very low	110 Å²	110	114.7 Å²	114.7	91%	0.909	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-25.1	170.8	0	0	0	0	0	112.1	G49	A47-G49 VanDerWaalsContact C-N 3.29Å; A47-G49 PolarHBondContact O-N 3.07Å
48	D	47.5	Very low	38.2	Very low	159 Å²	159	119.8 Å²	119.8	85%	0.85	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	11.5	179.2	-46.5	-65.2	0	0	0	113.3	S46	S46-D48 PolarHBondContact O-N 3.22Å; S46-D48 PolarHBondContact OG-N 2.85Å
49	G	39.7	Very low	38.4	Very low	28 Å²	28	116.5 Å²	116.5	29%	0.289	66%	0.662	S	S	.	*	E	Extended strand (participates in β ladder)	trans	105.5	-172.5	177.3	0	0	0	0	0	115.3	S46 A47 V51	S46-G49 PolarHBondContact N-O 3Å; S46-G49 VanDerWaalsContact N-O 3.08Å; S46-G49 PolarHBondContact O-N 3.44Å; S46-G49 VanDerWaalsContact O-N 3.13Å; S46-G49 PolarHBondContact OG-N 2.91Å; S46-G49 PolarHBondContact OG-O 3.24Å; A47-G49 VanDerWaalsContact C-N 3.29Å; A47-G49 PolarHBondContact O-N 3.07Å; G49-V51 PolarHBondContact O-N 3.25Å
50	P	40.8	Very low	38.6	Very low	112 Å²	112	116 Å²	116	73%	0.727	67%	0.668	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76.6	115.5	-172.7	29.4	-33.8	0	0	0	112.3	K52	P50-K52 PolarHBondContact O-N 3.42Å
51	V	41.3	Very low	39	Very low	42 Å²	42	112.8 Å²	112.8	26%	0.255	66%	0.66	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.6	116.7	179.7	-174.3	0	0	0	0	110.4	V44 G49 L53 T75	V44-V51 PolarHBondContact O-N 3.33Å; V44-V51 VanDerWaalsContact O-N 3.12Å; G49-V51 PolarHBondContact O-N 3.25Å; V51-L53 PolarHBondContact O-N 3.41Å; V51-T75 HydrophobicContact CG1-CG2 4.44Å
52	K	41.6	Very low	39.2	Very low	186 Å²	186	108.4 Å²	108.4	81%	0.809	66%	0.657	S	S	*	*			trans	-83.4	93.8	-177.7	-165.5	175.1	-173.5	175.9	0	111.1	P50	P50-K52 PolarHBondContact O-N 3.42Å
53	L	37.9	Very low	39.3	Very low	51 Å²	51	110.2 Å²	110.2	27%	0.267	67%	0.668	S	S	.	*	P	Polyproline II helix	trans	-72.5	131.1	177	-73.2	164.3	0	0	0	112	V44 V51	V44-L53 HydrophobicContact CG2-CD1 3.9Å; V51-L53 PolarHBondContact O-N 3.41Å
54	Q	38.8	Very low	39.2	Very low	175 Å²	175	115.4 Å²	115.4	82%	0.818	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-98.2	131	166	-75.9	-175.4	-15.9	0	0	109.9	L56	Q54-L56 PolarHBondContact O-N 3.26Å
55	A	39.1	Very low	39	Very low	106 Å²	106	123.9 Å²	123.9	88%	0.876	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-79.4	118	172.2	0	0	0	0	0	109.9
56	L	39.8	Very low	39.4	Very low	145 Å²	145	124.2 Å²	124.2	76%	0.759	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-81	131.8	169.3	-68.4	170.7	0	0	0	109.3	Q54	Q54-L56 PolarHBondContact O-N 3.26Å
57	S	39.6	Very low	39.6	Very low	118 Å²	118	130.2 Å²	130.2	83%	0.825	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-66.9	151.1	-178	39.4	0	0	0	0	112.5
58	R	38.9	Very low	39.7	Very low	188 Å²	188	130.3 Å²	130.3	71%	0.709	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-66.2	138.5	-178.9	-69.3	171.5	72.8	-174.5	5.2	110.8
59	P	39.7	Very low	39.5	Very low	110 Å²	110	125 Å²	125	71%	0.714	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-65.8	137.4	167.5	28.7	-33.5	0	0	0	110.3	S61	P59-S61 VanDerWaalsContact C-N 3.3Å; P59-S61 PolarHBondContact O-N 2.77Å
60	A	39.9	Very low	39.9	Very low	110 Å²	110	129.3 Å²	129.3	91%	0.909	71%	0.706	S	S	*	*	S	Bend	trans	-83.5	56.4	-168.8	0	0	0	0	0	114.1
61	S	39.4	Very low	39.9	Very low	102 Å²	102	129.3 Å²	129.3	71%	0.713	70%	0.697	S	S	*	*			trans	-167.6	92.6	170.5	48.3	0	0	0	0	113.4	P59	P59-S61 VanDerWaalsContact C-N 3.3Å; P59-S61 PolarHBondContact O-N 2.77Å
62	T	40.3	Very low	39.9	Very low	118 Å²	118	130.3 Å²	130.3	72%	0.724	70%	0.701	S	S	*	*			trans	-168	140.7	155.5	18	0	0	0	0	111
63	P	35.2	Very low	39.8	Very low	124 Å²	124	130 Å²	130	81%	0.805	69%	0.694	S	S	*	*			trans	-79.8	163	-176.8	32.5	-35.3	0	0	0	113.9	R65	P63-R65 PolarHBondContact O-N 2.59Å; P63-R65 VanDerWaalsContact O-N 3.16Å
64	K	34.2	Very low	40.5	Very low	213 Å²	213	129.9 Å²	129.9	93%	0.926	70%	0.696	S	S	*	*	S	Bend	trans	-71.1	97.5	-173.5	-61	171.3	179.4	175.6	0	113.2
65	R	32.9	Very low	41	Very low	249 Å²	249	128 Å²	128	94%	0.94	70%	0.697	S	S	*	*			trans	169.4	98.1	144.7	-102	170.8	141.8	-174.6	-6.3	112.8	P63	P63-R65 PolarHBondContact O-N 2.59Å; P63-R65 VanDerWaalsContact O-N 3.16Å
66	S	40.2	Very low	42	Very low	115 Å²	115	127.2 Å²	127.2	80%	0.804	68%	0.678	S	S	*	*	S	Bend	trans	-177.7	156.6	142.4	55.5	0	0	0	0	109.7
67	H	43.2	Very low	42.6	Very low	173 Å²	173	122.8 Å²	122.8	80%	0.801	67%	0.667	S	S	*	*			trans	-62.7	143.4	-166.6	-68.3	-107.6	0	0	0	113.5	A69	H67-A69 PolarHBondContact O-N 2.93Å
68	H	43.6	Very low	43.1	Very low	112 Å²	112	125.5 Å²	125.5	52%	0.519	66%	0.659	S	S	.	*			trans	-64.1	93.5	-174.6	-95	-88.7	0	0	0	113.1	F70 P84	H68-F70 HydrophobicContact CB-CE2 4.44Å; H68-F70 AromaticContact CE1-CE2 3.79Å; H68-F70 AromaticContact CE1-CZ 3.88Å; H68-F70 AromaticContact ND1-CD2 3.89Å; H68-F70 AromaticContact ND1-CE2 3.1Å; H68-F70 WeakPolarHBondContact ND1-CE2 3.27Å; H68-F70 AromaticContact ND1-CZ 3.56Å; H68-P84 WeakPolarHBondContact O-CD 3.23Å
69	A	44.1	Very low	43.7	Very low	49 Å²	49	119.9 Å²	119.9	41%	0.405	65%	0.649	S	S	.	*			trans	-89.5	128.3	156	0	0	0	0	0	109.1	H67 Y81 V82	H67-A69 PolarHBondContact O-N 2.93Å; A69-Y81 HydrophobicContact CB-CD1 4.13Å; A69-Y81 HydrophobicContact CB-CE1 4.35Å; A69-V82 WeakPolarHBondContact CA-O 3.19Å
70	F	48.3	Very low	43.9	Very low	118 Å²	118	117.9 Å²	117.9	52%	0.518	63%	0.634	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.3	136.6	172	-85.8	-79	0	0	0	110.5	H68 V82	H68-F70 HydrophobicContact CB-CE2 4.44Å; H68-F70 AromaticContact CE1-CE2 3.79Å; H68-F70 AromaticContact CE1-CZ 3.88Å; H68-F70 AromaticContact ND1-CD2 3.89Å; H68-F70 AromaticContact ND1-CE2 3.1Å; H68-F70 WeakPolarHBondContact ND1-CE2 3.27Å; H68-F70 AromaticContact ND1-CZ 3.56Å; F70-V82 PolarHBondContact N-O 3.5Å; F70-V82 PolarHBondContact O-N 3.45Å
71	M	40.8	Very low	44.2	Very low	112 Å²	112	120.3 Å²	120.3	55%	0.552	62%	0.621	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.3	132	166.4	-76.1	-164.9	-64	0	0	110	V80 Y81	M71-V80 CarbonylContact C-O 3.54Å; M71-V80 WeakPolarHBondContact CA-O 3.47Å; M71-Y81 HydrophobicContact CG-CD1 4.18Å; M71-Y81 HydrophobicContact CG-CD2 3.88Å; M71-Y81 HydrophobicContact CG-CE1 3.82Å; M71-Y81 HydrophobicContact CG-CE2 3.48Å; M71-Y81 VanDerWaalsContact CG-CE2 3.48Å; M71-Y81 HydrophobicContact CG-CG 4.22Å; M71-Y81 VanDerWaalsContact CG-CZ 3.45Å; M71-Y81 HydrophobicContact SD-CD2 4.34Å; M71-Y81 HydrophobicContact SD-CE2 3.53Å; M71-Y81 VanDerWaalsContact SD-CE2 3.53Å
72	L	40.1	Very low	44.5	Very low	62 Å²	62	118.8 Å²	118.8	33%	0.325	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107	135.5	165.4	-62.2	175.7	0	0	0	108.8	S79 V80 V82	L72-S79 WeakPolarHBondContact O-CA 2.96Å; L72-V80 PolarHBondContact N-O 2.79Å; L72-V80 PolarHBondContact O-N 3.39Å; L72-V82 HydrophobicContact CD1-CG2 3.95Å; L72-V82 HydrophobicContact CG-CG2 4.44Å
73	R	40.9	Very low	44.4	Very low	179 Å²	179	117.1 Å²	117.1	68%	0.675	60%	0.6	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.9	132.6	165	-97.2	-175.6	177.3	175.1	-0.7	109.3	R78	R73-R78 WeakPolarHBondContact CA-O 3.14Å
74	T	51.8	Low	44.5	Very low	50 Å²	50	115.7 Å²	115.7	31%	0.307	59%	0.591	S	S	.	*			trans	-86.9	164.6	170.9	58.3	0	0	0	0	110.5	D76 G77 R78 V80	T74-D76 VanDerWaalsContact C-N 3.26Å; T74-D76 WeakPolarHBondContact CB-OD1 3.24Å; T74-D76 PolarHBondContact O-N 3.12Å; T74-D76 PolarHBondContact OG1-OD1 3.35Å; T74-G77 PolarHBondContact O-N 3.31Å; T74-R78 PolarHBondContact N-O 3.2Å; T74-R78 WeakPolarHBondContact OG1-CA 3.44Å; T74-R78 WeakPolarHBondContact OG1-CB 3.43Å; T74-R78 PolarHBondContact OG1-N 3.42Å; T74-R78 VanDerWaalsContact OG1-N 3.08Å; T74-R78 PolarHBondContact OG1-O 3.42Å; T74-V80 HydrophobicContact CG2-CG2 4.22Å
75	T	49.3	Very low	44.7	Very low	135 Å²	135	112.2 Å²	112.2	83%	0.828	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-25.3	179.6	43.1	0	0	0	0	113.2	V51 G77	V51-T75 HydrophobicContact CG1-CG2 4.44Å; T75-G77 PolarHBondContact O-N 3.28Å
76	D	60.9	Low	44.7	Very low	90 Å²	90	104.7 Å²	104.7	48%	0.481	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.8	12.6	170.6	68.2	-38.7	0	0	0	113.5	T74 R78	T74-D76 VanDerWaalsContact C-N 3.26Å; T74-D76 WeakPolarHBondContact CB-OD1 3.24Å; T74-D76 PolarHBondContact O-N 3.12Å; T74-D76 PolarHBondContact OG1-OD1 3.35Å; D76-R78 VanDerWaalsContact C-N 3.32Å; D76-R78 PolarHBondContact O-N 3.1Å; D76-R78 VanDerWaalsContact OD2-CD 3.24Å; D76-R78 WeakPolarHBondContact OD2-CD 3.44Å; D76-R78 WeakPolarHBondContact OD2-CG 3.32Å; D76-R78 IonicContact OD2-CZ 2.76Å; D76-R78 VanDerWaalsContact OD2-CZ 3.27Å; D76-R78 IonicContact OD2-NE 3.08Å; D76-R78 PolarHBondContact OD2-NE 3.46Å; D76-R78 IonicContact OD2-NH1 3.84Å; D76-R78 PolarHBondContact OD2-NH1 3.46Å
77	G	50.9	Low	44.5	Very low	51 Å²	51	105.3 Å²	105.3	53%	0.526	57%	0.574	S	S	.	*	S	Bend	trans	79.2	3.2	171.3	0	0	0	0	0	115.9	T74 T75	T74-G77 PolarHBondContact O-N 3.31Å; T75-G77 PolarHBondContact O-N 3.28Å
78	R	50.6	Low	44.1	Very low	176 Å²	176	104.5 Å²	104.5	66%	0.664	57%	0.571	S	S	*	*			trans	-71.4	149.8	173.4	-61.3	178.1	169.7	129.9	-8.7	110.4	R73 T74 D76	R73-R78 WeakPolarHBondContact CA-O 3.14Å; T74-R78 PolarHBondContact N-O 3.2Å; T74-R78 WeakPolarHBondContact OG1-CA 3.44Å; T74-R78 WeakPolarHBondContact OG1-CB 3.43Å; T74-R78 PolarHBondContact OG1-N 3.42Å; T74-R78 VanDerWaalsContact OG1-N 3.08Å; T74-R78 PolarHBondContact OG1-O 3.42Å; D76-R78 VanDerWaalsContact C-N 3.32Å; D76-R78 PolarHBondContact O-N 3.1Å; D76-R78 VanDerWaalsContact OD2-CD 3.24Å; D76-R78 WeakPolarHBondContact OD2-CD 3.44Å; D76-R78 WeakPolarHBondContact OD2-CG 3.32Å; D76-R78 IonicContact OD2-CZ 2.76Å; D76-R78 VanDerWaalsContact OD2-CZ 3.27Å; D76-R78 IonicContact OD2-NE 3.08Å; D76-R78 PolarHBondContact OD2-NE 3.46Å; D76-R78 IonicContact OD2-NH1 3.84Å; D76-R78 PolarHBondContact OD2-NH1 3.46Å
79	S	50.7	Low	43.6	Very low	70 Å²	70	107.2 Å²	107.2	49%	0.49	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.7	120.1	177.5	-57.5	0	0	0	0	108.9	L72	L72-S79 WeakPolarHBondContact O-CA 2.96Å
80	V	44.9	Very low	42.8	Very low	67 Å²	67	114.8 Å²	114.8	41%	0.406	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.2	126.6	-177.2	-177.9	0	0	0	0	108.8	M71 L72 T74 V82	M71-V80 CarbonylContact C-O 3.54Å; M71-V80 WeakPolarHBondContact CA-O 3.47Å; L72-V80 PolarHBondContact N-O 2.79Å; L72-V80 PolarHBondContact O-N 3.39Å; T74-V80 HydrophobicContact CG2-CG2 4.22Å; V80-V82 HydrophobicContact CG1-CG2 4.3Å
81	Y	46.3	Very low	42	Very low	161 Å²	161	114.9 Å²	114.9	63%	0.631	61%	0.614	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88	127.8	171.6	-95	-92.3	0	0	0	110.1	A69 M71	A69-Y81 HydrophobicContact CB-CD1 4.13Å; A69-Y81 HydrophobicContact CB-CE1 4.35Å; M71-Y81 HydrophobicContact CG-CD1 4.18Å; M71-Y81 HydrophobicContact CG-CD2 3.88Å; M71-Y81 HydrophobicContact CG-CE1 3.82Å; M71-Y81 HydrophobicContact CG-CE2 3.48Å; M71-Y81 VanDerWaalsContact CG-CE2 3.48Å; M71-Y81 HydrophobicContact CG-CG 4.22Å; M71-Y81 VanDerWaalsContact CG-CZ 3.45Å; M71-Y81 HydrophobicContact SD-CD2 4.34Å; M71-Y81 HydrophobicContact SD-CE2 3.53Å; M71-Y81 VanDerWaalsContact SD-CE2 3.53Å
82	V	44.8	Very low	41.7	Very low	71 Å²	71	115.8 Å²	115.8	43%	0.43	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.2	121.5	173.9	-174.4	0	0	0	0	108.8	A69 F70 L72 V80	A69-V82 WeakPolarHBondContact CA-O 3.19Å; F70-V82 PolarHBondContact N-O 3.5Å; F70-V82 PolarHBondContact O-N 3.45Å; L72-V82 HydrophobicContact CD1-CG2 3.95Å; L72-V82 HydrophobicContact CG-CG2 4.44Å; V80-V82 HydrophobicContact CG1-CG2 4.3Å
83	S	39.6	Very low	41.5	Very low	82 Å²	82	117 Å²	117	57%	0.573	64%	0.64	S	S	*	*			trans	-112	130.9	171.5	-65	0	0	0	0	109
84	P	37	Very low	41.4	Very low	95 Å²	95	116.7 Å²	116.7	62%	0.617	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-71.5	133.3	174.6	30.1	-32.7	0	0	0	109.9	H68	H68-P84 WeakPolarHBondContact O-CD 3.23Å
85	V	37.9	Very low	40.4	Very low	139 Å²	139	120.2 Å²	120.2	84%	0.842	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-82.2	125.9	168.6	178	0	0	0	0	107.8
86	S	34.1	Very low	39.5	Very low	92 Å²	92	118.4 Å²	118.4	64%	0.643	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-67.6	139	173.2	-65.1	0	0	0	0	110.6	E88	S86-E88 PolarHBondContact O-N 3.3Å
87	P	34.1	Very low	38.2	Very low	128 Å²	128	120.9 Å²	120.9	83%	0.831	68%	0.68	S	S	*	*			trans	-79.8	113.8	173.8	31.6	-31.1	0	0	0	109.9
88	E	36.4	Very low	37.5	Very low	155 Å²	155	123.3 Å²	123.3	72%	0.724	69%	0.688	S	S	*	*			trans	-126.5	107.9	172.3	-162.4	77.7	97	0	0	110	S86	S86-E88 PolarHBondContact O-N 3.3Å
89	Q	32.6	Very low	36.8	Very low	169 Å²	169	120 Å²	120	79%	0.79	70%	0.699	S	S	*	*			trans	51.3	109.5	150	-59.6	172.8	38.2	0	0	119.7
90	R	27.7	Very low	36.2	Very low	209 Å²	209	122.4 Å²	122.4	79%	0.789	71%	0.71	S	S	*	*			trans	-113.3	130.7	168.5	161.7	-178.2	-106.7	-91.8	6.9	110
91	P	32	Very low	36.1	Very low	119 Å²	119	125.8 Å²	125.8	77%	0.773	72%	0.72	S	S	*	*			trans	-76.4	150.2	159.2	-11.6	28.5	0	0	0	111.7
92	T	33.7	Very low	35.9	Very low	132 Å²	132	119.9 Å²	119.9	81%	0.81	71%	0.708	S	S	*	*			trans	-97.9	124.8	-173.7	48.6	0	0	0	0	113.3
93	S	35.8	Very low	36.4	Very low	88 Å²	88	121.6 Å²	121.6	62%	0.615	72%	0.721	S	S	*	*			trans	-163.6	151.9	143.4	50.3	0	0	0	0	112.4
94	E	37.6	Very low	36.8	Very low	171 Å²	171	121 Å²	121	80%	0.799	71%	0.71	S	S	*	*			trans	65.9	86.5	152.9	-72.5	150.9	-128.3	0	0	121.8
95	T	31	Very low	37.5	Very low	125 Å²	125	117.5 Å²	117.5	77%	0.767	69%	0.687	S	S	*	*				54.2	97.7	105.8	-49.8	0	0	0	0	120
96	S	31.2	Very low	38.6	Very low	96 Å²	96	119.7 Å²	119.7	67%	0.671	68%	0.68	S	S	*	*			trans	35.2	123.3	142.2	64.6	0	0	0	0	121.4
97	T	34.2	Very low	39.9	Very low	143 Å²	143	118.3 Å²	118.3	88%	0.877	67%	0.671	S	S	*	*				-172.5	149.6	105.1	22.4	0	0	0	0	114.1
98	S	35.7	Very low	41	Very low	101 Å²	101	112.9 Å²	112.9	71%	0.706	64%	0.635	S	S	*	*			trans	44.1	113.7	157.7	-150.4	0	0	0	0	121.5	T100	S98-T100 PolarHBondContact O-N 2.88Å; S98-T100 VanDerWaalsContact O-N 3.15Å; S98-T100 PolarHBondContact OG-OG1 3.39Å
99	A	35.6	Very low	41.8	Very low	107 Å²	107	111 Å²	111	88%	0.884	62%	0.622	S	S	*	*	S	Bend	trans	-82.9	74.3	170.9	0	0	0	0	0	112.9
100	T	38.9	Very low	43.1	Very low	120 Å²	120	105.2 Å²	105.2	74%	0.736	60%	0.603	S	S	*	*			trans	-150.3	56.9	174.1	-14.1	0	0	0	0	114.7	S98	S98-T100 PolarHBondContact O-N 2.88Å; S98-T100 VanDerWaalsContact O-N 3.15Å; S98-T100 PolarHBondContact OG-OG1 3.39Å
101	K	41.2	Very low	44.7	Very low	138 Å²	138	99.4 Å²	99.4	60%	0.6	58%	0.583	S	S	*	*			trans	-104.3	113.8	169.9	-73	-172.1	165.3	-168	0	111.1	E337	K101-E337 WeakPolarHBondContact CD-OE1 3.27Å; K101-E337 WeakPolarHBondContact CE-OE1 3.36Å; K101-E337 IonicContact NZ-OE1 2.6Å; K101-E337 PolarHBondContact NZ-OE1 2.71Å; K101-E337 IonicContact NZ-OE2 2.76Å; K101-E337 PolarHBondContact NZ-OE2 2.96Å
102	G	43.7	Very low	45.4	Very low	37 Å²	37	94 Å²	94	38%	0.381	55%	0.548	S	S	.	.			trans	-76.4	-179.6	-160.8	0	0	0	0	0	116.9	I104 V105	G102-I104 PolarHBondContact O-N 3.38Å; G102-V105 PolarHBondContact O-N 3.46Å
103	P	54	Low	46.3	Very low	108 Å²	108	91.4 Å²	91.4	70%	0.701	53%	0.529	S	S	*	.	H	α-helix	trans	-62.1	-24.7	-175.3	24.6	-34.1	0	0	0	114	R106 S107	P103-R106 PolarHBondContact O-N 3.14Å; P103-S107 WeakPolarHBondContact O-CB 3.32Å; P103-S107 PolarHBondContact O-N 3.34Å
104	I	49.1	Very low	47.2	Very low	70 Å²	70	94.2 Å²	94.2	36%	0.359	53%	0.533	S	S	.	.	H	α-helix	trans	-65.9	-45.2	179	-55.5	173.9	0	0	0	111	G102 R106 S107 V108 V340	G102-I104 PolarHBondContact O-N 3.38Å; I104-R106 VanDerWaalsContact C-N 3.33Å; I104-R106 PolarHBondContact O-N 3.34Å; I104-S107 WeakPolarHBondContact O-CA 3.37Å; I104-S107 VanDerWaalsContact O-CB 3.29Å; I104-S107 WeakPolarHBondContact O-CB 3.48Å; I104-S107 PolarHBondContact O-N 2.95Å; I104-S107 VanDerWaalsContact O-N 3.09Å; I104-V108 PolarHBondContact O-N 3.4Å; I104-V340 HydrophobicContact CB-CG2 4.21Å; I104-V340 HydrophobicContact CG2-CG2 3.67Å
105	V	51.7	Low	47.6	Very low	20 Å²	20	92.6 Å²	92.6	12%	0.121	53%	0.529	C	S	.	.	H	α-helix	trans	-63.9	-40.4	178.9	-177.8	0	0	0	0	110.9	G102 V108 Y109 E337	G102-V105 PolarHBondContact O-N 3.46Å; V105-V108 PolarHBondContact O-N 3.4Å; V105-Y109 WeakPolarHBondContact O-CB 3.48Å; V105-Y109 PolarHBondContact O-N 3.15Å; V105-E337 HydrophobicContact CG1-CG 3.82Å; V105-E337 HydrophobicContact CG2-CG 4.11Å
