A0A3Q0KRJ7_SCHMA Loading...

Putative arsenite-resistance protein 2

AlphaFold DB , UniProt , Accession A0A3Q0KRJ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,003 aa.

						>A0A3Q0KRJ7_SCHMA|A0A3Q0KRJ7
MADSDEESDRRRSRDKFRRERSDHDGRRRPGDKREPFDDRSGTVGAAPTREDHRLSGEGRNDRGRSPAEPPYKRPRKDNSDDYKPSSYQRKDTKSSSASEYDGMYRPPVIPFKRFLDPLDDLITEEEACSKYKEYKEGYMKRHTEEFFEAHKNEEWLRLRYHPDHMNERKAALSAAAKHRLDVFMELLHKGFLENQSVQMDNSENLIKLMDAVVIKLEGGSDEDLKVLEESDRNRYSDEELVHQSQSSGPICCENKSEGEAESDDDFEHEKLDTELTRKVMPEPLQTQGSTVECRTTNRRTRTESNKSGSSAPSQSSQSSDSDSGSSSDDEADESTKSKTEVEQKSNELGNTHDVARSEVDEDDDDVPTPTTAESPRGCKNEDSSVSMIIGSINDTSVKHPIFGDPSDAPQPKFANPPRLLHKTASIFFRALPPTIKESELKELCASQPGFIRLALWEPVPERRFMRHAWATYDPSVNIKKICWALNTSSLLREKLELPNGELGATVNRDLAQRVRPLTPLTRHKPVMRQDLILAAQLVARLDAKHNLWSDLEIPDSTNDLNTISKLKINGDSEFKNIYDSTALEMAIKSKNPLLKNLTDYLVDEGGSEEEALIAETQAEAEGCDNNNNNVVGRVHTVTLESDPNLARTLDLLILYLRIVHSMDYYAGAIYPMEDLMPHRCGILHARGDRGINPVPGARSSGLAFTQREINDHLQNFALKLRTLIEVPKDLTEEEMKKLGMRDPEKAAEEFVEANIQKRTGKKKPFKVVWVCPLSDKKFREPIFVRKHIFNKHMDKVEAAKKDNAIFYNNYLKDPRRPSLPEAPYHLLNQYYPSLNSNSNNNNHTYRGRGSGRGNTGGSYRGYRNNSLLSTAPSYVRGAGSFQDYYDVAAQQQQHQAMAAVAAAAAAALYPNAATAADLYALAAQAGAPRTGLGISRSRGQRGSSPSHDFNHRPYSSSTLDNRRRQPTNYSTNRRPVGGGGTTTGERTMISYNDLDDPGNDVL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	43.1	Very low	46.9	Very low	231 Å²	231	142.5 Å²	142.5	100%	1.138	74%	0.741	S	S	*	*				0	97.1	0	-75.7	-178	163.8	0	0	106.9
2	A	43.5	Very low	47	Very low	100 Å²	100	147.3 Å²	147.3	83%	0.826	74%	0.743	S	S	*	*			trans	175.4	79.2	-175.4	0	0	0	0	0	101.1
3	D	43.9	Very low	47	Very low	134 Å²	134	143.3 Å²	143.3	72%	0.717	74%	0.736	S	S	*	*			trans	-86.2	131.7	-153.6	-66.6	-72.3	0	0	0	112.9
4	S	42.9	Very low	47	Very low	103 Å²	103	149.1 Å²	149.1	72%	0.72	75%	0.745	S	S	*	*			trans	46.6	93.4	137.2	-53.5	0	0	0	0	119.2
5	D	50.6	Low	47.1	Very low	171 Å²	171	146.1 Å²	146.1	91%	0.914	73%	0.732	S	S	*	*			trans	-165.4	74.5	144.5	-103.3	-25.4	0	0	0	112.2
6	E	50.5	Low	47	Very low	145 Å²	145	147.3 Å²	147.3	68%	0.678	73%	0.731	S	S	*	*			trans	-154.2	-2.9	173.9	-137	-175.1	-119.3	0	0	116.5	S8 R10	E6-S8 VanDerWaalsContact C-N 3.28Å; E6-S8 PolarHBondContact O-N 3.24Å; E6-R10 IonicContact OE2-CZ 3.97Å; E6-R10 IonicContact OE2-NH2 3.05Å; E6-R10 PolarHBondContact OE2-NH2 3.05Å
7	E	47.7	Very low	46.9	Very low	124 Å²	124	149.1 Å²	149.1	58%	0.579	73%	0.734	S	S	*	*	S	Bend	trans	-75.8	-10.1	-169.4	-165.4	58.9	-146.7	0	0	114.3
8	S	47.7	Very low	46.8	Very low	94 Å²	94	151.9 Å²	151.9	66%	0.657	74%	0.735	S	S	*	*	S	Bend	trans	-74	-46.1	-169.6	-66.9	0	0	0	0	114.5	E6	E6-S8 VanDerWaalsContact C-N 3.28Å; E6-S8 PolarHBondContact O-N 3.24Å
9	D	49.9	Very low	46.7	Very low	106 Å²	106	153.4 Å²	153.4	57%	0.567	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-83.2	-22.9	-167	-74.6	-52	0	0	0	114.6	R11 R12	D9-R11 PolarHBondContact O-N 3.02Å; D9-R12 PolarHBondContact O-N 3.05Å; D9-R12 IonicContact OD1-NH1 3.58Å
10	R	50	Low	46.4	Very low	167 Å²	167	153 Å²	153	63%	0.63	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-59.2	-22	174.2	-68.3	-174.4	-177.5	128.8	16.1	112.7	E6	E6-R10 IonicContact OE2-CZ 3.97Å; E6-R10 IonicContact OE2-NH2 3.05Å; E6-R10 PolarHBondContact OE2-NH2 3.05Å
11	R	46.6	Very low	46.4	Very low	193 Å²	193	157.3 Å²	157.3	73%	0.728	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-79.5	-26.4	176.2	-62.5	-170.7	-179.6	-153.5	-0.8	114	D9	D9-R11 PolarHBondContact O-N 3.02Å
12	R	47.5	Very low	46.5	Very low	200 Å²	200	150.1 Å²	150.1	76%	0.755	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-26.7	179.6	-80.4	177.2	166.4	155.1	-6.6	113.8	D9 R14	D9-R12 PolarHBondContact O-N 3.05Å; D9-R12 IonicContact OD1-NH1 3.58Å; R12-R14 VanDerWaalsContact C-N 3.26Å; R12-R14 PolarHBondContact O-N 3.07Å
13	S	47.3	Very low	46.6	Very low	95 Å²	95	149.7 Å²	149.7	66%	0.664	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-65.9	-25.8	-179.8	-166.1	0	0	0	0	113.7
14	R	46.6	Very low	46.6	Very low	225 Å²	225	152 Å²	152	85%	0.849	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-84.6	-10	-167.7	-174.6	166.6	162.4	135.7	-2.9	115.7	R12	R12-R14 VanDerWaalsContact C-N 3.26Å; R12-R14 PolarHBondContact O-N 3.07Å
15	D	48.2	Very low	46.8	Very low	103 Å²	103	155.2 Å²	155.2	55%	0.551	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-103.5	7.7	-172.6	-130.2	-13.4	0	0	0	114.9	F17 R18	D15-F17 PolarHBondContact O-N 3.32Å; D15-R18 PolarHBondContact O-N 3.14Å; D15-R18 WeakPolarHBondContact OD1-CD 3.47Å
16	K	45.7	Very low	46.5	Very low	166 Å²	166	150.1 Å²	150.1	72%	0.722	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-59.7	-39.6	-179.2	-78	-169.9	173	-175	0	113.6	R18	K16-R18 PolarHBondContact O-N 2.99Å; K16-R18 VanDerWaalsContact O-N 3.09Å
17	F	46.2	Very low	46.2	Very low	178 Å²	178	154.9 Å²	154.9	78%	0.781	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-72.1	0.3	-176.4	-66.9	-65.7	0	0	0	115.2	D15	D15-F17 PolarHBondContact O-N 3.32Å
18	R	44.8	Very low	46.1	Very low	200 Å²	200	159.9 Å²	159.9	76%	0.755	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-91.1	-9.8	-177.8	-142.1	171.4	-168.8	161.2	2.8	114.6	D15 K16	D15-R18 PolarHBondContact O-N 3.14Å; D15-R18 WeakPolarHBondContact OD1-CD 3.47Å; K16-R18 PolarHBondContact O-N 2.99Å; K16-R18 VanDerWaalsContact O-N 3.09Å
19	R	45	Very low	46.2	Very low	179 Å²	179	165.7 Å²	165.7	68%	0.675	73%	0.731	S	S	*	*	S	Bend	trans	-100	-24.2	-177.7	-156.3	170.2	-173.5	157.6	3.5	114	R21 S22 D23	R19-R21 PolarHBondContact O-N 2.98Å; R19-R21 VanDerWaalsContact O-N 3.12Å; R19-S22 PolarHBondContact O-N 3.37Å; R19-S22 VanDerWaalsContact O-N 3.12Å; R19-S22 PolarHBondContact O-OG 3.18Å; R19-D23 IonicContact NE-OD2 3.91Å
20	E	41.2	Very low	45.8	Very low	145 Å²	145	167.1 Å²	167.1	68%	0.678	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-8.4	-177.2	-63.3	179.7	140.6	0	0	114.2
21	R	44.8	Very low	45.7	Very low	245 Å²	245	162.6 Å²	162.6	93%	0.925	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	2	172.2	-77.1	-170.4	171.2	-159.7	-4.6	114.8	R19	R19-R21 PolarHBondContact O-N 2.98Å; R19-R21 VanDerWaalsContact O-N 3.12Å
22	S	46.6	Very low	45.7	Very low	79 Å²	79	160.2 Å²	160.2	55%	0.552	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-21.3	174.2	51.6	0	0	0	0	114.2	R19 H24	R19-S22 PolarHBondContact O-N 3.37Å; R19-S22 VanDerWaalsContact O-N 3.12Å; R19-S22 PolarHBondContact O-OG 3.18Å; S22-H24 PolarHBondContact O-N 3.35Å
23	D	43.9	Very low	45.4	Very low	92 Å²	92	160.2 Å²	160.2	49%	0.492	76%	0.758	S	S	.	*			trans	-101.4	19.8	-162.3	-61.7	10.7	0	0	0	112.8	R19 D25 G26	R19-D23 IonicContact NE-OD2 3.91Å; D23-D25 PolarHBondContact O-N 3.09Å; D23-G26 PolarHBondContact O-N 2.9Å
24	H	45.2	Very low	45.1	Very low	181 Å²	181	166.5 Å²	166.5	84%	0.838	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-14.1	-169.5	-143.1	54.6	0	0	0	115	S22 G26	S22-H24 PolarHBondContact O-N 3.35Å; H24-G26 VanDerWaalsContact C-N 3.29Å
25	D	47.8	Very low	45.2	Very low	172 Å²	172	164.7 Å²	164.7	92%	0.92	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-7.2	169.6	-79.1	-57.4	0	0	0	113.5	D23	D23-D25 PolarHBondContact O-N 3.09Å
26	G	43	Very low	44.8	Very low	64 Å²	64	165.5 Å²	165.5	66%	0.66	78%	0.779	S	S	*	*	S	Bend	trans	-87.6	-13.6	-163.5	0	0	0	0	0	117.8	D23 H24	D23-G26 PolarHBondContact O-N 2.9Å; H24-G26 VanDerWaalsContact C-N 3.29Å
27	R	44.9	Very low	44.5	Very low	245 Å²	245	166.6 Å²	166.6	93%	0.925	78%	0.784	S	S	*	*			trans	-125.1	75.3	-167.5	-63.7	-166.9	-174.4	-152.6	2.5	114.5
28	R	45.5	Very low	44.5	Very low	229 Å²	229	164.5 Å²	164.5	86%	0.864	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-65.8	146.3	156.6	-70.1	-174.8	174.8	-163	-3.2	109.9	P30	R28-P30 WeakPolarHBondContact O-CD 3.28Å
29	R	48.5	Very low	44.4	Very low	215 Å²	215	162.4 Å²	162.4	81%	0.811	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-60.3	128.7	174.9	-79.5	179.2	169	158.2	-4.3	110.8	G31	R29-G31 PolarHBondContact O-N 3.36Å
30	P	42.9	Very low	44.1	Very low	137 Å²	137	165.5 Å²	165.5	89%	0.89	80%	0.797	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	119	156.6	-16.6	31.1	0	0	0	108.2	R28	R28-P30 WeakPolarHBondContact O-CD 3.28Å
31	G	46.4	Very low	44.1	Very low	71 Å²	71	164.4 Å²	164.4	73%	0.732	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	141.2	-30.2	177.9	0	0	0	0	0	115.5	R29 K33	R29-G31 PolarHBondContact O-N 3.36Å; G31-K33 PolarHBondContact O-N 2.92Å
32	D	47.7	Very low	43.7	Very low	144 Å²	144	156 Å²	156	77%	0.77	80%	0.795	S	S	*	*			trans	-72.6	90.6	177.7	-97.2	-43.8	0	0	0	111.1	R34	D32-R34 PolarHBondContact O-N 3.12Å
33	K	40.2	Very low	43.2	Very low	199 Å²	199	158.3 Å²	158.3	87%	0.865	81%	0.806	S	S	*	*			trans	-65.9	101.6	173.8	-68	-176.7	-178.1	-179.9	0	110	G31	G31-K33 PolarHBondContact O-N 2.92Å
34	R	42.2	Very low	42.9	Very low	228 Å²	228	161 Å²	161	86%	0.86	83%	0.825	S	S	*	*			trans	-79.5	117.6	164.1	-158.1	-178.9	-161.3	-160.1	3.1	108.4	D32 P36	D32-R34 PolarHBondContact O-N 3.12Å; R34-P36 WeakPolarHBondContact O-CD 3.49Å
35	E	47.9	Very low	42.5	Very low	186 Å²	186	155.7 Å²	155.7	87%	0.869	82%	0.819	S	S	*	*			trans	-62.2	135.5	-179.5	-67.7	-168.8	156	0	0	112.3
36	P	39.5	Very low	41.9	Very low	120 Å²	120	152.5 Å²	152.5	78%	0.779	82%	0.817	S	S	*	*			trans	-117.1	98.4	166.9	32.6	-16.4	0	0	0	111.3	R34	R34-P36 WeakPolarHBondContact O-CD 3.49Å
37	F	40.8	Very low	41.5	Very low	190 Å²	190	153.7 Å²	153.7	83%	0.833	82%	0.821	S	S	*	*			trans	-144.7	141	166.4	-109.3	-104.6	0	0	0	106.4
38	D	46.1	Very low	41.2	Very low	133 Å²	133	147.1 Å²	147.1	71%	0.711	81%	0.809	S	S	*	*			cis	-149.4	153	-1.2	-157.3	1.1	0	0	0	109.8
39	D	41.5	Very low	40.7	Very low	156 Å²	156	142.1 Å²	142.1	83%	0.834	81%	0.805	S	S	*	*			trans	-85.9	122.9	-178.9	-104.8	-50.5	0	0	0	111.5
40	R	40.1	Very low	39.9	Very low	244 Å²	244	141.5 Å²	141.5	92%	0.921	80%	0.802	S	S	*	*			trans	-137.4	108.6	161.7	-101.9	-177.7	-174.3	-157.1	-1.9	114.1
41	S	39.7	Very low	39.5	Very low	123 Å²	123	141.7 Å²	141.7	86%	0.86	79%	0.792	S	S	*	*			trans	-59.3	151.4	174.7	49.6	0	0	0	0	114.4
42	G	37.4	Very low	39.1	Very low	69 Å²	69	144.1 Å²	144.1	71%	0.711	79%	0.788	S	S	*	*			trans	161.5	45.8	179.3	0	0	0	0	0	115
43	T	36.3	Very low	38.7	Very low	127 Å²	127	144.8 Å²	144.8	78%	0.779	79%	0.786	S	S	*	*				83.5	99.4	101.7	-60.5	0	0	0	0	115.2
44	V	37.8	Very low	38.5	Very low	148 Å²	148	145.9 Å²	145.9	90%	0.897	78%	0.784	S	S	*	*			trans	60.8	129.9	143.9	-179	0	0	0	0	120
45	G	36.1	Very low	38.4	Very low	69 Å²	69	142.3 Å²	142.3	71%	0.711	78%	0.782	S	S	*	*			trans	145.7	96.3	138.2	0	0	0	0	0	118.6
46	A	36.4	Very low	37.9	Very low	105 Å²	105	138.9 Å²	138.9	87%	0.868	78%	0.778	S	S	*	*			trans	11.8	146.8	150	0	0	0	0	0	123.3
47	A	32.9	Very low	38	Very low	90 Å²	90	136.1 Å²	136.1	74%	0.744	77%	0.772	S	S	*	*			trans	-79.1	-176.4	163.2	0	0	0	0	0	111.6
48	P	40.6	Very low	37.9	Very low	106 Å²	106	136.4 Å²	136.4	69%	0.688	78%	0.776	S	S	*	*			cis	-140.1	-165.9	2.6	41.4	-20.2	0	0	0	115.7
49	T	33.5	Very low	37.6	Very low	125 Å²	125	133.4 Å²	133.4	77%	0.767	78%	0.776	S	S	*	*			trans	62	114.4	154	48.1	0	0	0	0	122.6
50	R	33	Very low	37.6	Very low	201 Å²	201	136.7 Å²	136.7	76%	0.758	78%	0.777	S	S	*	*				67.1	115	118.1	-167.8	173.7	176.4	135	19.7	121.3
51	E	34.7	Very low	37.5	Very low	142 Å²	142	132 Å²	132	66%	0.664	77%	0.77	S	S	*	*			trans	80.9	156.3	147.7	-78.9	166.3	-179.8	0	0	122.5
52	D	37.3	Very low	37.6	Very low	122 Å²	122	131 Å²	131	65%	0.652	76%	0.755	S	S	*	*			trans	71.8	97.1	163	-69.7	10.9	0	0	0	123.6
53	H	38.5	Very low	37.8	Very low	157 Å²	157	138.4 Å²	138.4	73%	0.727	76%	0.762	S	S	*	*				57	131.9	124.2	-55.3	-53.3	0	0	0	121.8
54	R	36.6	Very low	38	Very low	222 Å²	222	135.7 Å²	135.7	84%	0.838	76%	0.759	S	S	*	*				175.4	135.9	96.4	-96.8	-179.3	-178.8	143.9	6.9	116.2
55	L	39.2	Very low	38.1	Very low	154 Å²	154	139.9 Å²	139.9	81%	0.806	76%	0.759	S	S	*	*			trans	67.1	151.9	145	-57	168	0	0	0	118.3
56	S	38.6	Very low	38.6	Very low	113 Å²	113	141.6 Å²	141.6	79%	0.79	76%	0.76	S	S	*	*			cis	-161.3	168	-6.6	-120	0	0	0	0	113.2
57	G	40.8	Very low	38.9	Very low	63 Å²	63	142.1 Å²	142.1	65%	0.649	76%	0.755	S	S	*	*			trans	115.1	99.6	171.4	0	0	0	0	0	112.7
58	E	39	Very low	39.1	Very low	195 Å²	195	142.4 Å²	142.4	91%	0.911	76%	0.757	S	S	*	*				64.6	119.3	64.4	-58.7	-158.6	106.5	0	0	114.6
59	G	40.1	Very low	39.3	Very low	70 Å²	70	146.4 Å²	146.4	72%	0.722	77%	0.766	S	S	*	*			cis	177.8	170.4	-11.1	0	0	0	0	0	116.7
60	R	40.2	Very low	40	Very low	225 Å²	225	145 Å²	145	85%	0.849	76%	0.759	S	S	*	*			trans	75.3	146.7	142.5	-70.2	-167.9	179.6	-161.2	2.2	123.2
61	N	38.7	Very low	40.5	Very low	145 Å²	145	141.2 Å²	141.2	78%	0.775	76%	0.761	S	S	*	*			trans	78.5	146.8	159.6	-55.9	-18.1	0	0	0	119
62	D	41.9	Very low	41.2	Very low	104 Å²	104	143.8 Å²	143.8	56%	0.556	77%	0.766	S	S	*	*			cis	-167.3	150.9	-34.7	-154	-11	0	0	0	111.4
63	R	41.5	Very low	41.5	Very low	224 Å²	224	146.9 Å²	146.9	85%	0.845	77%	0.773	S	S	*	*			trans	57.9	153.3	167.8	-63.1	145.7	-142.9	-168.1	11.3	118
64	G	40.2	Very low	41.5	Very low	70 Å²	70	151 Å²	151	72%	0.722	78%	0.782	S	S	*	*			cis	-167.2	143.5	-6.8	0	0	0	0	0	109.8
65	R	40.5	Very low	42.2	Very low	235 Å²	235	146.5 Å²	146.5	89%	0.887	78%	0.782	S	S	*	*				84.9	97.2	81.1	-170.3	-170.4	-142.4	-89.8	1.6	115.5
66	S	46.7	Very low	42.1	Very low	106 Å²	106	150.5 Å²	150.5	74%	0.741	79%	0.786	S	S	*	*				-175	156.8	115.5	-81.1	0	0	0	0	113.5
67	P	43.2	Very low	42.2	Very low	116 Å²	116	154.3 Å²	154.3	75%	0.753	79%	0.789	S	S	*	*			trans	-136.6	170.2	-160.9	41.6	-23.2	0	0	0	118.2
68	A	37	Very low	42.2	Very low	95 Å²	95	156.6 Å²	156.6	79%	0.785	79%	0.786	S	S	*	*			trans	66	133.5	146.4	0	0	0	0	0	122.5
69	E	43.8	Very low	42.2	Very low	191 Å²	191	154.7 Å²	154.7	89%	0.893	78%	0.782	S	S	*	*				-157.7	154.5	119.7	-110.5	-171.9	176.5	0	0	111.9
70	P	48.3	Very low	42.2	Very low	96 Å²	96	156.4 Å²	156.4	62%	0.623	78%	0.783	S	S	*	*			trans	-111.6	163.6	-170.8	40.7	-32.7	0	0	0	115.7
71	P	43.9	Very low	42.3	Very low	121 Å²	121	152.9 Å²	152.9	79%	0.786	78%	0.781	S	S	*	*			trans	-87.1	149.2	-172.6	34.5	-36.6	0	0	0	115.1
72	Y	49.4	Very low	42.4	Very low	195 Å²	195	154.1 Å²	154.1	77%	0.765	79%	0.788	S	S	*	*			trans	-146.4	138	175	-91.1	-65.4	0	0	0	116.3
73	K	43.6	Very low	42.5	Very low	187 Å²	187	159.1 Å²	159.1	81%	0.813	80%	0.8	S	S	*	*			trans	70	110.3	148	-64.6	166.4	-171.5	175.2	0	120.2
74	R	37.6	Very low	42.6	Very low	243 Å²	243	157.8 Å²	157.8	92%	0.917	80%	0.801	S	S	*	*			trans	-85.8	154.7	155.5	-60.5	175.7	176.9	172.5	-3.2	111.4
75	P	51.5	Low	42.5	Very low	129 Å²	129	159.8 Å²	159.8	84%	0.838	80%	0.801	S	S	*	*			trans	-95	159.9	147.4	-3.5	23.8	0	0	0	112.2
76	R	36.8	Very low	42.2	Very low	237 Å²	237	154 Å²	154	89%	0.894	80%	0.797	S	S	*	*			trans	-111.9	140.4	173.1	-89.4	179.3	154.6	115.8	-10.9	110.7
77	K	42.1	Very low	41.7	Very low	193 Å²	193	153.8 Å²	153.8	84%	0.839	80%	0.795	S	S	*	*			trans	179	145.5	142.6	-135.9	171.4	177.1	173.9	0	110.4
78	D	41	Very low	41.6	Very low	112 Å²	112	158.2 Å²	158.2	60%	0.599	80%	0.798	S	S	*	*			cis	-159.2	165.6	-39	-92.4	-23.7	0	0	0	107.2
79	N	37.9	Very low	41.8	Very low	155 Å²	155	159.8 Å²	159.8	83%	0.829	79%	0.79	S	S	*	*			trans	77.9	161.5	158.9	-66	-7.5	0	0	0	122
80	S	40	Very low	41.3	Very low	105 Å²	105	163.1 Å²	163.1	73%	0.734	79%	0.794	S	S	*	*			trans	60.2	80.7	-176	52.9	0	0	0	0	117.1
81	D	43	Very low	40.8	Very low	152 Å²	152	165.5 Å²	165.5	81%	0.813	80%	0.795	S	S	*	*				40.7	107.6	119.2	-48.1	-49.7	0	0	0	119.1
82	D	41.4	Very low	40.5	Very low	171 Å²	171	164.7 Å²	164.7	91%	0.914	78%	0.783	S	S	*	*				-157.1	156.2	106.7	-134.5	-31.5	0	0	0	112.4
83	Y	42.7	Very low	40.2	Very low	209 Å²	209	162.4 Å²	162.4	82%	0.82	79%	0.79	S	S	*	*			trans	-127.5	100.1	-157.4	-137.5	-78	0	0	0	114.2
84	K	44.3	Very low	40.1	Very low	195 Å²	195	163 Å²	163	85%	0.848	79%	0.793	S	S	*	*			trans	176.3	158.4	137.4	-99.5	161.4	-176.4	173.6	0	114.2
85	P	37.8	Very low	40.2	Very low	112 Å²	112	155 Å²	155	73%	0.727	77%	0.774	S	S	*	*			trans	-80.5	161.1	-171.2	33.6	-36	0	0	0	113.8	S87	P85-S87 PolarHBondContact O-N 3.12Å
86	S	34.9	Very low	39.7	Very low	114 Å²	114	153 Å²	153	80%	0.797	76%	0.763	S	S	*	*			trans	-64.6	114.8	-179.9	-172.4	0	0	0	0	112.7
87	S	34.9	Very low	40	Very low	102 Å²	102	145.7 Å²	145.7	71%	0.713	75%	0.748	S	S	*	*			trans	-146.1	48.9	169.2	71.8	0	0	0	0	111.9	P85 Q89	P85-S87 PolarHBondContact O-N 3.12Å; S87-Q89 PolarHBondContact O-N 3.36Å
88	Y	42	Very low	40.3	Very low	208 Å²	208	138.9 Å²	138.9	82%	0.816	73%	0.728	S	S	*	*			trans	-80.7	89.7	167.2	-68.3	-75.7	0	0	0	108.3
89	Q	40	Very low	41	Very low	129 Å²	129	137.5 Å²	137.5	60%	0.603	73%	0.727	S	S	*	*				86.8	115.6	91.9	-86.7	-163.1	3.6	0	0	112.1	S87 K91	S87-Q89 PolarHBondContact O-N 3.36Å; Q89-K91 HydrophobicContact CB-CG 4.39Å; Q89-K91 PolarHBondContact O-N 3.2Å; Q89-K91 VanDerWaalsContact O-N 3.15Å
90	R	33.9	Very low	41.8	Very low	260 Å²	260	135.7 Å²	135.7	98%	0.981	71%	0.714	S	S	*	*			trans	-65	108.3	158.1	-81	-178.4	166.9	-167.1	-4.3	108.1
91	K	37.9	Very low	42.6	Very low	147 Å²	147	135 Å²	135	64%	0.639	70%	0.695	S	S	*	*			trans	-142.5	141.2	172	-84.1	-165.3	153	-146.9	0	107.7	Q89	Q89-K91 HydrophobicContact CB-CG 4.39Å; Q89-K91 PolarHBondContact O-N 3.2Å; Q89-K91 VanDerWaalsContact O-N 3.15Å
92	D	37.4	Very low	43.3	Very low	103 Å²	103	133.1 Å²	133.1	55%	0.551	69%	0.685	S	S	*	*			cis	-144.7	109.6	-13.7	-87.9	-49.4	0	0	0	107	K94	D92-K94 VanDerWaalsContact C-N 3.33Å; D92-K94 PolarHBondContact O-N 3.46Å
93	T	43	Very low	44.3	Very low	148 Å²	148	127.8 Å²	127.8	91%	0.908	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	35.6	-179.5	59.3	0	0	0	0	112.3
94	K	41.2	Very low	45.4	Very low	200 Å²	200	119.7 Å²	119.7	87%	0.87	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.1	12.3	-175.9	-145.7	176.1	-178.7	-178.7	0	115.2	D92	D92-K94 VanDerWaalsContact C-N 3.33Å; D92-K94 PolarHBondContact O-N 3.46Å
95	S	40.7	Very low	46.7	Very low	75 Å²	75	113 Å²	113	52%	0.524	61%	0.611	S	S	.	*	S	Bend	trans	-99.7	-19.7	174.9	50	0	0	0	0	114.1	S97 A98	S95-S97 VanDerWaalsContact C-N 3.25Å; S95-S97 PolarHBondContact O-N 3.39Å; S95-S97 VanDerWaalsContact O-N 3.17Å; S95-A98 WeakPolarHBondContact O-CB 3.43Å; S95-A98 PolarHBondContact O-N 3.38Å
96	S	41.1	Very low	48.7	Very low	86 Å²	86	109.5 Å²	109.5	60%	0.601	58%	0.583	S	S	*	*	H	α-helix	trans	-59.8	-29.5	-173.4	49.8	0	0	0	0	114.8	A98 S99	S96-A98 PolarHBondContact O-N 3.49Å; S96-S99 PolarHBondContact O-OG 2.9Å
97	S	43.4	Very low	50.6	Low	84 Å²	84	105.7 Å²	105.7	59%	0.587	56%	0.555	S	S	*	*	H	α-helix	trans	-72.7	-11.9	176.7	-172.1	0	0	0	0	113.9	S95 Y101	S95-S97 VanDerWaalsContact C-N 3.25Å; S95-S97 PolarHBondContact O-N 3.39Å; S95-S97 VanDerWaalsContact O-N 3.17Å; S97-Y101 WeakPolarHBondContact O-CD2 3.45Å
98	A	47.5	Very low	52.7	Low	50 Å²	50	101 Å²	101	41%	0.413	52%	0.523	S	S	.	.	H	α-helix	trans	-86.5	-38.6	178.3	0	0	0	0	0	111.9	S95 S96 E100	S95-A98 WeakPolarHBondContact O-CB 3.43Å; S95-A98 PolarHBondContact O-N 3.38Å; S96-A98 PolarHBondContact O-N 3.49Å; A98-E100 VanDerWaalsContact C-N 3.33Å; A98-E100 PolarHBondContact O-N 3.19Å
99	S	55.1	Low	54.5	Low	82 Å²	82	93 Å²	93	57%	0.573	50%	0.495	S	S	*	.	H	α-helix	trans	-70.6	-22.3	-177.3	43.2	0	0	0	0	114.5	S96 Y101	S96-S99 PolarHBondContact O-OG 2.9Å; S99-Y101 VanDerWaalsContact C-N 3.35Å
100	E	55.4	Low	56.5	Low	118 Å²	118	88.5 Å²	88.5	55%	0.551	48%	0.475	S	S	*	.	H	α-helix	trans	-74.5	-24.4	-177.3	-175.8	158.7	-155.9	0	0	113.6	A98 R464	A98-E100 VanDerWaalsContact C-N 3.33Å; A98-E100 PolarHBondContact O-N 3.19Å; E100-R464 IonicContact OE1-CZ 3.43Å; E100-R464 IonicContact OE1-NH1 2.75Å; E100-R464 IonicContact OE1-NH2 2.98Å; E100-R464 PolarHBondContact OE1-NH2 2.86Å
101	Y	57.6	Low	58.9	Low	90 Å²	90	77.5 Å²	77.5	35%	0.353	44%	0.437	S	S	.	.	H	α-helix	trans	-87.2	-24.2	177.2	-67.5	-68.3	0	0	0	113.7	S97 S99 G103 M104 Y105	S97-Y101 WeakPolarHBondContact O-CD2 3.45Å; S99-Y101 VanDerWaalsContact C-N 3.35Å; Y101-G103 VanDerWaalsContact C-N 3.28Å; Y101-G103 PolarHBondContact O-N 3.39Å; Y101-M104 PolarHBondContact O-N 3.38Å; Y101-Y105 HydrophobicContact CD1-CD2 4.29Å; Y101-Y105 AromaticContact CD1-CE2 3.95Å; Y101-Y105 HydrophobicContact CD1-CE2 3.95Å; Y101-Y105 PolarHBondContact O-N 3.18Å
102	D	56.9	Low	61.1	Low	113 Å²	113	73.8 Å²	73.8	60%	0.604	42%	0.421	S	S	*	.	H	α-helix	trans	-64.4	-31.5	-170.4	-150.1	38.7	0	0	0	112.7
103	G	63.1	Low	63.2	Low	58 Å²	58	77 Å²	77	60%	0.598	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	1.9	173.2	0	0	0	0	0	115.5	Y101	Y101-G103 VanDerWaalsContact C-N 3.28Å; Y101-G103 PolarHBondContact O-N 3.39Å
104	M	64.9	Low	65	Low	40 Å²	40	72.5 Å²	72.5	20%	0.197	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-30.4	-179	-90.9	-179.7	59.4	0	0	113.8	Y101 R464	Y101-M104 PolarHBondContact O-N 3.38Å; M104-R464 HydrophobicContact CG-CG 3.79Å; M104-R464 PolarHBondContact SD-NE 3.26Å; M104-R464 PolarHBondContact SD-NH2 3.31Å
105	Y	72.7	Confident	67	Low	55 Å²	55	64.6 Å²	64.6	22%	0.216	36%	0.362	C	S	.	.	S	Bend	trans	-128.1	143.9	-173.9	-64.4	-72.6	0	0	0	111.3	Y101 P821 A823 L827	Y101-Y105 HydrophobicContact CD1-CD2 4.29Å; Y101-Y105 AromaticContact CD1-CE2 3.95Å; Y101-Y105 HydrophobicContact CD1-CE2 3.95Å; Y101-Y105 PolarHBondContact O-N 3.18Å; Y105-P821 WeakPolarHBondContact CA-O 3.35Å; Y105-P821 HydrophobicContact CD1-CB 4.4Å; Y105-P821 HydrophobicContact CD1-CG 3.97Å; Y105-P821 HydrophobicContact CE1-CG 4.23Å; Y105-A823 HydrophobicContact CG-CB 4.23Å; Y105-L827 HydrophobicContact CD2-CD1 4.13Å; Y105-L827 HydrophobicContact CE2-CD1 4.32Å
106	R	78.5	Confident	69.1	Low	37 Å²	37	64 Å²	64	14%	0.14	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-64.4	131.6	160.5	-169.8	-174.1	-179.8	-177.5	1.7	108	Y139 M140 L820 P821 A823	R106-Y139 PolarHBondContact NE-OH 3.03Å; R106-Y139 VanDerWaalsContact NE-OH 3.16Å; R106-M140 PolarHBondContact NH1-SD 3.14Å; R106-M140 VanDerWaalsContact NH1-SD 3.37Å; R106-M140 PolarHBondContact NH2-SD 3.29Å; R106-L820 HydrophobicContact CB-CB 4.04Å; R106-P821 PolarHBondContact N-O 2.98Å; R106-A823 WeakPolarHBondContact O-CB 3.42Å; R106-A823 PolarHBondContact O-N 2.89Å
107	P	76.3	Confident	71.1	Confident	34 Å²	34	64.1 Å²	64.1	22%	0.221	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-48.8	143.2	168.9	-26.3	34.4	0	0	0	110.2	Y139 Y831	P107-Y139 PolarHBondContact O-OH 3.32Å; P107-Y831 HydrophobicContact CB-CD1 3.74Å; P107-Y831 HydrophobicContact CB-CE1 3.92Å; P107-Y831 HydrophobicContact CB-CG 4.3Å; P107-Y831 HydrophobicContact CG-CD1 4.02Å; P107-Y831 HydrophobicContact CG-CE1 3.83Å
108	P	77.3	Confident	72.9	Confident	4 Å²	4	65.1 Å²	65.1	3%	0.026	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-70.8	156.7	179.4	30.1	-31.9	0	0	0	110	I110 E822 A823 L828 Y831 Y832	P108-I110 PolarHBondContact O-N 3.07Å; P108-E822 WeakPolarHBondContact CA-OE1 3.41Å; P108-E822 HydrophobicContact CB-CG 4.42Å; P108-A823 HydrophobicContact CG-CB 4.49Å; P108-L828 HydrophobicContact CB-CD1 4.15Å; P108-L828 HydrophobicContact CG-CD1 3.59Å; P108-Y831 HydrophobicContact CG-CD2 4.11Å; P108-Y831 HydrophobicContact CG-CG 4.49Å; P108-Y832 HydrophobicContact CG-CE2 4.14Å; P108-Y832 VanDerWaalsContact O-CE2 3.31Å; P108-Y832 WeakPolarHBondContact O-CE2 3.42Å; P108-Y832 PolarHBondContact O-OH 3.35Å
109	V	81.4	Confident	74.5	Confident	39 Å²	39	65.6 Å²	65.6	24%	0.236	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-61.5	133.2	173	-173.4	0	0	0	0	109.7	P111 Y135 K136 Y139 E822	V109-P111 WeakPolarHBondContact O-CD 3.35Å; V109-P111 VanDerWaalsContact O-N 3.09Å; V109-Y135 HydrophobicContact CG1-CE1 3.94Å; V109-K136 HydrophobicContact CG1-CG 4.19Å; V109-Y139 HydrophobicContact CB-CE1 4.46Å; V109-Y139 HydrophobicContact CG2-CD1 4.23Å; V109-Y139 HydrophobicContact CG2-CE1 3.65Å; V109-E822 PolarHBondContact N-OE1 2.73Å; V109-E822 VanDerWaalsContact N-OE1 3.17Å
110	I	82.1	Confident	75.7	Confident	35 Å²	35	66.9 Å²	66.9	18%	0.179	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-57	119.5	172.7	-66.1	171.7	0	0	0	107.9	P108 R114 F115 Y132 Y135 Y832	P108-I110 PolarHBondContact O-N 3.07Å; I110-R114 HydrophobicContact CG2-CB 3.78Å; I110-F115 HydrophobicContact CG2-CB 4.03Å; I110-Y132 WeakPolarHBondContact O-CE2 3.45Å; I110-Y132 PolarHBondContact O-OH 3.12Å; I110-Y135 HydrophobicContact CB-CE1 4.02Å; I110-Y135 WeakPolarHBondContact CB-OH 3.35Å; I110-Y135 HydrophobicContact CD1-CE2 4.13Å; I110-Y135 WeakPolarHBondContact CD1-OH 3.16Å; I110-Y135 VanDerWaalsContact CG1-OH 3.23Å; I110-Y135 WeakPolarHBondContact CG1-OH 3.34Å; I110-Y135 PolarHBondContact N-OH 3.49Å; I110-Y832 HydrophobicContact CB-CE2 4.39Å; I110-Y832 HydrophobicContact CD1-CD1 4.33Å; I110-Y832 HydrophobicContact CD1-CE1 3.88Å; I110-Y832 HydrophobicContact CG1-CD1 4.01Å; I110-Y832 HydrophobicContact CG1-CD2 3.98Å; I110-Y832 HydrophobicContact CG1-CE1 3.58Å; I110-Y832 HydrophobicContact CG1-CE2 3.52Å; I110-Y832 HydrophobicContact CG1-CG 4.22Å
111	P	83.1	Confident	76.7	Confident	30 Å²	30	69.2 Å²	69.2	20%	0.195	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-69.5	143.9	-178.3	28.8	-35.7	0	0	0	109.9	V109 K113 R114 F115 L828	V109-P111 WeakPolarHBondContact O-CD 3.35Å; V109-P111 VanDerWaalsContact O-N 3.09Å; P111-K113 PolarHBondContact O-N 2.83Å; P111-R114 HydrophobicContact CG-CB 4.08Å; P111-R114 HydrophobicContact CG-CG 3.85Å; P111-R114 WeakPolarHBondContact O-CA 3.42Å; P111-R114 PolarHBondContact O-N 3.08Å; P111-F115 PolarHBondContact O-N 3.28Å; P111-F115 VanDerWaalsContact O-N 3.15Å; P111-L828 HydrophobicContact CG-CD2 4.29Å
112	F	84.1	Confident	77.8	Confident	68 Å²	68	72.1 Å²	72.1	30%	0.298	38%	0.384	S	S	.	.	H	α-helix	trans	-42.9	-46.7	-172.9	-175.2	-128.5	0	0	0	113.7	R114 F115 L116 A128 Y132	F112-R114 VanDerWaalsContact C-N 3.33Å; F112-R114 PolarHBondContact O-N 3.42Å; F112-F115 WeakPolarHBondContact O-CA 3.45Å; F112-F115 WeakPolarHBondContact O-CB 3.23Å; F112-F115 PolarHBondContact O-N 2.89Å; F112-L116 HydrophobicContact CD1-CD1 4.48Å; F112-L116 HydrophobicContact CD2-CD2 4.4Å; F112-L116 HydrophobicContact CE1-CD1 4.06Å; F112-L116 HydrophobicContact CE2-CD2 3.82Å; F112-L116 HydrophobicContact CE2-CG 4.3Å; F112-L116 HydrophobicContact CZ-CD1 4.11Å; F112-L116 HydrophobicContact CZ-CD2 4Å; F112-L116 HydrophobicContact CZ-CG 4.35Å; F112-L116 WeakPolarHBondContact O-CG 3.35Å; F112-L116 PolarHBondContact O-N 3.48Å; F112-A128 HydrophobicContact CE2-CB 4.42Å; F112-A128 HydrophobicContact CZ-CB 4.22Å; F112-Y132 HydrophobicContact CB-CD1 4.15Å; F112-Y132 HydrophobicContact CB-CE1 3.67Å; F112-Y132 HydrophobicContact CB-CE2 4.33Å; F112-Y132 AromaticContact CD2-CD1 3.45Å; F112-Y132 HydrophobicContact CD2-CD1 3.45Å; F112-Y132 VanDerWaalsContact CD2-CD1 3.45Å; F112-Y132 HydrophobicContact CD2-CD2 4.02Å; F112-Y132 AromaticContact CD2-CE1 3.91Å; F112-Y132 HydrophobicContact CD2-CE1 3.91Å; F112-Y132 HydrophobicContact CD2-CE2 4.43Å; F112-Y132 AromaticContact CD2-CG 3.5Å; F112-Y132 HydrophobicContact CD2-CG 3.5Å; F112-Y132 VanDerWaalsContact CD2-CG 3.5Å; F112-Y132 HydrophobicContact CE2-CD1 4.15Å; F112-Y132 HydrophobicContact CE2-CG 4.09Å; F112-Y132 HydrophobicContact CG-CD1 4.09Å; F112-Y132 HydrophobicContact CG-CE1 4.12Å; F112-Y132 HydrophobicContact CG-CG 4.48Å; F112-Y132 PolarHBondContact N-OH 2.91Å; F112-Y132 VanDerWaalsContact N-OH 3.14Å
113	K	82.1	Confident	79.1	Confident	170 Å²	170	68.6 Å²	68.6	74%	0.739	37%	0.365	S	S	*	.	H	α-helix	trans	-54	-43	176.8	-173.9	170.6	-177.2	171.8	0	113.9	P111 L116 D117	P111-K113 PolarHBondContact O-N 2.83Å; K113-L116 PolarHBondContact O-N 2.92Å; K113-D117 PolarHBondContact O-N 3.19Å
114	R	80.6	Confident	80.1	Confident	54 Å²	54	69.1 Å²	69.1	20%	0.204	36%	0.357	C	S	.	.	H	α-helix	trans	-78	-19.4	176.7	-66	-67.8	-150.1	88.6	15.4	113.2	I110 P111 F112 L116 D117 N829 Y832	I110-R114 HydrophobicContact CG2-CB 3.78Å; P111-R114 HydrophobicContact CG-CB 4.08Å; P111-R114 HydrophobicContact CG-CG 3.85Å; P111-R114 WeakPolarHBondContact O-CA 3.42Å; P111-R114 PolarHBondContact O-N 3.08Å; F112-R114 VanDerWaalsContact C-N 3.33Å; F112-R114 PolarHBondContact O-N 3.42Å; R114-L116 VanDerWaalsContact C-N 3.33Å; R114-D117 WeakPolarHBondContact CD-OD2 3.43Å; R114-N829 PolarHBondContact NH2-OD1 3.21Å; R114-N829 VanDerWaalsContact NH2-OD1 3.08Å; R114-Y832 VanDerWaalsContact CZ-O 3.31Å; R114-Y832 PolarHBondContact NH1-O 3.01Å; R114-Y832 PolarHBondContact NH2-O 3.44Å
115	F	83.8	Confident	81.1	Confident	35 Å²	35	74.8 Å²	74.8	15%	0.154	38%	0.382	C	S	.	.	H	α-helix	trans	-75.5	-25.1	171.8	-179.9	-99.1	0	0	0	111.8	I110 P111 F112 P118 L119 K131 Y132 Y135	I110-F115 HydrophobicContact CG2-CB 4.03Å; P111-F115 PolarHBondContact O-N 3.28Å; P111-F115 VanDerWaalsContact O-N 3.15Å; F112-F115 WeakPolarHBondContact O-CA 3.45Å; F112-F115 WeakPolarHBondContact O-CB 3.23Å; F112-F115 PolarHBondContact O-N 2.89Å; F115-P118 WeakPolarHBondContact O-CD 3.38Å; F115-L119 HydrophobicContact CD1-CD1 4.17Å; F115-L119 HydrophobicContact CE1-CD1 3.89Å; F115-K131 HydrophobicContact CE1-CB 4.11Å; F115-K131 HydrophobicContact CZ-CB 4.15Å; F115-K131 WeakPolarHBondContact CZ-O 3.28Å; F115-Y132 HydrophobicContact CB-CD2 3.94Å; F115-Y132 HydrophobicContact CB-CE2 4.12Å; F115-Y132 AromaticContact CD1-CD2 3.67Å; F115-Y132 HydrophobicContact CD1-CD2 3.67Å; F115-Y132 HydrophobicContact CD1-CG 4.16Å; F115-Y132 HydrophobicContact CD2-CD2 4.23Å; F115-Y132 HydrophobicContact CE1-CD2 4.22Å; F115-Y132 AromaticContact CG-CD2 3.67Å; F115-Y132 HydrophobicContact CG-CD2 3.67Å; F115-Y132 HydrophobicContact CG-CE2 4.3Å; F115-Y135 AromaticContact CD2-CD1 3.99Å; F115-Y135 HydrophobicContact CD2-CD1 3.99Å; F115-Y135 HydrophobicContact CD2-CD2 4.17Å; F115-Y135 AromaticContact CD2-CG 3.81Å; F115-Y135 HydrophobicContact CD2-CG 3.81Å; F115-Y135 VanDerWaalsContact CE2-CB 3.41Å; F115-Y135 HydrophobicContact CE2-CD1 4.13Å; F115-Y135 AromaticContact CE2-CD2 3.87Å; F115-Y135 HydrophobicContact CE2-CD2 3.87Å; F115-Y135 AromaticContact CE2-CG 3.5Å; F115-Y135 HydrophobicContact CE2-CG 3.5Å; F115-Y135 HydrophobicContact CZ-CG 4.29Å
116	L	85	Confident	81.7	Confident	61 Å²	61	79.8 Å²	79.8	32%	0.319	41%	0.408	S	S	.	.	H	α-helix	trans	-78.9	-30.7	172.7	-57.6	-176.1	0	0	0	113.4	F112 K113 R114 L119 A128	F112-L116 HydrophobicContact CD1-CD1 4.48Å; F112-L116 HydrophobicContact CD2-CD2 4.4Å; F112-L116 HydrophobicContact CE1-CD1 4.06Å; F112-L116 HydrophobicContact CE2-CD2 3.82Å; F112-L116 HydrophobicContact CE2-CG 4.3Å; F112-L116 HydrophobicContact CZ-CD1 4.11Å; F112-L116 HydrophobicContact CZ-CD2 4Å; F112-L116 HydrophobicContact CZ-CG 4.35Å; F112-L116 WeakPolarHBondContact O-CG 3.35Å; F112-L116 PolarHBondContact O-N 3.48Å; K113-L116 PolarHBondContact O-N 2.92Å; R114-L116 VanDerWaalsContact C-N 3.33Å; L116-L119 HydrophobicContact CD2-CD1 4.1Å; L116-L119 PolarHBondContact O-N 3.11Å; L116-A128 HydrophobicContact CD2-CB 3.94Å
117	D	81.4	Confident	82.2	Confident	89 Å²	89	82.2 Å²	82.2	48%	0.476	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-32.7	-178.8	-67.3	-18	0	0	0	115.6	K113 R114	K113-D117 PolarHBondContact O-N 3.19Å; R114-D117 WeakPolarHBondContact CD-OD2 3.43Å
118	P	82.6	Confident	82.7	Confident	105 Å²	105	80.8 Å²	80.8	68%	0.682	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	2.9	177.2	1.5	21.5	0	0	0	115.1	F115	F115-P118 WeakPolarHBondContact O-CD 3.38Å
119	L	80.8	Confident	83.2	Confident	60 Å²	60	82.7 Å²	82.7	31%	0.314	43%	0.425	S	S	.	.	S	Bend	trans	-92.8	161.2	178.6	-62.2	178.5	0	0	0	110.8	F115 L116 I123	F115-L119 HydrophobicContact CD1-CD1 4.17Å; F115-L119 HydrophobicContact CE1-CD1 3.89Å; L116-L119 HydrophobicContact CD2-CD1 4.1Å; L116-L119 PolarHBondContact O-N 3.11Å; L119-I123 HydrophobicContact CD1-CD1 4Å
120	D	80.2	Confident	83.5	Confident	109 Å²	109	83.2 Å²	83.2	58%	0.583	43%	0.43	S	S	*	.			trans	-70.2	134.4	176.3	-168.7	-19.2	0	0	0	110.5	L122 I123	D120-L122 PolarHBondContact O-N 3.31Å; D120-L122 PolarHBondContact OD1-N 3.3Å; D120-L122 VanDerWaalsContact OD1-N 3.1Å; D120-I123 WeakPolarHBondContact O-CB 3.45Å; D120-I123 WeakPolarHBondContact O-CG2 3.32Å; D120-I123 PolarHBondContact O-N 3.3Å
121	D	76.9	Confident	83.8	Confident	167 Å²	167	85 Å²	85	89%	0.893	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-18.2	175.7	-74.8	-39.7	0	0	0	112.6	I123	D121-I123 VanDerWaalsContact C-N 3.33Å
122	L	80.6	Confident	84.1	Confident	151 Å²	151	85.3 Å²	85.3	79%	0.791	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	0.7	176.4	-61	178.3	0	0	0	114.7	D120	D120-L122 PolarHBondContact O-N 3.31Å; D120-L122 PolarHBondContact OD1-N 3.3Å; D120-L122 VanDerWaalsContact OD1-N 3.1Å
123	I	83	Confident	84.3	Confident	40 Å²	40	88.2 Å²	88.2	21%	0.205	45%	0.447	C	S	.	.			trans	-66.2	135.6	178.3	-166.6	174.3	0	0	0	112.1	L119 D120 D121 E127 A128 K131	L119-I123 HydrophobicContact CD1-CD1 4Å; D120-I123 WeakPolarHBondContact O-CB 3.45Å; D120-I123 WeakPolarHBondContact O-CG2 3.32Å; D120-I123 PolarHBondContact O-N 3.3Å; D121-I123 VanDerWaalsContact C-N 3.33Å; I123-E127 HydrophobicContact CD1-CB 4.09Å; I123-E127 HydrophobicContact CG1-CB 3.77Å; I123-A128 HydrophobicContact CD1-CB 3.95Å; I123-A128 HydrophobicContact CG1-CB 4.29Å; I123-A128 HydrophobicContact CG2-CB 4.24Å; I123-K131 HydrophobicContact CD1-CD 3.81Å
124	T	85.4	Confident	84.5	Confident	69 Å²	69	86.2 Å²	86.2	42%	0.423	44%	0.44	S	S	.	.			trans	-69.4	148.1	173.3	62.6	0	0	0	0	111.4	E126 E127 A128	T124-E126 PolarHBondContact O-N 3.5Å; T124-E127 PolarHBondContact O-N 3.44Å; T124-E127 VanDerWaalsContact OG1-CB 3.27Å; T124-E127 WeakPolarHBondContact OG1-CB 3.33Å; T124-E127 VanDerWaalsContact OG1-CG 3.24Å; T124-E127 WeakPolarHBondContact OG1-CG 3.34Å; T124-E127 PolarHBondContact OG1-N 2.8Å; T124-E127 PolarHBondContact OG1-OE1 3.36Å; T124-A128 WeakPolarHBondContact O-CB 3.34Å; T124-A128 PolarHBondContact O-N 2.89Å
125	E	84.6	Confident	84.9	Confident	158 Å²	158	85.3 Å²	85.3	74%	0.738	44%	0.437	S	S	*	.	H	α-helix	trans	-59.4	-35.8	179.2	-174.2	172.9	-174	0	0	112	A128 C129	E125-A128 PolarHBondContact O-N 3.45Å; E125-C129 WeakPolarHBondContact O-CB 3.34Å; E125-C129 PolarHBondContact O-N 3.46Å; E125-C129 PolarHBondContact O-SG 3Å
126	E	86.5	Confident	85	Confident	161 Å²	161	88.2 Å²	88.2	75%	0.752	45%	0.45	S	S	*	.	H	α-helix	trans	-66	-44.2	176.1	-61.3	-172.9	165.6	0	0	112.3	T124 S130	T124-E126 PolarHBondContact O-N 3.5Å; E126-S130 VanDerWaalsContact O-CB 3.31Å; E126-S130 WeakPolarHBondContact O-CB 3.46Å; E126-S130 PolarHBondContact O-N 3.46Å; E126-S130 PolarHBondContact O-OG 3.15Å
127	E	88.6	Confident	84.9	Confident	88 Å²	88	90.3 Å²	90.3	41%	0.411	46%	0.458	S	S	.	.	H	α-helix	trans	-65.1	-41.8	172.6	-81.4	177.7	-106.4	0	0	112.2	I123 T124 C129 S130 K131	I123-E127 HydrophobicContact CD1-CB 4.09Å; I123-E127 HydrophobicContact CG1-CB 3.77Å; T124-E127 PolarHBondContact O-N 3.44Å; T124-E127 VanDerWaalsContact OG1-CB 3.27Å; T124-E127 WeakPolarHBondContact OG1-CB 3.33Å; T124-E127 VanDerWaalsContact OG1-CG 3.24Å; T124-E127 WeakPolarHBondContact OG1-CG 3.34Å; T124-E127 PolarHBondContact OG1-N 2.8Å; T124-E127 PolarHBondContact OG1-OE1 3.36Å; E127-C129 VanDerWaalsContact C-N 3.35Å; E127-S130 PolarHBondContact O-N 3.01Å; E127-K131 WeakPolarHBondContact O-CB 3.39Å; E127-K131 VanDerWaalsContact O-CG 3.32Å; E127-K131 WeakPolarHBondContact O-CG 3.27Å; E127-K131 PolarHBondContact O-N 2.8Å; E127-K131 IonicContact OE2-NZ 3.96Å; E127-K131 PolarHBondContact OE2-NZ 2.9Å
128	A	86.9	Confident	85.2	Confident	4 Å²	4	87.3 Å²	87.3	3%	0.033	45%	0.448	C	S	.	.	H	α-helix	trans	-61.9	-44.9	179.1	0	0	0	0	0	111	F112 L116 I123 T124 E125 S130 Y132	F112-A128 HydrophobicContact CE2-CB 4.42Å; F112-A128 HydrophobicContact CZ-CB 4.22Å; L116-A128 HydrophobicContact CD2-CB 3.94Å; I123-A128 HydrophobicContact CD1-CB 3.95Å; I123-A128 HydrophobicContact CG1-CB 4.29Å; I123-A128 HydrophobicContact CG2-CB 4.24Å; T124-A128 WeakPolarHBondContact O-CB 3.34Å; T124-A128 PolarHBondContact O-N 2.89Å; E125-A128 PolarHBondContact O-N 3.45Å; A128-S130 VanDerWaalsContact C-N 3.35Å; A128-Y132 VanDerWaalsContact O-CB 3.27Å; A128-Y132 WeakPolarHBondContact O-CB 3.34Å; A128-Y132 PolarHBondContact O-N 2.95Å
129	C	87	Confident	85.3	Confident	43 Å²	43	82.6 Å²	82.6	29%	0.291	42%	0.416	S	S	.	.	H	α-helix	trans	-64.9	-36.9	174.1	-70.3	0	0	0	0	112.4	E125 E127 Y132 K133	E125-C129 WeakPolarHBondContact O-CB 3.34Å; E125-C129 PolarHBondContact O-N 3.46Å; E125-C129 PolarHBondContact O-SG 3Å; E127-C129 VanDerWaalsContact C-N 3.35Å; C129-Y132 PolarHBondContact O-N 3.23Å; C129-K133 WeakPolarHBondContact O-CG 3.25Å; C129-K133 PolarHBondContact O-N 2.78Å
130	S	88.7	Confident	85.4	Confident	51 Å²	51	82.5 Å²	82.5	36%	0.357	42%	0.415	S	S	.	.	H	α-helix	trans	-70.6	-49.8	179.1	-58.8	0	0	0	0	111.8	E126 E127 A128 Y132 K133 E134	E126-S130 VanDerWaalsContact O-CB 3.31Å; E126-S130 WeakPolarHBondContact O-CB 3.46Å; E126-S130 PolarHBondContact O-N 3.46Å; E126-S130 PolarHBondContact O-OG 3.15Å; E127-S130 PolarHBondContact O-N 3.01Å; A128-S130 VanDerWaalsContact C-N 3.35Å; S130-Y132 PolarHBondContact O-N 2.7Å; S130-K133 WeakPolarHBondContact O-CA 3.22Å; S130-K133 WeakPolarHBondContact O-CB 3.43Å; S130-K133 PolarHBondContact O-N 3.2Å; S130-E134 WeakPolarHBondContact O-CG 3.22Å; S130-E134 PolarHBondContact O-N 2.83Å
131	K	88.7	Confident	85.7	Confident	73 Å²	73	81 Å²	81	32%	0.317	40%	0.403	S	S	.	.	H	α-helix	trans	-59.9	-30.8	173.9	-66.9	170.4	-158.8	163.7	0	111.8	F115 I123 E127 Y135	F115-K131 HydrophobicContact CE1-CB 4.11Å; F115-K131 HydrophobicContact CZ-CB 4.15Å; F115-K131 WeakPolarHBondContact CZ-O 3.28Å; I123-K131 HydrophobicContact CD1-CD 3.81Å; E127-K131 WeakPolarHBondContact O-CB 3.39Å; E127-K131 VanDerWaalsContact O-CG 3.32Å; E127-K131 WeakPolarHBondContact O-CG 3.27Å; E127-K131 PolarHBondContact O-N 2.8Å; E127-K131 IonicContact OE2-NZ 3.96Å; E127-K131 PolarHBondContact OE2-NZ 2.9Å; K131-Y135 VanDerWaalsContact O-CB 3.23Å; K131-Y135 WeakPolarHBondContact O-CB 2.93Å; K131-Y135 PolarHBondContact O-N 3Å
132	Y	88.1	Confident	86.1	Confident	35 Å²	35	79.6 Å²	79.6	14%	0.137	39%	0.386	C	S	.	.	H	α-helix	trans	-75.6	-31.6	174	-173.2	-125.5	0	0	0	113.8	I110 F112 F115 A128 C129 S130 Y135 K136	I110-Y132 WeakPolarHBondContact O-CE2 3.45Å; I110-Y132 PolarHBondContact O-OH 3.12Å; F112-Y132 HydrophobicContact CB-CD1 4.15Å; F112-Y132 HydrophobicContact CB-CE1 3.67Å; F112-Y132 HydrophobicContact CB-CE2 4.33Å; F112-Y132 AromaticContact CD2-CD1 3.45Å; F112-Y132 HydrophobicContact CD2-CD1 3.45Å; F112-Y132 VanDerWaalsContact CD2-CD1 3.45Å; F112-Y132 HydrophobicContact CD2-CD2 4.02Å; F112-Y132 AromaticContact CD2-CE1 3.91Å; F112-Y132 HydrophobicContact CD2-CE1 3.91Å; F112-Y132 HydrophobicContact CD2-CE2 4.43Å; F112-Y132 AromaticContact CD2-CG 3.5Å; F112-Y132 HydrophobicContact CD2-CG 3.5Å; F112-Y132 VanDerWaalsContact CD2-CG 3.5Å; F112-Y132 HydrophobicContact CE2-CD1 4.15Å; F112-Y132 HydrophobicContact CE2-CG 4.09Å; F112-Y132 HydrophobicContact CG-CD1 4.09Å; F112-Y132 HydrophobicContact CG-CE1 4.12Å; F112-Y132 HydrophobicContact CG-CG 4.48Å; F112-Y132 PolarHBondContact N-OH 2.91Å; F112-Y132 VanDerWaalsContact N-OH 3.14Å; F115-Y132 HydrophobicContact CB-CD2 3.94Å; F115-Y132 HydrophobicContact CB-CE2 4.12Å; F115-Y132 AromaticContact CD1-CD2 3.67Å; F115-Y132 HydrophobicContact CD1-CD2 3.67Å; F115-Y132 HydrophobicContact CD1-CG 4.16Å; F115-Y132 HydrophobicContact CD2-CD2 4.23Å; F115-Y132 HydrophobicContact CE1-CD2 4.22Å; F115-Y132 AromaticContact CG-CD2 3.67Å; F115-Y132 HydrophobicContact CG-CD2 3.67Å; F115-Y132 HydrophobicContact CG-CE2 4.3Å; A128-Y132 VanDerWaalsContact O-CB 3.27Å; A128-Y132 WeakPolarHBondContact O-CB 3.34Å; A128-Y132 PolarHBondContact O-N 2.95Å; C129-Y132 PolarHBondContact O-N 3.23Å; S130-Y132 PolarHBondContact O-N 2.7Å; Y132-Y135 AromaticContact CD2-CD1 3.8Å; Y132-Y135 HydrophobicContact CD2-CD1 3.8Å; Y132-Y135 AromaticContact CE2-CD1 3.89Å; Y132-Y135 HydrophobicContact CE2-CD1 3.89Å; Y132-Y135 HydrophobicContact CE2-CE1 4.19Å; Y132-K136 HydrophobicContact CE1-CD 4.21Å; Y132-K136 WeakPolarHBondContact O-CB 3.21Å; Y132-K136 WeakPolarHBondContact O-CG 3.39Å; Y132-K136 PolarHBondContact O-N 3.12Å
133	K	87.8	Confident	86.3	Confident	130 Å²	130	74 Å²	74	57%	0.565	36%	0.355	S	S	*	.	H	α-helix	trans	-65.8	-50.1	168.6	-71.2	165.6	-175.2	173.1	0	110.5	C129 S130 Y135 K136 E137	C129-K133 WeakPolarHBondContact O-CG 3.25Å; C129-K133 PolarHBondContact O-N 2.78Å; S130-K133 WeakPolarHBondContact O-CA 3.22Å; S130-K133 WeakPolarHBondContact O-CB 3.43Å; S130-K133 PolarHBondContact O-N 3.2Å; K133-Y135 VanDerWaalsContact C-N 3.32Å; K133-Y135 PolarHBondContact O-N 2.98Å; K133-K136 WeakPolarHBondContact O-CB 3.19Å; K133-K136 PolarHBondContact O-N 3.35Å; K133-E137 WeakPolarHBondContact O-CG 3.44Å; K133-E137 PolarHBondContact O-N 3.2Å
134	E	87.9	Confident	86.4	Confident	128 Å²	128	72.4 Å²	72.4	60%	0.598	35%	0.347	S	S	*	.	H	α-helix	trans	-57.2	-43.6	175	-69.3	171.2	-173	0	0	111.9	S130 E137 G138	S130-E134 WeakPolarHBondContact O-CG 3.22Å; S130-E134 PolarHBondContact O-N 2.83Å; E134-E137 PolarHBondContact O-N 3.36Å; E134-G138 PolarHBondContact O-N 3.21Å
135	Y	87.8	Confident	86.5	Confident	35 Å²	35	71.8 Å²	71.8	14%	0.137	34%	0.34	C	S	.	.	H	α-helix	trans	-58.1	-49	172.7	164.2	-100.4	0	0	0	111.2	V109 I110 F115 K131 Y132 K133 Y139	V109-Y135 HydrophobicContact CG1-CE1 3.94Å; I110-Y135 HydrophobicContact CB-CE1 4.02Å; I110-Y135 WeakPolarHBondContact CB-OH 3.35Å; I110-Y135 HydrophobicContact CD1-CE2 4.13Å; I110-Y135 WeakPolarHBondContact CD1-OH 3.16Å; I110-Y135 VanDerWaalsContact CG1-OH 3.23Å; I110-Y135 WeakPolarHBondContact CG1-OH 3.34Å; I110-Y135 PolarHBondContact N-OH 3.49Å; F115-Y135 AromaticContact CD2-CD1 3.99Å; F115-Y135 HydrophobicContact CD2-CD1 3.99Å; F115-Y135 HydrophobicContact CD2-CD2 4.17Å; F115-Y135 AromaticContact CD2-CG 3.81Å; F115-Y135 HydrophobicContact CD2-CG 3.81Å; F115-Y135 VanDerWaalsContact CE2-CB 3.41Å; F115-Y135 HydrophobicContact CE2-CD1 4.13Å; F115-Y135 AromaticContact CE2-CD2 3.87Å; F115-Y135 HydrophobicContact CE2-CD2 3.87Å; F115-Y135 AromaticContact CE2-CG 3.5Å; F115-Y135 HydrophobicContact CE2-CG 3.5Å; F115-Y135 HydrophobicContact CZ-CG 4.29Å; K131-Y135 VanDerWaalsContact O-CB 3.23Å; K131-Y135 WeakPolarHBondContact O-CB 2.93Å; K131-Y135 PolarHBondContact O-N 3Å; Y132-Y135 AromaticContact CD2-CD1 3.8Å; Y132-Y135 HydrophobicContact CD2-CD1 3.8Å; Y132-Y135 AromaticContact CE2-CD1 3.89Å; Y132-Y135 HydrophobicContact CE2-CD1 3.89Å; Y132-Y135 HydrophobicContact CE2-CE1 4.19Å; K133-Y135 VanDerWaalsContact C-N 3.32Å; K133-Y135 PolarHBondContact O-N 2.98Å; Y135-Y139 HydrophobicContact CE2-CD2 4.48Å; Y135-Y139 WeakPolarHBondContact O-CA 3.16Å; Y135-Y139 WeakPolarHBondContact O-CB 3.25Å; Y135-Y139 PolarHBondContact O-N 3.45Å
136	K	85.5	Confident	86.6	Confident	96 Å²	96	70.4 Å²	70.4	42%	0.417	33%	0.333	S	S	.	.	H	α-helix	trans	-61.1	-45.4	178.1	-84	-179.8	165.7	-173.8	0	112.6	V109 Y132 K133 Y139 M140	V109-K136 HydrophobicContact CG1-CG 4.19Å; Y132-K136 HydrophobicContact CE1-CD 4.21Å; Y132-K136 WeakPolarHBondContact O-CB 3.21Å; Y132-K136 WeakPolarHBondContact O-CG 3.39Å; Y132-K136 PolarHBondContact O-N 3.12Å; K133-K136 WeakPolarHBondContact O-CB 3.19Å; K133-K136 PolarHBondContact O-N 3.35Å; K136-Y139 PolarHBondContact O-N 2.8Å; K136-M140 WeakPolarHBondContact O-CB 3.38Å; K136-M140 VanDerWaalsContact O-CG 3.31Å; K136-M140 WeakPolarHBondContact O-CG 3.18Å; K136-M140 PolarHBondContact O-N 2.75Å
137	E	84.6	Confident	86.6	Confident	104 Å²	104	63.4 Å²	63.4	49%	0.486	30%	0.3	S	S	.	.	H	α-helix	trans	-66.1	-49	179.2	-70.6	179.1	-176.9	0	0	111.1	K133 E134 Y139 M140 K141	K133-E137 WeakPolarHBondContact O-CG 3.44Å; K133-E137 PolarHBondContact O-N 3.2Å; E134-E137 PolarHBondContact O-N 3.36Å; E137-Y139 VanDerWaalsContact C-N 3.27Å; E137-Y139 PolarHBondContact O-N 3.49Å; E137-M140 PolarHBondContact O-N 3.03Å; E137-K141 WeakPolarHBondContact O-CB 3.44Å; E137-K141 PolarHBondContact O-N 2.88Å
138	G	86.1	Confident	86.5	Confident	26 Å²	26	59.2 Å²	59.2	27%	0.268	28%	0.281	S	S	.	.	H	α-helix	trans	-66.5	-25.6	175.6	0	0	0	0	0	113.8	E134 R142	E134-G138 PolarHBondContact O-N 3.21Å; G138-R142 WeakPolarHBondContact O-CB 3.33Å; G138-R142 WeakPolarHBondContact O-CG 3.45Å; G138-R142 PolarHBondContact O-N 2.82Å; G138-R142 PolarHBondContact O-NE 3.02Å
139	Y	85.8	Confident	86.5	Confident	7 Å²	7	62.8 Å²	62.8	3%	0.027	30%	0.297	C	S	.	.	H	α-helix	trans	-74.1	-43.7	170.9	167.9	-88.7	0	0	0	111	R106 P107 V109 Y135 K136 E137 H143	R106-Y139 PolarHBondContact NE-OH 3.03Å; R106-Y139 VanDerWaalsContact NE-OH 3.16Å; P107-Y139 PolarHBondContact O-OH 3.32Å; V109-Y139 HydrophobicContact CB-CE1 4.46Å; V109-Y139 HydrophobicContact CG2-CD1 4.23Å; V109-Y139 HydrophobicContact CG2-CE1 3.65Å; Y135-Y139 HydrophobicContact CE2-CD2 4.48Å; Y135-Y139 WeakPolarHBondContact O-CA 3.16Å; Y135-Y139 WeakPolarHBondContact O-CB 3.25Å; Y135-Y139 PolarHBondContact O-N 3.45Å; K136-Y139 PolarHBondContact O-N 2.8Å; E137-Y139 VanDerWaalsContact C-N 3.27Å; E137-Y139 PolarHBondContact O-N 3.49Å; Y139-H143 AromaticContact CD2-CE1 3.4Å; Y139-H143 VanDerWaalsContact CD2-CE1 3.4Å; Y139-H143 WeakPolarHBondContact CD2-CE1 3.49Å; Y139-H143 AromaticContact CD2-ND1 3.7Å; Y139-H143 AromaticContact CE2-CE1 2.99Å; Y139-H143 WeakPolarHBondContact CE2-CE1 3.31Å; Y139-H143 AromaticContact CE2-ND1 3.53Å; Y139-H143 AromaticContact CE2-NE2 3.68Å; Y139-H143 AromaticContact CZ-CE1 3.5Å; Y139-H143 AromaticContact CZ-ND1 3.7Å; Y139-H143 AromaticContact CZ-NE2 3.94Å; Y139-H143 PolarHBondContact O-N 2.86Å; Y139-H143 PolarHBondContact O-ND1 3.07Å
140	M	83.3	Confident	86.4	Confident	57 Å²	57	63.8 Å²	63.8	28%	0.281	31%	0.308	S	S	.	.	H	α-helix	trans	-60	-52.2	173.5	-76	-60.2	-62.8	0	0	111.2	R106 K136 E137 R142 H143 T144 L739	R106-M140 PolarHBondContact NH1-SD 3.14Å; R106-M140 VanDerWaalsContact NH1-SD 3.37Å; R106-M140 PolarHBondContact NH2-SD 3.29Å; K136-M140 WeakPolarHBondContact O-CB 3.38Å; K136-M140 VanDerWaalsContact O-CG 3.31Å; K136-M140 WeakPolarHBondContact O-CG 3.18Å; K136-M140 PolarHBondContact O-N 2.75Å; E137-M140 PolarHBondContact O-N 3.03Å; M140-R142 PolarHBondContact O-N 3.44Å; M140-H143 PolarHBondContact O-N 2.81Å; M140-T144 PolarHBondContact O-N 3.07Å; M140-T144 PolarHBondContact O-OG1 2.77Å; M140-L739 HydrophobicContact CB-CD2 4.32Å