106	R	60.1	Low	48.3	Very low	185 Å²	185	89.8 Å²	89.8	70%	0.698	51%	0.511	S	S	*	.	H	α-helix	trans	-64.7	-37.8	172.6	-73.2	-177.4	176.1	141.8	0.5	112.6	P103 I104 A110	P103-R106 PolarHBondContact O-N 3.14Å; I104-R106 VanDerWaalsContact C-N 3.33Å; I104-R106 PolarHBondContact O-N 3.34Å; R106-A110 VanDerWaalsContact O-CB 3.3Å; R106-A110 WeakPolarHBondContact O-CB 3.48Å; R106-A110 PolarHBondContact O-N 3.01Å
107	S	62.2	Low	48.5	Very low	64 Å²	64	87.2 Å²	87.2	45%	0.448	50%	0.5	S	S	.	.	H	α-helix	trans	-61.1	-51.1	174.5	-175.5	0	0	0	0	110.8	P103 I104 A110 K111	P103-S107 WeakPolarHBondContact O-CB 3.32Å; P103-S107 PolarHBondContact O-N 3.34Å; I104-S107 WeakPolarHBondContact O-CA 3.37Å; I104-S107 VanDerWaalsContact O-CB 3.29Å; I104-S107 WeakPolarHBondContact O-CB 3.48Å; I104-S107 PolarHBondContact O-N 2.95Å; I104-S107 VanDerWaalsContact O-N 3.09Å; S107-A110 PolarHBondContact O-N 3.5Å; S107-K111 VanDerWaalsContact O-CB 3.27Å; S107-K111 WeakPolarHBondContact O-CB 3.43Å; S107-K111 PolarHBondContact O-N 3.12Å
108	V	56.4	Low	48.8	Very low	13 Å²	13	84.7 Å²	84.7	8%	0.079	49%	0.494	C	S	.	.	H	α-helix	trans	-66.8	-40.6	-179.8	-178.5	0	0	0	0	111.8	I104 V105 A110 K111 C112 A336 L354	I104-V108 PolarHBondContact O-N 3.4Å; V105-V108 PolarHBondContact O-N 3.4Å; V108-A110 VanDerWaalsContact C-N 3.31Å; V108-A110 PolarHBondContact O-N 3.41Å; V108-K111 PolarHBondContact O-N 3.43Å; V108-C112 WeakPolarHBondContact O-CB 3.1Å; V108-C112 PolarHBondContact O-N 3.38Å; V108-A336 HydrophobicContact CB-CB 3.98Å; V108-A336 HydrophobicContact CG1-CB 3.55Å; V108-A336 HydrophobicContact CG2-CB 4.14Å; V108-L354 HydrophobicContact CG1-CD1 3.76Å; V108-L354 HydrophobicContact CG1-CD2 4.14Å
109	Y	54	Low	48.9	Very low	116 Å²	116	86.9 Å²	86.9	46%	0.455	49%	0.493	S	S	.	.	H	α-helix	trans	-58.7	-43	174	-161.6	-82.9	0	0	0	111.8	V105 N113 V333	V105-Y109 WeakPolarHBondContact O-CB 3.48Å; V105-Y109 PolarHBondContact O-N 3.15Å; Y109-N113 WeakPolarHBondContact O-CB 3.41Å; Y109-N113 PolarHBondContact O-N 3.27Å; Y109-N113 VanDerWaalsContact O-N 3.1Å; Y109-V333 HydrophobicContact CD2-CB 4.37Å; Y109-V333 HydrophobicContact CD2-CG1 4.03Å; Y109-V333 HydrophobicContact CD2-CG2 3.47Å; Y109-V333 VanDerWaalsContact CD2-CG2 3.47Å; Y109-V333 HydrophobicContact CE2-CG2 4.06Å; Y109-V333 HydrophobicContact CG-CG2 4.26Å
110	A	58.8	Low	49.2	Very low	47 Å²	47	87.8 Å²	87.8	39%	0.388	49%	0.493	S	S	.	.	H	α-helix	trans	-68.8	-38.1	175.5	0	0	0	0	0	113	R106 S107 V108 N113 Q114	R106-A110 VanDerWaalsContact O-CB 3.3Å; R106-A110 WeakPolarHBondContact O-CB 3.48Å; R106-A110 PolarHBondContact O-N 3.01Å; S107-A110 PolarHBondContact O-N 3.5Å; V108-A110 VanDerWaalsContact C-N 3.31Å; V108-A110 PolarHBondContact O-N 3.41Å; A110-N113 PolarHBondContact O-N 2.85Å; A110-Q114 VanDerWaalsContact O-CG 3.3Å; A110-Q114 WeakPolarHBondContact O-CG 3.41Å; A110-Q114 PolarHBondContact O-N 3.19Å
111	K	61.9	Low	48.9	Very low	88 Å²	88	85.5 Å²	85.5	38%	0.383	49%	0.493	S	S	.	.	H	α-helix	trans	-74.3	-37.4	-178.2	-151.9	164.4	180	-176	0	111.1	S107 V108 Q114 L115 E347	S107-K111 VanDerWaalsContact O-CB 3.27Å; S107-K111 WeakPolarHBondContact O-CB 3.43Å; S107-K111 PolarHBondContact O-N 3.12Å; V108-K111 PolarHBondContact O-N 3.43Å; K111-Q114 PolarHBondContact O-N 3.29Å; K111-L115 VanDerWaalsContact O-CG 3.29Å; K111-L115 WeakPolarHBondContact O-CG 3.45Å; K111-L115 PolarHBondContact O-N 3Å; K111-E347 IonicContact NZ-OE1 3.44Å; K111-E347 PolarHBondContact NZ-OE1 3.17Å
112	C	47.3	Very low	48.9	Very low	4 Å²	4	90.3 Å²	90.3	3%	0.027	51%	0.507	C	S	.	.	H	α-helix	trans	-62.8	-46.5	167.9	-75.5	0	0	0	0	112	V108 Q114 L115 V116 T329	V108-C112 WeakPolarHBondContact O-CB 3.1Å; V108-C112 PolarHBondContact O-N 3.38Å; C112-Q114 PolarHBondContact O-N 2.97Å; C112-L115 PolarHBondContact O-N 2.9Å; C112-V116 PolarHBondContact O-N 3.37Å; C112-V116 VanDerWaalsContact O-N 3.08Å; C112-T329 HydrophobicContact CB-CG2 4.33Å
113	N	51.1	Low	48.6	Very low	78 Å²	78	94.3 Å²	94.3	42%	0.417	53%	0.529	S	S	.	.	H	α-helix	trans	-62.4	-28.1	174.8	-82.5	-3.8	0	0	0	113	Y109 A110 G117	Y109-N113 WeakPolarHBondContact O-CB 3.41Å; Y109-N113 PolarHBondContact O-N 3.27Å; Y109-N113 VanDerWaalsContact O-N 3.1Å; A110-N113 PolarHBondContact O-N 2.85Å; N113-G117 VanDerWaalsContact O-CA 3.28Å; N113-G117 WeakPolarHBondContact O-CA 3.45Å; N113-G117 PolarHBondContact O-N 3.46Å
114	Q	54.9	Low	48	Very low	148 Å²	148	96.1 Å²	96.1	69%	0.692	54%	0.538	S	S	*	.	H	α-helix	trans	-78.1	-21.9	172.2	-76.3	173.1	1.2	0	0	114.2	A110 K111 C112	A110-Q114 VanDerWaalsContact O-CG 3.3Å; A110-Q114 WeakPolarHBondContact O-CG 3.41Å; A110-Q114 PolarHBondContact O-N 3.19Å; K111-Q114 PolarHBondContact O-N 3.29Å; C112-Q114 PolarHBondContact O-N 2.97Å
115	L	46.5	Very low	47.5	Very low	136 Å²	136	98.1 Å²	98.1	71%	0.712	56%	0.558	S	S	*	*	H	α-helix	trans	-82.1	-34.7	176.8	-75.3	162.9	0	0	0	111.9	K111 C112	K111-L115 VanDerWaalsContact O-CG 3.29Å; K111-L115 WeakPolarHBondContact O-CG 3.45Å; K111-L115 PolarHBondContact O-N 3Å; C112-L115 PolarHBondContact O-N 2.9Å
116	V	46.6	Very low	46.7	Very low	66 Å²	66	102.3 Å²	102.3	40%	0.4	60%	0.595	S	S	.	*	H	α-helix	trans	-95.5	-29	178.4	-164	0	0	0	0	112.3	C112 V325	C112-V116 PolarHBondContact O-N 3.37Å; C112-V116 VanDerWaalsContact O-N 3.08Å; V116-V325 HydrophobicContact CB-CG1 4.36Å; V116-V325 HydrophobicContact CG1-CB 4.3Å; V116-V325 HydrophobicContact CG1-CG1 3.61Å; V116-V325 HydrophobicContact CG1-CG2 3.86Å
117	G	35.3	Very low	45.5	Very low	42 Å²	42	97.2 Å²	97.2	43%	0.433	60%	0.6	S	S	.	*	S	Bend	trans	-91.3	117.9	174.8	0	0	0	0	0	112.8	N113 Q119	N113-G117 VanDerWaalsContact O-CA 3.28Å; N113-G117 WeakPolarHBondContact O-CA 3.45Å; N113-G117 PolarHBondContact O-N 3.46Å; G117-Q119 PolarHBondContact O-N 3.13Å
118	A	39.1	Very low	44.2	Very low	91 Å²	91	102.2 Å²	102.2	75%	0.752	62%	0.622	S	S	*	*			trans	-60.2	121.2	-174.1	0	0	0	0	0	115.1
119	Q	38.3	Very low	43.6	Very low	147 Å²	147	110 Å²	110	69%	0.687	66%	0.662	S	S	*	*			trans	63.6	113.6	147.3	-53.6	179.5	25.8	0	0	119.2	G117 F140	G117-Q119 PolarHBondContact O-N 3.13Å; Q119-F140 HydrophobicContact CG-CE1 4.06Å
120	S	41.8	Very low	42.7	Very low	126 Å²	126	109.4 Å²	109.4	88%	0.881	68%	0.675	S	S	*	*				168	115.3	109.8	-172.2	0	0	0	0	114.7
121	G	32.7	Very low	41.6	Very low	71 Å²	71	111.9 Å²	111.9	73%	0.732	69%	0.689	S	S	*	*			trans	72.1	98.1	133.5	0	0	0	0	0	122.4
122	R	41.5	Very low	40.6	Very low	240 Å²	240	117.4 Å²	117.4	91%	0.906	71%	0.713	S	S	*	*			trans	-175.1	113.9	135.9	-103.2	165.4	176.9	-153.6	-3.2	108.1
123	S	38.4	Very low	40	Very low	120 Å²	120	122.7 Å²	122.7	84%	0.839	75%	0.745	S	S	*	*				63.1	93.5	69.2	-58.9	0	0	0	0	113.7
124	V	39.8	Very low	39.8	Very low	147 Å²	147	124.3 Å²	124.3	89%	0.891	76%	0.763	S	S	*	*			trans	-123.9	144.1	160.9	-178.7	0	0	0	0	107.9
125	S	38.9	Very low	39.6	Very low	112 Å²	112	122 Å²	122	78%	0.783	76%	0.763	S	S	*	*			trans	-95.8	144.9	-163.8	-56	0	0	0	0	114.4
126	A	35.7	Very low	39.8	Very low	108 Å²	108	123.7 Å²	123.7	89%	0.893	77%	0.772	S	S	*	*			trans	49.9	105	146.8	0	0	0	0	0	119.7
127	G	35.4	Very low	39.7	Very low	77 Å²	77	130.5 Å²	130.5	79%	0.794	79%	0.79	S	S	*	*			trans	-150.7	128.7	157.5	0	0	0	0	0	109.7	L129	G127-L129 PolarHBondContact O-N 2.86Å
128	N	33.9	Very low	39.9	Very low	170 Å²	170	136.4 Å²	136.4	91%	0.909	81%	0.807	S	S	*	*			trans	-68.4	124	-176.4	-75.7	-26.8	0	0	0	111.7
129	L	43.2	Very low	40	Very low	176 Å²	176	136.1 Å²	136.1	92%	0.921	80%	0.804	S	S	*	*			trans	-149.6	132.8	142.3	-150.1	59.6	0	0	0	111.9	G127	G127-L129 PolarHBondContact O-N 2.86Å
130	S	35.6	Very low	40.3	Very low	104 Å²	104	136 Å²	136	73%	0.727	80%	0.802	S	S	*	*			trans	-81.2	154.5	-179.6	-178.9	0	0	0	0	111.4
131	S	36.7	Very low	40.7	Very low	99 Å²	99	135.7 Å²	135.7	69%	0.692	80%	0.797	S	S	*	*	S	Bend	trans	83.7	120.8	163.2	-56.4	0	0	0	0	119.4
132	K	39.7	Very low	41.9	Very low	204 Å²	204	137.9 Å²	137.9	89%	0.887	80%	0.801	S	S	*	*			trans	67.6	69.9	152.9	-59.1	178.8	179.3	178.8	0	119.5
133	T	35.1	Very low	43.7	Very low	115 Å²	115	132.7 Å²	132.7	71%	0.706	78%	0.781	S	S	*	*			trans	-139.5	79.9	160.4	49.6	0	0	0	0	113.1
134	S	46	Very low	46	Very low	112 Å²	112	135.6 Å²	135.6	78%	0.783	77%	0.774	S	S	*	*			trans	-100.1	6.2	-174.6	54.2	0	0	0	0	116.2
135	S	52.1	Low	48.7	Very low	99 Å²	99	130.8 Å²	130.8	69%	0.692	75%	0.746	S	S	*	*	S	Bend	trans	-133.9	22.9	-165.1	-52.1	0	0	0	0	116.4
136	L	51.3	Low	51.5	Low	172 Å²	172	125.5 Å²	125.5	90%	0.901	71%	0.709	S	S	*	*			trans	-133.3	34.3	-178.7	-79.2	173.2	0	0	0	113.9
137	R	44.3	Very low	54.5	Low	208 Å²	208	124.8 Å²	124.8	79%	0.785	69%	0.69	S	S	*	*			trans	-108.8	-11.2	178.7	-58.1	-170.5	-172.5	-158.4	1.8	113.7	A139	R137-A139 PolarHBondContact O-N 3.24Å; R137-A139 VanDerWaalsContact O-N 3.17Å
138	E	38.7	Very low	57.5	Low	166 Å²	166	121.9 Å²	121.9	78%	0.776	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	73.1	178.9	-77.4	67.3	-158.2	0	0	113
139	A	40.6	Very low	60.6	Low	85 Å²	85	118.2 Å²	118.2	70%	0.702	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.7	-12	171.7	0	0	0	0	0	115.2	R137	R137-A139 PolarHBondContact O-N 3.24Å; R137-A139 VanDerWaalsContact O-N 3.17Å
140	F	45.6	Very low	63.2	Low	145 Å²	145	118.8 Å²	118.8	64%	0.636	64%	0.636	S	S	*	*	S	Bend	trans	-119.8	131	166.2	-64.6	-79.7	0	0	0	108.5	Q119 S142	Q119-F140 HydrophobicContact CG-CE1 4.06Å; F140-S142 PolarHBondContact O-N 2.92Å
141	P	50.1	Low	66.1	Low	119 Å²	119	114.2 Å²	114.2	77%	0.773	60%	0.604	S	S	*	*			trans	-61.6	112.6	175.3	25.5	-32.6	0	0	0	108.4	R143	P141-R143 PolarHBondContact O-N 3.05Å; P141-R143 VanDerWaalsContact O-N 3.08Å
142	S	57.7	Low	69.1	Low	117 Å²	117	114 Å²	114	82%	0.818	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-56.3	118.1	-179.1	51.2	0	0	0	0	109	F140 R144	F140-S142 PolarHBondContact O-N 2.92Å; S142-R144 PolarHBondContact O-N 2.97Å
143	R	78.5	Confident	71.9	Confident	132 Å²	132	104.2 Å²	104.2	50%	0.498	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-61.8	137.7	-176.5	-64.5	-70.8	-93.1	-73.9	-5.4	108.7	P141 P145 N163 E165	P141-R143 PolarHBondContact O-N 3.05Å; P141-R143 VanDerWaalsContact O-N 3.08Å; R143-P145 WeakPolarHBondContact O-CD 3.19Å; R143-P145 VanDerWaalsContact O-N 3.16Å; R143-N163 VanDerWaalsContact NH2-CB 3.33Å; R143-N163 VanDerWaalsContact NH2-CG 3.27Å; R143-N163 PolarHBondContact NH2-ND2 3.35Å; R143-E165 IonicContact CZ-OE1 3.19Å; R143-E165 IonicContact CZ-OE2 3.75Å; R143-E165 IonicContact NE-OE2 3.13Å; R143-E165 VanDerWaalsContact NH1-CD 3.31Å; R143-E165 IonicContact NH1-OE1 3.09Å; R143-E165 PolarHBondContact NH1-OE1 2.89Å; R143-E165 IonicContact NH1-OE2 2.75Å; R143-E165 PolarHBondContact NH1-OE2 3.06Å; R143-E165 IonicContact NH2-OE1 3.78Å; R143-E165 PolarHBondContact NH2-OE1 3.05Å; R143-E165 IonicContact NH2-OE2 2.7Å; R143-E165 PolarHBondContact NH2-OE2 3.16Å; R143-E165 VanDerWaalsContact NH2-OE2 3.08Å
144	R	88.1	Confident	74.9	Confident	180 Å²	180	99.8 Å²	99.8	68%	0.679	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-54.6	121	-179.9	-179.5	177.2	178.3	-105.9	-0.2	109.5	S142 C146 D159	S142-R144 PolarHBondContact O-N 2.97Å; R144-C146 PolarHBondContact O-N 2.94Å; R144-D159 IonicContact NH1-OD2 2.75Å
145	P	96.2	Very high	77.4	Confident	47 Å²	47	99.2 Å²	99.2	31%	0.305	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-64.2	135.6	179.7	25	-33.2	0	0	0	110.3	R143 N147 G169	R143-P145 WeakPolarHBondContact O-CD 3.19Å; R143-P145 VanDerWaalsContact O-N 3.16Å; P145-N147 PolarHBondContact O-ND2 3.43Å; P145-N147 VanDerWaalsContact O-ND2 3.14Å; P145-G169 WeakPolarHBondContact CB-O 3.49Å
146	C	98	Very high	79.5	Confident	1 Å²	1	97.9 Å²	97.9	1%	0.007	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-78.2	150.8	177.9	76.5	0	0	0	0	111.4	R144 C158 C167 C170 H171 C172	R144-C146 PolarHBondContact O-N 2.94Å; C146-C158 VanDerWaalsContact SG-SG 3.69Å; C146-C167 VanDerWaalsContact SG-SG 3.67Å; C146-C170 PolarHBondContact N-SG 2.83Å; C146-H171 CarbonylContact O-C 3.55Å; C146-H171 PolarHBondContact O-N 3.16Å; C146-C172 PolarHBondContact O-N 3.46Å
147	N	98.1	Very high	81.6	Confident	92 Å²	92	98.9 Å²	98.9	49%	0.492	48%	0.483	S	S	.	.			trans	-119.7	38.1	-177.8	-67.4	-97.7	0	0	0	110.1	P145 H171	P145-N147 PolarHBondContact O-ND2 3.43Å; P145-N147 VanDerWaalsContact O-ND2 3.14Å; N147-H171 WeakPolarHBondContact OD1-CB 3.49Å
148	C	98.5	Very high	84.2	Confident	17 Å²	17	89 Å²	89	12%	0.115	45%	0.446	C	S	.	.			trans	-75.3	127.3	-168.6	-66	0	0	0	0	112.5	S151 C158 C172 T173	C148-S151 WeakPolarHBondContact CB-OG 3.47Å; C148-C158 VanDerWaalsContact SG-CB 3.53Å; C148-C172 HydrophobicContact CB-CB 3.94Å; C148-C172 CarbonylContact O-C 3.26Å; C148-C172 VanDerWaalsContact O-CA 3.26Å; C148-C172 WeakPolarHBondContact O-CA 3.27Å; C148-C172 WeakPolarHBondContact O-CB 3.29Å; C148-T173 PolarHBondContact O-N 2.75Å
149	T	98	Very high	86.9	Confident	93 Å²	93	84.8 Å²	84.8	57%	0.571	43%	0.428	S	S	*	.	S	Bend	trans	-110.4	-32.7	178.9	53	0	0	0	0	114.5	T173	T149-T173 WeakPolarHBondContact CA-OG1 3.49Å
150	K	97.9	Very high	89.6	Confident	188 Å²	188	81.4 Å²	81.4	82%	0.817	40%	0.4	S	S	*	.	S	Bend	trans	-111.7	-7.2	-172.5	-60	-177	-177.9	-177.2	0	115.3
151	S	97.6	Very high	92.1	Very high	8 Å²	8	74.6 Å²	74.6	6%	0.056	37%	0.37	C	S	.	.	S	Bend	trans	-96.8	-11.5	-176	60.1	0	0	0	0	114.2	C148 C153 L154	C148-S151 WeakPolarHBondContact CB-OG 3.47Å; S151-C153 PolarHBondContact O-N 3.4Å; S151-C153 PolarHBondContact OG-N 3.3Å; S151-L154 PolarHBondContact O-N 3.19Å
152	Q	98.4	Very high	94.3	Very high	93 Å²	93	70 Å²	70	44%	0.435	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	19	-166	-64.9	165	-37.5	0	0	113	L154 N174 L176	Q152-L154 PolarHBondContact O-N 2.7Å; Q152-N174 WeakPolarHBondContact CA-O 3.38Å; Q152-N174 WeakPolarHBondContact CB-O 3.4Å; Q152-N174 HydrophobicContact CG-CB 4.49Å; Q152-L176 HydrophobicContact CB-CD1 4.04Å; Q152-L176 HydrophobicContact CB-CG 4.13Å; Q152-L176 HydrophobicContact CG-CD1 4.37Å; Q152-L176 PolarHBondContact O-N 2.99Å
153	C	98.7	Very high	96	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	16.6	-166.9	-56.2	0	0	0	0	115.4	S151 C158 F161 C172 N177	S151-C153 PolarHBondContact O-N 3.4Å; S151-C153 PolarHBondContact OG-N 3.3Å; C153-C158 HydrophobicContact CB-CB 4.26Å; C153-F161 WeakPolarHBondContact O-CB 2.97Å; C153-F161 WeakPolarHBondContact O-CD2 3.47Å; C153-F161 WeakPolarHBondContact O-CG 3.43Å; C153-C172 WeakPolarHBondContact SG-CB 3.41Å; C153-C172 VanDerWaalsContact SG-SG 3.69Å; C153-N177 HydrophobicContact CB-CB 3.43Å; C153-N177 VanDerWaalsContact CB-CB 3.43Å; C153-N177 WeakPolarHBondContact O-CB 3.48Å
154	L	98.4	Very high	96.8	Very high	21 Å²	21	64.3 Å²	64.3	11%	0.11	32%	0.321	C	S	.	.			trans	-103.1	24	179.5	-65.2	-170.7	0	0	0	114	S151 Q152 F161 L176 N177 D184 R185 A188	S151-L154 PolarHBondContact O-N 3.19Å; Q152-L154 PolarHBondContact O-N 2.7Å; L154-F161 HydrophobicContact CD2-CD2 4.37Å; L154-F161 HydrophobicContact CD2-CE2 4.14Å; L154-L176 HydrophobicContact CD1-CB 3.67Å; L154-L176 HydrophobicContact CD1-CD1 3.89Å; L154-L176 HydrophobicContact CD1-CG 4.42Å; L154-L176 HydrophobicContact CD2-CB 4.19Å; L154-L176 HydrophobicContact CG-CB 3.84Å; L154-N177 HydrophobicContact CD2-CB 4.41Å; L154-D184 HydrophobicContact CD1-CB 3.82Å; L154-R185 HydrophobicContact CD2-CB 4.05Å; L154-R185 HydrophobicContact CD2-CG 4.24Å; L154-A188 HydrophobicContact CB-CB 3.77Å; L154-A188 HydrophobicContact CD1-CB 4.26Å; L154-A188 HydrophobicContact CD2-CB 4.24Å; L154-A188 HydrophobicContact CG-CB 4.31Å
155	K	98.2	Very high	97.2	Very high	100 Å²	100	59.1 Å²	59.1	44%	0.435	31%	0.305	S	S	.	.	S	Bend	trans	-141.8	149.4	-179.6	-57.9	177.3	-174.8	169.3	0	108.7	Y157 C158 F161	K155-Y157 HydrophobicContact CB-CD2 3.76Å; K155-Y157 HydrophobicContact CB-CE2 4.41Å; K155-Y157 HydrophobicContact CD-CD2 4.25Å; K155-Y157 HydrophobicContact CD-CE2 4.38Å; K155-Y157 PolarHBondContact O-N 2.54Å; K155-C158 PolarHBondContact O-N 3.21Å; K155-F161 VanDerWaalsContact C-CD1 3.49Å
156	L	96.4	Very high	97.3	Very high	71 Å²	71	60.6 Å²	60.6	37%	0.372	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	1	179.2	-55.9	175.6	0	0	0	115.1	F161 A162 A199 F200	L156-F161 HydrophobicContact CD2-CD1 4.11Å; L156-F161 HydrophobicContact CD2-CE1 4.17Å; L156-A162 HydrophobicContact CB-CB 4.47Å; L156-A162 HydrophobicContact CD2-CB 4.18Å; L156-A199 HydrophobicContact CD1-CB 4.18Å; L156-F200 HydrophobicContact CD2-CD1 4.1Å; L156-F200 HydrophobicContact CD2-CE1 3.66Å; L156-F200 HydrophobicContact CD2-CZ 4.17Å
157	Y	96.1	Very high	97.3	Very high	194 Å²	194	61.6 Å²	61.6	76%	0.761	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-11.6	165	-55.1	-68.4	0	0	0	113.4	K155	K155-Y157 HydrophobicContact CB-CD2 3.76Å; K155-Y157 HydrophobicContact CB-CE2 4.41Å; K155-Y157 HydrophobicContact CD-CD2 4.25Å; K155-Y157 HydrophobicContact CD-CE2 4.38Å; K155-Y157 PolarHBondContact O-N 2.54Å
158	C	98.3	Very high	97.2	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	-99.6	120	172.5	175	0	0	0	0	109	C146 C148 C153 K155 C160 F161 A162	C146-C158 VanDerWaalsContact SG-SG 3.69Å; C148-C158 VanDerWaalsContact SG-CB 3.53Å; C153-C158 HydrophobicContact CB-CB 4.26Å; K155-C158 PolarHBondContact O-N 3.21Å; C158-C160 VanDerWaalsContact C-N 3.28Å; C158-C160 PolarHBondContact O-N 3.23Å; C158-F161 HydrophobicContact CB-CB 4.05Å; C158-F161 PolarHBondContact O-N 2.75Å; C158-A162 WeakPolarHBondContact O-CB 3.44Å; C158-A162 PolarHBondContact O-N 2.99Å
159	D	94.9	Very high	97.1	Very high	77 Å²	77	66.5 Å²	66.5	41%	0.412	35%	0.353	S	S	.	.	H	α-helix	trans	-60.8	-35.6	-178	-55.5	-36.1	0	0	0	112.3	R144 N163	R144-D159 IonicContact NH1-OD2 2.75Å; D159-N163 WeakPolarHBondContact O-CB 3.48Å; D159-N163 PolarHBondContact O-N 2.95Å; D159-N163 VanDerWaalsContact O-N 3.14Å; D159-N163 PolarHBondContact O-ND2 3.37Å
160	C	97.7	Very high	97.1	Very high	15 Å²	15	63.5 Å²	63.5	10%	0.101	34%	0.336	C	S	.	.	H	α-helix	trans	-60.3	-52.8	175.2	-50.8	0	0	0	0	110.7	C158 N163 G164 E165	C158-C160 VanDerWaalsContact C-N 3.28Å; C158-C160 PolarHBondContact O-N 3.23Å; C160-N163 PolarHBondContact O-N 3.07Å; C160-G164 PolarHBondContact O-N 3.49Å; C160-E165 CarbonylContact C-O 3.08Å; C160-E165 PolarHBondContact O-N 3.13Å; C160-E165 VanDerWaalsContact O-O 3.12Å
161	F	97.8	Very high	97.1	Very high	1 Å²	1	60.5 Å²	60.5	0%	0.004	33%	0.325	C	S	.	.	H	α-helix	trans	-67.2	-39.1	-179.3	-177	-94.1	0	0	0	112.6	C153 L154 K155 L156 C158 N163 G164 R185 A188 I189 F200	C153-F161 WeakPolarHBondContact O-CB 2.97Å; C153-F161 WeakPolarHBondContact O-CD2 3.47Å; C153-F161 WeakPolarHBondContact O-CG 3.43Å; L154-F161 HydrophobicContact CD2-CD2 4.37Å; L154-F161 HydrophobicContact CD2-CE2 4.14Å; K155-F161 VanDerWaalsContact C-CD1 3.49Å; L156-F161 HydrophobicContact CD2-CD1 4.11Å; L156-F161 HydrophobicContact CD2-CE1 4.17Å; C158-F161 HydrophobicContact CB-CB 4.05Å; C158-F161 PolarHBondContact O-N 2.75Å; F161-N163 PolarHBondContact O-N 3.26Å; F161-G164 PolarHBondContact O-N 2.8Å; F161-R185 HydrophobicContact CE2-CG 4.5Å; F161-A188 HydrophobicContact CE2-CB 4.25Å; F161-A188 HydrophobicContact CZ-CB 3.95Å; F161-I189 HydrophobicContact CE2-CG1 3.93Å; F161-I189 HydrophobicContact CZ-CG1 4.01Å; F161-F200 HydrophobicContact CD1-CE1 4.07Å; F161-F200 AromaticContact CE1-CE1 3.76Å; F161-F200 HydrophobicContact CE1-CE1 3.76Å; F161-F200 AromaticContact CE1-CZ 3.74Å; F161-F200 HydrophobicContact CE1-CZ 3.74Å; F161-F200 HydrophobicContact CZ-CE1 4.16Å; F161-F200 AromaticContact CZ-CZ 3.89Å; F161-F200 HydrophobicContact CZ-CZ 3.89Å; F161-F200 VanDerWaalsContact O-CE1 3.3Å; F161-F200 WeakPolarHBondContact O-CE1 3.47Å
162	A	96.2	Very high	97.1	Very high	24 Å²	24	61.3 Å²	61.3	20%	0.198	33%	0.33	C	S	.	.	H	α-helix	trans	-60.7	-30.9	175.8	0	0	0	0	0	112.6	L156 C158 G164	L156-A162 HydrophobicContact CB-CB 4.47Å; L156-A162 HydrophobicContact CD2-CB 4.18Å; C158-A162 WeakPolarHBondContact O-CB 3.44Å; C158-A162 PolarHBondContact O-N 2.99Å; A162-G164 VanDerWaalsContact C-N 3.33Å
163	N	94.3	Very high	97.1	Very high	89 Å²	89	60.2 Å²	60.2	48%	0.476	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	3	174	-65.5	-39.6	0	0	0	113.9	R143 D159 C160 F161 E165	R143-N163 VanDerWaalsContact NH2-CB 3.33Å; R143-N163 VanDerWaalsContact NH2-CG 3.27Å; R143-N163 PolarHBondContact NH2-ND2 3.35Å; D159-N163 WeakPolarHBondContact O-CB 3.48Å; D159-N163 PolarHBondContact O-N 2.95Å; D159-N163 VanDerWaalsContact O-N 3.14Å; D159-N163 PolarHBondContact O-ND2 3.37Å; C160-N163 PolarHBondContact O-N 3.07Å; F161-N163 PolarHBondContact O-N 3.26Å; N163-E165 PolarHBondContact O-N 3.24Å
164	G	95.3	Very high	97	Very high	39 Å²	39	66.3 Å²	66.3	40%	0.402	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	4.4	-177	0	0	0	0	0	115.1	C160 F161 A162 R185	C160-G164 PolarHBondContact O-N 3.49Å; F161-G164 PolarHBondContact O-N 2.8Å; A162-G164 VanDerWaalsContact C-N 3.33Å; G164-R185 PolarHBondContact O-NH2 3.16Å
165	E	96.1	Very high	97.1	Very high	71 Å²	71	66.6 Å²	66.6	33%	0.332	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-94	153.1	-174.5	-73.1	164.3	-159.2	0	0	112.1	R143 C160 N163 N177	R143-E165 IonicContact CZ-OE1 3.19Å; R143-E165 IonicContact CZ-OE2 3.75Å; R143-E165 IonicContact NE-OE2 3.13Å; R143-E165 VanDerWaalsContact NH1-CD 3.31Å; R143-E165 IonicContact NH1-OE1 3.09Å; R143-E165 PolarHBondContact NH1-OE1 2.89Å; R143-E165 IonicContact NH1-OE2 2.75Å; R143-E165 PolarHBondContact NH1-OE2 3.06Å; R143-E165 IonicContact NH2-OE1 3.78Å; R143-E165 PolarHBondContact NH2-OE1 3.05Å; R143-E165 IonicContact NH2-OE2 2.7Å; R143-E165 PolarHBondContact NH2-OE2 3.16Å; R143-E165 VanDerWaalsContact NH2-OE2 3.08Å; C160-E165 CarbonylContact C-O 3.08Å; C160-E165 PolarHBondContact O-N 3.13Å; C160-E165 VanDerWaalsContact O-O 3.12Å; N163-E165 PolarHBondContact O-N 3.24Å; E165-N177 PolarHBondContact O-ND2 3.17Å; E165-N177 PolarHBondContact O-OD1 3.28Å
166	F	97.8	Very high	97.1	Very high	78 Å²	78	63.6 Å²	63.6	34%	0.342	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-70.6	151.9	168.3	-62.5	-73.6	0	0	0	111	N168 L179 R185	F166-N168 PolarHBondContact O-N 3.25Å; F166-L179 HydrophobicContact CE1-CD2 3.99Å; F166-L179 HydrophobicContact CE1-CG 4.19Å; F166-L179 HydrophobicContact CE2-CD2 3.81Å; F166-L179 HydrophobicContact CE2-CG 4.23Å; F166-L179 HydrophobicContact CZ-CD2 3.39Å; F166-L179 HydrophobicContact CZ-CG 3.96Å; F166-R185 VanDerWaalsContact CE1-NE 3.28Å
167	C	98.2	Very high	97.2	Very high	22 Å²	22	60.2 Å²	60.2	15%	0.149	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-71.8	122	168.9	-69.7	0	0	0	0	109.6	C146 C170 N177	C146-C167 VanDerWaalsContact SG-SG 3.67Å; C167-C170 HydrophobicContact CB-CB 4.25Å; C167-N177 PolarHBondContact N-ND2 3.47Å; C167-N177 PolarHBondContact N-O 2.83Å; C167-N177 PolarHBondContact SG-ND2 3.17Å; C167-N177 VanDerWaalsContact SG-ND2 3.4Å
168	N	96.5	Very high	97.3	Very high	148 Å²	148	52.9 Å²	52.9	79%	0.791	31%	0.311	S	S	*	.			trans	-130	134.6	175.4	-171.9	10.7	0	0	0	108.7	F166 C170	F166-N168 PolarHBondContact O-N 3.25Å; N168-C170 PolarHBondContact O-N 3Å; N168-C170 VanDerWaalsContact O-N 3.13Å; N168-C170 PolarHBondContact O-SG 3.3Å
169	G	96	Very high	97.2	Very high	64 Å²	64	59.1 Å²	59.1	66%	0.66	34%	0.343	S	S	*	.	S	Bend	trans	54.9	28.5	-177.8	0	0	0	0	0	115.6	P145	P145-G169 WeakPolarHBondContact CB-O 3.49Å
170	C	97.9	Very high	97.3	Very high	30 Å²	30	61.7 Å²	61.7	20%	0.203	36%	0.362	C	S	.	.			trans	-94	159.7	-173.4	-68.8	0	0	0	0	113.5	C146 C167 N168 C172	C146-C170 PolarHBondContact N-SG 2.83Å; C167-C170 HydrophobicContact CB-CB 4.25Å; N168-C170 PolarHBondContact O-N 3Å; N168-C170 VanDerWaalsContact O-N 3.13Å; N168-C170 PolarHBondContact O-SG 3.3Å; C170-C172 VanDerWaalsContact CB-SG 3.59Å
171	H	97.7	Very high	97.3	Very high	126 Å²	126	63.2 Å²	63.2	58%	0.583	37%	0.369	S	S	*	.			trans	-100	25.5	176.5	-48.8	-52.3	0	0	0	112.6	C146 N147	C146-H171 CarbonylContact O-C 3.55Å; C146-H171 PolarHBondContact O-N 3.16Å; N147-H171 WeakPolarHBondContact OD1-CB 3.49Å
172	C	98.4	Very high	97.2	Very high	24 Å²	24	66 Å²	66	16%	0.162	38%	0.382	C	S	.	.			trans	-82	138	179.9	51.2	0	0	0	0	112.4	C146 C148 C153 C170	C146-C172 PolarHBondContact O-N 3.46Å; C148-C172 HydrophobicContact CB-CB 3.94Å; C148-C172 CarbonylContact O-C 3.26Å; C148-C172 VanDerWaalsContact O-CA 3.26Å; C148-C172 WeakPolarHBondContact O-CA 3.27Å; C148-C172 WeakPolarHBondContact O-CB 3.29Å; C153-C172 WeakPolarHBondContact SG-CB 3.41Å; C153-C172 VanDerWaalsContact SG-SG 3.69Å; C170-C172 VanDerWaalsContact CB-SG 3.59Å
173	T	98.3	Very high	97.2	Very high	70 Å²	70	72.7 Å²	72.7	43%	0.429	41%	0.411	S	S	.	.	S	Bend	trans	-91.3	145.1	175.5	61.3	0	0	0	0	111.1	C148 T149 C175	C148-T173 PolarHBondContact O-N 2.75Å; T149-T173 WeakPolarHBondContact CA-OG1 3.49Å; T173-C175 VanDerWaalsContact C-N 3.31Å; T173-C175 PolarHBondContact O-N 3.03Å
174	N	97.6	Very high	97.4	Very high	128 Å²	128	71.9 Å²	71.9	68%	0.684	41%	0.407	S	S	*	.	S	Bend	trans	51.1	47.6	179.7	-60.2	-6	0	0	0	112.7	Q152 L176	Q152-N174 WeakPolarHBondContact CA-O 3.38Å; Q152-N174 WeakPolarHBondContact CB-O 3.4Å; Q152-N174 HydrophobicContact CG-CB 4.49Å; N174-L176 PolarHBondContact O-N 2.9Å
175	C	98.5	Very high	97.6	Very high	28 Å²	28	71.1 Å²	71.1	19%	0.189	39%	0.392	C	S	.	.			trans	-73.2	122.5	-177.4	-174.5	0	0	0	0	111.7	T173 N177 N178	T173-C175 VanDerWaalsContact C-N 3.31Å; T173-C175 PolarHBondContact O-N 3.03Å; C175-N177 PolarHBondContact SG-N 3.22Å; C175-N178 PolarHBondContact O-ND2 3.46Å
176	L	98.6	Very high	97.7	Very high	37 Å²	37	69.8 Å²	69.8	19%	0.194	39%	0.391	C	S	.	.			trans	-109	4.5	172.2	-55.5	176.8	0	0	0	111.9	Q152 L154 N174 N178 N181	Q152-L176 HydrophobicContact CB-CD1 4.04Å; Q152-L176 HydrophobicContact CB-CG 4.13Å; Q152-L176 HydrophobicContact CG-CD1 4.37Å; Q152-L176 PolarHBondContact O-N 2.99Å; L154-L176 HydrophobicContact CD1-CB 3.67Å; L154-L176 HydrophobicContact CD1-CD1 3.89Å; L154-L176 HydrophobicContact CD1-CG 4.42Å; L154-L176 HydrophobicContact CD2-CB 4.19Å; L154-L176 HydrophobicContact CG-CB 3.84Å; N174-L176 PolarHBondContact O-N 2.9Å; L176-N178 VanDerWaalsContact C-N 3.28Å; L176-N178 PolarHBondContact O-N 3.43Å; L176-N178 VanDerWaalsContact O-N 3.16Å; L176-N181 HydrophobicContact CB-CB 4.01Å; L176-N181 HydrophobicContact CD2-CB 4.06Å
177	N	98.5	Very high	97.7	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	41%	0.406	C	S	.	.			trans	-89.2	62.3	175.1	-173.4	34.1	0	0	0	111.4	C153 L154 E165 C167 C175 R185	C153-N177 HydrophobicContact CB-CB 3.43Å; C153-N177 VanDerWaalsContact CB-CB 3.43Å; C153-N177 WeakPolarHBondContact O-CB 3.48Å; L154-N177 HydrophobicContact CD2-CB 4.41Å; E165-N177 PolarHBondContact O-ND2 3.17Å; E165-N177 PolarHBondContact O-OD1 3.28Å; C167-N177 PolarHBondContact N-ND2 3.47Å; C167-N177 PolarHBondContact N-O 2.83Å; C167-N177 PolarHBondContact SG-ND2 3.17Å; C167-N177 VanDerWaalsContact SG-ND2 3.4Å; C175-N177 PolarHBondContact SG-N 3.22Å; N177-R185 WeakPolarHBondContact OD1-CD 3.3Å; N177-R185 PolarHBondContact OD1-NE 2.85Å
178	N	97.9	Very high	97.7	Very high	39 Å²	39	73.1 Å²	73.1	21%	0.209	41%	0.405	C	S	.	.	S	Bend	trans	-148.1	167.6	-179.8	51.1	54.8	0	0	0	109.8	C175 L176 T180 N181	C175-N178 PolarHBondContact O-ND2 3.46Å; L176-N178 VanDerWaalsContact C-N 3.28Å; L176-N178 PolarHBondContact O-N 3.43Å; L176-N178 VanDerWaalsContact O-N 3.16Å; N178-T180 VanDerWaalsContact C-N 3.26Å; N178-T180 PolarHBondContact O-N 3.19Å; N178-T180 PolarHBondContact OD1-N 3.38Å; N178-N181 PolarHBondContact O-N 3.38Å; N178-N181 PolarHBondContact OD1-N 2.88Å; N178-N181 PolarHBondContact OD1-ND2 3.18Å
179	L	96.2	Very high	97.8	Very high	132 Å²	132	68.1 Å²	68.1	69%	0.691	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-62.5	-30	-177.1	-71.3	166.7	0	0	0	113.4	F166 N181	F166-L179 HydrophobicContact CE1-CD2 3.99Å; F166-L179 HydrophobicContact CE1-CG 4.19Å; F166-L179 HydrophobicContact CE2-CD2 3.81Å; F166-L179 HydrophobicContact CE2-CG 4.23Å; F166-L179 HydrophobicContact CZ-CD2 3.39Å; F166-L179 HydrophobicContact CZ-CG 3.96Å; L179-N181 VanDerWaalsContact C-N 3.3Å; L179-N181 PolarHBondContact O-N 3.28Å
180	T	97.6	Very high	97.9	Very high	130 Å²	130	72.1 Å²	72.1	80%	0.798	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-65.2	-33	-179.8	-45.6	0	0	0	0	112.5	N178	N178-T180 VanDerWaalsContact C-N 3.26Å; N178-T180 PolarHBondContact O-N 3.19Å; N178-T180 PolarHBondContact OD1-N 3.38Å
181	N	97.4	Very high	97.9	Very high	47 Å²	47	73.1 Å²	73.1	25%	0.251	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-108.2	33.9	-176.2	-60.8	-75.4	0	0	0	112.2	L176 N178 L179 M183 D184 R185	L176-N181 HydrophobicContact CB-CB 4.01Å; L176-N181 HydrophobicContact CD2-CB 4.06Å; N178-N181 PolarHBondContact O-N 3.38Å; N178-N181 PolarHBondContact OD1-N 2.88Å; N178-N181 PolarHBondContact OD1-ND2 3.18Å; L179-N181 VanDerWaalsContact C-N 3.3Å; L179-N181 PolarHBondContact O-N 3.28Å; N181-M183 PolarHBondContact O-N 3.12Å; N181-M183 VanDerWaalsContact O-N 3.16Å; N181-D184 PolarHBondContact O-N 2.97Å; N181-R185 PolarHBondContact O-N 3.42Å
182	E	96.2	Very high	97.8	Very high	60 Å²	60	67.3 Å²	67.3	28%	0.28	36%	0.358	S	S	.	.	H	α-helix	trans	-61.7	-26	-172.9	-175.6	51.4	-126.5	0	0	113.4	R185 S186	E182-R185 IonicContact OE1-NH1 2.73Å; E182-R185 WeakPolarHBondContact OE2-CD 3.19Å; E182-R185 IonicContact OE2-CZ 3.89Å; E182-R185 IonicContact OE2-NH1 2.71Å; E182-R185 PolarHBondContact OE2-NH1 3.25Å; E182-S186 WeakPolarHBondContact O-CB 3.47Å; E182-S186 PolarHBondContact O-N 2.8Å; E182-S186 PolarHBondContact O-OG 3.21Å; E182-S186 PolarHBondContact OE1-OG 3.15Å
183	M	97.2	Very high	97.8	Very high	165 Å²	165	69.7 Å²	69.7	81%	0.813	37%	0.369	S	S	*	.	H	α-helix	trans	-62.6	-51	174.2	-65	-167.7	-67.4	0	0	112.4	N181 S186 K187	N181-M183 PolarHBondContact O-N 3.12Å; N181-M183 VanDerWaalsContact O-N 3.16Å; M183-S186 PolarHBondContact O-N 3.43Å; M183-K187 WeakPolarHBondContact O-CB 3.4Å; M183-K187 PolarHBondContact O-N 3.26Å
184	D	98.3	Very high	97.7	Very high	72 Å²	72	74.1 Å²	74.1	39%	0.385	39%	0.385	S	S	.	.	H	α-helix	trans	-67.1	-38.9	177.9	-67	-72.6	0	0	0	111.6	L154 N181 K187 A188	L154-D184 HydrophobicContact CD1-CB 3.82Å; N181-D184 PolarHBondContact O-N 2.97Å; D184-K187 PolarHBondContact O-N 3.43Å; D184-A188 WeakPolarHBondContact O-CB 3.15Å; D184-A188 PolarHBondContact O-N 3.35Å
185	R	98.4	Very high	97.7	Very high	23 Å²	23	76.6 Å²	76.6	9%	0.087	38%	0.384	C	S	.	.	H	α-helix	trans	-60.4	-49.6	174	-172.8	176.2	174.1	-90.8	-4.1	112.1	L154 F161 G164 F166 N177 N181 E182 K187 A188 I189	L154-R185 HydrophobicContact CD2-CB 4.05Å; L154-R185 HydrophobicContact CD2-CG 4.24Å; F161-R185 HydrophobicContact CE2-CG 4.5Å; G164-R185 PolarHBondContact O-NH2 3.16Å; F166-R185 VanDerWaalsContact CE1-NE 3.28Å; N177-R185 WeakPolarHBondContact OD1-CD 3.3Å; N177-R185 PolarHBondContact OD1-NE 2.85Å; N181-R185 PolarHBondContact O-N 3.42Å; E182-R185 IonicContact OE1-NH1 2.73Å; E182-R185 WeakPolarHBondContact OE2-CD 3.19Å; E182-R185 IonicContact OE2-CZ 3.89Å; E182-R185 IonicContact OE2-NH1 2.71Å; E182-R185 PolarHBondContact OE2-NH1 3.25Å; R185-K187 VanDerWaalsContact C-N 3.33Å; R185-K187 PolarHBondContact O-N 3.33Å; R185-A188 PolarHBondContact O-N 2.92Å; R185-I189 HydrophobicContact CG-CD1 4.05Å; R185-I189 WeakPolarHBondContact O-CG1 2.98Å; R185-I189 PolarHBondContact O-N 2.98Å
186	S	97.9	Very high	97.4	Very high	43 Å²	43	78.3 Å²	78.3	30%	0.301	39%	0.392	S	S	.	.	H	α-helix	trans	-61.1	-38.5	175.5	-88.2	0	0	0	0	112.6	E182 M183 K190	E182-S186 WeakPolarHBondContact O-CB 3.47Å; E182-S186 PolarHBondContact O-N 2.8Å; E182-S186 PolarHBondContact O-OG 3.21Å; E182-S186 PolarHBondContact OE1-OG 3.15Å; M183-S186 PolarHBondContact O-N 3.43Å; S186-K190 VanDerWaalsContact O-CG 3.31Å; S186-K190 WeakPolarHBondContact O-CG 3.48Å; S186-K190 PolarHBondContact O-N 3.04Å; S186-K190 VanDerWaalsContact O-N 3.12Å
187	K	98.3	Very high	97.1	Very high	155 Å²	155	81.2 Å²	81.2	67%	0.674	41%	0.413	S	S	*	.	H	α-helix	trans	-64.1	-43.2	173.7	-174.4	178.1	179.2	-179.7	0	111.7	M183 D184 R185 K190 S191	M183-K187 WeakPolarHBondContact O-CB 3.4Å; M183-K187 PolarHBondContact O-N 3.26Å; D184-K187 PolarHBondContact O-N 3.43Å; R185-K187 VanDerWaalsContact C-N 3.33Å; R185-K187 PolarHBondContact O-N 3.33Å; K187-K190 PolarHBondContact O-N 3.39Å; K187-S191 PolarHBondContact O-N 3.06Å
188	A	98.4	Very high	96.7	Very high	15 Å²	15	85.2 Å²	85.2	12%	0.124	43%	0.433	C	S	.	.	H	α-helix	trans	-66.6	-40.2	177.8	0	0	0	0	0	113	L154 F161 D184 R185 S191 C192	L154-A188 HydrophobicContact CB-CB 3.77Å; L154-A188 HydrophobicContact CD1-CB 4.26Å; L154-A188 HydrophobicContact CD2-CB 4.24Å; L154-A188 HydrophobicContact CG-CB 4.31Å; F161-A188 HydrophobicContact CE2-CB 4.25Å; F161-A188 HydrophobicContact CZ-CB 3.95Å; D184-A188 WeakPolarHBondContact O-CB 3.15Å; D184-A188 PolarHBondContact O-N 3.35Å; R185-A188 PolarHBondContact O-N 2.92Å; A188-S191 PolarHBondContact O-N 3.29Å; A188-C192 WeakPolarHBondContact O-CB 3.42Å; A188-C192 PolarHBondContact O-N 3.42Å; A188-C192 PolarHBondContact O-SG 3.03Å