141	K	85.8	Confident	86.1	Confident	78 Å²	78	62.7 Å²	62.7	34%	0.339	30%	0.297	S	S	.	.	H	α-helix	trans	-54.4	-49.8	177.8	173.4	170.2	177.5	173	0	112.4	E137 H143 T144 E145	E137-K141 WeakPolarHBondContact O-CB 3.44Å; E137-K141 PolarHBondContact O-N 2.88Å; K141-H143 PolarHBondContact O-N 3.16Å; K141-T144 WeakPolarHBondContact CA-OG1 3.24Å; K141-T144 PolarHBondContact O-N 3.09Å; K141-T144 PolarHBondContact O-OG1 3.2Å; K141-E145 VanDerWaalsContact O-CB 3.26Å; K141-E145 WeakPolarHBondContact O-CB 3.21Å; K141-E145 PolarHBondContact O-N 3.24Å
142	R	85.7	Confident	85.9	Confident	138 Å²	138	61.6 Å²	61.6	52%	0.521	29%	0.293	S	S	.	.	H	α-helix	trans	-59.8	-43.1	-180	-86.5	176.1	-74.2	147.9	-7	112.6	G138 M140 E145 E146	G138-R142 WeakPolarHBondContact O-CB 3.33Å; G138-R142 WeakPolarHBondContact O-CG 3.45Å; G138-R142 PolarHBondContact O-N 2.82Å; G138-R142 PolarHBondContact O-NE 3.02Å; M140-R142 PolarHBondContact O-N 3.44Å; R142-E145 PolarHBondContact O-N 3.27Å; R142-E146 WeakPolarHBondContact O-CB 2.96Å; R142-E146 PolarHBondContact O-N 3.35Å
143	H	83.7	Confident	85.7	Confident	33 Å²	33	65.4 Å²	65.4	15%	0.153	32%	0.315	C	S	.	.	H	α-helix	trans	-73.7	-31.3	179.5	-70.1	77.4	0	0	0	113	Y139 M140 K141 F147	Y139-H143 AromaticContact CD2-CE1 3.4Å; Y139-H143 VanDerWaalsContact CD2-CE1 3.4Å; Y139-H143 WeakPolarHBondContact CD2-CE1 3.49Å; Y139-H143 AromaticContact CD2-ND1 3.7Å; Y139-H143 AromaticContact CE2-CE1 2.99Å; Y139-H143 WeakPolarHBondContact CE2-CE1 3.31Å; Y139-H143 AromaticContact CE2-ND1 3.53Å; Y139-H143 AromaticContact CE2-NE2 3.68Å; Y139-H143 AromaticContact CZ-CE1 3.5Å; Y139-H143 AromaticContact CZ-ND1 3.7Å; Y139-H143 AromaticContact CZ-NE2 3.94Å; Y139-H143 PolarHBondContact O-N 2.86Å; Y139-H143 PolarHBondContact O-ND1 3.07Å; M140-H143 PolarHBondContact O-N 2.81Å; K141-H143 PolarHBondContact O-N 3.16Å; H143-F147 WeakPolarHBondContact O-CB 3.35Å; H143-F147 PolarHBondContact O-N 2.99Å
144	T	85.6	Confident	85.5	Confident	7 Å²	7	61.1 Å²	61.1	4%	0.043	30%	0.297	C	S	.	.	H	α-helix	trans	-70	-36	172.7	48.1	0	0	0	0	112	M140 K141 F148	M140-T144 PolarHBondContact O-N 3.07Å; M140-T144 PolarHBondContact O-OG1 2.77Å; K141-T144 WeakPolarHBondContact CA-OG1 3.24Å; K141-T144 PolarHBondContact O-N 3.09Å; K141-T144 PolarHBondContact O-OG1 3.2Å; T144-F148 VanDerWaalsContact O-CB 3.27Å; T144-F148 WeakPolarHBondContact O-CB 3.42Å; T144-F148 PolarHBondContact O-N 3.01Å; T144-F148 VanDerWaalsContact O-N 3.11Å
145	E	87.9	Confident	85.3	Confident	55 Å²	55	57.2 Å²	57.2	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-70.1	-50.2	175.9	-172.8	155	-132	0	0	110.9	K141 R142 F147 F148 E149 R742	K141-E145 VanDerWaalsContact O-CB 3.26Å; K141-E145 WeakPolarHBondContact O-CB 3.21Å; K141-E145 PolarHBondContact O-N 3.24Å; R142-E145 PolarHBondContact O-N 3.27Å; E145-F147 PolarHBondContact O-N 3.18Å; E145-F148 PolarHBondContact O-N 3.31Å; E145-E149 WeakPolarHBondContact O-CB 3.28Å; E145-E149 VanDerWaalsContact O-CG 3.3Å; E145-E149 WeakPolarHBondContact O-CG 3.33Å; E145-E149 PolarHBondContact O-N 3.19Å; E145-R742 IonicContact OE1-CZ 3.88Å; E145-R742 IonicContact OE1-NE 3.34Å; E145-R742 PolarHBondContact OE1-NE 2.66Å; E145-R742 IonicContact OE1-NH2 3.54Å; E145-R742 PolarHBondContact OE1-NH2 2.86Å
146	E	86.9	Confident	85.1	Confident	129 Å²	129	56.4 Å²	56.4	60%	0.603	28%	0.276	S	S	*	.	H	α-helix	trans	-58.9	-46.3	175.7	-179.9	171.6	-147.9	0	0	112.7	R142 F148 E149 A150	R142-E146 WeakPolarHBondContact O-CB 2.96Å; R142-E146 PolarHBondContact O-N 3.35Å; E146-F148 PolarHBondContact O-N 3.45Å; E146-E149 PolarHBondContact O-N 3.18Å; E146-A150 PolarHBondContact O-N 3.5Å
147	F	86.1	Confident	85.1	Confident	14 Å²	14	51.8 Å²	51.8	6%	0.061	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-44.5	176.2	-177.9	-90.3	0	0	0	111.9	H143 E145 H151 W156 F465 Y811 P818 L820	H143-F147 WeakPolarHBondContact O-CB 3.35Å; H143-F147 PolarHBondContact O-N 2.99Å; E145-F147 PolarHBondContact O-N 3.18Å; F147-H151 AromaticContact CD2-CE1 3.55Å; F147-H151 AromaticContact CD2-ND1 3.61Å; F147-H151 AromaticContact CE1-ND1 3.89Å; F147-H151 AromaticContact CE2-CE1 3.24Å; F147-H151 WeakPolarHBondContact CE2-CE1 3.43Å; F147-H151 AromaticContact CE2-ND1 3.45Å; F147-H151 WeakPolarHBondContact CE2-ND1 3.25Å; F147-H151 AromaticContact CG-ND1 3.9Å; F147-H151 AromaticContact CZ-CE1 3.75Å; F147-H151 AromaticContact CZ-ND1 3.59Å; F147-H151 PolarHBondContact O-N 2.88Å; F147-H151 VanDerWaalsContact O-N 3.15Å; F147-H151 PolarHBondContact O-ND1 3.22Å; F147-W156 HydrophobicContact CE1-CH2 4.46Å; F147-W156 HydrophobicContact CZ-CH2 4.24Å; F147-W156 HydrophobicContact CZ-CZ2 4.48Å; F147-F465 HydrophobicContact CE2-CE1 4.21Å; F147-F465 AromaticContact CE2-CE2 3.77Å; F147-F465 HydrophobicContact CE2-CE2 3.77Å; F147-F465 AromaticContact CE2-CZ 3.41Å; F147-F465 HydrophobicContact CE2-CZ 3.41Å; F147-F465 VanDerWaalsContact CE2-CZ 3.41Å; F147-F465 AromaticContact CZ-CE1 3.85Å; F147-F465 HydrophobicContact CZ-CE1 3.85Å; F147-F465 HydrophobicContact CZ-CE2 4.22Å; F147-F465 AromaticContact CZ-CZ 3.52Å; F147-F465 HydrophobicContact CZ-CZ 3.52Å; F147-Y811 HydrophobicContact CD1-CE2 4.36Å; F147-Y811 VanDerWaalsContact CD1-OH 3.29Å; F147-Y811 WeakPolarHBondContact CD1-OH 3.1Å; F147-Y811 HydrophobicContact CE1-CE2 4.49Å; F147-P818 HydrophobicContact CE1-CB 4.14Å; F147-P818 VanDerWaalsContact CE1-O 3.3Å; F147-P818 WeakPolarHBondContact CE1-O 3.38Å; F147-P818 HydrophobicContact CZ-CB 4.22Å; F147-L820 HydrophobicContact CD2-CG 4.29Å; F147-L820 HydrophobicContact CE2-CG 4.32Å
148	F	87.3	Confident	85.1	Confident	1 Å²	1	50.2 Å²	50.2	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-42.5	175.8	177.3	-95.9	0	0	0	111.2	T144 E145 E146 A150 H151 K152 L157 F807 Y808 Y811	T144-F148 VanDerWaalsContact O-CB 3.27Å; T144-F148 WeakPolarHBondContact O-CB 3.42Å; T144-F148 PolarHBondContact O-N 3.01Å; T144-F148 VanDerWaalsContact O-N 3.11Å; E145-F148 PolarHBondContact O-N 3.31Å; E146-F148 PolarHBondContact O-N 3.45Å; F148-A150 VanDerWaalsContact C-N 3.35Å; F148-A150 PolarHBondContact O-N 2.75Å; F148-H151 PolarHBondContact O-N 2.8Å; F148-K152 HydrophobicContact CD1-CB 4.4Å; F148-K152 HydrophobicContact CE1-CB 4.14Å; F148-K152 HydrophobicContact CE1-CD 4.32Å; F148-K152 HydrophobicContact CZ-CB 4.26Å; F148-K152 WeakPolarHBondContact O-CA 3.27Å; F148-K152 WeakPolarHBondContact O-CB 3.25Å; F148-K152 PolarHBondContact O-N 3.06Å; F148-L157 HydrophobicContact CD2-CD2 4.01Å; F148-L157 HydrophobicContact CE2-CD2 4.39Å; F148-F807 AromaticContact CE2-CD1 3.95Å; F148-F807 HydrophobicContact CE2-CD1 3.95Å; F148-F807 AromaticContact CE2-CD2 3.85Å; F148-F807 HydrophobicContact CE2-CD2 3.85Å; F148-F807 AromaticContact CE2-CE1 3.99Å; F148-F807 HydrophobicContact CE2-CE1 3.99Å; F148-F807 AromaticContact CE2-CE2 3.9Å; F148-F807 HydrophobicContact CE2-CE2 3.9Å; F148-F807 AromaticContact CE2-CG 3.88Å; F148-F807 HydrophobicContact CE2-CG 3.88Å; F148-F807 AromaticContact CE2-CZ 3.97Å; F148-F807 HydrophobicContact CE2-CZ 3.97Å; F148-F807 HydrophobicContact CZ-CB 4.3Å; F148-F807 AromaticContact CZ-CD1 3.57Å; F148-F807 HydrophobicContact CZ-CD1 3.57Å; F148-F807 HydrophobicContact CZ-CD2 4.23Å; F148-F807 AromaticContact CZ-CE1 3.87Å; F148-F807 HydrophobicContact CZ-CE1 3.87Å; F148-F807 HydrophobicContact CZ-CE2 4.49Å; F148-F807 AromaticContact CZ-CG 3.76Å; F148-F807 HydrophobicContact CZ-CG 3.76Å; F148-F807 HydrophobicContact CZ-CZ 4.33Å; F148-Y808 HydrophobicContact CB-CD2 3.94Å; F148-Y808 HydrophobicContact CB-CE2 3.91Å; F148-Y808 AromaticContact CD1-CD2 3.53Å; F148-Y808 HydrophobicContact CD1-CD2 3.53Å; F148-Y808 HydrophobicContact CD1-CE2 4.21Å; F148-Y808 HydrophobicContact CD1-CG 4.37Å; F148-Y808 AromaticContact CD2-CD2 3.83Å; F148-Y808 HydrophobicContact CD2-CD2 3.83Å; F148-Y808 AromaticContact CE1-CD2 3.9Å; F148-Y808 HydrophobicContact CE1-CD2 3.9Å; F148-Y808 HydrophobicContact CE1-CG 4.33Å; F148-Y808 HydrophobicContact CE2-CD2 4.17Å; F148-Y808 AromaticContact CG-CD2 3.5Å; F148-Y808 HydrophobicContact CG-CD2 3.5Å; F148-Y808 VanDerWaalsContact CG-CD2 3.5Å; F148-Y808 HydrophobicContact CG-CE2 4.01Å; F148-Y808 HydrophobicContact CZ-CD2 4.2Å; F148-Y811 HydrophobicContact CB-CD1 4.19Å; F148-Y811 HydrophobicContact CB-CE1 3.98Å; F148-Y811 AromaticContact CD2-CD1 3.86Å; F148-Y811 HydrophobicContact CD2-CD1 3.86Å; F148-Y811 HydrophobicContact CD2-CE1 4.42Å; F148-Y811 HydrophobicContact CD2-CG 4.06Å; F148-Y811 HydrophobicContact CG-CD1 4.37Å
149	E	86.3	Confident	84.9	Confident	79 Å²	79	51.5 Å²	51.5	37%	0.369	25%	0.246	S	C	.	.	H	α-helix	trans	-73	-24.9	-177.4	-66.6	-145.8	178.3	0	0	114.3	E145 E146 K152 R742	E145-E149 WeakPolarHBondContact O-CB 3.28Å; E145-E149 VanDerWaalsContact O-CG 3.3Å; E145-E149 WeakPolarHBondContact O-CG 3.33Å; E145-E149 PolarHBondContact O-N 3.19Å; E146-E149 PolarHBondContact O-N 3.18Å; E149-K152 HydrophobicContact CB-CD 4.46Å; E149-K152 HydrophobicContact CG-CD 4.39Å; E149-K152 WeakPolarHBondContact O-CE 3.32Å; E149-K152 IonicContact OE1-NZ 3.72Å; E149-K152 IonicContact OE2-NZ 2.78Å; E149-K152 PolarHBondContact OE2-NZ 3Å; E149-R742 IonicContact OE1-CZ 3.66Å; E149-R742 IonicContact OE1-NH1 3.76Å; E149-R742 IonicContact OE1-NH2 3.58Å; E149-R742 PolarHBondContact OE1-NH2 3.21Å
150	A	84.9	Confident	84.8	Confident	64 Å²	64	53.7 Å²	53.7	53%	0.529	25%	0.254	S	S	.	.	H	α-helix	trans	-67.9	-50	165.6	0	0	0	0	0	111.8	E146 F148	E146-A150 PolarHBondContact O-N 3.5Å; F148-A150 VanDerWaalsContact C-N 3.35Å; F148-A150 PolarHBondContact O-N 2.75Å
151	H	82.4	Confident	84.9	Confident	27 Å²	27	51.1 Å²	51.1	13%	0.125	24%	0.241	C	C	.	.	H	α-helix	trans	-95.7	-6.8	-168.6	-56.4	90.5	0	0	0	115.1	F147 F148 N153 E154 W156 L157 F465	F147-H151 AromaticContact CD2-CE1 3.55Å; F147-H151 AromaticContact CD2-ND1 3.61Å; F147-H151 AromaticContact CE1-ND1 3.89Å; F147-H151 AromaticContact CE2-CE1 3.24Å; F147-H151 WeakPolarHBondContact CE2-CE1 3.43Å; F147-H151 AromaticContact CE2-ND1 3.45Å; F147-H151 WeakPolarHBondContact CE2-ND1 3.25Å; F147-H151 AromaticContact CG-ND1 3.9Å; F147-H151 AromaticContact CZ-CE1 3.75Å; F147-H151 AromaticContact CZ-ND1 3.59Å; F147-H151 PolarHBondContact O-N 2.88Å; F147-H151 VanDerWaalsContact O-N 3.15Å; F147-H151 PolarHBondContact O-ND1 3.22Å; F148-H151 PolarHBondContact O-N 2.8Å; H151-N153 PolarHBondContact O-N 3.09Å; H151-E154 IonicContact CD2-OE2 3.93Å; H151-E154 PolarHBondContact CD2-OE2 3.4Å; H151-E154 WeakPolarHBondContact O-CB 3.41Å; H151-E154 PolarHBondContact O-N 3.23Å; H151-W156 HydrophobicContact CB-CZ2 4.19Å; H151-L157 HydrophobicContact CB-CD2 3.97Å; H151-F465 AromaticContact NE2-CD2 3.99Å
152	K	85.3	Confident	84.9	Confident	51 Å²	51	48.2 Å²	48.2	22%	0.222	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24	178.1	62.7	-176.7	169.2	-166.2	0	114.2	F148 E149 R158 F807	F148-K152 HydrophobicContact CD1-CB 4.4Å; F148-K152 HydrophobicContact CE1-CB 4.14Å; F148-K152 HydrophobicContact CE1-CD 4.32Å; F148-K152 HydrophobicContact CZ-CB 4.26Å; F148-K152 WeakPolarHBondContact O-CA 3.27Å; F148-K152 WeakPolarHBondContact O-CB 3.25Å; F148-K152 PolarHBondContact O-N 3.06Å; E149-K152 HydrophobicContact CB-CD 4.46Å; E149-K152 HydrophobicContact CG-CD 4.39Å; E149-K152 WeakPolarHBondContact O-CE 3.32Å; E149-K152 IonicContact OE1-NZ 3.72Å; E149-K152 IonicContact OE2-NZ 2.78Å; E149-K152 PolarHBondContact OE2-NZ 3Å; K152-R158 PolarHBondContact O-NE 3.35Å; K152-R158 PolarHBondContact O-NH1 3.45Å; K152-R158 PolarHBondContact O-NH2 2.97Å; K152-F807 HydrophobicContact CB-CE1 3.98Å
153	N	84.2	Confident	84.9	Confident	115 Å²	115	42.6 Å²	42.6	62%	0.615	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.9	178.1	-76	-37.2	0	0	0	113.7	H151 R158	H151-N153 PolarHBondContact O-N 3.09Å; N153-R158 PolarHBondContact O-NH1 3.03Å
154	E	83.2	Confident	84.9	Confident	39 Å²	39	44.1 Å²	44.1	18%	0.182	22%	0.219	C	C	.	.	S	Bend	trans	-89.3	148.2	-177.6	-53.8	-165.7	146	0	0	112.1	H151 W156 R158 P434	H151-E154 IonicContact CD2-OE2 3.93Å; H151-E154 PolarHBondContact CD2-OE2 3.4Å; H151-E154 WeakPolarHBondContact O-CB 3.41Å; H151-E154 PolarHBondContact O-N 3.23Å; E154-W156 PolarHBondContact OE2-NE1 3.09Å; E154-R158 PolarHBondContact O-N 3.14Å; E154-P434 WeakPolarHBondContact OE2-CB 3.37Å
155	E	83.4	Confident	84.9	Confident	47 Å²	47	46.8 Å²	46.8	22%	0.22	23%	0.231	C	C	.	.	H	α-helix	trans	-65	-46	-172	-175.9	-178.3	-113.6	0	0	112.6	L157 R158 L159 K437 E438	E155-L157 VanDerWaalsContact C-N 3.32Å; E155-L157 PolarHBondContact O-N 3.09Å; E155-R158 PolarHBondContact O-N 3.11Å; E155-R158 VanDerWaalsContact O-N 3.15Å; E155-L159 HydrophobicContact CG-CD1 3.79Å; E155-L159 HydrophobicContact CG-CG 4.15Å; E155-L159 WeakPolarHBondContact O-CG 3.4Å; E155-L159 PolarHBondContact O-N 2.89Å; E155-K437 WeakPolarHBondContact OE1-CB 3.44Å; E155-K437 VanDerWaalsContact OE2-CA 3.25Å; E155-K437 WeakPolarHBondContact OE2-CA 3.46Å; E155-E438 PolarHBondContact OE1-N 3.12Å; E155-E438 PolarHBondContact OE2-N 3.33Å
156	W	82.3	Confident	84.6	Confident	17 Å²	17	46 Å²	46	6%	0.064	23%	0.228	C	C	.	.	H	α-helix	trans	-58.6	-38.9	-176.3	71.1	-78.3	0	0	0	113.7	F147 H151 E154 L159 R160 P459 F465 R467 P818	F147-W156 HydrophobicContact CE1-CH2 4.46Å; F147-W156 HydrophobicContact CZ-CH2 4.24Å; F147-W156 HydrophobicContact CZ-CZ2 4.48Å; H151-W156 HydrophobicContact CB-CZ2 4.19Å; E154-W156 PolarHBondContact OE2-NE1 3.09Å; W156-L159 PolarHBondContact O-N 3.27Å; W156-R160 PolarHBondContact O-N 3.07Å; W156-P459 HydrophobicContact CB-CG 4.26Å; W156-P459 HydrophobicContact CD2-CG 3.33Å; W156-P459 HydrophobicContact CE3-CG 3.42Å; W156-P459 VanDerWaalsContact CE3-CG 3.42Å; W156-P459 HydrophobicContact CG-CG 3.71Å; W156-P459 HydrophobicContact CH2-CG 4.29Å; W156-P459 HydrophobicContact CZ2-CG 4.24Å; W156-P459 HydrophobicContact CZ3-CG 3.89Å; W156-F465 HydrophobicContact CH2-CD1 4.02Å; W156-F465 HydrophobicContact CH2-CE1 4Å; W156-F465 AromaticContact CZ2-CD1 4Å; W156-F465 HydrophobicContact CZ2-CD1 4Å; W156-F465 HydrophobicContact CZ2-CE1 4.3Å; W156-R467 VanDerWaalsContact CD1-NH2 3.28Å; W156-P818 HydrophobicContact CH2-CB 3.7Å; W156-P818 HydrophobicContact CH2-CG 3.99Å; W156-P818 HydrophobicContact CZ3-CB 3.86Å; W156-P818 HydrophobicContact CZ3-CG 3.63Å
157	L	86.2	Confident	84.4	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-71.6	-39.9	179.4	-165.1	74.1	0	0	0	110.5	F148 H151 E155 R160 Y161 F807 Y811	F148-L157 HydrophobicContact CD2-CD2 4.01Å; F148-L157 HydrophobicContact CE2-CD2 4.39Å; H151-L157 HydrophobicContact CB-CD2 3.97Å; E155-L157 VanDerWaalsContact C-N 3.32Å; E155-L157 PolarHBondContact O-N 3.09Å; L157-R160 PolarHBondContact O-N 3.4Å; L157-Y161 HydrophobicContact CD1-CD2 3.72Å; L157-Y161 HydrophobicContact CD1-CE2 3.76Å; L157-Y161 HydrophobicContact CG-CD2 4.18Å; L157-Y161 PolarHBondContact O-N 2.8Å; L157-F807 HydrophobicContact CB-CZ 4.45Å; L157-F807 HydrophobicContact CD2-CE2 4.41Å; L157-F807 HydrophobicContact CD2-CZ 4.1Å; L157-F807 HydrophobicContact CG-CE2 4.13Å; L157-F807 HydrophobicContact CG-CZ 4.11Å; L157-F807 WeakPolarHBondContact O-CE2 3.2Å; L157-Y811 HydrophobicContact CD1-CD2 4.39Å
158	R	84.9	Confident	84.5	Confident	70 Å²	70	50 Å²	50	26%	0.264	25%	0.25	S	S	.	.	H	α-helix	trans	-61.9	-45.8	172.1	-70.2	-164.5	-177.8	93	-3.8	111.6	K152 N153 E154 E155 R160 Y161 H162 F807	K152-R158 PolarHBondContact O-NE 3.35Å; K152-R158 PolarHBondContact O-NH1 3.45Å; K152-R158 PolarHBondContact O-NH2 2.97Å; N153-R158 PolarHBondContact O-NH1 3.03Å; E154-R158 PolarHBondContact O-N 3.14Å; E155-R158 PolarHBondContact O-N 3.11Å; E155-R158 VanDerWaalsContact O-N 3.15Å; R158-R160 PolarHBondContact O-N 3.33Å; R158-R160 VanDerWaalsContact O-N 3.12Å; R158-Y161 PolarHBondContact O-N 2.88Å; R158-H162 HydrophobicContact CB-CB 3.99Å; R158-H162 HydrophobicContact CG-CB 4.36Å; R158-H162 WeakPolarHBondContact O-CB 3.25Å; R158-H162 PolarHBondContact O-N 2.91Å; R158-F807 HydrophobicContact CB-CZ 4.45Å; R158-F807 HydrophobicContact CG-CE1 3.99Å; R158-F807 HydrophobicContact CG-CZ 3.77Å
159	L	82.9	Confident	84.3	Confident	54 Å²	54	54.7 Å²	54.7	28%	0.283	27%	0.268	S	S	.	.	H	α-helix	trans	-65	-9.3	176.3	-68.5	178.6	0	0	0	114.1	E155 W156 H165 R169	E155-L159 HydrophobicContact CG-CD1 3.79Å; E155-L159 HydrophobicContact CG-CG 4.15Å; E155-L159 WeakPolarHBondContact O-CG 3.4Å; E155-L159 PolarHBondContact O-N 2.89Å; W156-L159 PolarHBondContact O-N 3.27Å; L159-H165 HydrophobicContact CD2-CB 4.08Å; L159-R169 WeakPolarHBondContact O-CD 3.47Å; L159-R169 PolarHBondContact O-NH1 2.92Å
160	R	81.7	Confident	84.2	Confident	52 Å²	52	57.4 Å²	57.4	20%	0.196	28%	0.279	C	S	.	.	H	α-helix	trans	-105	-34.3	173.3	-172.8	166.3	166.7	175.6	-10.2	113.9	W156 L157 R158 M166 E458 D814 R816	W156-R160 PolarHBondContact O-N 3.07Å; L157-R160 PolarHBondContact O-N 3.4Å; R158-R160 PolarHBondContact O-N 3.33Å; R158-R160 VanDerWaalsContact O-N 3.12Å; R160-M166 WeakPolarHBondContact O-CG 3.32Å; R160-E458 WeakPolarHBondContact CD-OE1 3.32Å; R160-E458 IonicContact CZ-OE1 3.48Å; R160-E458 IonicContact NE-OE1 3.52Å; R160-E458 IonicContact NH1-OE1 2.72Å; R160-E458 PolarHBondContact NH1-OE1 2.99Å; R160-E458 IonicContact NH1-OE2 3.53Å; R160-E458 PolarHBondContact NH1-OE2 3.24Å; R160-D814 IonicContact CZ-OD2 2.87Å; R160-D814 IonicContact NE-OD2 3.58Å; R160-D814 IonicContact NH2-OD1 2.59Å; R160-D814 IonicContact NH2-OD2 3.7Å; R160-D814 PolarHBondContact NH2-OD2 2.92Å; R160-R816 PolarHBondContact NH2-O 3.48Å
161	Y	85.8	Confident	84.3	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-131.3	-10.3	-171.9	-53.6	-74.6	0	0	0	116.9	L157 R158 M166 F807 N810 Y811 D814 P818	L157-Y161 HydrophobicContact CD1-CD2 3.72Å; L157-Y161 HydrophobicContact CD1-CE2 3.76Å; L157-Y161 HydrophobicContact CG-CD2 4.18Å; L157-Y161 PolarHBondContact O-N 2.8Å; R158-Y161 PolarHBondContact O-N 2.88Å; Y161-M166 VanDerWaalsContact O-SD 3.34Å; Y161-F807 VanDerWaalsContact C-CD2 3.5Å; Y161-N810 WeakPolarHBondContact CD1-O 3.49Å; Y161-N810 WeakPolarHBondContact O-CB 3.32Å; Y161-N810 PolarHBondContact O-ND2 3.48Å; Y161-N810 VanDerWaalsContact O-ND2 3.13Å; Y161-Y811 HydrophobicContact CD2-CD2 4.09Å; Y161-Y811 AromaticContact CE2-CD2 3.73Å; Y161-Y811 HydrophobicContact CE2-CD2 3.73Å; Y161-D814 HydrophobicContact CE1-CB 3.77Å; Y161-D814 WeakPolarHBondContact CE1-OD2 3.4Å; Y161-D814 PolarHBondContact OH-OD2 2.92Å; Y161-P818 WeakPolarHBondContact OH-CD 3.43Å
162	H	86.9	Confident	84.5	Confident	17 Å²	17	58.9 Å²	58.9	8%	0.079	30%	0.295	C	S	.	.			trans	-72.2	129	177.1	-172.5	-100.5	0	0	0	109.6	R158 D164 H165 M166 D803 F807	R158-H162 HydrophobicContact CB-CB 3.99Å; R158-H162 HydrophobicContact CG-CB 4.36Å; R158-H162 WeakPolarHBondContact O-CB 3.25Å; R158-H162 PolarHBondContact O-N 2.91Å; H162-D164 IonicContact CE1-OD2 3.41Å; H162-D164 PolarHBondContact CE1-OD2 2.86Å; H162-D164 IonicContact ND1-OD2 2.71Å; H162-D164 PolarHBondContact O-N 3.45Å; H162-H165 PolarHBondContact O-N 2.98Å; H162-M166 WeakPolarHBondContact O-CG 3.43Å; H162-M166 PolarHBondContact O-N 3.35Å; H162-D803 IonicContact CD2-OD1 2.9Å; H162-D803 IonicContact NE2-OD1 2.84Å; H162-F807 HydrophobicContact CB-CD2 4.23Å; H162-F807 HydrophobicContact CB-CE2 4.43Å; H162-F807 HydrophobicContact CB-CG 4.44Å
163	P	85.5	Confident	84.5	Confident	19 Å²	19	60.3 Å²	60.3	12%	0.123	31%	0.305	C	S	.	.	H	α-helix	trans	-54.8	-34.7	-168.5	18	-33.1	0	0	0	114.6	N167 K802 I806	P163-N167 PolarHBondContact O-ND2 2.69Å; P163-K802 HydrophobicContact CG-CB 3.91Å; P163-K802 HydrophobicContact CG-CD 4.16Å; P163-K802 HydrophobicContact CG-CG 3.88Å; P163-I806 HydrophobicContact CB-CG2 3.96Å; P163-I806 HydrophobicContact CG-CB 4.34Å; P163-I806 HydrophobicContact CG-CG2 3.87Å
164	D	83.9	Confident	84.6	Confident	65 Å²	65	56.4 Å²	56.4	35%	0.348	29%	0.287	S	S	.	.	H	α-helix	trans	-66.7	-52.5	-178.1	-59.8	-13.1	0	0	0	110.5	H162 E168 K802	H162-D164 IonicContact CE1-OD2 3.41Å; H162-D164 PolarHBondContact CE1-OD2 2.86Å; H162-D164 IonicContact ND1-OD2 2.71Å; H162-D164 PolarHBondContact O-N 3.45Å; D164-E168 WeakPolarHBondContact O-CG 3.41Å; D164-E168 PolarHBondContact O-N 3.11Å; D164-K802 WeakPolarHBondContact OD1-CE 3.37Å; D164-K802 IonicContact OD1-NZ 2.94Å; D164-K802 PolarHBondContact OD1-NZ 3.12Å; D164-K802 IonicContact OD2-NZ 3.54Å; D164-K802 PolarHBondContact OD2-NZ 3.19Å
165	H	84	Confident	84.9	Confident	64 Å²	64	57.3 Å²	57.3	30%	0.296	30%	0.301	S	S	.	.	H	α-helix	trans	-75.3	-26.1	179.6	-57.8	-43.1	0	0	0	114.1	L159 H162 N167 E168 R169	L159-H165 HydrophobicContact CD2-CB 4.08Å; H162-H165 PolarHBondContact O-N 2.98Å; H165-N167 VanDerWaalsContact C-N 3.28Å; H165-N167 PolarHBondContact O-N 3.26Å; H165-E168 WeakPolarHBondContact CA-OE2 3.2Å; H165-E168 IonicContact CE1-OE2 3.43Å; H165-E168 IonicContact CG-OE2 2.65Å; H165-E168 IonicContact ND1-OE2 2.68Å; H165-E168 PolarHBondContact ND1-OE2 3.01Å; H165-R169 WeakPolarHBondContact O-CB 3.37Å; H165-R169 PolarHBondContact O-N 2.81Å
166	M	81.9	Confident	85.1	Confident	38 Å²	38	56.5 Å²	56.5	19%	0.187	30%	0.302	C	S	.	.	H	α-helix	trans	-59.6	-41.2	175.1	-79.5	-168.2	94.6	0	0	111.9	R160 Y161 H162 K170 N810	R160-M166 WeakPolarHBondContact O-CG 3.32Å; Y161-M166 VanDerWaalsContact O-SD 3.34Å; H162-M166 WeakPolarHBondContact O-CG 3.43Å; H162-M166 PolarHBondContact O-N 3.35Å; M166-K170 WeakPolarHBondContact O-CB 3.48Å; M166-K170 VanDerWaalsContact O-CG 3.28Å; M166-K170 WeakPolarHBondContact O-CG 3.45Å; M166-K170 PolarHBondContact O-N 2.75Å; M166-N810 HydrophobicContact SD-CB 3.83Å; M166-N810 PolarHBondContact SD-ND2 3.07Å
167	N	84.2	Confident	85.5	Confident	109 Å²	109	55.9 Å²	55.9	58%	0.583	30%	0.301	S	S	*	.	H	α-helix	trans	-74.7	-44.3	-178.1	-68.1	-21.5	0	0	0	110.8	P163 H165 R169 K170 A171	P163-N167 PolarHBondContact O-ND2 2.69Å; H165-N167 VanDerWaalsContact C-N 3.28Å; H165-N167 PolarHBondContact O-N 3.26Å; N167-R169 VanDerWaalsContact C-N 3.35Å; N167-R169 PolarHBondContact O-N 2.99Å; N167-K170 PolarHBondContact O-N 2.94Å; N167-A171 WeakPolarHBondContact O-CB 3.4Å; N167-A171 PolarHBondContact O-N 2.88Å
168	E	86.8	Confident	85.7	Confident	117 Å²	117	59 Å²	59	55%	0.547	31%	0.314	S	S	.	.	H	α-helix	trans	-54.3	-48.8	172.2	-66.1	169.4	160.3	0	0	111.5	D164 H165 A171 A172	D164-E168 WeakPolarHBondContact O-CG 3.41Å; D164-E168 PolarHBondContact O-N 3.11Å; H165-E168 WeakPolarHBondContact CA-OE2 3.2Å; H165-E168 IonicContact CE1-OE2 3.43Å; H165-E168 IonicContact CG-OE2 2.65Å; H165-E168 IonicContact ND1-OE2 2.68Å; H165-E168 PolarHBondContact ND1-OE2 3.01Å; E168-A171 PolarHBondContact O-N 3.2Å; E168-A172 WeakPolarHBondContact O-CB 3.28Å; E168-A172 PolarHBondContact O-N 2.96Å
169	R	83	Confident	86	Confident	101 Å²	101	59.7 Å²	59.7	38%	0.381	32%	0.32	S	S	.	.	H	α-helix	trans	-67.7	-38.6	-179.5	-171.7	173.4	-178.8	-178.7	0.1	112.9	L159 H165 N167 L173	L159-R169 WeakPolarHBondContact O-CD 3.47Å; L159-R169 PolarHBondContact O-NH1 2.92Å; H165-R169 WeakPolarHBondContact O-CB 3.37Å; H165-R169 PolarHBondContact O-N 2.81Å; N167-R169 VanDerWaalsContact C-N 3.35Å; N167-R169 PolarHBondContact O-N 2.99Å; R169-L173 HydrophobicContact CG-CD1 4.3Å; R169-L173 WeakPolarHBondContact O-CB 3.38Å; R169-L173 VanDerWaalsContact O-CG 3.29Å; R169-L173 WeakPolarHBondContact O-CG 3.38Å; R169-L173 PolarHBondContact O-N 3.33Å
170	K	83.9	Confident	86.4	Confident	136 Å²	136	57.9 Å²	57.9	59%	0.591	31%	0.31	S	S	*	.	H	α-helix	trans	-65.4	-43	173.5	-79	178	177.2	-174.8	0	111.7	M166 N167 L173 S174	M166-K170 WeakPolarHBondContact O-CB 3.48Å; M166-K170 VanDerWaalsContact O-CG 3.28Å; M166-K170 WeakPolarHBondContact O-CG 3.45Å; M166-K170 PolarHBondContact O-N 2.75Å; N167-K170 PolarHBondContact O-N 2.94Å; K170-L173 PolarHBondContact O-N 3.08Å; K170-S174 PolarHBondContact O-N 3.13Å
171	A	87.2	Confident	86.8	Confident	60 Å²	60	56 Å²	56	50%	0.496	30%	0.304	S	S	.	.	H	α-helix	trans	-62.9	-45.9	176.1	0	0	0	0	0	111.3	N167 E168 L173 S174 A175	N167-A171 WeakPolarHBondContact O-CB 3.4Å; N167-A171 PolarHBondContact O-N 2.88Å; E168-A171 PolarHBondContact O-N 3.2Å; A171-L173 PolarHBondContact O-N 3.08Å; A171-S174 PolarHBondContact O-N 2.77Å; A171-A175 WeakPolarHBondContact O-CB 3.2Å; A171-A175 PolarHBondContact O-N 3.04Å
172	A	87.4	Confident	87.1	Confident	62 Å²	62	60.7 Å²	60.7	51%	0.512	33%	0.329	S	S	.	.	H	α-helix	trans	-60	-42.1	176.3	0	0	0	0	0	112.7	E168 A175 A176	E168-A172 WeakPolarHBondContact O-CB 3.28Å; E168-A172 PolarHBondContact O-N 2.96Å; A172-A175 PolarHBondContact O-N 2.89Å; A172-A176 VanDerWaalsContact O-CB 3.29Å; A172-A176 WeakPolarHBondContact O-CB 3.39Å; A172-A176 PolarHBondContact O-N 2.9Å
173	L	84.8	Confident	87.3	Confident	80 Å²	80	60.3 Å²	60.3	42%	0.419	33%	0.328	S	S	.	.	H	α-helix	trans	-68.9	-32.7	176.6	-72.8	169.6	0	0	0	113.3	R169 K170 A171 A177	R169-L173 HydrophobicContact CG-CD1 4.3Å; R169-L173 WeakPolarHBondContact O-CB 3.38Å; R169-L173 VanDerWaalsContact O-CG 3.29Å; R169-L173 WeakPolarHBondContact O-CG 3.38Å; R169-L173 PolarHBondContact O-N 3.33Å; K170-L173 PolarHBondContact O-N 3.08Å; A171-L173 PolarHBondContact O-N 3.08Å; L173-A177 WeakPolarHBondContact O-CB 3.32Å; L173-A177 PolarHBondContact O-N 3.11Å
174	S	86.5	Confident	87.6	Confident	34 Å²	34	59.4 Å²	59.4	24%	0.238	32%	0.322	C	S	.	.	H	α-helix	trans	-72.8	-43.4	172.9	-178.1	0	0	0	0	111.2	K170 A171 A176 A177 K178 H546	K170-S174 PolarHBondContact O-N 3.13Å; A171-S174 PolarHBondContact O-N 2.77Å; S174-A176 PolarHBondContact O-N 3.39Å; S174-A177 PolarHBondContact O-N 3.04Å; S174-K178 PolarHBondContact O-N 3.11Å; S174-H546 PolarHBondContact OG-O 3.23Å; S174-H546 VanDerWaalsContact OG-O 3.12Å
175	A	89.5	Confident	87.8	Confident	58 Å²	58	57.9 Å²	57.9	48%	0.479	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-41.2	176.3	0	0	0	0	0	112.5	A171 A172 K178 H179	A171-A175 WeakPolarHBondContact O-CB 3.2Å; A171-A175 PolarHBondContact O-N 3.04Å; A172-A175 PolarHBondContact O-N 2.89Å; A175-K178 PolarHBondContact O-N 2.82Å; A175-H179 WeakPolarHBondContact O-CB 3.28Å; A175-H179 PolarHBondContact O-N 2.92Å
176	A	88.9	Confident	88.1	Confident	29 Å²	29	57.8 Å²	57.8	24%	0.24	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-45.1	173.5	0	0	0	0	0	111.9	A172 S174 K178 H179 R180	A172-A176 VanDerWaalsContact O-CB 3.29Å; A172-A176 WeakPolarHBondContact O-CB 3.39Å; A172-A176 PolarHBondContact O-N 2.9Å; S174-A176 PolarHBondContact O-N 3.39Å; A176-K178 PolarHBondContact O-N 3.45Å; A176-H179 PolarHBondContact O-N 3.11Å; A176-R180 VanDerWaalsContact O-CD 3.29Å; A176-R180 WeakPolarHBondContact O-CD 3.48Å; A176-R180 VanDerWaalsContact O-CG 3.23Å; A176-R180 WeakPolarHBondContact O-CG 3.48Å; A176-R180 PolarHBondContact O-N 3.2Å
177	A	88.9	Confident	88.4	Confident	5 Å²	5	56 Å²	56	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-38.5	176.2	0	0	0	0	0	112.5	L173 S174 R180 L181 H546 L548	L173-A177 WeakPolarHBondContact O-CB 3.32Å; L173-A177 PolarHBondContact O-N 3.11Å; S174-A177 PolarHBondContact O-N 3.04Å; A177-R180 PolarHBondContact O-N 3.16Å; A177-L181 PolarHBondContact O-N 2.88Å; A177-H546 HydrophobicContact CB-CB 4.36Å; A177-L548 HydrophobicContact CB-CD2 3.97Å
178	K	90.4	Very high	88.5	Confident	64 Å²	64	52 Å²	52	28%	0.278	28%	0.283	S	S	.	.	H	α-helix	trans	-64.2	-49.6	172.8	-74.6	-171.3	171.6	-170.1	0	111.9	S174 A175 A176 R180 L181 D182 L548 D551	S174-K178 PolarHBondContact O-N 3.11Å; A175-K178 PolarHBondContact O-N 2.82Å; A176-K178 PolarHBondContact O-N 3.45Å; K178-R180 PolarHBondContact O-N 3.3Å; K178-L181 CarbonylContact O-C 3.56Å; K178-L181 WeakPolarHBondContact O-CA 3.41Å; K178-L181 VanDerWaalsContact O-CB 3.27Å; K178-L181 WeakPolarHBondContact O-CB 3.25Å; K178-L181 PolarHBondContact O-N 3.01Å; K178-D182 VanDerWaalsContact O-CG 3.23Å; K178-D182 PolarHBondContact O-N 3.41Å; K178-L548 HydrophobicContact CB-CD2 4.49Å; K178-L548 HydrophobicContact CG-CD2 3.65Å; K178-D551 IonicContact NZ-OD2 3.97Å; K178-D551 PolarHBondContact NZ-OD2 2.91Å
179	H	91	Very high	88.5	Confident	85 Å²	85	54.1 Å²	54.1	39%	0.394	29%	0.292	S	S	.	.	H	α-helix	trans	-56.8	-36.4	176.4	-177.8	-96.2	0	0	0	113.1	A175 A176 V183	A175-H179 WeakPolarHBondContact O-CB 3.28Å; A175-H179 PolarHBondContact O-N 2.92Å; A176-H179 PolarHBondContact O-N 3.11Å; H179-V183 WeakPolarHBondContact O-CG2 3.4Å; H179-V183 PolarHBondContact O-N 3.48Å; H179-V183 VanDerWaalsContact O-N 3.1Å
180	R	92.1	Very high	88.6	Confident	16 Å²	16	53.1 Å²	53.1	6%	0.06	29%	0.291	C	S	.	.	H	α-helix	trans	-72.3	-33.6	174	-66.8	158.4	166.7	-133.9	-18.4	113.2	A176 A177 K178 F184 L217 V660 S662 D675	A176-R180 VanDerWaalsContact O-CD 3.29Å; A176-R180 WeakPolarHBondContact O-CD 3.48Å; A176-R180 VanDerWaalsContact O-CG 3.23Å; A176-R180 WeakPolarHBondContact O-CG 3.48Å; A176-R180 PolarHBondContact O-N 3.2Å; A177-R180 PolarHBondContact O-N 3.16Å; K178-R180 PolarHBondContact O-N 3.3Å; R180-F184 WeakPolarHBondContact O-CB 3.26Å; R180-F184 PolarHBondContact O-N 3.02Å; R180-L217 HydrophobicContact CG-CD2 3.75Å; R180-V660 VanDerWaalsContact CD-O 3.32Å; R180-V660 WeakPolarHBondContact CD-O 3.37Å; R180-V660 PolarHBondContact NH1-O 3.1Å; R180-S662 VanDerWaalsContact NH1-CB 3.31Å; R180-S662 PolarHBondContact NH1-OG 3.26Å; R180-S662 PolarHBondContact NH2-OG 3Å; R180-S662 VanDerWaalsContact NH2-OG 3.16Å; R180-D675 IonicContact CZ-OD1 3.65Å; R180-D675 IonicContact CZ-OD2 2.76Å; R180-D675 VanDerWaalsContact NE-CG 3.34Å; R180-D675 IonicContact NE-OD1 3.64Å; R180-D675 PolarHBondContact NE-OD1 3.47Å; R180-D675 IonicContact NE-OD2 3.45Å; R180-D675 PolarHBondContact NE-OD2 3.49Å; R180-D675 IonicContact NH2-OD1 2.62Å; R180-D675 PolarHBondContact NH2-OD1 3.21Å; R180-D675 IonicContact NH2-OD2 3.66Å; R180-D675 PolarHBondContact NH2-OD2 2.88Å
181	L	91.1	Very high	88.5	Confident	13 Å²	13	47.9 Å²	47.9	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-44.1	171.2	-177.3	64.9	0	0	0	110.7	A177 K178 V183 F184 M185 L548 W549 Y656 V660	A177-L181 PolarHBondContact O-N 2.88Å; K178-L181 CarbonylContact O-C 3.56Å; K178-L181 WeakPolarHBondContact O-CA 3.41Å; K178-L181 VanDerWaalsContact O-CB 3.27Å; K178-L181 WeakPolarHBondContact O-CB 3.25Å; K178-L181 PolarHBondContact O-N 3.01Å; L181-V183 PolarHBondContact O-N 3.2Å; L181-F184 WeakPolarHBondContact O-CB 3.34Å; L181-F184 PolarHBondContact O-N 3.29Å; L181-M185 HydrophobicContact CD1-CE 3.61Å; L181-M185 HydrophobicContact CD1-CG 4.45Å; L181-M185 HydrophobicContact CG-CE 4.47Å; L181-M185 VanDerWaalsContact O-CG 3.28Å; L181-M185 WeakPolarHBondContact O-CG 3.42Å; L181-M185 PolarHBondContact O-N 2.64Å; L181-L548 HydrophobicContact CD2-CB 4.06Å; L181-L548 HydrophobicContact CD2-CD1 4.39Å; L181-L548 HydrophobicContact CD2-CD2 4.47Å; L181-W549 HydrophobicContact CD1-CZ2 4.06Å; L181-W549 HydrophobicContact CD2-CZ2 4.31Å; L181-Y656 HydrophobicContact CD1-CE2 3.54Å; L181-V660 HydrophobicContact CB-CG1 4.13Å; L181-V660 HydrophobicContact CD1-CG1 4.39Å; L181-V660 HydrophobicContact CD1-CG2 4.13Å
182	D	91.2	Very high	88.1	Confident	103 Å²	103	48.8 Å²	48.8	55%	0.551	27%	0.268	S	S	*	.	H	α-helix	trans	-59.8	-47.6	177.4	-57.7	-37.4	0	0	0	110.9	K178 F184 M185 E186	K178-D182 VanDerWaalsContact O-CG 3.23Å; K178-D182 PolarHBondContact O-N 3.41Å; D182-F184 PolarHBondContact O-N 3.07Å; D182-M185 PolarHBondContact O-N 2.68Å; D182-E186 PolarHBondContact O-N 2.69Å
183	V	90.9	Very high	87.8	Confident	9 Å²	9	46.1 Å²	46.1	6%	0.055	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-40.1	174.5	167.9	0	0	0	0	112.4	H179 L181 E186 L187 K216 L217	H179-V183 WeakPolarHBondContact O-CG2 3.4Å; H179-V183 PolarHBondContact O-N 3.48Å; H179-V183 VanDerWaalsContact O-N 3.1Å; L181-V183 PolarHBondContact O-N 3.2Å; V183-E186 PolarHBondContact O-N 3.37Å; V183-L187 HydrophobicContact CG1-CD1 4.05Å; V183-L187 WeakPolarHBondContact O-CG 3.37Å; V183-L187 PolarHBondContact O-N 3.2Å; V183-L187 VanDerWaalsContact O-N 3.08Å; V183-K216 HydrophobicContact CG1-CB 3.61Å; V183-K216 HydrophobicContact CG1-CG 4.5Å; V183-K216 HydrophobicContact CG2-CB 4.14Å; V183-L217 HydrophobicContact CB-CD2 4.42Å; V183-L217 HydrophobicContact CG1-CG 4.44Å; V183-L217 HydrophobicContact CG2-CD2 4.14Å
184	F	91.2	Very high	87.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.7	-44.3	174.8	178.3	-85.1	0	0	0	111.4	R180 L181 D182 L187 L188 L193 L594 L652 Y656 I659 V660	R180-F184 WeakPolarHBondContact O-CB 3.26Å; R180-F184 PolarHBondContact O-N 3.02Å; L181-F184 WeakPolarHBondContact O-CB 3.34Å; L181-F184 PolarHBondContact O-N 3.29Å; D182-F184 PolarHBondContact O-N 3.07Å; F184-L187 PolarHBondContact O-N 3.22Å; F184-L188 HydrophobicContact CE1-CD2 4.19Å; F184-L188 WeakPolarHBondContact O-CB 3.24Å; F184-L188 PolarHBondContact O-N 3.04Å; F184-L193 HydrophobicContact CD2-CD1 3.88Å; F184-L193 HydrophobicContact CE1-CD1 4.2Å; F184-L193 HydrophobicContact CE2-CD1 3.53Å; F184-L193 HydrophobicContact CE2-CD2 4.41Å; F184-L193 HydrophobicContact CG-CD1 4.36Å; F184-L193 HydrophobicContact CZ-CD1 3.71Å; F184-L594 HydrophobicContact CE1-CD1 3.93Å; F184-L594 HydrophobicContact CZ-CD1 3.87Å; F184-L652 HydrophobicContact CZ-CD1 4.23Å; F184-Y656 AromaticContact CD1-CD2 3.94Å; F184-Y656 HydrophobicContact CD1-CD2 3.94Å; F184-Y656 HydrophobicContact CD1-CE2 4.4Å; F184-Y656 HydrophobicContact CD2-CD2 4.41Å; F184-Y656 AromaticContact CE1-CD2 3.69Å; F184-Y656 HydrophobicContact CE1-CD2 3.69Å; F184-Y656 HydrophobicContact CE1-CE2 4.44Å; F184-Y656 HydrophobicContact CE2-CD2 4.18Å; F184-Y656 HydrophobicContact CG-CD2 4.3Å; F184-Y656 AromaticContact CZ-CD2 3.82Å; F184-Y656 HydrophobicContact CZ-CD2 3.82Å; F184-Y656 HydrophobicContact CZ-CG 4.4Å; F184-I659 HydrophobicContact CB-CG2 4.06Å; F184-I659 HydrophobicContact CD2-CB 4.05Å; F184-I659 HydrophobicContact CD2-CD1 3.92Å; F184-I659 HydrophobicContact CD2-CG2 4.08Å; F184-I659 HydrophobicContact CE2-CD1 4.29Å; F184-V660 HydrophobicContact CB-CG2 3.85Å; F184-V660 HydrophobicContact CD2-CG2 4.34Å; F184-V660 HydrophobicContact CG-CG2 4.05Å
185	M	89.8	Confident	86.5	Confident	32 Å²	32	53.6 Å²	53.6	16%	0.158	28%	0.278	C	S	.	.	H	α-helix	trans	-69	-35.3	179.1	-65.7	-64.6	162.6	0	0	112.1	L181 D182 L188 H189 W549 P593 Y656	L181-M185 HydrophobicContact CD1-CE 3.61Å; L181-M185 HydrophobicContact CD1-CG 4.45Å; L181-M185 HydrophobicContact CG-CE 4.47Å; L181-M185 VanDerWaalsContact O-CG 3.28Å; L181-M185 WeakPolarHBondContact O-CG 3.42Å; L181-M185 PolarHBondContact O-N 2.64Å; D182-M185 PolarHBondContact O-N 2.68Å; M185-L188 PolarHBondContact O-N 3.42Å; M185-L188 HydrophobicContact SD-CD2 4.07Å; M185-H189 VanDerWaalsContact O-CG 3.25Å; M185-H189 PolarHBondContact O-N 3.13Å; M185-H189 PolarHBondContact O-ND1 3.22Å; M185-H189 VanDerWaalsContact O-ND1 3.15Å; M185-W549 HydrophobicContact CE-CH2 3.53Å; M185-W549 HydrophobicContact CE-CZ2 3.66Å; M185-P593 HydrophobicContact CE-CG 4.38Å; M185-Y656 HydrophobicContact CE-CE2 4.44Å
186	E	88.8	Confident	86.2	Confident	63 Å²	63	52.8 Å²	52.8	29%	0.294	26%	0.264	S	S	.	.	H	α-helix	trans	-61.5	-45.2	172.4	-161.9	-159.5	148.2	0	0	111.6	D182 V183 K190 K216	D182-E186 PolarHBondContact O-N 2.69Å; V183-E186 PolarHBondContact O-N 3.37Å; E186-K190 HydrophobicContact CG-CD 4.39Å; E186-K190 WeakPolarHBondContact O-CB 3.2Å; E186-K190 WeakPolarHBondContact O-CG 3.38Å; E186-K190 PolarHBondContact O-N 3.15Å; E186-K190 VanDerWaalsContact O-N 3.13Å; E186-K190 IonicContact OE1-NZ 3.19Å; E186-K190 PolarHBondContact OE1-NZ 3.49Å; E186-K216 WeakPolarHBondContact OE1-CE 3.43Å; E186-K216 IonicContact OE1-NZ 3.96Å; E186-K216 PolarHBondContact OE1-NZ 3.38Å; E186-K216 WeakPolarHBondContact OE2-CD 3.24Å; E186-K216 IonicContact OE2-NZ 2.73Å
187	L	88.3	Confident	86	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-71.1	-29.8	178.3	-69.2	170.5	0	0	0	112.8	V183 F184 G191 F192 L193 V213	V183-L187 HydrophobicContact CG1-CD1 4.05Å; V183-L187 WeakPolarHBondContact O-CG 3.37Å; V183-L187 PolarHBondContact O-N 3.2Å; V183-L187 VanDerWaalsContact O-N 3.08Å; F184-L187 PolarHBondContact O-N 3.22Å; L187-G191 PolarHBondContact O-N 3.35Å; L187-F192 HydrophobicContact CD2-CB 4.42Å; L187-F192 HydrophobicContact CD2-CD2 4.09Å; L187-F192 HydrophobicContact CD2-CG 4.31Å; L187-F192 PolarHBondContact O-N 3.29Å; L187-F192 VanDerWaalsContact O-N 3.14Å; L187-L193 HydrophobicContact CB-CD1 4.43Å; L187-V213 HydrophobicContact CD1-CB 4.35Å; L187-V213 HydrophobicContact CD1-CG2 3.43Å; L187-V213 VanDerWaalsContact CD1-CG2 3.43Å
188	L	87.5	Confident	86	Confident	26 Å²	26	52.8 Å²	52.8	14%	0.136	26%	0.263	C	S	.	.	H	α-helix	trans	-66.5	-52.2	172.3	-172.4	64.7	0	0	0	110.9	F184 M185 K190 G191 L193 L594 L652	F184-L188 HydrophobicContact CE1-CD2 4.19Å; F184-L188 WeakPolarHBondContact O-CB 3.24Å; F184-L188 PolarHBondContact O-N 3.04Å; M185-L188 PolarHBondContact O-N 3.42Å; M185-L188 HydrophobicContact SD-CD2 4.07Å; L188-K190 PolarHBondContact O-N 3.38Å; L188-K190 VanDerWaalsContact O-N 3.16Å; L188-G191 PolarHBondContact O-N 3.08Å; L188-L193 HydrophobicContact CB-CD1 3.99Å; L188-L193 HydrophobicContact CD1-CB 4.21Å; L188-L193 HydrophobicContact CD1-CD1 4.12Å; L188-L594 HydrophobicContact CD2-CD2 4.47Å; L188-L652 HydrophobicContact CD1-CD1 4.29Å
189	H	85.9	Confident	85.8	Confident	161 Å²	161	51.6 Å²	51.6	75%	0.745	26%	0.258	S	S	*	.	H	α-helix	trans	-62.4	-22	177.2	-64.5	146.5	0	0	0	113.6	M185	M185-H189 VanDerWaalsContact O-CG 3.25Å; M185-H189 PolarHBondContact O-N 3.13Å; M185-H189 PolarHBondContact O-ND1 3.22Å; M185-H189 VanDerWaalsContact O-ND1 3.15Å
190	K	85.3	Confident	85.5	Confident	80 Å²	80	49.6 Å²	49.6	35%	0.348	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2	173.3	-74.3	174.3	167.1	173.6	0	114.2	E186 L188 F192 D222	E186-K190 HydrophobicContact CG-CD 4.39Å; E186-K190 WeakPolarHBondContact O-CB 3.2Å; E186-K190 WeakPolarHBondContact O-CG 3.38Å; E186-K190 PolarHBondContact O-N 3.15Å; E186-K190 VanDerWaalsContact O-N 3.13Å; E186-K190 IonicContact OE1-NZ 3.19Å; E186-K190 PolarHBondContact OE1-NZ 3.49Å; L188-K190 PolarHBondContact O-N 3.38Å; L188-K190 VanDerWaalsContact O-N 3.16Å; K190-F192 HydrophobicContact CB-CD2 3.66Å; K190-F192 HydrophobicContact CB-CE2 3.98Å; K190-F192 PolarHBondContact O-N 3.44Å; K190-D222 IonicContact NZ-OD1 3.53Å; K190-D222 PolarHBondContact NZ-OD1 2.89Å; K190-D222 IonicContact NZ-OD2 2.77Å; K190-D222 PolarHBondContact NZ-OD2 2.76Å
191	G	82.4	Confident	85.1	Confident	25 Å²	25	55 Å²	55	26%	0.258	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	6.1	176.3	0	0	0	0	0	115.5	L187 L188 L193	L187-G191 PolarHBondContact O-N 3.35Å; L188-G191 PolarHBondContact O-N 3.08Å; G191-L193 PolarHBondContact O-N 3.36Å
192	F	79	Confident	84.9	Confident	80 Å²	80	55.3 Å²	55.3	35%	0.351	28%	0.281	S	S	.	.	S	Bend	trans	-65.1	-24.7	-178.4	-83.4	-86.6	0	0	0	113.3	L187 K190 Q196 L209	L187-F192 HydrophobicContact CD2-CB 4.42Å; L187-F192 HydrophobicContact CD2-CD2 4.09Å; L187-F192 HydrophobicContact CD2-CG 4.31Å; L187-F192 PolarHBondContact O-N 3.29Å; L187-F192 VanDerWaalsContact O-N 3.14Å; K190-F192 HydrophobicContact CB-CD2 3.66Å; K190-F192 HydrophobicContact CB-CE2 3.98Å; K190-F192 PolarHBondContact O-N 3.44Å; F192-Q196 WeakPolarHBondContact O-CG 3.47Å; F192-Q196 PolarHBondContact O-NE2 2.87Å; F192-L209 HydrophobicContact CB-CD1 4.29Å
193	L	80.1	Confident	84.7	Confident	5 Å²	5	52 Å²	52	3%	0.026	27%	0.266	C	S	.	.	S	Bend	trans	-92.8	-31.7	-175.5	-70.2	168.3	0	0	0	113.9	F184 L187 L188 G191 N195 Q196 L209 L652 L655 I659	F184-L193 HydrophobicContact CD2-CD1 3.88Å; F184-L193 HydrophobicContact CE1-CD1 4.2Å; F184-L193 HydrophobicContact CE2-CD1 3.53Å; F184-L193 HydrophobicContact CE2-CD2 4.41Å; F184-L193 HydrophobicContact CG-CD1 4.36Å; F184-L193 HydrophobicContact CZ-CD1 3.71Å; L187-L193 HydrophobicContact CB-CD1 4.43Å; L188-L193 HydrophobicContact CB-CD1 3.99Å; L188-L193 HydrophobicContact CD1-CB 4.21Å; L188-L193 HydrophobicContact CD1-CD1 4.12Å; G191-L193 PolarHBondContact O-N 3.36Å; L193-N195 PolarHBondContact O-N 2.82Å; L193-Q196 PolarHBondContact O-N 3.45Å; L193-Q196 VanDerWaalsContact O-N 3.17Å; L193-L209 HydrophobicContact CD2-CD1 3.76Å; L193-L209 HydrophobicContact CD2-CD2 3.77Å; L193-L209 HydrophobicContact CD2-CG 4.33Å; L193-L209 HydrophobicContact CG-CD1 4.4Å; L193-L652 HydrophobicContact CB-CD1 4.31Å; L193-L655 HydrophobicContact CD2-CB 4.36Å; L193-L655 HydrophobicContact CD2-CD1 4.02Å; L193-I659 HydrophobicContact CD2-CD1 4.1Å
194	E	73	Confident	84.5	Confident	134 Å²	134	56.2 Å²	56.2	63%	0.626	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-17.6	-164.6	-59.4	-171.6	144.2	0	0	114.6
195	N	72.2	Confident	84.4	Confident	138 Å²	138	59.3 Å²	59.3	74%	0.738	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	7.5	-178	-66.3	-75.7	0	0	0	113.8	L193	L193-N195 PolarHBondContact O-N 2.82Å
196	Q	81.7	Confident	84.4	Confident	40 Å²	40	57.8 Å²	57.8	19%	0.187	29%	0.294	C	S	.	.			trans	-96.4	102.9	-172.1	-59.9	-63.8	-12.2	0	0	112.4	F192 L193 N202 L209 L655	F192-Q196 WeakPolarHBondContact O-CG 3.47Å; F192-Q196 PolarHBondContact O-NE2 2.87Å; L193-Q196 PolarHBondContact O-N 3.45Å; L193-Q196 VanDerWaalsContact O-N 3.17Å; Q196-N202 PolarHBondContact OE1-ND2 2.98Å; Q196-L209 HydrophobicContact CB-CD2 4.48Å; Q196-L209 HydrophobicContact CG-CD2 4.26Å; Q196-L655 HydrophobicContact CB-CD1 4.05Å
197	S	86	Confident	84.4	Confident	35 Å²	35	57.4 Å²	57.4	25%	0.245	29%	0.294	C	S	.	.			trans	-79	141.5	171.1	64.4	0	0	0	0	111.6	Q199 N202 D651	S197-Q199 PolarHBondContact O-N 2.89Å; S197-Q199 VanDerWaalsContact O-N 3.11Å; S197-N202 PolarHBondContact N-ND2 3.27Å; S197-N202 PolarHBondContact O-ND2 2.86Å; S197-D651 VanDerWaalsContact CA-OD2 3.28Å; S197-D651 WeakPolarHBondContact CA-OD2 3.35Å
198	V	88	Confident	84.4	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.303	C	S	.	.			trans	-90.3	64.5	176.3	-169.6	0	0	0	0	109.2	L206 D651 I654 L655 Y666 A686 R687	V198-L206 HydrophobicContact CG2-CD2 4.5Å; V198-D651 HydrophobicContact CB-CB 4.47Å; V198-D651 VanDerWaalsContact CB-OD1 3.24Å; V198-D651 WeakPolarHBondContact CB-OD1 3.34Å; V198-D651 HydrophobicContact CG2-CB 3.86Å; V198-D651 WeakPolarHBondContact CG2-OD1 3.35Å; V198-D651 PolarHBondContact N-OD1 3.03Å; V198-D651 PolarHBondContact N-OD2 2.88Å; V198-I654 HydrophobicContact CG1-CG2 4.45Å; V198-I654 HydrophobicContact CG2-CG2 4.39Å; V198-L655 HydrophobicContact CG2-CD2 4.18Å; V198-L655 HydrophobicContact CG2-CG 4.07Å; V198-Y666 HydrophobicContact CG1-CE2 4.37Å; V198-A686 HydrophobicContact CG1-CB 3.93Å; V198-R687 WeakPolarHBondContact O-CB 3.06Å; V198-R687 WeakPolarHBondContact O-CG 3.23Å; V198-R687 PolarHBondContact O-N 2.92Å
199	Q	85.6	Confident	84.5	Confident	39 Å²	39	58.7 Å²	58.7	18%	0.182	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-126.1	155.1	-178.5	-67.7	174.4	-10	0	0	110.4	S197 D201 N202 R687	S197-Q199 PolarHBondContact O-N 2.89Å; S197-Q199 VanDerWaalsContact O-N 3.11Å; Q199-D201 VanDerWaalsContact C-N 3.33Å; Q199-D201 PolarHBondContact O-N 3.07Å; Q199-N202 PolarHBondContact O-N 3.35Å; Q199-N202 VanDerWaalsContact O-N 3.16Å; Q199-R687 CarbonylContact C-O 3.59Å; Q199-R687 WeakPolarHBondContact CA-O 3.2Å; Q199-R687 HydrophobicContact CG-CB 4.48Å
200	M	85.2	Confident	84.7	Confident	43 Å²	43	51.4 Å²	51.4	21%	0.212	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-66.6	-35.9	-176.7	-170.3	56.5	38.8	0	0	112.4	N202 S203 V515 P517 A686 R687 D689	M200-N202 PolarHBondContact O-N 2.88Å; M200-S203 WeakPolarHBondContact O-CB 3.5Å; M200-S203 PolarHBondContact O-N 2.65Å; M200-S203 PolarHBondContact O-OG 3.25Å; M200-V515 HydrophobicContact CE-CG1 3.79Å; M200-V515 HydrophobicContact SD-CG1 4.33Å; M200-P517 VanDerWaalsContact CE-CA 3.48Å; M200-P517 HydrophobicContact CE-CB 3.77Å; M200-A686 HydrophobicContact CE-CB 4.17Å; M200-R687 PolarHBondContact N-O 3.07Å; M200-D689 WeakPolarHBondContact CB-OD2 3.38Å; M200-D689 PolarHBondContact N-OD2 2.7Å
201	D	84.2	Confident	84.9	Confident	128 Å²	128	48.4 Å²	48.4	68%	0.684	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-61.3	-21.7	175.4	-65.4	-25.9	0	0	0	113	Q199	Q199-D201 VanDerWaalsContact C-N 3.33Å; Q199-D201 PolarHBondContact O-N 3.07Å
202	N	86.1	Confident	85.2	Confident	21 Å²	21	47.4 Å²	47.4	11%	0.112	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-98.1	11.1	176.6	-165.2	43.6	0	0	0	113.7	Q196 S197 Q199 M200 E204 N205 L206	Q196-N202 PolarHBondContact OE1-ND2 2.98Å; S197-N202 PolarHBondContact N-ND2 3.27Å; S197-N202 PolarHBondContact O-ND2 2.86Å; Q199-N202 PolarHBondContact O-N 3.35Å; Q199-N202 VanDerWaalsContact O-N 3.16Å; M200-N202 PolarHBondContact O-N 2.88Å; N202-E204 VanDerWaalsContact C-N 3.34Å; N202-E204 PolarHBondContact O-N 3.04Å; N202-N205 PolarHBondContact O-N 3.4Å; N202-N205 VanDerWaalsContact O-N 3.1Å; N202-N205 WeakPolarHBondContact OD1-CB 3.18Å; N202-N205 PolarHBondContact OD1-ND2 3.44Å; N202-L206 PolarHBondContact O-N 2.83Å; N202-L206 VanDerWaalsContact O-N 3.11Å
203	S	87.5	Confident	85.7	Confident	33 Å²	33	43.7 Å²	43.7	23%	0.231	23%	0.225	C	C	.	.	H	α-helix	trans	-57.5	-34.8	-169.5	50.2	0	0	0	0	115.4	M200 I207	M200-S203 WeakPolarHBondContact O-CB 3.5Å; M200-S203 PolarHBondContact O-N 2.65Å; M200-S203 PolarHBondContact O-OG 3.25Å; S203-I207 WeakPolarHBondContact O-CG1 3.41Å; S203-I207 PolarHBondContact O-N 3.43Å; S203-I207 VanDerWaalsContact O-N 3.07Å
204	E	86.9	Confident	86.2	Confident	98 Å²	98	43.8 Å²	43.8	46%	0.458	23%	0.227	S	C	.	.	H	α-helix	trans	-67.2	-39.1	176.6	-66.7	-149.2	127	0	0	112.8	N202 I207 K208 R235	N202-E204 VanDerWaalsContact C-N 3.34Å; N202-E204 PolarHBondContact O-N 3.04Å; E204-I207 PolarHBondContact O-N 3.4Å; E204-K208 WeakPolarHBondContact O-CG 3.5Å; E204-K208 PolarHBondContact O-N 2.86Å; E204-R235 IonicContact OE1-CZ 2.72Å; E204-R235 IonicContact OE1-NH1 2.89Å; E204-R235 PolarHBondContact OE1-NH1 3.39Å; E204-R235 IonicContact OE1-NH2 3.85Å; E204-R235 PolarHBondContact OE1-NH2 2.94Å; E204-R235 IonicContact OE2-NH1 3.25Å; E204-R235 PolarHBondContact OE2-NH1 3.49Å
205	N	88.9	Confident	86.9	Confident	65 Å²	65	37.4 Å²	37.4	35%	0.348	20%	0.197	S	C	.	.	H	α-helix	trans	-74.4	-33	179.2	-60.4	-37.9	0	0	0	111.6	N202 I207 K208 L209	N202-N205 PolarHBondContact O-N 3.4Å; N202-N205 VanDerWaalsContact O-N 3.1Å; N202-N205 WeakPolarHBondContact OD1-CB 3.18Å; N202-N205 PolarHBondContact OD1-ND2 3.44Å; N205-I207 VanDerWaalsContact C-N 3.31Å; N205-I207 PolarHBondContact O-N 3.23Å; N205-K208 PolarHBondContact O-N 2.82Å; N205-L209 WeakPolarHBondContact O-CB 3.42Å; N205-L209 PolarHBondContact O-N 3.31Å