189	I	98.1	Very high	96.5	Very high	42 Å²	42	84 Å²	84	22%	0.215	43%	0.429	C	S	.	.	H	α-helix	trans	-60.4	-49.4	174.8	-70.6	166	0	0	0	110.3	F161 R185 S191 C192 L193 F200	F161-I189 HydrophobicContact CE2-CG1 3.93Å; F161-I189 HydrophobicContact CZ-CG1 4.01Å; R185-I189 HydrophobicContact CG-CD1 4.05Å; R185-I189 WeakPolarHBondContact O-CG1 2.98Å; R185-I189 PolarHBondContact O-N 2.98Å; I189-S191 PolarHBondContact O-N 3.01Å; I189-C192 PolarHBondContact O-N 3.18Å; I189-C192 VanDerWaalsContact O-N 3.12Å; I189-L193 HydrophobicContact CG2-CD1 4.1Å; I189-L193 PolarHBondContact O-N 2.94Å; I189-F200 HydrophobicContact CB-CE2 4.44Å; I189-F200 HydrophobicContact CB-CZ 4.42Å; I189-F200 HydrophobicContact CG1-CZ 4.13Å; I189-F200 HydrophobicContact CG2-CE2 3.96Å; I189-F200 HydrophobicContact CG2-CZ 4.37Å
190	K	98	Very high	96.4	Very high	148 Å²	148	80.4 Å²	80.4	64%	0.643	41%	0.408	S	S	*	.	H	α-helix	trans	-56.6	-49.9	177	-72.1	170.3	-176.6	176.2	0	111.9	S186 K187 C192 L193 E194	S186-K190 VanDerWaalsContact O-CG 3.31Å; S186-K190 WeakPolarHBondContact O-CG 3.48Å; S186-K190 PolarHBondContact O-N 3.04Å; S186-K190 VanDerWaalsContact O-N 3.12Å; K187-K190 PolarHBondContact O-N 3.39Å; K190-C192 VanDerWaalsContact C-N 3.25Å; K190-C192 PolarHBondContact O-N 2.98Å; K190-L193 PolarHBondContact O-N 3.28Å; K190-E194 WeakPolarHBondContact O-CB 3.42Å; K190-E194 PolarHBondContact O-N 2.89Å
191	S	97.9	Very high	96	Very high	51 Å²	51	78.3 Å²	78.3	36%	0.357	39%	0.389	S	S	.	.	H	α-helix	trans	-66.2	-22.2	178.1	-176.6	0	0	0	0	114	K187 A188 I189 R195	K187-S191 PolarHBondContact O-N 3.06Å; A188-S191 PolarHBondContact O-N 3.29Å; I189-S191 PolarHBondContact O-N 3.01Å; S191-R195 WeakPolarHBondContact O-CG 3.4Å; S191-R195 PolarHBondContact O-NE 3.2Å
192	C	97.2	Very high	95.5	Very high	4 Å²	4	80.9 Å²	80.9	3%	0.027	41%	0.408	C	S	.	.	H	α-helix	trans	-76.6	-43.9	170.7	-69.6	0	0	0	0	112	A188 I189 K190 R195 N196 A199 F200	A188-C192 WeakPolarHBondContact O-CB 3.42Å; A188-C192 PolarHBondContact O-N 3.42Å; A188-C192 PolarHBondContact O-SG 3.03Å; I189-C192 PolarHBondContact O-N 3.18Å; I189-C192 VanDerWaalsContact O-N 3.12Å; K190-C192 VanDerWaalsContact C-N 3.25Å; K190-C192 PolarHBondContact O-N 2.98Å; C192-R195 PolarHBondContact O-N 2.91Å; C192-R195 PolarHBondContact SG-NH2 2.85Å; C192-R195 VanDerWaalsContact SG-NH2 3.38Å; C192-N196 PolarHBondContact O-N 3.16Å; C192-A199 HydrophobicContact CB-CB 4.32Å; C192-F200 HydrophobicContact CB-CE2 3.75Å; C192-F200 HydrophobicContact CB-CZ 3.76Å
193	L	96.6	Very high	95.1	Very high	75 Å²	75	83.7 Å²	83.7	39%	0.393	42%	0.419	S	S	.	.	H	α-helix	trans	-66.7	-37	177.8	-72.8	171.2	0	0	0	112.9	I189 K190 R195 N196 P197 F200	I189-L193 HydrophobicContact CG2-CD1 4.1Å; I189-L193 PolarHBondContact O-N 2.94Å; K190-L193 PolarHBondContact O-N 3.28Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 PolarHBondContact O-N 3.31Å; L193-N196 WeakPolarHBondContact CA-O 3.45Å; L193-N196 CarbonylContact O-C 3.56Å; L193-N196 PolarHBondContact O-N 3.01Å; L193-P197 WeakPolarHBondContact O-CA 3.43Å; L193-F200 HydrophobicContact CD2-CD2 3.88Å; L193-F200 HydrophobicContact CD2-CE2 4.35Å; L193-F200 HydrophobicContact CG-CD2 4.05Å; L193-F200 HydrophobicContact CG-CE2 4.05Å
194	E	97.3	Very high	94.6	Very high	163 Å²	163	77.2 Å²	77.2	76%	0.762	39%	0.388	S	S	*	.	H	α-helix	trans	-58.9	-38.7	174.6	-176.2	-178.6	-172.1	0	0	112.5	K190	K190-E194 WeakPolarHBondContact O-CB 3.42Å; K190-E194 PolarHBondContact O-N 2.89Å
195	R	96.5	Very high	93.3	Very high	180 Å²	180	74.7 Å²	74.7	68%	0.679	38%	0.379	S	S	*	.	H	α-helix	trans	-83.2	-26	178	-67.8	179.4	-66.1	146.3	2.9	113.6	S191 C192 L193	S191-R195 WeakPolarHBondContact O-CG 3.4Å; S191-R195 PolarHBondContact O-NE 3.2Å; C192-R195 PolarHBondContact O-N 2.91Å; C192-R195 PolarHBondContact SG-NH2 2.85Å; C192-R195 VanDerWaalsContact SG-NH2 3.38Å; L193-R195 VanDerWaalsContact C-N 3.29Å; L193-R195 PolarHBondContact O-N 3.31Å
196	N	92.2	Very high	91.3	Very high	64 Å²	64	80.6 Å²	80.6	34%	0.342	41%	0.407	S	S	.	.			trans	-156.7	110	175	174.3	20.2	0	0	0	109.6	C192 L193 L198 A199	C192-N196 PolarHBondContact O-N 3.16Å; L193-N196 WeakPolarHBondContact CA-O 3.45Å; L193-N196 CarbonylContact O-C 3.56Å; L193-N196 PolarHBondContact O-N 3.01Å; N196-L198 PolarHBondContact O-N 2.9Å; N196-L198 PolarHBondContact OD1-N 3.18Å; N196-A199 HydrophobicContact CB-CB 4.25Å; N196-A199 PolarHBondContact ND2-N 3.46Å; N196-A199 WeakPolarHBondContact O-CB 3.26Å; N196-A199 PolarHBondContact O-N 3.06Å
197	P	94	Very high	89.2	Confident	98 Å²	98	83.7 Å²	83.7	64%	0.636	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.5	-179.5	26	-34.6	0	0	0	113.1	L193	L193-P197 WeakPolarHBondContact O-CA 3.43Å
198	L	89.7	Confident	86.9	Confident	83 Å²	83	78.3 Å²	78.3	44%	0.435	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	15.5	177.2	-41.4	-177.8	0	0	0	112.4	N196 F200 Q201	N196-L198 PolarHBondContact O-N 2.9Å; N196-L198 PolarHBondContact OD1-N 3.18Å; L198-F200 VanDerWaalsContact C-N 3.27Å; L198-F200 PolarHBondContact O-N 3.2Å; L198-Q201 HydrophobicContact CB-CB 4.48Å; L198-Q201 PolarHBondContact O-N 2.88Å
199	A	92.8	Very high	84.6	Confident	13 Å²	13	88.1 Å²	88.1	11%	0.107	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.9	-172	0	0	0	0	0	115.3	L156 C192 N196	L156-A199 HydrophobicContact CD1-CB 4.18Å; C192-A199 HydrophobicContact CB-CB 4.32Å; N196-A199 HydrophobicContact CB-CB 4.25Å; N196-A199 PolarHBondContact ND2-N 3.46Å; N196-A199 WeakPolarHBondContact O-CB 3.26Å; N196-A199 PolarHBondContact O-N 3.06Å
200	F	93.5	Very high	82.3	Confident	57 Å²	57	90 Å²	90	25%	0.25	47%	0.471	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	15.4	-178.4	-57.4	-79.1	0	0	0	112.5	L156 F161 I189 C192 L193 L198	L156-F200 HydrophobicContact CD2-CD1 4.1Å; L156-F200 HydrophobicContact CD2-CE1 3.66Å; L156-F200 HydrophobicContact CD2-CZ 4.17Å; F161-F200 HydrophobicContact CD1-CE1 4.07Å; F161-F200 AromaticContact CE1-CE1 3.76Å; F161-F200 HydrophobicContact CE1-CE1 3.76Å; F161-F200 AromaticContact CE1-CZ 3.74Å; F161-F200 HydrophobicContact CE1-CZ 3.74Å; F161-F200 HydrophobicContact CZ-CE1 4.16Å; F161-F200 AromaticContact CZ-CZ 3.89Å; F161-F200 HydrophobicContact CZ-CZ 3.89Å; F161-F200 VanDerWaalsContact O-CE1 3.3Å; F161-F200 WeakPolarHBondContact O-CE1 3.47Å; I189-F200 HydrophobicContact CB-CE2 4.44Å; I189-F200 HydrophobicContact CB-CZ 4.42Å; I189-F200 HydrophobicContact CG1-CZ 4.13Å; I189-F200 HydrophobicContact CG2-CE2 3.96Å; I189-F200 HydrophobicContact CG2-CZ 4.37Å; C192-F200 HydrophobicContact CB-CE2 3.75Å; C192-F200 HydrophobicContact CB-CZ 3.76Å; L193-F200 HydrophobicContact CD2-CD2 3.88Å; L193-F200 HydrophobicContact CD2-CE2 4.35Å; L193-F200 HydrophobicContact CG-CD2 4.05Å; L193-F200 HydrophobicContact CG-CE2 4.05Å; L198-F200 VanDerWaalsContact C-N 3.27Å; L198-F200 PolarHBondContact O-N 3.2Å
201	Q	89.3	Confident	80	Confident	86 Å²	86	90.6 Å²	90.6	40%	0.402	47%	0.474	S	S	.	.	S	Bend	trans	-87.5	152.3	170.1	-68	-172.9	-6.6	0	0	110.3	L198 K203	L198-Q201 HydrophobicContact CB-CB 4.48Å; L198-Q201 PolarHBondContact O-N 2.88Å; Q201-K203 PolarHBondContact O-N 3.46Å
202	P	87.8	Confident	77.8	Confident	102 Å²	102	94 Å²	94	66%	0.662	51%	0.505	S	S	*	.			trans	-51.5	127.2	171.3	-27.3	36.1	0	0	0	111.4	I204	P202-I204 WeakPolarHBondContact CB-O 3.43Å; P202-I204 PolarHBondContact O-N 3.47Å
203	K	88.4	Confident	75.6	Confident	118 Å²	118	101 Å²	101	51%	0.513	54%	0.542	S	S	.	.	S	Bend	trans	-67	-29.2	-179.9	-62.1	-180	-175.9	175.2	0	112.2	Q201 H218 N219 E235	Q201-K203 PolarHBondContact O-N 3.46Å; K203-H218 PolarHBondContact O-CD2 2.9Å; K203-H218 VanDerWaalsContact O-CD2 3.3Å; K203-N219 PolarHBondContact O-N 3.36Å; K203-N219 PolarHBondContact O-OD1 3.42Å; K203-E235 WeakPolarHBondContact CD-OE1 3.47Å; K203-E235 WeakPolarHBondContact CE-OE1 3.45Å; K203-E235 IonicContact NZ-OE1 3.52Å; K203-E235 PolarHBondContact NZ-OE1 3.37Å
204	I	86.3	Confident	73.8	Confident	30 Å²	30	100.9 Å²	100.9	15%	0.154	54%	0.544	C	S	.	.	B	Isolated β-bridge	trans	-105	140.5	177.3	-45.2	-59.2	0	0	0	106.7	P202 R216 L217 H218 A239 V241	P202-I204 WeakPolarHBondContact CB-O 3.43Å; P202-I204 PolarHBondContact O-N 3.47Å; I204-R216 HydrophobicContact CG2-CB 4.21Å; I204-L217 WeakPolarHBondContact CA-O 3.35Å; I204-H218 HydrophobicContact CD1-CB 3.64Å; I204-A239 HydrophobicContact CD1-CB 3.83Å; I204-A239 HydrophobicContact CG1-CB 3.56Å; I204-V241 HydrophobicContact CD1-CG2 4.03Å; I204-V241 HydrophobicContact CG2-CG1 3.89Å; I204-V241 HydrophobicContact CG2-CG2 4.49Å
205	G	70.1	Confident	72.3	Confident	18 Å²	18	99.3 Å²	99.3	19%	0.186	54%	0.537	C	S	.	.	S	Bend	trans	-43.5	142.6	-175.9	0	0	0	0	0	114.2	L217 N219	G205-L217 PolarHBondContact N-O 3.33Å; G205-L217 VanDerWaalsContact N-O 3.16Å; G205-N219 PolarHBondContact N-OD1 2.88Å
206	E	56.9	Low	71.6	Confident	147 Å²	147	97.5 Å²	97.5	69%	0.687	53%	0.53	S	S	*	.				-113.7	109.8	53.1	-63.9	154.6	-167.4	0	0	114.5
207	L	53.5	Low	71.4	Confident	108 Å²	108	96.5 Å²	96.5	57%	0.565	53%	0.525	S	S	*	.			trans	-96.3	2.9	166.9	-154.2	81.3	0	0	0	112.5
208	S	49.5	Very low	71.2	Confident	43 Å²	43	92 Å²	92	30%	0.301	50%	0.495	S	S	.	.			trans	-131.3	81.4	-173.8	43.6	0	0	0	0	110.3	G210 T214	S208-G210 PolarHBondContact O-N 3.18Å; S208-G210 VanDerWaalsContact O-N 3.12Å; S208-T214 WeakPolarHBondContact OG-CB 3.39Å; S208-T214 WeakPolarHBondContact OG-CG2 3.33Å; S208-T214 PolarHBondContact OG-OG1 3.11Å
209	K	50.7	Low	71.1	Confident	220 Å²	220	89.8 Å²	89.8	96%	0.957	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	118.7	161.2	-75.1	-175.3	171	-171.7	0	108.4
210	G	50.2	Low	71	Confident	81 Å²	81	97 Å²	97	84%	0.835	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.4	7.3	170.5	0	0	0	0	0	118	S208	S208-G210 PolarHBondContact O-N 3.18Å; S208-G210 VanDerWaalsContact O-N 3.12Å
211	K	49.3	Very low	71	Confident	162 Å²	162	94.3 Å²	94.3	70%	0.704	50%	0.501	S	S	*	.			trans	-130.8	105.9	162.7	-75.3	-166.4	174.7	-170.8	0	110.8	D213 T214	K211-D213 PolarHBondContact O-N 3Å; K211-D213 VanDerWaalsContact O-N 3.11Å; K211-T214 PolarHBondContact O-N 3.12Å; K211-T214 PolarHBondContact O-OG1 3.12Å
212	A	52.5	Low	71.4	Confident	121 Å²	121	90.3 Å²	90.3	100%	1	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.5	-178.2	0	0	0	0	0	114.1
213	D	51.1	Low	71.9	Confident	152 Å²	152	89.9 Å²	89.9	81%	0.813	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	30.1	178.9	-161.9	30.1	0	0	0	112.4	K211 E215	K211-D213 PolarHBondContact O-N 3Å; K211-D213 VanDerWaalsContact O-N 3.11Å; D213-E215 PolarHBondContact O-N 2.96Å
214	T	57.9	Low	72.4	Confident	72 Å²	72	85 Å²	85	44%	0.442	46%	0.455	S	S	.	.			trans	-77.8	107	161.2	-58.6	0	0	0	0	108.5	S208 K211 R216	S208-T214 WeakPolarHBondContact OG-CB 3.39Å; S208-T214 WeakPolarHBondContact OG-CG2 3.33Å; S208-T214 PolarHBondContact OG-OG1 3.11Å; K211-T214 PolarHBondContact O-N 3.12Å; K211-T214 PolarHBondContact O-OG1 3.12Å; T214-R216 PolarHBondContact O-N 3.43Å
215	E	66.3	Low	72.9	Confident	130 Å²	130	91.7 Å²	91.7	61%	0.607	48%	0.483	S	S	*	.			trans	-38.6	135.1	171.4	-65.9	178.8	160.6	0	0	111.7	D213 L217	D213-E215 PolarHBondContact O-N 2.96Å; E215-L217 VanDerWaalsContact C-N 3.28Å; E215-L217 HydrophobicContact CB-CD1 4.18Å; E215-L217 HydrophobicContact CB-CD2 3.8Å; E215-L217 HydrophobicContact CB-CG 3.7Å; E215-L217 WeakPolarHBondContact O-CG 3.39Å; E215-L217 PolarHBondContact O-N 3.05Å
216	R	82.3	Confident	74.2	Confident	143 Å²	143	100.5 Å²	100.5	54%	0.54	52%	0.516	S	S	.	.			trans	-70.3	87.5	176	-62.6	-176.8	103.6	153.9	6.1	108.6	I204 T214 V241 E311	I204-R216 HydrophobicContact CG2-CB 4.21Å; T214-R216 PolarHBondContact O-N 3.43Å; R216-V241 HydrophobicContact CB-CG1 3.97Å; R216-V241 WeakPolarHBondContact O-CB 3.32Å; R216-V241 WeakPolarHBondContact O-CG1 3.22Å; R216-E311 IonicContact NH1-OE1 2.86Å; R216-E311 PolarHBondContact NH1-OE1 2.93Å
217	L	87	Confident	76.1	Confident	42 Å²	42	94.1 Å²	94.1	22%	0.22	49%	0.488	C	S	.	.			trans	-106.9	151.3	-176.5	-59.7	-174.9	0	0	0	111.9	I204 G205 E215 N219 T244	I204-L217 WeakPolarHBondContact CA-O 3.35Å; G205-L217 PolarHBondContact N-O 3.33Å; G205-L217 VanDerWaalsContact N-O 3.16Å; E215-L217 VanDerWaalsContact C-N 3.28Å; E215-L217 HydrophobicContact CB-CD1 4.18Å; E215-L217 HydrophobicContact CB-CD2 3.8Å; E215-L217 HydrophobicContact CB-CG 3.7Å; E215-L217 WeakPolarHBondContact O-CG 3.39Å; E215-L217 PolarHBondContact O-N 3.05Å; L217-N219 PolarHBondContact O-N 3.35Å; L217-N219 PolarHBondContact O-OD1 3.45Å; L217-T244 HydrophobicContact CD1-CG2 4.13Å; L217-T244 HydrophobicContact CD2-CG2 3.55Å; L217-T244 HydrophobicContact CG-CG2 4.31Å
218	H	89.6	Confident	78.2	Confident	4 Å²	4	90.9 Å²	90.9	2%	0.019	47%	0.474	C	S	.	.	B	Isolated β-bridge	trans	-77.3	111.1	171	-179.9	-159.9	0	0	0	110.5	K203 I204 K220 G221 C222 E235 C236	K203-H218 PolarHBondContact O-CD2 2.9Å; K203-H218 VanDerWaalsContact O-CD2 3.3Å; I204-H218 HydrophobicContact CD1-CB 3.64Å; H218-K220 VanDerWaalsContact C-N 3.32Å; H218-K220 PolarHBondContact O-N 2.89Å; H218-G221 PolarHBondContact CE1-O 3.23Å; H218-G221 VanDerWaalsContact ND1-C 3.3Å; H218-G221 WeakPolarHBondContact ND1-CA 3.21Å; H218-G221 PolarHBondContact O-N 3.49Å; H218-C222 PolarHBondContact ND1-N 3.4Å; H218-E235 IonicContact CE1-OE2 3.11Å; H218-E235 PolarHBondContact CE1-OE2 2.95Å; H218-E235 IonicContact NE2-OE2 2.65Å; H218-C236 PolarHBondContact ND1-SG 3.14Å; H218-C236 VanDerWaalsContact ND1-SG 3.4Å
219	N	87.3	Confident	80.5	Confident	37 Å²	37	88.9 Å²	88.9	20%	0.198	46%	0.46	C	S	.	.	S	Bend	trans	-59	-36.1	-170.9	-68.6	54.6	0	0	0	114.1	K203 G205 L217 R246	K203-N219 PolarHBondContact O-N 3.36Å; K203-N219 PolarHBondContact O-OD1 3.42Å; G205-N219 PolarHBondContact N-OD1 2.88Å; L217-N219 PolarHBondContact O-N 3.35Å; L217-N219 PolarHBondContact O-OD1 3.45Å; N219-R246 PolarHBondContact O-NE 3.45Å; N219-R246 PolarHBondContact O-NH2 3.48Å
220	K	90.8	Very high	82.7	Confident	164 Å²	164	80.8 Å²	80.8	71%	0.713	43%	0.427	S	S	*	.	S	Bend	trans	-90.8	-26.2	179.3	-170.9	173.2	178.2	179.2	0	113.4	H218	H218-K220 VanDerWaalsContact C-N 3.32Å; H218-K220 PolarHBondContact O-N 2.89Å
221	G	94.5	Very high	84.9	Confident	1 Å²	1	82.6 Å²	82.6	1%	0.01	41%	0.412	C	S	.	.			trans	75.6	148.4	-166.1	0	0	0	0	0	112.8	H218 C247	H218-G221 PolarHBondContact CE1-O 3.23Å; H218-G221 VanDerWaalsContact ND1-C 3.3Å; H218-G221 WeakPolarHBondContact ND1-CA 3.21Å; H218-G221 PolarHBondContact O-N 3.49Å; G221-C247 VanDerWaalsContact CA-SG 3.58Å
222	C	97.4	Very high	87.1	Confident	1 Å²	1	79.8 Å²	79.8	1%	0.007	41%	0.405	C	S	.	.			trans	-85.5	164.8	-179.8	78.1	0	0	0	0	112.2	H218 C224 C234 C247 K248	H218-C222 PolarHBondContact ND1-N 3.4Å; C222-C224 VanDerWaalsContact SG-SG 3.63Å; C222-C234 VanDerWaalsContact SG-SG 3.67Å; C222-C247 PolarHBondContact N-SG 3.14Å; C222-C247 VanDerWaalsContact N-SG 3.38Å; C222-C247 CarbonylContact O-C 3.6Å; C222-C247 WeakPolarHBondContact O-CA 2.9Å; C222-K248 PolarHBondContact O-N 3.47Å
223	N	97.9	Very high	89.2	Confident	94 Å²	94	83.3 Å²	83.3	50%	0.503	39%	0.394	S	S	.	.			trans	-125.5	36	-177.8	-62.3	-93.1	0	0	0	111.5
224	C	98.4	Very high	91.4	Very high	14 Å²	14	76.1 Å²	76.1	10%	0.095	36%	0.355	C	S	.	.			trans	-66.6	136.7	-171.6	-61.7	0	0	0	0	112.6	C222 S227 C234 C249 Y250	C222-C224 VanDerWaalsContact SG-SG 3.63Å; C224-S227 WeakPolarHBondContact CB-OG 3.45Å; C224-C234 WeakPolarHBondContact SG-CB 3.37Å; C224-C234 VanDerWaalsContact SG-SG 3.65Å; C224-C249 HydrophobicContact CB-CB 3.98Å; C224-C249 CarbonylContact O-C 3.36Å; C224-C249 VanDerWaalsContact O-CA 3.24Å; C224-C249 WeakPolarHBondContact O-CA 3.5Å; C224-Y250 PolarHBondContact O-N 3.24Å
225	K	97.9	Very high	93.2	Very high	172 Å²	172	75.6 Å²	75.6	75%	0.748	35%	0.348	S	S	*	.	S	Bend	trans	-112.2	-30.4	177.7	-62.4	-172.4	179.2	-173.6	0	115.3
226	K	97.6	Very high	94.6	Very high	203 Å²	203	69.4 Å²	69.4	88%	0.883	32%	0.319	S	S	*	.	S	Bend	trans	-125.6	-12	-168.9	-60.5	-173	179.1	-172.8	0	115.2