206	L	89.4	Confident	87.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.7	-40.6	169	-67	173.1	0	0	0	111.4	V198 N202 L209 M210 V515 L655 L684 A686	V198-L206 HydrophobicContact CG2-CD2 4.5Å; N202-L206 PolarHBondContact O-N 2.83Å; N202-L206 VanDerWaalsContact O-N 3.11Å; L206-L209 PolarHBondContact O-N 3.02Å; L206-M210 WeakPolarHBondContact O-CB 3.37Å; L206-M210 WeakPolarHBondContact O-CG 3.35Å; L206-M210 PolarHBondContact O-N 2.96Å; L206-V515 HydrophobicContact CB-CG2 4.32Å; L206-L655 HydrophobicContact CD2-CD2 4.35Å; L206-L684 HydrophobicContact CD1-CD2 4.49Å; L206-L684 HydrophobicContact CD2-CD2 4.49Å; L206-A686 HydrophobicContact CD1-CB 4.23Å
207	I	89.7	Confident	87.9	Confident	55 Å²	55	30.4 Å²	30.4	28%	0.282	16%	0.159	S	C	.	.	H	α-helix	trans	-63.9	-45.5	174.5	-70.5	165.6	0	0	0	111	S203 E204 N205 L209 M210 D211 R514 V515	S203-I207 WeakPolarHBondContact O-CG1 3.41Å; S203-I207 PolarHBondContact O-N 3.43Å; S203-I207 VanDerWaalsContact O-N 3.07Å; E204-I207 PolarHBondContact O-N 3.4Å; N205-I207 VanDerWaalsContact C-N 3.31Å; N205-I207 PolarHBondContact O-N 3.23Å; I207-L209 VanDerWaalsContact C-N 3.34Å; I207-L209 PolarHBondContact O-N 3.49Å; I207-M210 PolarHBondContact O-N 3.15Å; I207-D211 PolarHBondContact O-N 3.2Å; I207-R514 HydrophobicContact CG1-CB 4.46Å; I207-V515 HydrophobicContact CD1-CG2 4.17Å; I207-V515 HydrophobicContact CG1-CG2 3.76Å
208	K	88.5	Confident	87.9	Confident	47 Å²	47	31.5 Å²	31.5	20%	0.204	16%	0.161	C	C	.	.	H	α-helix	trans	-60.5	-41.5	175.8	-67.5	168.6	-169	178.3	0	112.2	E204 N205 D211 A212 D232	E204-K208 WeakPolarHBondContact O-CG 3.5Å; E204-K208 PolarHBondContact O-N 2.86Å; N205-K208 PolarHBondContact O-N 2.82Å; K208-D211 PolarHBondContact O-N 3.35Å; K208-A212 WeakPolarHBondContact O-CB 3.26Å; K208-A212 PolarHBondContact O-N 3.34Å; K208-D232 VanDerWaalsContact CE-OD1 3.28Å; K208-D232 WeakPolarHBondContact CE-OD1 3.35Å; K208-D232 WeakPolarHBondContact CE-OD2 3.45Å; K208-D232 IonicContact NZ-OD1 2.68Å; K208-D232 PolarHBondContact NZ-OD1 3.3Å; K208-D232 IonicContact NZ-OD2 3.73Å; K208-D232 PolarHBondContact NZ-OD2 2.92Å
209	L	89.6	Confident	87.7	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-61.4	-47.1	174.2	177.9	71.7	0	0	0	111.2	F192 L193 Q196 N205 L206 I207 D211 A212 V213 L655	F192-L209 HydrophobicContact CB-CD1 4.29Å; L193-L209 HydrophobicContact CD2-CD1 3.76Å; L193-L209 HydrophobicContact CD2-CD2 3.77Å; L193-L209 HydrophobicContact CD2-CG 4.33Å; L193-L209 HydrophobicContact CG-CD1 4.4Å; Q196-L209 HydrophobicContact CB-CD2 4.48Å; Q196-L209 HydrophobicContact CG-CD2 4.26Å; N205-L209 WeakPolarHBondContact O-CB 3.42Å; N205-L209 PolarHBondContact O-N 3.31Å; L206-L209 PolarHBondContact O-N 3.02Å; I207-L209 VanDerWaalsContact C-N 3.34Å; I207-L209 PolarHBondContact O-N 3.49Å; L209-D211 VanDerWaalsContact C-N 3.27Å; L209-D211 PolarHBondContact O-N 3.49Å; L209-A212 PolarHBondContact O-N 2.92Å; L209-V213 VanDerWaalsContact O-CG2 3.31Å; L209-V213 WeakPolarHBondContact O-CG2 3.28Å; L209-V213 PolarHBondContact O-N 3.25Å; L209-L655 HydrophobicContact CD2-CD1 4.11Å; L209-L655 HydrophobicContact CD2-CD2 3.82Å
210	M	89.4	Confident	87.3	Confident	8 Å²	8	33.2 Å²	33.2	4%	0.039	19%	0.189	C	C	.	.	H	α-helix	trans	-61.5	-35.8	177.5	-69.1	168	72.8	0	0	111.6	L206 I207 V213 V214 C681 G682 L684	L206-M210 WeakPolarHBondContact O-CB 3.37Å; L206-M210 WeakPolarHBondContact O-CG 3.35Å; L206-M210 PolarHBondContact O-N 2.96Å; I207-M210 PolarHBondContact O-N 3.15Å; M210-V213 WeakPolarHBondContact O-CB 3.5Å; M210-V214 WeakPolarHBondContact O-CG2 3.24Å; M210-V214 PolarHBondContact O-N 2.87Å; M210-C681 HydrophobicContact CB-CB 4.48Å; M210-C681 WeakPolarHBondContact CE-O 3.27Å; M210-G682 WeakPolarHBondContact CE-O 3.47Å; M210-L684 HydrophobicContact CE-CB 4Å; M210-L684 HydrophobicContact SD-CB 3.9Å; M210-L684 HydrophobicContact SD-CD2 4.14Å
211	D	89.9	Confident	87.2	Confident	17 Å²	17	33.5 Å²	33.5	9%	0.091	20%	0.195	C	C	.	.	H	α-helix	trans	-77.6	-32.5	176.8	-71.8	-17.7	0	0	0	113.4	I207 K208 L209 V213 V214 I215 L228 H422 R514	I207-D211 PolarHBondContact O-N 3.2Å; K208-D211 PolarHBondContact O-N 3.35Å; L209-D211 VanDerWaalsContact C-N 3.27Å; L209-D211 PolarHBondContact O-N 3.49Å; D211-V213 VanDerWaalsContact C-N 3.35Å; D211-V214 PolarHBondContact O-N 3.45Å; D211-I215 VanDerWaalsContact O-CG1 3.27Å; D211-I215 WeakPolarHBondContact O-CG1 3.47Å; D211-I215 PolarHBondContact O-N 3.49Å; D211-L228 HydrophobicContact CB-CD1 4.27Å; D211-L228 HydrophobicContact CB-CD2 4.12Å; D211-H422 HydrophobicContact CB-CB 3.78Å; D211-H422 IonicContact OD2-CD2 3.59Å; D211-R514 IonicContact OD1-CZ 2.69Å; D211-R514 IonicContact OD1-NH1 3.69Å; D211-R514 PolarHBondContact OD1-NH1 2.79Å; D211-R514 IonicContact OD1-NH2 3.11Å; D211-R514 PolarHBondContact OD1-NH2 3.19Å; D211-R514 IonicContact OD2-NH1 3.76Å; D211-R514 PolarHBondContact OD2-NH1 2.93Å
212	A	88.1	Confident	86.9	Confident	3 Å²	3	31 Å²	31	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-63.2	-41.6	169	0	0	0	0	0	111.5	K208 L209 I215 K216 L225 L228	K208-A212 WeakPolarHBondContact O-CB 3.26Å; K208-A212 PolarHBondContact O-N 3.34Å; L209-A212 PolarHBondContact O-N 2.92Å; A212-I215 PolarHBondContact O-N 3.12Å; A212-K216 WeakPolarHBondContact O-CG 3.39Å; A212-K216 PolarHBondContact O-N 3.41Å; A212-L225 HydrophobicContact CB-CD2 3.82Å; A212-L228 HydrophobicContact CB-CD1 4Å
213	V	89.7	Confident	86.3	Confident	2 Å²	2	35 Å²	35	1%	0.012	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-45.8	170.7	168.8	0	0	0	0	110.8	L187 L209 M210 D211 K216 L217 I659	L187-V213 HydrophobicContact CD1-CB 4.35Å; L187-V213 HydrophobicContact CD1-CG2 3.43Å; L187-V213 VanDerWaalsContact CD1-CG2 3.43Å; L209-V213 VanDerWaalsContact O-CG2 3.31Å; L209-V213 WeakPolarHBondContact O-CG2 3.28Å; L209-V213 PolarHBondContact O-N 3.25Å; M210-V213 WeakPolarHBondContact O-CB 3.5Å; D211-V213 VanDerWaalsContact C-N 3.35Å; V213-K216 PolarHBondContact O-N 3.04Å; V213-L217 HydrophobicContact CG1-CD1 3.68Å; V213-L217 HydrophobicContact CG1-CG 4.23Å; V213-L217 VanDerWaalsContact O-CB 3.28Å; V213-L217 WeakPolarHBondContact O-CB 3.21Å; V213-L217 VanDerWaalsContact O-CG 3.24Å; V213-L217 WeakPolarHBondContact O-CG 3.44Å; V213-L217 PolarHBondContact O-N 3.24Å; V213-I659 HydrophobicContact CG1-CG1 4.49Å; V213-I659 HydrophobicContact CG1-CG2 4.01Å; V213-I659 HydrophobicContact CG2-CD1 3.82Å; V213-I659 HydrophobicContact CG2-CG1 4.07Å; V213-I659 HydrophobicContact CG2-CG2 4.28Å
214	V	90.3	Very high	85.9	Confident	8 Å²	8	34.2 Å²	34.2	5%	0.048	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-45.7	177.5	176.3	0	0	0	0	111.4	M210 D211 K216 L217 E218 H422 R680 C681	M210-V214 WeakPolarHBondContact O-CG2 3.24Å; M210-V214 PolarHBondContact O-N 2.87Å; D211-V214 PolarHBondContact O-N 3.45Å; V214-K216 VanDerWaalsContact C-N 3.32Å; V214-K216 PolarHBondContact O-N 3.06Å; V214-L217 PolarHBondContact O-N 3.17Å; V214-E218 HydrophobicContact CG1-CG 4.36Å; V214-E218 WeakPolarHBondContact O-CG 3.34Å; V214-E218 PolarHBondContact O-N 3.16Å; V214-H422 HydrophobicContact CB-CB 4.48Å; V214-H422 HydrophobicContact CG1-CB 4.37Å; V214-R680 HydrophobicContact CG1-CB 4.37Å; V214-R680 HydrophobicContact CG1-CG 4.26Å; V214-R680 HydrophobicContact CG2-CB 4.1Å; V214-C681 HydrophobicContact CG2-CB 3.96Å
215	I	88.2	Confident	85.6	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.3	-47.7	177.2	-71.6	164.6	0	0	0	110.3	D211 A212 E218 G219 G220 D224 L225 L228 L421 H422	D211-I215 VanDerWaalsContact O-CG1 3.27Å; D211-I215 WeakPolarHBondContact O-CG1 3.47Å; D211-I215 PolarHBondContact O-N 3.49Å; A212-I215 PolarHBondContact O-N 3.12Å; I215-E218 PolarHBondContact O-N 3.06Å; I215-G219 PolarHBondContact O-N 3.44Å; I215-G220 WeakPolarHBondContact O-CA 3.14Å; I215-G220 PolarHBondContact O-N 3.05Å; I215-D224 HydrophobicContact CG2-CB 3.75Å; I215-L225 HydrophobicContact CB-CD2 4.17Å; I215-L225 HydrophobicContact CD1-CD2 4.25Å; I215-L225 HydrophobicContact CG2-CD2 3.96Å; I215-L228 HydrophobicContact CD1-CD1 3.88Å; I215-L228 HydrophobicContact CD1-CD2 4.23Å; I215-L228 HydrophobicContact CD1-CG 3.98Å; I215-L421 HydrophobicContact CG1-CB 4.33Å; I215-L421 HydrophobicContact CG2-CD1 4.47Å; I215-H422 HydrophobicContact CG1-CB 4.17Å
216	K	87.6	Confident	85.1	Confident	21 Å²	21	31.8 Å²	31.8	9%	0.091	18%	0.178	C	C	.	.	H	α-helix	trans	-65.3	-40.1	177.4	-72.8	-74	171.7	176.9	0	112.9	V183 E186 A212 V213 V214 E218 G219 D222	V183-K216 HydrophobicContact CG1-CB 3.61Å; V183-K216 HydrophobicContact CG1-CG 4.5Å; V183-K216 HydrophobicContact CG2-CB 4.14Å; E186-K216 WeakPolarHBondContact OE1-CE 3.43Å; E186-K216 IonicContact OE1-NZ 3.96Å; E186-K216 PolarHBondContact OE1-NZ 3.38Å; E186-K216 WeakPolarHBondContact OE2-CD 3.24Å; E186-K216 IonicContact OE2-NZ 2.73Å; A212-K216 WeakPolarHBondContact O-CG 3.39Å; A212-K216 PolarHBondContact O-N 3.41Å; V213-K216 PolarHBondContact O-N 3.04Å; V214-K216 VanDerWaalsContact C-N 3.32Å; V214-K216 PolarHBondContact O-N 3.06Å; K216-E218 VanDerWaalsContact C-N 3.29Å; K216-E218 PolarHBondContact O-N 3.02Å; K216-G219 PolarHBondContact O-N 3.48Å; K216-D222 WeakPolarHBondContact CE-OD1 3.34Å; K216-D222 IonicContact NZ-OD1 3.11Å; K216-D222 PolarHBondContact NZ-OD1 3.48Å
217	L	88.3	Confident	84.5	Confident	10 Å²	10	32.6 Å²	32.6	5%	0.052	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-23	176.8	-77.1	177.3	0	0	0	114.3	R180 V183 V213 V214 R680	R180-L217 HydrophobicContact CG-CD2 3.75Å; V183-L217 HydrophobicContact CB-CD2 4.42Å; V183-L217 HydrophobicContact CG1-CG 4.44Å; V183-L217 HydrophobicContact CG2-CD2 4.14Å; V213-L217 HydrophobicContact CG1-CD1 3.68Å; V213-L217 HydrophobicContact CG1-CG 4.23Å; V213-L217 VanDerWaalsContact O-CB 3.28Å; V213-L217 WeakPolarHBondContact O-CB 3.21Å; V213-L217 VanDerWaalsContact O-CG 3.24Å; V213-L217 WeakPolarHBondContact O-CG 3.44Å; V213-L217 PolarHBondContact O-N 3.24Å; V214-L217 PolarHBondContact O-N 3.17Å; L217-R680 HydrophobicContact CD1-CB 4.23Å; L217-R680 VanDerWaalsContact O-CZ 3.29Å; L217-R680 PolarHBondContact O-NH1 3.15Å; L217-R680 PolarHBondContact O-NH2 3.29Å
218	E	85.8	Confident	83.6	Confident	58 Å²	58	30.9 Å²	30.9	27%	0.271	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	7.6	169.8	-59.8	-65.5	167.7	0	0	112.7	V214 I215 K216 L421 R453 R680	V214-E218 HydrophobicContact CG1-CG 4.36Å; V214-E218 WeakPolarHBondContact O-CG 3.34Å; V214-E218 PolarHBondContact O-N 3.16Å; I215-E218 PolarHBondContact O-N 3.06Å; K216-E218 VanDerWaalsContact C-N 3.29Å; K216-E218 PolarHBondContact O-N 3.02Å; E218-L421 HydrophobicContact CB-CB 4.29Å; E218-L421 HydrophobicContact CB-CD1 4.37Å; E218-R453 IonicContact OE1-CZ 2.67Å; E218-R453 VanDerWaalsContact OE1-CZ 3.25Å; E218-R453 IonicContact OE1-NE 3.34Å; E218-R453 PolarHBondContact OE1-NE 2.67Å; E218-R453 IonicContact OE1-NH2 3.78Å; E218-R453 PolarHBondContact OE1-NH2 2.83Å; E218-R453 IonicContact OE2-NE 2.75Å; E218-R680 WeakPolarHBondContact OE1-CD 3.32Å; E218-R680 VanDerWaalsContact OE1-CG 3.27Å; E218-R680 WeakPolarHBondContact OE1-CG 3.17Å; E218-R680 IonicContact OE1-CZ 3.48Å; E218-R680 IonicContact OE1-NH1 3.24Å; E218-R680 PolarHBondContact OE1-NH1 3.43Å; E218-R680 IonicContact OE2-NH1 3.65Å; E218-R680 PolarHBondContact OE2-NH1 2.95Å; E218-R680 VanDerWaalsContact OE2-NH1 3.11Å
219	G	82.4	Confident	82.8	Confident	68 Å²	68	33.1 Å²	33.1	70%	0.701	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.5	20.6	175.8	0	0	0	0	0	115.6	I215 K216	I215-G219 PolarHBondContact O-N 3.44Å; K216-G219 PolarHBondContact O-N 3.48Å
220	G	78.8	Confident	81.5	Confident	7 Å²	7	37.4 Å²	37.4	7%	0.072	21%	0.206	C	C	.	.			trans	-69	149.3	178.7	0	0	0	0	0	114.3	I215 D224	I215-G220 WeakPolarHBondContact O-CA 3.14Å; I215-G220 PolarHBondContact O-N 3.05Å; G220-D224 WeakPolarHBondContact CA-OD2 3.42Å
221	S	81.2	Confident	80.2	Confident	48 Å²	48	39.9 Å²	39.9	34%	0.336	22%	0.224	S	C	.	.			trans	-83.1	174.6	179.8	82.9	0	0	0	0	112.2	E223 D224 L225	S221-E223 PolarHBondContact O-N 2.9Å; S221-E223 WeakPolarHBondContact OG-CB 3.37Å; S221-E223 PolarHBondContact OG-N 3.46Å; S221-D224 PolarHBondContact N-OD2 3.17Å; S221-D224 PolarHBondContact O-N 2.89Å; S221-D224 VanDerWaalsContact O-N 3.13Å; S221-D224 PolarHBondContact OG-N 2.98Å; S221-L225 PolarHBondContact O-N 3.35Å
222	D	77.9	Confident	78.6	Confident	77 Å²	77	40.7 Å²	40.7	41%	0.412	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-3.8	170.2	-66.2	-17.4	0	0	0	113.1	K190 K216 K226	K190-D222 IonicContact NZ-OD1 3.53Å; K190-D222 PolarHBondContact NZ-OD1 2.89Å; K190-D222 IonicContact NZ-OD2 2.77Å; K190-D222 PolarHBondContact NZ-OD2 2.76Å; K216-D222 WeakPolarHBondContact CE-OD1 3.34Å; K216-D222 IonicContact NZ-OD1 3.11Å; K216-D222 PolarHBondContact NZ-OD1 3.48Å; D222-K226 WeakPolarHBondContact O-CE 3.41Å
223	E	75	Confident	77	Confident	104 Å²	104	48 Å²	48	49%	0.486	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-36.1	168.2	-50.5	-173.3	125	0	0	111.4	S221 L225 K226	S221-E223 PolarHBondContact O-N 2.9Å; S221-E223 WeakPolarHBondContact OG-CB 3.37Å; S221-E223 PolarHBondContact OG-N 3.46Å; E223-L225 VanDerWaalsContact C-N 3.26Å; E223-L225 PolarHBondContact O-N 2.86Å; E223-K226 WeakPolarHBondContact O-CB 3.19Å; E223-K226 PolarHBondContact O-N 3.2Å
224	D	78.2	Confident	75.3	Confident	16 Å²	16	53.3 Å²	53.3	9%	0.086	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-28.6	174.9	-62.6	-55.3	0	0	0	111.9	I215 G220 S221 K226 V227 R419	I215-D224 HydrophobicContact CG2-CB 3.75Å; G220-D224 WeakPolarHBondContact CA-OD2 3.42Å; S221-D224 PolarHBondContact N-OD2 3.17Å; S221-D224 PolarHBondContact O-N 2.89Å; S221-D224 VanDerWaalsContact O-N 3.13Å; S221-D224 PolarHBondContact OG-N 2.98Å; D224-K226 VanDerWaalsContact C-N 3.3Å; D224-K226 PolarHBondContact O-N 3.36Å; D224-V227 WeakPolarHBondContact O-CB 3.5Å; D224-V227 VanDerWaalsContact O-CG2 3.32Å; D224-V227 WeakPolarHBondContact O-CG2 3.18Å; D224-V227 PolarHBondContact O-N 2.95Å; D224-R419 WeakPolarHBondContact OD1-CB 3.26Å; D224-R419 PolarHBondContact OD1-N 2.86Å
225	L	81	Confident	73.6	Confident	16 Å²	16	59 Å²	59	8%	0.084	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-32.4	172.9	-68.5	-178.3	0	0	0	113.1	A212 I215 S221 E223 V227 L228	A212-L225 HydrophobicContact CB-CD2 3.82Å; I215-L225 HydrophobicContact CB-CD2 4.17Å; I215-L225 HydrophobicContact CD1-CD2 4.25Å; I215-L225 HydrophobicContact CG2-CD2 3.96Å; S221-L225 PolarHBondContact O-N 3.35Å; E223-L225 VanDerWaalsContact C-N 3.26Å; E223-L225 PolarHBondContact O-N 2.86Å; L225-V227 PolarHBondContact O-N 3.08Å; L225-L228 WeakPolarHBondContact O-CB 3.43Å; L225-L228 PolarHBondContact O-N 2.88Å
226	K	77.4	Confident	71.9	Confident	97 Å²	97	66.2 Å²	66.2	42%	0.422	33%	0.332	S	S	.	.	H	α-helix	trans	-63.9	-23	-177.9	-61.5	169.1	-170.5	164	0	112.6	D222 E223 D224 L228 E229 E230	D222-K226 WeakPolarHBondContact O-CE 3.41Å; E223-K226 WeakPolarHBondContact O-CB 3.19Å; E223-K226 PolarHBondContact O-N 3.2Å; D224-K226 VanDerWaalsContact C-N 3.3Å; D224-K226 PolarHBondContact O-N 3.36Å; K226-L228 PolarHBondContact O-N 3.48Å; K226-E229 WeakPolarHBondContact O-CB 3.46Å; K226-E229 PolarHBondContact O-N 3.01Å; K226-E229 VanDerWaalsContact O-N 3.08Å; K226-E230 WeakPolarHBondContact O-CG 3.49Å; K226-E230 PolarHBondContact O-N 3.13Å
227	V	76.8	Confident	70.1	Confident	17 Å²	17	67.5 Å²	67.5	10%	0.103	34%	0.344	C	S	.	.	H	α-helix	trans	-55.2	-35.9	172.8	178.6	0	0	0	0	111.6	D224 L225 S231 P418 L420	D224-V227 WeakPolarHBondContact O-CB 3.5Å; D224-V227 VanDerWaalsContact O-CG2 3.32Å; D224-V227 WeakPolarHBondContact O-CG2 3.18Å; D224-V227 PolarHBondContact O-N 2.95Å; L225-V227 PolarHBondContact O-N 3.08Å; V227-S231 WeakPolarHBondContact O-CB 3.37Å; V227-S231 PolarHBondContact O-N 2.91Å; V227-P418 HydrophobicContact CG2-CB 3.54Å; V227-P418 HydrophobicContact CG2-CG 3.7Å; V227-L420 HydrophobicContact CG1-CD2 3.59Å
228	L	72.3	Confident	68.3	Low	19 Å²	19	72.3 Å²	72.3	10%	0.099	37%	0.37	C	S	.	.	H	α-helix	trans	-69.4	-42.2	178.8	-57	-179.5	0	0	0	110.4	D211 A212 I215 L225 K226 S231 D232	D211-L228 HydrophobicContact CB-CD1 4.27Å; D211-L228 HydrophobicContact CB-CD2 4.12Å; A212-L228 HydrophobicContact CB-CD1 4Å; I215-L228 HydrophobicContact CD1-CD1 3.88Å; I215-L228 HydrophobicContact CD1-CD2 4.23Å; I215-L228 HydrophobicContact CD1-CG 3.98Å; L225-L228 WeakPolarHBondContact O-CB 3.43Å; L225-L228 PolarHBondContact O-N 2.88Å; K226-L228 PolarHBondContact O-N 3.48Å; L228-S231 PolarHBondContact O-N 2.67Å; L228-S231 PolarHBondContact O-OG 3.22Å; L228-D232 PolarHBondContact O-N 3.27Å
229	E	71.8	Confident	66.7	Low	94 Å²	94	75.3 Å²	75.3	44%	0.439	38%	0.383	S	S	.	.	H	α-helix	trans	-66.3	-40.2	174.6	-57.1	179.7	-165.4	0	0	112.7	K226 S231 D232 R233	K226-E229 WeakPolarHBondContact O-CB 3.46Å; K226-E229 PolarHBondContact O-N 3.01Å; K226-E229 VanDerWaalsContact O-N 3.08Å; E229-S231 VanDerWaalsContact C-N 3.26Å; E229-S231 PolarHBondContact O-N 2.75Å; E229-D232 WeakPolarHBondContact O-CB 3.34Å; E229-D232 PolarHBondContact O-N 3.45Å; E229-R233 PolarHBondContact O-N 3.22Å; E229-R233 VanDerWaalsContact O-N 3.15Å; E229-R233 IonicContact OE2-NH2 3.29Å
230	E	62.3	Low	65.1	Low	96 Å²	96	78 Å²	78	45%	0.449	38%	0.378	S	S	.	.	H	α-helix	trans	-64.4	-32.9	175.8	-73.1	177.3	178.8	0	0	111.7	K226 D232 R233 N234	K226-E230 WeakPolarHBondContact O-CG 3.49Å; K226-E230 PolarHBondContact O-N 3.13Å; E230-D232 VanDerWaalsContact C-N 3.26Å; E230-D232 PolarHBondContact O-N 3.41Å; E230-R233 PolarHBondContact O-N 3.49Å; E230-N234 PolarHBondContact O-N 3.48Å; E230-N234 VanDerWaalsContact O-N 3.13Å
231	S	60.9	Low	63.8	Low	60 Å²	60	83.4 Å²	83.4	42%	0.42	40%	0.404	S	S	.	.	H	α-helix	trans	-66.4	-26.4	175.3	82.9	0	0	0	0	113.5	V227 L228 E229	V227-S231 WeakPolarHBondContact O-CB 3.37Å; V227-S231 PolarHBondContact O-N 2.91Å; L228-S231 PolarHBondContact O-N 2.67Å; L228-S231 PolarHBondContact O-OG 3.22Å; E229-S231 VanDerWaalsContact C-N 3.26Å; E229-S231 PolarHBondContact O-N 2.75Å
232	D	57.1	Low	62.2	Low	33 Å²	33	85.3 Å²	85.3	18%	0.176	41%	0.414	C	S	.	.	H	α-helix	trans	-76.2	-44.8	169.5	-75.9	-36.3	0	0	0	111.5	K208 L228 E229 E230 N234 R235 Y236	K208-D232 VanDerWaalsContact CE-OD1 3.28Å; K208-D232 WeakPolarHBondContact CE-OD1 3.35Å; K208-D232 WeakPolarHBondContact CE-OD2 3.45Å; K208-D232 IonicContact NZ-OD1 2.68Å; K208-D232 PolarHBondContact NZ-OD1 3.3Å; K208-D232 IonicContact NZ-OD2 3.73Å; K208-D232 PolarHBondContact NZ-OD2 2.92Å; L228-D232 PolarHBondContact O-N 3.27Å; E229-D232 WeakPolarHBondContact O-CB 3.34Å; E229-D232 PolarHBondContact O-N 3.45Å; E230-D232 VanDerWaalsContact C-N 3.26Å; E230-D232 PolarHBondContact O-N 3.41Å; D232-N234 VanDerWaalsContact C-N 3.27Å; D232-N234 PolarHBondContact O-N 2.85Å; D232-R235 WeakPolarHBondContact O-CB 3.43Å; D232-R235 PolarHBondContact O-N 2.94Å; D232-Y236 HydrophobicContact CB-CD2 4.41Å; D232-Y236 HydrophobicContact CB-CE2 4.18Å; D232-Y236 WeakPolarHBondContact O-CD2 3.35Å; D232-Y236 PolarHBondContact O-N 2.75Å; D232-Y236 VanDerWaalsContact O-N 3.09Å
233	R	54.7	Low	60.7	Low	158 Å²	158	88.8 Å²	88.8	60%	0.596	43%	0.428	S	S	*	.	H	α-helix	trans	-57.2	-40.7	-178.5	-67.9	179	-167.9	-177.7	8	112.3	E229 E230 R235 Y236 S237	E229-R233 PolarHBondContact O-N 3.22Å; E229-R233 VanDerWaalsContact O-N 3.15Å; E229-R233 IonicContact OE2-NH2 3.29Å; E230-R233 PolarHBondContact O-N 3.49Å; R233-R235 VanDerWaalsContact C-N 3.31Å; R233-R235 PolarHBondContact O-N 3.47Å; R233-Y236 PolarHBondContact O-N 2.92Å; R233-S237 PolarHBondContact O-N 3.41Å; R233-S237 PolarHBondContact O-OG 2.94Å
234	N	54.5	Low	59.2	Low	113 Å²	113	90.4 Å²	90.4	60%	0.604	44%	0.435	S	S	*	.	H	α-helix	trans	-69.4	-24.4	176.9	-74.8	11.7	0	0	0	113.6	E230 D232 S237	E230-N234 PolarHBondContact O-N 3.48Å; E230-N234 VanDerWaalsContact O-N 3.13Å; D232-N234 VanDerWaalsContact C-N 3.27Å; D232-N234 PolarHBondContact O-N 2.85Å; N234-S237 WeakPolarHBondContact CA-OG 3.36Å; N234-S237 PolarHBondContact O-OG 2.73Å; N234-S237 VanDerWaalsContact O-OG 3.09Å
235	R	53.2	Low	57.6	Low	127 Å²	127	94 Å²	94	48%	0.479	46%	0.462	S	S	.	.	H	α-helix	trans	-71.6	-50.7	171.1	-70.1	174.7	171.1	-156.7	0.6	110.4	E204 D232 R233 S237 D238 E239	E204-R235 IonicContact OE1-CZ 2.72Å; E204-R235 IonicContact OE1-NH1 2.89Å; E204-R235 PolarHBondContact OE1-NH1 3.39Å; E204-R235 IonicContact OE1-NH2 3.85Å; E204-R235 PolarHBondContact OE1-NH2 2.94Å; E204-R235 IonicContact OE2-NH1 3.25Å; E204-R235 PolarHBondContact OE2-NH1 3.49Å; D232-R235 WeakPolarHBondContact O-CB 3.43Å; D232-R235 PolarHBondContact O-N 2.94Å; R233-R235 VanDerWaalsContact C-N 3.31Å; R233-R235 PolarHBondContact O-N 3.47Å; R235-S237 VanDerWaalsContact C-N 3.31Å; R235-S237 PolarHBondContact O-N 2.7Å; R235-D238 PolarHBondContact O-N 3.33Å; R235-E239 PolarHBondContact O-N 2.93Å
236	Y	52.7	Low	55.8	Low	151 Å²	151	101.1 Å²	101.1	59%	0.592	49%	0.494	S	S	*	.	H	α-helix	trans	-63.1	-34.8	-178.5	-69.6	-65.1	0	0	0	113	D232 R233 D238 E239 E240	D232-Y236 HydrophobicContact CB-CD2 4.41Å; D232-Y236 HydrophobicContact CB-CE2 4.18Å; D232-Y236 WeakPolarHBondContact O-CD2 3.35Å; D232-Y236 PolarHBondContact O-N 2.75Å; D232-Y236 VanDerWaalsContact O-N 3.09Å; R233-Y236 PolarHBondContact O-N 2.92Å; Y236-D238 VanDerWaalsContact C-N 3.34Å; Y236-D238 PolarHBondContact O-N 2.89Å; Y236-E239 PolarHBondContact O-N 3.08Å; Y236-E240 PolarHBondContact O-N 3.24Å
237	S	49.9	Very low	53.7	Low	49 Å²	49	101.4 Å²	101.4	34%	0.343	51%	0.508	S	S	.	.	H	α-helix	trans	-64.7	-34.8	176.6	58.3	0	0	0	0	113.8	R233 N234 R235 L241	R233-S237 PolarHBondContact O-N 3.41Å; R233-S237 PolarHBondContact O-OG 2.94Å; N234-S237 WeakPolarHBondContact CA-OG 3.36Å; N234-S237 PolarHBondContact O-OG 2.73Å; N234-S237 VanDerWaalsContact O-OG 3.09Å; R235-S237 VanDerWaalsContact C-N 3.31Å; R235-S237 PolarHBondContact O-N 2.7Å; S237-L241 WeakPolarHBondContact O-CD1 3.27Å; S237-L241 WeakPolarHBondContact O-CG 3.19Å; S237-L241 PolarHBondContact O-N 2.86Å
238	D	51.1	Low	51.9	Low	111 Å²	111	106.7 Å²	106.7	59%	0.594	55%	0.546	S	S	*	.	H	α-helix	trans	-74.8	-36.8	176.9	-79	-6.1	0	0	0	111.1	R235 Y236 V242	R235-D238 PolarHBondContact O-N 3.33Å; Y236-D238 VanDerWaalsContact C-N 3.34Å; Y236-D238 PolarHBondContact O-N 2.89Å; D238-V242 WeakPolarHBondContact O-CG2 3.39Å; D238-V242 PolarHBondContact O-N 2.98Å
239	E	52.3	Low	50.2	Low	120 Å²	120	109.4 Å²	109.4	56%	0.561	58%	0.578	S	S	*	*	H	α-helix	trans	-71.1	-38.2	177.9	-68.1	-172	164.5	0	0	113.2	R235 Y236 L241 V242 H243	R235-E239 PolarHBondContact O-N 2.93Å; Y236-E239 PolarHBondContact O-N 3.08Å; E239-L241 VanDerWaalsContact C-N 3.34Å; E239-L241 PolarHBondContact O-N 3.04Å; E239-V242 PolarHBondContact O-N 3.39Å; E239-H243 PolarHBondContact O-CD2 3.06Å; E239-H243 PolarHBondContact O-N 2.93Å; E239-H243 VanDerWaalsContact O-N 3.11Å
240	E	48.4	Very low	48.5	Very low	124 Å²	124	110.4 Å²	110.4	58%	0.579	59%	0.593	S	S	*	*	H	α-helix	trans	-63.4	-37.5	175	-75.8	-160	122.5	0	0	112.4	Y236 V242 H243 Q244	Y236-E240 PolarHBondContact O-N 3.24Å; E240-V242 VanDerWaalsContact C-N 3.35Å; E240-V242 PolarHBondContact O-N 3.44Å; E240-H243 PolarHBondContact O-N 3.46Å; E240-Q244 WeakPolarHBondContact O-CB 3.4Å; E240-Q244 WeakPolarHBondContact O-CG 3.47Å; E240-Q244 PolarHBondContact O-N 3.41Å
241	L	50.5	Low	47.1	Very low	121 Å²	121	113.2 Å²	113.2	63%	0.634	61%	0.61	S	S	*	*	H	α-helix	trans	-67.8	-33.3	177.4	-72.3	170.8	0	0	0	112.7	S237 E239 S245	S237-L241 WeakPolarHBondContact O-CD1 3.27Å; S237-L241 WeakPolarHBondContact O-CG 3.19Å; S237-L241 PolarHBondContact O-N 2.86Å; E239-L241 VanDerWaalsContact C-N 3.34Å; E239-L241 PolarHBondContact O-N 3.04Å; L241-S245 PolarHBondContact O-OG 3.04Å
242	V	48.3	Very low	45.8	Very low	89 Å²	89	116.6 Å²	116.6	54%	0.539	63%	0.632	S	S	.	*	H	α-helix	trans	-71.7	-32.7	174.8	172.6	0	0	0	0	111.8	D238 E239 E240 S245	D238-V242 WeakPolarHBondContact O-CG2 3.39Å; D238-V242 PolarHBondContact O-N 2.98Å; E239-V242 PolarHBondContact O-N 3.39Å; E240-V242 VanDerWaalsContact C-N 3.35Å; E240-V242 PolarHBondContact O-N 3.44Å; V242-S245 PolarHBondContact O-OG 3.46Å
243	H	46.2	Very low	44.5	Very low	150 Å²	150	120.7 Å²	120.7	69%	0.694	66%	0.662	S	S	*	*	H	α-helix	trans	-86.4	-33.4	179	-82	-66.8	0	0	0	114.8	E239 E240 S245	E239-H243 PolarHBondContact O-CD2 3.06Å; E239-H243 PolarHBondContact O-N 2.93Å; E239-H243 VanDerWaalsContact O-N 3.11Å; E240-H243 PolarHBondContact O-N 3.46Å; H243-S245 VanDerWaalsContact C-N 3.27Å; H243-S245 PolarHBondContact O-N 3.14Å
244	Q	43.9	Very low	43.6	Very low	138 Å²	138	121.9 Å²	121.9	65%	0.645	67%	0.674	S	S	*	*	H	α-helix	trans	-74.5	-15.1	179	-69.8	-177	25.8	0	0	113.8	E240 Q246	E240-Q244 WeakPolarHBondContact O-CB 3.4Å; E240-Q244 WeakPolarHBondContact O-CG 3.47Å; E240-Q244 PolarHBondContact O-N 3.41Å; Q244-Q246 VanDerWaalsContact C-N 3.3Å; Q244-Q246 PolarHBondContact O-N 2.95Å
245	S	43.6	Very low	42.5	Very low	92 Å²	92	123.8 Å²	123.8	64%	0.643	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	3	-179.4	46.8	0	0	0	0	115	L241 V242 H243	L241-S245 PolarHBondContact O-OG 3.04Å; V242-S245 PolarHBondContact O-OG 3.46Å; H243-S245 VanDerWaalsContact C-N 3.27Å; H243-S245 PolarHBondContact O-N 3.14Å
246	Q	43.8	Very low	41.8	Very low	165 Å²	165	127.4 Å²	127.4	77%	0.771	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.6	33.7	-174.9	-59.2	-168.1	24.9	0	0	115.7	Q244	Q244-Q246 VanDerWaalsContact C-N 3.3Å; Q244-Q246 PolarHBondContact O-N 2.95Å
247	S	33.7	Very low	41	Very low	102 Å²	102	124.5 Å²	124.5	71%	0.713	71%	0.705	S	S	*	*			trans	-148.5	78.1	175	62.6	0	0	0	0	116.1
248	S	38.4	Very low	40.5	Very low	129 Å²	129	130.8 Å²	130.8	90%	0.902	73%	0.729	S	S	*	*			trans	-153	126.2	155.4	60.5	0	0	0	0	112.2
249	G	37.8	Very low	39.8	Very low	75 Å²	75	129.1 Å²	129.1	77%	0.773	74%	0.738	S	S	*	*			trans	145.6	94.7	-179.6	0	0	0	0	0	113.7
250	P	36.3	Very low	39	Very low	116 Å²	116	132.9 Å²	132.9	75%	0.753	76%	0.756	S	S	*	*			trans	-92	140.2	-175.9	34.1	-33	0	0	0	114.3
251	I	32.9	Very low	38.6	Very low	155 Å²	155	131.9 Å²	131.9	80%	0.795	77%	0.768	S	S	*	*			trans	58.7	105.1	149	-52.2	163.6	0	0	0	117.1
252	C	32.8	Very low	38	Very low	131 Å²	131	135.5 Å²	135.5	89%	0.885	78%	0.782	S	S	*	*				-160.1	156	112	-122.6	0	0	0	0	111.8
253	C	28.9	Very low	37.6	Very low	118 Å²	118	137 Å²	137	80%	0.797	80%	0.796	S	S	*	*			trans	-106.8	145.4	-176.7	-51	0	0	0	0	110.8
254	E	36.4	Very low	37.2	Very low	183 Å²	183	137.2 Å²	137.2	86%	0.855	80%	0.803	S	S	*	*				-172.8	157.6	115	-105.6	-176.8	-166.4	0	0	112.1
255	N	30.8	Very low	37.2	Very low	153 Å²	153	138.7 Å²	138.7	82%	0.818	82%	0.815	S	S	*	*			trans	-94.4	147.1	-173.5	-52.7	-57.9	0	0	0	112.1
256	K	39.7	Very low	36.9	Very low	204 Å²	204	141.7 Å²	141.7	89%	0.887	82%	0.824	S	S	*	*			trans	-154	155.4	140.5	-110.2	136.8	-168.4	164.5	0	112.8
257	S	35.9	Very low	36.8	Very low	89 Å²	89	143.2 Å²	143.2	62%	0.622	83%	0.828	S	S	*	*			trans	-101.5	-177	-169.4	40.4	0	0	0	0	112.4
258	E	39.8	Very low	37	Very low	182 Å²	182	147 Å²	147	85%	0.85	84%	0.835	S	S	*	*			trans	74.3	142.6	173.4	-56.5	126.8	-105.8	0	0	115.2
259	G	35.3	Very low	37.2	Very low	75 Å²	75	148.3 Å²	148.3	77%	0.773	83%	0.826	S	S	*	*			cis	-171.6	168.2	-1.2	0	0	0	0	0	113.6
260	E	36.7	Very low	37.2	Very low	200 Å²	200	152.8 Å²	152.8	94%	0.935	83%	0.827	S	S	*	*			trans	-55.7	141.9	-175.9	-58.1	160.4	166.7	0	0	115.2
261	A	38.9	Very low	37.2	Very low	103 Å²	103	155.6 Å²	155.6	85%	0.851	83%	0.827	S	S	*	*			trans	-167.1	151.2	141.8	0	0	0	0	0	111.8
262	E	37.8	Very low	37.5	Very low	197 Å²	197	155.8 Å²	155.8	92%	0.921	83%	0.829	S	S	*	*			trans	-105.7	149.4	178.8	-56.3	165.2	134.2	0	0	111.2
263	S	39.6	Very low	37.7	Very low	120 Å²	120	155.9 Å²	155.9	84%	0.839	82%	0.821	S	S	*	*			trans	-170.9	135.5	150.4	55	0	0	0	0	112
264	D	39.2	Very low	38.2	Very low	154 Å²	154	156.6 Å²	156.6	82%	0.824	82%	0.822	S	S	*	*			trans	-73.8	159.2	169.6	-48.5	-87.8	0	0	0	112.6
265	D	42.3	Very low	38.3	Very low	169 Å²	169	155.4 Å²	155.4	90%	0.904	82%	0.816	S	S	*	*			trans	-172	147.2	135.4	-105.5	-29.2	0	0	0	112
266	D	38.7	Very low	38.7	Very low	155 Å²	155	155.8 Å²	155.8	83%	0.829	82%	0.818	S	S	*	*			trans	-82	144.3	178.4	-72.1	-63.5	0	0	0	112.8
267	F	41.4	Very low	38.5	Very low	197 Å²	197	150.9 Å²	150.9	86%	0.864	81%	0.805	S	S	*	*			trans	-157.4	134.1	156.2	-111.9	-75.7	0	0	0	114.4
268	E	37.6	Very low	38.7	Very low	183 Å²	183	158.3 Å²	158.3	86%	0.855	82%	0.819	S	S	*	*			trans	-100.4	143.6	166.7	-73.9	-162.9	167.4	0	0	111.9
269	H	41.6	Very low	38.6	Very low	156 Å²	156	159 Å²	159	72%	0.722	82%	0.819	S	S	*	*			trans	-166.8	150.9	160.7	-94.7	-84.8	0	0	0	107.9
270	E	39.7	Very low	38.9	Very low	168 Å²	168	162.1 Å²	162.1	79%	0.785	82%	0.823	S	S	*	*			cis	-162.3	-171.6	-24	-145.7	176.7	171.7	0	0	109
271	K	35.5	Very low	38.9	Very low	175 Å²	175	160.6 Å²	160.6	76%	0.761	82%	0.818	S	S	*	*			trans	-129	144.9	176.9	-58	-173.6	-168.7	88.7	0	113.2
272	L	39.3	Very low	39.1	Very low	160 Å²	160	160.5 Å²	160.5	84%	0.838	81%	0.809	S	S	*	*			trans	-148.7	135.2	145.5	-69.5	178	0	0	0	106.1
273	D	37.3	Very low	39	Very low	133 Å²	133	159.4 Å²	159.4	71%	0.711	80%	0.803	S	S	*	*			cis	71.3	137.3	50	-55.8	-32.5	0	0	0	111.8
274	T	38.6	Very low	39.1	Very low	133 Å²	133	158 Å²	158	82%	0.816	79%	0.792	S	S	*	*			cis	-154.1	173.5	33.8	-42.8	0	0	0	0	112.8
275	E	39.4	Very low	38.9	Very low	157 Å²	157	157.8 Å²	157.8	73%	0.734	79%	0.79	S	S	*	*			trans	-70.6	171.9	176	-43.8	171.3	90.4	0	0	116.2
276	L	39.2	Very low	38.6	Very low	162 Å²	162	157.7 Å²	157.7	85%	0.848	78%	0.784	S	S	*	*				-167.9	159.4	109.9	-103.3	167	0	0	0	114.2
277	T	34.5	Very low	38.3	Very low	101 Å²	101	155.2 Å²	155.2	62%	0.62	78%	0.775	S	S	*	*			trans	-126.5	162.1	-167.8	62.1	0	0	0	0	114.1
278	R	41.3	Very low	37.9	Very low	245 Å²	245	155 Å²	155	93%	0.925	78%	0.776	S	S	*	*				-171.6	170.5	128.2	-99.6	153.7	-165.2	-158.1	2.4	113.9
279	K	37.5	Very low	37.5	Very low	195 Å²	195	149.7 Å²	149.7	85%	0.848	77%	0.771	S	S	*	*			trans	-114.5	165.3	-161.7	-58.3	172	177.7	175.6	0	113
280	V	41.4	Very low	37.1	Very low	142 Å²	142	147.7 Å²	147.7	86%	0.861	77%	0.774	S	S	*	*			trans	143.6	142.3	131.6	171	0	0	0	0	112.6
281	M	37.3	Very low	36.6	Very low	168 Å²	168	145.8 Å²	145.8	83%	0.828	77%	0.774	S	S	*	*			trans	-108.5	-168.1	-179.1	-49.7	168.7	59.6	0	0	109.6
282	P	41.1	Very low	36.5	Very low	100 Å²	100	143.6 Å²	143.6	65%	0.649	78%	0.775	S	S	*	*			cis	-141.2	-178.5	-5.1	43.5	-25.3	0	0	0	116.7
283	E	37.2	Very low	36.1	Very low	174 Å²	174	142.2 Å²	142.2	81%	0.813	76%	0.764	S	S	*	*			trans	69.4	159	146.2	-77.2	-80.8	95.9	0	0	119.4
284	P	40.8	Very low	35.8	Very low	92 Å²	92	142.3 Å²	142.3	60%	0.597	77%	0.774	S	S	*	*			trans	-137.3	-171.2	-132.6	38.5	-16.8	0	0	0	116
285	L	34.6	Very low	35.8	Very low	149 Å²	149	145.7 Å²	145.7	78%	0.78	77%	0.772	S	S	*	*			trans	132.2	145.3	145.6	-73.9	170.6	0	0	0	116.1
286	Q	37.5	Very low	35.5	Very low	166 Å²	166	143.9 Å²	143.9	78%	0.776	77%	0.772	S	S	*	*			trans	77.8	107.4	148.8	-78	174.8	39.3	0	0	122.2
287	T	31.2	Very low	35.5	Very low	104 Å²	104	143.2 Å²	143.2	64%	0.638	78%	0.775	S	S	*	*				95.3	103.4	119	-55.4	0	0	0	0	120.1
288	Q	33.3	Very low	35.6	Very low	192 Å²	192	145.4 Å²	145.4	90%	0.897	78%	0.783	S	S	*	*			trans	44.7	128.7	135.4	-54.3	173.8	11	0	0	120.8
289	G	29.7	Very low	35.5	Very low	72 Å²	72	143.9 Å²	143.9	74%	0.742	78%	0.777	S	S	*	*			trans	170.2	106.8	159.4	0	0	0	0	0	116.7
290	S	32	Very low	35.6	Very low	113 Å²	113	143.8 Å²	143.8	79%	0.79	77%	0.771	S	S	*	*			trans	32.6	119.6	152.5	59.2	0	0	0	0	121.9
291	T	29.7	Very low	35.4	Very low	129 Å²	129	143.5 Å²	143.5	79%	0.791	77%	0.77	S	S	*	*			trans	-13.6	142.3	137.7	51.4	0	0	0	0	118.8
292	V	34.2	Very low	35.5	Very low	128 Å²	128	145.2 Å²	145.2	78%	0.776	77%	0.767	S	S	*	*				-171.4	147.2	128.5	133.3	0	0	0	0	112.7
293	E	30.6	Very low	35.4	Very low	131 Å²	131	146 Å²	146	61%	0.612	77%	0.77	S	S	*	*			trans	44.3	124.6	164.6	-77.5	176	-130.8	0	0	122.1	R295	E293-R295 IonicContact OE2-CZ 3.65Å; E293-R295 IonicContact OE2-NE 3.59Å; E293-R295 PolarHBondContact OE2-NE 3.38Å; E293-R295 IonicContact OE2-NH2 2.8Å; E293-R295 PolarHBondContact OE2-NH2 3.49Å
294	C	31.8	Very low	35.6	Very low	135 Å²	135	143.6 Å²	143.6	91%	0.912	76%	0.759	S	S	*	*			trans	-126.1	147.2	133.2	-162.3	0	0	0	0	108.9
295	R	38	Very low	35.6	Very low	205 Å²	205	143.7 Å²	143.7	77%	0.774	76%	0.761	S	S	*	*			trans	-99.2	147.8	-158.4	-71.3	-178	175.4	168.6	0.1	115.1	E293	E293-R295 IonicContact OE2-CZ 3.65Å; E293-R295 IonicContact OE2-NE 3.59Å; E293-R295 PolarHBondContact OE2-NE 3.38Å; E293-R295 IonicContact OE2-NH2 2.8Å; E293-R295 PolarHBondContact OE2-NH2 3.49Å
296	T	32.6	Very low	35.9	Very low	119 Å²	119	144 Å²	144	73%	0.73	76%	0.764	S	S	*	*			trans	-80	151.1	175	46	0	0	0	0	113
297	T	39.5	Very low	36.2	Very low	148 Å²	148	145.4 Å²	145.4	91%	0.908	77%	0.768	S	S	*	*			trans	-136.3	148.5	145.3	50	0	0	0	0	109.6
298	N	37.1	Very low	36.7	Very low	147 Å²	147	145.6 Å²	145.6	79%	0.786	77%	0.773	S	S	*	*			trans	-117.1	150.4	-167.4	-74.8	-66.6	0	0	0	112.5
299	R	37.4	Very low	37	Very low	212 Å²	212	139.4 Å²	139.4	80%	0.8	76%	0.761	S	S	*	*			trans	-163	110.5	131.9	-118	175.5	173.8	179.5	-3.3	117.3
300	R	39.9	Very low	37.5	Very low	194 Å²	194	141.5 Å²	141.5	73%	0.732	76%	0.764	S	S	*	*				55.7	104.1	127.5	-67.9	-177.4	-169.7	-176	-0.9	118.8
301	T	37	Very low	37.7	Very low	135 Å²	135	141.7 Å²	141.7	83%	0.828	77%	0.766	S	S	*	*				67.8	132.7	88	62.6	0	0	0	0	114.8
302	R	41.2	Very low	38	Very low	204 Å²	204	140 Å²	140	77%	0.77	77%	0.765	S	S	*	*				-163.8	163.1	65	177.3	174.2	167.9	172.1	-3.8	114.1	E304	R302-E304 WeakPolarHBondContact CG-OE1 3.39Å; R302-E304 IonicContact CZ-OE1 3.58Å; R302-E304 IonicContact CZ-OE2 2.71Å; R302-E304 IonicContact NE-OE1 2.83Å; R302-E304 PolarHBondContact NE-OE1 3.41Å; R302-E304 IonicContact NE-OE2 3.65Å; R302-E304 IonicContact NH2-OE1 2.75Å; R302-E304 PolarHBondContact NH2-OE1 3.06Å; R302-E304 IonicContact NH2-OE2 3.52Å; R302-E304 PolarHBondContact NH2-OE2 3.17Å
303	T	37.4	Very low	38.4	Very low	116 Å²	116	139.6 Å²	139.6	71%	0.712	76%	0.764	S	S	*	*			trans	-56.5	-176.3	167.1	41.8	0	0	0	0	114.4
304	E	41.4	Very low	38.6	Very low	125 Å²	125	138 Å²	138	58%	0.584	77%	0.768	S	S	*	*			cis	-152.2	164.6	26.8	-71.7	94.4	-93.8	0	0	109.3	R302	R302-E304 WeakPolarHBondContact CG-OE1 3.39Å; R302-E304 IonicContact CZ-OE1 3.58Å; R302-E304 IonicContact CZ-OE2 2.71Å; R302-E304 IonicContact NE-OE1 2.83Å; R302-E304 PolarHBondContact NE-OE1 3.41Å; R302-E304 IonicContact NE-OE2 3.65Å; R302-E304 IonicContact NH2-OE1 2.75Å; R302-E304 PolarHBondContact NH2-OE1 3.06Å; R302-E304 IonicContact NH2-OE2 3.52Å; R302-E304 PolarHBondContact NH2-OE2 3.17Å
305	S	41.2	Very low	39	Very low	93 Å²	93	140.1 Å²	140.1	65%	0.65	77%	0.765	S	S	*	*			cis	-176.6	162.9	-22.9	57.7	0	0	0	0	112.5
306	N	42	Very low	38.9	Very low	155 Å²	155	134.9 Å²	134.9	83%	0.829	76%	0.759	S	S	*	*			trans	79.7	160.1	168.6	-49.2	-60.6	0	0	0	118.6
307	K	42.5	Very low	39.3	Very low	197 Å²	197	134.8 Å²	134.8	86%	0.857	76%	0.764	S	S	*	*			cis	-151.5	160.9	17.8	-166.2	167.6	178.2	179.9	0	114.9
308	S	42.2	Very low	39.3	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	76%	0.762	S	S	*	*			trans	-48.9	166	-179.2	56.3	0	0	0	0	120.4
309	G	39.4	Very low	39.6	Very low	63 Å²	63	135.3 Å²	135.3	65%	0.649	76%	0.764	S	S	*	*			cis	153.2	-169.7	-1.4	0	0	0	0	0	115.1
310	S	40	Very low	39.9	Very low	115 Å²	115	129.7 Å²	129.7	80%	0.804	76%	0.757	S	S	*	*			trans	63.9	122.6	172.9	44.2	0	0	0	0	118.4
311	S	36.9	Very low	39.9	Very low	118 Å²	118	127.7 Å²	127.7	83%	0.825	76%	0.761	S	S	*	*				77.5	143.7	62.6	81.1	0	0	0	0	114.2
312	A	36.7	Very low	40.2	Very low	94 Å²	94	126.9 Å²	126.9	78%	0.777	76%	0.761	S	S	*	*			cis	-155.9	-177	11.1	0	0	0	0	0	110.7
313	P	41.4	Very low	40	Very low	118 Å²	118	124.4 Å²	124.4	77%	0.766	76%	0.763	S	S	*	*			trans	-108	179.7	-167.4	41.4	-36.3	0	0	0	117.5
314	S	34.5	Very low	40	Very low	99 Å²	99	124.2 Å²	124.2	69%	0.692	77%	0.766	S	S	*	*			trans	108.3	149.1	155.3	80.4	0	0	0	0	119.7
315	Q	40.1	Very low	39.8	Very low	179 Å²	179	121.8 Å²	121.8	84%	0.836	78%	0.775	S	S	*	*			trans	70.7	153.3	167.3	-60.7	174.2	58.3	0	0	118
316	S	35.8	Very low	39.6	Very low	95 Å²	95	123.4 Å²	123.4	66%	0.664	79%	0.786	S	S	*	*			cis	-176	137	-30.5	54.5	0	0	0	0	111.8
317	S	40.9	Very low	39.6	Very low	117 Å²	117	120.8 Å²	120.8	82%	0.818	78%	0.78	S	S	*	*			trans	175.7	135.4	154.6	22.7	0	0	0	0	108.5
318	Q	40.2	Very low	39.3	Very low	188 Å²	188	116 Å²	116	88%	0.879	77%	0.771	S	S	*	*			cis	87.6	94.6	20.8	-71.8	-162.9	-51.4	0	0	118.5
319	S	43.5	Very low	39.3	Very low	118 Å²	118	118.8 Å²	118.8	83%	0.825	78%	0.778	S	S	*	*			trans	174.5	153	132	53.9	0	0	0	0	109.2
320	S	43.7	Very low	39.2	Very low	94 Å²	94	123 Å²	123	66%	0.657	79%	0.786	S	S	*	*			cis	-170.3	117.5	-25.1	48.4	0	0	0	0	106.1
321	D	39.2	Very low	39.3	Very low	151 Å²	151	126.6 Å²	126.6	81%	0.807	79%	0.79	S	S	*	*				74.7	148.5	91.2	-63.3	-52.2	0	0	0	116.3
322	S	43.7	Very low	39.2	Very low	118 Å²	118	124.7 Å²	124.7	83%	0.825	78%	0.781	S	S	*	*			trans	94.5	149	168.9	-33.6	0	0	0	0	118.8
323	D	37.7	Very low	39	Very low	152 Å²	152	128.2 Å²	128.2	81%	0.813	79%	0.787	S	S	*	*			cis	-161.2	-174	-46.8	-139.7	-62.2	0	0	0	110.5
324	S	36.3	Very low	38.7	Very low	112 Å²	112	130.9 Å²	130.9	78%	0.783	79%	0.789	S	S	*	*			trans	-83	165.9	-168.3	51.7	0	0	0	0	117.7
325	G	38.9	Very low	38.5	Very low	74 Å²	74	131.2 Å²	131.2	76%	0.763	79%	0.791	S	S	*	*			trans	145.2	120.1	172.9	0	0	0	0	0	111.7
326	S	36.2	Very low	38.3	Very low	127 Å²	127	128.8 Å²	128.8	89%	0.888	79%	0.789	S	S	*	*			cis	89.1	78.6	15.4	-161.6	0	0	0	0	117.5
327	S	42.1	Very low	38.1	Very low	101 Å²	101	133.6 Å²	133.6	71%	0.706	80%	0.798	S	S	*	*			trans	-154.4	130.8	148.5	-146.5	0	0	0	0	105.2
328	S	35.6	Very low	38	Very low	95 Å²	95	133.5 Å²	133.5	66%	0.664	80%	0.797	S	S	*	*			cis	61.1	100.7	39	79	0	0	0	0	114
329	D	41.9	Very low	37.7	Very low	167 Å²	167	131.8 Å²	131.8	89%	0.893	79%	0.787	S	S	*	*			trans	-142	129.4	144.8	-85.8	-45.3	0	0	0	106.1
330	D	37.3	Very low	37.5	Very low	152 Å²	152	132.4 Å²	132.4	81%	0.813	79%	0.786	S	S	*	*			trans	-83.5	151.1	176.7	-62.7	-95	0	0	0	110.8
331	E	43.8	Very low	37.1	Very low	189 Å²	189	134.5 Å²	134.5	88%	0.883	79%	0.785	S	S	*	*			trans	-152.9	146.4	134	-90.6	-48.2	166.1	0	0	109.6
332	A	34.1	Very low	37.2	Very low	78 Å²	78	133.4 Å²	133.4	65%	0.645	78%	0.784	S	S	*	*			trans	-141	154.5	-176.5	0	0	0	0	0	111.9
333	D	31.6	Very low	36.9	Very low	168 Å²	168	134.6 Å²	134.6	90%	0.898	78%	0.776	S	S	*	*			trans	61.8	155.1	-171.1	-62.9	-42.2	0	0	0	112.9
334	E	34.8	Very low	37	Very low	175 Å²	175	133.4 Å²	133.4	82%	0.818	77%	0.766	S	S	*	*			cis	-143.8	157.9	29.6	-174	179.4	-173.4	0	0	112.3
335	S	31.6	Very low	37.1	Very low	106 Å²	106	135.8 Å²	135.8	74%	0.741	76%	0.762	S	S	*	*			trans	-82.5	129.3	177.3	60.2	0	0	0	0	114.1
336	T	36	Very low	37	Very low	127 Å²	127	136.4 Å²	136.4	78%	0.779	75%	0.754	S	S	*	*			trans	-154.3	72	164.3	3	0	0	0	0	117.2	S338	T336-S338 PolarHBondContact O-N 2.99Å
337	K	30.5	Very low	37.1	Very low	197 Å²	197	137.9 Å²	137.9	86%	0.857	75%	0.752	S	S	*	*			trans	13.3	104	134	-172.3	-177.6	-174.2	174.8	0	119.5
338	S	39.5	Very low	36.8	Very low	114 Å²	114	141.1 Å²	141.1	80%	0.797	76%	0.756	S	S	*	*			trans	-157.6	137.4	147.5	57.2	0	0	0	0	108.8	T336	T336-S338 PolarHBondContact O-N 2.99Å
339	K	34.1	Very low	36.8	Very low	153 Å²	153	143.9 Å²	143.9	67%	0.665	76%	0.763	S	S	*	*			cis	99.2	82.7	1.9	-150.8	179.5	-167.5	-84.3	0	118.9	E341	K339-E341 IonicContact NZ-OE1 2.57Å; K339-E341 PolarHBondContact NZ-OE1 2.89Å
340	T	38.4	Very low	36.3	Very low	131 Å²	131	138.6 Å²	138.6	80%	0.804	75%	0.748	S	S	*	*			trans	-153.1	119.5	149.2	23.4	0	0	0	0	105.3
341	E	36.3	Very low	36	Very low	137 Å²	137	138.6 Å²	138.6	64%	0.64	75%	0.748	S	S	*	*				62	114.6	59.4	-57.6	178.9	-168.5	0	0	110.2	K339	K339-E341 IonicContact NZ-OE1 2.57Å; K339-E341 PolarHBondContact NZ-OE1 2.89Å
342	V	40.7	Very low	35.5	Very low	129 Å²	129	134.8 Å²	134.8	78%	0.782	74%	0.737	S	S	*	*				-168.2	149.2	59.8	157.8	0	0	0	0	107.9
343	E	38.3	Very low	35.7	Very low	143 Å²	143	139.1 Å²	139.1	67%	0.668	74%	0.744	S	S	*	*			cis	-171.1	161.9	-14.5	-107.1	-150.1	94.6	0	0	110.8
344	Q	39.4	Very low	35.7	Very low	126 Å²	126	136.7 Å²	136.7	59%	0.589	73%	0.731	S	S	*	*			trans	63.3	142.1	153.3	-68	174.6	47.2	0	0	120
345	K	38	Very low	35.7	Very low	163 Å²	163	134.7 Å²	134.7	71%	0.709	73%	0.731	S	S	*	*			cis	-158.5	129.9	9.2	-125.4	170.1	-176.1	134.7	0	112.7
346	S	37.4	Very low	36	Very low	86 Å²	86	133.7 Å²	133.7	60%	0.601	73%	0.729	S	S	*	*				45.4	136.3	127.2	68.5	0	0	0	0	121.4
347	N	38.6	Very low	35.9	Very low	158 Å²	158	138.4 Å²	138.4	85%	0.845	73%	0.732	S	S	*	*			cis	-147.4	153.5	25.9	-107.8	-18.4	0	0	0	116.1
348	E	34.9	Very low	36.3	Very low	169 Å²	169	133.9 Å²	133.9	79%	0.79	73%	0.725	S	S	*	*			trans	-149.5	167.7	-174.7	-76.4	172.3	92.9	0	0	106.8
349	L	36.5	Very low	36.3	Very low	153 Å²	153	135.8 Å²	135.8	80%	0.801	72%	0.722	S	S	*	*			cis	-158.1	-174.4	-11	-107.2	168.8	0	0	0	104.3
350	G	31.4	Very low	36.7	Very low	56 Å²	56	134.1 Å²	134.1	58%	0.577	72%	0.724	S	S	*	*			cis	141.1	113.2	-2.7	0	0	0	0	0	112.8
351	N	31.3	Very low	36.9	Very low	152 Å²	152	133.8 Å²	133.8	81%	0.813	72%	0.718	S	S	*	*			trans	68.3	134.9	164.4	-125.3	39.3	0	0	0	121
352	T	33	Very low	37.5	Very low	109 Å²	109	135 Å²	135	67%	0.669	72%	0.724	S	S	*	*			trans	35.1	127.8	140.4	57.4	0	0	0	0	123.4
353	H	37.3	Very low	37.8	Very low	169 Å²	169	135.1 Å²	135.1	78%	0.782	72%	0.72	S	S	*	*				-169.8	139.8	113.2	-143.7	-110.6	0	0	0	113.9
354	D	32.4	Very low	38.4	Very low	117 Å²	117	134.8 Å²	134.8	63%	0.626	72%	0.722	S	S	*	*			trans	30.9	133.3	150.5	-74.6	-138.1	0	0	0	128.4
355	V	35.3	Very low	38.7	Very low	134 Å²	134	135.2 Å²	135.2	81%	0.812	73%	0.729	S	S	*	*				83.2	141	125.3	169.8	0	0	0	0	122.6
356	A	37	Very low	39.2	Very low	85 Å²	85	134 Å²	134	70%	0.702	73%	0.73	S	S	*	*			trans	85.4	86.3	160.1	0	0	0	0	0	121.2
357	R	34.6	Very low	39.3	Very low	225 Å²	225	136.6 Å²	136.6	85%	0.849	74%	0.742	S	S	*	*				63	149.9	112.7	-164.9	175.4	-176	173.4	2.8	120.6
358	S	38.9	Very low	39.5	Very low	102 Å²	102	134.4 Å²	134.4	71%	0.713	74%	0.736	S	S	*	*			trans	75.4	137	168.2	68.8	0	0	0	0	116.3
359	E	38.3	Very low	39.6	Very low	154 Å²	154	133 Å²	133	72%	0.72	74%	0.739	S	S	*	*			cis	-169.2	155.4	-19.4	-136.3	144.6	-113.3	0	0	110.5
360	V	43	Very low	40.1	Very low	119 Å²	119	130.9 Å²	130.9	72%	0.721	74%	0.735	S	S	*	*			trans	53.5	159.8	163.2	-88.8	0	0	0	0	120.6
361	D	43.3	Very low	40.4	Very low	124 Å²	124	133.6 Å²	133.6	66%	0.663	74%	0.74	S	S	*	*			cis	-130.2	141.1	1.1	-77.1	-55.6	0	0	0	109.4
362	E	47.4	Very low	40.8	Very low	163 Å²	163	132.5 Å²	132.5	76%	0.762	74%	0.739	S	S	*	*				68.2	141.8	97.6	-47.9	-168.9	146.7	0	0	114.8
363	D	48.1	Very low	41.1	Very low	131 Å²	131	131.5 Å²	131.5	70%	0.701	74%	0.742	S	S	*	*			cis	-145.9	163	26.3	-76.5	-62.1	0	0	0	114.6
364	D	51.1	Low	41.2	Very low	136 Å²	136	132.9 Å²	132.9	73%	0.727	75%	0.749	S	S	*	*			trans	59.7	136.9	140.6	-68.2	1.7	0	0	0	124.4
365	D	45.7	Very low	41.5	Very low	135 Å²	135	132.8 Å²	132.8	72%	0.722	76%	0.757	S	S	*	*			cis	-164	165.3	-12.2	-147	-9.1	0	0	0	115.3
366	D	46.9	Very low	42	Very low	138 Å²	138	131 Å²	131	74%	0.738	75%	0.749	S	S	*	*			trans	68.8	111	148.8	-124.1	-15.8	0	0	0	123.7
367	V	40.6	Very low	42	Very low	139 Å²	139	138.7 Å²	138.7	84%	0.842	76%	0.759	S	S	*	*			trans	-154.6	121	174.2	-177.2	0	0	0	0	115.1
368	P	42.4	Very low	42	Very low	113 Å²	113	131.5 Å²	131.5	73%	0.734	76%	0.756	S	S	*	*			trans	-131.8	177.5	167.4	34.1	-17.3	0	0	0	117.8
369	T	36.3	Very low	41.7	Very low	138 Å²	138	133 Å²	133	85%	0.847	76%	0.764	S	S	*	*			trans	-144.1	-168.4	175	17.7	0	0	0	0	108.8
370	P	47.9	Very low	41.3	Very low	110 Å²	110	134.5 Å²	134.5	71%	0.714	77%	0.769	S	S	*	*			cis	-122.9	-158.8	-2.6	28.4	-2	0	0	0	112.1
371	T	37.3	Very low	40.9	Very low	112 Å²	112	135.9 Å²	135.9	69%	0.687	77%	0.772	S	S	*	*			cis	-174.1	163.1	41.4	-29.8	0	0	0	0	113.6
372	T	39.3	Very low	40.4	Very low	130 Å²	130	139.1 Å²	139.1	80%	0.798	78%	0.783	S	S	*	*			trans	73.2	121.6	153.3	28.2	0	0	0	0	123.8
373	A	39.8	Very low	39.8	Very low	87 Å²	87	139.3 Å²	139.3	72%	0.719	79%	0.789	S	S	*	*				99.1	123.9	124.9	0	0	0	0	0	123.1
374	E	39.3	Very low	39.1	Very low	199 Å²	199	138.4 Å²	138.4	93%	0.93	79%	0.794	S	S	*	*			trans	78.5	164.9	149.2	-68.9	179.8	-154.7	0	0	121.9
375	S	39.3	Very low	38.4	Very low	115 Å²	115	137.6 Å²	137.6	80%	0.804	80%	0.799	S	S	*	*			trans	-156.7	-171.1	-146.9	-146.9	0	0	0	0	108.7
376	P	46	Very low	37.7	Very low	97 Å²	97	137.8 Å²	137.8	63%	0.63	80%	0.804	S	S	*	*			cis	-146.4	-169.2	4.7	43.7	-22.5	0	0	0	117.9
377	R	36.7	Very low	37.2	Very low	245 Å²	245	136.8 Å²	136.8	93%	0.925	81%	0.808	S	S	*	*			trans	83	126.5	155.8	-66.4	164.4	-165.5	-147.3	1.2	119.6
378	G	34	Very low	36.9	Very low	75 Å²	75	138.8 Å²	138.8	77%	0.773	81%	0.81	S	S	*	*			trans	152.8	52.7	168	0	0	0	0	0	114.7
379	C	32	Very low	36.8	Very low	133 Å²	133	141.7 Å²	141.7	90%	0.899	82%	0.818	S	S	*	*			trans	-70.5	160.5	-169	-58.8	0	0	0	0	114.8
380	K	30.4	Very low	36.7	Very low	186 Å²	186	143 Å²	143	81%	0.809	82%	0.818	S	S	*	*			trans	-147.6	152	-179.2	-106.5	-168.7	178.3	-170.8	0	110.6
381	N	34.4	Very low	35.8	Very low	148 Å²	148	141.1 Å²	141.1	79%	0.791	82%	0.819	S	S	*	*			trans	65.7	126.2	162.7	-54.7	8	0	0	0	117.5
382	E	34.2	Very low	35.8	Very low	191 Å²	191	141.6 Å²	141.6	89%	0.893	83%	0.826	S	S	*	*			trans	-130.6	129.7	147.3	-72.3	-179.4	-143.6	0	0	106.6
383	D	33.9	Very low	35.5	Very low	167 Å²	167	142.7 Å²	142.7	89%	0.893	83%	0.826	S	S	*	*			trans	-168.3	141.5	161.2	-120.2	-30	0	0	0	110.9
384	S	34.5	Very low	35.3	Very low	113 Å²	113	145 Å²	145	79%	0.79	83%	0.826	S	S	*	*			trans	56.4	110	168.9	-164.1	0	0	0	0	120.5
385	S	35.4	Very low	35.1	Very low	119 Å²	119	142.2 Å²	142.2	83%	0.832	82%	0.818	S	S	*	*				-153.6	148.9	128.1	58.9	0	0	0	0	110.2
386	V	31.6	Very low	35	Very low	139 Å²	139	142.4 Å²	142.4	84%	0.842	81%	0.814	S	S	*	*			trans	-118	137.2	-175.1	175.3	0	0	0	0	110.2
387	S	36.4	Very low	34.7	Very low	117 Å²	117	142.9 Å²	142.9	82%	0.818	82%	0.82	S	S	*	*			trans	-153	139.5	160.6	51.4	0	0	0	0	112