227	S	97.1	Very high	95.3	Very high	13 Å²	13	65.2 Å²	65.2	9%	0.091	30%	0.303	C	S	.	.	S	Bend	trans	-88.3	-8.3	-175.5	55.5	0	0	0	0	113.8	C224 C229 L230	C224-S227 WeakPolarHBondContact CB-OG 3.45Å; S227-C229 PolarHBondContact O-N 2.82Å; S227-C229 PolarHBondContact OG-N 2.76Å; S227-L230 PolarHBondContact O-N 3.08Å
228	S	97.3	Very high	95.7	Very high	40 Å²	40	68.9 Å²	68.9	28%	0.28	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	23.4	-161.7	-65.2	0	0	0	0	113.8	L230 G251 R253	S228-L230 PolarHBondContact O-N 3.04Å; S228-G251 VanDerWaalsContact CA-O 3.27Å; S228-G251 WeakPolarHBondContact CA-O 3.47Å; S228-G251 WeakPolarHBondContact CB-O 3.17Å; S228-G251 PolarHBondContact OG-O 3.08Å; S228-G251 VanDerWaalsContact OG-O 3.05Å; S228-R253 PolarHBondContact O-N 3.08Å
229	C	98.2	Very high	95.8	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	23	-169.8	-55.2	0	0	0	0	114.4	S227 C234 Y237 C243 C249 N254	S227-C229 PolarHBondContact O-N 2.82Å; S227-C229 PolarHBondContact OG-N 2.76Å; C229-C234 HydrophobicContact CB-CB 4.25Å; C229-Y237 VanDerWaalsContact O-CB 3.27Å; C229-Y237 WeakPolarHBondContact O-CB 3.42Å; C229-Y237 WeakPolarHBondContact O-CD2 3.21Å; C229-C243 VanDerWaalsContact SG-SG 3.68Å; C229-C249 VanDerWaalsContact SG-CB 3.52Å; C229-N254 HydrophobicContact CB-CB 3.44Å; C229-N254 VanDerWaalsContact CB-CB 3.44Å; C229-N254 VanDerWaalsContact O-CB 3.29Å; C229-N254 WeakPolarHBondContact O-CB 3.5Å
230	L	96.1	Very high	96.1	Very high	51 Å²	51	77.7 Å²	77.7	27%	0.267	36%	0.359	S	S	.	.			trans	-106.5	16.4	-178.6	-59	-166.7	0	0	0	114.5	S227 S228 R253 N254 R262	S227-L230 PolarHBondContact O-N 3.08Å; S228-L230 PolarHBondContact O-N 3.04Å; L230-R253 HydrophobicContact CD1-CB 3.95Å; L230-R253 HydrophobicContact CD2-CB 3.98Å; L230-R253 WeakPolarHBondContact CD2-O 3.37Å; L230-R253 HydrophobicContact CG-CB 4Å; L230-N254 HydrophobicContact CD2-CB 4.41Å; L230-R262 VanDerWaalsContact CD2-CZ 3.49Å
231	K	96.8	Very high	96.3	Very high	119 Å²	119	70.4 Å²	70.4	52%	0.517	33%	0.328	S	S	.	.	S	Bend	trans	-141.4	154.8	-176.1	-58.7	-174.5	-179.7	-174.2	0	109	Y233 C234 Y237	K231-Y233 HydrophobicContact CB-CD2 3.73Å; K231-Y233 HydrophobicContact CB-CE2 4.31Å; K231-Y233 HydrophobicContact CD-CD2 4.17Å; K231-Y233 HydrophobicContact CD-CE2 4.14Å; K231-Y233 PolarHBondContact O-N 3.16Å; K231-C234 WeakPolarHBondContact O-CB 3.31Å; K231-C234 PolarHBondContact O-N 2.92Å; K231-Y237 VanDerWaalsContact C-CD1 3.4Å
232	N	96.1	Very high	96.3	Very high	102 Å²	102	70.7 Å²	70.7	55%	0.545	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-7.9	-178.4	-61.1	-3.4	0	0	0	114.5	C234 Y237	N232-C234 PolarHBondContact O-N 3.43Å; N232-Y237 WeakPolarHBondContact OD1-CD1 3.42Å; N232-Y237 WeakPolarHBondContact OD1-CE1 3.11Å
233	Y	95.9	Very high	96.2	Very high	196 Å²	196	71.2 Å²	71.2	77%	0.769	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-14.2	164	-52.2	-67.1	0	0	0	113.9	K231	K231-Y233 HydrophobicContact CB-CD2 3.73Å; K231-Y233 HydrophobicContact CB-CE2 4.31Å; K231-Y233 HydrophobicContact CD-CD2 4.17Å; K231-Y233 HydrophobicContact CD-CE2 4.14Å; K231-Y233 PolarHBondContact O-N 3.16Å
234	C	97.8	Very high	96.1	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.319	C	S	.	.	S	Bend	trans	-101.1	115.4	175	176.6	0	0	0	0	109.8	C222 C224 C229 K231 N232 C236 Y237 E238	C222-C234 VanDerWaalsContact SG-SG 3.67Å; C224-C234 WeakPolarHBondContact SG-CB 3.37Å; C224-C234 VanDerWaalsContact SG-SG 3.65Å; C229-C234 HydrophobicContact CB-CB 4.25Å; K231-C234 WeakPolarHBondContact O-CB 3.31Å; K231-C234 PolarHBondContact O-N 2.92Å; N232-C234 PolarHBondContact O-N 3.43Å; C234-C236 PolarHBondContact O-N 3.35Å; C234-C236 VanDerWaalsContact O-N 3.16Å; C234-Y237 PolarHBondContact O-N 2.76Å; C234-E238 WeakPolarHBondContact O-CB 3.3Å; C234-E238 PolarHBondContact O-N 2.92Å
235	E	94.6	Very high	95.9	Very high	62 Å²	62	75 Å²	75	29%	0.29	36%	0.359	S	S	.	.	H	α-helix	trans	-55	-34	179.2	-62.7	169.8	124.7	0	0	112.6	K203 H218 A239	K203-E235 WeakPolarHBondContact CD-OE1 3.47Å; K203-E235 WeakPolarHBondContact CE-OE1 3.45Å; K203-E235 IonicContact NZ-OE1 3.52Å; K203-E235 PolarHBondContact NZ-OE1 3.37Å; H218-E235 IonicContact CE1-OE2 3.11Å; H218-E235 PolarHBondContact CE1-OE2 2.95Å; H218-E235 IonicContact NE2-OE2 2.65Å; E235-A239 VanDerWaalsContact O-CB 3.3Å; E235-A239 WeakPolarHBondContact O-CB 3.47Å; E235-A239 PolarHBondContact O-N 2.95Å
236	C	96.6	Very high	95.7	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-67.8	-46	175.1	-51.2	0	0	0	0	111.6	H218 C234 A239 R240 V241	H218-C236 PolarHBondContact ND1-SG 3.14Å; H218-C236 VanDerWaalsContact ND1-SG 3.4Å; C234-C236 PolarHBondContact O-N 3.35Å; C234-C236 VanDerWaalsContact O-N 3.16Å; C236-A239 PolarHBondContact O-N 2.98Å; C236-R240 PolarHBondContact O-N 3.46Å; C236-V241 CarbonylContact C-O 3.54Å; C236-V241 VanDerWaalsContact C-O 3.26Å; C236-V241 HydrophobicContact CB-CG2 3.99Å; C236-V241 WeakPolarHBondContact CB-O 3.45Å; C236-V241 WeakPolarHBondContact O-CG2 3.42Å; C236-V241 PolarHBondContact O-N 3.43Å
237	Y	96.5	Very high	95.7	Very high	54 Å²	54	64.7 Å²	64.7	21%	0.212	31%	0.313	C	S	.	.	H	α-helix	trans	-67.2	-44.8	-179	-176.2	-92.3	0	0	0	112.1	C229 K231 N232 C234 A239 R240	C229-Y237 VanDerWaalsContact O-CB 3.27Å; C229-Y237 WeakPolarHBondContact O-CB 3.42Å; C229-Y237 WeakPolarHBondContact O-CD2 3.21Å; K231-Y237 VanDerWaalsContact C-CD1 3.4Å; N232-Y237 WeakPolarHBondContact OD1-CD1 3.42Å; N232-Y237 WeakPolarHBondContact OD1-CE1 3.11Å; C234-Y237 PolarHBondContact O-N 2.76Å; Y237-A239 VanDerWaalsContact C-N 3.31Å; Y237-A239 PolarHBondContact O-N 3.29Å; Y237-R240 PolarHBondContact O-N 3.24Å
238	E	95.1	Very high	95.7	Very high	119 Å²	119	72.4 Å²	72.4	56%	0.556	34%	0.344	S	S	*	.	H	α-helix	trans	-53.8	-48.9	174.8	-179.5	177.9	-150.9	0	0	110.9	C234 R240	C234-E238 WeakPolarHBondContact O-CB 3.3Å; C234-E238 PolarHBondContact O-N 2.92Å; E238-R240 PolarHBondContact O-N 2.85Å
239	A	93.1	Very high	95.7	Very high	43 Å²	43	71.8 Å²	71.8	36%	0.355	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	4.5	177	0	0	0	0	0	115.2	I204 E235 C236 Y237 V241	I204-A239 HydrophobicContact CD1-CB 3.83Å; I204-A239 HydrophobicContact CG1-CB 3.56Å; E235-A239 VanDerWaalsContact O-CB 3.3Å; E235-A239 WeakPolarHBondContact O-CB 3.47Å; E235-A239 PolarHBondContact O-N 2.95Å; C236-A239 PolarHBondContact O-N 2.98Å; Y237-A239 VanDerWaalsContact C-N 3.31Å; Y237-A239 PolarHBondContact O-N 3.29Å; A239-V241 HydrophobicContact CB-CG1 4.5Å; A239-V241 HydrophobicContact CB-CG2 4.35Å; A239-V241 PolarHBondContact O-N 3.32Å
240	R	93	Very high	95.7	Very high	183 Å²	183	80.6 Å²	80.6	69%	0.691	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	29.2	-177.2	-51.6	-59.7	-180	136.2	-0.6	114.6	C236 Y237 E238 R259	C236-R240 PolarHBondContact O-N 3.46Å; Y237-R240 PolarHBondContact O-N 3.24Å; E238-R240 PolarHBondContact O-N 2.85Å; R240-R259 VanDerWaalsContact C-NH2 3.28Å; R240-R259 PolarHBondContact O-NH1 3.31Å; R240-R259 PolarHBondContact O-NH2 3.37Å
241	V	93.9	Very high	95.8	Very high	12 Å²	12	80.2 Å²	80.2	7%	0.073	38%	0.383	C	S	.	.			trans	-111.6	151.7	174.8	-52.2	0	0	0	0	112	I204 R216 C236 A239 N254 R259	I204-V241 HydrophobicContact CD1-CG2 4.03Å; I204-V241 HydrophobicContact CG2-CG1 3.89Å; I204-V241 HydrophobicContact CG2-CG2 4.49Å; R216-V241 HydrophobicContact CB-CG1 3.97Å; R216-V241 WeakPolarHBondContact O-CB 3.32Å; R216-V241 WeakPolarHBondContact O-CG1 3.22Å; C236-V241 CarbonylContact C-O 3.54Å; C236-V241 VanDerWaalsContact C-O 3.26Å; C236-V241 HydrophobicContact CB-CG2 3.99Å; C236-V241 WeakPolarHBondContact CB-O 3.45Å; C236-V241 WeakPolarHBondContact O-CG2 3.42Å; C236-V241 PolarHBondContact O-N 3.43Å; A239-V241 HydrophobicContact CB-CG1 4.5Å; A239-V241 HydrophobicContact CB-CG2 4.35Å; A239-V241 PolarHBondContact O-N 3.32Å; V241-N254 PolarHBondContact O-ND2 2.94Å; V241-R259 VanDerWaalsContact C-NH1 3.26Å; V241-R259 PolarHBondContact O-NH2 2.81Å
242	S	94.9	Very high	95.8	Very high	6 Å²	6	76.4 Å²	76.4	4%	0.042	37%	0.371	C	S	.	.			trans	-70.8	162.8	179.3	60.9	0	0	0	0	111.9	N254 E256	S242-N254 CarbonylContact C-O 3.51Å; S242-N254 WeakPolarHBondContact CA-O 3.42Å; S242-N254 WeakPolarHBondContact CB-O 3.45Å; S242-E256 WeakPolarHBondContact CB-OE1 3.47Å; S242-E256 PolarHBondContact OG-OE1 2.67Å
243	C	96.3	Very high	95.8	Very high	13 Å²	13	78.9 Å²	78.9	9%	0.088	37%	0.373	C	S	.	.			trans	-83.7	118.2	165	-69.5	0	0	0	0	108.9	C229 C247 C252 N254	C229-C243 VanDerWaalsContact SG-SG 3.68Å; C243-C247 HydrophobicContact CB-CB 4.17Å; C243-C252 VanDerWaalsContact CB-SG 3.56Å; C243-N254 PolarHBondContact N-ND2 2.75Å; C243-N254 PolarHBondContact N-O 2.98Å; C243-N254 PolarHBondContact SG-ND2 3.38Å
244	T	94.2	Very high	95.9	Very high	34 Å²	34	69.6 Å²	69.6	21%	0.209	34%	0.336	C	S	.	.			trans	-92.6	177.2	174.7	63.6	0	0	0	0	111.8	L217 R246 C247	L217-T244 HydrophobicContact CD1-CG2 4.13Å; L217-T244 HydrophobicContact CD2-CG2 3.55Å; L217-T244 HydrophobicContact CG-CG2 4.31Å; T244-R246 PolarHBondContact O-N 3.02Å; T244-R246 PolarHBondContact OG1-N 2.9Å; T244-C247 VanDerWaalsContact O-CB 3.32Å; T244-C247 WeakPolarHBondContact O-CB 3.1Å; T244-C247 PolarHBondContact O-N 3.12Å
245	V	94.4	Very high	95.7	Very high	153 Å²	153	72 Å²	72	93%	0.927	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-15.8	172.4	-60.1	0	0	0	0	114.8	C247	V245-C247 VanDerWaalsContact C-N 3.29Å
246	R	94.1	Very high	95.6	Very high	141 Å²	141	74.2 Å²	74.2	53%	0.532	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-19.7	173.7	-57.9	174.6	79.6	138.6	3.4	112.5	N219 T244	N219-R246 PolarHBondContact O-NE 3.45Å; N219-R246 PolarHBondContact O-NH2 3.48Å; T244-R246 PolarHBondContact O-N 3.02Å; T244-R246 PolarHBondContact OG1-N 2.9Å
247	C	97.1	Very high	95.2	Very high	18 Å²	18	77.7 Å²	77.7	12%	0.122	39%	0.39	C	S	.	.			trans	-81.6	131.7	-177.9	-57.8	0	0	0	0	111.3	G221 C222 C243 T244 V245 C249	G221-C247 VanDerWaalsContact CA-SG 3.58Å; C222-C247 PolarHBondContact N-SG 3.14Å; C222-C247 VanDerWaalsContact N-SG 3.38Å; C222-C247 CarbonylContact O-C 3.6Å; C222-C247 WeakPolarHBondContact O-CA 2.9Å; C243-C247 HydrophobicContact CB-CB 4.17Å; T244-C247 VanDerWaalsContact O-CB 3.32Å; T244-C247 WeakPolarHBondContact O-CB 3.1Å; T244-C247 PolarHBondContact O-N 3.12Å; V245-C247 VanDerWaalsContact C-N 3.29Å; C247-C249 VanDerWaalsContact C-N 3.33Å; C247-C249 VanDerWaalsContact CB-SG 3.58Å; C247-C249 PolarHBondContact O-N 2.82Å
248	K	97.5	Very high	94.9	Very high	174 Å²	174	77.2 Å²	77.2	76%	0.757	39%	0.391	S	S	*	.			trans	-100.5	42.2	176.2	-56	-176.2	179.9	-172.7	0	110.9	C222	C222-K248 PolarHBondContact O-N 3.47Å
249	C	98.2	Very high	94.4	Very high	28 Å²	28	74.2 Å²	74.2	19%	0.189	38%	0.375	C	S	.	.			trans	-88.8	140.3	-177.2	47.6	0	0	0	0	112.3	C224 C229 C247	C224-C249 HydrophobicContact CB-CB 3.98Å; C224-C249 CarbonylContact O-C 3.36Å; C224-C249 VanDerWaalsContact O-CA 3.24Å; C224-C249 WeakPolarHBondContact O-CA 3.5Å; C229-C249 VanDerWaalsContact SG-CB 3.52Å; C247-C249 VanDerWaalsContact C-N 3.33Å; C247-C249 VanDerWaalsContact CB-SG 3.58Å; C247-C249 PolarHBondContact O-N 2.82Å
250	Y	97.9	Very high	93.8	Very high	185 Å²	185	75.8 Å²	75.8	73%	0.725	38%	0.384	S	S	*	.	S	Bend	trans	-93.8	138.8	176.3	-176	-98	0	0	0	111.1	C224 C252	C224-Y250 PolarHBondContact O-N 3.24Å; Y250-C252 VanDerWaalsContact C-N 3.28Å; Y250-C252 PolarHBondContact O-N 3.13Å
251	G	96.8	Very high	93.3	Very high	43 Å²	43	71.1 Å²	71.1	44%	0.443	38%	0.379	S	S	.	.	S	Bend	trans	57.8	37.8	179.5	0	0	0	0	0	113.6	S228	S228-G251 VanDerWaalsContact CA-O 3.27Å; S228-G251 WeakPolarHBondContact CA-O 3.47Å; S228-G251 WeakPolarHBondContact CB-O 3.17Å; S228-G251 PolarHBondContact OG-O 3.08Å; S228-G251 VanDerWaalsContact OG-O 3.05Å
252	C	97.8	Very high	92.5	Very high	39 Å²	39	74.6 Å²	74.6	26%	0.264	39%	0.39	S	S	.	.			trans	-63.2	132.2	-177.6	-171.3	0	0	0	0	111.6	C243 Y250 N254	C243-C252 VanDerWaalsContact CB-SG 3.56Å; Y250-C252 VanDerWaalsContact C-N 3.28Å; Y250-C252 PolarHBondContact O-N 3.13Å; C252-N254 PolarHBondContact SG-N 2.99Å; C252-N254 VanDerWaalsContact SG-N 3.42Å
253	R	97	Very high	91.5	Very high	154 Å²	154	79.5 Å²	79.5	58%	0.581	42%	0.416	S	S	*	.			trans	-124.9	23.1	170.2	-63.6	-174.8	178.5	-168.8	-1.6	111.8	S228 L230 D258 R262	S228-R253 PolarHBondContact O-N 3.08Å; L230-R253 HydrophobicContact CD1-CB 3.95Å; L230-R253 HydrophobicContact CD2-CB 3.98Å; L230-R253 WeakPolarHBondContact CD2-O 3.37Å; L230-R253 HydrophobicContact CG-CB 4Å; R253-D258 VanDerWaalsContact CA-OD2 3.23Å; R253-D258 WeakPolarHBondContact CA-OD2 3.44Å; R253-D258 WeakPolarHBondContact O-CB 3.39Å; R253-R262 PolarHBondContact O-NH2 3.09Å
254	N	96.6	Very high	90.3	Very high	0 Å²	0	88.5 Å²	88.5	0%	0	45%	0.448	C	S	.	.			trans	-113.1	36.9	177.5	-171.7	55.9	0	0	0	111.5	C229 L230 V241 S242 C243 C252 D258 R259	C229-N254 HydrophobicContact CB-CB 3.44Å; C229-N254 VanDerWaalsContact CB-CB 3.44Å; C229-N254 VanDerWaalsContact O-CB 3.29Å; C229-N254 WeakPolarHBondContact O-CB 3.5Å; L230-N254 HydrophobicContact CD2-CB 4.41Å; V241-N254 PolarHBondContact O-ND2 2.94Å; S242-N254 CarbonylContact C-O 3.51Å; S242-N254 WeakPolarHBondContact CA-O 3.42Å; S242-N254 WeakPolarHBondContact CB-O 3.45Å; C243-N254 PolarHBondContact N-ND2 2.75Å; C243-N254 PolarHBondContact N-O 2.98Å; C243-N254 PolarHBondContact SG-ND2 3.38Å; C252-N254 PolarHBondContact SG-N 2.99Å; C252-N254 VanDerWaalsContact SG-N 3.42Å; N254-D258 PolarHBondContact N-OD2 2.82Å; N254-R259 PolarHBondContact OD1-NE 2.85Å; N254-R259 PolarHBondContact OD1-NH2 2.92Å
255	T	94.8	Very high	88.8	Confident	52 Å²	52	88.3 Å²	88.3	32%	0.319	45%	0.453	S	S	.	.	S	Bend	trans	-75	170	167.3	70.3	0	0	0	0	110.2	A257 D258 R259	T255-A257 VanDerWaalsContact C-N 3.31Å; T255-A257 PolarHBondContact O-N 3.38Å; T255-A257 PolarHBondContact OG1-N 3.36Å; T255-D258 WeakPolarHBondContact CB-OD2 3.33Å; T255-D258 WeakPolarHBondContact CG2-OD2 3.28Å; T255-D258 PolarHBondContact N-OD2 3.05Å; T255-D258 PolarHBondContact O-N 2.78Å; T255-D258 VanDerWaalsContact OG1-CG 3.3Å; T255-D258 PolarHBondContact OG1-N 3.16Å; T255-D258 PolarHBondContact OG1-OD2 3.41Å; T255-R259 WeakPolarHBondContact O-CG 3.47Å; T255-R259 PolarHBondContact O-N 3.25Å
256	E	91.3	Very high	87.2	Confident	107 Å²	107	87.4 Å²	87.4	50%	0.5	44%	0.439	S	S	.	.	H	α-helix	trans	-61.6	-39.5	171.8	-65	-58.1	162	0	0	112	S242 D258 R259 S260	S242-E256 WeakPolarHBondContact CB-OE1 3.47Å; S242-E256 PolarHBondContact OG-OE1 2.67Å; E256-D258 PolarHBondContact O-N 3.21Å; E256-R259 WeakPolarHBondContact O-CB 3.05Å; E256-R259 PolarHBondContact O-N 3.3Å; E256-R259 VanDerWaalsContact O-N 3.1Å; E256-S260 PolarHBondContact O-N 2.91Å; E256-S260 PolarHBondContact O-OG 3.18Å
257	A	89.7	Confident	85.7	Confident	74 Å²	74	86.6 Å²	86.6	61%	0.612	45%	0.445	S	S	*	.	H	α-helix	trans	-60.2	-43.9	177	0	0	0	0	0	112.5	T255 R259 S260 S261	T255-A257 VanDerWaalsContact C-N 3.31Å; T255-A257 PolarHBondContact O-N 3.38Å; T255-A257 PolarHBondContact OG1-N 3.36Å; A257-R259 PolarHBondContact O-N 3.49Å; A257-S260 PolarHBondContact O-N 2.96Å; A257-S261 PolarHBondContact O-N 2.73Å; A257-S261 VanDerWaalsContact O-N 3.12Å
258	D	89.6	Confident	84.1	Confident	44 Å²	44	88.3 Å²	88.3	24%	0.235	46%	0.456	C	S	.	.	H	α-helix	trans	-62.9	-28.5	176.7	-63.8	-70.3	0	0	0	113	R253 N254 T255 E256 R262	R253-D258 VanDerWaalsContact CA-OD2 3.23Å; R253-D258 WeakPolarHBondContact CA-OD2 3.44Å; R253-D258 WeakPolarHBondContact O-CB 3.39Å; N254-D258 PolarHBondContact N-OD2 2.82Å; T255-D258 WeakPolarHBondContact CB-OD2 3.33Å; T255-D258 WeakPolarHBondContact CG2-OD2 3.28Å; T255-D258 PolarHBondContact N-OD2 3.05Å; T255-D258 PolarHBondContact O-N 2.78Å; T255-D258 VanDerWaalsContact OG1-CG 3.3Å; T255-D258 PolarHBondContact OG1-N 3.16Å; T255-D258 PolarHBondContact OG1-OD2 3.41Å; E256-D258 PolarHBondContact O-N 3.21Å; D258-R262 WeakPolarHBondContact O-CG 3.49Å; D258-R262 PolarHBondContact O-N 3.34Å; D258-R262 PolarHBondContact O-NE 3.16Å
259	R	84.6	Confident	82.3	Confident	55 Å²	55	85 Å²	85	21%	0.208	45%	0.447	C	S	.	.	H	α-helix	trans	-78.1	-46.6	-179.3	-74	171.8	162.3	-139.4	-13.1	111.1	R240 V241 N254 T255 E256 A257 S261 R262 N263	R240-R259 VanDerWaalsContact C-NH2 3.28Å; R240-R259 PolarHBondContact O-NH1 3.31Å; R240-R259 PolarHBondContact O-NH2 3.37Å; V241-R259 VanDerWaalsContact C-NH1 3.26Å; V241-R259 PolarHBondContact O-NH2 2.81Å; N254-R259 PolarHBondContact OD1-NE 2.85Å; N254-R259 PolarHBondContact OD1-NH2 2.92Å; T255-R259 WeakPolarHBondContact O-CG 3.47Å; T255-R259 PolarHBondContact O-N 3.25Å; E256-R259 WeakPolarHBondContact O-CB 3.05Å; E256-R259 PolarHBondContact O-N 3.3Å; E256-R259 VanDerWaalsContact O-N 3.1Å; A257-R259 PolarHBondContact O-N 3.49Å; R259-S261 VanDerWaalsContact C-N 3.26Å; R259-S261 PolarHBondContact O-N 3.37Å; R259-R262 PolarHBondContact O-N 3.21Å; R259-N263 WeakPolarHBondContact O-CB 3.24Å; R259-N263 PolarHBondContact O-N 3.01Å