388	M	33.6	Very low	34.7	Very low	180 Å²	180	137.3 Å²	137.3	89%	0.887	81%	0.813	S	S	*	*			trans	-82.1	159.9	171.4	-55.5	173.1	-178.2	0	0	110.5
389	I	39.6	Very low	35	Very low	175 Å²	175	143.6 Å²	143.6	90%	0.897	82%	0.819	S	S	*	*			trans	-166.4	161.9	142.6	-104.7	153.1	0	0	0	110.7
390	I	34.1	Very low	35.4	Very low	166 Å²	166	145.6 Å²	145.6	85%	0.851	81%	0.814	S	S	*	*			trans	-109.9	132.7	-161.2	-64.6	160.1	0	0	0	112.7
391	G	29.2	Very low	35.8	Very low	70 Å²	70	142 Å²	142	72%	0.722	81%	0.81	S	S	*	*			trans	86.7	169.2	136.1	0	0	0	0	0	121.9
392	S	37.3	Very low	36.1	Very low	121 Å²	121	141.4 Å²	141.4	85%	0.846	81%	0.805	S	S	*	*			trans	83.2	84.1	158.2	-58.8	0	0	0	0	121.8
393	I	34.6	Very low	36.2	Very low	153 Å²	153	141.6 Å²	141.6	79%	0.785	80%	0.804	S	S	*	*			trans	3.9	131.1	133.3	-22.7	174.4	0	0	0	119.3
394	N	34.9	Very low	36.2	Very low	137 Å²	137	137 Å²	137	73%	0.733	80%	0.795	S	S	*	*				165.6	139.2	120.4	-85.8	-15	0	0	0	115.1
395	D	35.6	Very low	36.6	Very low	140 Å²	140	139.3 Å²	139.3	75%	0.749	80%	0.799	S	S	*	*			trans	43	150.7	136.3	-67.2	-11.5	0	0	0	123.6
396	T	35.9	Very low	36.8	Very low	118 Å²	118	139.3 Å²	139.3	72%	0.724	80%	0.796	S	S	*	*			cis	-162.7	179	-1.4	18.5	0	0	0	0	112
397	S	40	Very low	37.1	Very low	108 Å²	108	138.2 Å²	138.2	76%	0.755	79%	0.794	S	S	*	*			trans	115.2	68.1	144.1	77.2	0	0	0	0	121.5
398	V	38.1	Very low	37.2	Very low	128 Å²	128	140.3 Å²	140.3	78%	0.776	80%	0.797	S	S	*	*				37.3	126.2	120.4	-178	0	0	0	0	120.4
399	K	40	Very low	37.6	Very low	207 Å²	207	136 Å²	136	90%	0.9	79%	0.789	S	S	*	*			trans	-157.2	119.5	134.2	-109.3	156.2	-170.5	169.9	0	113.3
400	H	39.3	Very low	37.5	Very low	174 Å²	174	133.6 Å²	133.6	81%	0.806	79%	0.785	S	S	*	*			trans	-105.5	174.3	168.4	-88	-61.5	0	0	0	108.6
401	P	40	Very low	37.6	Very low	112 Å²	112	132.8 Å²	132.8	73%	0.727	78%	0.778	S	S	*	*			cis	-144.6	-153.3	31.8	41.3	-15.7	0	0	0	113
402	I	39.5	Very low	37.9	Very low	134 Å²	134	133.8 Å²	133.8	69%	0.687	77%	0.771	S	S	*	*			cis	-160.1	155.9	2.9	-145.7	170.9	0	0	0	110.5
403	F	37.7	Very low	37.8	Very low	196 Å²	196	138 Å²	138	86%	0.86	78%	0.775	S	S	*	*			trans	42	139.8	170.5	-68.9	-92	0	0	0	120.4
404	G	33.1	Very low	37.8	Very low	69 Å²	69	138.9 Å²	138.9	71%	0.711	77%	0.773	S	S	*	*			cis	150.4	128.1	-11.1	0	0	0	0	0	114
405	D	42.9	Very low	38.3	Very low	162 Å²	162	135.8 Å²	135.8	87%	0.866	77%	0.766	S	S	*	*			trans	-165.1	148.4	147.7	-124.1	-15.4	0	0	0	109.8
406	P	38.6	Very low	39.3	Very low	120 Å²	120	135.2 Å²	135.2	78%	0.779	76%	0.763	S	S	*	*			trans	-116.2	88.1	-166	38.7	-27.1	0	0	0	114.8
407	S	39.3	Very low	40.6	Very low	115 Å²	115	134.8 Å²	134.8	80%	0.804	76%	0.763	S	S	*	*			trans	-151.2	33.8	175.1	71	0	0	0	0	116.9
408	D	38.3	Very low	41.7	Very low	162 Å²	162	132.4 Å²	132.4	87%	0.866	75%	0.745	S	S	*	*			trans	-140.3	107	165.8	-102.6	-44.5	0	0	0	110.8
409	A	42.2	Very low	43.3	Very low	88 Å²	88	133.4 Å²	133.4	73%	0.727	74%	0.735	S	S	*	*			trans	-89.9	123.5	170.4	0	0	0	0	0	108.6	Q411	A409-Q411 PolarHBondContact O-N 2.85Å; A409-Q411 VanDerWaalsContact O-N 3.07Å
410	P	37.6	Very low	45	Very low	126 Å²	126	127.6 Å²	127.6	82%	0.818	71%	0.713	S	S	*	*			trans	-67.5	113.3	-177.9	26.8	-33.3	0	0	0	110.2
411	Q	35.6	Very low	47	Very low	149 Å²	149	121.3 Å²	121.3	70%	0.696	69%	0.685	S	S	*	*			trans	-51.7	137.8	166.6	-75.2	-76.5	-16.5	0	0	109.4	A409 K413	A409-Q411 PolarHBondContact O-N 2.85Å; A409-Q411 VanDerWaalsContact O-N 3.07Å; Q411-K413 PolarHBondContact O-N 3.5Å
412	P	36.4	Very low	49	Very low	90 Å²	90	117.1 Å²	117.1	58%	0.584	66%	0.656	S	S	*	*			trans	-58.6	143.1	172.4	27.4	-34.2	0	0	0	109.1	F414	P412-F414 VanDerWaalsContact C-N 3.34Å; P412-F414 HydrophobicContact CG-CE2 4.14Å; P412-F414 HydrophobicContact CG-CZ 4.46Å; P412-F414 VanDerWaalsContact O-CD2 3.28Å; P412-F414 WeakPolarHBondContact O-CD2 3.47Å; P412-F414 PolarHBondContact O-N 3.42Å
413	K	34	Very low	51.2	Low	211 Å²	211	116.4 Å²	116.4	92%	0.917	65%	0.648	S	S	*	*			trans	-67.3	96.5	173.9	-66.3	178.4	-178	176.6	0	108	Q411	Q411-K413 PolarHBondContact O-N 3.5Å
414	F	36	Very low	53.6	Low	170 Å²	170	107.6 Å²	107.6	75%	0.746	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-54.8	146.9	174.9	-78.4	-90.4	0	0	0	110.3	P412	P412-F414 VanDerWaalsContact C-N 3.34Å; P412-F414 HydrophobicContact CG-CE2 4.14Å; P412-F414 HydrophobicContact CG-CZ 4.46Å; P412-F414 VanDerWaalsContact O-CD2 3.28Å; P412-F414 WeakPolarHBondContact O-CD2 3.47Å; P412-F414 PolarHBondContact O-N 3.42Å
415	A	44.4	Very low	56.4	Low	72 Å²	72	105.2 Å²	105.2	60%	0.595	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-59.7	159.9	-170.3	0	0	0	0	0	112.8
416	N	56.5	Low	58.7	Low	128 Å²	128	97.7 Å²	97.7	68%	0.684	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-56.9	141.7	174.5	-60	-67.4	0	0	0	109.8
417	P	62.7	Low	61.3	Low	109 Å²	109	92 Å²	92	71%	0.708	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-59.1	138.4	172.6	26.3	-34.1	0	0	0	109.7
418	P	62.7	Low	63.7	Low	59 Å²	59	87.6 Å²	87.6	38%	0.383	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-68.5	148.5	-172.5	30.9	-37.4	0	0	0	111.1	V227	V227-P418 HydrophobicContact CG2-CB 3.54Å; V227-P418 HydrophobicContact CG2-CG 3.7Å
419	R	72	Confident	66.2	Low	148 Å²	148	79.9 Å²	79.9	56%	0.558	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-97.4	134.7	-163.1	-62	176.6	-179.1	174.2	1.2	111.4	D224 L421	D224-R419 WeakPolarHBondContact OD1-CB 3.26Å; D224-R419 PolarHBondContact OD1-N 2.86Å; R419-L421 HydrophobicContact CB-CD1 4.41Å; R419-L421 HydrophobicContact CB-CD2 3.8Å; R419-L421 HydrophobicContact CB-CG 3.75Å; R419-L421 PolarHBondContact O-N 3.31Å
420	L	76.6	Confident	68.1	Low	86 Å²	86	83.1 Å²	83.1	45%	0.45	43%	0.425	S	S	.	.			trans	-77	47	178.1	-54.7	-174.4	0	0	0	112.8	V227 H422 K423	V227-L420 HydrophobicContact CG1-CD2 3.59Å; L420-H422 PolarHBondContact O-N 2.85Å; L420-H422 VanDerWaalsContact O-N 3.09Å; L420-K423 PolarHBondContact O-N 3.32Å
421	L	81.3	Confident	70.2	Confident	42 Å²	42	77.9 Å²	77.9	22%	0.22	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25	-170	-59.4	176.9	0	0	0	114.1	I215 E218 R419 K423	I215-L421 HydrophobicContact CG1-CB 4.33Å; I215-L421 HydrophobicContact CG2-CD1 4.47Å; E218-L421 HydrophobicContact CB-CB 4.29Å; E218-L421 HydrophobicContact CB-CD1 4.37Å; R419-L421 HydrophobicContact CB-CD1 4.41Å; R419-L421 HydrophobicContact CB-CD2 3.8Å; R419-L421 HydrophobicContact CB-CG 3.75Å; R419-L421 PolarHBondContact O-N 3.31Å; L421-K423 PolarHBondContact O-N 2.83Å
422	H	82	Confident	72.6	Confident	24 Å²	24	71 Å²	71	11%	0.111	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.5	175.5	62.3	-87.6	0	0	0	114	D211 V214 I215 L420	D211-H422 HydrophobicContact CB-CB 3.78Å; D211-H422 IonicContact OD2-CD2 3.59Å; V214-H422 HydrophobicContact CB-CB 4.48Å; V214-H422 HydrophobicContact CG1-CB 4.37Å; I215-H422 HydrophobicContact CG1-CB 4.17Å; L420-H422 PolarHBondContact O-N 2.85Å; L420-H422 VanDerWaalsContact O-N 3.09Å
423	K	85	Confident	74.8	Confident	119 Å²	119	67.6 Å²	67.6	52%	0.517	34%	0.338	S	S	.	.			trans	-111.8	125.4	177.3	-61.6	-176.8	-179.7	170.8	0	109.9	L420 L421 P475	L420-K423 PolarHBondContact O-N 3.32Å; L421-K423 PolarHBondContact O-N 2.83Å; K423-P475 HydrophobicContact CB-CB 4.28Å; K423-P475 WeakPolarHBondContact O-CB 3.38Å; K423-P475 WeakPolarHBondContact O-CD 3.5Å; K423-P475 WeakPolarHBondContact O-CG 3.48Å
424	T	88.6	Confident	77	Confident	11 Å²	11	58.4 Å²	58.4	7%	0.067	30%	0.3	C	S	.	.			trans	-130.3	140.8	177.2	57.7	0	0	0	0	109.8	I452 T472 P678	T424-I452 HydrophobicContact CG2-CD1 4.32Å; T424-T472 HydrophobicContact CG2-CG2 3.92Å; T424-P678 PolarHBondContact OG1-O 2.91Å
425	A	90.7	Very high	79.2	Confident	18 Å²	18	54.8 Å²	54.8	15%	0.149	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	146	170.1	0	0	0	0	0	108.9	Y473 I479	A425-Y473 PolarHBondContact N-O 2.71Å; A425-Y473 PolarHBondContact O-N 3.39Å; A425-I479 HydrophobicContact CB-CB 4.06Å; A425-I479 HydrophobicContact CB-CD1 3.88Å; A425-I479 HydrophobicContact CB-CG1 4.01Å
426	S	92.3	Very high	81.1	Confident	5 Å²	5	51.9 Å²	51.9	4%	0.035	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	156.1	-179.8	51.2	0	0	0	0	115.2	A471 N508 P678	S426-A471 CarbonylContact C-O 3.47Å; S426-A471 VanDerWaalsContact CA-O 3.23Å; S426-A471 WeakPolarHBondContact CA-O 3.47Å; S426-A471 WeakPolarHBondContact CB-O 3.18Å; S426-N508 WeakPolarHBondContact O-CB 3.44Å; S426-N508 PolarHBondContact O-N 2.82Å; S426-N508 WeakPolarHBondContact OG-CB 3.3Å; S426-N508 PolarHBondContact OG-ND2 2.76Å; S426-P678 VanDerWaalsContact CB-CG 3.41Å; S426-P678 WeakPolarHBondContact OG-CG 3.47Å
427	I	92.2	Very high	82.5	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.7	178.4	-68.4	172.8	0	0	0	108.2	F429 W470 A471 Y473 I479 I482 C483 L486 A505 T506	I427-F429 HydrophobicContact CG2-CE2 4.3Å; I427-F429 HydrophobicContact CG2-CZ 4.26Å; I427-W470 CarbonylContact O-C 3.59Å; I427-W470 WeakPolarHBondContact O-CA 3.28Å; I427-A471 PolarHBondContact N-O 3.32Å; I427-A471 PolarHBondContact O-N 3.18Å; I427-Y473 HydrophobicContact CD1-CD2 4.44Å; I427-Y473 HydrophobicContact CD1-CE2 3.98Å; I427-Y473 HydrophobicContact CG1-CE2 4.48Å; I427-I479 HydrophobicContact CD1-CD1 3.85Å; I427-I479 HydrophobicContact CD1-CG1 4.2Å; I427-I479 HydrophobicContact CG1-CD1 3.73Å; I427-I479 HydrophobicContact CG1-CG1 3.81Å; I427-I482 HydrophobicContact CD1-CB 3.99Å; I427-I482 HydrophobicContact CD1-CG2 3.48Å; I427-I482 VanDerWaalsContact CD1-CG2 3.48Å; I427-C483 HydrophobicContact CD1-CB 3.97Å; I427-C483 HydrophobicContact CG1-CB 4.28Å; I427-L486 HydrophobicContact CD1-CD1 3.83Å; I427-L486 HydrophobicContact CG2-CD1 4.36Å; I427-A505 HydrophobicContact CG2-CB 3.95Å; I427-T506 CarbonylContact C-O 3.47Å; I427-T506 VanDerWaalsContact CA-O 3.3Å; I427-T506 WeakPolarHBondContact CA-O 3.45Å; I427-T506 WeakPolarHBondContact CG2-O 3.45Å
428	F	91.7	Very high	83.8	Confident	22 Å²	22	48.6 Å²	48.6	10%	0.096	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.4	179.4	174	-117.1	0	0	0	110.7	R430 H468 A469 W470 T506 N508 N993	F428-R430 HydrophobicContact CD1-CB 4.43Å; F428-R430 HydrophobicContact CE1-CB 3.89Å; F428-R430 HydrophobicContact CE1-CG 4.2Å; F428-H468 HydrophobicContact CE2-CB 3.96Å; F428-H468 HydrophobicContact CZ-CB 4.48Å; F428-H468 AromaticContact CZ-ND1 3.73Å; F428-A469 WeakPolarHBondContact CA-O 3.36Å; F428-W470 AromaticContact CD2-CD1 3.84Å; F428-W470 HydrophobicContact CD2-CD2 4.09Å; F428-W470 AromaticContact CD2-CE2 3.54Å; F428-W470 HydrophobicContact CD2-CG 4.26Å; F428-W470 AromaticContact CD2-CZ2 3.97Å; F428-W470 HydrophobicContact CD2-CZ2 3.97Å; F428-W470 AromaticContact CD2-NE1 3.38Å; F428-W470 HydrophobicContact CE2-CD2 4.49Å; F428-W470 AromaticContact CE2-CE2 3.75Å; F428-W470 HydrophobicContact CE2-CH2 4.33Å; F428-W470 AromaticContact CE2-CZ2 3.66Å; F428-W470 HydrophobicContact CE2-CZ2 3.66Å; F428-W470 AromaticContact CE2-NE1 3.98Å; F428-T506 PolarHBondContact N-O 2.84Å; F428-T506 PolarHBondContact O-N 3.16Å; F428-T506 PolarHBondContact O-OG1 3.25Å; F428-N508 HydrophobicContact CB-CB 4.27Å; F428-N993 WeakPolarHBondContact CZ-ND2 3.29Å
429	F	89	Confident	85	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	108.5	172.7	-60.4	-88.4	0	0	0	109.3	I427 A431 L432 L441 A469 A471 L486 L492 G504 A505	I427-F429 HydrophobicContact CG2-CE2 4.3Å; I427-F429 HydrophobicContact CG2-CZ 4.26Å; F429-A431 VanDerWaalsContact C-N 3.32Å; F429-A431 PolarHBondContact O-N 3.43Å; F429-L432 HydrophobicContact CB-CD1 3.77Å; F429-L432 HydrophobicContact CB-CD2 4.13Å; F429-L432 HydrophobicContact CB-CG 3.88Å; F429-L432 HydrophobicContact CD1-CD2 4.3Å; F429-L432 HydrophobicContact CG-CD1 4.23Å; F429-L432 HydrophobicContact CG-CD2 4.42Å; F429-L441 HydrophobicContact CE1-CD1 4.18Å; F429-L441 HydrophobicContact CE2-CD1 4.32Å; F429-L441 HydrophobicContact CZ-CD1 3.94Å; F429-A469 HydrophobicContact CB-CB 4.22Å; F429-A469 HydrophobicContact CD2-CB 3.9Å; F429-A469 HydrophobicContact CG-CB 4.45Å; F429-A469 PolarHBondContact N-O 3Å; F429-A469 PolarHBondContact O-N 3.39Å; F429-A471 HydrophobicContact CE2-CB 4.01Å; F429-L486 HydrophobicContact CZ-CD1 4.18Å; F429-L492 HydrophobicContact CE1-CD1 3.94Å; F429-G504 WeakPolarHBondContact CA-O 3.46Å; F429-A505 HydrophobicContact CD1-CB 3.78Å; F429-A505 HydrophobicContact CE1-CB 3.64Å; F429-A505 HydrophobicContact CZ-CB 4.48Å
430	R	83.9	Confident	85.9	Confident	156 Å²	156	43.5 Å²	43.5	59%	0.589	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	-23.5	-170.8	-176.4	177.6	-177	-162.8	3.9	114.1	F428 H468 E502 G504	F428-R430 HydrophobicContact CD1-CB 4.43Å; F428-R430 HydrophobicContact CE1-CB 3.89Å; F428-R430 HydrophobicContact CE1-CG 4.2Å; R430-H468 PolarHBondContact O-CE1 2.83Å; R430-H468 PolarHBondContact O-ND1 3.38Å; R430-E502 IonicContact NH1-OE2 2.81Å; R430-E502 PolarHBondContact NH1-OE2 3.4Å; R430-G504 PolarHBondContact N-O 3.19Å; R430-G504 VanDerWaalsContact N-O 3.11Å
431	A	81.5	Confident	86.5	Confident	16 Å²	16	39.6 Å²	39.6	13%	0.132	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	121.1	-178.7	0	0	0	0	0	109.6	F429 M466 L496 L498	F429-A431 VanDerWaalsContact C-N 3.32Å; F429-A431 PolarHBondContact O-N 3.43Å; A431-M466 HydrophobicContact CB-CE 3.68Å; A431-L496 WeakPolarHBondContact O-CD1 3.42Å; A431-L498 HydrophobicContact CB-CD2 4.45Å
432	L	84.6	Confident	87	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	124.2	174.8	-66.5	171.4	0	0	0	109.9	F429 I436 L441 M466 R467 A469 L492	F429-L432 HydrophobicContact CB-CD1 3.77Å; F429-L432 HydrophobicContact CB-CD2 4.13Å; F429-L432 HydrophobicContact CB-CG 3.88Å; F429-L432 HydrophobicContact CD1-CD2 4.3Å; F429-L432 HydrophobicContact CG-CD1 4.23Å; F429-L432 HydrophobicContact CG-CD2 4.42Å; L432-I436 HydrophobicContact CD2-CD1 4.06Å; L432-L441 HydrophobicContact CD1-CD2 3.59Å; L432-M466 WeakPolarHBondContact O-CA 3.15Å; L432-R467 HydrophobicContact CB-CB 4.36Å; L432-R467 PolarHBondContact N-O 3.41Å; L432-R467 PolarHBondContact O-N 2.93Å; L432-A469 HydrophobicContact CD1-CB 3.52Å; L432-L492 HydrophobicContact CD2-CD2 4.28Å
433	P	82.3	Confident	87.4	Confident	19 Å²	19	48 Å²	48	12%	0.123	24%	0.235	C	C	.	.			trans	-58.9	147.2	173.5	-26.9	35.4	0	0	0	112.6	T435 I436 M466 L496	P433-T435 PolarHBondContact O-N 3.41Å; P433-T435 VanDerWaalsContact O-N 3.09Å; P433-I436 PolarHBondContact O-N 3.41Å; P433-I436 VanDerWaalsContact O-N 3.07Å; P433-M466 HydrophobicContact CB-SD 4.26Å; P433-M466 HydrophobicContact CG-CE 3.95Å; P433-M466 HydrophobicContact CG-SD 4.11Å; P433-L496 HydrophobicContact CG-CD1 4.26Å
434	P	81.5	Confident	87.7	Confident	19 Å²	19	43.9 Å²	43.9	12%	0.123	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-10.9	179.2	28.8	-35.3	0	0	0	113.6	E154 I436 F465 R467	E154-P434 WeakPolarHBondContact OE2-CB 3.37Å; P434-I436 VanDerWaalsContact C-N 3.3Å; P434-F465 HydrophobicContact CG-CB 4.32Å; P434-R467 VanDerWaalsContact CA-NH2 3.25Å; P434-R467 PolarHBondContact O-NH2 3.05Å
435	T	81.9	Confident	87.8	Confident	93 Å²	93	43.3 Å²	43.3	57%	0.571	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-12.1	172.4	57.8	0	0	0	0	114.2	P433	P433-T435 PolarHBondContact O-N 3.41Å; P433-T435 VanDerWaalsContact O-N 3.09Å
436	I	84.3	Confident	87.9	Confident	11 Å²	11	45.3 Å²	45.3	6%	0.056	23%	0.232	C	C	.	.	S	Bend	trans	-83.4	131.6	171.7	-58.2	-177.7	0	0	0	108.9	L432 P433 P434 L441 R467 K495	L432-I436 HydrophobicContact CD2-CD1 4.06Å; P433-I436 PolarHBondContact O-N 3.41Å; P433-I436 VanDerWaalsContact O-N 3.07Å; P434-I436 VanDerWaalsContact C-N 3.3Å; I436-L441 HydrophobicContact CG2-CB 4.4Å; I436-R467 PolarHBondContact O-NH1 2.89Å; I436-K495 HydrophobicContact CD1-CB 4.18Å; I436-K495 HydrophobicContact CD1-CD 4.47Å; I436-K495 HydrophobicContact CG1-CB 4.32Å; I436-K495 HydrophobicContact CG1-CD 3.91Å
437	K	86.4	Confident	87.9	Confident	102 Å²	102	49 Å²	49	44%	0.443	26%	0.257	S	S	.	.			trans	-87.7	152.6	176.2	-64.7	-179.4	-172.3	166.3	0	112.1	E155 S439 E440 L441	E155-K437 WeakPolarHBondContact OE1-CB 3.44Å; E155-K437 VanDerWaalsContact OE2-CA 3.25Å; E155-K437 WeakPolarHBondContact OE2-CA 3.46Å; K437-S439 VanDerWaalsContact C-N 3.31Å; K437-S439 PolarHBondContact O-N 3.03Å; K437-E440 HydrophobicContact CB-CB 4.36Å; K437-E440 HydrophobicContact CB-CG 4.06Å; K437-E440 HydrophobicContact CD-CG 4.5Å; K437-E440 PolarHBondContact O-N 3.18Å; K437-L441 PolarHBondContact O-N 3.43Å
438	E	88.4	Confident	87.8	Confident	67 Å²	67	51 Å²	51	31%	0.313	27%	0.267	S	S	.	.	H	α-helix	trans	-58.5	-43.5	171.2	-170	-177.3	134.4	0	0	111.2	E155 E440 L441 K442 L454 L456	E155-E438 PolarHBondContact OE1-N 3.12Å; E155-E438 PolarHBondContact OE2-N 3.33Å; E438-E440 PolarHBondContact O-N 3.24Å; E438-L441 PolarHBondContact O-N 3.18Å; E438-K442 WeakPolarHBondContact O-CB 3.16Å; E438-K442 PolarHBondContact O-N 3.47Å; E438-L454 HydrophobicContact CG-CD2 4.29Å; E438-L456 HydrophobicContact CB-CD2 4.08Å; E438-L456 HydrophobicContact CG-CD1 4.09Å; E438-L456 HydrophobicContact CG-CD2 4.34Å
439	S	89.2	Confident	87.9	Confident	54 Å²	54	54.1 Å²	54.1	38%	0.378	29%	0.289	S	S	.	.	H	α-helix	trans	-61	-46.6	-179.1	72.2	0	0	0	0	112.3	K437 L441 K442 E443	K437-S439 VanDerWaalsContact C-N 3.31Å; K437-S439 PolarHBondContact O-N 3.03Å; S439-L441 VanDerWaalsContact C-N 3.32Å; S439-L441 PolarHBondContact O-N 3.08Å; S439-K442 PolarHBondContact O-N 3.1Å; S439-E443 WeakPolarHBondContact O-CB 3.49Å; S439-E443 WeakPolarHBondContact O-CG 3.33Å; S439-E443 PolarHBondContact O-N 3.26Å
440	E	89.8	Confident	87.9	Confident	46 Å²	46	55.2 Å²	55.2	22%	0.215	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-41.1	178.4	-66.1	173.5	-160.3	0	0	111.6	K437 E438 L444 K495	K437-E440 HydrophobicContact CB-CB 4.36Å; K437-E440 HydrophobicContact CB-CG 4.06Å; K437-E440 HydrophobicContact CD-CG 4.5Å; K437-E440 PolarHBondContact O-N 3.18Å; E438-E440 PolarHBondContact O-N 3.24Å; E440-L444 WeakPolarHBondContact O-CG 3.48Å; E440-L444 PolarHBondContact O-N 2.73Å; E440-K495 IonicContact OE1-NZ 2.94Å; E440-K495 IonicContact OE2-NZ 2.73Å; E440-K495 PolarHBondContact OE2-NZ 3.35Å
441	L	89.3	Confident	88.3	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-74.1	-34	177.6	-172.7	59.5	0	0	0	112.3	F429 L432 I436 K437 E438 S439 L444 C445 L454 L456 A469	F429-L441 HydrophobicContact CE1-CD1 4.18Å; F429-L441 HydrophobicContact CE2-CD1 4.32Å; F429-L441 HydrophobicContact CZ-CD1 3.94Å; L432-L441 HydrophobicContact CD1-CD2 3.59Å; I436-L441 HydrophobicContact CG2-CB 4.4Å; K437-L441 PolarHBondContact O-N 3.43Å; E438-L441 PolarHBondContact O-N 3.18Å; S439-L441 VanDerWaalsContact C-N 3.32Å; S439-L441 PolarHBondContact O-N 3.08Å; L441-L444 HydrophobicContact CD1-CD1 4.45Å; L441-L444 PolarHBondContact O-N 3.14Å; L441-C445 PolarHBondContact O-N 3.43Å; L441-C445 PolarHBondContact O-SG 3.12Å; L441-L454 HydrophobicContact CB-CD2 4.08Å; L441-L454 HydrophobicContact CD2-CD1 4.13Å; L441-L454 HydrophobicContact CD2-CD2 4.2Å; L441-L454 HydrophobicContact CG-CD1 4.26Å; L441-L454 HydrophobicContact CG-CD2 3.95Å; L441-L456 HydrophobicContact CD2-CD1 4.17Å; L441-A469 HydrophobicContact CD2-CB 4.09Å
442	K	91.8	Very high	88.8	Confident	106 Å²	106	52 Å²	52	46%	0.461	29%	0.29	S	S	.	.	H	α-helix	trans	-67.8	-42	176.2	-170.6	173.5	-175.7	171.8	0	111.6	E438 S439 C445 A446 F451 L454	E438-K442 WeakPolarHBondContact O-CB 3.16Å; E438-K442 PolarHBondContact O-N 3.47Å; S439-K442 PolarHBondContact O-N 3.1Å; K442-C445 PolarHBondContact O-N 3.29Å; K442-A446 WeakPolarHBondContact O-CB 3.32Å; K442-A446 PolarHBondContact O-N 2.81Å; K442-F451 HydrophobicContact CG-CE1 4.23Å; K442-F451 HydrophobicContact CG-CZ 4.25Å; K442-L454 HydrophobicContact CB-CD2 3.97Å
443	E	92	Very high	89.2	Confident	136 Å²	136	53.2 Å²	53.2	64%	0.636	30%	0.295	S	S	*	.	H	α-helix	trans	-61.3	-44.2	173	-73.2	165.8	-143.8	0	0	111.7	S439 C445 S447	S439-E443 WeakPolarHBondContact O-CB 3.49Å; S439-E443 WeakPolarHBondContact O-CG 3.33Å; S439-E443 PolarHBondContact O-N 3.26Å; E443-C445 PolarHBondContact O-N 3.04Å; E443-S447 WeakPolarHBondContact O-CB 3.44Å; E443-S447 PolarHBondContact O-N 3.47Å
444	L	89.6	Confident	89.7	Confident	33 Å²	33	52.8 Å²	52.8	17%	0.173	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-40.9	173.6	-78.1	169.7	0	0	0	113.2	E440 L441 S447 L491	E440-L444 WeakPolarHBondContact O-CG 3.48Å; E440-L444 PolarHBondContact O-N 2.73Å; L441-L444 HydrophobicContact CD1-CD1 4.45Å; L441-L444 PolarHBondContact O-N 3.14Å; L444-S447 WeakPolarHBondContact O-CB 3.4Å; L444-L491 HydrophobicContact CD1-CB 3.9Å; L444-L491 HydrophobicContact CD1-CD1 3.92Å; L444-L491 HydrophobicContact CD2-CB 4.49Å; L444-L491 HydrophobicContact CD2-CD1 4.11Å; L444-L491 HydrophobicContact CG-CD1 4.05Å
445	C	91.5	Very high	90.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-76.2	-40	-179.2	-63.6	0	0	0	0	112	L441 K442 E443 S447 Q448 F451 A471 Y473	L441-C445 PolarHBondContact O-N 3.43Å; L441-C445 PolarHBondContact O-SG 3.12Å; K442-C445 PolarHBondContact O-N 3.29Å; E443-C445 PolarHBondContact O-N 3.04Å; C445-S447 PolarHBondContact O-N 3.21Å; C445-Q448 WeakPolarHBondContact O-CB 3.24Å; C445-Q448 PolarHBondContact O-N 3.39Å; C445-Q448 VanDerWaalsContact O-N 3.11Å; C445-F451 HydrophobicContact CB-CD2 3.58Å; C445-F451 HydrophobicContact CB-CE2 3.45Å; C445-F451 VanDerWaalsContact CB-CE2 3.45Å; C445-F451 HydrophobicContact CB-CG 4.3Å; C445-F451 HydrophobicContact CB-CZ 4.1Å; C445-A471 HydrophobicContact CB-CB 4.27Å; C445-Y473 WeakPolarHBondContact CA-OH 3.32Å; C445-Y473 WeakPolarHBondContact CB-OH 3.48Å; C445-Y473 PolarHBondContact O-OH 2.77Å
446	A	92.7	Very high	90.5	Very high	59 Å²	59	48.8 Å²	48.8	49%	0.488	27%	0.265	S	S	.	.	H	α-helix	trans	-70.2	-17.9	176	0	0	0	0	0	113.5	K442 Q448 F451	K442-A446 WeakPolarHBondContact O-CB 3.32Å; K442-A446 PolarHBondContact O-N 2.81Å; A446-Q448 PolarHBondContact O-N 2.87Å; A446-F451 HydrophobicContact CB-CD1 3.75Å; A446-F451 HydrophobicContact CB-CE1 4.15Å; A446-F451 HydrophobicContact CB-CG 4.43Å
447	S	91.3	Very high	90.7	Very high	82 Å²	82	50.5 Å²	50.5	57%	0.573	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-13	166.5	142.1	0	0	0	0	113.4	E443 L444 C445	E443-S447 WeakPolarHBondContact O-CB 3.44Å; E443-S447 PolarHBondContact O-N 3.47Å; L444-S447 WeakPolarHBondContact O-CB 3.4Å; C445-S447 PolarHBondContact O-N 3.21Å
448	Q	91.9	Very high	90.4	Very high	43 Å²	43	48 Å²	48	20%	0.201	26%	0.261	C	S	.	.	S	Bend	trans	-111.1	142	-175.9	-54.6	-65.3	-52.8	0	0	110.1	C445 A446 Y473 I482 L486	C445-Q448 WeakPolarHBondContact O-CB 3.24Å; C445-Q448 PolarHBondContact O-N 3.39Å; C445-Q448 VanDerWaalsContact O-N 3.11Å; A446-Q448 PolarHBondContact O-N 2.87Å; Q448-Y473 HydrophobicContact CB-CE1 3.96Å; Q448-I482 HydrophobicContact CB-CD1 4.08Å; Q448-I482 HydrophobicContact CB-CG1 4.32Å; Q448-I482 HydrophobicContact CB-CG2 3.91Å; Q448-I482 HydrophobicContact CG-CG2 3.95Å; Q448-L486 HydrophobicContact CG-CD2 4.16Å
449	P	92.4	Very high	90.2	Very high	87 Å²	87	45.2 Å²	45.2	57%	0.565	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	143.2	-172.3	27.3	-35.4	0	0	0	112.5	V477	P449-V477 HydrophobicContact CG-CG1 4.49Å
450	G	89.7	Confident	89.9	Confident	23 Å²	23	44.2 Å²	44.2	24%	0.237	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	27.1	177.4	0	0	0	0	0	114.8	Y473 D474	G450-Y473 CarbonylContact O-C 3.45Å; G450-Y473 WeakPolarHBondContact O-CA 3.27Å; G450-Y473 WeakPolarHBondContact O-CD1 3.49Å; G450-D474 WeakPolarHBondContact CA-OD2 3.32Å; G450-D474 PolarHBondContact O-N 3.24Å
451	F	93.1	Very high	89.4	Confident	41 Å²	41	44 Å²	44	18%	0.18	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.7	171.5	171.6	-104.8	0	0	0	110.9	K442 C445 A446 L454 A471 Y473	K442-F451 HydrophobicContact CG-CE1 4.23Å; K442-F451 HydrophobicContact CG-CZ 4.25Å; C445-F451 HydrophobicContact CB-CD2 3.58Å; C445-F451 HydrophobicContact CB-CE2 3.45Å; C445-F451 VanDerWaalsContact CB-CE2 3.45Å; C445-F451 HydrophobicContact CB-CG 4.3Å; C445-F451 HydrophobicContact CB-CZ 4.1Å; A446-F451 HydrophobicContact CB-CD1 3.75Å; A446-F451 HydrophobicContact CB-CE1 4.15Å; A446-F451 HydrophobicContact CB-CG 4.43Å; F451-L454 HydrophobicContact CE2-CB 4.11Å; F451-L454 HydrophobicContact CZ-CB 3.86Å; F451-A471 HydrophobicContact CE2-CB 4.37Å; F451-Y473 HydrophobicContact CB-CD1 4.08Å; F451-Y473 HydrophobicContact CB-CE1 3.66Å; F451-Y473 HydrophobicContact CD2-CE1 4.15Å; F451-Y473 HydrophobicContact CD2-CE2 4.46Å; F451-Y473 HydrophobicContact CG-CE1 4.41Å
452	I	91.3	Very high	88.8	Confident	63 Å²	63	50.8 Å²	50.8	32%	0.323	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-61.9	-179.4	-53	175.9	0	0	0	110.5	T424 T472	T424-I452 HydrophobicContact CG2-CD1 4.32Å; I452-T472 HydrophobicContact CD1-CG2 4.43Å; I452-T472 PolarHBondContact N-O 3.41Å
453	R	92.5	Very high	88.1	Confident	30 Å²	30	52.1 Å²	52.1	11%	0.113	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	156.2	-171.9	51.3	-162	167.6	74.6	18	112.7	E218 T472 D675 L676 M677 P678 R680	E218-R453 IonicContact OE1-CZ 2.67Å; E218-R453 VanDerWaalsContact OE1-CZ 3.25Å; E218-R453 IonicContact OE1-NE 3.34Å; E218-R453 PolarHBondContact OE1-NE 2.67Å; E218-R453 IonicContact OE1-NH2 3.78Å; E218-R453 PolarHBondContact OE1-NH2 2.83Å; E218-R453 IonicContact OE2-NE 2.75Å; R453-T472 PolarHBondContact N-O 2.82Å; R453-T472 WeakPolarHBondContact O-CB 3.46Å; R453-T472 PolarHBondContact O-N 2.85Å; R453-D675 PolarHBondContact NH1-O 3.42Å; R453-L676 PolarHBondContact NH1-O 2.93Å; R453-M677 PolarHBondContact NH1-O 2.99Å; R453-P678 PolarHBondContact NH2-O 3.43Å; R453-R680 VanDerWaalsContact CZ-CD 3.49Å
454	L	92.8	Very high	87.4	Confident	10 Å²	10	51.8 Å²	51.8	5%	0.052	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	133.8	-179.9	176.7	68.8	0	0	0	108.8	E438 L441 K442 F451 L456 A469 W470 A471	E438-L454 HydrophobicContact CG-CD2 4.29Å; L441-L454 HydrophobicContact CB-CD2 4.08Å; L441-L454 HydrophobicContact CD2-CD1 4.13Å; L441-L454 HydrophobicContact CD2-CD2 4.2Å; L441-L454 HydrophobicContact CG-CD1 4.26Å; L441-L454 HydrophobicContact CG-CD2 3.95Å; K442-L454 HydrophobicContact CB-CD2 3.97Å; F451-L454 HydrophobicContact CE2-CB 4.11Å; F451-L454 HydrophobicContact CZ-CB 3.86Å; L454-L456 HydrophobicContact CD1-CD1 4.12Å; L454-L456 HydrophobicContact CD2-CD1 3.67Å; L454-L456 HydrophobicContact CG-CD1 3.63Å; L454-A469 HydrophobicContact CD1-CB 4.41Å; L454-W470 WeakPolarHBondContact CA-O 3.43Å; L454-A471 HydrophobicContact CD1-CB 4.11Å
455	A	91.8	Very high	87	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.4	169.6	0	0	0	0	0	109.7	A469 W470 L676	A455-A469 CarbonylContact O-C 3.59Å; A455-A469 WeakPolarHBondContact O-CA 3.31Å; A455-A469 VanDerWaalsContact O-CB 3.25Å; A455-A469 WeakPolarHBondContact O-CB 3.33Å; A455-W470 HydrophobicContact CB-CE3 4.42Å; A455-W470 PolarHBondContact N-O 3.02Å; A455-W470 PolarHBondContact O-N 3.18Å; A455-L676 HydrophobicContact CB-CB 3.72Å
456	L	89.5	Confident	86.7	Confident	27 Å²	27	52.9 Å²	52.9	14%	0.141	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136	165.6	-86	63	0	0	0	109	E438 L441 L454 A469 M673	E438-L456 HydrophobicContact CB-CD2 4.08Å; E438-L456 HydrophobicContact CG-CD1 4.09Å; E438-L456 HydrophobicContact CG-CD2 4.34Å; L441-L456 HydrophobicContact CD2-CD1 4.17Å; L454-L456 HydrophobicContact CD1-CD1 4.12Å; L454-L456 HydrophobicContact CD2-CD1 3.67Å; L454-L456 HydrophobicContact CG-CD1 3.63Å; L456-A469 HydrophobicContact CD1-CB 4.11Å; L456-A469 HydrophobicContact CG-CB 4.21Å; L456-M673 WeakPolarHBondContact O-CE 3.22Å
457	W	86.8	Confident	86.4	Confident	48 Å²	48	50.5 Å²	50.5	18%	0.182	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-81	158.5	168.1	-156.9	-109	0	0	0	111.4	H468 W470 M673 M677 M989	W457-H468 HydrophobicContact CB-CB 3.99Å; W457-H468 PolarHBondContact N-O 2.78Å; W457-W470 HydrophobicContact CB-CH2 4.49Å; W457-W470 HydrophobicContact CB-CZ3 4.04Å; W457-W470 HydrophobicContact CE3-CZ3 4.26Å; W457-M673 HydrophobicContact CD2-CE 4.27Å; W457-M673 HydrophobicContact CE3-CE 3.55Å; W457-M673 HydrophobicContact CZ3-CE 3.84Å; W457-M677 HydrophobicContact CE3-CE 4.33Å; W457-M677 HydrophobicContact CZ3-CE 4.27Å; W457-M989 HydrophobicContact CZ2-SD 3.77Å
458	E	81.3	Confident	86.2	Confident	50 Å²	50	47.4 Å²	47.4	23%	0.234	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-66	137.7	172	-163.2	163.9	-131.1	0	0	110.3	R160 V460	R160-E458 WeakPolarHBondContact CD-OE1 3.32Å; R160-E458 IonicContact CZ-OE1 3.48Å; R160-E458 IonicContact NE-OE1 3.52Å; R160-E458 IonicContact NH1-OE1 2.72Å; R160-E458 PolarHBondContact NH1-OE1 2.99Å; R160-E458 IonicContact NH1-OE2 3.53Å; R160-E458 PolarHBondContact NH1-OE2 3.24Å; E458-V460 PolarHBondContact O-N 3.25Å
459	P	83.9	Confident	86.1	Confident	7 Å²	7	45.3 Å²	45.3	5%	0.045	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-63.9	133.1	-177.8	23.1	-33.4	0	0	0	112.5	W156 P461 F465 R467	W156-P459 HydrophobicContact CB-CG 4.26Å; W156-P459 HydrophobicContact CD2-CG 3.33Å; W156-P459 HydrophobicContact CE3-CG 3.42Å; W156-P459 VanDerWaalsContact CE3-CG 3.42Å; W156-P459 HydrophobicContact CG-CG 3.71Å; W156-P459 HydrophobicContact CH2-CG 4.29Å; W156-P459 HydrophobicContact CZ2-CG 4.24Å; W156-P459 HydrophobicContact CZ3-CG 3.89Å; P459-P461 WeakPolarHBondContact O-CD 3.27Å; P459-F465 HydrophobicContact CB-CB 3.87Å; P459-F465 HydrophobicContact CB-CD1 4.11Å; P459-F465 WeakPolarHBondContact CB-O 3.5Å; P459-F465 HydrophobicContact CG-CD1 4.32Å; P459-R467 HydrophobicContact CB-CG 3.75Å; P459-R467 HydrophobicContact CG-CG 4.32Å
460	V	83	Confident	86.2	Confident	33 Å²	33	41.6 Å²	41.6	20%	0.2	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-87.6	119.3	-175.6	-179.2	0	0	0	0	110.2	E458 E462 R463 F465 M466	E458-V460 PolarHBondContact O-N 3.25Å; V460-E462 HydrophobicContact CG1-CB 4.14Å; V460-E462 HydrophobicContact CG1-CG 4.49Å; V460-E462 PolarHBondContact O-N 3.41Å; V460-R463 HydrophobicContact CB-CB 4.31Å; V460-R463 HydrophobicContact CB-CG 4.48Å; V460-R463 HydrophobicContact CG1-CB 4.46Å; V460-R463 HydrophobicContact CG1-CG 4.22Å; V460-R463 CarbonylContact O-C 3.58Å; V460-R463 PolarHBondContact O-N 3Å; V460-F465 WeakPolarHBondContact O-CA 3.39Å; V460-F465 PolarHBondContact O-N 2.83Å; V460-M466 PolarHBondContact N-O 3.4Å
461	P	78.7	Confident	86.4	Confident	41 Å²	41	40.5 Å²	40.5	27%	0.266	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-58.3	-43.8	-177.4	-24.5	32.9	0	0	0	113.4	P459 R463 R464 F465 S819	P459-P461 WeakPolarHBondContact O-CD 3.27Å; P461-R463 PolarHBondContact O-N 3.48Å; P461-R463 VanDerWaalsContact O-N 3.08Å; P461-R464 PolarHBondContact O-N 3.35Å; P461-R464 VanDerWaalsContact O-N 3.13Å; P461-F465 HydrophobicContact CB-CE1 3.88Å; P461-F465 HydrophobicContact CB-CE2 4.41Å; P461-F465 HydrophobicContact CB-CZ 3.73Å; P461-F465 HydrophobicContact CG-CD1 4.49Å; P461-F465 HydrophobicContact CG-CE1 3.72Å; P461-F465 HydrophobicContact CG-CZ 4.04Å; P461-S819 WeakPolarHBondContact CB-O 3.19Å
462	E	77.1	Confident	86.4	Confident	147 Å²	147	38.6 Å²	38.6	69%	0.687	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-54.6	-29	176.9	-56.2	-177	150.5	0	0	113.3	V460	V460-E462 HydrophobicContact CG1-CB 4.14Å; V460-E462 HydrophobicContact CG1-CG 4.49Å; V460-E462 PolarHBondContact O-N 3.41Å
463	R	78	Confident	86.5	Confident	133 Å²	133	35.6 Å²	35.6	50%	0.502	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-105.2	38.1	-177.7	-58.9	-172.8	-177.1	177.3	5.2	111.5	V460 P461 F465 M466 H468	V460-R463 HydrophobicContact CB-CB 4.31Å; V460-R463 HydrophobicContact CB-CG 4.48Å; V460-R463 HydrophobicContact CG1-CB 4.46Å; V460-R463 HydrophobicContact CG1-CG 4.22Å; V460-R463 CarbonylContact O-C 3.58Å; V460-R463 PolarHBondContact O-N 3Å; P461-R463 PolarHBondContact O-N 3.48Å; P461-R463 VanDerWaalsContact O-N 3.08Å; R463-F465 VanDerWaalsContact C-N 3.25Å; R463-F465 PolarHBondContact O-N 2.89Å; R463-M466 VanDerWaalsContact O-CB 3.31Å; R463-M466 WeakPolarHBondContact O-CB 3.47Å; R463-M466 WeakPolarHBondContact O-CG 3.41Å; R463-M466 PolarHBondContact O-N 3.2Å; R463-H468 PolarHBondContact NH1-NE2 3.28Å
464	R	77.2	Confident	86.5	Confident	130 Å²	130	37.2 Å²	37.2	49%	0.491	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	38.8	179.3	-59	-179.4	-178.8	171.6	0.6	113.1	E100 M104 P461 M466	E100-R464 IonicContact OE1-CZ 3.43Å; E100-R464 IonicContact OE1-NH1 2.75Å; E100-R464 IonicContact OE1-NH2 2.98Å; E100-R464 PolarHBondContact OE1-NH2 2.86Å; M104-R464 HydrophobicContact CG-CG 3.79Å; M104-R464 PolarHBondContact SD-NE 3.26Å; M104-R464 PolarHBondContact SD-NH2 3.31Å; P461-R464 PolarHBondContact O-N 3.35Å; P461-R464 VanDerWaalsContact O-N 3.13Å; R464-M466 PolarHBondContact O-N 3.49Å
465	F	81.1	Confident	86.2	Confident	8 Å²	8	39.9 Å²	39.9	4%	0.035	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	25.5	-176	-61.9	-82.7	0	0	0	115.2	F147 H151 W156 P434 P459 V460 P461 R463 L820	F147-F465 HydrophobicContact CE2-CE1 4.21Å; F147-F465 AromaticContact CE2-CE2 3.77Å; F147-F465 HydrophobicContact CE2-CE2 3.77Å; F147-F465 AromaticContact CE2-CZ 3.41Å; F147-F465 HydrophobicContact CE2-CZ 3.41Å; F147-F465 VanDerWaalsContact CE2-CZ 3.41Å; F147-F465 AromaticContact CZ-CE1 3.85Å; F147-F465 HydrophobicContact CZ-CE1 3.85Å; F147-F465 HydrophobicContact CZ-CE2 4.22Å; F147-F465 AromaticContact CZ-CZ 3.52Å; F147-F465 HydrophobicContact CZ-CZ 3.52Å; H151-F465 AromaticContact NE2-CD2 3.99Å; W156-F465 HydrophobicContact CH2-CD1 4.02Å; W156-F465 HydrophobicContact CH2-CE1 4Å; W156-F465 AromaticContact CZ2-CD1 4Å; W156-F465 HydrophobicContact CZ2-CD1 4Å; W156-F465 HydrophobicContact CZ2-CE1 4.3Å; P434-F465 HydrophobicContact CG-CB 4.32Å; P459-F465 HydrophobicContact CB-CB 3.87Å; P459-F465 HydrophobicContact CB-CD1 4.11Å; P459-F465 WeakPolarHBondContact CB-O 3.5Å; P459-F465 HydrophobicContact CG-CD1 4.32Å; V460-F465 WeakPolarHBondContact O-CA 3.39Å; V460-F465 PolarHBondContact O-N 2.83Å; P461-F465 HydrophobicContact CB-CE1 3.88Å; P461-F465 HydrophobicContact CB-CE2 4.41Å; P461-F465 HydrophobicContact CB-CZ 3.73Å; P461-F465 HydrophobicContact CG-CD1 4.49Å; P461-F465 HydrophobicContact CG-CE1 3.72Å; P461-F465 HydrophobicContact CG-CZ 4.04Å; R463-F465 VanDerWaalsContact C-N 3.25Å; R463-F465 PolarHBondContact O-N 2.89Å; F465-L820 HydrophobicContact CE2-CD2 3.81Å; F465-L820 HydrophobicContact CE2-CG 4.3Å
466	M	83.9	Confident	86.1	Confident	47 Å²	47	45 Å²	45	23%	0.232	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-67.4	137.2	168.1	-61.4	-68	-77	0	0	110	A431 L432 P433 V460 R463 R464 L496	A431-M466 HydrophobicContact CB-CE 3.68Å; L432-M466 WeakPolarHBondContact O-CA 3.15Å; P433-M466 HydrophobicContact CB-SD 4.26Å; P433-M466 HydrophobicContact CG-CE 3.95Å; P433-M466 HydrophobicContact CG-SD 4.11Å; V460-M466 PolarHBondContact N-O 3.4Å; R463-M466 VanDerWaalsContact O-CB 3.31Å; R463-M466 WeakPolarHBondContact O-CB 3.47Å; R463-M466 WeakPolarHBondContact O-CG 3.41Å; R463-M466 PolarHBondContact O-N 3.2Å; R464-M466 PolarHBondContact O-N 3.49Å; M466-L496 HydrophobicContact CE-CD1 4.18Å
467	R	86.2	Confident	86.1	Confident	9 Å²	9	45.3 Å²	45.3	3%	0.034	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	158.6	175.4	-57.1	-176.6	-160.1	136.4	15	111	W156 L432 P434 I436 P459	W156-R467 VanDerWaalsContact CD1-NH2 3.28Å; L432-R467 HydrophobicContact CB-CB 4.36Å; L432-R467 PolarHBondContact N-O 3.41Å; L432-R467 PolarHBondContact O-N 2.93Å; P434-R467 VanDerWaalsContact CA-NH2 3.25Å; P434-R467 PolarHBondContact O-NH2 3.05Å; I436-R467 PolarHBondContact O-NH1 2.89Å; P459-R467 HydrophobicContact CB-CG 3.75Å; P459-R467 HydrophobicContact CG-CG 4.32Å
468	H	88.2	Confident	86.3	Confident	17 Å²	17	47.2 Å²	47.2	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	157.3	161.4	-64.6	-53.1	0	0	0	109.4	F428 R430 W457 R463 W470	F428-H468 HydrophobicContact CE2-CB 3.96Å; F428-H468 HydrophobicContact CZ-CB 4.48Å; F428-H468 AromaticContact CZ-ND1 3.73Å; R430-H468 PolarHBondContact O-CE1 2.83Å; R430-H468 PolarHBondContact O-ND1 3.38Å; W457-H468 HydrophobicContact CB-CB 3.99Å; W457-H468 PolarHBondContact N-O 2.78Å; R463-H468 PolarHBondContact NH1-NE2 3.28Å; H468-W470 HydrophobicContact CB-CH2 4.01Å; H468-W470 HydrophobicContact CB-CZ3 4.15Å
469	A	90.5	Very high	86.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156.7	168.1	0	0	0	0	0	112.7	F428 F429 L432 L441 L454 A455 L456	F428-A469 WeakPolarHBondContact CA-O 3.36Å; F429-A469 HydrophobicContact CB-CB 4.22Å; F429-A469 HydrophobicContact CD2-CB 3.9Å; F429-A469 HydrophobicContact CG-CB 4.45Å; F429-A469 PolarHBondContact N-O 3Å; F429-A469 PolarHBondContact O-N 3.39Å; L432-A469 HydrophobicContact CD1-CB 3.52Å; L441-A469 HydrophobicContact CD2-CB 4.09Å; L454-A469 HydrophobicContact CD1-CB 4.41Å; A455-A469 CarbonylContact O-C 3.59Å; A455-A469 WeakPolarHBondContact O-CA 3.31Å; A455-A469 VanDerWaalsContact O-CB 3.25Å; A455-A469 WeakPolarHBondContact O-CB 3.33Å; L456-A469 HydrophobicContact CD1-CB 4.11Å; L456-A469 HydrophobicContact CG-CB 4.21Å
470	W	93.2	Very high	87.2	Confident	9 Å²	9	53 Å²	53	3%	0.034	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.2	173.2	-60.9	-104.4	0	0	0	109.5	I427 F428 L454 A455 W457 H468 M677 P678	I427-W470 CarbonylContact O-C 3.59Å; I427-W470 WeakPolarHBondContact O-CA 3.28Å; F428-W470 AromaticContact CD2-CD1 3.84Å; F428-W470 HydrophobicContact CD2-CD2 4.09Å; F428-W470 AromaticContact CD2-CE2 3.54Å; F428-W470 HydrophobicContact CD2-CG 4.26Å; F428-W470 AromaticContact CD2-CZ2 3.97Å; F428-W470 HydrophobicContact CD2-CZ2 3.97Å; F428-W470 AromaticContact CD2-NE1 3.38Å; F428-W470 HydrophobicContact CE2-CD2 4.49Å; F428-W470 AromaticContact CE2-CE2 3.75Å; F428-W470 HydrophobicContact CE2-CH2 4.33Å; F428-W470 AromaticContact CE2-CZ2 3.66Å; F428-W470 HydrophobicContact CE2-CZ2 3.66Å; F428-W470 AromaticContact CE2-NE1 3.98Å; L454-W470 WeakPolarHBondContact CA-O 3.43Å; A455-W470 HydrophobicContact CB-CE3 4.42Å; A455-W470 PolarHBondContact N-O 3.02Å; A455-W470 PolarHBondContact O-N 3.18Å; W457-W470 HydrophobicContact CB-CH2 4.49Å; W457-W470 HydrophobicContact CB-CZ3 4.04Å; W457-W470 HydrophobicContact CE3-CZ3 4.26Å; H468-W470 HydrophobicContact CB-CH2 4.01Å; H468-W470 HydrophobicContact CB-CZ3 4.15Å; W470-M677 HydrophobicContact CB-SD 4.47Å; W470-M677 HydrophobicContact CD2-CE 4.27Å; W470-M677 HydrophobicContact CD2-SD 3.58Å; W470-M677 VanDerWaalsContact CD2-SD 3.58Å; W470-M677 HydrophobicContact CE3-CE 3.81Å; W470-M677 HydrophobicContact CE3-SD 3.71Å; W470-M677 HydrophobicContact CG-SD 3.93Å; W470-M677 HydrophobicContact CH2-CE 4.16Å; W470-M677 HydrophobicContact CH2-SD 4.48Å; W470-M677 HydrophobicContact CZ2-SD 4.36Å; W470-M677 HydrophobicContact CZ3-CE 3.74Å; W470-M677 HydrophobicContact CZ3-SD 4.16Å; W470-P678 HydrophobicContact CB-CG 3.93Å; W470-P678 HydrophobicContact CG-CG 4.4Å
471	A	93.3	Very high	87.6	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124.9	168.1	0	0	0	0	0	109.3	S426 I427 F429 C445 F451 L454 Y473	S426-A471 CarbonylContact C-O 3.47Å; S426-A471 VanDerWaalsContact CA-O 3.23Å; S426-A471 WeakPolarHBondContact CA-O 3.47Å; S426-A471 WeakPolarHBondContact CB-O 3.18Å; I427-A471 PolarHBondContact N-O 3.32Å; I427-A471 PolarHBondContact O-N 3.18Å; F429-A471 HydrophobicContact CE2-CB 4.01Å; C445-A471 HydrophobicContact CB-CB 4.27Å; F451-A471 HydrophobicContact CE2-CB 4.37Å; L454-A471 HydrophobicContact CD1-CB 4.11Å; A471-Y473 HydrophobicContact CB-CD2 4.42Å; A471-Y473 HydrophobicContact CB-CE2 3.68Å
472	T	93.7	Very high	88.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	133.6	-176.1	-49.1	0	0	0	0	109.8	T424 I452 R453 P678	T424-T472 HydrophobicContact CG2-CG2 3.92Å; I452-T472 HydrophobicContact CD1-CG2 4.43Å; I452-T472 PolarHBondContact N-O 3.41Å; R453-T472 PolarHBondContact N-O 2.82Å; R453-T472 WeakPolarHBondContact O-CB 3.46Å; R453-T472 PolarHBondContact O-N 2.85Å; T472-P678 HydrophobicContact CG2-CB 4.18Å
473	Y	94	Very high	88.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157.8	-174.1	-71.1	-91	0	0	0	111.7	A425 I427 C445 Q448 G450 F451 A471 I479 I482	A425-Y473 PolarHBondContact N-O 2.71Å; A425-Y473 PolarHBondContact O-N 3.39Å; I427-Y473 HydrophobicContact CD1-CD2 4.44Å; I427-Y473 HydrophobicContact CD1-CE2 3.98Å; I427-Y473 HydrophobicContact CG1-CE2 4.48Å; C445-Y473 WeakPolarHBondContact CA-OH 3.32Å; C445-Y473 WeakPolarHBondContact CB-OH 3.48Å; C445-Y473 PolarHBondContact O-OH 2.77Å; Q448-Y473 HydrophobicContact CB-CE1 3.96Å; G450-Y473 CarbonylContact O-C 3.45Å; G450-Y473 WeakPolarHBondContact O-CA 3.27Å; G450-Y473 WeakPolarHBondContact O-CD1 3.49Å; F451-Y473 HydrophobicContact CB-CD1 4.08Å; F451-Y473 HydrophobicContact CB-CE1 3.66Å; F451-Y473 HydrophobicContact CD2-CE1 4.15Å; F451-Y473 HydrophobicContact CD2-CE2 4.46Å; F451-Y473 HydrophobicContact CG-CE1 4.41Å; A471-Y473 HydrophobicContact CB-CD2 4.42Å; A471-Y473 HydrophobicContact CB-CE2 3.68Å; Y473-I479 HydrophobicContact CD2-CD1 3.62Å; Y473-I479 HydrophobicContact CE2-CD1 4.43Å; Y473-I479 HydrophobicContact CG-CD1 3.88Å; Y473-I482 HydrophobicContact CD1-CD1 3.79Å; Y473-I482 HydrophobicContact CE1-CD1 3.82Å; Y473-I482 HydrophobicContact CE1-CG2 4.13Å; Y473-I482 HydrophobicContact CE2-CG2 4.18Å; Y473-I482 HydrophobicContact CG-CD1 4.46Å
474	D	91.5	Very high	89.2	Confident	65 Å²	65	53 Å²	53	35%	0.348	26%	0.256	S	S	.	.			trans	-56.7	138.9	173.8	-73.1	-47.4	0	0	0	112.2	G450 S476 V477	G450-D474 WeakPolarHBondContact CA-OD2 3.32Å; G450-D474 PolarHBondContact O-N 3.24Å; D474-S476 PolarHBondContact O-N 3.14Å; D474-S476 VanDerWaalsContact O-N 3.14Å; D474-V477 HydrophobicContact CB-CG2 3.97Å; D474-V477 PolarHBondContact O-N 3.25Å; D474-V477 VanDerWaalsContact O-N 3.15Å
475	P	88.2	Confident	89.7	Confident	66 Å²	66	48.1 Å²	48.1	43%	0.429	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.2	-179	30.4	-38	0	0	0	113.5	K423 V477	K423-P475 HydrophobicContact CB-CB 4.28Å; K423-P475 WeakPolarHBondContact O-CB 3.38Å; K423-P475 WeakPolarHBondContact O-CD 3.5Å; K423-P475 WeakPolarHBondContact O-CG 3.48Å; P475-V477 VanDerWaalsContact C-N 3.29Å
476	S	87.7	Confident	90	Very high	108 Å²	108	47.9 Å²	47.9	76%	0.755	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-13	176.2	58.6	0	0	0	0	113.6	D474	D474-S476 PolarHBondContact O-N 3.14Å; D474-S476 VanDerWaalsContact O-N 3.14Å
477	V	90.9	Very high	90	Very high	34 Å²	34	46.4 Å²	46.4	21%	0.206	24%	0.235	C	C	.	.	S	Bend	trans	-98.1	141.7	-169	-175.1	0	0	0	0	111.8	P449 D474 P475 I479 I482	P449-V477 HydrophobicContact CG-CG1 4.49Å; D474-V477 HydrophobicContact CB-CG2 3.97Å; D474-V477 PolarHBondContact O-N 3.25Å; D474-V477 VanDerWaalsContact O-N 3.15Å; P475-V477 VanDerWaalsContact C-N 3.29Å; V477-I479 VanDerWaalsContact C-N 3.32Å; V477-I479 PolarHBondContact O-N 3.17Å; V477-I482 HydrophobicContact CG1-CD1 3.47Å; V477-I482 VanDerWaalsContact CG1-CD1 3.47Å; V477-I482 HydrophobicContact CG1-CG1 4.36Å
478	N	91.1	Very high	89.7	Confident	87 Å²	87	49 Å²	49	47%	0.465	25%	0.252	S	S	.	.			trans	-75.2	82.7	-179.1	-166.5	-44.9	0	0	0	111.5	K480 K481 I482	N478-K480 PolarHBondContact O-N 2.98Å; N478-K481 HydrophobicContact CB-CD 4.18Å; N478-K481 HydrophobicContact CB-CG 4.29Å; N478-K481 WeakPolarHBondContact O-CB 3.4Å; N478-K481 PolarHBondContact O-N 3.01Å; N478-K481 PolarHBondContact OD1-N 2.94Å; N478-I482 PolarHBondContact O-N 3.28Å
479	I	91.1	Very high	89.2	Confident	23 Å²	23	49.2 Å²	49.2	12%	0.118	26%	0.255	C	S	.	.	H	α-helix	trans	-54.1	-29.2	-174.7	-158	66.7	0	0	0	113.9	A425 I427 Y473 V477 I482 C483 V507	A425-I479 HydrophobicContact CB-CB 4.06Å; A425-I479 HydrophobicContact CB-CD1 3.88Å; A425-I479 HydrophobicContact CB-CG1 4.01Å; I427-I479 HydrophobicContact CD1-CD1 3.85Å; I427-I479 HydrophobicContact CD1-CG1 4.2Å; I427-I479 HydrophobicContact CG1-CD1 3.73Å; I427-I479 HydrophobicContact CG1-CG1 3.81Å; Y473-I479 HydrophobicContact CD2-CD1 3.62Å; Y473-I479 HydrophobicContact CE2-CD1 4.43Å; Y473-I479 HydrophobicContact CG-CD1 3.88Å; V477-I479 VanDerWaalsContact C-N 3.32Å; V477-I479 PolarHBondContact O-N 3.17Å; I479-I482 PolarHBondContact O-N 3.31Å; I479-C483 WeakPolarHBondContact O-CB 3.34Å; I479-C483 PolarHBondContact O-N 2.93Å; I479-V507 HydrophobicContact CG1-CG1 4.44Å; I479-V507 HydrophobicContact CG2-CG1 3.72Å; I479-V507 HydrophobicContact CG2-CG2 4.36Å
480	K	91.6	Very high	88	Confident	157 Å²	157	53.4 Å²	53.4	68%	0.683	29%	0.285	S	S	*	.	H	α-helix	trans	-67	-36.2	177	-64.5	-180	-179.1	177.8	0	112.1	N478 W484 V507	N478-K480 PolarHBondContact O-N 2.98Å; K480-W484 PolarHBondContact O-N 3.35Å; K480-W484 VanDerWaalsContact O-N 3.14Å; K480-V507 HydrophobicContact CG-CG2 4.29Å
481	K	91.9	Very high	86.8	Confident	148 Å²	148	56.1 Å²	56.1	64%	0.643	30%	0.3	S	S	*	.	H	α-helix	trans	-68.5	-42	174.2	-66.9	-177.1	-179.2	-177.3	0	111.4	N478 W484 A485	N478-K481 HydrophobicContact CB-CD 4.18Å; N478-K481 HydrophobicContact CB-CG 4.29Å; N478-K481 WeakPolarHBondContact O-CB 3.4Å; N478-K481 PolarHBondContact O-N 3.01Å; N478-K481 PolarHBondContact OD1-N 2.94Å; K481-W484 PolarHBondContact O-N 3.37Å; K481-A485 WeakPolarHBondContact O-CB 3.2Å; K481-A485 PolarHBondContact O-N 2.93Å
482	I	91.2	Very high	85.6	Confident	6 Å²	6	56.6 Å²	56.6	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-64.6	-46.7	177.3	-64.5	-175.3	0	0	0	110.7	I427 Q448 Y473 V477 N478 I479 W484 A485 L486	I427-I482 HydrophobicContact CD1-CB 3.99Å; I427-I482 HydrophobicContact CD1-CG2 3.48Å; I427-I482 VanDerWaalsContact CD1-CG2 3.48Å; Q448-I482 HydrophobicContact CB-CD1 4.08Å; Q448-I482 HydrophobicContact CB-CG1 4.32Å; Q448-I482 HydrophobicContact CB-CG2 3.91Å; Q448-I482 HydrophobicContact CG-CG2 3.95Å; Y473-I482 HydrophobicContact CD1-CD1 3.79Å; Y473-I482 HydrophobicContact CE1-CD1 3.82Å; Y473-I482 HydrophobicContact CE1-CG2 4.13Å; Y473-I482 HydrophobicContact CE2-CG2 4.18Å; Y473-I482 HydrophobicContact CG-CD1 4.46Å; V477-I482 HydrophobicContact CG1-CD1 3.47Å; V477-I482 VanDerWaalsContact CG1-CD1 3.47Å; V477-I482 HydrophobicContact CG1-CG1 4.36Å; N478-I482 PolarHBondContact O-N 3.28Å; I479-I482 PolarHBondContact O-N 3.31Å; I482-W484 VanDerWaalsContact C-N 3.26Å; I482-W484 PolarHBondContact O-N 3.31Å; I482-A485 PolarHBondContact O-N 3.38Å; I482-A485 VanDerWaalsContact O-N 3.11Å; I482-L486 HydrophobicContact CG2-CD1 3.9Å; I482-L486 HydrophobicContact CG2-CG 4.23Å; I482-L486 WeakPolarHBondContact O-CG 3.23Å; I482-L486 PolarHBondContact O-N 3.3Å
483	C	90	Very high	84.3	Confident	12 Å²	12	64.6 Å²	64.6	8%	0.081	33%	0.332	C	S	.	.	H	α-helix	trans	-58.4	-37.1	176.1	-174.2	0	0	0	0	112.3	I427 I479 N487 A505 V507	I427-C483 HydrophobicContact CD1-CB 3.97Å; I427-C483 HydrophobicContact CG1-CB 4.28Å; I479-C483 WeakPolarHBondContact O-CB 3.34Å; I479-C483 PolarHBondContact O-N 2.93Å; C483-N487 PolarHBondContact O-N 2.85Å; C483-N487 PolarHBondContact O-ND2 3.14Å; C483-A505 PolarHBondContact SG-O 3.33Å; C483-V507 HydrophobicContact CB-CG2 3.56Å
484	W	87.6	Confident	82.8	Confident	188 Å²	188	71.5 Å²	71.5	71%	0.712	37%	0.365	S	S	*	.	H	α-helix	trans	-68.6	-46	173.3	-172.9	80.7	0	0	0	112	K480 K481 I482 L486 N487 T488	K480-W484 PolarHBondContact O-N 3.35Å; K480-W484 VanDerWaalsContact O-N 3.14Å; K481-W484 PolarHBondContact O-N 3.37Å; I482-W484 VanDerWaalsContact C-N 3.26Å; I482-W484 PolarHBondContact O-N 3.31Å; W484-L486 PolarHBondContact O-N 2.98Å; W484-N487 PolarHBondContact O-N 3.15Å; W484-T488 HydrophobicContact CD2-CG2 4.45Å; W484-T488 HydrophobicContact CH2-CG2 4.42Å; W484-T488 HydrophobicContact CZ2-CG2 4.32Å; W484-T488 PolarHBondContact O-N 3.28Å; W484-T488 VanDerWaalsContact O-N 3.17Å
485	A	87.5	Confident	81.4	Confident	26 Å²	26	71.7 Å²	71.7	22%	0.215	36%	0.362	C	S	.	.	H	α-helix	trans	-60	-45.9	178.7	0	0	0	0	0	112.7	K481 I482 N487 T488 S489	K481-A485 WeakPolarHBondContact O-CB 3.2Å; K481-A485 PolarHBondContact O-N 2.93Å; I482-A485 PolarHBondContact O-N 3.38Å; I482-A485 VanDerWaalsContact O-N 3.11Å; A485-N487 VanDerWaalsContact C-N 3.33Å; A485-N487 PolarHBondContact O-N 3.45Å; A485-T488 WeakPolarHBondContact O-CA 3.45Å; A485-T488 PolarHBondContact O-N 3.02Å; A485-T488 PolarHBondContact O-OG1 3.29Å; A485-S489 PolarHBondContact O-N 3.32Å
486	L	86.5	Confident	80.2	Confident	4 Å²	4	69.7 Å²	69.7	2%	0.021	35%	0.348	C	S	.	.	H	α-helix	trans	-60.1	-42.2	176.5	-68.3	172.9	0	0	0	111.6	I427 F429 Q448 I482 W484 T488 S489	I427-L486 HydrophobicContact CD1-CD1 3.83Å; I427-L486 HydrophobicContact CG2-CD1 4.36Å; F429-L486 HydrophobicContact CZ-CD1 4.18Å; Q448-L486 HydrophobicContact CG-CD2 4.16Å; I482-L486 HydrophobicContact CG2-CD1 3.9Å; I482-L486 HydrophobicContact CG2-CG 4.23Å; I482-L486 WeakPolarHBondContact O-CG 3.23Å; I482-L486 PolarHBondContact O-N 3.3Å; W484-L486 PolarHBondContact O-N 2.98Å; L486-T488 PolarHBondContact O-N 3.02Å; L486-S489 VanDerWaalsContact O-CB 3.29Å; L486-S489 WeakPolarHBondContact O-CB 3.38Å; L486-S489 PolarHBondContact O-N 2.92Å; L486-S489 PolarHBondContact O-OG 3.25Å
487	N	83.3	Confident	78.6	Confident	15 Å²	15	73.2 Å²	73.2	8%	0.08	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.9	173.6	-77.5	-54	0	0	0	114.6	C483 W484 A485 R493 L503 A505	C483-N487 PolarHBondContact O-N 2.85Å; C483-N487 PolarHBondContact O-ND2 3.14Å; W484-N487 PolarHBondContact O-N 3.15Å; A485-N487 VanDerWaalsContact C-N 3.33Å; A485-N487 PolarHBondContact O-N 3.45Å; N487-R493 PolarHBondContact O-NE 2.8Å; N487-R493 PolarHBondContact O-NH2 3.4Å; N487-L503 HydrophobicContact CB-CD1 4.49Å; N487-L503 HydrophobicContact CB-CD2 4.11Å; N487-A505 PolarHBondContact ND2-O 3.41Å; N487-A505 PolarHBondContact OD1-N 3.04Å
488	T	80.1	Confident	77	Confident	63 Å²	63	74.2 Å²	74.2	39%	0.387	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-8.3	167.5	61.2	0	0	0	0	113.9	W484 A485 L486	W484-T488 HydrophobicContact CD2-CG2 4.45Å; W484-T488 HydrophobicContact CH2-CG2 4.42Å; W484-T488 HydrophobicContact CZ2-CG2 4.32Å; W484-T488 PolarHBondContact O-N 3.28Å; W484-T488 VanDerWaalsContact O-N 3.17Å; A485-T488 WeakPolarHBondContact O-CA 3.45Å; A485-T488 PolarHBondContact O-N 3.02Å; A485-T488 PolarHBondContact O-OG1 3.29Å; L486-T488 PolarHBondContact O-N 3.02Å
489	S	77.4	Confident	75.1	Confident	22 Å²	22	76 Å²	76	15%	0.154	37%	0.373	C	S	.	.			trans	-68.8	141.4	-178.9	72.4	0	0	0	0	113	A485 L486 L491 R493	A485-S489 PolarHBondContact O-N 3.32Å; L486-S489 VanDerWaalsContact O-CB 3.29Å; L486-S489 WeakPolarHBondContact O-CB 3.38Å; L486-S489 PolarHBondContact O-N 2.92Å; L486-S489 PolarHBondContact O-OG 3.25Å; S489-L491 PolarHBondContact O-N 2.86Å; S489-R493 WeakPolarHBondContact O-CG 3.32Å; S489-R493 PolarHBondContact O-N 2.81Å
490	S	66.4	Low	73.2	Confident	89 Å²	89	80.8 Å²	80.8	62%	0.622	40%	0.398	S	S	*	.	H	α-helix	trans	-63.5	-42.3	-178.1	-48.1	0	0	0	0	112.6	L492 R493 E494	S490-L492 VanDerWaalsContact C-N 3.33Å; S490-L492 PolarHBondContact O-N 2.87Å; S490-R493 PolarHBondContact O-N 2.83Å; S490-R493 VanDerWaalsContact O-N 3.08Å; S490-E494 WeakPolarHBondContact O-CB 3.38Å; S490-E494 PolarHBondContact O-N 2.9Å
491	L	67.5	Low	71.4	Confident	66 Å²	66	76.4 Å²	76.4	35%	0.346	40%	0.398	S	S	.	.	H	α-helix	trans	-62	-37.2	-175.2	-74.3	179.9	0	0	0	113.1	L444 S489 K495	L444-L491 HydrophobicContact CD1-CB 3.9Å; L444-L491 HydrophobicContact CD1-CD1 3.92Å; L444-L491 HydrophobicContact CD2-CB 4.49Å; L444-L491 HydrophobicContact CD2-CD1 4.11Å; L444-L491 HydrophobicContact CG-CD1 4.05Å; S489-L491 PolarHBondContact O-N 2.86Å; L491-K495 WeakPolarHBondContact O-CB 3.41Å; L491-K495 WeakPolarHBondContact O-CG 3.45Å; L491-K495 PolarHBondContact O-N 2.89Å
492	L	68.7	Low	69.6	Low	10 Å²	10	74 Å²	74	5%	0.052	39%	0.389	C	S	.	.	H	α-helix	trans	-72.3	-42.3	172.6	-65.9	-179.9	0	0	0	111	F429 L432 S490 E494 L496	F429-L492 HydrophobicContact CE1-CD1 3.94Å; L432-L492 HydrophobicContact CD2-CD2 4.28Å; S490-L492 VanDerWaalsContact C-N 3.33Å; S490-L492 PolarHBondContact O-N 2.87Å; L492-E494 VanDerWaalsContact C-N 3.34Å; L492-E494 PolarHBondContact O-N 3.11Å; L492-L496 WeakPolarHBondContact O-CA 3.3Å; L492-L496 WeakPolarHBondContact O-CB 3.34Å; L492-L496 PolarHBondContact O-N 2.93Å
493	R	65.5	Low	68	Low	167 Å²	167	79 Å²	79	63%	0.63	42%	0.415	S	S	*	.	H	α-helix	trans	-67.2	-30	-179.4	-70.5	179.6	175.3	-147.9	-3.4	114.6	N487 S489 S490	N487-R493 PolarHBondContact O-NE 2.8Å; N487-R493 PolarHBondContact O-NH2 3.4Å; S489-R493 WeakPolarHBondContact O-CG 3.32Å; S489-R493 PolarHBondContact O-N 2.81Å; S490-R493 PolarHBondContact O-N 2.83Å; S490-R493 VanDerWaalsContact O-N 3.08Å
494	E	63.4	Low	67.1	Low	146 Å²	146	78.7 Å²	78.7	68%	0.682	42%	0.415	S	S	*	.	H	α-helix	trans	-85.3	-37.1	179.9	-174.7	177.5	-171.9	0	0	112.2	S490 L492	S490-E494 WeakPolarHBondContact O-CB 3.38Å; S490-E494 PolarHBondContact O-N 2.9Å; L492-E494 VanDerWaalsContact C-N 3.34Å; L492-E494 PolarHBondContact O-N 3.11Å
495	K	62.6	Low	66.9	Low	69 Å²	69	69.9 Å²	69.9	30%	0.3	38%	0.381	S	S	.	.	H	α-helix	trans	-92.9	-16.4	-178.1	-61.4	-172	178.5	-169.9	0	114.3	I436 E440 L491	I436-K495 HydrophobicContact CD1-CB 4.18Å; I436-K495 HydrophobicContact CD1-CD 4.47Å; I436-K495 HydrophobicContact CG1-CB 4.32Å; I436-K495 HydrophobicContact CG1-CD 3.91Å; E440-K495 IonicContact OE1-NZ 2.94Å; E440-K495 IonicContact OE2-NZ 2.73Å; E440-K495 PolarHBondContact OE2-NZ 3.35Å; L491-K495 WeakPolarHBondContact O-CB 3.41Å; L491-K495 WeakPolarHBondContact O-CG 3.45Å; L491-K495 PolarHBondContact O-N 2.89Å
496	L	62.5	Low	66.9	Low	23 Å²	23	71.2 Å²	71.2	12%	0.12	39%	0.387	C	S	.	.			trans	-113.3	70.2	-174.7	-166	68.2	0	0	0	112.5	A431 P433 M466 L492 L498 G504	A431-L496 WeakPolarHBondContact O-CD1 3.42Å; P433-L496 HydrophobicContact CG-CD1 4.26Å; M466-L496 HydrophobicContact CE-CD1 4.18Å; L492-L496 WeakPolarHBondContact O-CA 3.3Å; L492-L496 WeakPolarHBondContact O-CB 3.34Å; L492-L496 PolarHBondContact O-N 2.93Å; L496-L498 HydrophobicContact CD1-CD1 4.31Å; L496-L498 HydrophobicContact CD1-CG 4.14Å; L496-L498 HydrophobicContact CD2-CD1 3.81Å; L496-L498 HydrophobicContact CD2-CG 4.39Å; L496-L498 HydrophobicContact CG-CD1 3.91Å; L496-L498 HydrophobicContact CG-CG 3.93Å; L496-L498 PolarHBondContact O-N 3.09Å; L496-G504 VanDerWaalsContact CD2-CA 3.47Å
497	E	54.8	Low	67.1	Low	183 Å²	183	73.7 Å²	73.7	86%	0.855	40%	0.402	S	S	*	.			trans	-72.1	70.8	170	-64.1	-167.9	154.2	0	0	111.5
498	L	55.7	Low	67.4	Low	54 Å²	54	74.6 Å²	74.6	28%	0.283	41%	0.407	S	S	.	.			trans	-71	125.8	169.7	-79.8	167.3	0	0	0	109.8	A431 L496 N500 G501 E502	A431-L498 HydrophobicContact CB-CD2 4.45Å; L496-L498 HydrophobicContact CD1-CD1 4.31Å; L496-L498 HydrophobicContact CD1-CG 4.14Å; L496-L498 HydrophobicContact CD2-CD1 3.81Å; L496-L498 HydrophobicContact CD2-CG 4.39Å; L496-L498 HydrophobicContact CG-CD1 3.91Å; L496-L498 HydrophobicContact CG-CG 3.93Å; L496-L498 PolarHBondContact O-N 3.09Å; L498-N500 PolarHBondContact O-N 2.85Å; L498-G501 PolarHBondContact O-N 3.37Å; L498-E502 WeakPolarHBondContact CD1-O 3.44Å
499	P	52.9	Low	67.8	Low	125 Å²	125	81.8 Å²	81.8	81%	0.812	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.4	-171.9	-30	35.8	0	0	0	116.3
500	N	51.2	Low	68.1	Low	123 Å²	123	86.5 Å²	86.5	66%	0.658	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-4.9	-176.4	-61.4	-4.4	0	0	0	113.5	L498 E502	L498-N500 PolarHBondContact O-N 2.85Å; N500-E502 HydrophobicContact CB-CG 3.91Å; N500-E502 WeakPolarHBondContact CB-OE1 3.47Å; N500-E502 PolarHBondContact ND2-OE1 3.44Å; N500-E502 PolarHBondContact O-N 3.17Å
501	G	52	Low	69	Low	66 Å²	66	83.6 Å²	83.6	68%	0.68	43%	0.428	S	S	*	.			trans	67.7	18.3	-169	0	0	0	0	0	114.1	L498	L498-G501 PolarHBondContact O-N 3.37Å
502	E	55.1	Low	69.6	Low	98 Å²	98	85.1 Å²	85.1	46%	0.458	45%	0.45	S	S	.	.			trans	-66.3	145.4	178.5	-80.4	173.9	-128.9	0	0	112.1	R430 L498 N500 G504	R430-E502 IonicContact NH1-OE2 2.81Å; R430-E502 PolarHBondContact NH1-OE2 3.4Å; L498-E502 WeakPolarHBondContact CD1-O 3.44Å; N500-E502 HydrophobicContact CB-CG 3.91Å; N500-E502 WeakPolarHBondContact CB-OE1 3.47Å; N500-E502 PolarHBondContact ND2-OE1 3.44Å; N500-E502 PolarHBondContact O-N 3.17Å; E502-G504 PolarHBondContact O-N 3.41Å
503	L	57.5	Low	70.4	Confident	110 Å²	110	89 Å²	89	58%	0.576	47%	0.468	S	S	*	.			trans	-72.4	122.2	-178.2	-62.3	-174	0	0	0	111.1	N487 A505	N487-L503 HydrophobicContact CB-CD1 4.49Å; N487-L503 HydrophobicContact CB-CD2 4.11Å; L503-A505 VanDerWaalsContact C-N 3.34Å; L503-A505 PolarHBondContact O-N 3.43Å
504	G	71.3	Confident	71.5	Confident	6 Å²	6	83 Å²	83	6%	0.062	45%	0.445	C	S	.	.	S	Bend	trans	-66.4	-32.5	-178.6	0	0	0	0	0	114.2	F429 R430 L496 E502	F429-G504 WeakPolarHBondContact CA-O 3.46Å; R430-G504 PolarHBondContact N-O 3.19Å; R430-G504 VanDerWaalsContact N-O 3.11Å; L496-G504 VanDerWaalsContact CD2-CA 3.47Å; E502-G504 PolarHBondContact O-N 3.41Å
505	A	83.9	Confident	72.8	Confident	2 Å²	2	76.4 Å²	76.4	2%	0.017	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	134.3	179.1	0	0	0	0	0	111.4	I427 F429 C483 N487 L503	I427-A505 HydrophobicContact CG2-CB 3.95Å; F429-A505 HydrophobicContact CD1-CB 3.78Å; F429-A505 HydrophobicContact CE1-CB 3.64Å; F429-A505 HydrophobicContact CZ-CB 4.48Å; C483-A505 PolarHBondContact SG-O 3.33Å; N487-A505 PolarHBondContact ND2-O 3.41Å; N487-A505 PolarHBondContact OD1-N 3.04Å; L503-A505 VanDerWaalsContact C-N 3.34Å; L503-A505 PolarHBondContact O-N 3.43Å
506	T	87.6	Confident	74.1	Confident	55 Å²	55	74.6 Å²	74.6	34%	0.337	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	150.9	-178.9	57.2	0	0	0	0	110.4	I427 F428 N508	I427-T506 CarbonylContact C-O 3.47Å; I427-T506 VanDerWaalsContact CA-O 3.3Å; I427-T506 WeakPolarHBondContact CA-O 3.45Å; I427-T506 WeakPolarHBondContact CG2-O 3.45Å; F428-T506 PolarHBondContact N-O 2.84Å; F428-T506 PolarHBondContact O-N 3.16Å; F428-T506 PolarHBondContact O-OG1 3.25Å; T506-N508 PolarHBondContact O-N 2.81Å
507	V	90.4	Very high	75.3	Confident	55 Å²	55	77.3 Å²	77.3	33%	0.333	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.6	172.2	178.1	0	0	0	0	108.1	I479 K480 C483	I479-V507 HydrophobicContact CG1-CG1 4.44Å; I479-V507 HydrophobicContact CG2-CG1 3.72Å; I479-V507 HydrophobicContact CG2-CG2 4.36Å; K480-V507 HydrophobicContact CG-CG2 4.29Å; C483-V507 HydrophobicContact CB-CG2 3.56Å
508	N	89.1	Confident	76.8	Confident	35 Å²	35	70.3 Å²	70.3	19%	0.187	39%	0.394	C	S	.	.			trans	-70.1	157.5	176.8	-167.9	30.6	0	0	0	110.6	S426 F428 T506	S426-N508 WeakPolarHBondContact O-CB 3.44Å; S426-N508 PolarHBondContact O-N 2.82Å; S426-N508 WeakPolarHBondContact OG-CB 3.3Å; S426-N508 PolarHBondContact OG-ND2 2.76Å; F428-N508 HydrophobicContact CB-CB 4.27Å; T506-N508 PolarHBondContact O-N 2.81Å
509	R	87.7	Confident	78.1	Confident	214 Å²	214	71.1 Å²	71.1	81%	0.808	40%	0.401	S	S	*	.			trans	-106.5	144.8	176	-63.9	179.5	66.3	172	-1.7	109.7
510	D	85.3	Confident	79.5	Confident	121 Å²	121	65.6 Å²	65.6	65%	0.647	37%	0.365	S	S	*	.			trans	-66.2	145.9	171.5	-53.8	-61.6	0	0	0	110.7	A512	D510-A512 PolarHBondContact O-N 3.15Å
511	L	83.7	Confident	81.1	Confident	27 Å²	27	60.3 Å²	60.3	14%	0.141	34%	0.337	C	S	.	.			trans	-59.3	117.5	-177.7	-60.3	171.2	0	0	0	111.4	Q513 R514 H679 I683 Y992	L511-Q513 PolarHBondContact O-N 3.14Å; L511-R514 HydrophobicContact CB-CG 4.07Å; L511-R514 HydrophobicContact CD1-CG 4.23Å; L511-H679 HydrophobicContact CD1-CB 4.29Å; L511-I683 HydrophobicContact CD1-CG1 4.3Å; L511-Y992 HydrophobicContact CD1-CE1 3.89Å; L511-Y992 HydrophobicContact CD2-CD1 3.74Å; L511-Y992 HydrophobicContact CD2-CE1 3.73Å; L511-Y992 HydrophobicContact CG-CE1 4.47Å
512	A	81.3	Confident	82.7	Confident	98 Å²	98	57.3 Å²	57.3	81%	0.81	31%	0.305	S	S	*	.	S	Bend	trans	-70.2	-32.9	-177.7	0	0	0	0	0	112.8	D510	D510-A512 PolarHBondContact O-N 3.15Å
513	Q	84.9	Confident	84.2	Confident	91 Å²	91	55.6 Å²	55.6	43%	0.425	30%	0.295	S	S	.	.			trans	-138.5	103.3	177	-174.5	171.1	9.9	0	0	111.5	L511 V515 R516 P517	L511-Q513 PolarHBondContact O-N 3.14Å; Q513-V515 WeakPolarHBondContact CG-O 3.28Å; Q513-V515 PolarHBondContact NE2-O 2.91Å; Q513-R516 HydrophobicContact CG-CG 4.12Å; Q513-R516 PolarHBondContact O-NE 3.25Å; Q513-R516 PolarHBondContact O-NH2 3.34Å; Q513-P517 VanDerWaalsContact NE2-CD 3.35Å
514	R	88.8	Confident	85.6	Confident	41 Å²	41	50.8 Å²	50.8	16%	0.155	27%	0.269	C	S	.	.	S	Bend	trans	-76.8	-49.1	175.4	-66.9	178.3	72.2	-178.8	7	112.2	I207 D211 L511 C681 G682 I683 L684	I207-R514 HydrophobicContact CG1-CB 4.46Å; D211-R514 IonicContact OD1-CZ 2.69Å; D211-R514 IonicContact OD1-NH1 3.69Å; D211-R514 PolarHBondContact OD1-NH1 2.79Å; D211-R514 IonicContact OD1-NH2 3.11Å; D211-R514 PolarHBondContact OD1-NH2 3.19Å; D211-R514 IonicContact OD2-NH1 3.76Å; D211-R514 PolarHBondContact OD2-NH1 2.93Å; L511-R514 HydrophobicContact CB-CG 4.07Å; L511-R514 HydrophobicContact CD1-CG 4.23Å; R514-C681 PolarHBondContact NH2-O 2.94Å; R514-G682 WeakPolarHBondContact CB-O 3.34Å; R514-G682 WeakPolarHBondContact CG-O 3.28Å; R514-G682 PolarHBondContact NE-O 2.98Å; R514-G682 VanDerWaalsContact NE-O 3.13Å; R514-I683 CarbonylContact O-C 3.5Å; R514-I683 WeakPolarHBondContact O-CA 3.39Å; R514-L684 PolarHBondContact O-N 3.02Å
515	V	90.3	Very high	86.3	Confident	8 Å²	8	52.1 Å²	52.1	5%	0.048	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.7	178.5	-176.5	0	0	0	0	110.3	M200 L206 I207 Q513 L684 A686	M200-V515 HydrophobicContact CE-CG1 3.79Å; M200-V515 HydrophobicContact SD-CG1 4.33Å; L206-V515 HydrophobicContact CB-CG2 4.32Å; I207-V515 HydrophobicContact CD1-CG2 4.17Å; I207-V515 HydrophobicContact CG1-CG2 3.76Å; Q513-V515 WeakPolarHBondContact CG-O 3.28Å; Q513-V515 PolarHBondContact NE2-O 2.91Å; V515-L684 CarbonylContact C-O 3.56Å; V515-L684 VanDerWaalsContact CA-O 3.28Å; V515-L684 WeakPolarHBondContact CA-O 3.21Å; V515-A686 HydrophobicContact CG1-CB 3.72Å
516	R	90.2	Very high	86.4	Confident	31 Å²	31	54.6 Å²	54.6	12%	0.117	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.3	-172.2	-66.4	-176.1	-175.9	-129.8	-4.5	112.2	Q513 I683 L684 H685 A686 L995 D996	Q513-R516 HydrophobicContact CG-CG 4.12Å; Q513-R516 PolarHBondContact O-NE 3.25Å; Q513-R516 PolarHBondContact O-NH2 3.34Å; R516-I683 HydrophobicContact CG-CG2 4.33Å; R516-L684 PolarHBondContact N-O 3.17Å; R516-H685 WeakPolarHBondContact O-CA 3.46Å; R516-A686 PolarHBondContact O-N 3Å; R516-L995 PolarHBondContact NH1-O 3.05Å; R516-L995 PolarHBondContact NH2-O 2.98Å; R516-D996 IonicContact CZ-OD1 2.75Å; R516-D996 IonicContact NH2-OD1 3.94Å; R516-D996 PolarHBondContact NH2-OD1 2.84Å
517	P	88.5	Confident	86.5	Confident	80 Å²	80	52 Å²	52	52%	0.519	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	138.9	-175.3	30.4	-35.9	0	0	0	113.4	M200 Q513	M200-P517 VanDerWaalsContact CE-CA 3.48Å; M200-P517 HydrophobicContact CE-CB 3.77Å; Q513-P517 VanDerWaalsContact NE2-CD 3.35Å
518	L	84.5	Confident	86.5	Confident	37 Å²	37	49.4 Å²	49.4	19%	0.194	26%	0.257	C	S	.	.			trans	-100.9	175.4	173.9	-65.2	164.7	0	0	0	112.3	Y666 H685 A686	L518-Y666 HydrophobicContact CD1-CD1 3.77Å; L518-Y666 HydrophobicContact CD1-CD2 3.35Å; L518-Y666 HydrophobicContact CD1-CE1 4.38Å; L518-Y666 HydrophobicContact CD1-CE2 4Å; L518-Y666 HydrophobicContact CD1-CG 3.21Å; L518-Y666 HydrophobicContact CG-CG 4.47Å; L518-H685 HydrophobicContact CD1-CB 4.09Å; L518-H685 HydrophobicContact CD2-CB 3.93Å; L518-H685 HydrophobicContact CG-CB 4.02Å; L518-A686 WeakPolarHBondContact CB-O 3.32Å; L518-A686 WeakPolarHBondContact CG-O 3.38Å; L518-A686 PolarHBondContact N-O 3.4Å
519	T	84.5	Confident	86.5	Confident	70 Å²	70	49.9 Å²	49.9	43%	0.429	26%	0.257	S	S	.	.			trans	-66.7	140.1	168.5	75.2	0	0	0	0	110.6	L521 T522	T519-L521 PolarHBondContact O-N 3.29Å; T519-L521 VanDerWaalsContact O-N 3.07Å; T519-T522 PolarHBondContact O-N 2.88Å; T519-T522 PolarHBondContact O-OG1 3.11Å
520	P	81.9	Confident	86.5	Confident	10 Å²	10	41.1 Å²	41.1	7%	0.065	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-63.3	-13	178.9	23.7	-35.6	0	0	0	114.5	T522 R523 G688 L703 F705	P520-T522 PolarHBondContact O-N 3.48Å; P520-R523 WeakPolarHBondContact O-CB 3.05Å; P520-R523 PolarHBondContact O-N 3.33Å; P520-G688 WeakPolarHBondContact CA-O 3.32Å; P520-G688 VanDerWaalsContact CB-O 3.25Å; P520-G688 WeakPolarHBondContact CB-O 3.3Å; P520-L703 HydrophobicContact CB-CD1 3.52Å; P520-L703 HydrophobicContact CG-CD1 3.73Å; P520-F705 HydrophobicContact CB-CZ 4.23Å; P520-F705 HydrophobicContact CG-CE1 4.25Å; P520-F705 HydrophobicContact CG-CZ 3.88Å
521	L	84.7	Confident	86.8	Confident	11 Å²	11	35.4 Å²	35.4	6%	0.058	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59.4	-26.6	177.6	-168.5	53.6	0	0	0	112.5	T519 R523 H524 F705 I710 H713	T519-L521 PolarHBondContact O-N 3.29Å; T519-L521 VanDerWaalsContact O-N 3.07Å; L521-R523 PolarHBondContact O-N 3.36Å; L521-H524 HydrophobicContact CD1-CB 4.47Å; L521-H524 VanDerWaalsContact O-CB 3.25Å; L521-H524 WeakPolarHBondContact O-CB 3.25Å; L521-H524 PolarHBondContact O-N 2.88Å; L521-H524 VanDerWaalsContact O-N 3.08Å; L521-F705 HydrophobicContact CB-CE1 4.43Å; L521-F705 HydrophobicContact CD1-CB 4.26Å; L521-F705 HydrophobicContact CD1-CD1 4.04Å; L521-F705 HydrophobicContact CD1-CD2 4.01Å; L521-F705 HydrophobicContact CD1-CE1 4.42Å; L521-F705 HydrophobicContact CD1-CE2 4.4Å; L521-F705 HydrophobicContact CD1-CG 3.83Å; L521-I710 HydrophobicContact CD1-CG1 3.76Å; L521-H713 HydrophobicContact CD2-CB 3.49Å; L521-H713 VanDerWaalsContact CD2-CB 3.49Å; L521-H713 HydrophobicContact CG-CB 4.39Å
522	T	86.1	Confident	87.1	Confident	4 Å²	4	34.2 Å²	34.2	3%	0.025	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-66.2	-8.1	173.1	56	0	0	0	0	114.8	T519 P520 M528 Y666 R687	T519-T522 PolarHBondContact O-N 2.88Å; T519-T522 PolarHBondContact O-OG1 3.11Å; P520-T522 PolarHBondContact O-N 3.48Å; T522-M528 WeakPolarHBondContact O-CG 3.47Å; T522-Y666 HydrophobicContact CG2-CD1 4.28Å; T522-Y666 HydrophobicContact CG2-CE1 4.16Å; T522-R687 VanDerWaalsContact O-CD 3.25Å; T522-R687 WeakPolarHBondContact O-CD 3.27Å; T522-R687 WeakPolarHBondContact OG1-CG 3.41Å
523	R	85.6	Confident	87.5	Confident	62 Å²	62	31 Å²	31	23%	0.234	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-92.8	-5	170.8	-65.7	-172.2	56.3	171.9	-3.4	113.7	P520 L521 M528 L640 R687 D689	P520-R523 WeakPolarHBondContact O-CB 3.05Å; P520-R523 PolarHBondContact O-N 3.33Å; L521-R523 PolarHBondContact O-N 3.36Å; R523-M528 WeakPolarHBondContact O-CE 3.34Å; R523-L640 HydrophobicContact CB-CD1 4.25Å; R523-L640 HydrophobicContact CB-CD2 4.1Å; R523-R687 HydrophobicContact CG-CB 4.08Å; R523-D689 WeakPolarHBondContact CD-OD1 3.46Å; R523-D689 IonicContact CZ-OD1 3.32Å; R523-D689 IonicContact NE-OD1 3.25Å; R523-D689 IonicContact NH1-OD1 3.18Å; R523-D689 PolarHBondContact NH1-OD1 3.01Å
524	H	87.1	Confident	87.7	Confident	9 Å²	9	27.3 Å²	27.3	4%	0.042	14%	0.14	C	C	.	.	S	Bend	trans	-79.5	129.5	-175.6	-172.5	-138.4	0	0	0	111.6	L521 P526 V527 M528 E641	L521-H524 HydrophobicContact CD1-CB 4.47Å; L521-H524 VanDerWaalsContact O-CB 3.25Å; L521-H524 WeakPolarHBondContact O-CB 3.25Å; L521-H524 PolarHBondContact O-N 2.88Å; L521-H524 VanDerWaalsContact O-N 3.08Å; H524-P526 VanDerWaalsContact CE1-CG 3.43Å; H524-P526 WeakPolarHBondContact CE1-CG 3.32Å; H524-V527 HydrophobicContact CB-CB 4.4Å; H524-V527 HydrophobicContact CB-CG2 4.04Å; H524-V527 WeakPolarHBondContact O-CA 3.47Å; H524-V527 VanDerWaalsContact O-CB 3.32Å; H524-V527 WeakPolarHBondContact O-CB 3.42Å; H524-V527 PolarHBondContact O-N 3.44Å; H524-M528 PolarHBondContact O-N 2.84Å; H524-E641 WeakPolarHBondContact CA-O 3.37Å
525	K	86.6	Confident	87.8	Confident	34 Å²	34	25.4 Å²	25.4	15%	0.148	13%	0.133	C	C	.	.	H	α-helix	trans	-39.2	-58.8	-176.1	-178.3	171.1	-173.7	141.8	0	116.3	V527 M528 R529 E641 D643	K525-V527 VanDerWaalsContact C-N 3.27Å; K525-V527 PolarHBondContact O-N 3.4Å; K525-M528 PolarHBondContact O-N 3.27Å; K525-R529 VanDerWaalsContact CE-NH2 3.29Å; K525-R529 PolarHBondContact O-N 3.41Å; K525-E641 HydrophobicContact CB-CB 4.37Å; K525-E641 HydrophobicContact CD-CG 4.09Å; K525-E641 WeakPolarHBondContact CD-OE1 3.35Å; K525-E641 VanDerWaalsContact CD-OE2 3.24Å; K525-E641 WeakPolarHBondContact CD-OE2 3.37Å; K525-E641 PolarHBondContact N-O 2.96Å; K525-E641 IonicContact NZ-OE1 2.75Å; K525-E641 PolarHBondContact NZ-OE1 3.34Å; K525-E641 IonicContact NZ-OE2 2.74Å; K525-D643 WeakPolarHBondContact CD-OD2 3.49Å; K525-D643 WeakPolarHBondContact CE-OD2 3.34Å; K525-D643 WeakPolarHBondContact CG-OD2 3.44Å; K525-D643 VanDerWaalsContact NZ-CG 3.34Å; K525-D643 IonicContact NZ-OD1 3.22Å; K525-D643 PolarHBondContact NZ-OD1 2.93Å; K525-D643 IonicContact NZ-OD2 3.45Å; K525-D643 PolarHBondContact NZ-OD2 2.88Å; K525-D643 VanDerWaalsContact NZ-OD2 3.11Å
526	P	86	Confident	87.8	Confident	53 Å²	53	25 Å²	25	34%	0.344	13%	0.131	S	C	.	.	H	α-helix	trans	-67.6	-24.5	179	27	-36	0	0	0	113.7	H524 Q530	H524-P526 VanDerWaalsContact CE1-CG 3.43Å; H524-P526 WeakPolarHBondContact CE1-CG 3.32Å; P526-Q530 PolarHBondContact O-N 2.82Å; P526-Q530 VanDerWaalsContact O-N 3.15Å
527	V	89.1	Confident	87.6	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-70.6	-46.2	172.4	-174.3	0	0	0	0	109.8	H524 K525 R529 Q530 D531 I710 L714	H524-V527 HydrophobicContact CB-CB 4.4Å; H524-V527 HydrophobicContact CB-CG2 4.04Å; H524-V527 WeakPolarHBondContact O-CA 3.47Å; H524-V527 VanDerWaalsContact O-CB 3.32Å; H524-V527 WeakPolarHBondContact O-CB 3.42Å; H524-V527 PolarHBondContact O-N 3.44Å; K525-V527 VanDerWaalsContact C-N 3.27Å; K525-V527 PolarHBondContact O-N 3.4Å; V527-R529 VanDerWaalsContact C-N 3.31Å; V527-R529 PolarHBondContact O-N 2.86Å; V527-Q530 PolarHBondContact O-N 3.48Å; V527-D531 WeakPolarHBondContact O-CB 3.48Å; V527-D531 PolarHBondContact O-N 3.47Å; V527-I710 HydrophobicContact CG2-CG2 4.3Å; V527-L714 HydrophobicContact CB-CD2 4.34Å; V527-L714 HydrophobicContact CG1-CD2 4.2Å; V527-L714 HydrophobicContact CG2-CD2 4.16Å
528	M	89.5	Confident	87.6	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-60.9	-35.6	175.6	-63	-168.1	-65.7	0	0	113	T522 R523 H524 K525 D531 L532 D643 L646 A647 L650 R687	T522-M528 WeakPolarHBondContact O-CG 3.47Å; R523-M528 WeakPolarHBondContact O-CE 3.34Å; H524-M528 PolarHBondContact O-N 2.84Å; K525-M528 PolarHBondContact O-N 3.27Å; M528-D531 PolarHBondContact O-N 3.16Å; M528-L532 WeakPolarHBondContact O-CB 3.36Å; M528-L532 PolarHBondContact O-N 3.08Å; M528-D643 HydrophobicContact CE-CB 4.41Å; M528-L646 HydrophobicContact CB-CD2 3.69Å; M528-L646 HydrophobicContact CB-CG 4.05Å; M528-L646 HydrophobicContact CE-CD2 4.31Å; M528-A647 HydrophobicContact SD-CB 4.13Å; M528-L650 HydrophobicContact CB-CD2 4.08Å; M528-L650 HydrophobicContact CG-CD2 4.3Å; M528-R687 PolarHBondContact SD-NH1 3.04Å
529	R	88.9	Confident	87.9	Confident	46 Å²	46	18.7 Å²	18.7	17%	0.174	9%	0.094	C	C	.	.	H	α-helix	trans	-67.1	-46.4	174.3	-68.6	-172.5	-172.5	140.8	-17.8	112.1	K525 V527 D531 L532 I533 D604 L646	K525-R529 VanDerWaalsContact CE-NH2 3.29Å; K525-R529 PolarHBondContact O-N 3.41Å; V527-R529 VanDerWaalsContact C-N 3.31Å; V527-R529 PolarHBondContact O-N 2.86Å; R529-D531 VanDerWaalsContact C-N 3.28Å; R529-D531 PolarHBondContact O-N 3.46Å; R529-L532 WeakPolarHBondContact O-CB 3.39Å; R529-L532 PolarHBondContact O-N 2.84Å; R529-I533 WeakPolarHBondContact O-CG1 3.28Å; R529-I533 PolarHBondContact O-N 3.32Å; R529-D604 IonicContact CZ-OD1 3.79Å; R529-D604 IonicContact CZ-OD2 2.78Å; R529-D604 IonicContact NE-OD1 2.74Å; R529-D604 PolarHBondContact NE-OD1 2.84Å; R529-D604 IonicContact NH1-OD1 2.99Å; R529-D604 PolarHBondContact NH1-OD1 3.31Å; R529-D604 IonicContact NH1-OD2 3.9Å; R529-D604 PolarHBondContact NH1-OD2 3.42Å; R529-D604 IonicContact NH2-OD1 3.32Å; R529-D604 PolarHBondContact NH2-OD1 3.34Å; R529-D604 IonicContact NH2-OD2 3.54Å; R529-D604 PolarHBondContact NH2-OD2 3.2Å; R529-L646 HydrophobicContact CG-CD1 4.3Å; R529-L646 HydrophobicContact CG-CD2 3.5Å
530	Q	88	Confident	88.1	Confident	29 Å²	29	15.6 Å²	15.6	14%	0.136	8%	0.076	C	C	.	.	H	α-helix	trans	-64.5	-35.6	176.1	-177.1	57.6	88.1	0	0	111.6	P526 V527 I533 L534 Y579 L714	P526-Q530 PolarHBondContact O-N 2.82Å; P526-Q530 VanDerWaalsContact O-N 3.15Å; V527-Q530 PolarHBondContact O-N 3.48Å; Q530-I533 PolarHBondContact O-N 3.2Å; Q530-L534 HydrophobicContact CG-CD1 4.19Å; Q530-L534 WeakPolarHBondContact O-CG 3.41Å; Q530-L534 PolarHBondContact O-N 3.42Å; Q530-L534 VanDerWaalsContact O-N 3.12Å; Q530-Y579 VanDerWaalsContact OE1-CE1 3.29Å; Q530-Y579 PolarHBondContact OE1-OH 3.29Å; Q530-L714 HydrophobicContact CB-CD2 3.79Å; Q530-L714 HydrophobicContact CG-CD2 3.9Å
531	D	91.4	Very high	88.2	Confident	2 Å²	2	18 Å²	18	1%	0.011	8%	0.084	C	C	.	.	H	α-helix	trans	-65.6	-39.9	174.2	-78.1	-28.9	0	0	0	112	V527 M528 R529 I533 L534 A535 L650 Y665 F717	V527-D531 WeakPolarHBondContact O-CB 3.48Å; V527-D531 PolarHBondContact O-N 3.47Å; M528-D531 PolarHBondContact O-N 3.16Å; R529-D531 VanDerWaalsContact C-N 3.28Å; R529-D531 PolarHBondContact O-N 3.46Å; D531-I533 VanDerWaalsContact C-N 3.33Å; D531-I533 PolarHBondContact O-N 2.94Å; D531-L534 PolarHBondContact O-N 2.93Å; D531-A535 VanDerWaalsContact O-CB 3.28Å; D531-A535 WeakPolarHBondContact O-CB 3.37Å; D531-A535 PolarHBondContact O-N 2.84Å; D531-L650 HydrophobicContact CB-CD1 4.04Å; D531-L650 HydrophobicContact CB-CD2 3.87Å; D531-Y665 WeakPolarHBondContact CA-OH 3.35Å; D531-Y665 HydrophobicContact CB-CE1 4.14Å; D531-Y665 WeakPolarHBondContact CB-OH 3.49Å; D531-Y665 PolarHBondContact O-OH 3.41Å; D531-Y665 VanDerWaalsContact O-OH 3.1Å; D531-Y665 PolarHBondContact OD1-OH 2.9Å; D531-F717 WeakPolarHBondContact OD1-CD1 3.45Å; D531-F717 WeakPolarHBondContact OD1-CE1 3.49Å
532	L	90.8	Very high	88.3	Confident	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-59.9	-42.5	175	-168.5	75.3	0	0	0	111.8	M528 R529 A536 L598 L602 L646 T649 L650 L653	M528-L532 WeakPolarHBondContact O-CB 3.36Å; M528-L532 PolarHBondContact O-N 3.08Å; R529-L532 WeakPolarHBondContact O-CB 3.39Å; R529-L532 PolarHBondContact O-N 2.84Å; L532-A536 VanDerWaalsContact O-CB 3.28Å; L532-A536 WeakPolarHBondContact O-CB 3.36Å; L532-A536 PolarHBondContact O-N 2.71Å; L532-L598 HydrophobicContact CD1-CD2 4.12Å; L532-L598 HydrophobicContact CD2-CD2 4.14Å; L532-L598 HydrophobicContact CG-CD2 4.25Å; L532-L602 HydrophobicContact CB-CD2 4.44Å; L532-L602 HydrophobicContact CD2-CD2 3.94Å; L532-L602 HydrophobicContact CD2-CG 4.27Å; L532-L646 HydrophobicContact CB-CD1 4.44Å; L532-L646 HydrophobicContact CD2-CD1 3.85Å; L532-T649 HydrophobicContact CD1-CG2 4.01Å; L532-L650 HydrophobicContact CD1-CB 4.1Å; L532-L650 HydrophobicContact CD1-CD1 4.44Å; L532-L653 HydrophobicContact CD1-CD1 3.88Å
533	I	89	Confident	88.5	Confident	32 Å²	32	18.5 Å²	18.5	16%	0.164	9%	0.086	C	C	.	.	H	α-helix	trans	-60.4	-48.2	175.2	-62.6	170.5	0	0	0	110.7	R529 Q530 D531 A536 Q537 L602	R529-I533 WeakPolarHBondContact O-CG1 3.28Å; R529-I533 PolarHBondContact O-N 3.32Å; Q530-I533 PolarHBondContact O-N 3.2Å; D531-I533 VanDerWaalsContact C-N 3.33Å; D531-I533 PolarHBondContact O-N 2.94Å; I533-A536 PolarHBondContact O-N 3.29Å; I533-Q537 WeakPolarHBondContact O-CB 3.4Å; I533-Q537 VanDerWaalsContact O-CG 3.25Å; I533-Q537 WeakPolarHBondContact O-CG 3.39Å; I533-Q537 PolarHBondContact O-N 2.87Å; I533-L602 HydrophobicContact CD1-CD2 4.07Å; I533-L602 HydrophobicContact CG1-CD1 4.27Å; I533-L602 HydrophobicContact CG1-CD2 3.42Å; I533-L602 VanDerWaalsContact CG1-CD2 3.42Å; I533-L602 HydrophobicContact CG1-CG 4.49Å
534	L	89.7	Confident	88.5	Confident	13 Å²	13	18.2 Å²	18.2	7%	0.068	10%	0.097	C	C	.	.	H	α-helix	trans	-69.2	-39.6	-177	-68.5	168.4	0	0	0	111.8	Q530 D531 Q537 L538 A718 L721 I725	Q530-L534 HydrophobicContact CG-CD1 4.19Å; Q530-L534 WeakPolarHBondContact O-CG 3.41Å; Q530-L534 PolarHBondContact O-N 3.42Å; Q530-L534 VanDerWaalsContact O-N 3.12Å; D531-L534 PolarHBondContact O-N 2.93Å; L534-Q537 PolarHBondContact O-N 3.3Å; L534-L538 WeakPolarHBondContact O-CB 3.47Å; L534-L538 WeakPolarHBondContact O-CG 3.38Å; L534-L538 PolarHBondContact O-N 3.49Å; L534-A718 HydrophobicContact CD1-CB 4.39Å; L534-L721 HydrophobicContact CB-CD1 4.09Å; L534-L721 HydrophobicContact CD1-CD1 4.22Å; L534-I725 HydrophobicContact CD2-CD1 4.04Å
535	A	91.5	Very high	88.3	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.3	-46.8	173.7	0	0	0	0	0	111.6	D531 Q537 L538 V539 L650 L653 L657 Y665	D531-A535 VanDerWaalsContact O-CB 3.28Å; D531-A535 WeakPolarHBondContact O-CB 3.37Å; D531-A535 PolarHBondContact O-N 2.84Å; A535-Q537 PolarHBondContact O-N 3.27Å; A535-L538 WeakPolarHBondContact O-CB 3.3Å; A535-L538 PolarHBondContact O-N 3.43Å; A535-V539 WeakPolarHBondContact O-CG2 3.38Å; A535-V539 PolarHBondContact O-N 3.23Å; A535-L650 HydrophobicContact CB-CD1 4.21Å; A535-L653 HydrophobicContact CB-CB 4.26Å; A535-L653 HydrophobicContact CB-CD1 4.26Å; A535-L657 HydrophobicContact CB-CD1 4.36Å; A535-Y665 HydrophobicContact CB-CD2 4.33Å; A535-Y665 HydrophobicContact CB-CE2 3.85Å
536	A	90.4	Very high	88.1	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-62.4	-41.6	177.5	0	0	0	0	0	112.6	L532 I533 A540 A587 L595 L598 L653	L532-A536 VanDerWaalsContact O-CB 3.28Å; L532-A536 WeakPolarHBondContact O-CB 3.36Å; L532-A536 PolarHBondContact O-N 2.71Å; I533-A536 PolarHBondContact O-N 3.29Å; A536-A540 WeakPolarHBondContact O-CB 3.48Å; A536-A540 PolarHBondContact O-N 2.75Å; A536-A587 HydrophobicContact CB-CB 4.27Å; A536-L595 HydrophobicContact CB-CD2 4.09Å; A536-L598 HydrophobicContact CB-CD1 3.6Å; A536-L653 HydrophobicContact CB-CD1 4.43Å
537	Q	86.6	Confident	87.9	Confident	10 Å²	10	26.1 Å²	26.1	5%	0.047	13%	0.131	C	C	.	.	H	α-helix	trans	-64.4	-38.7	174.6	-72.5	178.1	5.3	0	0	112.5	I533 L534 A535 R541 A583	I533-Q537 WeakPolarHBondContact O-CB 3.4Å; I533-Q537 VanDerWaalsContact O-CG 3.25Å; I533-Q537 WeakPolarHBondContact O-CG 3.39Å; I533-Q537 PolarHBondContact O-N 2.87Å; L534-Q537 PolarHBondContact O-N 3.3Å; A535-Q537 PolarHBondContact O-N 3.27Å; Q537-R541 WeakPolarHBondContact O-CG 3.09Å; Q537-R541 PolarHBondContact O-N 2.78Å; Q537-R541 VanDerWaalsContact O-N 3.14Å; Q537-A583 HydrophobicContact CB-CB 4.05Å; Q537-A583 HydrophobicContact CG-CB 3.69Å
538	L	88.4	Confident	87.6	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.021	13%	0.134	C	C	.	.	H	α-helix	trans	-64.9	-50.8	174.6	-81.7	165.9	0	0	0	111.5	L534 A535 A540 R541 L542 L657 M663 Y665 L721 L724 I725	L534-L538 WeakPolarHBondContact O-CB 3.47Å; L534-L538 WeakPolarHBondContact O-CG 3.38Å; L534-L538 PolarHBondContact O-N 3.49Å; A535-L538 WeakPolarHBondContact O-CB 3.3Å; A535-L538 PolarHBondContact O-N 3.43Å; L538-A540 PolarHBondContact O-N 3.18Å; L538-R541 PolarHBondContact O-N 3.01Å; L538-L542 WeakPolarHBondContact O-CB 3.35Å; L538-L542 WeakPolarHBondContact O-CD1 3.45Å; L538-L542 VanDerWaalsContact O-CG 3.22Å; L538-L542 WeakPolarHBondContact O-CG 3.43Å; L538-L542 PolarHBondContact O-N 3.28Å; L538-L657 HydrophobicContact CB-CD1 4.39Å; L538-L657 HydrophobicContact CB-CD2 4.27Å; L538-M663 HydrophobicContact CD1-SD 4.04Å; L538-M663 HydrophobicContact CD2-CE 4.04Å; L538-M663 HydrophobicContact CD2-SD 4.11Å; L538-Y665 HydrophobicContact CD1-CD2 4.01Å; L538-Y665 HydrophobicContact CD1-CE2 3.96Å; L538-L721 HydrophobicContact CD1-CD1 4.14Å; L538-L721 HydrophobicContact CD1-CD2 4.24Å; L538-L724 HydrophobicContact CD2-CB 4.33Å; L538-I725 HydrophobicContact CD2-CD1 4.36Å; L538-I725 HydrophobicContact CD2-CG1 3.5Å; L538-I725 HydrophobicContact CG-CD1 4.2Å; L538-I725 HydrophobicContact CG-CG1 3.83Å
539	V	90.4	Very high	87.1	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55	-51.8	176.9	172.4	0	0	0	0	110.2	A535 R541 L542 D543 L595 Y656 L657	A535-V539 WeakPolarHBondContact O-CG2 3.38Å; A535-V539 PolarHBondContact O-N 3.23Å; V539-R541 VanDerWaalsContact C-N 3.33Å; V539-R541 PolarHBondContact O-N 3.46Å; V539-L542 PolarHBondContact O-N 3.31Å; V539-D543 VanDerWaalsContact O-CB 3.26Å; V539-D543 WeakPolarHBondContact O-CB 3.41Å; V539-D543 VanDerWaalsContact O-CG 3.26Å; V539-D543 PolarHBondContact O-N 2.98Å; V539-L595 HydrophobicContact CB-CD1 4.27Å; V539-L595 HydrophobicContact CB-CD2 4.27Å; V539-L595 HydrophobicContact CG1-CD1 3.74Å; V539-L595 HydrophobicContact CG1-CD2 4.14Å; V539-L595 HydrophobicContact CG1-CG 4.15Å; V539-Y656 HydrophobicContact CG1-CD1 4.03Å; V539-Y656 HydrophobicContact CG1-CE1 3.74Å; V539-Y656 HydrophobicContact CG2-CD1 3.94Å; V539-Y656 HydrophobicContact CG2-CE1 4.39Å; V539-L657 HydrophobicContact CG2-CD1 4.25Å; V539-L657 HydrophobicContact CG2-CD2 3.61Å; V539-L657 HydrophobicContact CG2-CG 3.72Å
540	A	87.4	Confident	86.1	Confident	6 Å²	6	29.4 Å²	29.4	5%	0.05	15%	0.154	C	C	.	.	H	α-helix	trans	-58.8	-40.4	-179.1	0	0	0	0	0	113.4	A536 L538 A544 M586 A587 L595	A536-A540 WeakPolarHBondContact O-CB 3.48Å; A536-A540 PolarHBondContact O-N 2.75Å; L538-A540 PolarHBondContact O-N 3.18Å; A540-A544 VanDerWaalsContact O-CB 3.31Å; A540-A544 WeakPolarHBondContact O-CB 3.36Å; A540-A544 PolarHBondContact O-N 3.22Å; A540-M586 HydrophobicContact CB-CB 4.25Å; A540-A587 HydrophobicContact CB-CB 3.89Å; A540-L595 HydrophobicContact CB-CD1 4.37Å
541	R	84.6	Confident	84.6	Confident	59 Å²	59	33.4 Å²	33.4	22%	0.223	18%	0.176	C	C	.	.	H	α-helix	trans	-73	-35.4	177.8	-74.9	-172.8	173.9	-168.3	-1.9	113.1	Q537 L538 V539 K545 D580 M586 I725	Q537-R541 WeakPolarHBondContact O-CG 3.09Å; Q537-R541 PolarHBondContact O-N 2.78Å; Q537-R541 VanDerWaalsContact O-N 3.14Å; L538-R541 PolarHBondContact O-N 3.01Å; V539-R541 VanDerWaalsContact C-N 3.33Å; V539-R541 PolarHBondContact O-N 3.46Å; R541-K545 VanDerWaalsContact O-CB 3.22Å; R541-K545 WeakPolarHBondContact O-CB 3.1Å; R541-K545 PolarHBondContact O-N 2.92Å; R541-D580 IonicContact CZ-OD2 2.69Å; R541-D580 IonicContact NH1-OD2 2.7Å; R541-D580 IonicContact NH2-OD2 2.68Å; R541-D580 PolarHBondContact NH2-OD2 2.99Å; R541-M586 HydrophobicContact CG-CE 4.12Å; R541-I725 PolarHBondContact NH1-O 3.19Å
542	L	87.2	Confident	82.7	Confident	17 Å²	17	37.7 Å²	37.7	9%	0.089	20%	0.198	C	C	.	.	H	α-helix	trans	-74.9	-42.8	178.5	-66.9	166.5	0	0	0	111.7	L538 V539 A544 K545 H546 L657 H661 M663	L538-L542 WeakPolarHBondContact O-CB 3.35Å; L538-L542 WeakPolarHBondContact O-CD1 3.45Å; L538-L542 VanDerWaalsContact O-CG 3.22Å; L538-L542 WeakPolarHBondContact O-CG 3.43Å; L538-L542 PolarHBondContact O-N 3.28Å; V539-L542 PolarHBondContact O-N 3.31Å; L542-A544 VanDerWaalsContact C-N 3.33Å; L542-A544 PolarHBondContact O-N 3.07Å; L542-K545 WeakPolarHBondContact O-CB 3.31Å; L542-K545 PolarHBondContact O-N 2.84Å; L542-H546 PolarHBondContact O-CD2 3.25Å; L542-H546 PolarHBondContact O-N 3.11Å; L542-L657 HydrophobicContact CD1-CD2 3.57Å; L542-H661 HydrophobicContact CD1-CB 4.05Å; L542-M663 HydrophobicContact CD1-CE 3.71Å; L542-M663 HydrophobicContact CD1-SD 4.11Å; L542-M663 HydrophobicContact CD2-CE 4.45Å
543	D	89.6	Confident	80.2	Confident	9 Å²	9	46.8 Å²	46.8	5%	0.048	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-43.2	175.9	-76.8	11.6	0	0	0	111.7	V539 N547 L548 W549 N592 Y656 H661	V539-D543 VanDerWaalsContact O-CB 3.26Å; V539-D543 WeakPolarHBondContact O-CB 3.41Å; V539-D543 VanDerWaalsContact O-CG 3.26Å; V539-D543 PolarHBondContact O-N 2.98Å; D543-N547 PolarHBondContact O-N 2.89Å; D543-L548 PolarHBondContact O-N 3.08Å; D543-L548 VanDerWaalsContact O-N 3.14Å; D543-W549 VanDerWaalsContact OD2-CD1 3.23Å; D543-W549 PolarHBondContact OD2-NE1 3.48Å; D543-N592 PolarHBondContact OD2-ND2 3.28Å; D543-Y656 WeakPolarHBondContact OD1-CE1 3.47Å; D543-Y656 PolarHBondContact OD1-OH 2.82Å; D543-Y656 VanDerWaalsContact OD1-OH 3.05Å; D543-Y656 PolarHBondContact OD2-OH 3.34Å; D543-H661 IonicContact OD1-CD2 3.96Å; D543-H661 IonicContact OD1-CE1 2.69Å; D543-H661 IonicContact OD1-NE2 3.94Å; D543-H661 PolarHBondContact OD1-NE2 3.15Å
544	A	85.9	Confident	77.9	Confident	56 Å²	56	51.5 Å²	51.5	46%	0.463	27%	0.265	S	S	.	.	H	α-helix	trans	-66.6	-42.2	173.8	0	0	0	0	0	112.4	A540 L542 H546 N547	A540-A544 VanDerWaalsContact O-CB 3.31Å; A540-A544 WeakPolarHBondContact O-CB 3.36Å; A540-A544 PolarHBondContact O-N 3.22Å; L542-A544 VanDerWaalsContact C-N 3.33Å; L542-A544 PolarHBondContact O-N 3.07Å; A544-H546 VanDerWaalsContact C-N 3.3Å; A544-H546 PolarHBondContact O-N 2.92Å; A544-N547 PolarHBondContact O-N 3.22Å
545	K	83.1	Confident	75.2	Confident	133 Å²	133	55.8 Å²	55.8	58%	0.578	29%	0.294	S	S	*	.	H	α-helix	trans	-61.7	-35.3	177.3	176.8	-170	172.4	-159.2	0	112.8	R541 L542	R541-K545 VanDerWaalsContact O-CB 3.22Å; R541-K545 WeakPolarHBondContact O-CB 3.1Å; R541-K545 PolarHBondContact O-N 2.92Å; L542-K545 WeakPolarHBondContact O-CB 3.31Å; L542-K545 PolarHBondContact O-N 2.84Å
546	H	81.8	Confident	72.3	Confident	37 Å²	37	63.7 Å²	63.7	17%	0.171	34%	0.336	C	S	.	.	H	α-helix	trans	-95.5	-3.5	-178.3	-74.7	-98.1	0	0	0	113.8	S174 A177 L542 A544 L548	S174-H546 PolarHBondContact OG-O 3.23Å; S174-H546 VanDerWaalsContact OG-O 3.12Å; A177-H546 HydrophobicContact CB-CB 4.36Å; L542-H546 PolarHBondContact O-CD2 3.25Å; L542-H546 PolarHBondContact O-N 3.11Å; A544-H546 VanDerWaalsContact C-N 3.3Å; A544-H546 PolarHBondContact O-N 2.92Å; H546-L548 VanDerWaalsContact C-N 3.3Å; H546-L548 HydrophobicContact CB-CD1 4.45Å; H546-L548 HydrophobicContact CB-CD2 4.12Å; H546-L548 HydrophobicContact CB-CG 3.87Å; H546-L548 PolarHBondContact O-N 2.95Å
547	N	83.2	Confident	69.6	Low	93 Å²	93	68.1 Å²	68.1	50%	0.497	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	44.2	-174.8	-72.2	-57.8	0	0	0	113	D543 A544 S550	D543-N547 PolarHBondContact O-N 2.89Å; A544-N547 PolarHBondContact O-N 3.22Å; N547-S550 PolarHBondContact OD1-OG 3.43Å
548	L	81.6	Confident	67.3	Low	12 Å²	12	73.6 Å²	73.6	6%	0.063	40%	0.401	C	S	.	.			trans	-70.6	-37.4	-174.2	-69.3	-176.4	0	0	0	113.5	A177 K178 L181 D543 H546 V660	A177-L548 HydrophobicContact CB-CD2 3.97Å; K178-L548 HydrophobicContact CB-CD2 4.49Å; K178-L548 HydrophobicContact CG-CD2 3.65Å; L181-L548 HydrophobicContact CD2-CB 4.06Å; L181-L548 HydrophobicContact CD2-CD1 4.39Å; L181-L548 HydrophobicContact CD2-CD2 4.47Å; D543-L548 PolarHBondContact O-N 3.08Å; D543-L548 VanDerWaalsContact O-N 3.14Å; H546-L548 VanDerWaalsContact C-N 3.3Å; H546-L548 HydrophobicContact CB-CD1 4.45Å; H546-L548 HydrophobicContact CB-CD2 4.12Å; H546-L548 HydrophobicContact CB-CG 3.87Å; H546-L548 PolarHBondContact O-N 2.95Å; L548-V660 HydrophobicContact CD1-CG1 3.75Å
549	W	79.9	Confident	64.7	Low	43 Å²	43	79.5 Å²	79.5	16%	0.163	43%	0.433	C	S	.	.	S	Bend	trans	-110.3	2.3	-171.3	-63.2	101.2	0	0	0	114.5	L181 M185 D543 D551 L552 K591 N592 P593 Y656	L181-W549 HydrophobicContact CD1-CZ2 4.06Å; L181-W549 HydrophobicContact CD2-CZ2 4.31Å; M185-W549 HydrophobicContact CE-CH2 3.53Å; M185-W549 HydrophobicContact CE-CZ2 3.66Å; D543-W549 VanDerWaalsContact OD2-CD1 3.23Å; D543-W549 PolarHBondContact OD2-NE1 3.48Å; W549-D551 VanDerWaalsContact C-N 3.3Å; W549-D551 PolarHBondContact O-N 3.47Å; W549-L552 HydrophobicContact CE3-CD1 3.88Å; W549-L552 HydrophobicContact CZ3-CD1 4.15Å; W549-K591 HydrophobicContact CB-CB 4.13Å; W549-K591 VanDerWaalsContact O-CD 3.24Å; W549-K591 WeakPolarHBondContact O-CD 3.41Å; W549-N592 HydrophobicContact CD2-CB 4.43Å; W549-N592 HydrophobicContact CZ2-CB 4.09Å; W549-N592 PolarHBondContact NE1-ND2 3.17Å; W549-P593 HydrophobicContact CH2-CG 4.04Å; W549-Y656 PolarHBondContact NE1-OH 2.95Å
550	S	67.3	Low	62.2	Low	61 Å²	61	85.9 Å²	85.9	43%	0.427	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-43.7	-174.8	-57	0	0	0	0	111.8	N547 L552 K591	N547-S550 PolarHBondContact OD1-OG 3.43Å; S550-L552 PolarHBondContact O-N 2.88Å; S550-L552 VanDerWaalsContact O-N 3.09Å; S550-K591 PolarHBondContact O-NZ 3.22Å
551	D	57.2	Low	60	Low	113 Å²	113	91.7 Å²	91.7	60%	0.604	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-2.9	-165.3	-46.9	-21.6	0	0	0	115.5	K178 W549 E553	K178-D551 IonicContact NZ-OD2 3.97Å; K178-D551 PolarHBondContact NZ-OD2 2.91Å; W549-D551 VanDerWaalsContact C-N 3.3Å; W549-D551 PolarHBondContact O-N 3.47Å; D551-E553 PolarHBondContact O-N 3.17Å
552	L	52.2	Low	57.8	Low	91 Å²	91	95.4 Å²	95.4	48%	0.476	52%	0.521	S	S	.	.			trans	-84.8	87.7	174.9	-66.2	179.9	0	0	0	111.3	W549 S550 K591	W549-L552 HydrophobicContact CE3-CD1 3.88Å; W549-L552 HydrophobicContact CZ3-CD1 4.15Å; S550-L552 PolarHBondContact O-N 2.88Å; S550-L552 VanDerWaalsContact O-N 3.09Å; L552-K591 HydrophobicContact CB-CD 4.37Å; L552-K591 PolarHBondContact O-NZ 3.22Å
553	E	37.3	Very low	55.5	Low	192 Å²	192	99.8 Å²	99.8	90%	0.897	55%	0.548	S	S	*	.			trans	-71.3	121.5	163.8	-67	-175.9	173.9	0	0	109.5	D551	D551-E553 PolarHBondContact O-N 3.17Å
554	I	40.1	Very low	53.1	Low	132 Å²	132	105.2 Å²	105.2	68%	0.677	58%	0.576	S	S	*	*			trans	-116.2	128.7	176.1	-60.1	176.6	0	0	0	106.7
555	P	33	Very low	50.8	Low	103 Å²	103	107.4 Å²	107.4	67%	0.669	59%	0.588	S	S	*	*			trans	-68.1	132.4	-176.7	26.7	-34.3	0	0	0	112.5	S557	P555-S557 PolarHBondContact O-N 2.94Å; P555-S557 PolarHBondContact O-OG 3.39Å
556	D	31.4	Very low	48.6	Very low	166 Å²	166	109.9 Å²	109.9	89%	0.888	60%	0.599	S	S	*	*	S	Bend	trans	-56.8	99.4	-173.9	-71.3	-57.2	0	0	0	113.9
557	S	33.8	Very low	46.3	Very low	94 Å²	94	115 Å²	115	66%	0.657	63%	0.627	S	S	*	*			trans	-156.9	47.3	-177.3	51.2	0	0	0	0	115.7	P555	P555-S557 PolarHBondContact O-N 2.94Å; P555-S557 PolarHBondContact O-OG 3.39Å
558	T	37.9	Very low	44	Very low	124 Å²	124	118.8 Å²	118.8	76%	0.761	64%	0.639	S	S	*	*			trans	-170	106.5	152.4	9.2	0	0	0	0	111.5	D560	T558-D560 PolarHBondContact O-N 2.96Å
559	N	33	Very low	42	Very low	128 Å²	128	125.3 Å²	125.3	68%	0.684	67%	0.672	S	S	*	*			trans	-101.4	56.8	-172.6	-97.2	-48.9	0	0	0	113.8	L561	N559-L561 PolarHBondContact O-N 2.85Å
560	D	38.1	Very low	39.7	Very low	134 Å²	134	130.6 Å²	130.6	72%	0.717	70%	0.703	S	S	*	*			trans	-87.3	25.6	178.2	-69.6	-35.6	0	0	0	114	T558 N562	T558-D560 PolarHBondContact O-N 2.96Å; D560-N562 PolarHBondContact O-N 3.21Å
561	L	41.3	Very low	38	Very low	129 Å²	129	129.5 Å²	129.5	68%	0.675	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	0.5	-174.1	-74.1	166.3	0	0	0	115.5	N559	N559-L561 PolarHBondContact O-N 2.85Å
562	N	39.1	Very low	36.8	Very low	136 Å²	136	130.9 Å²	130.9	73%	0.727	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-4.1	-170.5	-75.4	-52	0	0	0	115.6	D560	D560-N562 PolarHBondContact O-N 3.21Å
563	T	38.1	Very low	36.2	Very low	109 Å²	109	131.1 Å²	131.1	67%	0.669	72%	0.719	S	S	*	*	S	Bend	trans	-92.8	-36.3	-173.1	-46.5	0	0	0	0	113.2	S565 K566	T563-S565 PolarHBondContact O-N 2.95Å; T563-K566 PolarHBondContact O-N 3.29Å
564	I	40	Very low	36.3	Very low	124 Å²	124	130.6 Å²	130.6	64%	0.636	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-69.4	-33.7	-170.8	-60.5	172.6	0	0	0	112	K566 L567	I564-K566 PolarHBondContact O-N 3.29Å; I564-L567 PolarHBondContact O-N 3.29Å
565	S	37.9	Very low	36.2	Very low	102 Å²	102	131.5 Å²	131.5	71%	0.713	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-69	0.3	-177.8	53.7	0	0	0	0	115.1	T563	T563-S565 PolarHBondContact O-N 2.95Å
566	K	36	Very low	36.5	Very low	184 Å²	184	132.9 Å²	132.9	80%	0.8	71%	0.711	S	S	*	*	G	3₁₀ helix	trans	-100.7	-10.9	175.2	-103.1	175.8	178	173.1	0	115.2	T563 I564 K568	T563-K566 PolarHBondContact O-N 3.29Å; I564-K566 PolarHBondContact O-N 3.29Å; K566-K568 PolarHBondContact O-N 3.31Å
567	L	34.7	Very low	36.8	Very low	146 Å²	146	132 Å²	132	76%	0.764	71%	0.707	S	S	*	*			trans	-77.8	66.1	-178.9	-67.7	176.2	0	0	0	112.5	I564 I569	I564-L567 PolarHBondContact O-N 3.29Å; L567-I569 PolarHBondContact O-N 2.92Å; L567-I569 VanDerWaalsContact O-N 3.1Å
568	K	35	Very low	37.3	Very low	171 Å²	171	133.2 Å²	133.2	74%	0.743	70%	0.704	S	S	*	*			trans	-73.1	94.8	164.5	-74.2	-173.3	176.7	-177.8	0	109.4	K566 N570	K566-K568 PolarHBondContact O-N 3.31Å; K568-N570 VanDerWaalsContact C-N 3.35Å; K568-N570 PolarHBondContact O-N 3.38Å
569	I	39.4	Very low	37.6	Very low	149 Å²	149	130.6 Å²	130.6	76%	0.764	68%	0.681	S	S	*	*			trans	-66.3	97.6	167.2	-58.5	178	0	0	0	108	L567 G571	L567-I569 PolarHBondContact O-N 2.92Å; L567-I569 VanDerWaalsContact O-N 3.1Å; I569-G571 PolarHBondContact O-N 3.01Å
570	N	31.1	Very low	38.5	Very low	154 Å²	154	128 Å²	128	82%	0.824	67%	0.667	S	S	*	*			trans	-83.2	84.8	173.6	-65.6	-35	0	0	0	108.5	K568	K568-N570 VanDerWaalsContact C-N 3.35Å; K568-N570 PolarHBondContact O-N 3.38Å
571	G	30.7	Very low	39.3	Very low	38 Å²	38	125.1 Å²	125.1	39%	0.392	66%	0.657	S	S	.	*			trans	-163.7	141.4	178.1	0	0	0	0	0	111.3	I569	I569-G571 PolarHBondContact O-N 3.01Å
572	D	32.9	Very low	40.3	Very low	142 Å²	142	122.4 Å²	122.4	76%	0.759	65%	0.646	S	S	*	*			trans	35.4	99.9	158.2	-53.7	-20.1	0	0	0	118.1	E574	D572-E574 PolarHBondContact O-N 2.93Å