260	S	80.8	Confident	80.6	Confident	77 Å²	77	89.1 Å²	89.1	54%	0.538	47%	0.467	S	S	.	.	H	α-helix	trans	-56.2	-42	173.4	-60.4	0	0	0	0	111.8	E256 A257 R264	E256-S260 PolarHBondContact O-N 2.91Å; E256-S260 PolarHBondContact O-OG 3.18Å; A257-S260 PolarHBondContact O-N 2.96Å; S260-R264 PolarHBondContact O-N 2.84Å; S260-R264 VanDerWaalsContact O-N 3.13Å
261	S	81.1	Confident	78.8	Confident	84 Å²	84	84.1 Å²	84.1	59%	0.587	46%	0.458	S	S	*	.	H	α-helix	trans	-62	-50.7	175.4	178.9	0	0	0	0	112.6	A257 R259 N263 R264 G265	A257-S261 PolarHBondContact O-N 2.73Å; A257-S261 VanDerWaalsContact O-N 3.12Å; R259-S261 VanDerWaalsContact C-N 3.26Å; R259-S261 PolarHBondContact O-N 3.37Å; S261-N263 PolarHBondContact O-N 3.05Å; S261-R264 PolarHBondContact O-N 3.26Å; S261-G265 PolarHBondContact O-N 3.41Å
262	R	78	Confident	76.8	Confident	85 Å²	85	88 Å²	88	32%	0.321	47%	0.468	S	S	.	.	H	α-helix	trans	-68.7	-32.3	-178.7	-75.9	177	-74.3	140.7	-6.9	113.6	L230 R253 D258 R259 G265 Q266	L230-R262 VanDerWaalsContact CD2-CZ 3.49Å; R253-R262 PolarHBondContact O-NH2 3.09Å; D258-R262 WeakPolarHBondContact O-CG 3.49Å; D258-R262 PolarHBondContact O-N 3.34Å; D258-R262 PolarHBondContact O-NE 3.16Å; R259-R262 PolarHBondContact O-N 3.21Å; R262-G265 PolarHBondContact O-N 3.35Å; R262-Q266 PolarHBondContact O-N 2.95Å; R262-Q266 VanDerWaalsContact O-N 3.12Å
263	N	73	Confident	74.9	Confident	109 Å²	109	91.4 Å²	91.4	58%	0.583	49%	0.488	S	S	*	.	H	α-helix	trans	-69.8	-39.6	175.9	-152.5	13.5	0	0	0	111.1	R259 S261 G265 Q266 L267	R259-N263 WeakPolarHBondContact O-CB 3.24Å; R259-N263 PolarHBondContact O-N 3.01Å; S261-N263 PolarHBondContact O-N 3.05Å; N263-G265 VanDerWaalsContact C-N 3.35Å; N263-G265 PolarHBondContact O-N 2.86Å; N263-Q266 PolarHBondContact O-N 2.9Å; N263-L267 PolarHBondContact O-N 3.42Å
264	R	71.8	Confident	73.1	Confident	202 Å²	202	89.5 Å²	89.5	76%	0.762	49%	0.493	S	S	*	.	H	α-helix	trans	-59.2	-42.6	169.7	-82.2	-172	174.7	179.6	-0.7	112.6	S260 S261 Q266 L267 S268	S260-R264 PolarHBondContact O-N 2.84Å; S260-R264 VanDerWaalsContact O-N 3.13Å; S261-R264 PolarHBondContact O-N 3.26Å; R264-Q266 VanDerWaalsContact C-N 3.32Å; R264-Q266 PolarHBondContact O-N 3.49Å; R264-L267 PolarHBondContact O-N 3.47Å; R264-S268 PolarHBondContact O-N 3.46Å; R264-S268 PolarHBondContact O-OG 3.28Å
265	G	62.1	Low	70.9	Confident	30 Å²	30	93.3 Å²	93.3	31%	0.309	52%	0.52	S	S	.	.	H	α-helix	trans	-63.3	-33.5	177.3	0	0	0	0	0	114.2	S261 R262 N263 S268 N269	S261-G265 PolarHBondContact O-N 3.41Å; R262-G265 PolarHBondContact O-N 3.35Å; N263-G265 VanDerWaalsContact C-N 3.35Å; N263-G265 PolarHBondContact O-N 2.86Å; G265-S268 WeakPolarHBondContact CA-OG 3.34Å; G265-S268 PolarHBondContact O-OG 2.93Å; G265-N269 WeakPolarHBondContact O-CB 3.48Å; G265-N269 VanDerWaalsContact O-CG 3.25Å; G265-N269 PolarHBondContact O-N 2.95Å; G265-N269 PolarHBondContact O-OD1 2.96Å
266	Q	62.4	Low	68.7	Low	134 Å²	134	95.8 Å²	95.8	63%	0.626	54%	0.539	S	S	*	.	H	α-helix	trans	-72.9	-38.7	172.2	-72	-175	-10.9	0	0	111.8	R262 N263 R264 N269 L270	R262-Q266 PolarHBondContact O-N 2.95Å; R262-Q266 VanDerWaalsContact O-N 3.12Å; N263-Q266 PolarHBondContact O-N 2.9Å; R264-Q266 VanDerWaalsContact C-N 3.32Å; R264-Q266 PolarHBondContact O-N 3.49Å; Q266-N269 PolarHBondContact O-N 3.17Å; Q266-L270 PolarHBondContact O-N 3.49Å
267	L	62.1	Low	66.4	Low	125 Å²	125	96.7 Å²	96.7	65%	0.654	56%	0.555	S	S	*	*	H	α-helix	trans	-66.4	-38.9	176.8	-150.2	77	0	0	0	112.4	N263 R264 L270 C271	N263-L267 PolarHBondContact O-N 3.42Å; R264-L267 PolarHBondContact O-N 3.47Å; L267-L270 PolarHBondContact O-N 3.32Å; L267-C271 PolarHBondContact O-N 3.18Å; L267-C271 VanDerWaalsContact O-N 3.16Å
268	S	63.4	Low	64.3	Low	53 Å²	53	101 Å²	101	37%	0.371	57%	0.566	S	S	.	*	H	α-helix	trans	-65.7	-43.2	173.8	58.2	0	0	0	0	111.6	R264 G265 L270 C271 L272	R264-S268 PolarHBondContact O-N 3.46Å; R264-S268 PolarHBondContact O-OG 3.28Å; G265-S268 WeakPolarHBondContact CA-OG 3.34Å; G265-S268 PolarHBondContact O-OG 2.93Å; S268-L270 VanDerWaalsContact C-N 3.31Å; S268-L270 PolarHBondContact O-N 2.68Å; S268-C271 WeakPolarHBondContact O-CB 3.31Å; S268-C271 PolarHBondContact O-N 3.03Å; S268-C271 VanDerWaalsContact O-N 3.15Å; S268-L272 WeakPolarHBondContact O-CD1 3.39Å; S268-L272 PolarHBondContact O-N 3.39Å
269	N	59.7	Low	62.2	Low	106 Å²	106	103.7 Å²	103.7	57%	0.567	59%	0.589	S	S	*	*	H	α-helix	trans	-63.1	-37.8	177.8	-74.7	4.6	0	0	0	112	G265 Q266 L272 T273	G265-N269 WeakPolarHBondContact O-CB 3.48Å; G265-N269 VanDerWaalsContact O-CG 3.25Å; G265-N269 PolarHBondContact O-N 2.95Å; G265-N269 PolarHBondContact O-OD1 2.96Å; Q266-N269 PolarHBondContact O-N 3.17Å; N269-L272 PolarHBondContact O-N 2.98Å; N269-T273 WeakPolarHBondContact O-CG2 3.05Å; N269-T273 PolarHBondContact O-N 2.49Å; N269-T273 PolarHBondContact O-OG1 3.17Å; N269-T273 VanDerWaalsContact O-OG1 3.13Å
270	L	61.6	Low	60.1	Low	113 Å²	113	109.7 Å²	109.7	59%	0.592	62%	0.619	S	S	*	*	H	α-helix	trans	-59.5	-45.1	172.3	-107.3	68.8	0	0	0	112	Q266 L267 S268 L272 T273 T274	Q266-L270 PolarHBondContact O-N 3.49Å; L267-L270 PolarHBondContact O-N 3.32Å; S268-L270 VanDerWaalsContact C-N 3.31Å; S268-L270 PolarHBondContact O-N 2.68Å; L270-L272 PolarHBondContact O-N 3.08Å; L270-T273 WeakPolarHBondContact CA-OG1 3.35Å; L270-T273 PolarHBondContact O-N 3.39Å; L270-T273 PolarHBondContact O-OG1 2.95Å; L270-T274 PolarHBondContact O-N 3.44Å; L270-T274 PolarHBondContact O-OG1 3.45Å
271	C	60.4	Low	58.5	Low	81 Å²	81	111.1 Å²	111.1	55%	0.547	63%	0.628	S	S	.	*	H	α-helix	trans	-61.4	-43.6	178.6	-172.1	0	0	0	0	112.3	L267 S268 T273 T274 S275	L267-C271 PolarHBondContact O-N 3.18Å; L267-C271 VanDerWaalsContact O-N 3.16Å; S268-C271 WeakPolarHBondContact O-CB 3.31Å; S268-C271 PolarHBondContact O-N 3.03Å; S268-C271 VanDerWaalsContact O-N 3.15Å; C271-T273 VanDerWaalsContact C-N 3.35Å; C271-T273 PolarHBondContact O-N 3.18Å; C271-T274 PolarHBondContact O-N 3.16Å; C271-T274 PolarHBondContact O-OG1 3.24Å; C271-S275 PolarHBondContact O-N 2.91Å; C271-S275 PolarHBondContact O-OG 3.48Å
272	L	54.2	Low	56.3	Low	125 Å²	125	117.1 Å²	117.1	65%	0.654	64%	0.64	S	S	*	*	H	α-helix	trans	-67	-31.9	176.4	-85	82.7	0	0	0	112.9	S268 N269 L270 T274 S275	S268-L272 WeakPolarHBondContact O-CD1 3.39Å; S268-L272 PolarHBondContact O-N 3.39Å; N269-L272 PolarHBondContact O-N 2.98Å; L270-L272 PolarHBondContact O-N 3.08Å; L272-T274 VanDerWaalsContact C-N 3.31Å; L272-T274 PolarHBondContact O-N 3.03Å; L272-S275 PolarHBondContact O-OG 3.47Å
273	T	59.5	Low	54.4	Low	110 Å²	110	117.4 Å²	117.4	68%	0.675	66%	0.655	S	S	*	*	H	α-helix	trans	-74.9	-17.2	176.4	49.2	0	0	0	0	114.2	N269 L270 C271	N269-T273 WeakPolarHBondContact O-CG2 3.05Å; N269-T273 PolarHBondContact O-N 2.49Å; N269-T273 PolarHBondContact O-OG1 3.17Å; N269-T273 VanDerWaalsContact O-OG1 3.13Å; L270-T273 WeakPolarHBondContact CA-OG1 3.35Å; L270-T273 PolarHBondContact O-N 3.39Å; L270-T273 PolarHBondContact O-OG1 2.95Å; C271-T273 VanDerWaalsContact C-N 3.35Å; C271-T273 PolarHBondContact O-N 3.18Å
274	T	58.6	Low	52.6	Low	114 Å²	114	116.7 Å²	116.7	70%	0.699	66%	0.664	S	S	*	*	H	α-helix	trans	-98	-8.2	177.5	48.3	0	0	0	0	114.1	L270 C271 L272 S276	L270-T274 PolarHBondContact O-N 3.44Å; L270-T274 PolarHBondContact O-OG1 3.45Å; C271-T274 PolarHBondContact O-N 3.16Å; C271-T274 PolarHBondContact O-OG1 3.24Å; L272-T274 VanDerWaalsContact C-N 3.31Å; L272-T274 PolarHBondContact O-N 3.03Å; T274-S276 PolarHBondContact O-N 3.33Å
275	S	51.1	Low	51.2	Low	80 Å²	80	115.6 Å²	115.6	56%	0.559	67%	0.668	S	S	*	*			trans	-93.1	60.2	-178.2	55.2	0	0	0	0	113.3	C271 L272 P277	C271-S275 PolarHBondContact O-N 2.91Å; C271-S275 PolarHBondContact O-OG 3.48Å; L272-S275 PolarHBondContact O-OG 3.47Å; S275-P277 WeakPolarHBondContact O-CD 3.31Å
276	S	48	Very low	50.1	Low	104 Å²	104	121.9 Å²	121.9	73%	0.727	69%	0.692	S	S	*	*			trans	-76.6	117.7	155.2	-80.3	0	0	0	0	108.4	T274 L278	T274-S276 PolarHBondContact O-N 3.33Å; S276-L278 PolarHBondContact O-N 2.89Å
277	P	43.2	Very low	48.6	Very low	126 Å²	126	121.5 Å²	121.5	82%	0.818	70%	0.703	S	S	*	*			trans	-81.7	93.5	-169.8	31.7	-34.6	0	0	0	111.8	S275	S275-P277 WeakPolarHBondContact O-CD 3.31Å
278	L	45.5	Very low	47.3	Very low	163 Å²	163	124.4 Å²	124.4	85%	0.853	71%	0.713	S	S	*	*			trans	-122	107.2	165.8	-72.5	177.5	0	0	0	111.2	S276	S276-L278 PolarHBondContact O-N 2.89Å
279	S	44.8	Very low	45.8	Very low	101 Å²	101	133.1 Å²	133.1	71%	0.706	74%	0.74	S	S	*	*			trans	43.8	115.2	151.4	-165.4	0	0	0	0	120.5
280	H	41.3	Very low	44.7	Very low	182 Å²	182	133.7 Å²	133.7	84%	0.843	75%	0.749	S	S	*	*			trans	6.6	120.7	136.7	-53.7	88.4	0	0	0	115.9
281	S	47.1	Very low	43.3	Very low	106 Å²	106	133.1 Å²	133.1	74%	0.741	76%	0.761	S	S	*	*				179.6	142.1	62.3	48.8	0	0	0	0	112.9
282	Y	35.4	Very low	42.4	Very low	211 Å²	211	135.1 Å²	135.1	83%	0.827	78%	0.775	S	S	*	*			trans	47.7	128.3	147.2	130.2	-73	0	0	0	123.1
283	S	38.1	Very low	41.6	Very low	91 Å²	91	134.6 Å²	134.6	64%	0.636	78%	0.782	S	S	*	*			trans	60	101.7	149.4	-64.6	0	0	0	0	123
284	A	35	Very low	40.8	Very low	94 Å²	94	134.6 Å²	134.6	78%	0.777	78%	0.784	S	S	*	*				42.6	91.8	119.5	0	0	0	0	0	120.2
285	Q	41.3	Very low	39.6	Very low	179 Å²	179	134.5 Å²	134.5	84%	0.836	79%	0.788	S	S	*	*			trans	-150.5	118.5	143	-101.1	142.9	40.2	0	0	107.1
286	I	39	Very low	39.1	Very low	161 Å²	161	136.6 Å²	136.6	83%	0.826	80%	0.803	S	S	*	*				69.8	130	96.7	-65.3	176.4	0	0	0	112.4	E288	I286-E288 PolarHBondContact O-N 3.02Å
287	C	31	Very low	38.5	Very low	126 Å²	126	136.5 Å²	136.5	85%	0.851	80%	0.802	S	S	*	*			trans	-63.6	126.2	-172.9	-60.4	0	0	0	0	113.3
288	E	35.7	Very low	38.6	Very low	186 Å²	186	137.1 Å²	137.1	87%	0.869	80%	0.804	S	S	*	*			trans	-145.6	120.1	157.9	-108.5	163.5	-167.2	0	0	110	I286	I286-E288 PolarHBondContact O-N 3.02Å
289	Y	31.5	Very low	38	Very low	236 Å²	236	136.9 Å²	136.9	93%	0.925	80%	0.804	S	S	*	*			trans	-92.3	133.3	162.4	-94.1	-93	0	0	0	107.8
290	P	37	Very low	38.1	Very low	119 Å²	119	140.2 Å²	140.2	77%	0.773	81%	0.808	S	S	*	*			trans	-130.7	157.6	138.9	14.9	5.9	0	0	0	112.8
291	A	31.5	Very low	38.3	Very low	100 Å²	100	136.9 Å²	136.9	83%	0.826	80%	0.803	S	S	*	*			trans	-94.8	139.4	-174.6	0	0	0	0	0	113.1
292	S	42.1	Very low	37.9	Very low	123 Å²	123	138.5 Å²	138.5	86%	0.86	81%	0.808	S	S	*	*			trans	-162.1	133.9	150.7	23.6	0	0	0	0	113.1
293	S	37.7	Very low	38.3	Very low	114 Å²	114	135.9 Å²	135.9	80%	0.797	81%	0.808	S	S	*	*			trans	-69.7	176.2	167.7	-47.2	0	0	0	0	110.8
294	P	41.7	Very low	38.7	Very low	111 Å²	111	140.7 Å²	140.7	72%	0.721	82%	0.817	S	S	*	*			cis	-151.1	-179.8	24.7	41.4	-18.1	0	0	0	120.1
295	S	33.5	Very low	39.1	Very low	111 Å²	111	141 Å²	141	78%	0.776	82%	0.82	S	S	*	*			trans	58.3	108.2	145.7	62.2	0	0	0	0	121.8
296	S	40.2	Very low	39.2	Very low	125 Å²	125	138.5 Å²	138.5	87%	0.874	82%	0.816	S	S	*	*				-162.9	150.9	128.4	-170.7	0	0	0	0	110.4
297	S	35.7	Very low	39.2	Very low	102 Å²	102	136.5 Å²	136.5	71%	0.713	82%	0.815	S	S	*	*			trans	-86.6	131.6	-169.2	52.3	0	0	0	0	115.1
298	T	45.6	Very low	39.9	Very low	138 Å²	138	139.5 Å²	139.5	85%	0.847	81%	0.814	S	S	*	*			trans	-158.8	127	142.2	40.9	0	0	0	0	109.3	E300	T298-E300 PolarHBondContact O-N 3.01Å
299	D	33.3	Very low	40.4	Very low	159 Å²	159	139.8 Å²	139.8	85%	0.85	81%	0.812	S	S	*	*			trans	-70.3	116.6	176.8	-64.3	-89.5	0	0	0	112.4
300	E	46.8	Very low	40.9	Very low	170 Å²	170	136.4 Å²	136.4	79%	0.794	80%	0.803	S	S	*	*			trans	-148	143.8	160	-85.5	-63.5	116.7	0	0	108.8	T298 V302	T298-E300 PolarHBondContact O-N 3.01Å; E300-V302 PolarHBondContact O-N 3.08Å
301	P	45.6	Very low	41.4	Very low	113 Å²	113	137.4 Å²	137.4	73%	0.734	80%	0.797	S	S	*	*			trans	-73.1	120.4	-174.1	28.6	-33.6	0	0	0	112.1	D303	P301-D303 PolarHBondContact O-N 3.19Å
302	V	37.4	Very low	42.3	Very low	140 Å²	140	137.9 Å²	137.9	85%	0.848	79%	0.785	S	S	*	*			trans	-61.9	109	179.3	174.4	0	0	0	0	111.4	E300 K304	E300-V302 PolarHBondContact O-N 3.08Å; V302-K304 PolarHBondContact O-N 3Å
303	D	44.7	Very low	42.6	Very low	155 Å²	155	135.4 Å²	135.4	83%	0.829	77%	0.766	S	S	*	*			trans	-60	127.1	168.9	-108.7	-32.7	0	0	0	110.3	P301 A305	P301-D303 PolarHBondContact O-N 3.19Å; D303-A305 PolarHBondContact O-N 3.04Å
304	K	45.7	Very low	43.3	Very low	192 Å²	192	134 Å²	134	84%	0.835	76%	0.762	S	S	*	*			trans	-61.8	111.7	-178.2	-69.7	178.2	178.6	179.9	0	109.7	V302 V306	V302-K304 PolarHBondContact O-N 3Å; K304-V306 PolarHBondContact O-N 2.69Å
305	A	43.1	Very low	43.8	Very low	100 Å²	100	135.1 Å²	135.1	83%	0.826	75%	0.752	S	S	*	*			trans	-51.5	106.8	176.4	0	0	0	0	0	110.3	D303 C307	D303-A305 PolarHBondContact O-N 3.04Å; A305-C307 PolarHBondContact O-N 2.98Å; A305-C307 VanDerWaalsContact O-N 3.12Å
306	V	45.3	Very low	44.7	Very low	127 Å²	127	135.4 Å²	135.4	77%	0.77	74%	0.737	S	S	*	*			trans	-57.4	119.8	178.1	170.1	0	0	0	0	108	K304 K308	K304-V306 PolarHBondContact O-N 2.69Å; V306-K308 PolarHBondContact O-N 2.89Å
307	C	38	Very low	45.5	Very low	119 Å²	119	138.7 Å²	138.7	80%	0.804	73%	0.73	S	S	*	*			trans	-56.5	102.3	169.9	-175.8	0	0	0	0	107.8	A305 K309	A305-C307 PolarHBondContact O-N 2.98Å; A305-C307 VanDerWaalsContact O-N 3.12Å; C307-K309 PolarHBondContact O-N 2.84Å
308	K	45.6	Very low	46.7	Very low	189 Å²	189	138.2 Å²	138.2	82%	0.822	72%	0.723	S	S	*	*			trans	-62.2	107	177.3	-76	178.7	179.9	172.1	0	106.2	V306 F310	V306-K308 PolarHBondContact O-N 2.89Å; K308-F310 VanDerWaalsContact C-N 3.29Å; K308-F310 PolarHBondContact O-N 3.45Å
309	K	45.8	Very low	47.8	Very low	192 Å²	192	134.6 Å²	134.6	84%	0.835	70%	0.696	S	S	*	*			trans	-58.4	99.3	168.3	-168.5	179.1	-172.9	-176.7	0	106.6	C307 E311	C307-K309 PolarHBondContact O-N 2.84Å; K309-E311 VanDerWaalsContact C-N 3.3Å; K309-E311 PolarHBondContact O-N 3.45Å
310	F	41.9	Very low	49.9	Very low	166 Å²	166	131 Å²	131	73%	0.728	68%	0.676	S	S	*	*			trans	-68.9	93.2	-179.1	-166.3	-91.7	0	0	0	106.6	K308 L312	K308-F310 VanDerWaalsContact C-N 3.29Å; K308-F310 PolarHBondContact O-N 3.45Å; F310-L312 VanDerWaalsContact C-N 3.34Å; F310-L312 HydrophobicContact CD1-CG 4.43Å; F310-L312 PolarHBondContact O-N 3.43Å
311	E	48.6	Very low	51.6	Low	140 Å²	140	126 Å²	126	65%	0.654	66%	0.655	S	S	*	*			trans	-63.4	103.2	168.1	-76.6	-167.6	138.9	0	0	106.2	R216 K309	R216-E311 IonicContact NH1-OE1 2.86Å; R216-E311 PolarHBondContact NH1-OE1 2.93Å; K309-E311 VanDerWaalsContact C-N 3.3Å; K309-E311 PolarHBondContact O-N 3.45Å
312	L	49.3	Very low	53.4	Low	109 Å²	109	127.7 Å²	127.7	57%	0.571	66%	0.657	S	S	*	*			trans	-50.2	128.5	174.5	-91.6	150.8	0	0	0	108.6	F310 Y316	F310-L312 VanDerWaalsContact C-N 3.34Å; F310-L312 HydrophobicContact CD1-CG 4.43Å; F310-L312 PolarHBondContact O-N 3.43Å; L312-Y316 HydrophobicContact CD2-CD1 4.04Å; L312-Y316 HydrophobicContact CD2-CD2 3.58Å; L312-Y316 HydrophobicContact CD2-CE1 4.44Å; L312-Y316 HydrophobicContact CD2-CE2 4.01Å; L312-Y316 HydrophobicContact CD2-CG 3.59Å
313	P	49.6	Very low	55.6	Low	72 Å²	72	128.4 Å²	128.4	47%	0.468	65%	0.652	S	S	.	*			trans	-51.3	146.5	179.4	-28.8	35.2	0	0	0	111.6	Y315 Y316	P313-Y315 PolarHBondContact O-N 2.88Å; P313-Y316 PolarHBondContact O-N 3.3Å
314	A	52.2	Low	57.6	Low	84 Å²	84	122.9 Å²	122.9	69%	0.694	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-52	-28.4	-176.1	0	0	0	0	0	113.6	Y316 R317	A314-Y316 VanDerWaalsContact C-N 3.33Å; A314-Y316 PolarHBondContact O-N 2.84Å; A314-R317 WeakPolarHBondContact O-CA 3.4Å; A314-R317 WeakPolarHBondContact O-CB 3.3Å; A314-R317 PolarHBondContact O-N 2.65Å
315	Y	52.1	Low	59.6	Low	134 Å²	134	115.6 Å²	115.6	53%	0.525	60%	0.595	S	S	.	*	G	3₁₀ helix	trans	-53.3	-38.1	171.1	179.1	-98.7	0	0	0	114.7	P313 R317 T318 F319	P313-Y315 PolarHBondContact O-N 2.88Å; Y315-R317 PolarHBondContact O-N 2.86Å; Y315-T318 PolarHBondContact O-N 3.22Å; Y315-T318 PolarHBondContact O-OG1 3.33Å; Y315-F319 HydrophobicContact CD1-CE2 4.49Å; Y315-F319 HydrophobicContact CD2-CE2 4.36Å; Y315-F319 HydrophobicContact CE1-CD2 4.26Å; Y315-F319 AromaticContact CE1-CE2 3.86Å; Y315-F319 HydrophobicContact CE1-CE2 3.86Å; Y315-F319 AromaticContact CE2-CE2 3.73Å; Y315-F319 HydrophobicContact CE2-CE2 3.73Å; Y315-F319 AromaticContact CZ-CE2 3.44Å; Y315-F319 VanDerWaalsContact CZ-CE2 3.44Å; Y315-F319 WeakPolarHBondContact O-CD2 3.33Å
316	Y	52.1	Low	61.8	Low	118 Å²	118	115.1 Å²	115.1	46%	0.463	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-68.6	-26.1	175	-93.9	-86.8	0	0	0	112.6	L312 P313 A314 T318 F319 I320	L312-Y316 HydrophobicContact CD2-CD1 4.04Å; L312-Y316 HydrophobicContact CD2-CD2 3.58Å; L312-Y316 HydrophobicContact CD2-CE1 4.44Å; L312-Y316 HydrophobicContact CD2-CE2 4.01Å; L312-Y316 HydrophobicContact CD2-CG 3.59Å; P313-Y316 PolarHBondContact O-N 3.3Å; A314-Y316 VanDerWaalsContact C-N 3.33Å; A314-Y316 PolarHBondContact O-N 2.84Å; Y316-T318 VanDerWaalsContact C-N 3.25Å; Y316-T318 PolarHBondContact O-N 3.46Å; Y316-F319 PolarHBondContact O-N 3.23Å; Y316-I320 PolarHBondContact O-N 2.75Å; Y316-I320 VanDerWaalsContact O-N 3.16Å
317	R	57.1	Low	63.8	Low	193 Å²	193	111.6 Å²	111.6	73%	0.728	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-78.2	-8	-179.7	-141.2	177.9	-169	176.8	-1.3	113.3	A314 Y315 N321	A314-R317 WeakPolarHBondContact O-CA 3.4Å; A314-R317 WeakPolarHBondContact O-CB 3.3Å; A314-R317 PolarHBondContact O-N 2.65Å; Y315-R317 PolarHBondContact O-N 2.86Å; R317-N321 PolarHBondContact O-OD1 2.75Å
318	T	61.8	Low	66.4	Low	92 Å²	92	107.4 Å²	107.4	56%	0.564	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-94.4	-8.9	169.4	43.6	0	0	0	0	113.6	Y315 Y316 N321	Y315-T318 PolarHBondContact O-N 3.22Å; Y315-T318 PolarHBondContact O-OG1 3.33Å; Y316-T318 VanDerWaalsContact C-N 3.25Å; Y316-T318 PolarHBondContact O-N 3.46Å; T318-N321 WeakPolarHBondContact CA-OD1 3.44Å; T318-N321 PolarHBondContact O-ND2 2.91Å; T318-N321 PolarHBondContact O-OD1 3.36Å; T318-N321 VanDerWaalsContact O-OD1 3.09Å
319	F	67.9	Low	68.5	Low	62 Å²	62	98.6 Å²	98.6	27%	0.272	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-30	174.3	-78.2	-84	0	0	0	113.5	Y315 Y316 V369	Y315-F319 HydrophobicContact CD1-CE2 4.49Å; Y315-F319 HydrophobicContact CD2-CE2 4.36Å; Y315-F319 HydrophobicContact CE1-CD2 4.26Å; Y315-F319 AromaticContact CE1-CE2 3.86Å; Y315-F319 HydrophobicContact CE1-CE2 3.86Å; Y315-F319 AromaticContact CE2-CE2 3.73Å; Y315-F319 HydrophobicContact CE2-CE2 3.73Å; Y315-F319 AromaticContact CZ-CE2 3.44Å; Y315-F319 VanDerWaalsContact CZ-CE2 3.44Å; Y315-F319 WeakPolarHBondContact O-CD2 3.33Å; Y316-F319 PolarHBondContact O-N 3.23Å; F319-V369 HydrophobicContact CB-CG2 4.13Å; F319-V369 HydrophobicContact CD1-CB 4.2Å; F319-V369 HydrophobicContact CD1-CG1 4.26Å; F319-V369 HydrophobicContact CD1-CG2 3.39Å; F319-V369 HydrophobicContact CD2-CG1 4.36Å; F319-V369 HydrophobicContact CE1-CB 4.16Å; F319-V369 HydrophobicContact CE1-CG1 4.13Å; F319-V369 HydrophobicContact CE1-CG2 3.85Å; F319-V369 HydrophobicContact CE2-CG1 4.28Å; F319-V369 HydrophobicContact CG-CG1 4.36Å; F319-V369 HydrophobicContact CG-CG2 3.79Å; F319-V369 HydrophobicContact CZ-CG1 4.13Å
320	I	78.5	Confident	70.6	Confident	84 Å²	84	96.1 Å²	96.1	43%	0.431	48%	0.476	S	S	.	.	S	Bend	trans	-102.6	85.2	173.2	-56.5	178.2	0	0	0	108.4	Y316 V325 L365	Y316-I320 PolarHBondContact O-N 2.75Å; Y316-I320 VanDerWaalsContact O-N 3.16Å; I320-V325 HydrophobicContact CG2-CG2 4.02Å; I320-L365 HydrophobicContact CD1-CD2 4.16Å; I320-L365 HydrophobicContact CG1-CD2 3.85Å
321	N	81	Confident	72.9	Confident	66 Å²	66	90.7 Å²	90.7	35%	0.353	46%	0.458	S	S	.	.			trans	-102.5	164.7	-177.7	-52.2	-19.8	0	0	0	109.9	R317 T318 E323 V324 V325	R317-N321 PolarHBondContact O-OD1 2.75Å; T318-N321 WeakPolarHBondContact CA-OD1 3.44Å; T318-N321 PolarHBondContact O-ND2 2.91Å; T318-N321 PolarHBondContact O-OD1 3.36Å; T318-N321 VanDerWaalsContact O-OD1 3.09Å; N321-E323 PolarHBondContact O-N 3.1Å; N321-E323 VanDerWaalsContact O-N 3.17Å; N321-V324 WeakPolarHBondContact O-CB 3.3Å; N321-V324 PolarHBondContact O-N 3.25Å; N321-V325 PolarHBondContact O-N 3.45Å
322	D	83.5	Confident	75	Confident	147 Å²	147	84.4 Å²	84.4	79%	0.786	43%	0.429	S	S	*	.	H	α-helix	trans	-54.5	-36.9	178.1	-78.5	0.4	0	0	0	112.3	V324 V325 E326	D322-V324 PolarHBondContact O-N 2.91Å; D322-V325 PolarHBondContact O-N 3.28Å; D322-E326 VanDerWaalsContact O-CB 3.31Å; D322-E326 WeakPolarHBondContact O-CB 3.3Å; D322-E326 PolarHBondContact O-N 2.94Å
323	E	84.5	Confident	77	Confident	156 Å²	156	80 Å²	80	73%	0.729	41%	0.407	S	S	*	.	H	α-helix	trans	-64.1	-38.3	175.4	-61.7	-174.9	162.5	0	0	113.2	N321 E326 A327	N321-E323 PolarHBondContact O-N 3.1Å; N321-E323 VanDerWaalsContact O-N 3.17Å; E323-E326 PolarHBondContact O-N 3.17Å; E323-A327 WeakPolarHBondContact O-CB 3.42Å; E323-A327 PolarHBondContact O-N 2.99Å
324	V	86.6	Confident	78.9	Confident	38 Å²	38	79.1 Å²	79.1	23%	0.23	41%	0.406	C	S	.	.	H	α-helix	trans	-71.1	-43.6	177.8	173.9	0	0	0	0	110	N321 D322 E326 A327 M328 L365	N321-V324 WeakPolarHBondContact O-CB 3.3Å; N321-V324 PolarHBondContact O-N 3.25Å; D322-V324 PolarHBondContact O-N 2.91Å; V324-E326 VanDerWaalsContact C-N 3.31Å; V324-E326 PolarHBondContact O-N 3.44Å; V324-A327 PolarHBondContact O-N 3.37Å; V324-M328 HydrophobicContact CG1-SD 4.29Å; V324-M328 VanDerWaalsContact O-CG 3.3Å; V324-M328 WeakPolarHBondContact O-CG 3.29Å; V324-M328 PolarHBondContact O-N 3.21Å; V324-L365 HydrophobicContact CG1-CD1 3.66Å
325	V	87.8	Confident	80.5	Confident	40 Å²	40	77.2 Å²	77.2	24%	0.242	38%	0.383	C	S	.	.	H	α-helix	trans	-57.7	-44.8	172.3	164.2	0	0	0	0	110.9	V116 I320 N321 D322 T329	V116-V325 HydrophobicContact CB-CG1 4.36Å; V116-V325 HydrophobicContact CG1-CB 4.3Å; V116-V325 HydrophobicContact CG1-CG1 3.61Å; V116-V325 HydrophobicContact CG1-CG2 3.86Å; I320-V325 HydrophobicContact CG2-CG2 4.02Å; N321-V325 PolarHBondContact O-N 3.45Å; D322-V325 PolarHBondContact O-N 3.28Å; V325-T329 VanDerWaalsContact O-CB 3.3Å; V325-T329 WeakPolarHBondContact O-CB 3.33Å; V325-T329 PolarHBondContact O-N 3.26Å; V325-T329 PolarHBondContact O-OG1 2.99Å
326	E	87.9	Confident	82.2	Confident	90 Å²	90	70.9 Å²	70.9	42%	0.421	36%	0.359	S	S	.	.	H	α-helix	trans	-67.4	-40.6	178.6	-157.9	-169.2	-162.1	0	0	111.7	D322 E323 V324 T329 R330	D322-E326 VanDerWaalsContact O-CB 3.31Å; D322-E326 WeakPolarHBondContact O-CB 3.3Å; D322-E326 PolarHBondContact O-N 2.94Å; E323-E326 PolarHBondContact O-N 3.17Å; V324-E326 VanDerWaalsContact C-N 3.31Å; V324-E326 PolarHBondContact O-N 3.44Å; E326-T329 PolarHBondContact O-N 2.8Å; E326-R330 WeakPolarHBondContact O-CB 3.48Å; E326-R330 WeakPolarHBondContact O-CG 3.33Å; E326-R330 PolarHBondContact O-N 3.22Å; E326-R330 IonicContact OE1-CZ 3.18Å; E326-R330 IonicContact OE1-NH1 3.62Å; E326-R330 IonicContact OE1-NH2 3.86Å; E326-R330 PolarHBondContact OE1-NH2 3.41Å; E326-R330 IonicContact OE2-CZ 3.04Å; E326-R330 IonicContact OE2-NH1 2.91Å; E326-R330 PolarHBondContact OE2-NH1 3.32Å; E326-R330 IonicContact OE2-NH2 2.67Å; E326-R330 PolarHBondContact OE2-NH2 3.34Å
327	A	88.2	Confident	83.9	Confident	53 Å²	53	67.9 Å²	67.9	44%	0.438	35%	0.349	S	S	.	.	H	α-helix	trans	-63.5	-45.6	175.3	0	0	0	0	0	112.7	E323 V324 T329 R330 C331	E323-A327 WeakPolarHBondContact O-CB 3.42Å; E323-A327 PolarHBondContact O-N 2.99Å; V324-A327 PolarHBondContact O-N 3.37Å; A327-T329 VanDerWaalsContact C-N 3.33Å; A327-T329 PolarHBondContact O-N 3.19Å; A327-R330 PolarHBondContact O-N 2.95Å; A327-C331 PolarHBondContact O-N 3.48Å
328	M	91.6	Very high	85.4	Confident	30 Å²	30	63.4 Å²	63.4	15%	0.148	34%	0.337	C	S	.	.	H	α-helix	trans	-60.8	-43.2	173.7	-68.5	-179.1	78.8	0	0	111	V324 C331 L332 L358 C361 L362	V324-M328 HydrophobicContact CG1-SD 4.29Å; V324-M328 VanDerWaalsContact O-CG 3.3Å; V324-M328 WeakPolarHBondContact O-CG 3.29Å; V324-M328 PolarHBondContact O-N 3.21Å; M328-C331 PolarHBondContact O-N 3.47Å; M328-L332 WeakPolarHBondContact O-CG 3.3Å; M328-L332 PolarHBondContact O-N 3.1Å; M328-L358 HydrophobicContact CE-CD1 3.76Å; M328-C361 HydrophobicContact CE-CB 3.58Å; M328-C361 HydrophobicContact CG-CB 4.08Å; M328-L362 HydrophobicContact CE-CD2 3.68Å; M328-L362 HydrophobicContact CE-CG 3.82Å
329	T	90.6	Very high	86.6	Confident	5 Å²	5	60 Å²	60	3%	0.031	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-43.9	178.2	-56.8	0	0	0	0	111.5	C112 V325 E326 A327 C331 L332 V333	C112-T329 HydrophobicContact CB-CG2 4.33Å; V325-T329 VanDerWaalsContact O-CB 3.3Å; V325-T329 WeakPolarHBondContact O-CB 3.33Å; V325-T329 PolarHBondContact O-N 3.26Å; V325-T329 PolarHBondContact O-OG1 2.99Å; E326-T329 PolarHBondContact O-N 2.8Å; A327-T329 VanDerWaalsContact C-N 3.33Å; A327-T329 PolarHBondContact O-N 3.19Å; T329-C331 VanDerWaalsContact C-N 3.32Å; T329-C331 PolarHBondContact O-N 2.82Å; T329-L332 PolarHBondContact O-N 3.38Å; T329-V333 HydrophobicContact CG2-CG2 4.37Å; T329-V333 WeakPolarHBondContact O-CB 3.37Å; T329-V333 WeakPolarHBondContact O-CG2 3.42Å; T329-V333 PolarHBondContact O-N 3.25Å
330	R	90.6	Very high	87.4	Confident	140 Å²	140	59.4 Å²	59.4	53%	0.528	32%	0.316	S	S	.	.	H	α-helix	trans	-58.5	-41.7	173.8	-75.3	178.4	-176.5	112.1	-1.6	111.9	E326 A327 V333 A334	E326-R330 WeakPolarHBondContact O-CB 3.48Å; E326-R330 WeakPolarHBondContact O-CG 3.33Å; E326-R330 PolarHBondContact O-N 3.22Å; E326-R330 IonicContact OE1-CZ 3.18Å; E326-R330 IonicContact OE1-NH1 3.62Å; E326-R330 IonicContact OE1-NH2 3.86Å; E326-R330 PolarHBondContact OE1-NH2 3.41Å; E326-R330 IonicContact OE2-CZ 3.04Å; E326-R330 IonicContact OE2-NH1 2.91Å; E326-R330 PolarHBondContact OE2-NH1 3.32Å; E326-R330 IonicContact OE2-NH2 2.67Å; E326-R330 PolarHBondContact OE2-NH2 3.34Å; A327-R330 PolarHBondContact O-N 2.95Å; R330-V333 PolarHBondContact O-N 3.25Å; R330-A334 WeakPolarHBondContact O-CB 3.42Å; R330-A334 PolarHBondContact O-N 3.39Å
331	C	90.3	Very high	87.9	Confident	51 Å²	51	60.3 Å²	60.3	35%	0.345	33%	0.33	S	S	.	.	H	α-helix	trans	-64.6	-44.6	177.9	-166.3	0	0	0	0	112.2	A327 M328 T329 V333 A334 N335	A327-C331 PolarHBondContact O-N 3.48Å; M328-C331 PolarHBondContact O-N 3.47Å; T329-C331 VanDerWaalsContact C-N 3.32Å; T329-C331 PolarHBondContact O-N 2.82Å; C331-V333 VanDerWaalsContact C-N 3.34Å; C331-V333 PolarHBondContact O-N 2.96Å; C331-A334 PolarHBondContact O-N 3.03Å; C331-N335 PolarHBondContact O-N 3.25Å; C331-N335 VanDerWaalsContact O-N 3.1Å; C331-N335 PolarHBondContact O-OD1 3.05Å
332	L	92	Very high	88.2	Confident	8 Å²	8	63.8 Å²	63.8	4%	0.042	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-39.2	176.9	-68.3	173.9	0	0	0	112.4	M328 T329 N335 A336 L354 L358	M328-L332 WeakPolarHBondContact O-CG 3.3Å; M328-L332 PolarHBondContact O-N 3.1Å; T329-L332 PolarHBondContact O-N 3.38Å; L332-N335 PolarHBondContact O-N 3.37Å; L332-A336 PolarHBondContact O-N 3.46Å; L332-L354 HydrophobicContact CB-CD2 4.12Å; L332-L354 HydrophobicContact CD2-CD2 4.19Å; L332-L354 WeakPolarHBondContact CD2-O 3.29Å; L332-L354 WeakPolarHBondContact O-CD2 3.31Å; L332-L358 HydrophobicContact CD1-CD1 4.33Å; L332-L358 HydrophobicContact CD2-CB 4.13Å
333	V	90.5	Very high	88.3	Confident	18 Å²	18	59.3 Å²	59.3	11%	0.109	33%	0.331	C	S	.	.	H	α-helix	trans	-66	-39.3	175.9	170.6	0	0	0	0	111.1	Y109 T329 R330 C331 A336 E337	Y109-V333 HydrophobicContact CD2-CB 4.37Å; Y109-V333 HydrophobicContact CD2-CG1 4.03Å; Y109-V333 HydrophobicContact CD2-CG2 3.47Å; Y109-V333 VanDerWaalsContact CD2-CG2 3.47Å; Y109-V333 HydrophobicContact CE2-CG2 4.06Å; Y109-V333 HydrophobicContact CG-CG2 4.26Å; T329-V333 HydrophobicContact CG2-CG2 4.37Å; T329-V333 WeakPolarHBondContact O-CB 3.37Å; T329-V333 WeakPolarHBondContact O-CG2 3.42Å; T329-V333 PolarHBondContact O-N 3.25Å; R330-V333 PolarHBondContact O-N 3.25Å; C331-V333 VanDerWaalsContact C-N 3.34Å; C331-V333 PolarHBondContact O-N 2.96Å; V333-A336 WeakPolarHBondContact O-CB 3.44Å; V333-A336 PolarHBondContact O-N 3.28Å; V333-E337 HydrophobicContact CG1-CG 4.48Å; V333-E337 WeakPolarHBondContact O-CG 3.38Å; V333-E337 PolarHBondContact O-N 3.08Å
334	A	89.8	Confident	88.3	Confident	53 Å²	53	53.5 Å²	53.5	44%	0.438	31%	0.306	S	S	.	.	H	α-helix	trans	-61.7	-46.9	175	0	0	0	0	0	111.9	R330 C331 A336 E337 E338	R330-A334 WeakPolarHBondContact O-CB 3.42Å; R330-A334 PolarHBondContact O-N 3.39Å; C331-A334 PolarHBondContact O-N 3.03Å; A334-A336 VanDerWaalsContact C-N 3.25Å; A334-A336 PolarHBondContact O-N 3.04Å; A334-E337 PolarHBondContact O-N 3.45Å; A334-E338 PolarHBondContact O-N 2.9Å
335	N	87.1	Confident	88.1	Confident	43 Å²	43	57.4 Å²	57.4	23%	0.23	33%	0.329	C	S	.	.	H	α-helix	trans	-56.7	-41.1	174.3	-68.5	15.6	0	0	0	111.5	C331 L332 E338 L339	C331-N335 PolarHBondContact O-N 3.25Å; C331-N335 VanDerWaalsContact O-N 3.1Å; C331-N335 PolarHBondContact O-OD1 3.05Å; L332-N335 PolarHBondContact O-N 3.37Å; N335-E338 PolarHBondContact O-N 3.12Å; N335-L339 VanDerWaalsContact O-CG 3.31Å; N335-L339 WeakPolarHBondContact O-CG 3.2Å; N335-L339 PolarHBondContact O-N 2.94Å
336	A	88	Confident	88	Confident	2 Å²	2	58.9 Å²	58.9	2%	0.017	34%	0.336	C	S	.	.	H	α-helix	trans	-67.4	-42.1	177.9	0	0	0	0	0	113.4	V108 L332 V333 A334 E338 L339 V340 L354	V108-A336 HydrophobicContact CB-CB 3.98Å; V108-A336 HydrophobicContact CG1-CB 3.55Å; V108-A336 HydrophobicContact CG2-CB 4.14Å; L332-A336 PolarHBondContact O-N 3.46Å; V333-A336 WeakPolarHBondContact O-CB 3.44Å; V333-A336 PolarHBondContact O-N 3.28Å; A334-A336 VanDerWaalsContact C-N 3.25Å; A334-A336 PolarHBondContact O-N 3.04Å; A336-E338 VanDerWaalsContact C-N 3.3Å; A336-E338 PolarHBondContact O-N 3Å; A336-L339 PolarHBondContact O-N 3.42Å; A336-V340 WeakPolarHBondContact O-CB 3.34Å; A336-V340 VanDerWaalsContact O-CG2 3.29Å; A336-V340 WeakPolarHBondContact O-CG2 3.28Å; A336-V340 PolarHBondContact O-N 2.9Å; A336-L354 HydrophobicContact CB-CD2 4.38Å
337	E	86.7	Confident	87.9	Confident	54 Å²	54	60.6 Å²	60.6	25%	0.252	34%	0.344	S	S	.	.	H	α-helix	trans	-63.8	-36.1	174.3	-70.6	-161	148.9	0	0	111.7	K101 V105 V333 A334 S341	K101-E337 WeakPolarHBondContact CD-OE1 3.27Å; K101-E337 WeakPolarHBondContact CE-OE1 3.36Å; K101-E337 IonicContact NZ-OE1 2.6Å; K101-E337 PolarHBondContact NZ-OE1 2.71Å; K101-E337 IonicContact NZ-OE2 2.76Å; K101-E337 PolarHBondContact NZ-OE2 2.96Å; V105-E337 HydrophobicContact CG1-CG 3.82Å; V105-E337 HydrophobicContact CG2-CG 4.11Å; V333-E337 HydrophobicContact CG1-CG 4.48Å; V333-E337 WeakPolarHBondContact O-CG 3.38Å; V333-E337 PolarHBondContact O-N 3.08Å; A334-E337 PolarHBondContact O-N 3.45Å; E337-S341 VanDerWaalsContact O-CB 3.3Å; E337-S341 WeakPolarHBondContact O-CB 3.48Å; E337-S341 PolarHBondContact O-N 3.45Å; E337-S341 PolarHBondContact O-OG 3.3Å
338	E	87.7	Confident	87.8	Confident	100 Å²	100	66.2 Å²	66.2	47%	0.467	36%	0.361	S	S	.	.	H	α-helix	trans	-67.3	-44.9	176.9	-165.8	-173.5	151.6	0	0	112.2	A334 N335 A336 S341 K342	A334-E338 PolarHBondContact O-N 2.9Å; N335-E338 PolarHBondContact O-N 3.12Å; A336-E338 VanDerWaalsContact C-N 3.3Å; A336-E338 PolarHBondContact O-N 3Å; E338-S341 PolarHBondContact O-N 3.1Å; E338-K342 HydrophobicContact CG-CD 4.29Å; E338-K342 WeakPolarHBondContact O-CB 3.19Å; E338-K342 WeakPolarHBondContact O-CG 3.43Å; E338-K342 PolarHBondContact O-N 2.88Å; E338-K342 WeakPolarHBondContact OE1-CE 3.37Å; E338-K342 IonicContact OE1-NZ 3.27Å; E338-K342 PolarHBondContact OE1-NZ 3.19Å
339	L	87.7	Confident	87.5	Confident	19 Å²	19	68.1 Å²	68.1	10%	0.099	37%	0.374	C	S	.	.	H	α-helix	trans	-60.7	-45.6	175.2	-71.1	168.5	0	0	0	111.8	N335 A336 S341 K342 G343 V344 I350 T353	N335-L339 VanDerWaalsContact O-CG 3.31Å; N335-L339 WeakPolarHBondContact O-CG 3.2Å; N335-L339 PolarHBondContact O-N 2.94Å; A336-L339 PolarHBondContact O-N 3.42Å; L339-S341 VanDerWaalsContact C-N 3.3Å; L339-S341 PolarHBondContact O-N 2.92Å; L339-K342 CarbonylContact O-C 3.46Å; L339-K342 PolarHBondContact O-N 2.88Å; L339-G343 PolarHBondContact O-N 3.44Å; L339-V344 HydrophobicContact CB-CB 4.19Å; L339-V344 HydrophobicContact CB-CG2 4.47Å; L339-V344 HydrophobicContact CD2-CB 4.37Å; L339-V344 HydrophobicContact CD2-CG1 4.49Å; L339-V344 HydrophobicContact CD2-CG2 4.03Å; L339-V344 WeakPolarHBondContact O-CB 3.33Å; L339-V344 PolarHBondContact O-N 3.48Å; L339-I350 HydrophobicContact CD1-CG1 4.35Å; L339-T353 HydrophobicContact CD1-CG2 3.98Å