573	S	40.5	Very low	41.2	Very low	97 Å²	97	115.9 Å²	115.9	68%	0.678	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-7.8	-178.2	-60.1	0	0	0	0	115.1
574	E	38.6	Very low	42.4	Very low	180 Å²	180	113.3 Å²	113.3	84%	0.841	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.2	-24.5	-172.5	-58.1	-165	154	0	0	113.5	D572 K576	D572-E574 PolarHBondContact O-N 2.93Å; E574-K576 VanDerWaalsContact C-N 3.26Å; E574-K576 PolarHBondContact O-N 3.42Å
575	F	37.1	Very low	43.7	Very low	151 Å²	151	111 Å²	111	66%	0.662	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-73	-14	178.2	-120.1	-109	0	0	0	113.9	N577 Y579	F575-N577 VanDerWaalsContact C-N 3.3Å; F575-N577 PolarHBondContact O-N 3Å; F575-Y579 AromaticContact CD1-CE2 3.64Å; F575-Y579 HydrophobicContact CD1-CE2 3.64Å; F575-Y579 HydrophobicContact CE1-CE2 4.04Å; F575-Y579 WeakPolarHBondContact CE1-OH 3.46Å; F575-Y579 VanDerWaalsContact O-CD2 3.32Å; F575-Y579 WeakPolarHBondContact O-CD2 3.4Å; F575-Y579 VanDerWaalsContact O-CE2 3.3Å; F575-Y579 WeakPolarHBondContact O-CE2 3.28Å
576	K	39.1	Very low	45	Very low	133 Å²	133	109.9 Å²	109.9	58%	0.578	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-77.5	-3.5	-167.7	-73.8	172.7	178.7	157.5	0	115.8	E574	E574-K576 VanDerWaalsContact C-N 3.26Å; E574-K576 PolarHBondContact O-N 3.42Å
577	N	37.7	Very low	46.3	Very low	148 Å²	148	101.2 Å²	101.2	79%	0.791	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-98.4	2.8	-171.7	-70.6	-37.9	0	0	0	115.6	F575	F575-N577 VanDerWaalsContact C-N 3.3Å; F575-N577 PolarHBondContact O-N 3Å
578	I	44.4	Very low	47.9	Very low	119 Å²	119	98.9 Å²	98.9	61%	0.61	51%	0.514	S	S	*	.	S	Bend	trans	-111.9	-19.8	-176.8	-62	179.2	0	0	0	112.5
579	Y	44.1	Very low	49.6	Very low	69 Å²	69	97.7 Å²	97.7	27%	0.271	51%	0.509	S	S	.	.			trans	-113.6	119.2	-169.4	-47.8	-71.7	0	0	0	112	Q530 F575 S581	Q530-Y579 VanDerWaalsContact OE1-CE1 3.29Å; Q530-Y579 PolarHBondContact OE1-OH 3.29Å; F575-Y579 AromaticContact CD1-CE2 3.64Å; F575-Y579 HydrophobicContact CD1-CE2 3.64Å; F575-Y579 HydrophobicContact CE1-CE2 4.04Å; F575-Y579 WeakPolarHBondContact CE1-OH 3.46Å; F575-Y579 VanDerWaalsContact O-CD2 3.32Å; F575-Y579 WeakPolarHBondContact O-CD2 3.4Å; F575-Y579 VanDerWaalsContact O-CE2 3.3Å; F575-Y579 WeakPolarHBondContact O-CE2 3.28Å; Y579-S581 PolarHBondContact O-N 2.86Å; Y579-S581 VanDerWaalsContact O-N 3.11Å
580	D	52.5	Low	51.3	Low	73 Å²	73	92.2 Å²	92.2	39%	0.39	48%	0.484	S	S	.	.			trans	-73.7	99.1	169.6	-173.7	-13.4	0	0	0	109	R541 T582 A583	R541-D580 IonicContact CZ-OD2 2.69Å; R541-D580 IonicContact NH1-OD2 2.7Å; R541-D580 IonicContact NH2-OD2 2.68Å; R541-D580 PolarHBondContact NH2-OD2 2.99Å; D580-T582 VanDerWaalsContact CG-OG1 3.26Å; D580-T582 PolarHBondContact O-N 3.32Å; D580-T582 WeakPolarHBondContact OD1-CB 3.28Å; D580-T582 WeakPolarHBondContact OD1-CG2 3.39Å; D580-T582 PolarHBondContact OD1-N 3.13Å; D580-T582 PolarHBondContact OD1-OG1 3.08Å; D580-T582 PolarHBondContact OD2-OG1 3.19Å; D580-A583 WeakPolarHBondContact O-CB 3.24Å; D580-A583 PolarHBondContact O-N 3.36Å
581	S	55.1	Low	53.5	Low	73 Å²	73	89.3 Å²	89.3	51%	0.51	46%	0.464	S	S	.	.	H	α-helix	trans	-47.1	-38	-177.7	-170.5	0	0	0	0	112.2	Y579 A583 L584 E585	Y579-S581 PolarHBondContact O-N 2.86Å; Y579-S581 VanDerWaalsContact O-N 3.11Å; S581-A583 PolarHBondContact O-N 2.62Å; S581-L584 PolarHBondContact O-N 2.76Å; S581-E585 WeakPolarHBondContact O-CB 3.37Å; S581-E585 WeakPolarHBondContact O-CG 3.45Å; S581-E585 PolarHBondContact O-N 3.16Å; S581-E585 PolarHBondContact OG-OE1 3.16Å
582	T	61.8	Low	56	Low	72 Å²	72	87.5 Å²	87.5	44%	0.442	45%	0.445	S	S	.	.	H	α-helix	trans	-58.3	-34.3	-179.8	73	0	0	0	0	112.7	D580 M586	D580-T582 VanDerWaalsContact CG-OG1 3.26Å; D580-T582 PolarHBondContact O-N 3.32Å; D580-T582 WeakPolarHBondContact OD1-CB 3.28Å; D580-T582 WeakPolarHBondContact OD1-CG2 3.39Å; D580-T582 PolarHBondContact OD1-N 3.13Å; D580-T582 PolarHBondContact OD1-OG1 3.08Å; D580-T582 PolarHBondContact OD2-OG1 3.19Å; T582-M586 WeakPolarHBondContact O-CB 3.1Å; T582-M586 WeakPolarHBondContact O-CE 3.33Å; T582-M586 VanDerWaalsContact O-CG 3.24Å; T582-M586 WeakPolarHBondContact O-CG 3.25Å; T582-M586 PolarHBondContact O-N 3.18Å
583	A	59.5	Low	58.4	Low	0 Å²	0	83.5 Å²	83.5	0%	0	43%	0.427	C	S	.	.	H	α-helix	trans	-73.5	-42.7	-177.6	0	0	0	0	0	112.3	Q537 D580 S581 M586 A587	Q537-A583 HydrophobicContact CB-CB 4.05Å; Q537-A583 HydrophobicContact CG-CB 3.69Å; D580-A583 WeakPolarHBondContact O-CB 3.24Å; D580-A583 PolarHBondContact O-N 3.36Å; S581-A583 PolarHBondContact O-N 2.62Å; A583-M586 PolarHBondContact O-N 2.88Å; A583-A587 PolarHBondContact O-N 3.38Å; A583-A587 VanDerWaalsContact O-N 3.12Å
584	L	63.4	Low	60.3	Low	54 Å²	54	79.8 Å²	79.8	28%	0.283	40%	0.4	S	S	.	.	H	α-helix	trans	-72.4	-38.1	177	-171.1	62.1	0	0	0	110.9	S581 M586 A587 I588 L602	S581-L584 PolarHBondContact O-N 2.76Å; L584-M586 VanDerWaalsContact C-N 3.34Å; L584-M586 PolarHBondContact O-N 2.93Å; L584-A587 WeakPolarHBondContact O-CB 3.38Å; L584-A587 PolarHBondContact O-N 3.37Å; L584-I588 HydrophobicContact CG-CD1 4.14Å; L584-I588 WeakPolarHBondContact O-CG1 3.45Å; L584-I588 PolarHBondContact O-N 3.06Å; L584-L602 HydrophobicContact CD1-CD1 4.49Å
585	E	66.8	Low	62.4	Low	77 Å²	77	71.6 Å²	71.6	36%	0.36	36%	0.361	S	S	.	.	H	α-helix	trans	-60.2	-40	170.3	-77.4	-180	-114.9	0	0	112.8	S581 A587 I588 K589	S581-E585 WeakPolarHBondContact O-CB 3.37Å; S581-E585 WeakPolarHBondContact O-CG 3.45Å; S581-E585 PolarHBondContact O-N 3.16Å; S581-E585 PolarHBondContact OG-OE1 3.16Å; E585-A587 VanDerWaalsContact C-N 3.34Å; E585-I588 PolarHBondContact O-N 3.05Å; E585-K589 VanDerWaalsContact O-CB 3.28Å; E585-K589 WeakPolarHBondContact O-CB 3.45Å; E585-K589 WeakPolarHBondContact O-CD 3.44Å; E585-K589 WeakPolarHBondContact O-CG 3.44Å; E585-K589 PolarHBondContact O-N 3.21Å; E585-K589 IonicContact OE2-NZ 3.49Å; E585-K589 PolarHBondContact OE2-NZ 3.13Å
586	M	64.5	Low	64.4	Low	77 Å²	77	70.7 Å²	70.7	38%	0.379	36%	0.357	S	S	.	.	H	α-helix	trans	-64.9	-36.2	174	-80.4	-174.7	-63.2	0	0	112.2	A540 R541 T582 A583 L584 S590	A540-M586 HydrophobicContact CB-CB 4.25Å; R541-M586 HydrophobicContact CG-CE 4.12Å; T582-M586 WeakPolarHBondContact O-CB 3.1Å; T582-M586 WeakPolarHBondContact O-CE 3.33Å; T582-M586 VanDerWaalsContact O-CG 3.24Å; T582-M586 WeakPolarHBondContact O-CG 3.25Å; T582-M586 PolarHBondContact O-N 3.18Å; A583-M586 PolarHBondContact O-N 2.88Å; L584-M586 VanDerWaalsContact C-N 3.34Å; L584-M586 PolarHBondContact O-N 2.93Å; M586-S590 WeakPolarHBondContact O-CB 3.34Å; M586-S590 PolarHBondContact O-N 3.04Å; M586-S590 VanDerWaalsContact O-N 3.12Å
587	A	63.4	Low	66.2	Low	2 Å²	2	69.5 Å²	69.5	2%	0.017	36%	0.357	C	S	.	.	H	α-helix	trans	-65.3	-47.7	174.7	0	0	0	0	0	111.8	A536 A540 A583 L584 E585 K589 S590 L595	A536-A587 HydrophobicContact CB-CB 4.27Å; A540-A587 HydrophobicContact CB-CB 3.89Å; A583-A587 PolarHBondContact O-N 3.38Å; A583-A587 VanDerWaalsContact O-N 3.12Å; L584-A587 WeakPolarHBondContact O-CB 3.38Å; L584-A587 PolarHBondContact O-N 3.37Å; E585-A587 VanDerWaalsContact C-N 3.34Å; A587-K589 VanDerWaalsContact C-N 3.3Å; A587-K589 PolarHBondContact O-N 3.43Å; A587-S590 VanDerWaalsContact O-CB 3.29Å; A587-S590 WeakPolarHBondContact O-CB 3.27Å; A587-S590 PolarHBondContact O-N 3.02Å; A587-S590 VanDerWaalsContact O-N 3.13Å; A587-S590 PolarHBondContact O-OG 3.23Å; A587-L595 HydrophobicContact CB-CD1 4.28Å
588	I	68.8	Low	68.1	Low	97 Å²	97	63.1 Å²	63.1	50%	0.497	32%	0.323	S	S	.	.	H	α-helix	trans	-63.9	-33.8	178.1	-65.5	164.2	0	0	0	111.9	L584 E585 S590	L584-I588 HydrophobicContact CG-CD1 4.14Å; L584-I588 WeakPolarHBondContact O-CG1 3.45Å; L584-I588 PolarHBondContact O-N 3.06Å; E585-I588 PolarHBondContact O-N 3.05Å; I588-S590 VanDerWaalsContact C-N 3.33Å
589	K	71.5	Confident	69.5	Low	146 Å²	146	60.7 Å²	60.7	64%	0.635	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	2.3	177.3	-64	164.8	-163.5	169.3	0	113.5	E585 A587	E585-K589 VanDerWaalsContact O-CB 3.28Å; E585-K589 WeakPolarHBondContact O-CB 3.45Å; E585-K589 WeakPolarHBondContact O-CD 3.44Å; E585-K589 WeakPolarHBondContact O-CG 3.44Å; E585-K589 PolarHBondContact O-N 3.21Å; E585-K589 IonicContact OE2-NZ 3.49Å; E585-K589 PolarHBondContact OE2-NZ 3.13Å; A587-K589 VanDerWaalsContact C-N 3.3Å; A587-K589 PolarHBondContact O-N 3.43Å
590	S	74.6	Confident	71.1	Confident	35 Å²	35	61.4 Å²	61.4	25%	0.245	32%	0.322	C	S	.	.			trans	-77.3	152.3	-175.1	75.4	0	0	0	0	112.6	M586 A587 I588 N592 L595	M586-S590 WeakPolarHBondContact O-CB 3.34Å; M586-S590 PolarHBondContact O-N 3.04Å; M586-S590 VanDerWaalsContact O-N 3.12Å; A587-S590 VanDerWaalsContact O-CB 3.29Å; A587-S590 WeakPolarHBondContact O-CB 3.27Å; A587-S590 PolarHBondContact O-N 3.02Å; A587-S590 VanDerWaalsContact O-N 3.13Å; A587-S590 PolarHBondContact O-OG 3.23Å; I588-S590 VanDerWaalsContact C-N 3.33Å; S590-N592 VanDerWaalsContact C-N 3.33Å; S590-L595 WeakPolarHBondContact OG-CB 3.42Å; S590-L595 WeakPolarHBondContact OG-CD1 3.34Å
591	K	76.5	Confident	72.1	Confident	93 Å²	93	62.4 Å²	62.4	40%	0.404	32%	0.321	S	S	.	.			trans	-82.3	-9.7	174.7	-64.6	174.7	-178.2	-177.9	0	113.2	W549 S550 L552	W549-K591 HydrophobicContact CB-CB 4.13Å; W549-K591 VanDerWaalsContact O-CD 3.24Å; W549-K591 WeakPolarHBondContact O-CD 3.41Å; S550-K591 PolarHBondContact O-NZ 3.22Å; L552-K591 HydrophobicContact CB-CD 4.37Å; L552-K591 PolarHBondContact O-NZ 3.22Å
592	N	83.5	Confident	72.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.309	C	S	.	.			trans	-65.3	124.7	-174.7	-175.4	-31	0	0	0	110.2	D543 W549 S590 L594 L595 Y656	D543-N592 PolarHBondContact OD2-ND2 3.28Å; W549-N592 HydrophobicContact CD2-CB 4.43Å; W549-N592 HydrophobicContact CZ2-CB 4.09Å; W549-N592 PolarHBondContact NE1-ND2 3.17Å; S590-N592 VanDerWaalsContact C-N 3.33Å; N592-L594 PolarHBondContact O-N 3.08Å; N592-L594 WeakPolarHBondContact OD1-CB 3.22Å; N592-L594 WeakPolarHBondContact OD1-CG 3.48Å; N592-L594 PolarHBondContact OD1-N 3.38Å; N592-L595 HydrophobicContact CB-CD1 4.25Å; N592-L595 HydrophobicContact CB-CG 4.2Å; N592-L595 PolarHBondContact O-N 3.21Å; N592-L595 VanDerWaalsContact O-N 3.15Å; N592-Y656 PolarHBondContact ND2-OH 2.87Å
593	P	83	Confident	73.2	Confident	57 Å²	57	62.1 Å²	62.1	37%	0.37	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-61.5	-27.3	-177	25.9	-34.8	0	0	0	113.3	M185 W549 L595 K596	M185-P593 HydrophobicContact CE-CG 4.38Å; W549-P593 HydrophobicContact CH2-CG 4.04Å; P593-L595 VanDerWaalsContact C-N 3.28Å; P593-L595 PolarHBondContact O-N 2.88Å; P593-K596 PolarHBondContact O-N 2.84Å
594	L	81.6	Confident	73.4	Confident	20 Å²	20	66.5 Å²	66.5	11%	0.105	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-74.5	-16.1	-179.4	-51.6	-176.1	0	0	0	113.7	F184 L188 N592 L652 L653 Y656	F184-L594 HydrophobicContact CE1-CD1 3.93Å; F184-L594 HydrophobicContact CZ-CD1 3.87Å; L188-L594 HydrophobicContact CD2-CD2 4.47Å; N592-L594 PolarHBondContact O-N 3.08Å; N592-L594 WeakPolarHBondContact OD1-CB 3.22Å; N592-L594 WeakPolarHBondContact OD1-CG 3.48Å; N592-L594 PolarHBondContact OD1-N 3.38Å; L594-L652 HydrophobicContact CD1-CG 4.47Å; L594-L652 HydrophobicContact CD2-CD2 3.75Å; L594-L652 HydrophobicContact CD2-CG 3.99Å; L594-L653 HydrophobicContact CB-CD2 3.72Å; L594-L653 HydrophobicContact CD1-CD2 4.43Å; L594-Y656 HydrophobicContact CD1-CD2 3.46Å; L594-Y656 VanDerWaalsContact CD1-CD2 3.46Å; L594-Y656 HydrophobicContact CD1-CE2 4.26Å; L594-Y656 HydrophobicContact CD1-CG 3.7Å
595	L	82.4	Confident	73.1	Confident	7 Å²	7	72 Å²	72	4%	0.037	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-98.3	-1.7	-179.9	-59.5	-174.8	0	0	0	112.8	A536 V539 A540 A587 S590 N592 P593 L598 L653	A536-L595 HydrophobicContact CB-CD2 4.09Å; V539-L595 HydrophobicContact CB-CD1 4.27Å; V539-L595 HydrophobicContact CB-CD2 4.27Å; V539-L595 HydrophobicContact CG1-CD1 3.74Å; V539-L595 HydrophobicContact CG1-CD2 4.14Å; V539-L595 HydrophobicContact CG1-CG 4.15Å; A540-L595 HydrophobicContact CB-CD1 4.37Å; A587-L595 HydrophobicContact CB-CD1 4.28Å; S590-L595 WeakPolarHBondContact OG-CB 3.42Å; S590-L595 WeakPolarHBondContact OG-CD1 3.34Å; N592-L595 HydrophobicContact CB-CD1 4.25Å; N592-L595 HydrophobicContact CB-CG 4.2Å; N592-L595 PolarHBondContact O-N 3.21Å; N592-L595 VanDerWaalsContact O-N 3.15Å; P593-L595 VanDerWaalsContact C-N 3.28Å; P593-L595 PolarHBondContact O-N 2.88Å; L595-L598 HydrophobicContact CB-CD1 4.04Å; L595-L598 HydrophobicContact CD2-CD1 3.54Å; L595-L598 HydrophobicContact CG-CD1 4.38Å; L595-L653 HydrophobicContact CD2-CD1 4.25Å; L595-L653 HydrophobicContact CD2-CD2 3.75Å
596	K	79.2	Confident	72.3	Confident	133 Å²	133	71.4 Å²	71.4	58%	0.578	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	144.3	173	-62.5	-179.4	-179.5	-179.9	0	110.1	P593 L598	P593-K596 PolarHBondContact O-N 2.84Å; K596-L598 PolarHBondContact O-N 2.83Å
597	N	75.2	Confident	71.7	Confident	108 Å²	108	69 Å²	69	58%	0.578	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	20	176.6	-58.5	29.5	0	0	0	114.9	T599 D600	N597-T599 PolarHBondContact O-N 2.87Å; N597-D600 WeakPolarHBondContact CB-OD2 3.04Å; N597-D600 WeakPolarHBondContact O-CB 3.34Å; N597-D600 PolarHBondContact O-N 2.72Å
598	L	78.3	Confident	71.5	Confident	13 Å²	13	74 Å²	74	7%	0.068	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-63.2	-28.6	175.3	-78.1	179.1	0	0	0	113.1	L532 A536 L595 K596 D600 Y601 L602 T649 L653	L532-L598 HydrophobicContact CD1-CD2 4.12Å; L532-L598 HydrophobicContact CD2-CD2 4.14Å; L532-L598 HydrophobicContact CG-CD2 4.25Å; A536-L598 HydrophobicContact CB-CD1 3.6Å; L595-L598 HydrophobicContact CB-CD1 4.04Å; L595-L598 HydrophobicContact CD2-CD1 3.54Å; L595-L598 HydrophobicContact CG-CD1 4.38Å; K596-L598 PolarHBondContact O-N 2.83Å; L598-D600 PolarHBondContact O-N 2.72Å; L598-Y601 PolarHBondContact O-N 2.86Å; L598-L602 VanDerWaalsContact O-CG 3.32Å; L598-L602 WeakPolarHBondContact O-CG 3.45Å; L598-L602 PolarHBondContact O-N 2.89Å; L598-T649 HydrophobicContact CD2-CG2 3.78Å; L598-L653 HydrophobicContact CD2-CD1 4.26Å
599	T	73.8	Confident	71.2	Confident	69 Å²	69	76.5 Å²	76.5	42%	0.423	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-49.1	-39.8	174.6	34.5	0	0	0	0	112.7	N597 Y601 L602 V603	N597-T599 PolarHBondContact O-N 2.87Å; T599-Y601 PolarHBondContact O-N 3.22Å; T599-L602 PolarHBondContact O-N 3.25Å; T599-V603 PolarHBondContact O-N 3.4Å; T599-V603 VanDerWaalsContact O-N 3.16Å
600	D	77.4	Confident	70.7	Confident	84 Å²	84	76.2 Å²	76.2	45%	0.449	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-71.9	-22.8	-169.9	-44.1	6.4	0	0	0	110.7	N597 L598	N597-D600 WeakPolarHBondContact CB-OD2 3.04Å; N597-D600 WeakPolarHBondContact O-CB 3.34Å; N597-D600 PolarHBondContact O-N 2.72Å; L598-D600 PolarHBondContact O-N 2.72Å
601	Y	74.1	Confident	70	Confident	94 Å²	94	81.3 Å²	81.3	37%	0.369	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-95.5	-6.5	173.6	-59.4	-81.1	0	0	0	113.6	L598 T599 N645 T649	L598-Y601 PolarHBondContact O-N 2.86Å; T599-Y601 PolarHBondContact O-N 3.22Å; Y601-N645 HydrophobicContact CE1-CB 4.32Å; Y601-T649 HydrophobicContact CD2-CG2 4.09Å; Y601-T649 HydrophobicContact CE2-CG2 4.18Å
602	L	72.4	Confident	69.6	Low	48 Å²	48	79.3 Å²	79.3	25%	0.251	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-11.7	-178.5	-67.4	177	0	0	0	113.3	L532 I533 L584 L598 T599	L532-L602 HydrophobicContact CB-CD2 4.44Å; L532-L602 HydrophobicContact CD2-CD2 3.94Å; L532-L602 HydrophobicContact CD2-CG 4.27Å; I533-L602 HydrophobicContact CD1-CD2 4.07Å; I533-L602 HydrophobicContact CG1-CD1 4.27Å; I533-L602 HydrophobicContact CG1-CD2 3.42Å; I533-L602 VanDerWaalsContact CG1-CD2 3.42Å; I533-L602 HydrophobicContact CG1-CG 4.49Å; L584-L602 HydrophobicContact CD1-CD1 4.49Å; L598-L602 VanDerWaalsContact O-CG 3.32Å; L598-L602 WeakPolarHBondContact O-CG 3.45Å; L598-L602 PolarHBondContact O-N 2.89Å; T599-L602 PolarHBondContact O-N 3.25Å
603	V	67.4	Low	69.1	Low	91 Å²	91	83.8 Å²	83.8	55%	0.552	46%	0.46	S	S	*	.	S	Bend	trans	-93.1	131.7	170.8	177.9	0	0	0	0	109.4	T599 E605	T599-V603 PolarHBondContact O-N 3.4Å; T599-V603 VanDerWaalsContact O-N 3.16Å; V603-E605 VanDerWaalsContact C-N 3.33Å; V603-E605 HydrophobicContact CB-CG 4.35Å; V603-E605 HydrophobicContact CG1-CG 4.01Å; V603-E605 PolarHBondContact O-N 2.95Å
604	D	62.7	Low	68.5	Low	91 Å²	91	84.5 Å²	84.5	49%	0.487	46%	0.46	S	S	.	.			trans	-78.3	80.4	172.5	-86	56.1	0	0	0	110.1	R529 G606	R529-D604 IonicContact CZ-OD1 3.79Å; R529-D604 IonicContact CZ-OD2 2.78Å; R529-D604 IonicContact NE-OD1 2.74Å; R529-D604 PolarHBondContact NE-OD1 2.84Å; R529-D604 IonicContact NH1-OD1 2.99Å; R529-D604 PolarHBondContact NH1-OD1 3.31Å; R529-D604 IonicContact NH1-OD2 3.9Å; R529-D604 PolarHBondContact NH1-OD2 3.42Å; R529-D604 IonicContact NH2-OD1 3.32Å; R529-D604 PolarHBondContact NH2-OD1 3.34Å; R529-D604 IonicContact NH2-OD2 3.54Å; R529-D604 PolarHBondContact NH2-OD2 3.2Å; D604-G606 PolarHBondContact O-N 3.04Å
605	E	57.1	Low	67.8	Low	171 Å²	171	86.3 Å²	86.3	80%	0.799	48%	0.478	S	S	*	.			trans	-69.8	4.6	-175.6	-65.3	-159.4	134.7	0	0	115.8	V603	V603-E605 VanDerWaalsContact C-N 3.33Å; V603-E605 HydrophobicContact CB-CG 4.35Å; V603-E605 HydrophobicContact CG1-CG 4.01Å; V603-E605 PolarHBondContact O-N 2.95Å
606	G	50.8	Low	66.9	Low	64 Å²	64	92.4 Å²	92.4	66%	0.66	51%	0.506	S	S	*	.	S	Bend	trans	-161.7	139	179.3	0	0	0	0	0	113.9	D604	D604-G606 PolarHBondContact O-N 3.04Å
607	G	52.8	Low	66.1	Low	27 Å²	27	90.3 Å²	90.3	28%	0.278	51%	0.505	S	S	.	.	S	Bend	trans	133.6	-47.9	172.1	0	0	0	0	0	114.1	E609 E610 E611	G607-E609 VanDerWaalsContact C-N 3.34Å; G607-E609 PolarHBondContact O-N 2.74Å; G607-E609 VanDerWaalsContact O-N 3.11Å; G607-E610 PolarHBondContact O-N 3.23Å; G607-E610 VanDerWaalsContact O-N 3.14Å; G607-E611 WeakPolarHBondContact O-CB 3.47Å; G607-E611 PolarHBondContact O-N 2.87Å
608	S	58.7	Low	65.2	Low	105 Å²	105	91.1 Å²	91.1	73%	0.734	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-27.3	-161.4	56.6	0	0	0	0	117	A612	S608-A612 VanDerWaalsContact O-CB 3.25Å; S608-A612 WeakPolarHBondContact O-CB 3.38Å
609	E	61.2	Low	64.1	Low	151 Å²	151	94.1 Å²	94.1	71%	0.706	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-43.1	173.7	-171.8	172.1	-176.7	0	0	111.9	G607 A612 L613	G607-E609 VanDerWaalsContact C-N 3.34Å; G607-E609 PolarHBondContact O-N 2.74Å; G607-E609 VanDerWaalsContact O-N 3.11Å; E609-A612 PolarHBondContact O-N 2.75Å; E609-L613 HydrophobicContact CG-CD1 4.28Å; E609-L613 VanDerWaalsContact O-CG 3.31Å; E609-L613 WeakPolarHBondContact O-CG 3.42Å; E609-L613 PolarHBondContact O-N 3.13Å
610	E	61.3	Low	63.1	Low	140 Å²	140	99.1 Å²	99.1	65%	0.654	55%	0.551	S	S	*	*	H	α-helix	trans	-70.1	-43.5	-179.4	-171.2	174.2	179.7	0	0	111.9	G607 A612 L613 I614	G607-E610 PolarHBondContact O-N 3.23Å; G607-E610 VanDerWaalsContact O-N 3.14Å; E610-A612 VanDerWaalsContact C-N 3.31Å; E610-A612 PolarHBondContact O-N 2.8Å; E610-L613 PolarHBondContact O-N 2.98Å; E610-I614 HydrophobicContact CG-CD1 3.9Å; E610-I614 WeakPolarHBondContact O-CB 3.14Å; E610-I614 VanDerWaalsContact O-CG1 3.22Å; E610-I614 WeakPolarHBondContact O-CG1 3.48Å; E610-I614 PolarHBondContact O-N 3.18Å
611	E	61.3	Low	62	Low	142 Å²	142	98.8 Å²	98.8	66%	0.664	56%	0.56	S	S	*	*	H	α-helix	trans	-65.3	-32.7	174.2	-68.6	-166.2	145.5	0	0	112.3	G607 A615	G607-E611 WeakPolarHBondContact O-CB 3.47Å; G607-E611 PolarHBondContact O-N 2.87Å; E611-A615 WeakPolarHBondContact O-CB 3.46Å; E611-A615 PolarHBondContact O-N 3.4Å
612	A	66.6	Low	60.7	Low	50 Å²	50	103 Å²	103	41%	0.413	58%	0.583	S	S	.	*	H	α-helix	trans	-67.3	-44.9	173.9	0	0	0	0	0	111.6	S608 E609 E610 I614 A615 E616	S608-A612 VanDerWaalsContact O-CB 3.25Å; S608-A612 WeakPolarHBondContact O-CB 3.38Å; E609-A612 PolarHBondContact O-N 2.75Å; E610-A612 VanDerWaalsContact C-N 3.31Å; E610-A612 PolarHBondContact O-N 2.8Å; A612-I614 VanDerWaalsContact C-N 3.34Å; A612-I614 PolarHBondContact O-N 3.49Å; A612-A615 PolarHBondContact O-N 3.33Å; A612-E616 PolarHBondContact O-N 3Å
613	L	72.9	Confident	59.1	Low	94 Å²	94	103.4 Å²	103.4	49%	0.492	60%	0.599	S	S	.	*	H	α-helix	trans	-65.1	-36.3	175.2	-69.8	167.7	0	0	0	112.2	E609 E610 T617	E609-L613 HydrophobicContact CG-CD1 4.28Å; E609-L613 VanDerWaalsContact O-CG 3.31Å; E609-L613 WeakPolarHBondContact O-CG 3.42Å; E609-L613 PolarHBondContact O-N 3.13Å; E610-L613 PolarHBondContact O-N 2.98Å; L613-T617 WeakPolarHBondContact O-CB 3.29Å; L613-T617 WeakPolarHBondContact O-CG2 3.44Å; L613-T617 PolarHBondContact O-N 2.83Å; L613-T617 PolarHBondContact O-OG1 3.08Å
614	I	71	Confident	57.6	Low	73 Å²	73	104.8 Å²	104.8	37%	0.374	61%	0.611	S	S	.	*	H	α-helix	trans	-68.5	-37.8	173.1	-69.7	168.7	0	0	0	110.8	E610 A612 T617 Q618	E610-I614 HydrophobicContact CG-CD1 3.9Å; E610-I614 WeakPolarHBondContact O-CB 3.14Å; E610-I614 VanDerWaalsContact O-CG1 3.22Å; E610-I614 WeakPolarHBondContact O-CG1 3.48Å; E610-I614 PolarHBondContact O-N 3.18Å; A612-I614 VanDerWaalsContact C-N 3.34Å; A612-I614 PolarHBondContact O-N 3.49Å; I614-T617 WeakPolarHBondContact CA-OG1 3.42Å; I614-T617 PolarHBondContact O-OG1 2.92Å; I614-Q618 HydrophobicContact CG2-CG 4.46Å; I614-Q618 WeakPolarHBondContact O-CB 3.13Å; I614-Q618 VanDerWaalsContact O-CG 3.28Å; I614-Q618 WeakPolarHBondContact O-CG 3.28Å; I614-Q618 PolarHBondContact O-N 3.3Å
615	A	66	Low	56.4	Low	58 Å²	58	108.2 Å²	108.2	48%	0.479	63%	0.629	S	S	.	*	H	α-helix	trans	-68.3	-41.9	176	0	0	0	0	0	112.4	E611 A612 A619	E611-A615 WeakPolarHBondContact O-CB 3.46Å; E611-A615 PolarHBondContact O-N 3.4Å; A612-A615 PolarHBondContact O-N 3.33Å; A615-A619 VanDerWaalsContact O-CB 3.23Å; A615-A619 WeakPolarHBondContact O-CB 3.36Å; A615-A619 PolarHBondContact O-N 2.7Å
616	E	64.3	Low	55.4	Low	134 Å²	134	107.7 Å²	107.7	63%	0.626	63%	0.632	S	S	*	*	H	α-helix	trans	-62.6	-48.5	173.1	-76.1	-170.2	134.6	0	0	111.2	A612 Q618 A619 E620	A612-E616 PolarHBondContact O-N 3Å; E616-Q618 VanDerWaalsContact C-N 3.32Å; E616-Q618 PolarHBondContact O-N 2.87Å; E616-A619 PolarHBondContact O-N 2.86Å; E616-A619 VanDerWaalsContact O-N 3.15Å; E616-E620 PolarHBondContact O-N 3.5Å
617	T	63.6	Low	54.9	Low	90 Å²	90	111.8 Å²	111.8	55%	0.552	64%	0.639	S	S	*	*	H	α-helix	trans	-67.7	-27.4	-179.8	51.9	0	0	0	0	114	L613 I614 A621	L613-T617 WeakPolarHBondContact O-CB 3.29Å; L613-T617 WeakPolarHBondContact O-CG2 3.44Å; L613-T617 PolarHBondContact O-N 2.83Å; L613-T617 PolarHBondContact O-OG1 3.08Å; I614-T617 WeakPolarHBondContact CA-OG1 3.42Å; I614-T617 PolarHBondContact O-OG1 2.92Å; T617-A621 WeakPolarHBondContact O-CB 3.44Å; T617-A621 PolarHBondContact O-N 3.28Å
618	Q	56.4	Low	54.3	Low	124 Å²	124	118.5 Å²	118.5	58%	0.579	67%	0.668	S	S	*	*	H	α-helix	trans	-77.5	-36	169.9	-72.1	-179.2	28.2	0	0	112.5	I614 E616 E620 A621 E622	I614-Q618 HydrophobicContact CG2-CG 4.46Å; I614-Q618 WeakPolarHBondContact O-CB 3.13Å; I614-Q618 VanDerWaalsContact O-CG 3.28Å; I614-Q618 WeakPolarHBondContact O-CG 3.28Å; I614-Q618 PolarHBondContact O-N 3.3Å; E616-Q618 VanDerWaalsContact C-N 3.32Å; E616-Q618 PolarHBondContact O-N 2.87Å; Q618-E620 VanDerWaalsContact C-N 3.32Å; Q618-E620 PolarHBondContact O-N 2.99Å; Q618-A621 PolarHBondContact O-N 2.68Å; Q618-A621 VanDerWaalsContact O-N 3.08Å; Q618-E622 PolarHBondContact O-N 2.87Å
619	A	54.5	Low	53.3	Low	77 Å²	77	121.5 Å²	121.5	64%	0.636	68%	0.676	S	S	*	*	H	α-helix	trans	-65.7	-33	176.2	0	0	0	0	0	112.8	A615 E616 A621	A615-A619 VanDerWaalsContact O-CB 3.23Å; A615-A619 WeakPolarHBondContact O-CB 3.36Å; A615-A619 PolarHBondContact O-N 2.7Å; E616-A619 PolarHBondContact O-N 2.86Å; E616-A619 VanDerWaalsContact O-N 3.15Å; A619-A621 VanDerWaalsContact C-N 3.34Å
620	E	52.7	Low	52.3	Low	174 Å²	174	121.8 Å²	121.8	81%	0.813	68%	0.682	S	S	*	*	H	α-helix	trans	-75.5	-21	171	-66.2	-160.7	148.8	0	0	113.3	E616 Q618	E616-E620 PolarHBondContact O-N 3.5Å; Q618-E620 VanDerWaalsContact C-N 3.32Å; Q618-E620 PolarHBondContact O-N 2.99Å
621	A	54	Low	51.3	Low	77 Å²	77	121.6 Å²	121.6	64%	0.636	69%	0.691	S	S	*	*	H	α-helix	trans	-84.4	-29.7	-178.7	0	0	0	0	0	114.3	T617 Q618 A619 G623	T617-A621 WeakPolarHBondContact O-CB 3.44Å; T617-A621 PolarHBondContact O-N 3.28Å; Q618-A621 PolarHBondContact O-N 2.68Å; Q618-A621 VanDerWaalsContact O-N 3.08Å; A619-A621 VanDerWaalsContact C-N 3.34Å; A621-G623 PolarHBondContact O-N 3.07Å
622	E	47	Very low	50.1	Low	182 Å²	182	122.1 Å²	122.1	85%	0.85	70%	0.703	S	S	*	*			trans	-77.5	35.8	175.9	-64.9	-156.1	148.3	0	0	113.4	Q618 C624	Q618-E622 PolarHBondContact O-N 2.87Å; E622-C624 PolarHBondContact O-N 3.28Å
623	G	39.8	Very low	48.8	Very low	57 Å²	57	122.5 Å²	122.5	59%	0.588	71%	0.712	S	S	*	*			trans	-80.5	102.7	172.7	0	0	0	0	0	112.6	A621	A621-G623 PolarHBondContact O-N 3.07Å
624	C	34.7	Very low	47.4	Very low	119 Å²	119	129.9 Å²	129.9	80%	0.804	73%	0.733	S	S	*	*			trans	80.9	103.8	174.1	88.7	0	0	0	0	118.1	E622	E622-C624 PolarHBondContact O-N 3.28Å
625	D	37.2	Very low	46.6	Very low	163 Å²	163	130.8 Å²	130.8	87%	0.872	74%	0.742	S	S	*	*				-157.4	89.6	125.2	-131.2	-13.7	0	0	0	112.3	N627	D625-N627 PolarHBondContact O-N 2.61Å; D625-N627 VanDerWaalsContact O-N 3.14Å
626	N	36.9	Very low	46.2	Very low	161 Å²	161	135 Å²	135	86%	0.861	75%	0.751	S	S	*	*			trans	-84.9	76.7	-177.9	-90.9	-47.6	0	0	0	112
627	N	40.2	Very low	46	Very low	150 Å²	150	132.7 Å²	132.7	80%	0.802	75%	0.747	S	S	*	*			trans	-165.3	85.7	163.2	-99.4	-40.8	0	0	0	114.3	D625	D625-N627 PolarHBondContact O-N 2.61Å; D625-N627 VanDerWaalsContact O-N 3.14Å
628	N	39.9	Very low	46.1	Very low	167 Å²	167	129.8 Å²	129.8	89%	0.893	73%	0.729	S	S	*	*			trans	-170.9	87.2	146.9	-101.7	-42.9	0	0	0	112.9	N630	N628-N630 VanDerWaalsContact C-N 3.33Å; N628-N630 PolarHBondContact O-N 3.09Å
629	N	38.3	Very low	46.7	Very low	169 Å²	169	128.9 Å²	128.9	90%	0.904	73%	0.732	S	S	*	*			trans	-77.8	75.4	173.3	-86.2	-32.5	0	0	0	112
630	N	39.5	Very low	47.7	Very low	156 Å²	156	127.4 Å²	127.4	83%	0.834	71%	0.713	S	S	*	*			trans	-174.1	101.3	154.4	-101.2	-36.5	0	0	0	112.8	N628	N628-N630 VanDerWaalsContact C-N 3.33Å; N628-N630 PolarHBondContact O-N 3.09Å
631	V	41.1	Very low	48.8	Very low	137 Å²	137	124 Å²	124	83%	0.83	70%	0.697	S	S	*	*				-176.3	124	126	150.6	0	0	0	0	107.3
632	V	36.4	Very low	49.8	Very low	152 Å²	152	122.2 Å²	122.2	92%	0.921	68%	0.68	S	S	*	*			trans	-85.2	130.4	174.2	174.1	0	0	0	0	109.4
633	G	38.5	Very low	51.5	Low	58 Å²	58	115.4 Å²	115.4	60%	0.598	65%	0.649	S	S	*	*			trans	99.2	55.9	165	0	0	0	0	0	116.7	V635	G633-V635 PolarHBondContact O-N 3.2Å
634	R	44.3	Very low	53.6	Low	249 Å²	249	116.6 Å²	116.6	94%	0.94	65%	0.647	S	S	*	*			trans	-68	96.4	164.1	-161.3	-175.3	-149.8	179.8	7.5	108.9	H636	R634-H636 PolarHBondContact O-N 3.28Å
635	V	53	Low	56.1	Low	93 Å²	93	115.3 Å²	115.3	56%	0.564	63%	0.632	S	S	*	*			trans	-67.9	127.3	178	-179.4	0	0	0	0	109.1	G633 T637 T706	G633-V635 PolarHBondContact O-N 3.2Å; V635-T637 PolarHBondContact O-N 3.4Å; V635-T706 HydrophobicContact CG1-CG2 3.47Å; V635-T706 VanDerWaalsContact CG1-CG2 3.47Å
636	H	57.8	Low	58.4	Low	146 Å²	146	107.9 Å²	107.9	68%	0.676	59%	0.592	S	S	*	*			trans	-73.5	108.7	175.3	-169.6	88.3	0	0	0	109.5	R634	R634-H636 PolarHBondContact O-N 3.28Å
637	T	61.4	Low	60.9	Low	86 Å²	86	100.5 Å²	100.5	53%	0.528	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.6	118.2	-179.6	52.1	0	0	0	0	110.3	V635 F705	V635-T637 PolarHBondContact O-N 3.4Å; T637-F705 CarbonylContact C-O 3.51Å; T637-F705 WeakPolarHBondContact CA-O 3.19Å
638	V	65.5	Low	63.2	Low	29 Å²	29	101 Å²	101	18%	0.176	54%	0.544	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.8	177.2	-173.9	0	0	0	0	109.3	A704 F705 I710	V638-A704 WeakPolarHBondContact O-CA 3.43Å; V638-F705 PolarHBondContact N-O 3.45Å; V638-F705 PolarHBondContact O-N 3.29Å; V638-I710 HydrophobicContact CB-CD1 3.98Å; V638-I710 HydrophobicContact CG1-CD1 4.37Å; V638-I710 HydrophobicContact CG2-CD1 4.04Å
639	T	69.2	Low	65.5	Low	105 Å²	105	94.2 Å²	94.2	64%	0.644	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	138.5	173.1	44.8	0	0	0	0	110.9	E641	T639-E641 PolarHBondContact O-N 3.07Å
640	L	73.9	Confident	68	Low	46 Å²	46	86.2 Å²	86.2	24%	0.241	47%	0.466	C	S	.	.			trans	-63.9	101.8	-179.7	-166.2	171.6	0	0	0	112.2	R523 L703 F705	R523-L640 HydrophobicContact CB-CD1 4.25Å; R523-L640 HydrophobicContact CB-CD2 4.1Å; L640-L703 HydrophobicContact CD1-CB 4.26Å; L640-L703 HydrophobicContact CD1-CD1 4.35Å; L640-L703 PolarHBondContact N-O 3.01Å; L640-L703 VanDerWaalsContact N-O 3.12Å; L640-F705 HydrophobicContact CB-CE2 4.29Å; L640-F705 HydrophobicContact CD1-CE2 4.11Å; L640-F705 HydrophobicContact CG-CE2 4.45Å
641	E	76.1	Confident	70.6	Confident	101 Å²	101	79 Å²	79	47%	0.472	43%	0.427	S	S	.	.			trans	-88	141.7	163.2	-164.5	-170.2	170.1	0	0	110.9	H524 K525 T639	H524-E641 WeakPolarHBondContact CA-O 3.37Å; K525-E641 HydrophobicContact CB-CB 4.37Å; K525-E641 HydrophobicContact CD-CG 4.09Å; K525-E641 WeakPolarHBondContact CD-OE1 3.35Å; K525-E641 VanDerWaalsContact CD-OE2 3.24Å; K525-E641 WeakPolarHBondContact CD-OE2 3.37Å; K525-E641 PolarHBondContact N-O 2.96Å; K525-E641 IonicContact NZ-OE1 2.75Å; K525-E641 PolarHBondContact NZ-OE1 3.34Å; K525-E641 IonicContact NZ-OE2 2.74Å; T639-E641 PolarHBondContact O-N 3.07Å
642	S	76.2	Confident	72.9	Confident	40 Å²	40	74.7 Å²	74.7	28%	0.28	40%	0.399	S	S	.	.			trans	-145	92.6	-168.5	164.6	0	0	0	0	112.1
643	D	82.5	Confident	75.6	Confident	39 Å²	39	67.5 Å²	67.5	21%	0.209	36%	0.356	C	S	.	.			trans	-68.6	120.4	176.4	-70.8	-17.5	0	0	0	112.8	K525 M528 L646 A647	K525-D643 WeakPolarHBondContact CD-OD2 3.49Å; K525-D643 WeakPolarHBondContact CE-OD2 3.34Å; K525-D643 WeakPolarHBondContact CG-OD2 3.44Å; K525-D643 VanDerWaalsContact NZ-CG 3.34Å; K525-D643 IonicContact NZ-OD1 3.22Å; K525-D643 PolarHBondContact NZ-OD1 2.93Å; K525-D643 IonicContact NZ-OD2 3.45Å; K525-D643 PolarHBondContact NZ-OD2 2.88Å; K525-D643 VanDerWaalsContact NZ-OD2 3.11Å; M528-D643 HydrophobicContact CE-CB 4.41Å; D643-L646 HydrophobicContact CB-CB 3.81Å; D643-L646 HydrophobicContact CB-CD2 4.42Å; D643-A647 WeakPolarHBondContact O-CB 3.48Å; D643-A647 PolarHBondContact O-N 2.87Å; D643-A647 VanDerWaalsContact O-N 3.11Å
644	P	84	Confident	78.2	Confident	83 Å²	83	64.9 Å²	64.9	54%	0.539	33%	0.328	S	S	.	.	H	α-helix	trans	-73.6	-30.7	-177.7	28.7	-34.8	0	0	0	113.6	A647 R648	P644-A647 PolarHBondContact O-N 2.85Å; P644-R648 WeakPolarHBondContact O-CG 3.46Å; P644-R648 PolarHBondContact O-N 3.49Å; P644-R648 VanDerWaalsContact O-N 3.12Å
645	N	85.7	Confident	80.5	Confident	91 Å²	91	53.2 Å²	53.2	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-72	-48	179.8	-68	-16.3	0	0	0	111.1	Y601 A647 R648 T649	Y601-N645 HydrophobicContact CE1-CB 4.32Å; N645-A647 VanDerWaalsContact C-N 3.25Å; N645-A647 PolarHBondContact O-N 2.79Å; N645-R648 PolarHBondContact O-N 2.81Å; N645-R648 VanDerWaalsContact O-N 3.16Å; N645-R648 PolarHBondContact OD1-NH1 3.28Å; N645-T649 PolarHBondContact O-N 3.33Å; N645-T649 VanDerWaalsContact O-N 3.17Å; N645-T649 PolarHBondContact O-OG1 3Å
646	L	86.8	Confident	82.5	Confident	7 Å²	7	48.8 Å²	48.8	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-56.6	-40.7	171.8	179.2	64	0	0	0	111.6	M528 R529 L532 D643 R648 T649 L650	M528-L646 HydrophobicContact CB-CD2 3.69Å; M528-L646 HydrophobicContact CB-CG 4.05Å; M528-L646 HydrophobicContact CE-CD2 4.31Å; R529-L646 HydrophobicContact CG-CD1 4.3Å; R529-L646 HydrophobicContact CG-CD2 3.5Å; L532-L646 HydrophobicContact CB-CD1 4.44Å; L532-L646 HydrophobicContact CD2-CD1 3.85Å; D643-L646 HydrophobicContact CB-CB 3.81Å; D643-L646 HydrophobicContact CB-CD2 4.42Å; L646-R648 PolarHBondContact O-N 2.99Å; L646-T649 PolarHBondContact O-N 2.89Å; L646-L650 WeakPolarHBondContact O-CB 3.41Å; L646-L650 PolarHBondContact O-N 3.1Å
647	A	88.5	Confident	84.1	Confident	6 Å²	6	41.9 Å²	41.9	5%	0.05	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-42	176.5	0	0	0	0	0	112.9	M528 D643 P644 N645 D651 R687	M528-A647 HydrophobicContact SD-CB 4.13Å; D643-A647 WeakPolarHBondContact O-CB 3.48Å; D643-A647 PolarHBondContact O-N 2.87Å; D643-A647 VanDerWaalsContact O-N 3.11Å; P644-A647 PolarHBondContact O-N 2.85Å; N645-A647 VanDerWaalsContact C-N 3.25Å; N645-A647 PolarHBondContact O-N 2.79Å; A647-D651 VanDerWaalsContact O-CB 3.27Å; A647-D651 WeakPolarHBondContact O-CB 3.4Å; A647-D651 PolarHBondContact O-N 3.11Å; A647-R687 PolarHBondContact O-NH2 2.96Å
648	R	88.6	Confident	85.7	Confident	162 Å²	162	38 Å²	38	61%	0.611	20%	0.201	S	C	*	.	H	α-helix	trans	-62.6	-48.6	175.9	-72.1	168.1	177.5	151.8	-6.4	112.4	P644 N645 L646 L650 D651 L652	P644-R648 WeakPolarHBondContact O-CG 3.46Å; P644-R648 PolarHBondContact O-N 3.49Å; P644-R648 VanDerWaalsContact O-N 3.12Å; N645-R648 PolarHBondContact O-N 2.81Å; N645-R648 VanDerWaalsContact O-N 3.16Å; N645-R648 PolarHBondContact OD1-NH1 3.28Å; L646-R648 PolarHBondContact O-N 2.99Å; R648-L650 VanDerWaalsContact C-N 3.31Å; R648-L650 PolarHBondContact O-N 3.31Å; R648-D651 PolarHBondContact O-N 2.61Å; R648-L652 PolarHBondContact O-N 2.93Å
649	T	88.3	Confident	87	Confident	24 Å²	24	37.1 Å²	37.1	15%	0.147	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-42.1	-179.8	-48	0	0	0	0	111.1	L532 L598 Y601 N645 L646 L653	L532-T649 HydrophobicContact CD1-CG2 4.01Å; L598-T649 HydrophobicContact CD2-CG2 3.78Å; Y601-T649 HydrophobicContact CD2-CG2 4.09Å; Y601-T649 HydrophobicContact CE2-CG2 4.18Å; N645-T649 PolarHBondContact O-N 3.33Å; N645-T649 VanDerWaalsContact O-N 3.17Å; N645-T649 PolarHBondContact O-OG1 3Å; L646-T649 PolarHBondContact O-N 2.89Å; T649-L653 PolarHBondContact O-N 3.2Å
650	L	91.5	Very high	88.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.6	-45.1	175.2	177.7	58	0	0	0	112.3	M528 D531 L532 A535 L646 R648 L652 L653 I654	M528-L650 HydrophobicContact CB-CD2 4.08Å; M528-L650 HydrophobicContact CG-CD2 4.3Å; D531-L650 HydrophobicContact CB-CD1 4.04Å; D531-L650 HydrophobicContact CB-CD2 3.87Å; L532-L650 HydrophobicContact CD1-CB 4.1Å; L532-L650 HydrophobicContact CD1-CD1 4.44Å; A535-L650 HydrophobicContact CB-CD1 4.21Å; L646-L650 WeakPolarHBondContact O-CB 3.41Å; L646-L650 PolarHBondContact O-N 3.1Å; R648-L650 VanDerWaalsContact C-N 3.31Å; R648-L650 PolarHBondContact O-N 3.31Å; L650-L652 VanDerWaalsContact C-N 3.33Å; L650-L652 PolarHBondContact O-N 3.3Å; L650-L653 PolarHBondContact O-N 2.89Å; L650-I654 HydrophobicContact CD1-CD1 3.79Å; L650-I654 HydrophobicContact CD1-CG1 4.18Å; L650-I654 HydrophobicContact CG-CD1 3.75Å; L650-I654 WeakPolarHBondContact O-CG1 3.43Å; L650-I654 PolarHBondContact O-N 3.14Å
651	D	92.8	Very high	88.9	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-40	179.8	-77.7	-17	0	0	0	111.9	S197 V198 A647 R648 L653 I654 L655 R687	S197-D651 VanDerWaalsContact CA-OD2 3.28Å; S197-D651 WeakPolarHBondContact CA-OD2 3.35Å; V198-D651 HydrophobicContact CB-CB 4.47Å; V198-D651 VanDerWaalsContact CB-OD1 3.24Å; V198-D651 WeakPolarHBondContact CB-OD1 3.34Å; V198-D651 HydrophobicContact CG2-CB 3.86Å; V198-D651 WeakPolarHBondContact CG2-OD1 3.35Å; V198-D651 PolarHBondContact N-OD1 3.03Å; V198-D651 PolarHBondContact N-OD2 2.88Å; A647-D651 VanDerWaalsContact O-CB 3.27Å; A647-D651 WeakPolarHBondContact O-CB 3.4Å; A647-D651 PolarHBondContact O-N 3.11Å; R648-D651 PolarHBondContact O-N 2.61Å; D651-L653 PolarHBondContact O-N 3.07Å; D651-I654 PolarHBondContact O-N 3.2Å; D651-L655 WeakPolarHBondContact O-CG 3.35Å; D651-L655 PolarHBondContact O-N 2.86Å; D651-R687 IonicContact OD1-CZ 3.6Å; D651-R687 IonicContact OD1-NE 2.8Å; D651-R687 IonicContact OD1-NH2 3.84Å; D651-R687 PolarHBondContact OD1-NH2 2.87Å; D651-R687 IonicContact OD2-NH2 2.66Å; D651-R687 PolarHBondContact OD2-NH2 3.11Å
652	L	90.9	Very high	89.6	Confident	47 Å²	47	26 Å²	26	25%	0.246	14%	0.135	C	C	.	.	H	α-helix	trans	-64.9	-38.3	177.1	-172.2	57.6	0	0	0	112.6	F184 L188 L193 L594 R648 L650 Y656	F184-L652 HydrophobicContact CZ-CD1 4.23Å; L188-L652 HydrophobicContact CD1-CD1 4.29Å; L193-L652 HydrophobicContact CB-CD1 4.31Å; L594-L652 HydrophobicContact CD1-CG 4.47Å; L594-L652 HydrophobicContact CD2-CD2 3.75Å; L594-L652 HydrophobicContact CD2-CG 3.99Å; R648-L652 PolarHBondContact O-N 2.93Å; L650-L652 VanDerWaalsContact C-N 3.33Å; L650-L652 PolarHBondContact O-N 3.3Å; L652-Y656 WeakPolarHBondContact O-CB 3.36Å; L652-Y656 PolarHBondContact O-N 3.41Å
653	L	91.8	Very high	90.3	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-68.8	-36.7	172.9	-66.3	-175.4	0	0	0	112.5	L532 A535 A536 L594 L595 L598 T649 L650 D651 Y656 L657	L532-L653 HydrophobicContact CD1-CD1 3.88Å; A535-L653 HydrophobicContact CB-CB 4.26Å; A535-L653 HydrophobicContact CB-CD1 4.26Å; A536-L653 HydrophobicContact CB-CD1 4.43Å; L594-L653 HydrophobicContact CB-CD2 3.72Å; L594-L653 HydrophobicContact CD1-CD2 4.43Å; L595-L653 HydrophobicContact CD2-CD1 4.25Å; L595-L653 HydrophobicContact CD2-CD2 3.75Å; L598-L653 HydrophobicContact CD2-CD1 4.26Å; T649-L653 PolarHBondContact O-N 3.2Å; L650-L653 PolarHBondContact O-N 2.89Å; D651-L653 PolarHBondContact O-N 3.07Å; L653-Y656 PolarHBondContact O-N 2.96Å; L653-L657 WeakPolarHBondContact O-CG 3.47Å; L653-L657 PolarHBondContact O-N 3.15Å
654	I	93.5	Very high	90.8	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-67.5	-42	176.9	-69.6	167.3	0	0	0	110.7	V198 L650 D651 L657 R658 Y665 Y666	V198-I654 HydrophobicContact CG1-CG2 4.45Å; V198-I654 HydrophobicContact CG2-CG2 4.39Å; L650-I654 HydrophobicContact CD1-CD1 3.79Å; L650-I654 HydrophobicContact CD1-CG1 4.18Å; L650-I654 HydrophobicContact CG-CD1 3.75Å; L650-I654 WeakPolarHBondContact O-CG1 3.43Å; L650-I654 PolarHBondContact O-N 3.14Å; D651-I654 PolarHBondContact O-N 3.2Å; I654-L657 PolarHBondContact O-N 3.45Å; I654-R658 WeakPolarHBondContact O-CB 3.23Å; I654-R658 PolarHBondContact O-N 2.68Å; I654-Y665 HydrophobicContact CD1-CD1 3.9Å; I654-Y665 HydrophobicContact CD1-CE1 4.42Å; I654-Y665 HydrophobicContact CD1-CG 4.43Å; I654-Y665 HydrophobicContact CG1-CD1 3.97Å; I654-Y665 HydrophobicContact CG1-CG 3.99Å; I654-Y666 HydrophobicContact CD1-CD2 4.48Å; I654-Y666 HydrophobicContact CD1-CE1 4.42Å; I654-Y666 HydrophobicContact CD1-CE2 3.57Å; I654-Y666 VanDerWaalsContact CD1-OH 3.26Å; I654-Y666 WeakPolarHBondContact CD1-OH 3.29Å
655	L	92.9	Very high	91.3	Very high	5 Å²	5	18.4 Å²	18.4	3%	0.026	9%	0.087	C	C	.	.	H	α-helix	trans	-64.1	-39.3	174.1	-69.1	173.7	0	0	0	111.7	L193 Q196 V198 L206 L209 D651 R658 I659	L193-L655 HydrophobicContact CD2-CB 4.36Å; L193-L655 HydrophobicContact CD2-CD1 4.02Å; Q196-L655 HydrophobicContact CB-CD1 4.05Å; V198-L655 HydrophobicContact CG2-CD2 4.18Å; V198-L655 HydrophobicContact CG2-CG 4.07Å; L206-L655 HydrophobicContact CD2-CD2 4.35Å; L209-L655 HydrophobicContact CD2-CD1 4.11Å; L209-L655 HydrophobicContact CD2-CD2 3.82Å; D651-L655 WeakPolarHBondContact O-CG 3.35Å; D651-L655 PolarHBondContact O-N 2.86Å; L655-R658 PolarHBondContact O-N 3.23Å; L655-I659 WeakPolarHBondContact O-CB 3.34Å; L655-I659 VanDerWaalsContact O-CG1 3.3Å; L655-I659 WeakPolarHBondContact O-CG1 3.33Å; L655-I659 PolarHBondContact O-N 3.12Å
656	Y	93.9	Very high	91.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.9	-51.3	172.6	-178.5	-90.7	0	0	0	112.2	L181 F184 M185 V539 D543 W549 N592 L594 L652 L653 R658 I659 V660 H661	L181-Y656 HydrophobicContact CD1-CE2 3.54Å; F184-Y656 AromaticContact CD1-CD2 3.94Å; F184-Y656 HydrophobicContact CD1-CD2 3.94Å; F184-Y656 HydrophobicContact CD1-CE2 4.4Å; F184-Y656 HydrophobicContact CD2-CD2 4.41Å; F184-Y656 AromaticContact CE1-CD2 3.69Å; F184-Y656 HydrophobicContact CE1-CD2 3.69Å; F184-Y656 HydrophobicContact CE1-CE2 4.44Å; F184-Y656 HydrophobicContact CE2-CD2 4.18Å; F184-Y656 HydrophobicContact CG-CD2 4.3Å; F184-Y656 AromaticContact CZ-CD2 3.82Å; F184-Y656 HydrophobicContact CZ-CD2 3.82Å; F184-Y656 HydrophobicContact CZ-CG 4.4Å; M185-Y656 HydrophobicContact CE-CE2 4.44Å; V539-Y656 HydrophobicContact CG1-CD1 4.03Å; V539-Y656 HydrophobicContact CG1-CE1 3.74Å; V539-Y656 HydrophobicContact CG2-CD1 3.94Å; V539-Y656 HydrophobicContact CG2-CE1 4.39Å; D543-Y656 WeakPolarHBondContact OD1-CE1 3.47Å; D543-Y656 PolarHBondContact OD1-OH 2.82Å; D543-Y656 VanDerWaalsContact OD1-OH 3.05Å; D543-Y656 PolarHBondContact OD2-OH 3.34Å; W549-Y656 PolarHBondContact NE1-OH 2.95Å; N592-Y656 PolarHBondContact ND2-OH 2.87Å; L594-Y656 HydrophobicContact CD1-CD2 3.46Å; L594-Y656 VanDerWaalsContact CD1-CD2 3.46Å; L594-Y656 HydrophobicContact CD1-CE2 4.26Å; L594-Y656 HydrophobicContact CD1-CG 3.7Å; L652-Y656 WeakPolarHBondContact O-CB 3.36Å; L652-Y656 PolarHBondContact O-N 3.41Å; L653-Y656 PolarHBondContact O-N 2.96Å; Y656-R658 PolarHBondContact O-N 3.38Å; Y656-I659 PolarHBondContact O-N 2.98Å; Y656-V660 HydrophobicContact CD2-CG2 3.81Å; Y656-V660 HydrophobicContact CE1-CB 4.41Å; Y656-V660 HydrophobicContact CE2-CB 4.39Å; Y656-V660 HydrophobicContact CE2-CG2 3.7Å; Y656-V660 HydrophobicContact CG-CG2 4.31Å; Y656-V660 WeakPolarHBondContact O-CB 3.49Å; Y656-V660 PolarHBondContact O-N 3.47Å; Y656-H661 AromaticContact CE1-CD2 3.78Å; Y656-H661 AromaticContact CE1-NE2 3.71Å
657	L	93.2	Very high	91.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-56.5	-39.3	175.6	-75.2	172.7	0	0	0	111.7	A535 L538 V539 L542 L653 I654 H661 S662 M663 Y665	A535-L657 HydrophobicContact CB-CD1 4.36Å; L538-L657 HydrophobicContact CB-CD1 4.39Å; L538-L657 HydrophobicContact CB-CD2 4.27Å; V539-L657 HydrophobicContact CG2-CD1 4.25Å; V539-L657 HydrophobicContact CG2-CD2 3.61Å; V539-L657 HydrophobicContact CG2-CG 3.72Å; L542-L657 HydrophobicContact CD1-CD2 3.57Å; L653-L657 WeakPolarHBondContact O-CG 3.47Å; L653-L657 PolarHBondContact O-N 3.15Å; I654-L657 PolarHBondContact O-N 3.45Å; L657-H661 CarbonylContact O-C 3.49Å; L657-H661 PolarHBondContact O-N 3.19Å; L657-S662 PolarHBondContact O-N 3.47Å; L657-M663 CarbonylContact C-O 3.57Å; L657-M663 HydrophobicContact CB-CB 4.32Å; L657-M663 HydrophobicContact CD1-SD 4.44Å; L657-M663 HydrophobicContact CD2-SD 4.13Å; L657-M663 PolarHBondContact O-N 3.43Å; L657-Y665 HydrophobicContact CD1-CD2 3.91Å
658	R	93.4	Very high	91.5	Very high	5 Å²	5	16.7 Å²	16.7	2%	0.019	9%	0.086	C	C	.	.	H	α-helix	trans	-72.8	-40.3	-178.1	-174.5	64.4	-168.4	89.8	-12	113.9	I654 L655 Y656 S662 M663 E674 I683 L684	I654-R658 WeakPolarHBondContact O-CB 3.23Å; I654-R658 PolarHBondContact O-N 2.68Å; L655-R658 PolarHBondContact O-N 3.23Å; Y656-R658 PolarHBondContact O-N 3.38Å; R658-S662 WeakPolarHBondContact O-CA 3.32Å; R658-M663 VanDerWaalsContact CA-O 3.24Å; R658-M663 WeakPolarHBondContact CA-O 3.38Å; R658-M663 PolarHBondContact N-O 3.13Å; R658-E674 IonicContact CZ-OE1 2.68Å; R658-E674 IonicContact CZ-OE2 2.64Å; R658-E674 IonicContact NH1-OE1 2.65Å; R658-E674 IonicContact NH1-OE2 2.88Å; R658-E674 PolarHBondContact NH1-OE2 3.4Å; R658-E674 IonicContact NH2-OE1 3.06Å; R658-E674 PolarHBondContact NH2-OE1 3.14Å; R658-E674 IonicContact NH2-OE2 2.69Å; R658-E674 PolarHBondContact NH2-OE2 3.3Å; R658-I683 VanDerWaalsContact CZ-O 3.26Å; R658-I683 PolarHBondContact NE-O 3.24Å; R658-I683 PolarHBondContact NH2-O 3.34Å; R658-L684 HydrophobicContact CG-CD1 4.13Å
659	I	92.6	Very high	91.5	Very high	10 Å²	10	10.3 Å²	10.3	5%	0.051	7%	0.067	C	C	.	.	H	α-helix	trans	-85.6	-49.2	-174.5	-66.1	166.3	0	0	0	111	F184 L193 V213 L655 Y656	F184-I659 HydrophobicContact CB-CG2 4.06Å; F184-I659 HydrophobicContact CD2-CB 4.05Å; F184-I659 HydrophobicContact CD2-CD1 3.92Å; F184-I659 HydrophobicContact CD2-CG2 4.08Å; F184-I659 HydrophobicContact CE2-CD1 4.29Å; L193-I659 HydrophobicContact CD2-CD1 4.1Å; V213-I659 HydrophobicContact CG1-CG1 4.49Å; V213-I659 HydrophobicContact CG1-CG2 4.01Å; V213-I659 HydrophobicContact CG2-CD1 3.82Å; V213-I659 HydrophobicContact CG2-CG1 4.07Å; V213-I659 HydrophobicContact CG2-CG2 4.28Å; L655-I659 WeakPolarHBondContact O-CB 3.34Å; L655-I659 VanDerWaalsContact O-CG1 3.3Å; L655-I659 WeakPolarHBondContact O-CG1 3.33Å; L655-I659 PolarHBondContact O-N 3.12Å; Y656-I659 PolarHBondContact O-N 2.98Å
660	V	92.3	Very high	91.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-51.3	-175.2	-176.2	0	0	0	0	110.9	R180 L181 F184 L548 Y656	R180-V660 VanDerWaalsContact CD-O 3.32Å; R180-V660 WeakPolarHBondContact CD-O 3.37Å; R180-V660 PolarHBondContact NH1-O 3.1Å; L181-V660 HydrophobicContact CB-CG1 4.13Å; L181-V660 HydrophobicContact CD1-CG1 4.39Å; L181-V660 HydrophobicContact CD1-CG2 4.13Å; F184-V660 HydrophobicContact CB-CG2 3.85Å; F184-V660 HydrophobicContact CD2-CG2 4.34Å; F184-V660 HydrophobicContact CG-CG2 4.05Å; L548-V660 HydrophobicContact CD1-CG1 3.75Å; Y656-V660 HydrophobicContact CD2-CG2 3.81Å; Y656-V660 HydrophobicContact CE1-CB 4.41Å; Y656-V660 HydrophobicContact CE2-CB 4.39Å; Y656-V660 HydrophobicContact CE2-CG2 3.7Å; Y656-V660 HydrophobicContact CG-CG2 4.31Å; Y656-V660 WeakPolarHBondContact O-CB 3.49Å; Y656-V660 PolarHBondContact O-N 3.47Å
661	H	90.6	Very high	91.4	Very high	16 Å²	16	13.6 Å²	13.6	7%	0.074	8%	0.082	C	C	.	.	S	Bend	trans	-98.7	2.2	-170.9	-66.1	-67.2	0	0	0	114.8	L542 D543 Y656 L657 M663	L542-H661 HydrophobicContact CD1-CB 4.05Å; D543-H661 IonicContact OD1-CD2 3.96Å; D543-H661 IonicContact OD1-CE1 2.69Å; D543-H661 IonicContact OD1-NE2 3.94Å; D543-H661 PolarHBondContact OD1-NE2 3.15Å; Y656-H661 AromaticContact CE1-CD2 3.78Å; Y656-H661 AromaticContact CE1-NE2 3.71Å; L657-H661 CarbonylContact O-C 3.49Å; L657-H661 PolarHBondContact O-N 3.19Å; H661-M663 PolarHBondContact O-N 2.75Å
662	S	92.1	Very high	91	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.021	11%	0.105	C	C	.	.			trans	49.7	36.1	-172.3	-90.1	0	0	0	0	113.5	R180 L657 R658 Y671 E674	R180-S662 VanDerWaalsContact NH1-CB 3.31Å; R180-S662 PolarHBondContact NH1-OG 3.26Å; R180-S662 PolarHBondContact NH2-OG 3Å; R180-S662 VanDerWaalsContact NH2-OG 3.16Å; L657-S662 PolarHBondContact O-N 3.47Å; R658-S662 WeakPolarHBondContact O-CA 3.32Å; S662-Y671 WeakPolarHBondContact CB-O 3.33Å; S662-Y671 PolarHBondContact O-N 2.84Å; S662-E674 WeakPolarHBondContact CB-OE2 3.26Å; S662-E674 WeakPolarHBondContact OG-CB 3.47Å; S662-E674 PolarHBondContact OG-OE2 2.74Å
663	M	91.4	Very high	90.6	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124	178.3	178.2	176.1	-74.2	0	0	110.8	L538 L542 L657 R658 H661 Y665 A669 I670 L724	L538-M663 HydrophobicContact CD1-SD 4.04Å; L538-M663 HydrophobicContact CD2-CE 4.04Å; L538-M663 HydrophobicContact CD2-SD 4.11Å; L542-M663 HydrophobicContact CD1-CE 3.71Å; L542-M663 HydrophobicContact CD1-SD 4.11Å; L542-M663 HydrophobicContact CD2-CE 4.45Å; L657-M663 CarbonylContact C-O 3.57Å; L657-M663 HydrophobicContact CB-CB 4.32Å; L657-M663 HydrophobicContact CD1-SD 4.44Å; L657-M663 HydrophobicContact CD2-SD 4.13Å; L657-M663 PolarHBondContact O-N 3.43Å; R658-M663 VanDerWaalsContact CA-O 3.24Å; R658-M663 WeakPolarHBondContact CA-O 3.38Å; R658-M663 PolarHBondContact N-O 3.13Å; H661-M663 PolarHBondContact O-N 2.75Å; M663-Y665 PolarHBondContact O-N 3.47Å; M663-A669 CarbonylContact C-O 3.57Å; M663-A669 WeakPolarHBondContact CA-O 2.99Å; M663-I670 HydrophobicContact CB-CG1 4.46Å; M663-I670 HydrophobicContact CE-CD1 3.52Å; M663-I670 HydrophobicContact CE-CG1 3.52Å; M663-I670 HydrophobicContact CG-CG1 4.37Å; M663-L724 HydrophobicContact CE-CD1 4.06Å
664	D	93.1	Very high	90.5	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	102.4	165	-174.2	-32.8	0	0	0	108.2	Y666 A667 G668 A669 Y671 L684 H685	D664-Y666 PolarHBondContact O-N 3.15Å; D664-Y666 PolarHBondContact OD1-N 3.17Å; D664-A667 HydrophobicContact CB-CB 3.8Å; D664-A667 VanDerWaalsContact CG-CB 3.48Å; D664-A667 PolarHBondContact O-N 2.65Å; D664-A667 WeakPolarHBondContact OD1-CB 3.31Å; D664-A667 PolarHBondContact OD1-N 3.16Å; D664-G668 PolarHBondContact O-N 2.92Å; D664-A669 PolarHBondContact N-O 3.05Å; D664-A669 PolarHBondContact O-N 2.78Å; D664-Y671 HydrophobicContact CB-CE2 3.98Å; D664-L684 WeakPolarHBondContact OD2-CA 3.2Å; D664-H685 IonicContact OD1-CG 3.98Å; D664-H685 IonicContact OD1-ND1 2.75Å; D664-H685 IonicContact OD2-CE1 3.6Å; D664-H685 IonicContact OD2-CG 3.23Å; D664-H685 PolarHBondContact OD2-N 3.1Å; D664-H685 IonicContact OD2-ND1 3.5Å; D664-H685 PolarHBondContact OD2-ND1 3.09Å
665	Y	93.1	Very high	90.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-51.3	-173.9	176.8	-97.7	0	0	0	112.3	D531 A535 L538 I654 L657 M663 G668 F717 L721	D531-Y665 WeakPolarHBondContact CA-OH 3.35Å; D531-Y665 HydrophobicContact CB-CE1 4.14Å; D531-Y665 WeakPolarHBondContact CB-OH 3.49Å; D531-Y665 PolarHBondContact O-OH 3.41Å; D531-Y665 VanDerWaalsContact O-OH 3.1Å; D531-Y665 PolarHBondContact OD1-OH 2.9Å; A535-Y665 HydrophobicContact CB-CD2 4.33Å; A535-Y665 HydrophobicContact CB-CE2 3.85Å; L538-Y665 HydrophobicContact CD1-CD2 4.01Å; L538-Y665 HydrophobicContact CD1-CE2 3.96Å; I654-Y665 HydrophobicContact CD1-CD1 3.9Å; I654-Y665 HydrophobicContact CD1-CE1 4.42Å; I654-Y665 HydrophobicContact CD1-CG 4.43Å; I654-Y665 HydrophobicContact CG1-CD1 3.97Å; I654-Y665 HydrophobicContact CG1-CG 3.99Å; L657-Y665 HydrophobicContact CD1-CD2 3.91Å; M663-Y665 PolarHBondContact O-N 3.47Å; Y665-G668 PolarHBondContact O-N 3.2Å; Y665-F717 HydrophobicContact CD1-CZ 4.15Å; Y665-F717 AromaticContact CE1-CE1 3.65Å; Y665-F717 HydrophobicContact CE1-CE1 3.65Å; Y665-F717 AromaticContact CE1-CZ 3.73Å; Y665-F717 HydrophobicContact CE1-CZ 3.73Å; Y665-F717 AromaticContact CZ-CE1 3.72Å; Y665-F717 WeakPolarHBondContact O-CZ 3.24Å; Y665-F717 WeakPolarHBondContact OH-CE1 3.46Å; Y665-L721 HydrophobicContact CD2-CD1 4.41Å; Y665-L721 HydrophobicContact CE2-CD1 3.69Å
666	Y	92.1	Very high	90	Very high	12 Å²	12	21.8 Å²	21.8	5%	0.047	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-24.2	-175.5	-62.8	-69.7	0	0	0	113.4	V198 L518 T522 I654 D664 G668 R687 F717	V198-Y666 HydrophobicContact CG1-CE2 4.37Å; L518-Y666 HydrophobicContact CD1-CD1 3.77Å; L518-Y666 HydrophobicContact CD1-CD2 3.35Å; L518-Y666 HydrophobicContact CD1-CE1 4.38Å; L518-Y666 HydrophobicContact CD1-CE2 4Å; L518-Y666 HydrophobicContact CD1-CG 3.21Å; L518-Y666 HydrophobicContact CG-CG 4.47Å; T522-Y666 HydrophobicContact CG2-CD1 4.28Å; T522-Y666 HydrophobicContact CG2-CE1 4.16Å; I654-Y666 HydrophobicContact CD1-CD2 4.48Å; I654-Y666 HydrophobicContact CD1-CE1 4.42Å; I654-Y666 HydrophobicContact CD1-CE2 3.57Å; I654-Y666 VanDerWaalsContact CD1-OH 3.26Å; I654-Y666 WeakPolarHBondContact CD1-OH 3.29Å; D664-Y666 PolarHBondContact O-N 3.15Å; D664-Y666 PolarHBondContact OD1-N 3.17Å; Y666-G668 VanDerWaalsContact C-N 3.28Å; Y666-R687 HydrophobicContact CE1-CG 4.48Å; Y666-R687 HydrophobicContact CE2-CG 4Å; Y666-R687 WeakPolarHBondContact OH-CD 3.48Å; Y666-R687 PolarHBondContact OH-NE 2.89Å; Y666-F717 HydrophobicContact CD1-CZ 4.23Å
667	A	88.9	Confident	89.8	Confident	37 Å²	37	22.4 Å²	22.4	31%	0.306	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-29.9	166.6	0	0	0	0	0	112.2	D664 A669	D664-A667 HydrophobicContact CB-CB 3.8Å; D664-A667 VanDerWaalsContact CG-CB 3.48Å; D664-A667 PolarHBondContact O-N 2.65Å; D664-A667 WeakPolarHBondContact OD1-CB 3.31Å; D664-A667 PolarHBondContact OD1-N 3.16Å; A667-A669 HydrophobicContact CB-CB 3.91Å
668	G	85.8	Confident	89.6	Confident	19 Å²	19	22.6 Å²	22.6	20%	0.196	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	68	37.9	-165.8	0	0	0	0	0	111.8	D664 Y665 Y666	D664-G668 PolarHBondContact O-N 2.92Å; Y665-G668 PolarHBondContact O-N 3.2Å; Y666-G668 VanDerWaalsContact C-N 3.28Å
669	A	86.9	Confident	89.3	Confident	28 Å²	28	23.9 Å²	23.9	23%	0.231	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.6	-173.8	0	0	0	0	0	112.2	M663 D664 A667 Y671	M663-A669 CarbonylContact C-O 3.57Å; M663-A669 WeakPolarHBondContact CA-O 2.99Å; D664-A669 PolarHBondContact N-O 3.05Å; D664-A669 PolarHBondContact O-N 2.78Å; A667-A669 HydrophobicContact CB-CB 3.91Å; A669-Y671 HydrophobicContact CB-CE1 4.41Å
670	I	88.2	Confident	89.1	Confident	65 Å²	65	24.5 Å²	24.5	33%	0.333	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.6	173.2	-55.1	175.7	0	0	0	107.9	M663 P672 L724	M663-I670 HydrophobicContact CB-CG1 4.46Å; M663-I670 HydrophobicContact CE-CD1 3.52Å; M663-I670 HydrophobicContact CE-CG1 3.52Å; M663-I670 HydrophobicContact CG-CG1 4.37Å; I670-P672 VanDerWaalsContact C-CD 3.48Å; I670-P672 WeakPolarHBondContact O-CD 3.49Å; I670-L724 HydrophobicContact CD1-CD2 4.15Å; I670-L724 HydrophobicContact CG1-CD2 4.38Å
671	Y	89.6	Confident	88.9	Confident	28 Å²	28	24.6 Å²	24.6	11%	0.11	14%	0.142	C	C	.	.			trans	-106.1	76.8	175.9	-50.1	-59.2	0	0	0	110.4	S662 D664 A669 M673 E674 Y992	S662-Y671 WeakPolarHBondContact CB-O 3.33Å; S662-Y671 PolarHBondContact O-N 2.84Å; D664-Y671 HydrophobicContact CB-CE2 3.98Å; A669-Y671 HydrophobicContact CB-CE1 4.41Å; Y671-M673 PolarHBondContact O-N 2.98Å; Y671-E674 PolarHBondContact O-N 3.43Å; Y671-Y992 HydrophobicContact CD1-CD2 4.38Å; Y671-Y992 AromaticContact CD1-CE2 3.83Å; Y671-Y992 HydrophobicContact CD1-CE2 3.83Å; Y671-Y992 AromaticContact CE1-CE2 3.98Å; Y671-Y992 HydrophobicContact CE1-CE2 3.98Å; Y671-Y992 HydrophobicContact CG-CE2 4.21Å
672	P	84.4	Confident	88.7	Confident	79 Å²	79	23.9 Å²	23.9	51%	0.513	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.8	-165.5	28.9	-38.8	0	0	0	115.7	I670	I670-P672 VanDerWaalsContact C-CD 3.48Å; I670-P672 WeakPolarHBondContact O-CD 3.49Å
673	M	83.9	Confident	88.7	Confident	40 Å²	40	23.7 Å²	23.7	20%	0.197	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	25.4	179.3	-58.2	-167.3	-59.1	0	0	112.2	L456 W457 Y671 D675 L676 M677	L456-M673 WeakPolarHBondContact O-CE 3.22Å; W457-M673 HydrophobicContact CD2-CE 4.27Å; W457-M673 HydrophobicContact CE3-CE 3.55Å; W457-M673 HydrophobicContact CZ3-CE 3.84Å; Y671-M673 PolarHBondContact O-N 2.98Å; M673-D675 PolarHBondContact O-N 2.79Å; M673-L676 PolarHBondContact O-N 3.42Å; M673-M677 PolarHBondContact O-N 3.19Å
674	E	89.7	Confident	88.7	Confident	4 Å²	4	23.7 Å²	23.7	2%	0.019	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.4	-178.5	-149.1	175.4	-169.2	0	0	112.6	R658 S662 Y671 L676 M677 H679 R680 C681 G682 Y992	R658-E674 IonicContact CZ-OE1 2.68Å; R658-E674 IonicContact CZ-OE2 2.64Å; R658-E674 IonicContact NH1-OE1 2.65Å; R658-E674 IonicContact NH1-OE2 2.88Å; R658-E674 PolarHBondContact NH1-OE2 3.4Å; R658-E674 IonicContact NH2-OE1 3.06Å; R658-E674 PolarHBondContact NH2-OE1 3.14Å; R658-E674 IonicContact NH2-OE2 2.69Å; R658-E674 PolarHBondContact NH2-OE2 3.3Å; S662-E674 WeakPolarHBondContact CB-OE2 3.26Å; S662-E674 WeakPolarHBondContact OG-CB 3.47Å; S662-E674 PolarHBondContact OG-OE2 2.74Å; Y671-E674 PolarHBondContact O-N 3.43Å; E674-L676 VanDerWaalsContact C-N 3.26Å; E674-L676 PolarHBondContact O-N 3.02Å; E674-M677 WeakPolarHBondContact O-CB 3.41Å; E674-M677 PolarHBondContact O-N 2.99Å; E674-M677 VanDerWaalsContact O-N 3.17Å; E674-H679 WeakPolarHBondContact CG-O 3.4Å; E674-R680 VanDerWaalsContact CD-O 3.24Å; E674-R680 VanDerWaalsContact CG-O 3.28Å; E674-R680 WeakPolarHBondContact CG-O 3.48Å; E674-C681 WeakPolarHBondContact OE1-CA 3.44Å; E674-G682 PolarHBondContact OE1-N 2.75Å; E674-Y992 PolarHBondContact OE1-OH 2.91Å
675	D	87.9	Confident	88.6	Confident	29 Å²	29	25.2 Å²	25.2	16%	0.155	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.7	174.9	-81.1	-25.4	0	0	0	114.9	R180 R453 M673 R680	R180-D675 IonicContact CZ-OD1 3.65Å; R180-D675 IonicContact CZ-OD2 2.76Å; R180-D675 VanDerWaalsContact NE-CG 3.34Å; R180-D675 IonicContact NE-OD1 3.64Å; R180-D675 PolarHBondContact NE-OD1 3.47Å; R180-D675 IonicContact NE-OD2 3.45Å; R180-D675 PolarHBondContact NE-OD2 3.49Å; R180-D675 IonicContact NH2-OD1 2.62Å; R180-D675 PolarHBondContact NH2-OD1 3.21Å; R180-D675 IonicContact NH2-OD2 3.66Å; R180-D675 PolarHBondContact NH2-OD2 2.88Å; R453-D675 PolarHBondContact NH1-O 3.42Å; M673-D675 PolarHBondContact O-N 2.79Å; D675-R680 WeakPolarHBondContact O-CD 3.29Å; D675-R680 IonicContact OD1-CZ 2.67Å; D675-R680 IonicContact OD1-NE 3.8Å; D675-R680 PolarHBondContact OD1-NE 2.91Å; D675-R680 IonicContact OD1-NH2 3.52Å; D675-R680 PolarHBondContact OD1-NH2 3.49Å
676	L	87.9	Confident	88.5	Confident	81 Å²	81	25.2 Å²	25.2	42%	0.424	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-22	173.8	-58.4	179.4	0	0	0	111.9	R453 A455 M673 E674	R453-L676 PolarHBondContact NH1-O 2.93Å; A455-L676 HydrophobicContact CB-CB 3.72Å; M673-L676 PolarHBondContact O-N 3.42Å; E674-L676 VanDerWaalsContact C-N 3.26Å; E674-L676 PolarHBondContact O-N 3.02Å
677	M	89	Confident	88.4	Confident	13 Å²	13	24.7 Å²	24.7	6%	0.064	14%	0.142	C	C	.	.	S	Bend	trans	-71.8	143.9	-178	-158.9	59.9	67	0	0	111.5	R453 W457 W470 M673 E674 H679	R453-M677 PolarHBondContact NH1-O 2.99Å; W457-M677 HydrophobicContact CE3-CE 4.33Å; W457-M677 HydrophobicContact CZ3-CE 4.27Å; W470-M677 HydrophobicContact CB-SD 4.47Å; W470-M677 HydrophobicContact CD2-CE 4.27Å; W470-M677 HydrophobicContact CD2-SD 3.58Å; W470-M677 VanDerWaalsContact CD2-SD 3.58Å; W470-M677 HydrophobicContact CE3-CE 3.81Å; W470-M677 HydrophobicContact CE3-SD 3.71Å; W470-M677 HydrophobicContact CG-SD 3.93Å; W470-M677 HydrophobicContact CH2-CE 4.16Å; W470-M677 HydrophobicContact CH2-SD 4.48Å; W470-M677 HydrophobicContact CZ2-SD 4.36Å; W470-M677 HydrophobicContact CZ3-CE 3.74Å; W470-M677 HydrophobicContact CZ3-SD 4.16Å; M673-M677 PolarHBondContact O-N 3.19Å; E674-M677 WeakPolarHBondContact O-CB 3.41Å; E674-M677 PolarHBondContact O-N 2.99Å; E674-M677 VanDerWaalsContact O-N 3.17Å; M677-H679 CarbonylContact O-C 3.52Å; M677-H679 PolarHBondContact O-N 3.26Å
678	P	88.4	Confident	87.9	Confident	4 Å²	4	23.1 Å²	23.1	3%	0.026	13%	0.13	C	C	.	.	S	Bend	trans	-48.7	-39.5	-175.2	-31.5	34.7	0	0	0	114.9	T424 S426 R453 W470 T472	T424-P678 PolarHBondContact OG1-O 2.91Å; S426-P678 VanDerWaalsContact CB-CG 3.41Å; S426-P678 WeakPolarHBondContact OG-CG 3.47Å; R453-P678 PolarHBondContact NH2-O 3.43Å; W470-P678 HydrophobicContact CB-CG 3.93Å; W470-P678 HydrophobicContact CG-CG 4.4Å; T472-P678 HydrophobicContact CG2-CB 4.18Å
679	H	88.1	Confident	87	Confident	32 Å²	32	24 Å²	24	15%	0.148	13%	0.129	C	C	.	.	S	Bend	trans	-98.9	109.7	171.9	-49.4	-62.9	0	0	0	110.3	L511 E674 M677 C681	L511-H679 HydrophobicContact CD1-CB 4.29Å; E674-H679 WeakPolarHBondContact CG-O 3.4Å; M677-H679 CarbonylContact O-C 3.52Å; M677-H679 PolarHBondContact O-N 3.26Å; H679-C681 PolarHBondContact O-N 3.36Å
680	R	86.9	Confident	85.5	Confident	22 Å²	22	33.6 Å²	33.6	8%	0.083	16%	0.16	C	C	.	.	S	Bend	trans	-65.2	-25	179	-55.5	-77.5	-72.9	-85.6	3	113.4	V214 L217 E218 R453 E674 D675	V214-R680 HydrophobicContact CG1-CB 4.37Å; V214-R680 HydrophobicContact CG1-CG 4.26Å; V214-R680 HydrophobicContact CG2-CB 4.1Å; L217-R680 HydrophobicContact CD1-CB 4.23Å; L217-R680 VanDerWaalsContact O-CZ 3.29Å; L217-R680 PolarHBondContact O-NH1 3.15Å; L217-R680 PolarHBondContact O-NH2 3.29Å; E218-R680 WeakPolarHBondContact OE1-CD 3.32Å; E218-R680 VanDerWaalsContact OE1-CG 3.27Å; E218-R680 WeakPolarHBondContact OE1-CG 3.17Å; E218-R680 IonicContact OE1-CZ 3.48Å; E218-R680 IonicContact OE1-NH1 3.24Å; E218-R680 PolarHBondContact OE1-NH1 3.43Å; E218-R680 IonicContact OE2-NH1 3.65Å; E218-R680 PolarHBondContact OE2-NH1 2.95Å; E218-R680 VanDerWaalsContact OE2-NH1 3.11Å; R453-R680 VanDerWaalsContact CZ-CD 3.49Å; E674-R680 VanDerWaalsContact CD-O 3.24Å; E674-R680 VanDerWaalsContact CG-O 3.28Å; E674-R680 WeakPolarHBondContact CG-O 3.48Å; D675-R680 WeakPolarHBondContact O-CD 3.29Å; D675-R680 IonicContact OD1-CZ 2.67Å; D675-R680 IonicContact OD1-NE 3.8Å; D675-R680 PolarHBondContact OD1-NE 2.91Å; D675-R680 IonicContact OD1-NH2 3.52Å; D675-R680 PolarHBondContact OD1-NH2 3.49Å
681	C	89.3	Confident	83.8	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.02	16%	0.156	C	C	.	.	S	Bend	trans	-146.2	85.3	176	-165.4	0	0	0	0	108.4	M210 V214 R514 E674 H679	M210-C681 HydrophobicContact CB-CB 4.48Å; M210-C681 WeakPolarHBondContact CE-O 3.27Å; V214-C681 HydrophobicContact CG2-CB 3.96Å; R514-C681 PolarHBondContact NH2-O 2.94Å; E674-C681 WeakPolarHBondContact OE1-CA 3.44Å; H679-C681 PolarHBondContact O-N 3.36Å
682	G	86.3	Confident	82.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.			trans	-87.6	-75.6	-167.2	0	0	0	0	0	114.8	M210 R514 E674 Y992	M210-G682 WeakPolarHBondContact CE-O 3.47Å; R514-G682 WeakPolarHBondContact CB-O 3.34Å; R514-G682 WeakPolarHBondContact CG-O 3.28Å; R514-G682 PolarHBondContact NE-O 2.98Å; R514-G682 VanDerWaalsContact NE-O 3.13Å; E674-G682 PolarHBondContact OE1-N 2.75Å; G682-Y992 VanDerWaalsContact CA-OH 3.27Å; G682-Y992 WeakPolarHBondContact CA-OH 3.24Å
683	I	91.1	Very high	80.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.			trans	-100.4	146.6	-175.5	-65.7	167.6	0	0	0	111.7	L511 R514 R516 R658 Y992 L995	L511-I683 HydrophobicContact CD1-CG1 4.3Å; R514-I683 CarbonylContact O-C 3.5Å; R514-I683 WeakPolarHBondContact O-CA 3.39Å; R516-I683 HydrophobicContact CG-CG2 4.33Å; R658-I683 VanDerWaalsContact CZ-O 3.26Å; R658-I683 PolarHBondContact NE-O 3.24Å; R658-I683 PolarHBondContact NH2-O 3.34Å; I683-Y992 HydrophobicContact CB-CE1 4.48Å; I683-Y992 HydrophobicContact CD1-CD1 3.91Å; I683-Y992 HydrophobicContact CD1-CE1 3.46Å; I683-Y992 VanDerWaalsContact CD1-CE1 3.46Å; I683-Y992 HydrophobicContact CG1-CE1 3.73Å; I683-Y992 PolarHBondContact N-OH 2.85Å; I683-L995 HydrophobicContact CD1-CD1 3.9Å
684	L	92.3	Very high	78.7	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	133.7	169.3	171.8	61.5	0	0	0	109.8	L206 M210 R514 V515 R516 R658 D664	L206-L684 HydrophobicContact CD1-CD2 4.49Å; L206-L684 HydrophobicContact CD2-CD2 4.49Å; M210-L684 HydrophobicContact CE-CB 4Å; M210-L684 HydrophobicContact SD-CB 3.9Å; M210-L684 HydrophobicContact SD-CD2 4.14Å; R514-L684 PolarHBondContact O-N 3.02Å; V515-L684 CarbonylContact C-O 3.56Å; V515-L684 VanDerWaalsContact CA-O 3.28Å; V515-L684 WeakPolarHBondContact CA-O 3.21Å; R516-L684 PolarHBondContact N-O 3.17Å; R658-L684 HydrophobicContact CG-CD1 4.13Å; D664-L684 WeakPolarHBondContact OD2-CA 3.2Å
685	H	91.5	Very high	76.7	Confident	33 Å²	33	46.1 Å²	46.1	15%	0.153	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	136	168.7	-67.9	70.8	0	0	0	111.3	R516 L518 D664	R516-H685 WeakPolarHBondContact O-CA 3.46Å; L518-H685 HydrophobicContact CD1-CB 4.09Å; L518-H685 HydrophobicContact CD2-CB 3.93Å; L518-H685 HydrophobicContact CG-CB 4.02Å; D664-H685 IonicContact OD1-CG 3.98Å; D664-H685 IonicContact OD1-ND1 2.75Å; D664-H685 IonicContact OD2-CE1 3.6Å; D664-H685 IonicContact OD2-CG 3.23Å; D664-H685 PolarHBondContact OD2-N 3.1Å; D664-H685 IonicContact OD2-ND1 3.5Å; D664-H685 PolarHBondContact OD2-ND1 3.09Å
686	A	90.6	Very high	74.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	151.8	-178	0	0	0	0	0	112.4	V198 M200 L206 V515 R516 L518 G688	V198-A686 HydrophobicContact CG1-CB 3.93Å; M200-A686 HydrophobicContact CE-CB 4.17Å; L206-A686 HydrophobicContact CD1-CB 4.23Å; V515-A686 HydrophobicContact CG1-CB 3.72Å; R516-A686 PolarHBondContact O-N 3Å; L518-A686 WeakPolarHBondContact CB-O 3.32Å; L518-A686 WeakPolarHBondContact CG-O 3.38Å; L518-A686 PolarHBondContact N-O 3.4Å; A686-G688 PolarHBondContact O-N 3.38Å
687	R	89.2	Confident	72.8	Confident	1 Å²	1	50.8 Å²	50.8	0%	0.004	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-63.8	125	-173.3	-62.7	-172.6	-88.5	-171.3	0.7	109.8	V198 Q199 M200 T522 R523 M528 A647 D651 Y666	V198-R687 WeakPolarHBondContact O-CB 3.06Å; V198-R687 WeakPolarHBondContact O-CG 3.23Å; V198-R687 PolarHBondContact O-N 2.92Å; Q199-R687 CarbonylContact C-O 3.59Å; Q199-R687 WeakPolarHBondContact CA-O 3.2Å; Q199-R687 HydrophobicContact CG-CB 4.48Å; M200-R687 PolarHBondContact N-O 3.07Å; T522-R687 VanDerWaalsContact O-CD 3.25Å; T522-R687 WeakPolarHBondContact O-CD 3.27Å; T522-R687 WeakPolarHBondContact OG1-CG 3.41Å; R523-R687 HydrophobicContact CG-CB 4.08Å; M528-R687 PolarHBondContact SD-NH1 3.04Å; A647-R687 PolarHBondContact O-NH2 2.96Å; D651-R687 IonicContact OD1-CZ 3.6Å; D651-R687 IonicContact OD1-NE 2.8Å; D651-R687 IonicContact OD1-NH2 3.84Å; D651-R687 PolarHBondContact OD1-NH2 2.87Å; D651-R687 IonicContact OD2-NH2 2.66Å; D651-R687 PolarHBondContact OD2-NH2 3.11Å; Y666-R687 HydrophobicContact CE1-CG 4.48Å; Y666-R687 HydrophobicContact CE2-CG 4Å; Y666-R687 WeakPolarHBondContact OH-CD 3.48Å; Y666-R687 PolarHBondContact OH-NE 2.89Å
688	G	79.1	Confident	70.6	Confident	4 Å²	4	52.9 Å²	52.9	4%	0.041	31%	0.309	C	S	.	.			trans	-94.3	136.7	-171.3	0	0	0	0	0	112.9	P520 A686	P520-G688 WeakPolarHBondContact CA-O 3.32Å; P520-G688 VanDerWaalsContact CB-O 3.25Å; P520-G688 WeakPolarHBondContact CB-O 3.3Å; A686-G688 PolarHBondContact O-N 3.38Å
689	D	66.3	Low	68.4	Low	36 Å²	36	65 Å²	65	19%	0.193	35%	0.354	C	S	.	.			trans	-98	-7.4	-170.1	-51.6	-68.2	0	0	0	113.4	M200 R523	M200-D689 WeakPolarHBondContact CB-OD2 3.38Å; M200-D689 PolarHBondContact N-OD2 2.7Å; R523-D689 WeakPolarHBondContact CD-OD1 3.46Å; R523-D689 IonicContact CZ-OD1 3.32Å; R523-D689 IonicContact NE-OD1 3.25Å; R523-D689 IonicContact NH1-OD1 3.18Å; R523-D689 PolarHBondContact NH1-OD1 3.01Å
690	R	56.9	Low	66.3	Low	231 Å²	231	67.8 Å²	67.8	87%	0.872	38%	0.377	S	S	*	.			trans	-102.6	103.2	-177.7	-61.6	-177.3	-174	179.3	3	111.2
691	G	50.8	Low	64.4	Low	25 Å²	25	73.1 Å²	73.1	26%	0.258	42%	0.418	S	S	.	.			trans	-76.5	145.3	175.9	0	0	0	0	0	114.2	N693	G691-N693 PolarHBondContact O-N 2.69Å
692	I	53.7	Low	62.7	Low	150 Å²	150	75 Å²	75	77%	0.769	44%	0.438	S	S	*	.	S	Bend	trans	-71.2	-15.7	-174.7	-67.2	171.5	0	0	0	112.9
693	N	48.5	Very low	61.6	Low	107 Å²	107	76.7 Å²	76.7	57%	0.572	45%	0.447	S	S	*	.			trans	-133.4	94.1	-179.5	-50.5	-74.4	0	0	0	111.7	G691 V695	G691-N693 PolarHBondContact O-N 2.69Å; N693-V695 PolarHBondContact O-N 2.68Å
694	P	48.8	Very low	60.4	Low	108 Å²	108	78.9 Å²	78.9	70%	0.701	47%	0.465	S	S	*	.			trans	-69	123.7	159.8	28.6	-32.1	0	0	0	109.2	P696	P694-P696 VanDerWaalsContact O-CD 3.28Å; P694-P696 WeakPolarHBondContact O-CD 3.34Å
695	V	48.2	Very low	59.4	Low	89 Å²	89	80.3 Å²	80.3	54%	0.539	47%	0.471	S	S	.	.			trans	-69.7	118.6	179.6	178.2	0	0	0	0	109.7	N693 G697 A698	N693-V695 PolarHBondContact O-N 2.68Å; V695-G697 PolarHBondContact O-N 3.43Å; V695-A698 HydrophobicContact CB-CB 4.2Å; V695-A698 PolarHBondContact O-N 3.14Å
696	P	41.1	Very low	58.9	Low	135 Å²	135	80.4 Å²	80.4	88%	0.877	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	107.4	-177.1	-23	35.1	0	0	0	112	P694	P694-P696 VanDerWaalsContact O-CD 3.28Å; P694-P696 WeakPolarHBondContact O-CD 3.34Å
697	G	52.1	Low	58.5	Low	73 Å²	73	84.2 Å²	84.2	75%	0.753	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.6	-6.5	177.7	0	0	0	0	0	115.7	V695 R699	V695-G697 PolarHBondContact O-N 3.43Å; G697-R699 PolarHBondContact O-N 3.2Å
698	A	43	Very low	58.2	Low	57 Å²	57	93.8 Å²	93.8	47%	0.471	53%	0.528	S	S	.	.			trans	-65.7	125.2	169.9	0	0	0	0	0	110.2	V695 S700	V695-A698 HydrophobicContact CB-CB 4.2Å; V695-A698 PolarHBondContact O-N 3.14Å; A698-S700 VanDerWaalsContact C-N 3.33Å
699	R	42.6	Very low	58.5	Low	257 Å²	257	98 Å²	98	97%	0.97	55%	0.547	S	S	*	.	S	Bend	trans	-87.2	-1.9	177.7	-71.5	-174.9	174.7	-177.6	-2	113.8	G697	G697-R699 PolarHBondContact O-N 3.2Å
700	S	43.7	Very low	59.4	Low	91 Å²	91	96.4 Å²	96.4	64%	0.636	54%	0.538	S	S	*	.	S	Bend	trans	-114.6	142.9	172.2	47.6	0	0	0	0	109.1	A698 G702	A698-S700 VanDerWaalsContact C-N 3.33Å; S700-G702 PolarHBondContact O-N 3.29Å
701	S	47	Very low	60.8	Low	134 Å²	134	88.8 Å²	88.8	94%	0.937	51%	0.514	S	S	*	.			trans	-77.7	38.8	-179.2	-169.6	0	0	0	0	112.9
702	G	54.4	Low	62.6	Low	44 Å²	44	91.6 Å²	91.6	45%	0.454	52%	0.524	S	S	.	.			trans	-81.5	124.8	-178	0	0	0	0	0	111.8	S700	S700-G702 PolarHBondContact O-N 3.29Å
703	L	62.8	Low	64.1	Low	34 Å²	34	86.4 Å²	86.4	18%	0.178	50%	0.496	C	S	.	.			trans	-79.5	131.1	164.2	-62.1	179.9	0	0	0	108.9	P520 L640 F705	P520-L703 HydrophobicContact CB-CD1 3.52Å; P520-L703 HydrophobicContact CG-CD1 3.73Å; L640-L703 HydrophobicContact CD1-CB 4.26Å; L640-L703 HydrophobicContact CD1-CD1 4.35Å; L640-L703 PolarHBondContact N-O 3.01Å; L640-L703 VanDerWaalsContact N-O 3.12Å; L703-F705 HydrophobicContact CB-CE2 3.83Å; L703-F705 HydrophobicContact CB-CZ 3.89Å; L703-F705 HydrophobicContact CD1-CZ 4.37Å
704	A	66.2	Low	66	Low	46 Å²	46	83.2 Å²	83.2	38%	0.38	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.2	179.1	0	0	0	0	0	110	V638	V638-A704 WeakPolarHBondContact O-CA 3.43Å
705	F	71.2	Confident	67.8	Low	32 Å²	32	83.9 Å²	83.9	14%	0.14	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	158.2	-177.8	-54.2	-86.5	0	0	0	110.1	P520 L521 T637 V638 L640 L703 I710	P520-F705 HydrophobicContact CB-CZ 4.23Å; P520-F705 HydrophobicContact CG-CE1 4.25Å; P520-F705 HydrophobicContact CG-CZ 3.88Å; L521-F705 HydrophobicContact CB-CE1 4.43Å; L521-F705 HydrophobicContact CD1-CB 4.26Å; L521-F705 HydrophobicContact CD1-CD1 4.04Å; L521-F705 HydrophobicContact CD1-CD2 4.01Å; L521-F705 HydrophobicContact CD1-CE1 4.42Å; L521-F705 HydrophobicContact CD1-CE2 4.4Å; L521-F705 HydrophobicContact CD1-CG 3.83Å; T637-F705 CarbonylContact C-O 3.51Å; T637-F705 WeakPolarHBondContact CA-O 3.19Å; V638-F705 PolarHBondContact N-O 3.45Å; V638-F705 PolarHBondContact O-N 3.29Å; L640-F705 HydrophobicContact CB-CE2 4.29Å; L640-F705 HydrophobicContact CD1-CE2 4.11Å; L640-F705 HydrophobicContact CG-CE2 4.45Å; L703-F705 HydrophobicContact CB-CE2 3.83Å; L703-F705 HydrophobicContact CB-CZ 3.89Å; L703-F705 HydrophobicContact CD1-CZ 4.37Å; F705-I710 HydrophobicContact CB-CG1 4.44Å
706	T	81.1	Confident	69.7	Low	34 Å²	34	84.3 Å²	84.3	21%	0.209	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	149.3	170.2	68.4	0	0	0	0	110.6	V635 R708 E709 I710	V635-T706 HydrophobicContact CG1-CG2 3.47Å; V635-T706 VanDerWaalsContact CG1-CG2 3.47Å; T706-R708 PolarHBondContact O-N 3.4Å; T706-R708 VanDerWaalsContact O-N 3.09Å; T706-E709 WeakPolarHBondContact CB-OE2 3.32Å; T706-E709 WeakPolarHBondContact CG2-OE2 3.45Å; T706-E709 PolarHBondContact N-OE2 2.84Å; T706-E709 PolarHBondContact O-N 3.02Å; T706-E709 VanDerWaalsContact O-N 3.07Å; T706-E709 VanDerWaalsContact OG1-CD 3.29Å; T706-E709 WeakPolarHBondContact OG1-CG 3.45Å; T706-E709 PolarHBondContact OG1-N 3.2Å; T706-E709 PolarHBondContact OG1-OE2 3.46Å; T706-I710 PolarHBondContact O-N 3.46Å; T706-I710 VanDerWaalsContact O-N 3.16Å
707	Q	81.4	Confident	71.9	Confident	80 Å²	80	78.5 Å²	78.5	37%	0.374	43%	0.433	S	S	.	.	H	α-helix	trans	-58.7	-24.8	174.5	-169.1	58.9	41	0	0	112.8	N711	Q707-N711 PolarHBondContact NE2-OD1 3.18Å; Q707-N711 WeakPolarHBondContact O-CB 3.41Å; Q707-N711 PolarHBondContact O-N 3.11Å; Q707-N711 PolarHBondContact O-OD1 3.18Å
708	R	84.3	Confident	73.5	Confident	202 Å²	202	76.3 Å²	76.3	76%	0.762	41%	0.407	S	S	*	.	H	α-helix	trans	-67.9	-49.4	173.6	-65.7	-175.5	-177.3	178.5	0.3	111.3	T706 I710 N711 D712	T706-R708 PolarHBondContact O-N 3.4Å; T706-R708 VanDerWaalsContact O-N 3.09Å; R708-I710 VanDerWaalsContact C-N 3.25Å; R708-I710 PolarHBondContact O-N 2.98Å; R708-N711 PolarHBondContact O-N 3.49Å; R708-N711 VanDerWaalsContact O-N 3.14Å; R708-D712 VanDerWaalsContact O-CB 3.27Å; R708-D712 WeakPolarHBondContact O-CB 3.33Å; R708-D712 PolarHBondContact O-N 3.25Å
709	E	84.1	Confident	75.6	Confident	94 Å²	94	78.6 Å²	78.6	44%	0.439	41%	0.411	S	S	.	.	H	α-helix	trans	-59.8	-35.8	176.8	-70.7	157.7	137.8	0	0	112.4	T706 H713	T706-E709 WeakPolarHBondContact CB-OE2 3.32Å; T706-E709 WeakPolarHBondContact CG2-OE2 3.45Å; T706-E709 PolarHBondContact N-OE2 2.84Å; T706-E709 PolarHBondContact O-N 3.02Å; T706-E709 VanDerWaalsContact O-N 3.07Å; T706-E709 VanDerWaalsContact OG1-CD 3.29Å; T706-E709 WeakPolarHBondContact OG1-CG 3.45Å; T706-E709 PolarHBondContact OG1-N 3.2Å; T706-E709 PolarHBondContact OG1-OE2 3.46Å; E709-H713 VanDerWaalsContact O-CB 3.25Å; E709-H713 WeakPolarHBondContact O-CB 3.32Å; E709-H713 PolarHBondContact O-N 2.9Å
710	I	85.1	Confident	77.6	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.01	39%	0.391	C	S	.	.	H	α-helix	trans	-61.3	-56.1	171.6	-66.6	159.9	0	0	0	110.4	L521 V527 V638 F705 T706 R708 D712 H713 L714	L521-I710 HydrophobicContact CD1-CG1 3.76Å; V527-I710 HydrophobicContact CG2-CG2 4.3Å; V638-I710 HydrophobicContact CB-CD1 3.98Å; V638-I710 HydrophobicContact CG1-CD1 4.37Å; V638-I710 HydrophobicContact CG2-CD1 4.04Å; F705-I710 HydrophobicContact CB-CG1 4.44Å; T706-I710 PolarHBondContact O-N 3.46Å; T706-I710 VanDerWaalsContact O-N 3.16Å; R708-I710 VanDerWaalsContact C-N 3.25Å; R708-I710 PolarHBondContact O-N 2.98Å; I710-D712 PolarHBondContact O-N 2.87Å; I710-H713 PolarHBondContact O-N 3.41Å; I710-L714 HydrophobicContact CG2-CD1 3.95Å; I710-L714 VanDerWaalsContact O-CG 3.28Å; I710-L714 WeakPolarHBondContact O-CG 3.2Å; I710-L714 PolarHBondContact O-N 3.02Å
711	N	87.1	Confident	79.6	Confident	70 Å²	70	67.9 Å²	67.9	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-63.1	-41.8	-177.5	-68.5	5.1	0	0	0	112.3	Q707 R708 L714 Q715	Q707-N711 PolarHBondContact NE2-OD1 3.18Å; Q707-N711 WeakPolarHBondContact O-CB 3.41Å; Q707-N711 PolarHBondContact O-N 3.11Å; Q707-N711 PolarHBondContact O-OD1 3.18Å; R708-N711 PolarHBondContact O-N 3.49Å; R708-N711 VanDerWaalsContact O-N 3.14Å; N711-L714 PolarHBondContact O-N 3.05Å; N711-Q715 WeakPolarHBondContact O-CG 3.39Å; N711-Q715 PolarHBondContact O-N 3.1Å
712	D	87.7	Confident	81.2	Confident	84 Å²	84	67.6 Å²	67.6	45%	0.449	34%	0.339	S	S	.	.	H	α-helix	trans	-63.4	-41.4	177.3	-66	-18.9	0	0	0	110.4	R708 I710 N716	R708-D712 VanDerWaalsContact O-CB 3.27Å; R708-D712 WeakPolarHBondContact O-CB 3.33Å; R708-D712 PolarHBondContact O-N 3.25Å; I710-D712 PolarHBondContact O-N 2.87Å; D712-N716 VanDerWaalsContact O-CB 3.27Å; D712-N716 WeakPolarHBondContact O-CB 3.27Å; D712-N716 PolarHBondContact O-N 3.27Å; D712-N716 PolarHBondContact O-ND2 2.69Å
713	H	86.6	Confident	82.3	Confident	41 Å²	41	68.6 Å²	68.6	19%	0.19	34%	0.336	C	S	.	.	H	α-helix	trans	-62.4	-48.9	174.6	-178.5	-83.2	0	0	0	111.5	L521 E709 I710 Q715 N716 F717	L521-H713 HydrophobicContact CD2-CB 3.49Å; L521-H713 VanDerWaalsContact CD2-CB 3.49Å; L521-H713 HydrophobicContact CG-CB 4.39Å; E709-H713 VanDerWaalsContact O-CB 3.25Å; E709-H713 WeakPolarHBondContact O-CB 3.32Å; E709-H713 PolarHBondContact O-N 2.9Å; I710-H713 PolarHBondContact O-N 3.41Å; H713-Q715 PolarHBondContact O-N 3.42Å; H713-N716 PolarHBondContact O-N 3.01Å; H713-F717 WeakPolarHBondContact O-CB 3.41Å; H713-F717 PolarHBondContact O-N 3.39Å
714	L	88.2	Confident	82.9	Confident	40 Å²	40	69 Å²	69	21%	0.209	34%	0.338	C	S	.	.	H	α-helix	trans	-56.7	-48.8	179	-68.3	168.9	0	0	0	111.6	V527 Q530 I710 N711 A718	V527-L714 HydrophobicContact CB-CD2 4.34Å; V527-L714 HydrophobicContact CG1-CD2 4.2Å; V527-L714 HydrophobicContact CG2-CD2 4.16Å; Q530-L714 HydrophobicContact CB-CD2 3.79Å; Q530-L714 HydrophobicContact CG-CD2 3.9Å; I710-L714 HydrophobicContact CG2-CD1 3.95Å; I710-L714 VanDerWaalsContact O-CG 3.28Å; I710-L714 WeakPolarHBondContact O-CG 3.2Å; I710-L714 PolarHBondContact O-N 3.02Å; N711-L714 PolarHBondContact O-N 3.05Å; L714-A718 VanDerWaalsContact O-CB 3.24Å; L714-A718 WeakPolarHBondContact O-CB 3.34Å; L714-A718 PolarHBondContact O-N 3.18Å
715	Q	86.6	Confident	83.3	Confident	122 Å²	122	67.7 Å²	67.7	57%	0.57	32%	0.324	S	S	*	.	H	α-helix	trans	-65.5	-48.1	178.8	-69.7	-177.1	10.4	0	0	112.2	N711 H713 F717 A718 L719	N711-Q715 WeakPolarHBondContact O-CG 3.39Å; N711-Q715 PolarHBondContact O-N 3.1Å; H713-Q715 PolarHBondContact O-N 3.42Å; Q715-F717 VanDerWaalsContact C-N 3.32Å; Q715-F717 PolarHBondContact O-N 3.06Å; Q715-A718 PolarHBondContact O-N 3Å; Q715-L719 WeakPolarHBondContact O-CB 3.42Å; Q715-L719 VanDerWaalsContact O-CG 3.24Å; Q715-L719 WeakPolarHBondContact O-CG 3.44Å; Q715-L719 PolarHBondContact O-N 3.21Å
716	N	87.6	Confident	83.1	Confident	98 Å²	98	70.5 Å²	70.5	52%	0.524	34%	0.338	S	S	.	.	H	α-helix	trans	-65.7	-33.8	-179.4	-77.9	-68.6	0	0	0	112.6	D712 H713 K720	D712-N716 VanDerWaalsContact O-CB 3.27Å; D712-N716 WeakPolarHBondContact O-CB 3.27Å; D712-N716 PolarHBondContact O-N 3.27Å; D712-N716 PolarHBondContact O-ND2 2.69Å; H713-N716 PolarHBondContact O-N 3.01Å; N716-K720 WeakPolarHBondContact O-CG 3.28Å; N716-K720 PolarHBondContact O-N 3.5Å
717	F	87.3	Confident	82.4	Confident	14 Å²	14	73.9 Å²	73.9	6%	0.061	36%	0.358	C	S	.	.	H	α-helix	trans	-76.2	-43.6	178.3	-168.9	-115.4	0	0	0	111.9	D531 Y665 Y666 H713 Q715 L719 K720 L721	D531-F717 WeakPolarHBondContact OD1-CD1 3.45Å; D531-F717 WeakPolarHBondContact OD1-CE1 3.49Å; Y665-F717 HydrophobicContact CD1-CZ 4.15Å; Y665-F717 AromaticContact CE1-CE1 3.65Å; Y665-F717 HydrophobicContact CE1-CE1 3.65Å; Y665-F717 AromaticContact CE1-CZ 3.73Å; Y665-F717 HydrophobicContact CE1-CZ 3.73Å; Y665-F717 AromaticContact CZ-CE1 3.72Å; Y665-F717 WeakPolarHBondContact O-CZ 3.24Å; Y665-F717 WeakPolarHBondContact OH-CE1 3.46Å; Y666-F717 HydrophobicContact CD1-CZ 4.23Å; H713-F717 WeakPolarHBondContact O-CB 3.41Å; H713-F717 PolarHBondContact O-N 3.39Å; Q715-F717 VanDerWaalsContact C-N 3.32Å; Q715-F717 PolarHBondContact O-N 3.06Å; F717-L719 VanDerWaalsContact C-N 3.31Å; F717-L719 PolarHBondContact O-N 2.95Å; F717-K720 WeakPolarHBondContact O-CB 3.14Å; F717-K720 PolarHBondContact O-N 3.39Å; F717-K720 VanDerWaalsContact O-N 3.14Å; F717-L721 HydrophobicContact CD1-CD1 4.09Å; F717-L721 HydrophobicContact CE1-CD1 3.49Å; F717-L721 VanDerWaalsContact CE1-CD1 3.49Å; F717-L721 HydrophobicContact CE1-CG 4.19Å; F717-L721 HydrophobicContact CE2-CG 4.47Å; F717-L721 HydrophobicContact CZ-CD1 3.76Å; F717-L721 HydrophobicContact CZ-CD2 4.38Å; F717-L721 HydrophobicContact CZ-CG 4.12Å; F717-L721 PolarHBondContact O-N 3.44Å
718	A	86.3	Confident	81.6	Confident	26 Å²	26	72.4 Å²	72.4	22%	0.215	36%	0.356	C	S	.	.	H	α-helix	trans	-58.6	-41.2	171.9	0	0	0	0	0	111.9	L534 L714 Q715 K720 L721 R722	L534-A718 HydrophobicContact CD1-CB 4.39Å; L714-A718 VanDerWaalsContact O-CB 3.24Å; L714-A718 WeakPolarHBondContact O-CB 3.34Å; L714-A718 PolarHBondContact O-N 3.18Å; Q715-A718 PolarHBondContact O-N 3Å; A718-K720 VanDerWaalsContact C-N 3.34Å; A718-K720 PolarHBondContact O-N 2.85Å; A718-L721 PolarHBondContact O-N 2.98Å; A718-R722 VanDerWaalsContact O-CB 3.26Å; A718-R722 WeakPolarHBondContact O-CB 3.37Å; A718-R722 PolarHBondContact O-N 2.92Å
719	L	86.1	Confident	80.8	Confident	106 Å²	106	71.9 Å²	71.9	56%	0.555	36%	0.359	S	S	*	.	H	α-helix	trans	-63.7	-33.9	175.7	-75.6	170.7	0	0	0	113.5	Q715 F717	Q715-L719 WeakPolarHBondContact O-CB 3.42Å; Q715-L719 VanDerWaalsContact O-CG 3.24Å; Q715-L719 WeakPolarHBondContact O-CG 3.44Å; Q715-L719 PolarHBondContact O-N 3.21Å; F717-L719 VanDerWaalsContact C-N 3.31Å; F717-L719 PolarHBondContact O-N 2.95Å
720	K	85.7	Confident	80.3	Confident	123 Å²	123	73 Å²	73	54%	0.535	37%	0.368	S	S	.	.	H	α-helix	trans	-66.4	-55.7	172.2	-72.1	170.5	-179.5	-176.6	0	110.8	N716 F717 A718 R722 T723	N716-K720 WeakPolarHBondContact O-CG 3.28Å; N716-K720 PolarHBondContact O-N 3.5Å; F717-K720 WeakPolarHBondContact O-CB 3.14Å; F717-K720 PolarHBondContact O-N 3.39Å; F717-K720 VanDerWaalsContact O-N 3.14Å; A718-K720 VanDerWaalsContact C-N 3.34Å; A718-K720 PolarHBondContact O-N 2.85Å; K720-R722 PolarHBondContact O-N 2.77Å; K720-T723 PolarHBondContact O-N 3.18Å; K720-T723 VanDerWaalsContact O-N 3.08Å; K720-T723 PolarHBondContact O-OG1 3.37Å
721	L	85.6	Confident	79.9	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-63	-29.4	-178.1	-66.7	-175	0	0	0	112.6	L534 L538 Y665 F717 A718 T723 L724 I725	L534-L721 HydrophobicContact CB-CD1 4.09Å; L534-L721 HydrophobicContact CD1-CD1 4.22Å; L538-L721 HydrophobicContact CD1-CD1 4.14Å; L538-L721 HydrophobicContact CD1-CD2 4.24Å; Y665-L721 HydrophobicContact CD2-CD1 4.41Å; Y665-L721 HydrophobicContact CE2-CD1 3.69Å; F717-L721 HydrophobicContact CD1-CD1 4.09Å; F717-L721 HydrophobicContact CE1-CD1 3.49Å; F717-L721 VanDerWaalsContact CE1-CD1 3.49Å; F717-L721 HydrophobicContact CE1-CG 4.19Å; F717-L721 HydrophobicContact CE2-CG 4.47Å; F717-L721 HydrophobicContact CZ-CD1 3.76Å; F717-L721 HydrophobicContact CZ-CD2 4.38Å; F717-L721 HydrophobicContact CZ-CG 4.12Å; F717-L721 PolarHBondContact O-N 3.44Å; A718-L721 PolarHBondContact O-N 2.98Å; L721-T723 PolarHBondContact O-N 3.22Å; L721-T723 VanDerWaalsContact O-N 3.15Å; L721-L724 HydrophobicContact CD2-CD1 4.08Å; L721-L724 WeakPolarHBondContact O-CA 3.33Å; L721-L724 WeakPolarHBondContact O-CB 2.94Å; L721-L724 PolarHBondContact O-N 3.12Å; L721-I725 HydrophobicContact CB-CD1 4.04Å; L721-I725 WeakPolarHBondContact O-CG1 3.45Å; L721-I725 PolarHBondContact O-N 3.19Å
722	R	80.4	Confident	79.6	Confident	128 Å²	128	74.6 Å²	74.6	48%	0.483	38%	0.379	S	S	.	.	H	α-helix	trans	-51	-36.7	172.2	-173.4	174.5	-175.6	141.4	17.3	112.6	A718 K720 L724 I725 E726	A718-R722 VanDerWaalsContact O-CB 3.26Å; A718-R722 WeakPolarHBondContact O-CB 3.37Å; A718-R722 PolarHBondContact O-N 2.92Å; K720-R722 PolarHBondContact O-N 2.77Å; R722-L724 PolarHBondContact O-N 2.78Å; R722-I725 PolarHBondContact O-N 3.15Å; R722-E726 HydrophobicContact CG-CG 4.01Å; R722-E726 VanDerWaalsContact CG-OE2 3.27Å; R722-E726 WeakPolarHBondContact CG-OE2 3.45Å; R722-E726 IonicContact CZ-OE1 3.44Å; R722-E726 IonicContact CZ-OE2 2.98Å; R722-E726 IonicContact NE-OE1 3.02Å; R722-E726 PolarHBondContact NE-OE1 3.4Å; R722-E726 IonicContact NE-OE2 2.85Å; R722-E726 PolarHBondContact NE-OE2 3.42Å; R722-E726 IonicContact NH2-OE1 2.97Å; R722-E726 PolarHBondContact NH2-OE1 3.27Å; R722-E726 IonicContact NH2-OE2 3.25Å; R722-E726 WeakPolarHBondContact O-CB 3.31Å; R722-E726 PolarHBondContact O-N 2.83Å
723	T	77.1	Confident	79.3	Confident	65 Å²	65	76.2 Å²	76.2	40%	0.399	38%	0.384	S	S	.	.	H	α-helix	trans	-69.1	-13.6	178.7	69.8	0	0	0	0	114.8	K720 L721	K720-T723 PolarHBondContact O-N 3.18Å; K720-T723 VanDerWaalsContact O-N 3.08Å; K720-T723 PolarHBondContact O-OG1 3.37Å; L721-T723 PolarHBondContact O-N 3.22Å; L721-T723 VanDerWaalsContact O-N 3.15Å
724	L	76.4	Confident	79	Confident	41 Å²	41	80.7 Å²	80.7	22%	0.215	41%	0.405	C	S	.	.	H	α-helix	trans	-102.1	-37.8	174.5	-48.9	177.3	0	0	0	111.5	L538 M663 I670 L721 R722	L538-L724 HydrophobicContact CD2-CB 4.33Å; M663-L724 HydrophobicContact CE-CD1 4.06Å; I670-L724 HydrophobicContact CD1-CD2 4.15Å; I670-L724 HydrophobicContact CG1-CD2 4.38Å; L721-L724 HydrophobicContact CD2-CD1 4.08Å; L721-L724 WeakPolarHBondContact O-CA 3.33Å; L721-L724 WeakPolarHBondContact O-CB 2.94Å; L721-L724 PolarHBondContact O-N 3.12Å; R722-L724 PolarHBondContact O-N 2.78Å
725	I	72.6	Confident	78.7	Confident	19 Å²	19	82.9 Å²	82.9	10%	0.097	41%	0.414	C	S	.	.	H	α-helix	trans	-70.6	-40.2	179.2	-67.8	168.3	0	0	0	111.3	L534 L538 R541 L721 R722 V727	L534-I725 HydrophobicContact CD2-CD1 4.04Å; L538-I725 HydrophobicContact CD2-CD1 4.36Å; L538-I725 HydrophobicContact CD2-CG1 3.5Å; L538-I725 HydrophobicContact CG-CD1 4.2Å; L538-I725 HydrophobicContact CG-CG1 3.83Å; R541-I725 PolarHBondContact NH1-O 3.19Å; L721-I725 HydrophobicContact CB-CD1 4.04Å; L721-I725 WeakPolarHBondContact O-CG1 3.45Å; L721-I725 PolarHBondContact O-N 3.19Å; R722-I725 PolarHBondContact O-N 3.15Å; I725-V727 PolarHBondContact O-N 2.97Å
726	E	68.3	Low	78.5	Confident	91 Å²	91	77.5 Å²	77.5	43%	0.425	39%	0.389	S	S	.	.	S	Bend	trans	-92.8	81.5	175.1	-64.5	-175	150.1	0	0	110	R722 P728	R722-E726 HydrophobicContact CG-CG 4.01Å; R722-E726 VanDerWaalsContact CG-OE2 3.27Å; R722-E726 WeakPolarHBondContact CG-OE2 3.45Å; R722-E726 IonicContact CZ-OE1 3.44Å; R722-E726 IonicContact CZ-OE2 2.98Å; R722-E726 IonicContact NE-OE1 3.02Å; R722-E726 PolarHBondContact NE-OE1 3.4Å; R722-E726 IonicContact NE-OE2 2.85Å; R722-E726 PolarHBondContact NE-OE2 3.42Å; R722-E726 IonicContact NH2-OE1 2.97Å; R722-E726 PolarHBondContact NH2-OE1 3.27Å; R722-E726 IonicContact NH2-OE2 3.25Å; R722-E726 WeakPolarHBondContact O-CB 3.31Å; R722-E726 PolarHBondContact O-N 2.83Å; E726-P728 WeakPolarHBondContact O-CD 3.31Å
727	V	66	Low	78.3	Confident	105 Å²	105	78.2 Å²	78.2	64%	0.636	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-58.7	122.4	166	-178.5	0	0	0	0	108.2	I725 K729	I725-V727 PolarHBondContact O-N 2.97Å; V727-K729 PolarHBondContact O-N 3.26Å
728	P	65	Low	78	Confident	49 Å²	49	83.1 Å²	83.1	32%	0.318	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-56.4	128.2	173.9	-26	36.2	0	0	0	110	E726 P815	E726-P728 WeakPolarHBondContact O-CD 3.31Å; P728-P815 HydrophobicContact CB-CB 4.36Å; P728-P815 HydrophobicContact CB-CG 3.57Å
729	K	66.5	Low	77.7	Confident	191 Å²	191	83 Å²	83	83%	0.83	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-64.8	140.1	180	-62.2	-178.8	-178.5	179.8	0	109.9	V727	V727-K729 PolarHBondContact O-N 3.26Å
730	D	74.6	Confident	77.4	Confident	118 Å²	118	78.3 Å²	78.3	63%	0.631	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-51.1	139.6	168.4	-71.1	7.2	0	0	0	109.7	T732	D730-T732 PolarHBondContact O-N 3.35Å
731	L	76.3	Confident	77.4	Confident	31 Å²	31	74.7 Å²	74.7	16%	0.162	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-58.3	136.2	-178.9	-110.5	69.9	0	0	0	111.5	E735 M736 L739 K813 P815	L731-E735 HydrophobicContact CB-CB 4.4Å; L731-E735 HydrophobicContact CD2-CB 3.85Å; L731-E735 HydrophobicContact CG-CB 3.89Å; L731-M736 HydrophobicContact CB-CG 4.16Å; L731-L739 HydrophobicContact CD2-CD1 3.53Å; L731-K813 PolarHBondContact N-O 3.47Å; L731-P815 HydrophobicContact CD1-CB 3.91Å
732	T	80.6	Confident	77.5	Confident	74 Å²	74	76.9 Å²	76.9	45%	0.454	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-65.7	157.3	177	64.7	0	0	0	0	111	D730 E734 E735 M736	D730-T732 PolarHBondContact O-N 3.35Å; T732-E734 PolarHBondContact O-N 2.81Å; T732-E734 VanDerWaalsContact O-N 3.17Å; T732-E735 WeakPolarHBondContact CB-OE2 3.28Å; T732-E735 WeakPolarHBondContact CG2-OE2 3.49Å; T732-E735 PolarHBondContact N-OE2 3.43Å; T732-E735 PolarHBondContact O-N 3.04Å; T732-E735 VanDerWaalsContact O-N 3.07Å; T732-E735 VanDerWaalsContact OG1-CD 3.29Å; T732-E735 WeakPolarHBondContact OG1-CG 3.42Å; T732-E735 PolarHBondContact OG1-N 3.41Å; T732-E735 PolarHBondContact OG1-OE2 3.14Å; T732-M736 PolarHBondContact O-N 3.05Å
733	E	80.6	Confident	77.8	Confident	118 Å²	118	74.9 Å²	74.9	55%	0.551	37%	0.374	S	S	*	.	H	α-helix	trans	-59.3	-29.6	178	-65.7	-165.9	-177	0	0	113.5	M736 K737	E733-M736 HydrophobicContact CB-CE 4.32Å; E733-M736 HydrophobicContact CG-CE 3.94Å; E733-K737 VanDerWaalsContact O-CB 3.32Å; E733-K737 WeakPolarHBondContact O-CB 3.3Å; E733-K737 WeakPolarHBondContact O-CD 3.4Å; E733-K737 WeakPolarHBondContact O-CG 3.42Å; E733-K737 PolarHBondContact O-N 3.32Å; E733-K737 IonicContact OE2-NZ 2.77Å; E733-K737 PolarHBondContact OE2-NZ 3.24Å
734	E	81.6	Confident	78.4	Confident	135 Å²	135	74.3 Å²	74.3	63%	0.631	37%	0.372	S	S	*	.	H	α-helix	trans	-68.3	-38.7	176.3	-61.5	-171.6	-174	0	0	112.1	T732 K737 K738	T732-E734 PolarHBondContact O-N 2.81Å; T732-E734 VanDerWaalsContact O-N 3.17Å; E734-K737 PolarHBondContact O-N 3.35Å; E734-K738 WeakPolarHBondContact O-CG 3.29Å; E734-K738 PolarHBondContact O-N 3.18Å; E734-K738 VanDerWaalsContact O-N 3.14Å
735	E	81.7	Confident	79	Confident	86 Å²	86	79.2 Å²	79.2	40%	0.402	39%	0.394	S	S	.	.	H	α-helix	trans	-72	-40.8	175.9	-66.3	164.2	127.2	0	0	111.1	L731 T732 K737 K738 L739	L731-E735 HydrophobicContact CB-CB 4.4Å; L731-E735 HydrophobicContact CD2-CB 3.85Å; L731-E735 HydrophobicContact CG-CB 3.89Å; T732-E735 WeakPolarHBondContact CB-OE2 3.28Å; T732-E735 WeakPolarHBondContact CG2-OE2 3.49Å; T732-E735 PolarHBondContact N-OE2 3.43Å; T732-E735 PolarHBondContact O-N 3.04Å; T732-E735 VanDerWaalsContact O-N 3.07Å; T732-E735 VanDerWaalsContact OG1-CD 3.29Å; T732-E735 WeakPolarHBondContact OG1-CG 3.42Å; T732-E735 PolarHBondContact OG1-N 3.41Å; T732-E735 PolarHBondContact OG1-OE2 3.14Å; E735-K737 VanDerWaalsContact C-N 3.34Å; E735-K737 PolarHBondContact O-N 3.33Å; E735-K738 PolarHBondContact O-N 2.95Å; E735-L739 PolarHBondContact O-N 3.48Å
736	M	82	Confident	79.8	Confident	10 Å²	10	83.8 Å²	83.8	5%	0.049	41%	0.413	C	S	.	.	H	α-helix	trans	-59.7	-43	171	-69.8	-165.6	-74.8	0	0	111.7	L731 T732 E733 K738 L739 G740 M741 L812 K813	L731-M736 HydrophobicContact CB-CG 4.16Å; T732-M736 PolarHBondContact O-N 3.05Å; E733-M736 HydrophobicContact CB-CE 4.32Å; E733-M736 HydrophobicContact CG-CE 3.94Å; M736-K738 VanDerWaalsContact C-N 3.34Å; M736-K738 PolarHBondContact O-N 2.58Å; M736-L739 CarbonylContact O-C 3.52Å; M736-L739 PolarHBondContact O-N 2.82Å; M736-G740 PolarHBondContact O-N 2.94Å; M736-M741 HydrophobicContact CB-CB 4.12Å; M736-M741 HydrophobicContact CB-CG 4.29Å; M736-M741 HydrophobicContact CB-SD 4.11Å; M736-M741 HydrophobicContact CE-SD 4.27Å; M736-M741 WeakPolarHBondContact O-CB 3.22Å; M736-M741 PolarHBondContact O-N 3.46Å; M736-L812 HydrophobicContact CG-CB 4.37Å; M736-K813 HydrophobicContact CE-CG 4.13Å; M736-K813 HydrophobicContact SD-CB 4.42Å; M736-K813 HydrophobicContact SD-CD 4.37Å; M736-K813 HydrophobicContact SD-CG 3.36Å; M736-K813 WeakPolarHBondContact SD-CG 3.12Å
737	K	84.1	Confident	80.8	Confident	113 Å²	113	79.8 Å²	79.8	49%	0.491	40%	0.396	S	S	.	.	H	α-helix	trans	-60.2	-41.6	177	-75.7	158.4	-164.7	161.5	0	111.3	E733 E734 E735 G740 M741	E733-K737 VanDerWaalsContact O-CB 3.32Å; E733-K737 WeakPolarHBondContact O-CB 3.3Å; E733-K737 WeakPolarHBondContact O-CD 3.4Å; E733-K737 WeakPolarHBondContact O-CG 3.42Å; E733-K737 PolarHBondContact O-N 3.32Å; E733-K737 IonicContact OE2-NZ 2.77Å; E733-K737 PolarHBondContact OE2-NZ 3.24Å; E734-K737 PolarHBondContact O-N 3.35Å; E735-K737 VanDerWaalsContact C-N 3.34Å; E735-K737 PolarHBondContact O-N 3.33Å; K737-G740 PolarHBondContact O-N 2.96Å; K737-G740 VanDerWaalsContact O-N 3.1Å; K737-M741 HydrophobicContact CD-CE 4.38Å; K737-M741 HydrophobicContact CG-CB 4.43Å; K737-M741 HydrophobicContact CG-CE 3.91Å; K737-M741 HydrophobicContact CG-SD 4.36Å
738	K	81.4	Confident	81.9	Confident	117 Å²	117	75 Å²	75	51%	0.509	37%	0.367	S	S	.	.	H	α-helix	trans	-63	-40.7	172.9	-67.7	164.4	-169.4	166	0	112.8	E734 E735 M736 G740	E734-K738 WeakPolarHBondContact O-CG 3.29Å; E734-K738 PolarHBondContact O-N 3.18Å; E734-K738 VanDerWaalsContact O-N 3.14Å; E735-K738 PolarHBondContact O-N 2.95Å; M736-K738 VanDerWaalsContact C-N 3.34Å; M736-K738 PolarHBondContact O-N 2.58Å; K738-G740 PolarHBondContact O-N 2.72Å
739	L	78.6	Confident	83.1	Confident	24 Å²	24	77.6 Å²	77.6	13%	0.126	38%	0.375	C	S	.	.	H	α-helix	trans	-75.4	-2.3	173.9	-64.5	179.7	0	0	0	114.1	M140 L731 E735 M736 L812	M140-L739 HydrophobicContact CB-CD2 4.32Å; L731-L739 HydrophobicContact CD2-CD1 3.53Å; E735-L739 PolarHBondContact O-N 3.48Å; M736-L739 CarbonylContact O-C 3.52Å; M736-L739 PolarHBondContact O-N 2.82Å; L739-L812 HydrophobicContact CB-CD1 4.15Å; L739-L812 HydrophobicContact CB-CD2 3.89Å; L739-L812 HydrophobicContact CD1-CD2 4.26Å
740	G	81.2	Confident	84.2	Confident	7 Å²	7	73.6 Å²	73.6	7%	0.072	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	39.7	173.8	0	0	0	0	0	115.6	M736 K737 K738 R742	M736-G740 PolarHBondContact O-N 2.94Å; K737-G740 PolarHBondContact O-N 2.96Å; K737-G740 VanDerWaalsContact O-N 3.1Å; K738-G740 PolarHBondContact O-N 2.72Å; G740-R742 PolarHBondContact O-N 3.15Å
741	M	84.8	Confident	85	Confident	46 Å²	46	70.1 Å²	70.1	23%	0.227	34%	0.338	C	S	.	.			trans	-37.8	133.2	167.6	-164.7	178.9	80.3	0	0	112	M736 K737 N809	M736-M741 HydrophobicContact CB-CB 4.12Å; M736-M741 HydrophobicContact CB-CG 4.29Å; M736-M741 HydrophobicContact CB-SD 4.11Å; M736-M741 HydrophobicContact CE-SD 4.27Å; M736-M741 WeakPolarHBondContact O-CB 3.22Å; M736-M741 PolarHBondContact O-N 3.46Å; K737-M741 HydrophobicContact CD-CE 4.38Å; K737-M741 HydrophobicContact CG-CB 4.43Å; K737-M741 HydrophobicContact CG-CE 3.91Å; K737-M741 HydrophobicContact CG-SD 4.36Å; M741-N809 WeakPolarHBondContact CG-OD1 3.36Å
742	R	87.3	Confident	85.7	Confident	47 Å²	47	68.7 Å²	68.7	18%	0.177	33%	0.331	C	S	.	.			trans	-104.8	126.4	-176.5	-69.4	176.5	175	-172.8	-5.4	110.3	E145 E149 G740 N804 A805 Y808 N809	E145-R742 IonicContact OE1-CZ 3.88Å; E145-R742 IonicContact OE1-NE 3.34Å; E145-R742 PolarHBondContact OE1-NE 2.66Å; E145-R742 IonicContact OE1-NH2 3.54Å; E145-R742 PolarHBondContact OE1-NH2 2.86Å; E149-R742 IonicContact OE1-CZ 3.66Å; E149-R742 IonicContact OE1-NH1 3.76Å; E149-R742 IonicContact OE1-NH2 3.58Å; E149-R742 PolarHBondContact OE1-NH2 3.21Å; G740-R742 PolarHBondContact O-N 3.15Å; R742-N804 WeakPolarHBondContact CD-O 3.34Å; R742-N804 PolarHBondContact NH1-O 3.36Å; R742-A805 HydrophobicContact CB-CB 4.2Å; R742-Y808 HydrophobicContact CB-CD1 4.39Å; R742-Y808 HydrophobicContact CG-CD1 3.74Å; R742-Y808 HydrophobicContact CG-CE1 4.18Å; R742-N809 PolarHBondContact N-OD1 2.88Å; R742-N809 PolarHBondContact O-ND2 3.15Å