340	V	85.5	Confident	87.2	Confident	50 Å²	50	68.6 Å²	68.6	30%	0.303	38%	0.377	S	S	.	.	H	α-helix	trans	-62	-39.3	175	170.8	0	0	0	0	111.1	I104 A336 K342 G343	I104-V340 HydrophobicContact CB-CG2 4.21Å; I104-V340 HydrophobicContact CG2-CG2 3.67Å; A336-V340 WeakPolarHBondContact O-CB 3.34Å; A336-V340 VanDerWaalsContact O-CG2 3.29Å; A336-V340 WeakPolarHBondContact O-CG2 3.28Å; A336-V340 PolarHBondContact O-N 2.9Å; V340-K342 VanDerWaalsContact C-N 3.3Å; V340-K342 PolarHBondContact O-N 3.43Å; V340-G343 PolarHBondContact O-N 3.07Å; V340-G343 VanDerWaalsContact O-N 3.11Å
341	S	88	Confident	87.1	Confident	103 Å²	103	67 Å²	67	72%	0.72	38%	0.375	S	S	*	.	H	α-helix	trans	-68.7	-28.2	176.8	-57.7	0	0	0	0	113	E337 E338 L339 G343	E337-S341 VanDerWaalsContact O-CB 3.3Å; E337-S341 WeakPolarHBondContact O-CB 3.48Å; E337-S341 PolarHBondContact O-N 3.45Å; E337-S341 PolarHBondContact O-OG 3.3Å; E338-S341 PolarHBondContact O-N 3.1Å; L339-S341 VanDerWaalsContact C-N 3.3Å; L339-S341 PolarHBondContact O-N 2.92Å; S341-G343 VanDerWaalsContact C-N 3.25Å
342	K	88.1	Confident	86.9	Confident	140 Å²	140	66 Å²	66	61%	0.609	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-0.5	171.8	-74.3	169.9	169.8	173.2	0	113.6	E338 L339 V340 V344	E338-K342 HydrophobicContact CG-CD 4.29Å; E338-K342 WeakPolarHBondContact O-CB 3.19Å; E338-K342 WeakPolarHBondContact O-CG 3.43Å; E338-K342 PolarHBondContact O-N 2.88Å; E338-K342 WeakPolarHBondContact OE1-CE 3.37Å; E338-K342 IonicContact OE1-NZ 3.27Å; E338-K342 PolarHBondContact OE1-NZ 3.19Å; L339-K342 CarbonylContact O-C 3.46Å; L339-K342 PolarHBondContact O-N 2.88Å; V340-K342 VanDerWaalsContact C-N 3.3Å; V340-K342 PolarHBondContact O-N 3.43Å; K342-V344 VanDerWaalsContact C-N 3.33Å; K342-V344 HydrophobicContact CB-CG2 4.23Å
343	G	86.2	Confident	86.7	Confident	53 Å²	53	67.5 Å²	67.5	55%	0.546	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	13.7	-179.8	0	0	0	0	0	114.7	L339 V340 S341 V345	L339-G343 PolarHBondContact O-N 3.44Å; V340-G343 PolarHBondContact O-N 3.07Å; V340-G343 VanDerWaalsContact O-N 3.11Å; S341-G343 VanDerWaalsContact C-N 3.25Å; G343-V345 PolarHBondContact O-N 2.88Å
344	V	82.9	Confident	86.7	Confident	34 Å²	34	68 Å²	68	21%	0.206	39%	0.385	C	S	.	.			trans	-70.9	123.3	175.6	-174	0	0	0	0	108.8	L339 K342 D346 T349 I350	L339-V344 HydrophobicContact CB-CB 4.19Å; L339-V344 HydrophobicContact CB-CG2 4.47Å; L339-V344 HydrophobicContact CD2-CB 4.37Å; L339-V344 HydrophobicContact CD2-CG1 4.49Å; L339-V344 HydrophobicContact CD2-CG2 4.03Å; L339-V344 WeakPolarHBondContact O-CB 3.33Å; L339-V344 PolarHBondContact O-N 3.48Å; K342-V344 VanDerWaalsContact C-N 3.33Å; K342-V344 HydrophobicContact CB-CG2 4.23Å; V344-D346 VanDerWaalsContact CG1-OD1 3.3Å; V344-D346 WeakPolarHBondContact CG1-OD1 3.43Å; V344-T349 HydrophobicContact CG1-CG2 4.34Å; V344-I350 HydrophobicContact CG1-CG1 4.03Å
345	V	82.7	Confident	86.7	Confident	120 Å²	120	70.4 Å²	70.4	73%	0.727	39%	0.389	S	S	*	.			trans	-126	-7.4	-174.7	-76	0	0	0	0	113.7	G343	G343-V345 PolarHBondContact O-N 2.88Å
346	D	86	Confident	86.8	Confident	70 Å²	70	74.7 Å²	74.7	37%	0.374	41%	0.408	S	S	.	.			trans	-80.5	129.6	177.9	71.7	-71.8	0	0	0	110.9	V344 E348 T349 I350	V344-D346 VanDerWaalsContact CG1-OD1 3.3Å; V344-D346 WeakPolarHBondContact CG1-OD1 3.43Å; D346-E348 PolarHBondContact O-N 2.95Å; D346-T349 PolarHBondContact OD1-OG1 2.83Å; D346-T349 WeakPolarHBondContact OD2-CA 3.45Å; D346-T349 WeakPolarHBondContact OD2-CB 3.47Å; D346-T349 PolarHBondContact OD2-N 3.13Å; D346-T349 PolarHBondContact OD2-OG1 3.2Å; D346-I350 WeakPolarHBondContact O-CD1 3.29Å; D346-I350 VanDerWaalsContact O-CG1 3.26Å; D346-I350 WeakPolarHBondContact O-CG1 3.38Å; D346-I350 PolarHBondContact O-N 3.47Å
347	E	84.9	Confident	86.8	Confident	127 Å²	127	74.9 Å²	74.9	59%	0.593	41%	0.41	S	S	*	.	H	α-helix	trans	-68.9	-24.1	-173.5	-166.3	171	-174.1	0	0	112.1	K111 Q351	K111-E347 IonicContact NZ-OE1 3.44Å; K111-E347 PolarHBondContact NZ-OE1 3.17Å; E347-Q351 WeakPolarHBondContact O-CB 3.49Å; E347-Q351 PolarHBondContact O-N 2.89Å
348	E	86.1	Confident	87.1	Confident	170 Å²	170	75.1 Å²	75.1	79%	0.794	41%	0.413	S	S	*	.	H	α-helix	trans	-74.9	-47.4	-177.3	-168.6	164	-157.8	0	0	112.6	D346 Q351 G352	D346-E348 PolarHBondContact O-N 2.95Å; E348-Q351 PolarHBondContact O-N 3.46Å; E348-G352 PolarHBondContact O-N 2.9Å
349	T	85.8	Confident	87.2	Confident	70 Å²	70	71.9 Å²	71.9	43%	0.429	41%	0.407	S	S	.	.	H	α-helix	trans	-64.7	-42.7	172.7	-56.7	0	0	0	0	110.8	V344 D346 Q351 G352 T353	V344-T349 HydrophobicContact CG1-CG2 4.34Å; D346-T349 PolarHBondContact OD1-OG1 2.83Å; D346-T349 WeakPolarHBondContact OD2-CA 3.45Å; D346-T349 WeakPolarHBondContact OD2-CB 3.47Å; D346-T349 PolarHBondContact OD2-N 3.13Å; D346-T349 PolarHBondContact OD2-OG1 3.2Å; T349-Q351 VanDerWaalsContact C-N 3.3Å; T349-Q351 PolarHBondContact O-N 3.32Å; T349-G352 PolarHBondContact O-N 3.38Å; T349-T353 PolarHBondContact O-N 3.23Å; T349-T353 PolarHBondContact O-OG1 3.42Å
350	I	85.2	Confident	87.2	Confident	16 Å²	16	74.2 Å²	74.2	8%	0.082	42%	0.424	C	S	.	.	H	α-helix	trans	-58.1	-45.2	175.6	-66.2	168.4	0	0	0	110.5	L339 V344 D346 L354	L339-I350 HydrophobicContact CD1-CG1 4.35Å; V344-I350 HydrophobicContact CG1-CG1 4.03Å; D346-I350 WeakPolarHBondContact O-CD1 3.29Å; D346-I350 VanDerWaalsContact O-CG1 3.26Å; D346-I350 WeakPolarHBondContact O-CG1 3.38Å; D346-I350 PolarHBondContact O-N 3.47Å; I350-L354 HydrophobicContact CG2-CD1 3.9Å; I350-L354 WeakPolarHBondContact O-CB 3.16Å; I350-L354 WeakPolarHBondContact O-CD1 3.46Å; I350-L354 WeakPolarHBondContact O-CG 3.49Å; I350-L354 PolarHBondContact O-N 3.38Å; I350-L354 VanDerWaalsContact O-N 3.1Å
351	Q	87.2	Confident	87.5	Confident	105 Å²	105	72.7 Å²	72.7	49%	0.491	42%	0.416	S	S	.	.	H	α-helix	trans	-66.1	-41.7	177	-174.6	174.5	-58.5	0	0	112.2	E347 E348 T349 L354 I355	E347-Q351 WeakPolarHBondContact O-CB 3.49Å; E347-Q351 PolarHBondContact O-N 2.89Å; E348-Q351 PolarHBondContact O-N 3.46Å; T349-Q351 VanDerWaalsContact C-N 3.3Å; T349-Q351 PolarHBondContact O-N 3.32Å; Q351-L354 PolarHBondContact O-N 3.3Å; Q351-I355 HydrophobicContact CG-CD1 3.93Å; Q351-I355 VanDerWaalsContact O-CG1 3.28Å; Q351-I355 WeakPolarHBondContact O-CG1 3.34Å; Q351-I355 PolarHBondContact O-N 3.16Å
352	G	87.6	Confident	87.6	Confident	30 Å²	30	71.3 Å²	71.3	31%	0.309	40%	0.4	S	S	.	.	H	α-helix	trans	-58.3	-55.1	176.7	0	0	0	0	0	112.4	E348 T349 L354 I355 E356	E348-G352 PolarHBondContact O-N 2.9Å; T349-G352 PolarHBondContact O-N 3.38Å; G352-L354 VanDerWaalsContact C-N 3.28Å; G352-L354 PolarHBondContact O-N 3.1Å; G352-I355 WeakPolarHBondContact O-CB 3.42Å; G352-I355 PolarHBondContact O-N 2.92Å; G352-E356 PolarHBondContact O-N 3.09Å
353	T	87.5	Confident	87.5	Confident	40 Å²	40	70.2 Å²	70.2	25%	0.245	40%	0.398	C	S	.	.	H	α-helix	trans	-63.7	-30.7	179.2	-53	0	0	0	0	112.8	L339 T349 G357	L339-T353 HydrophobicContact CD1-CG2 3.98Å; T349-T353 PolarHBondContact O-N 3.23Å; T349-T353 PolarHBondContact O-OG1 3.42Å; T353-G357 PolarHBondContact O-N 3.06Å
354	L	90.5	Very high	87.5	Confident	28 Å²	28	74.5 Å²	74.5	15%	0.147	40%	0.402	C	S	.	.	H	α-helix	trans	-69.1	-37.3	172.2	-75.4	170.6	0	0	0	112.4	V108 L332 A336 I350 Q351 G352 L358	V108-L354 HydrophobicContact CG1-CD1 3.76Å; V108-L354 HydrophobicContact CG1-CD2 4.14Å; L332-L354 HydrophobicContact CB-CD2 4.12Å; L332-L354 HydrophobicContact CD2-CD2 4.19Å; L332-L354 WeakPolarHBondContact CD2-O 3.29Å; L332-L354 WeakPolarHBondContact O-CD2 3.31Å; A336-L354 HydrophobicContact CB-CD2 4.38Å; I350-L354 HydrophobicContact CG2-CD1 3.9Å; I350-L354 WeakPolarHBondContact O-CB 3.16Å; I350-L354 WeakPolarHBondContact O-CD1 3.46Å; I350-L354 WeakPolarHBondContact O-CG 3.49Å; I350-L354 PolarHBondContact O-N 3.38Å; I350-L354 VanDerWaalsContact O-N 3.1Å; Q351-L354 PolarHBondContact O-N 3.3Å; G352-L354 VanDerWaalsContact C-N 3.28Å; G352-L354 PolarHBondContact O-N 3.1Å; L354-L358 WeakPolarHBondContact O-CB 3.46Å; L354-L358 PolarHBondContact O-N 3.48Å
355	I	90.2	Very high	87.6	Confident	104 Å²	104	74.4 Å²	74.4	53%	0.533	40%	0.4	S	S	.	.	H	α-helix	trans	-67.8	-43.8	174.8	-69.7	165.3	0	0	0	110.6	Q351 G352 L358 G359	Q351-I355 HydrophobicContact CG-CD1 3.93Å; Q351-I355 VanDerWaalsContact O-CG1 3.28Å; Q351-I355 WeakPolarHBondContact O-CG1 3.34Å; Q351-I355 PolarHBondContact O-N 3.16Å; G352-I355 WeakPolarHBondContact O-CB 3.42Å; G352-I355 PolarHBondContact O-N 2.92Å; I355-L358 PolarHBondContact O-N 3.41Å; I355-G359 PolarHBondContact O-N 3.49Å
356	E	87.8	Confident	87.4	Confident	134 Å²	134	73.4 Å²	73.4	63%	0.626	39%	0.389	S	S	*	.	H	α-helix	trans	-63.5	-41.3	175.1	-69.1	178.2	154	0	0	112.3	G352 L358 G359 S360	G352-E356 PolarHBondContact O-N 3.09Å; E356-L358 VanDerWaalsContact C-N 3.35Å; E356-G359 PolarHBondContact O-N 3.3Å; E356-S360 WeakPolarHBondContact O-CB 3.4Å; E356-S360 PolarHBondContact O-N 3.17Å; E356-S360 PolarHBondContact O-OG 2.94Å
357	G	88.8	Confident	87.2	Confident	6 Å²	6	75.6 Å²	75.6	6%	0.062	40%	0.397	C	S	.	.	H	α-helix	trans	-61.7	-41	173.5	0	0	0	0	0	112.4	T353 S360 C361	T353-G357 PolarHBondContact O-N 3.06Å; G357-S360 PolarHBondContact O-N 3.29Å; G357-C361 PolarHBondContact O-N 2.73Å; G357-C361 PolarHBondContact O-SG 3.3Å
358	L	91.9	Very high	86.9	Confident	59 Å²	59	72.5 Å²	72.5	31%	0.309	39%	0.394	S	S	.	.	H	α-helix	trans	-65.1	-45.7	175.5	177.9	62.1	0	0	0	111.1	M328 L332 L354 I355 E356 S360 C361 L362	M328-L358 HydrophobicContact CE-CD1 3.76Å; L332-L358 HydrophobicContact CD1-CD1 4.33Å; L332-L358 HydrophobicContact CD2-CB 4.13Å; L354-L358 WeakPolarHBondContact O-CB 3.46Å; L354-L358 PolarHBondContact O-N 3.48Å; I355-L358 PolarHBondContact O-N 3.41Å; E356-L358 VanDerWaalsContact C-N 3.35Å; L358-S360 VanDerWaalsContact C-N 3.33Å; L358-S360 PolarHBondContact O-N 3.21Å; L358-C361 PolarHBondContact O-N 2.76Å; L358-L362 HydrophobicContact CD1-CD1 4.3Å; L358-L362 HydrophobicContact CD1-CG 4.39Å; L358-L362 HydrophobicContact CG-CD1 4.11Å; L358-L362 WeakPolarHBondContact O-CG 3.3Å; L358-L362 PolarHBondContact O-N 2.6Å
359	G	90.5	Very high	86.3	Confident	32 Å²	32	66 Å²	66	33%	0.33	37%	0.365	S	S	.	.	H	α-helix	trans	-58.2	-44	174.8	0	0	0	0	0	112.4	I355 E356 C361 L362 M363	I355-G359 PolarHBondContact O-N 3.49Å; E356-G359 PolarHBondContact O-N 3.3Å; G359-C361 PolarHBondContact O-N 3.24Å; G359-L362 PolarHBondContact O-N 3.04Å; G359-M363 WeakPolarHBondContact O-CG 3Å; G359-M363 PolarHBondContact O-N 3.4Å
360	S	89.1	Confident	85.7	Confident	68 Å²	68	67.2 Å²	67.2	48%	0.476	38%	0.377	S	S	.	.	H	α-helix	trans	-62.9	-38.7	176.3	-60.3	0	0	0	0	112.8	E356 G357 L358 K364	E356-S360 WeakPolarHBondContact O-CB 3.4Å; E356-S360 PolarHBondContact O-N 3.17Å; E356-S360 PolarHBondContact O-OG 2.94Å; G357-S360 PolarHBondContact O-N 3.29Å; L358-S360 VanDerWaalsContact C-N 3.33Å; L358-S360 PolarHBondContact O-N 3.21Å; S360-K364 WeakPolarHBondContact O-CG 3.33Å; S360-K364 PolarHBondContact O-N 3.3Å
361	C	90.2	Very high	84.2	Confident	18 Å²	18	79.2 Å²	79.2	12%	0.122	42%	0.421	C	S	.	.	H	α-helix	trans	-67.5	-41	174.5	-67.5	0	0	0	0	112.1	M328 G357 L358 G359 K364 L365	M328-C361 HydrophobicContact CE-CB 3.58Å; M328-C361 HydrophobicContact CG-CB 4.08Å; G357-C361 PolarHBondContact O-N 2.73Å; G357-C361 PolarHBondContact O-SG 3.3Å; L358-C361 PolarHBondContact O-N 2.76Å; G359-C361 PolarHBondContact O-N 3.24Å; C361-K364 PolarHBondContact O-N 3.15Å; C361-L365 PolarHBondContact O-N 3.24Å
362	L	89.7	Confident	84.1	Confident	74 Å²	74	78 Å²	78	39%	0.387	42%	0.418	S	S	.	.	H	α-helix	trans	-66.3	-39.3	177.2	-71	169.4	0	0	0	112.1	M328 L358 G359 L365 I366	M328-L362 HydrophobicContact CE-CD2 3.68Å; M328-L362 HydrophobicContact CE-CG 3.82Å; L358-L362 HydrophobicContact CD1-CD1 4.3Å; L358-L362 HydrophobicContact CD1-CG 4.39Å; L358-L362 HydrophobicContact CG-CD1 4.11Å; L358-L362 WeakPolarHBondContact O-CG 3.3Å; L358-L362 PolarHBondContact O-N 2.6Å; G359-L362 PolarHBondContact O-N 3.04Å; L362-L365 WeakPolarHBondContact O-CB 3.26Å; L362-L365 PolarHBondContact O-N 3.47Å; L362-I366 VanDerWaalsContact O-CG1 3.31Å; L362-I366 WeakPolarHBondContact O-CG1 3.3Å; L362-I366 PolarHBondContact O-N 3.43Å
363	M	86.2	Confident	83.9	Confident	116 Å²	116	80.5 Å²	80.5	57%	0.571	42%	0.424	S	S	*	.	H	α-helix	trans	-62.4	-45	174.7	-73.7	-65.1	-72	0	0	111.9	G359 L365 I366 E367	G359-M363 WeakPolarHBondContact O-CG 3Å; G359-M363 PolarHBondContact O-N 3.4Å; M363-L365 VanDerWaalsContact C-N 3.29Å; M363-L365 PolarHBondContact O-N 2.83Å; M363-I366 PolarHBondContact O-N 2.6Å; M363-I366 VanDerWaalsContact O-N 3.16Å; M363-E367 PolarHBondContact O-N 3.2Å
364	K	86	Confident	83.7	Confident	144 Å²	144	82.7 Å²	82.7	63%	0.626	43%	0.433	S	S	*	.	H	α-helix	trans	-60.7	-36.8	174	-72.2	175.3	-178.5	177.3	0	112.6	S360 C361 A368	S360-K364 WeakPolarHBondContact O-CG 3.33Å; S360-K364 PolarHBondContact O-N 3.3Å; C361-K364 PolarHBondContact O-N 3.15Å; K364-A368 WeakPolarHBondContact O-CB 3.4Å; K364-A368 PolarHBondContact O-N 2.98Å
365	L	85.1	Confident	83.3	Confident	32 Å²	32	85.9 Å²	85.9	17%	0.168	45%	0.45	C	S	.	.	H	α-helix	trans	-63.5	-47	173.7	-170.9	78.4	0	0	0	110.9	I320 V324 C361 L362 M363 E367 A368 V369	I320-L365 HydrophobicContact CD1-CD2 4.16Å; I320-L365 HydrophobicContact CG1-CD2 3.85Å; V324-L365 HydrophobicContact CG1-CD1 3.66Å; C361-L365 PolarHBondContact O-N 3.24Å; L362-L365 WeakPolarHBondContact O-CB 3.26Å; L362-L365 PolarHBondContact O-N 3.47Å; M363-L365 VanDerWaalsContact C-N 3.29Å; M363-L365 PolarHBondContact O-N 2.83Å; L365-E367 PolarHBondContact O-N 3.11Å; L365-A368 PolarHBondContact O-N 3.17Å; L365-V369 HydrophobicContact CG-CG2 4.36Å; L365-V369 WeakPolarHBondContact O-CG2 3.38Å; L365-V369 PolarHBondContact O-N 3.46Å
366	I	79.9	Confident	82.9	Confident	98 Å²	98	84.8 Å²	84.8	50%	0.503	45%	0.445	S	S	.	.	H	α-helix	trans	-61.7	-43.3	178.8	-67.5	162.1	0	0	0	111	L362 M363 A368 V369 S370	L362-I366 VanDerWaalsContact O-CG1 3.31Å; L362-I366 WeakPolarHBondContact O-CG1 3.3Å; L362-I366 PolarHBondContact O-N 3.43Å; M363-I366 PolarHBondContact O-N 2.6Å; M363-I366 VanDerWaalsContact O-N 3.16Å; I366-A368 VanDerWaalsContact C-N 3.34Å; I366-A368 PolarHBondContact O-N 2.67Å; I366-V369 PolarHBondContact O-N 2.9Å; I366-S370 WeakPolarHBondContact O-CB 3.47Å; I366-S370 PolarHBondContact O-N 2.89Å; I366-S370 PolarHBondContact O-OG 3.4Å
367	E	81.6	Confident	82.6	Confident	116 Å²	116	81.5 Å²	81.5	54%	0.542	43%	0.433	S	S	.	.	H	α-helix	trans	-62	-39	174.3	-74.7	-174	163.8	0	0	112.6	M363 L365 S370	M363-E367 PolarHBondContact O-N 3.2Å; L365-E367 PolarHBondContact O-N 3.11Å; E367-S370 PolarHBondContact O-N 3.43Å
368	A	77.9	Confident	82.1	Confident	63 Å²	63	86.9 Å²	86.9	52%	0.521	46%	0.46	S	S	.	.	H	α-helix	trans	-72.2	-28.7	178	0	0	0	0	0	113.4	K364 L365 I366	K364-A368 WeakPolarHBondContact O-CB 3.4Å; K364-A368 PolarHBondContact O-N 2.98Å; L365-A368 PolarHBondContact O-N 3.17Å; I366-A368 VanDerWaalsContact C-N 3.34Å; I366-A368 PolarHBondContact O-N 2.67Å
369	V	73.6	Confident	81.4	Confident	32 Å²	32	89.1 Å²	89.1	19%	0.194	47%	0.471	C	S	.	.	H	α-helix	trans	-79	-22.8	174.4	179.6	0	0	0	0	111.5	F319 L365 I366 R371	F319-V369 HydrophobicContact CB-CG2 4.13Å; F319-V369 HydrophobicContact CD1-CB 4.2Å; F319-V369 HydrophobicContact CD1-CG1 4.26Å; F319-V369 HydrophobicContact CD1-CG2 3.39Å; F319-V369 HydrophobicContact CD2-CG1 4.36Å; F319-V369 HydrophobicContact CE1-CB 4.16Å; F319-V369 HydrophobicContact CE1-CG1 4.13Å; F319-V369 HydrophobicContact CE1-CG2 3.85Å; F319-V369 HydrophobicContact CE2-CG1 4.28Å; F319-V369 HydrophobicContact CG-CG1 4.36Å; F319-V369 HydrophobicContact CG-CG2 3.79Å; F319-V369 HydrophobicContact CZ-CG1 4.13Å; L365-V369 HydrophobicContact CG-CG2 4.36Å; L365-V369 WeakPolarHBondContact O-CG2 3.38Å; L365-V369 PolarHBondContact O-N 3.46Å; I366-V369 PolarHBondContact O-N 2.9Å; V369-R371 VanDerWaalsContact C-N 3.34Å
370	S	72.7	Confident	80.6	Confident	96 Å²	96	93.8 Å²	93.8	67%	0.671	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	8.2	-176.5	-55.6	0	0	0	0	114	I366 E367	I366-S370 WeakPolarHBondContact O-CB 3.47Å; I366-S370 PolarHBondContact O-N 2.89Å; I366-S370 PolarHBondContact O-OG 3.4Å; E367-S370 PolarHBondContact O-N 3.43Å
371	R	55.3	Low	79.8	Confident	269 Å²	269	96.2 Å²	96.2	100%	1.015	48%	0.484	S	S	*	.			trans	-111.8	0	175.7	-69.3	-179.7	-174.2	-147.5	3.5	110.8	V369	V369-R371 VanDerWaalsContact C-N 3.34Å

Retrieved 371 of 371 residues in 115.6 ms (Link to these results)

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