743	D	87.9	Confident	86.2	Confident	86 Å²	86	70.6 Å²	70.6	46%	0.46	34%	0.335	S	S	.	.			trans	-74.9	130.2	-179.7	-55	-58.7	0	0	0	111.4	E745 K746 A747	D743-E745 VanDerWaalsContact C-N 3.3Å; D743-E745 PolarHBondContact O-N 3.43Å; D743-K746 HydrophobicContact CB-CB 3.99Å; D743-K746 PolarHBondContact O-N 3.49Å; D743-A747 WeakPolarHBondContact O-CB 3.29Å; D743-A747 PolarHBondContact O-N 2.87Å
744	P	88.3	Confident	86.7	Confident	53 Å²	53	68.3 Å²	68.3	34%	0.344	34%	0.336	S	S	.	.	H	α-helix	trans	-69.6	-26.6	-175	28.2	-35.3	0	0	0	113	A748 K801 A805	P744-A748 PolarHBondContact O-N 3.41Å; P744-K801 WeakPolarHBondContact O-CG 3.08Å; P744-A805 HydrophobicContact CB-CB 4.13Å
745	E	89	Confident	87.2	Confident	144 Å²	144	62.6 Å²	62.6	67%	0.673	31%	0.31	S	S	*	.	H	α-helix	trans	-74.6	-46.5	176.2	-56	-160.8	134.7	0	0	110.9	D743 A747 A748 E749	D743-E745 VanDerWaalsContact C-N 3.3Å; D743-E745 PolarHBondContact O-N 3.43Å; E745-A747 VanDerWaalsContact C-N 3.33Å; E745-A747 PolarHBondContact O-N 3.19Å; E745-A748 WeakPolarHBondContact O-CA 3.39Å; E745-A748 WeakPolarHBondContact O-CB 3.24Å; E745-A748 PolarHBondContact O-N 3.03Å; E745-E749 PolarHBondContact O-N 2.88Å
746	K	90.3	Very high	87.7	Confident	114 Å²	114	59.7 Å²	59.7	50%	0.496	30%	0.297	S	S	.	.	H	α-helix	trans	-59	-42.2	175.2	-170.7	172.3	-177.8	-83	0	112.3	D743 A748 E749 E750	D743-K746 HydrophobicContact CB-CB 3.99Å; D743-K746 PolarHBondContact O-N 3.49Å; K746-A748 VanDerWaalsContact C-N 3.26Å; K746-A748 PolarHBondContact O-N 3.37Å; K746-E749 PolarHBondContact O-N 3.47Å; K746-E749 VanDerWaalsContact O-N 3.16Å; K746-E750 IonicContact NZ-OE1 3.93Å; K746-E750 PolarHBondContact NZ-OE1 3.48Å; K746-E750 WeakPolarHBondContact O-CB 3.45Å; K746-E750 WeakPolarHBondContact O-CG 3.27Å; K746-E750 PolarHBondContact O-N 3.25Å
747	A	88.4	Confident	88	Confident	8 Å²	8	62.8 Å²	62.8	7%	0.066	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-31.8	174.8	0	0	0	0	0	113.1	D743 E745 F751 N804 A805	D743-A747 WeakPolarHBondContact O-CB 3.29Å; D743-A747 PolarHBondContact O-N 2.87Å; E745-A747 VanDerWaalsContact C-N 3.33Å; E745-A747 PolarHBondContact O-N 3.19Å; A747-F751 WeakPolarHBondContact O-CB 3.47Å; A747-F751 PolarHBondContact O-N 2.72Å; A747-F751 VanDerWaalsContact O-N 3.13Å; A747-N804 HydrophobicContact CB-CB 4.23Å; A747-A805 HydrophobicContact CB-CB 3.95Å
748	A	89.3	Confident	88.2	Confident	5 Å²	5	63.8 Å²	63.8	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-74.2	-38.2	172.3	0	0	0	0	0	112.6	P744 E745 K746 F751 V752 V797 K801	P744-A748 PolarHBondContact O-N 3.41Å; E745-A748 WeakPolarHBondContact O-CA 3.39Å; E745-A748 WeakPolarHBondContact O-CB 3.24Å; E745-A748 PolarHBondContact O-N 3.03Å; K746-A748 VanDerWaalsContact C-N 3.26Å; K746-A748 PolarHBondContact O-N 3.37Å; A748-F751 PolarHBondContact O-N 3.29Å; A748-V752 WeakPolarHBondContact O-CB 3.29Å; A748-V752 VanDerWaalsContact O-CG2 3.26Å; A748-V752 WeakPolarHBondContact O-CG2 3.25Å; A748-V752 PolarHBondContact O-N 2.89Å; A748-V797 HydrophobicContact CB-CG1 3.65Å; A748-K801 HydrophobicContact CB-CD 4.28Å; A748-K801 VanDerWaalsContact CB-CE 3.45Å; A748-K801 HydrophobicContact CB-CG 3.83Å
749	E	90.4	Very high	88.3	Confident	103 Å²	103	63.3 Å²	63.3	48%	0.481	31%	0.31	S	S	.	.	H	α-helix	trans	-65.3	-45.7	174.7	-66.2	-158.9	119.4	0	0	111.8	E745 K746 F751 V752 E753 R786	E745-E749 PolarHBondContact O-N 2.88Å; K746-E749 PolarHBondContact O-N 3.47Å; K746-E749 VanDerWaalsContact O-N 3.16Å; E749-F751 VanDerWaalsContact C-N 3.33Å; E749-F751 PolarHBondContact O-N 3.47Å; E749-V752 WeakPolarHBondContact O-CB 3.46Å; E749-V752 PolarHBondContact O-N 3.4Å; E749-V752 VanDerWaalsContact O-N 3.14Å; E749-E753 WeakPolarHBondContact O-CG 3.44Å; E749-E753 PolarHBondContact O-N 2.89Å; E749-R786 IonicContact OE1-NH1 3.98Å
750	E	90.9	Very high	88.4	Confident	106 Å²	106	66.2 Å²	66.2	50%	0.495	33%	0.329	S	S	.	.	H	α-helix	trans	-58.7	-42.5	174.3	-72.3	172.7	-177.4	0	0	111.6	K746 E753 A754	K746-E750 IonicContact NZ-OE1 3.93Å; K746-E750 PolarHBondContact NZ-OE1 3.48Å; K746-E750 WeakPolarHBondContact O-CB 3.45Å; K746-E750 WeakPolarHBondContact O-CG 3.27Å; K746-E750 PolarHBondContact O-N 3.25Å; E750-E753 PolarHBondContact O-N 2.76Å; E750-A754 WeakPolarHBondContact O-CB 3.42Å; E750-A754 PolarHBondContact O-N 3.45Å
751	F	91	Very high	87.8	Confident	45 Å²	45	67.6 Å²	67.6	20%	0.197	34%	0.344	C	S	.	.	H	α-helix	trans	-64.6	-41.9	173.6	177.2	-98	0	0	0	112.8	A747 A748 E749 N755 L774 K796 V797 A800	A747-F751 WeakPolarHBondContact O-CB 3.47Å; A747-F751 PolarHBondContact O-N 2.72Å; A747-F751 VanDerWaalsContact O-N 3.13Å; A748-F751 PolarHBondContact O-N 3.29Å; E749-F751 VanDerWaalsContact C-N 3.33Å; E749-F751 PolarHBondContact O-N 3.47Å; F751-N755 WeakPolarHBondContact CE2-ND2 3.44Å; F751-N755 WeakPolarHBondContact CZ-ND2 3.22Å; F751-N755 PolarHBondContact O-N 3.28Å; F751-N755 PolarHBondContact O-ND2 2.82Å; F751-L774 HydrophobicContact CE1-CD1 4.17Å; F751-L774 HydrophobicContact CZ-CD1 4.1Å; F751-L774 HydrophobicContact CZ-CD2 4.47Å; F751-K796 HydrophobicContact CE1-CB 4.21Å; F751-K796 HydrophobicContact CZ-CB 4.04Å; F751-V797 HydrophobicContact CD1-CG2 4.14Å; F751-V797 HydrophobicContact CE1-CG2 4.11Å; F751-A800 HydrophobicContact CB-CB 3.8Å; F751-A800 HydrophobicContact CD1-CB 3.93Å; F751-A800 HydrophobicContact CD2-CB 3.59Å; F751-A800 HydrophobicContact CE1-CB 4.41Å; F751-A800 HydrophobicContact CE2-CB 4.11Å; F751-A800 HydrophobicContact CG-CB 3.49Å; F751-A800 VanDerWaalsContact CG-CB 3.49Å; F751-A800 HydrophobicContact CZ-CB 4.49Å
752	V	91.3	Very high	87	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.006	38%	0.379	C	S	.	.	H	α-helix	trans	-62	-45	175.6	161.2	0	0	0	0	110.4	A748 E749 N755 I756 R786 I789 F790 V797	A748-V752 WeakPolarHBondContact O-CB 3.29Å; A748-V752 VanDerWaalsContact O-CG2 3.26Å; A748-V752 WeakPolarHBondContact O-CG2 3.25Å; A748-V752 PolarHBondContact O-N 2.89Å; E749-V752 WeakPolarHBondContact O-CB 3.46Å; E749-V752 PolarHBondContact O-N 3.4Å; E749-V752 VanDerWaalsContact O-N 3.14Å; V752-N755 CarbonylContact O-C 3.56Å; V752-N755 PolarHBondContact O-N 3.46Å; V752-I756 HydrophobicContact CG1-CD1 3.85Å; V752-I756 VanDerWaalsContact O-CG1 3.27Å; V752-I756 WeakPolarHBondContact O-CG1 3.43Å; V752-I756 PolarHBondContact O-N 3.45Å; V752-R786 HydrophobicContact CG1-CB 4.34Å; V752-R786 HydrophobicContact CG1-CG 3.87Å; V752-I789 HydrophobicContact CG1-CD1 4.49Å; V752-I789 HydrophobicContact CG2-CG2 4.08Å; V752-F790 HydrophobicContact CG1-CE2 4.43Å; V752-F790 HydrophobicContact CG2-CE2 4Å; V752-F790 HydrophobicContact CG2-CZ 3.97Å; V752-V797 HydrophobicContact CG2-CG2 4.26Å
753	E	91.2	Very high	86.2	Confident	115 Å²	115	83.6 Å²	83.6	54%	0.537	41%	0.413	S	S	.	.	H	α-helix	trans	-71.4	-38.8	-177.7	-69.7	-172.1	177.8	0	0	113.1	E749 E750 N755 I756 R786	E749-E753 WeakPolarHBondContact O-CG 3.44Å; E749-E753 PolarHBondContact O-N 2.89Å; E750-E753 PolarHBondContact O-N 2.76Å; E753-N755 PolarHBondContact O-N 2.79Å; E753-I756 PolarHBondContact O-N 3.2Å; E753-R786 IonicContact OE1-CZ 3.93Å; E753-R786 IonicContact OE1-NH2 2.69Å; E753-R786 PolarHBondContact OE1-NH2 3.45Å
754	A	90.8	Very high	85.5	Confident	69 Å²	69	86.8 Å²	86.8	57%	0.57	42%	0.423	S	S	*	.	H	α-helix	trans	-57.8	-28.7	170.2	0	0	0	0	0	112.8	E750	E750-A754 WeakPolarHBondContact O-CB 3.42Å; E750-A754 PolarHBondContact O-N 3.45Å
755	N	91.1	Very high	84.7	Confident	16 Å²	16	88.4 Å²	88.4	9%	0.086	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	4	176	-76.9	-70.2	0	0	0	114.5	F751 V752 E753 Q757 P773 L774 I789	F751-N755 WeakPolarHBondContact CE2-ND2 3.44Å; F751-N755 WeakPolarHBondContact CZ-ND2 3.22Å; F751-N755 PolarHBondContact O-N 3.28Å; F751-N755 PolarHBondContact O-ND2 2.82Å; V752-N755 CarbonylContact O-C 3.56Å; V752-N755 PolarHBondContact O-N 3.46Å; E753-N755 PolarHBondContact O-N 2.79Å; N755-Q757 PolarHBondContact O-N 3.46Å; N755-P773 WeakPolarHBondContact O-CD 3.27Å; N755-L774 HydrophobicContact CB-CD1 4.41Å; N755-L774 WeakPolarHBondContact OD1-CD2 3.37Å; N755-L774 VanDerWaalsContact OD1-CG 3.3Å; N755-L774 WeakPolarHBondContact OD1-CG 3.21Å; N755-I789 HydrophobicContact CB-CD1 3.73Å
756	I	91.7	Very high	84	Confident	25 Å²	25	91.1 Å²	91.1	13%	0.128	44%	0.444	C	S	.	.			trans	-100.5	71.5	175.5	-65.1	166.1	0	0	0	109.4	V752 E753 W770 P782 V785 R786 I789	V752-I756 HydrophobicContact CG1-CD1 3.85Å; V752-I756 VanDerWaalsContact O-CG1 3.27Å; V752-I756 WeakPolarHBondContact O-CG1 3.43Å; V752-I756 PolarHBondContact O-N 3.45Å; E753-I756 PolarHBondContact O-N 3.2Å; I756-W770 HydrophobicContact CG2-CD2 4.49Å; I756-W770 HydrophobicContact CG2-CE3 3.56Å; I756-W770 HydrophobicContact CG2-CZ3 3.73Å; I756-P782 HydrophobicContact CG2-CB 3.54Å; I756-V785 HydrophobicContact CB-CG1 4.4Å; I756-V785 HydrophobicContact CG1-CB 3.96Å; I756-V785 HydrophobicContact CG1-CG1 3.71Å; I756-V785 HydrophobicContact CG2-CB 4.43Å; I756-R786 HydrophobicContact CD1-CB 4.1Å; I756-I789 HydrophobicContact CG1-CD1 4.39Å
757	Q	88.4	Confident	83.4	Confident	75 Å²	75	92.4 Å²	92.4	35%	0.35	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	124.1	-175.7	-69.8	-170.4	-0.9	0	0	113.1	N755 W770 V771 P773	N755-Q757 PolarHBondContact O-N 3.46Å; Q757-W770 CarbonylContact O-C 3.58Å; Q757-W770 WeakPolarHBondContact O-CA 3.47Å; Q757-V771 PolarHBondContact N-O 2.62Å; Q757-V771 VanDerWaalsContact N-O 3.16Å; Q757-V771 PolarHBondContact O-N 3Å; Q757-P773 HydrophobicContact CB-CG 4.41Å; Q757-P773 VanDerWaalsContact CD-CG 3.43Å; Q757-P773 HydrophobicContact CG-CG 3.7Å
758	K	90.1	Very high	83.1	Confident	133 Å²	133	94.7 Å²	94.7	58%	0.578	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	110.3	171.3	-169.5	-178.6	178.9	178.8	0	110.4	V768 W770	K758-V768 HydrophobicContact CD-CG1 4.33Å; K758-V768 HydrophobicContact CG-CG1 3.75Å; K758-W770 HydrophobicContact CB-CE3 3.92Å; K758-W770 HydrophobicContact CB-CH2 4.08Å; K758-W770 HydrophobicContact CB-CZ3 3.69Å; K758-W770 HydrophobicContact CD-CH2 4.19Å; K758-W770 HydrophobicContact CD-CZ2 4.37Å; K758-W770 HydrophobicContact CG-CE3 4.48Å; K758-W770 HydrophobicContact CG-CH2 4.25Å; K758-W770 HydrophobicContact CG-CZ2 4.36Å; K758-W770 HydrophobicContact CG-CZ3 4.29Å
759	R	83.3	Confident	83.1	Confident	107 Å²	107	96.2 Å²	96.2	40%	0.404	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120	175.5	-62.6	-170.3	-177.1	164.9	2.9	110.9	V769 V771 D776	R759-V769 PolarHBondContact N-O 3.39Å; R759-V769 PolarHBondContact O-N 2.72Å; R759-V771 HydrophobicContact CB-CG2 4.14Å; R759-V771 HydrophobicContact CG-CB 4.46Å; R759-V771 HydrophobicContact CG-CG2 4.12Å; R759-D776 IonicContact NH1-OD1 3.84Å; R759-D776 PolarHBondContact NH1-OD1 2.85Å
760	T	79.4	Confident	83	Confident	85 Å²	85	94 Å²	94	52%	0.521	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	133.7	169.6	45.5	0	0	0	0	110	V768	T760-V768 HydrophobicContact CG2-CG2 4.36Å
761	G	68.8	Low	83	Confident	37 Å²	37	89.1 Å²	89.1	38%	0.381	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	126.3	-176.6	0	0	0	0	0	112.1	K763 K764	G761-K763 PolarHBondContact O-N 3.2Å; G761-K764 CarbonylContact O-C 3.19Å; G761-K764 PolarHBondContact O-N 2.87Å
762	K	69.1	Low	83.1	Confident	220 Å²	220	87 Å²	87	96%	0.957	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-29.9	178.4	-66.1	-171.8	179.3	-175.8	0	114.5
763	K	70.2	Confident	83	Confident	209 Å²	209	89 Å²	89	91%	0.909	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-15.8	178.4	-65	-171.6	177	-174.7	0	115	G761	G761-K763 PolarHBondContact O-N 3.2Å
764	K	71.8	Confident	82.9	Confident	153 Å²	153	85.5 Å²	85.5	67%	0.665	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.3	81.2	-177.4	-68.5	-165.4	177.2	-171.3	0	109.9	G761 F766 K767	G761-K764 CarbonylContact O-C 3.19Å; G761-K764 PolarHBondContact O-N 2.87Å; K764-F766 PolarHBondContact O-N 3.01Å; K764-K767 HydrophobicContact CB-CB 4.36Å; K764-K767 PolarHBondContact O-N 3.28Å
765	P	72.5	Confident	82.8	Confident	87 Å²	87	84 Å²	84	57%	0.565	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	-32.3	-172.7	22.7	-33.7	0	0	0	113.5	K767	P765-K767 VanDerWaalsContact C-N 3.27Å; P765-K767 PolarHBondContact O-N 2.67Å
766	F	74.2	Confident	82.6	Confident	201 Å²	201	88 Å²	88	88%	0.882	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.6	-19.5	177	-56.9	-75.4	0	0	0	114.5	K764 V768	K764-F766 PolarHBondContact O-N 3.01Å; F766-V768 PolarHBondContact O-N 2.94Å
767	K	78.5	Confident	82.7	Confident	141 Å²	141	91.9 Å²	91.9	61%	0.613	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	96	177.6	-169.8	167.1	-176.4	172.7	0	110.3	K764 P765 V769	K764-K767 HydrophobicContact CB-CB 4.36Å; K764-K767 PolarHBondContact O-N 3.28Å; P765-K767 VanDerWaalsContact C-N 3.27Å; P765-K767 PolarHBondContact O-N 2.67Å; K767-V769 HydrophobicContact CG-CG2 4.27Å
768	V	81.7	Confident	82.8	Confident	56 Å²	56	96.1 Å²	96.1	34%	0.339	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	135	163.6	179.7	0	0	0	0	109.3	K758 T760 F766	K758-V768 HydrophobicContact CD-CG1 4.33Å; K758-V768 HydrophobicContact CG-CG1 3.75Å; T760-V768 HydrophobicContact CG2-CG2 4.36Å; F766-V768 PolarHBondContact O-N 2.94Å
769	V	87.7	Confident	82.9	Confident	37 Å²	37	91.9 Å²	91.9	22%	0.224	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.8	168.9	-179.3	0	0	0	0	107.4	R759 K767 V771 K778	R759-V769 PolarHBondContact N-O 3.39Å; R759-V769 PolarHBondContact O-N 2.72Å; K767-V769 HydrophobicContact CG-CG2 4.27Å; V769-V771 HydrophobicContact CG1-CG2 4.23Å; V769-K778 HydrophobicContact CG1-CB 3.78Å; V769-K778 HydrophobicContact CG1-CG 4.01Å
770	W	90.2	Very high	83.1	Confident	56 Å²	56	96.8 Å²	96.8	21%	0.212	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	141.3	173.9	-62.2	89.8	0	0	0	109.3	I756 Q757 K758 K778 F779 P782 V785	I756-W770 HydrophobicContact CG2-CD2 4.49Å; I756-W770 HydrophobicContact CG2-CE3 3.56Å; I756-W770 HydrophobicContact CG2-CZ3 3.73Å; Q757-W770 CarbonylContact O-C 3.58Å; Q757-W770 WeakPolarHBondContact O-CA 3.47Å; K758-W770 HydrophobicContact CB-CE3 3.92Å; K758-W770 HydrophobicContact CB-CH2 4.08Å; K758-W770 HydrophobicContact CB-CZ3 3.69Å; K758-W770 HydrophobicContact CD-CH2 4.19Å; K758-W770 HydrophobicContact CD-CZ2 4.37Å; K758-W770 HydrophobicContact CG-CE3 4.48Å; K758-W770 HydrophobicContact CG-CH2 4.25Å; K758-W770 HydrophobicContact CG-CZ2 4.36Å; K758-W770 HydrophobicContact CG-CZ3 4.29Å; W770-K778 CarbonylContact O-C 3.49Å; W770-K778 WeakPolarHBondContact O-CA 3.33Å; W770-F779 HydrophobicContact CB-CB 4.39Å; W770-F779 PolarHBondContact N-O 3.46Å; W770-F779 PolarHBondContact O-N 2.91Å; W770-P782 HydrophobicContact CD2-CB 4.15Å; W770-P782 HydrophobicContact CE3-CB 4.21Å; W770-P782 HydrophobicContact CH2-CB 4.43Å; W770-P782 HydrophobicContact CZ2-CB 4.4Å; W770-P782 HydrophobicContact CZ2-CG 4.23Å; W770-P782 HydrophobicContact CZ3-CB 4.35Å; W770-V785 HydrophobicContact CB-CG2 3.69Å
771	V	90.9	Very high	83.5	Confident	4 Å²	4	96.5 Å²	96.5	2%	0.024	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	133.9	-174.6	-173.4	0	0	0	0	109.9	Q757 R759 V769 P773 K777 K778	Q757-V771 PolarHBondContact N-O 2.62Å; Q757-V771 VanDerWaalsContact N-O 3.16Å; Q757-V771 PolarHBondContact O-N 3Å; R759-V771 HydrophobicContact CB-CG2 4.14Å; R759-V771 HydrophobicContact CG-CB 4.46Å; R759-V771 HydrophobicContact CG-CG2 4.12Å; V769-V771 HydrophobicContact CG1-CG2 4.23Å; V771-P773 WeakPolarHBondContact O-CD 3.31Å; V771-K777 WeakPolarHBondContact CA-O 3.24Å; V771-K778 HydrophobicContact CG2-CG 4.06Å
772	C	91.6	Very high	84.6	Confident	0 Å²	0	96.9 Å²	96.9	0%	0	45%	0.453	C	S	.	.			trans	-87.9	112.4	172	-179.2	0	0	0	0	109.9	L774 S775 D776 K777 F779 V785	C772-L774 PolarHBondContact O-N 2.91Å; C772-S775 PolarHBondContact O-N 3.22Å; C772-D776 WeakPolarHBondContact O-CA 3.32Å; C772-D776 PolarHBondContact O-N 3.46Å; C772-K777 PolarHBondContact N-O 2.82Å; C772-K777 VanDerWaalsContact N-O 3.11Å; C772-F779 HydrophobicContact CB-CE2 4.23Å; C772-V785 HydrophobicContact CB-CG1 3.99Å
773	P	90.2	Very high	85.7	Confident	43 Å²	43	91.4 Å²	91.4	28%	0.279	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.6	178.3	-24.3	36.1	0	0	0	113.5	N755 Q757 V771 S775	N755-P773 WeakPolarHBondContact O-CD 3.27Å; Q757-P773 HydrophobicContact CB-CG 4.41Å; Q757-P773 VanDerWaalsContact CD-CG 3.43Å; Q757-P773 HydrophobicContact CG-CG 3.7Å; V771-P773 WeakPolarHBondContact O-CD 3.31Å; P773-S775 PolarHBondContact O-N 3.26Å
774	L	89.1	Confident	86.7	Confident	42 Å²	42	86.4 Å²	86.4	22%	0.22	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.6	-179	-51.3	176.8	0	0	0	113.9	F751 N755 C772 H793 K796	F751-L774 HydrophobicContact CE1-CD1 4.17Å; F751-L774 HydrophobicContact CZ-CD1 4.1Å; F751-L774 HydrophobicContact CZ-CD2 4.47Å; N755-L774 HydrophobicContact CB-CD1 4.41Å; N755-L774 WeakPolarHBondContact OD1-CD2 3.37Å; N755-L774 VanDerWaalsContact OD1-CG 3.3Å; N755-L774 WeakPolarHBondContact OD1-CG 3.21Å; C772-L774 PolarHBondContact O-N 2.91Å; L774-H793 HydrophobicContact CD1-CB 4.07Å; L774-H793 PolarHBondContact O-CE1 3.01Å; L774-K796 HydrophobicContact CD1-CD 4.17Å; L774-K796 HydrophobicContact CD2-CD 4.12Å
775	S	88.2	Confident	87.7	Confident	37 Å²	37	79.1 Å²	79.1	26%	0.259	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.7	1.5	-177.6	61.2	0	0	0	0	116.3	C772 P773 K777 H788	C772-S775 PolarHBondContact O-N 3.22Å; P773-S775 PolarHBondContact O-N 3.26Å; S775-K777 PolarHBondContact O-N 2.64Å; S775-H788 PolarHBondContact OG-CE1 3.41Å; S775-H788 PolarHBondContact OG-NE2 2.97Å
776	D	87.9	Confident	88.7	Confident	100 Å²	100	78.7 Å²	78.7	54%	0.535	37%	0.367	S	S	.	.			trans	50.4	13.7	-171.1	-84.5	-55.8	0	0	0	116.7	R759 C772	R759-D776 IonicContact NH1-OD1 3.84Å; R759-D776 PolarHBondContact NH1-OD1 2.85Å; C772-D776 WeakPolarHBondContact O-CA 3.32Å; C772-D776 PolarHBondContact O-N 3.46Å
777	K	92	Very high	89.6	Confident	107 Å²	107	75.6 Å²	75.6	47%	0.465	35%	0.353	S	S	.	.			trans	-70.8	137.5	178.9	-73.2	171.8	-174.1	175.7	0	110.9	V771 C772 S775 F779	V771-K777 WeakPolarHBondContact CA-O 3.24Å; C772-K777 PolarHBondContact N-O 2.82Å; C772-K777 VanDerWaalsContact N-O 3.11Å; S775-K777 PolarHBondContact O-N 2.64Å; K777-F779 HydrophobicContact CB-CD2 4.5Å; K777-F779 HydrophobicContact CB-CE2 3.55Å; K777-F779 HydrophobicContact CB-CZ 3.81Å; K777-F779 VanDerWaalsContact O-CD2 3.31Å; K777-F779 WeakPolarHBondContact O-CD2 3.4Å; K777-F779 WeakPolarHBondContact O-CE2 3.48Å
778	K	90.9	Very high	90.3	Very high	163 Å²	163	69.6 Å²	69.6	71%	0.709	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.3	-171.8	-69.6	159.9	-171.6	160.2	0	110	V769 W770 V771	V769-K778 HydrophobicContact CG1-CB 3.78Å; V769-K778 HydrophobicContact CG1-CG 4.01Å; W770-K778 CarbonylContact O-C 3.49Å; W770-K778 WeakPolarHBondContact O-CA 3.33Å; V771-K778 HydrophobicContact CG2-CG 4.06Å
779	F	91.8	Very high	90.9	Very high	45 Å²	45	66.9 Å²	66.9	20%	0.197	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	156.7	-172.6	-62.2	-85.9	0	0	0	111.4	W770 C772 K777 F784 V785 H788	W770-F779 HydrophobicContact CB-CB 4.39Å; W770-F779 PolarHBondContact N-O 3.46Å; W770-F779 PolarHBondContact O-N 2.91Å; C772-F779 HydrophobicContact CB-CE2 4.23Å; K777-F779 HydrophobicContact CB-CD2 4.5Å; K777-F779 HydrophobicContact CB-CE2 3.55Å; K777-F779 HydrophobicContact CB-CZ 3.81Å; K777-F779 VanDerWaalsContact O-CD2 3.31Å; K777-F779 WeakPolarHBondContact O-CD2 3.4Å; K777-F779 WeakPolarHBondContact O-CE2 3.48Å; F779-F784 HydrophobicContact CB-CB 4.25Å; F779-F784 HydrophobicContact CD1-CB 3.59Å; F779-F784 HydrophobicContact CE1-CB 4.32Å; F779-F784 HydrophobicContact CG-CB 4.22Å; F779-V785 HydrophobicContact CB-CG2 3.77Å; F779-V785 HydrophobicContact CD2-CB 4.42Å; F779-V785 HydrophobicContact CD2-CG2 3.68Å; F779-V785 HydrophobicContact CG-CG2 3.89Å; F779-H788 HydrophobicContact CE1-CB 3.99Å; F779-H788 HydrophobicContact CE2-CB 4.18Å; F779-H788 HydrophobicContact CZ-CB 3.47Å; F779-H788 VanDerWaalsContact CZ-CB 3.47Å; F779-H788 AromaticContact CZ-CG 3.51Å; F779-H788 AromaticContact CZ-ND1 3.8Å
780	R	88	Confident	91.1	Very high	209 Å²	209	69.2 Å²	69.2	79%	0.789	32%	0.318	S	S	*	.	S	Bend	trans	-78.7	-35.2	179.9	-171.7	176.5	179.3	156.3	-2.5	112.7
781	E	88.4	Confident	91.2	Very high	79 Å²	79	72.6 Å²	72.6	37%	0.369	34%	0.34	S	S	.	.	S	Bend	trans	-140.9	155.5	-173.1	-74.2	143.7	-127.7	0	0	110.5	I783 F784	E781-I783 VanDerWaalsContact C-N 3.27Å; E781-I783 PolarHBondContact O-N 3.34Å; E781-F784 HydrophobicContact CB-CD2 3.89Å; E781-F784 HydrophobicContact CB-CE2 4.12Å; E781-F784 PolarHBondContact O-N 2.84Å; E781-F784 WeakPolarHBondContact OE2-CE2 3.5Å
782	P	91.7	Very high	91.3	Very high	46 Å²	46	78.9 Å²	78.9	30%	0.299	37%	0.367	S	S	.	.	H	α-helix	trans	-67.4	-26.6	-176.6	28.2	-35.2	0	0	0	112.9	I756 W770 F784 V785 R786	I756-P782 HydrophobicContact CG2-CB 3.54Å; W770-P782 HydrophobicContact CD2-CB 4.15Å; W770-P782 HydrophobicContact CE3-CB 4.21Å; W770-P782 HydrophobicContact CH2-CB 4.43Å; W770-P782 HydrophobicContact CZ2-CB 4.4Å; W770-P782 HydrophobicContact CZ2-CG 4.23Å; W770-P782 HydrophobicContact CZ3-CB 4.35Å; P782-F784 VanDerWaalsContact C-N 3.3Å; P782-F784 PolarHBondContact O-N 3.19Å; P782-V785 WeakPolarHBondContact O-CA 3.35Å; P782-V785 WeakPolarHBondContact O-CB 3.45Å; P782-V785 PolarHBondContact O-N 3.17Å; P782-R786 PolarHBondContact O-N 2.87Å
783	I	91.8	Very high	91.3	Very high	105 Å²	105	79.9 Å²	79.9	54%	0.538	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-39.6	179.2	-57.9	172.6	0	0	0	111	E781 V785 R786 K787	E781-I783 VanDerWaalsContact C-N 3.27Å; E781-I783 PolarHBondContact O-N 3.34Å; I783-V785 VanDerWaalsContact C-N 3.31Å; I783-V785 PolarHBondContact O-N 3.27Å; I783-R786 PolarHBondContact O-N 3.21Å; I783-K787 PolarHBondContact O-N 2.87Å
784	F	92.5	Very high	91.4	Very high	103 Å²	103	81.1 Å²	81.1	45%	0.452	38%	0.375	S	S	.	.	H	α-helix	trans	-69.5	-29.3	175.4	-60.5	-69.3	0	0	0	112.5	F779 E781 P782 H788	F779-F784 HydrophobicContact CB-CB 4.25Å; F779-F784 HydrophobicContact CD1-CB 3.59Å; F779-F784 HydrophobicContact CE1-CB 4.32Å; F779-F784 HydrophobicContact CG-CB 4.22Å; E781-F784 HydrophobicContact CB-CD2 3.89Å; E781-F784 HydrophobicContact CB-CE2 4.12Å; E781-F784 PolarHBondContact O-N 2.84Å; E781-F784 WeakPolarHBondContact OE2-CE2 3.5Å; P782-F784 VanDerWaalsContact C-N 3.3Å; P782-F784 PolarHBondContact O-N 3.19Å; F784-H788 VanDerWaalsContact O-CB 3.24Å; F784-H788 WeakPolarHBondContact O-CB 3.23Å; F784-H788 PolarHBondContact O-N 2.99Å
785	V	92.2	Very high	91.5	Very high	0 Å²	0	84.7 Å²	84.7	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-68.3	-48	172.3	-170.3	0	0	0	0	110.3	I756 W770 C772 F779 P782 I783 K787 H788 I789	I756-V785 HydrophobicContact CB-CG1 4.4Å; I756-V785 HydrophobicContact CG1-CB 3.96Å; I756-V785 HydrophobicContact CG1-CG1 3.71Å; I756-V785 HydrophobicContact CG2-CB 4.43Å; W770-V785 HydrophobicContact CB-CG2 3.69Å; C772-V785 HydrophobicContact CB-CG1 3.99Å; F779-V785 HydrophobicContact CB-CG2 3.77Å; F779-V785 HydrophobicContact CD2-CB 4.42Å; F779-V785 HydrophobicContact CD2-CG2 3.68Å; F779-V785 HydrophobicContact CG-CG2 3.89Å; P782-V785 WeakPolarHBondContact O-CA 3.35Å; P782-V785 WeakPolarHBondContact O-CB 3.45Å; P782-V785 PolarHBondContact O-N 3.17Å; I783-V785 VanDerWaalsContact C-N 3.31Å; I783-V785 PolarHBondContact O-N 3.27Å; V785-K787 PolarHBondContact O-N 3.46Å; V785-H788 PolarHBondContact O-N 3.45Å; V785-H788 VanDerWaalsContact O-N 3.14Å; V785-I789 HydrophobicContact CG1-CD1 4.06Å; V785-I789 WeakPolarHBondContact O-CG1 3.34Å; V785-I789 PolarHBondContact O-N 2.94Å
786	R	92.9	Very high	91.6	Very high	79 Å²	79	87.2 Å²	87.2	30%	0.298	40%	0.4	S	S	.	.	H	α-helix	trans	-55.2	-51.5	175.7	-176.9	169.3	-72.8	-158.4	2.4	110.7	E749 V752 E753 I756 P782 I783 H788 I789 F790	E749-R786 IonicContact OE1-NH1 3.98Å; V752-R786 HydrophobicContact CG1-CB 4.34Å; V752-R786 HydrophobicContact CG1-CG 3.87Å; E753-R786 IonicContact OE1-CZ 3.93Å; E753-R786 IonicContact OE1-NH2 2.69Å; E753-R786 PolarHBondContact OE1-NH2 3.45Å; I756-R786 HydrophobicContact CD1-CB 4.1Å; P782-R786 PolarHBondContact O-N 2.87Å; I783-R786 PolarHBondContact O-N 3.21Å; R786-H788 PolarHBondContact O-N 2.91Å; R786-I789 PolarHBondContact O-N 3.33Å; R786-F790 HydrophobicContact CG-CD2 3.83Å; R786-F790 HydrophobicContact CG-CE2 3.72Å; R786-F790 VanDerWaalsContact O-CD2 3.29Å; R786-F790 WeakPolarHBondContact O-CD2 3.46Å; R786-F790 PolarHBondContact O-N 3.3Å; R786-F790 VanDerWaalsContact O-N 3.08Å
787	K	92.9	Very high	91.8	Very high	135 Å²	135	82.5 Å²	82.5	59%	0.587	38%	0.375	S	S	*	.	H	α-helix	trans	-62.1	-37.1	175.4	-70.9	-172.8	176	-171.2	0	113.4	I783 V785 N791	I783-K787 PolarHBondContact O-N 2.87Å; V785-K787 PolarHBondContact O-N 3.46Å; K787-N791 VanDerWaalsContact O-CB 3.29Å; K787-N791 WeakPolarHBondContact O-CB 3.48Å; K787-N791 VanDerWaalsContact O-CG 3.32Å; K787-N791 PolarHBondContact O-N 3.34Å; K787-N791 PolarHBondContact O-OD1 2.93Å; K787-N791 VanDerWaalsContact O-OD1 3.04Å
788	H	93.6	Very high	91.7	Very high	15 Å²	15	82.1 Å²	82.1	7%	0.069	38%	0.375	C	S	.	.	H	α-helix	trans	-63.9	-40.1	174.4	163.4	87.1	0	0	0	112.1	S775 F779 F784 V785 R786 N791 K792 H793	S775-H788 PolarHBondContact OG-CE1 3.41Å; S775-H788 PolarHBondContact OG-NE2 2.97Å; F779-H788 HydrophobicContact CE1-CB 3.99Å; F779-H788 HydrophobicContact CE2-CB 4.18Å; F779-H788 HydrophobicContact CZ-CB 3.47Å; F779-H788 VanDerWaalsContact CZ-CB 3.47Å; F779-H788 AromaticContact CZ-CG 3.51Å; F779-H788 AromaticContact CZ-ND1 3.8Å; F784-H788 VanDerWaalsContact O-CB 3.24Å; F784-H788 WeakPolarHBondContact O-CB 3.23Å; F784-H788 PolarHBondContact O-N 2.99Å; V785-H788 PolarHBondContact O-N 3.45Å; V785-H788 VanDerWaalsContact O-N 3.14Å; R786-H788 PolarHBondContact O-N 2.91Å; H788-N791 PolarHBondContact O-N 2.82Å; H788-K792 WeakPolarHBondContact O-CB 3.46Å; H788-K792 PolarHBondContact O-N 3.3Å; H788-H793 AromaticContact CD2-CD2 3.91Å; H788-H793 AromaticContact CD2-NE2 3.95Å; H788-H793 AromaticContact CE1-NE2 3.76Å; H788-H793 AromaticContact NE2-CD2 3.31Å; H788-H793 PolarHBondContact NE2-CD2 2.88Å; H788-H793 VanDerWaalsContact NE2-CD2 3.31Å; H788-H793 AromaticContact NE2-NE2 2.94Å; H788-H793 PolarHBondContact NE2-NE2 3.16Å
789	I	93.3	Very high	91.6	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-64.1	-52.4	177.5	-65.5	163.7	0	0	0	109.8	V752 N755 I756 V785 R786 N791 K792 H793 V797	V752-I789 HydrophobicContact CG1-CD1 4.49Å; V752-I789 HydrophobicContact CG2-CG2 4.08Å; N755-I789 HydrophobicContact CB-CD1 3.73Å; I756-I789 HydrophobicContact CG1-CD1 4.39Å; V785-I789 HydrophobicContact CG1-CD1 4.06Å; V785-I789 WeakPolarHBondContact O-CG1 3.34Å; V785-I789 PolarHBondContact O-N 2.94Å; R786-I789 PolarHBondContact O-N 3.33Å; I789-N791 PolarHBondContact O-N 3.42Å; I789-K792 PolarHBondContact O-N 3.38Å; I789-H793 HydrophobicContact CG2-CB 4.33Å; I789-H793 CarbonylContact O-C 3.51Å; I789-H793 WeakPolarHBondContact O-CA 3.42Å; I789-H793 PolarHBondContact O-N 3.34Å; I789-V797 HydrophobicContact CG2-CG2 3.54Å
790	F	92.6	Very high	91.5	Very high	86 Å²	86	74.4 Å²	74.4	38%	0.377	35%	0.35	S	S	.	.	H	α-helix	trans	-64.5	-17.1	178	-76.7	-68.6	0	0	0	114.9	V752 R786 M794 V797	V752-F790 HydrophobicContact CG1-CE2 4.43Å; V752-F790 HydrophobicContact CG2-CE2 4Å; V752-F790 HydrophobicContact CG2-CZ 3.97Å; R786-F790 HydrophobicContact CG-CD2 3.83Å; R786-F790 HydrophobicContact CG-CE2 3.72Å; R786-F790 VanDerWaalsContact O-CD2 3.29Å; R786-F790 WeakPolarHBondContact O-CD2 3.46Å; R786-F790 PolarHBondContact O-N 3.3Å; R786-F790 VanDerWaalsContact O-N 3.08Å; F790-M794 HydrophobicContact CB-SD 4.44Å; F790-M794 HydrophobicContact CD1-SD 3.76Å; F790-M794 WeakPolarHBondContact O-CG 3.24Å; F790-M794 VanDerWaalsContact O-SD 3.38Å; F790-V797 HydrophobicContact CE1-CG1 4.4Å
791	N	93.3	Very high	91.6	Very high	127 Å²	127	67.6 Å²	67.6	68%	0.679	33%	0.326	S	S	*	.	H	α-helix	trans	-104.7	-12.9	178.5	-71.2	42.4	0	0	0	114.2	K787 H788 I789	K787-N791 VanDerWaalsContact O-CB 3.29Å; K787-N791 WeakPolarHBondContact O-CB 3.48Å; K787-N791 VanDerWaalsContact O-CG 3.32Å; K787-N791 PolarHBondContact O-N 3.34Å; K787-N791 PolarHBondContact O-OD1 2.93Å; K787-N791 VanDerWaalsContact O-OD1 3.04Å; H788-N791 PolarHBondContact O-N 2.82Å; I789-N791 PolarHBondContact O-N 3.42Å
792	K	92.2	Very high	91.6	Very high	136 Å²	136	67 Å²	67	59%	0.591	32%	0.322	S	S	*	.	H	α-helix	trans	-138.8	-3.4	-172.7	-55.4	-161.7	-179.5	-149.6	0	115.2	H788 I789	H788-K792 WeakPolarHBondContact O-CB 3.46Å; H788-K792 PolarHBondContact O-N 3.3Å; I789-K792 PolarHBondContact O-N 3.38Å
793	H	91.9	Very high	91.3	Very high	20 Å²	20	67.6 Å²	67.6	9%	0.093	32%	0.323	C	S	.	.			trans	-142.6	30.5	-178.4	-58.5	-44.6	0	0	0	111.9	L774 H788 I789 D795 K796 V797	L774-H793 HydrophobicContact CD1-CB 4.07Å; L774-H793 PolarHBondContact O-CE1 3.01Å; H788-H793 AromaticContact CD2-CD2 3.91Å; H788-H793 AromaticContact CD2-NE2 3.95Å; H788-H793 AromaticContact CE1-NE2 3.76Å; H788-H793 AromaticContact NE2-CD2 3.31Å; H788-H793 PolarHBondContact NE2-CD2 2.88Å; H788-H793 VanDerWaalsContact NE2-CD2 3.31Å; H788-H793 AromaticContact NE2-NE2 2.94Å; H788-H793 PolarHBondContact NE2-NE2 3.16Å; I789-H793 HydrophobicContact CG2-CB 4.33Å; I789-H793 CarbonylContact O-C 3.51Å; I789-H793 WeakPolarHBondContact O-CA 3.42Å; I789-H793 PolarHBondContact O-N 3.34Å; H793-D795 VanDerWaalsContact C-N 3.33Å; H793-D795 PolarHBondContact O-N 3.43Å; H793-K796 HydrophobicContact CB-CB 4.34Å; H793-K796 HydrophobicContact CB-CD 4.34Å; H793-K796 HydrophobicContact CB-CG 4.43Å; H793-K796 WeakPolarHBondContact O-CB 3.26Å; H793-K796 PolarHBondContact O-N 3.11Å; H793-V797 PolarHBondContact O-N 3.12Å; H793-V797 VanDerWaalsContact O-N 3.15Å
794	M	91.4	Very high	91	Very high	69 Å²	69	65.5 Å²	65.5	34%	0.34	31%	0.313	S	S	.	.	H	α-helix	trans	-54.1	-49.3	179.1	-84	-61.4	-63.8	0	0	111.9	F790 K796 V797 E798	F790-M794 HydrophobicContact CB-SD 4.44Å; F790-M794 HydrophobicContact CD1-SD 3.76Å; F790-M794 WeakPolarHBondContact O-CG 3.24Å; F790-M794 VanDerWaalsContact O-SD 3.38Å; M794-K796 PolarHBondContact O-N 3.11Å; M794-V797 CarbonylContact O-C 3.58Å; M794-V797 WeakPolarHBondContact O-CA 3.16Å; M794-V797 WeakPolarHBondContact O-CB 3.27Å; M794-V797 PolarHBondContact O-N 2.97Å; M794-E798 HydrophobicContact CE-CG 4.44Å; M794-E798 WeakPolarHBondContact CE-OE1 3.42Å; M794-E798 PolarHBondContact O-N 3.27Å
795	D	91.6	Very high	90.8	Very high	118 Å²	118	60.6 Å²	60.6	63%	0.631	29%	0.292	S	S	*	.	H	α-helix	trans	-52	-30.8	175.2	13.2	-64.2	0	0	0	112.9	H793 A799	H793-D795 VanDerWaalsContact C-N 3.33Å; H793-D795 PolarHBondContact O-N 3.43Å; D795-A799 VanDerWaalsContact O-CB 3.24Å; D795-A799 WeakPolarHBondContact O-CB 3.45Å; D795-A799 PolarHBondContact O-N 3.48Å
796	K	91.1	Very high	90.6	Very high	89 Å²	89	63.5 Å²	63.5	39%	0.387	31%	0.307	S	S	.	.	H	α-helix	trans	-80.7	-32.7	173.8	-57.5	-171.5	177.8	-176.9	0	113.3	F751 L774 H793 M794 A800	F751-K796 HydrophobicContact CE1-CB 4.21Å; F751-K796 HydrophobicContact CZ-CB 4.04Å; L774-K796 HydrophobicContact CD1-CD 4.17Å; L774-K796 HydrophobicContact CD2-CD 4.12Å; H793-K796 HydrophobicContact CB-CB 4.34Å; H793-K796 HydrophobicContact CB-CD 4.34Å; H793-K796 HydrophobicContact CB-CG 4.43Å; H793-K796 WeakPolarHBondContact O-CB 3.26Å; H793-K796 PolarHBondContact O-N 3.11Å; M794-K796 PolarHBondContact O-N 3.11Å; K796-A800 WeakPolarHBondContact O-CB 3.3Å; K796-A800 PolarHBondContact O-N 3.27Å
797	V	91.2	Very high	90.5	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-68.8	-41.9	172.1	-178.6	0	0	0	0	109.9	A748 F751 V752 I789 F790 H793 M794 A800 K801	A748-V797 HydrophobicContact CB-CG1 3.65Å; F751-V797 HydrophobicContact CD1-CG2 4.14Å; F751-V797 HydrophobicContact CE1-CG2 4.11Å; V752-V797 HydrophobicContact CG2-CG2 4.26Å; I789-V797 HydrophobicContact CG2-CG2 3.54Å; F790-V797 HydrophobicContact CE1-CG1 4.4Å; H793-V797 PolarHBondContact O-N 3.12Å; H793-V797 VanDerWaalsContact O-N 3.15Å; M794-V797 CarbonylContact O-C 3.58Å; M794-V797 WeakPolarHBondContact O-CA 3.16Å; M794-V797 WeakPolarHBondContact O-CB 3.27Å; M794-V797 PolarHBondContact O-N 2.97Å; V797-A800 WeakPolarHBondContact O-CB 3.46Å; V797-A800 PolarHBondContact O-N 3.44Å; V797-K801 WeakPolarHBondContact O-CG 3.45Å; V797-K801 PolarHBondContact O-N 2.75Å
798	E	90.5	Very high	90.3	Very high	98 Å²	98	53.4 Å²	53.4	46%	0.458	27%	0.265	S	S	.	.	H	α-helix	trans	-69.1	-41.4	177.2	-70.2	178.9	-166.5	0	0	112.1	M794 A800 K801 K802	M794-E798 HydrophobicContact CE-CG 4.44Å; M794-E798 WeakPolarHBondContact CE-OE1 3.42Å; M794-E798 PolarHBondContact O-N 3.27Å; E798-A800 VanDerWaalsContact C-N 3.3Å; E798-A800 PolarHBondContact O-N 2.82Å; E798-K801 WeakPolarHBondContact O-CB 3.19Å; E798-K801 PolarHBondContact O-N 3.26Å; E798-K801 VanDerWaalsContact O-N 3.13Å; E798-K802 WeakPolarHBondContact O-CG 3.37Å; E798-K802 PolarHBondContact O-N 3.2Å
799	A	89	Confident	90.2	Very high	40 Å²	40	53.7 Å²	53.7	33%	0.331	27%	0.267	S	S	.	.	H	α-helix	trans	-55.9	-45.3	167.8	0	0	0	0	0	111.3	D795 K801 K802 D803	D795-A799 VanDerWaalsContact O-CB 3.24Å; D795-A799 WeakPolarHBondContact O-CB 3.45Å; D795-A799 PolarHBondContact O-N 3.48Å; A799-K801 VanDerWaalsContact C-N 3.32Å; A799-K801 PolarHBondContact O-N 2.97Å; A799-K802 WeakPolarHBondContact O-CB 3.47Å; A799-K802 PolarHBondContact O-N 3.38Å; A799-K802 VanDerWaalsContact O-N 3.08Å; A799-D803 WeakPolarHBondContact O-CB 3.28Å; A799-D803 PolarHBondContact O-N 3.02Å
800	A	88.7	Confident	90	Very high	6 Å²	6	55 Å²	55	5%	0.05	27%	0.273	C	S	.	.	H	α-helix	trans	-63	-33.4	175.7	0	0	0	0	0	113.6	F751 K796 V797 E798 N804	F751-A800 HydrophobicContact CB-CB 3.8Å; F751-A800 HydrophobicContact CD1-CB 3.93Å; F751-A800 HydrophobicContact CD2-CB 3.59Å; F751-A800 HydrophobicContact CE1-CB 4.41Å; F751-A800 HydrophobicContact CE2-CB 4.11Å; F751-A800 HydrophobicContact CG-CB 3.49Å; F751-A800 VanDerWaalsContact CG-CB 3.49Å; F751-A800 HydrophobicContact CZ-CB 4.49Å; K796-A800 WeakPolarHBondContact O-CB 3.3Å; K796-A800 PolarHBondContact O-N 3.27Å; V797-A800 WeakPolarHBondContact O-CB 3.46Å; V797-A800 PolarHBondContact O-N 3.44Å; E798-A800 VanDerWaalsContact C-N 3.3Å; E798-A800 PolarHBondContact O-N 2.82Å; A800-N804 VanDerWaalsContact O-CB 3.3Å; A800-N804 WeakPolarHBondContact O-CB 3.37Å; A800-N804 PolarHBondContact O-N 2.89Å; A800-N804 VanDerWaalsContact O-N 3.11Å; A800-N804 PolarHBondContact O-ND2 3.33Å
801	K	90.3	Very high	89.8	Confident	66 Å²	66	50.9 Å²	50.9	29%	0.287	26%	0.256	S	S	.	.	H	α-helix	trans	-63.8	-44.7	169.7	-66.4	-167.6	174.4	-175.9	0	111.5	P744 A748 V797 E798 A799 A805 I806	P744-K801 WeakPolarHBondContact O-CG 3.08Å; A748-K801 HydrophobicContact CB-CD 4.28Å; A748-K801 VanDerWaalsContact CB-CE 3.45Å; A748-K801 HydrophobicContact CB-CG 3.83Å; V797-K801 WeakPolarHBondContact O-CG 3.45Å; V797-K801 PolarHBondContact O-N 2.75Å; E798-K801 WeakPolarHBondContact O-CB 3.19Å; E798-K801 PolarHBondContact O-N 3.26Å; E798-K801 VanDerWaalsContact O-N 3.13Å; A799-K801 VanDerWaalsContact C-N 3.32Å; A799-K801 PolarHBondContact O-N 2.97Å; K801-A805 PolarHBondContact O-N 2.84Å; K801-I806 PolarHBondContact O-N 3.47Å; K801-I806 VanDerWaalsContact O-N 3.08Å
802	K	89.1	Confident	89.6	Confident	66 Å²	66	44.8 Å²	44.8	29%	0.287	22%	0.223	S	C	.	.	I	π-helix	trans	-63.2	-57.9	178.4	-68.2	-177.7	-173.4	-170	0	111.4	P163 D164 E798 A799 I806 F807	P163-K802 HydrophobicContact CG-CB 3.91Å; P163-K802 HydrophobicContact CG-CD 4.16Å; P163-K802 HydrophobicContact CG-CG 3.88Å; D164-K802 WeakPolarHBondContact OD1-CE 3.37Å; D164-K802 IonicContact OD1-NZ 2.94Å; D164-K802 PolarHBondContact OD1-NZ 3.12Å; D164-K802 IonicContact OD2-NZ 3.54Å; D164-K802 PolarHBondContact OD2-NZ 3.19Å; E798-K802 WeakPolarHBondContact O-CG 3.37Å; E798-K802 PolarHBondContact O-N 3.2Å; A799-K802 WeakPolarHBondContact O-CB 3.47Å; A799-K802 PolarHBondContact O-N 3.38Å; A799-K802 VanDerWaalsContact O-N 3.08Å; K802-I806 PolarHBondContact O-N 3.24Å; K802-F807 WeakPolarHBondContact O-CB 3.4Å; K802-F807 PolarHBondContact O-N 3.04Å
803	D	85.9	Confident	89.3	Confident	60 Å²	60	42 Å²	42	32%	0.321	21%	0.211	S	C	.	.	I	π-helix	trans	-64.6	-47	-174.8	-83.8	-50.5	0	0	0	113.4	H162 A799	H162-D803 IonicContact CD2-OD1 2.9Å; H162-D803 IonicContact NE2-OD1 2.84Å; A799-D803 WeakPolarHBondContact O-CB 3.28Å; A799-D803 PolarHBondContact O-N 3.02Å
804	N	84.6	Confident	88.8	Confident	61 Å²	61	42.5 Å²	42.5	33%	0.326	21%	0.214	S	C	.	.	I	π-helix	trans	-88.3	-29.8	-168.9	-64.4	-43.1	0	0	0	113.8	R742 A747 A800	R742-N804 WeakPolarHBondContact CD-O 3.34Å; R742-N804 PolarHBondContact NH1-O 3.36Å; A747-N804 HydrophobicContact CB-CB 4.23Å; A800-N804 VanDerWaalsContact O-CB 3.3Å; A800-N804 WeakPolarHBondContact O-CB 3.37Å; A800-N804 PolarHBondContact O-N 2.89Å; A800-N804 VanDerWaalsContact O-N 3.11Å; A800-N804 PolarHBondContact O-ND2 3.33Å
805	A	87.9	Confident	88.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	I	π-helix	trans	-116	-58.9	-174.1	0	0	0	0	0	112.9	R742 P744 A747 K801 Y808 N809	R742-A805 HydrophobicContact CB-CB 4.2Å; P744-A805 HydrophobicContact CB-CB 4.13Å; A747-A805 HydrophobicContact CB-CB 3.95Å; K801-A805 PolarHBondContact O-N 2.84Å; A805-Y808 PolarHBondContact O-N 3.44Å; A805-N809 WeakPolarHBondContact O-CB 3.18Å; A805-N809 PolarHBondContact O-N 3.44Å; A805-N809 PolarHBondContact O-ND2 2.86Å; A805-N809 PolarHBondContact O-OD1 2.87Å
806	I	88.7	Confident	87.7	Confident	61 Å²	61	42.6 Å²	42.6	31%	0.313	21%	0.209	S	C	.	.	I	π-helix	trans	-66.1	-45.7	-173.1	-58.6	171.8	0	0	0	111.1	P163 K801 K802 Y808 N809 N810	P163-I806 HydrophobicContact CB-CG2 3.96Å; P163-I806 HydrophobicContact CG-CB 4.34Å; P163-I806 HydrophobicContact CG-CG2 3.87Å; K801-I806 PolarHBondContact O-N 3.47Å; K801-I806 VanDerWaalsContact O-N 3.08Å; K802-I806 PolarHBondContact O-N 3.24Å; I806-Y808 PolarHBondContact O-N 3.24Å; I806-N809 PolarHBondContact O-N 2.91Å; I806-N810 WeakPolarHBondContact O-CB 3.34Å; I806-N810 PolarHBondContact O-N 2.83Å; I806-N810 PolarHBondContact O-ND2 3.01Å
807	F	90.5	Very high	87.4	Confident	1 Å²	1	40.5 Å²	40.5	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-43.4	176.1	178.1	-158.2	0	0	0	111.9	F148 K152 L157 R158 Y161 H162 K802 Y811	F148-F807 AromaticContact CE2-CD1 3.95Å; F148-F807 HydrophobicContact CE2-CD1 3.95Å; F148-F807 AromaticContact CE2-CD2 3.85Å; F148-F807 HydrophobicContact CE2-CD2 3.85Å; F148-F807 AromaticContact CE2-CE1 3.99Å; F148-F807 HydrophobicContact CE2-CE1 3.99Å; F148-F807 AromaticContact CE2-CE2 3.9Å; F148-F807 HydrophobicContact CE2-CE2 3.9Å; F148-F807 AromaticContact CE2-CG 3.88Å; F148-F807 HydrophobicContact CE2-CG 3.88Å; F148-F807 AromaticContact CE2-CZ 3.97Å; F148-F807 HydrophobicContact CE2-CZ 3.97Å; F148-F807 HydrophobicContact CZ-CB 4.3Å; F148-F807 AromaticContact CZ-CD1 3.57Å; F148-F807 HydrophobicContact CZ-CD1 3.57Å; F148-F807 HydrophobicContact CZ-CD2 4.23Å; F148-F807 AromaticContact CZ-CE1 3.87Å; F148-F807 HydrophobicContact CZ-CE1 3.87Å; F148-F807 HydrophobicContact CZ-CE2 4.49Å; F148-F807 AromaticContact CZ-CG 3.76Å; F148-F807 HydrophobicContact CZ-CG 3.76Å; F148-F807 HydrophobicContact CZ-CZ 4.33Å; K152-F807 HydrophobicContact CB-CE1 3.98Å; L157-F807 HydrophobicContact CB-CZ 4.45Å; L157-F807 HydrophobicContact CD2-CE2 4.41Å; L157-F807 HydrophobicContact CD2-CZ 4.1Å; L157-F807 HydrophobicContact CG-CE2 4.13Å; L157-F807 HydrophobicContact CG-CZ 4.11Å; L157-F807 WeakPolarHBondContact O-CE2 3.2Å; R158-F807 HydrophobicContact CB-CZ 4.45Å; R158-F807 HydrophobicContact CG-CE1 3.99Å; R158-F807 HydrophobicContact CG-CZ 3.77Å; Y161-F807 VanDerWaalsContact C-CD2 3.5Å; H162-F807 HydrophobicContact CB-CD2 4.23Å; H162-F807 HydrophobicContact CB-CE2 4.43Å; H162-F807 HydrophobicContact CB-CG 4.44Å; K802-F807 WeakPolarHBondContact O-CB 3.4Å; K802-F807 PolarHBondContact O-N 3.04Å; F807-Y811 PolarHBondContact O-N 3.17Å; F807-Y811 VanDerWaalsContact O-N 3.11Å
808	Y	89.3	Confident	87	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.6	-43.7	175.9	-174.3	-114.6	0	0	0	112.4	F148 R742 A805 I806 N810 Y811 L812	F148-Y808 HydrophobicContact CB-CD2 3.94Å; F148-Y808 HydrophobicContact CB-CE2 3.91Å; F148-Y808 AromaticContact CD1-CD2 3.53Å; F148-Y808 HydrophobicContact CD1-CD2 3.53Å; F148-Y808 HydrophobicContact CD1-CE2 4.21Å; F148-Y808 HydrophobicContact CD1-CG 4.37Å; F148-Y808 AromaticContact CD2-CD2 3.83Å; F148-Y808 HydrophobicContact CD2-CD2 3.83Å; F148-Y808 AromaticContact CE1-CD2 3.9Å; F148-Y808 HydrophobicContact CE1-CD2 3.9Å; F148-Y808 HydrophobicContact CE1-CG 4.33Å; F148-Y808 HydrophobicContact CE2-CD2 4.17Å; F148-Y808 AromaticContact CG-CD2 3.5Å; F148-Y808 HydrophobicContact CG-CD2 3.5Å; F148-Y808 VanDerWaalsContact CG-CD2 3.5Å; F148-Y808 HydrophobicContact CG-CE2 4.01Å; F148-Y808 HydrophobicContact CZ-CD2 4.2Å; R742-Y808 HydrophobicContact CB-CD1 4.39Å; R742-Y808 HydrophobicContact CG-CD1 3.74Å; R742-Y808 HydrophobicContact CG-CE1 4.18Å; A805-Y808 PolarHBondContact O-N 3.44Å; I806-Y808 PolarHBondContact O-N 3.24Å; Y808-N810 VanDerWaalsContact C-N 3.33Å; Y808-N810 PolarHBondContact O-N 3.14Å; Y808-Y811 HydrophobicContact CD2-CD1 4.06Å; Y808-Y811 HydrophobicContact CE2-CD1 4.04Å; Y808-Y811 HydrophobicContact CE2-CE1 4.27Å; Y808-Y811 CarbonylContact O-C 3.44Å; Y808-Y811 WeakPolarHBondContact O-CB 3.22Å; Y808-Y811 PolarHBondContact O-N 2.97Å; Y808-Y811 VanDerWaalsContact O-N 3.16Å; Y808-L812 HydrophobicContact CD1-CD1 3.98Å; Y808-L812 HydrophobicContact CD1-CG 4.26Å; Y808-L812 HydrophobicContact CE1-CD1 3.47Å; Y808-L812 VanDerWaalsContact CE1-CD1 3.47Å; Y808-L812 HydrophobicContact CE1-CD2 4.36Å; Y808-L812 HydrophobicContact CE1-CG 3.89Å; Y808-L812 HydrophobicContact CE2-CD2 4.41Å; Y808-L812 HydrophobicContact CE2-CG 4.41Å; Y808-L812 PolarHBondContact O-N 3.32Å
809	N	90.6	Very high	86.7	Confident	22 Å²	22	39 Å²	39	12%	0.118	20%	0.198	C	C	.	.	H	α-helix	trans	-65.6	-36.2	178.4	-65.9	-15.9	0	0	0	111.5	M741 R742 A805 I806 Y811 L812 K813	M741-N809 WeakPolarHBondContact CG-OD1 3.36Å; R742-N809 PolarHBondContact N-OD1 2.88Å; R742-N809 PolarHBondContact O-ND2 3.15Å; A805-N809 WeakPolarHBondContact O-CB 3.18Å; A805-N809 PolarHBondContact O-N 3.44Å; A805-N809 PolarHBondContact O-ND2 2.86Å; A805-N809 PolarHBondContact O-OD1 2.87Å; I806-N809 PolarHBondContact O-N 2.91Å; N809-Y811 VanDerWaalsContact C-N 3.34Å; N809-L812 PolarHBondContact O-N 3.5Å; N809-K813 WeakPolarHBondContact O-CG 3.38Å; N809-K813 PolarHBondContact O-N 3.1Å
810	N	89.4	Confident	86.3	Confident	26 Å²	26	39.2 Å²	39.2	14%	0.139	19%	0.194	C	C	.	.	H	α-helix	trans	-64.9	-37	172.7	-71.5	-16.6	0	0	0	112.4	Y161 M166 I806 Y808	Y161-N810 WeakPolarHBondContact CD1-O 3.49Å; Y161-N810 WeakPolarHBondContact O-CB 3.32Å; Y161-N810 PolarHBondContact O-ND2 3.48Å; Y161-N810 VanDerWaalsContact O-ND2 3.13Å; M166-N810 HydrophobicContact SD-CB 3.83Å; M166-N810 PolarHBondContact SD-ND2 3.07Å; I806-N810 WeakPolarHBondContact O-CB 3.34Å; I806-N810 PolarHBondContact O-N 2.83Å; I806-N810 PolarHBondContact O-ND2 3.01Å; Y808-N810 VanDerWaalsContact C-N 3.33Å; Y808-N810 PolarHBondContact O-N 3.14Å
811	Y	88.7	Confident	85.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.7	-32.8	171.8	165.6	-103.6	0	0	0	112.7	F147 F148 L157 Y161 F807 Y808 N809 R817 P818	F147-Y811 HydrophobicContact CD1-CE2 4.36Å; F147-Y811 VanDerWaalsContact CD1-OH 3.29Å; F147-Y811 WeakPolarHBondContact CD1-OH 3.1Å; F147-Y811 HydrophobicContact CE1-CE2 4.49Å; F148-Y811 HydrophobicContact CB-CD1 4.19Å; F148-Y811 HydrophobicContact CB-CE1 3.98Å; F148-Y811 AromaticContact CD2-CD1 3.86Å; F148-Y811 HydrophobicContact CD2-CD1 3.86Å; F148-Y811 HydrophobicContact CD2-CE1 4.42Å; F148-Y811 HydrophobicContact CD2-CG 4.06Å; F148-Y811 HydrophobicContact CG-CD1 4.37Å; L157-Y811 HydrophobicContact CD1-CD2 4.39Å; Y161-Y811 HydrophobicContact CD2-CD2 4.09Å; Y161-Y811 AromaticContact CE2-CD2 3.73Å; Y161-Y811 HydrophobicContact CE2-CD2 3.73Å; F807-Y811 PolarHBondContact O-N 3.17Å; F807-Y811 VanDerWaalsContact O-N 3.11Å; Y808-Y811 HydrophobicContact CD2-CD1 4.06Å; Y808-Y811 HydrophobicContact CE2-CD1 4.04Å; Y808-Y811 HydrophobicContact CE2-CE1 4.27Å; Y808-Y811 CarbonylContact O-C 3.44Å; Y808-Y811 WeakPolarHBondContact O-CB 3.22Å; Y808-Y811 PolarHBondContact O-N 2.97Å; Y808-Y811 VanDerWaalsContact O-N 3.16Å; N809-Y811 VanDerWaalsContact C-N 3.34Å; Y811-R817 HydrophobicContact CD2-CB 4.05Å; Y811-R817 HydrophobicContact CE2-CB 3.73Å; Y811-R817 HydrophobicContact CE2-CG 4.14Å; Y811-P818 PolarHBondContact OH-O 3.24Å
812	L	88	Confident	85.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-74.1	-29.4	174.4	-73.7	-172.1	0	0	0	114.4	M736 L739 Y808 N809 D814	M736-L812 HydrophobicContact CG-CB 4.37Å; L739-L812 HydrophobicContact CB-CD1 4.15Å; L739-L812 HydrophobicContact CB-CD2 3.89Å; L739-L812 HydrophobicContact CD1-CD2 4.26Å; Y808-L812 HydrophobicContact CD1-CD1 3.98Å; Y808-L812 HydrophobicContact CD1-CG 4.26Å; Y808-L812 HydrophobicContact CE1-CD1 3.47Å; Y808-L812 VanDerWaalsContact CE1-CD1 3.47Å; Y808-L812 HydrophobicContact CE1-CD2 4.36Å; Y808-L812 HydrophobicContact CE1-CG 3.89Å; Y808-L812 HydrophobicContact CE2-CD2 4.41Å; Y808-L812 HydrophobicContact CE2-CG 4.41Å; Y808-L812 PolarHBondContact O-N 3.32Å; N809-L812 PolarHBondContact O-N 3.5Å; L812-D814 PolarHBondContact O-N 3.44Å
813	K	85.9	Confident	84.6	Confident	78 Å²	78	40.2 Å²	40.2	34%	0.339	20%	0.203	S	C	.	.	H	α-helix	trans	-61.6	-29.7	176.3	-77.9	174.7	-176.5	174.5	0	113	L731 M736 N809 P815	L731-K813 PolarHBondContact N-O 3.47Å; M736-K813 HydrophobicContact CE-CG 4.13Å; M736-K813 HydrophobicContact SD-CB 4.42Å; M736-K813 HydrophobicContact SD-CD 4.37Å; M736-K813 HydrophobicContact SD-CG 3.36Å; M736-K813 WeakPolarHBondContact SD-CG 3.12Å; N809-K813 WeakPolarHBondContact O-CG 3.38Å; N809-K813 PolarHBondContact O-N 3.1Å; K813-P815 VanDerWaalsContact O-CD 3.28Å; K813-P815 WeakPolarHBondContact O-CD 3.36Å
814	D	82.4	Confident	84.1	Confident	30 Å²	30	39.5 Å²	39.5	16%	0.16	20%	0.202	C	C	.	.			trans	-79.6	114.1	-173	-172.1	-13.2	0	0	0	111.8	R160 Y161 L812 R816 R817	R160-D814 IonicContact CZ-OD2 2.87Å; R160-D814 IonicContact NE-OD2 3.58Å; R160-D814 IonicContact NH2-OD1 2.59Å; R160-D814 IonicContact NH2-OD2 3.7Å; R160-D814 PolarHBondContact NH2-OD2 2.92Å; Y161-D814 HydrophobicContact CE1-CB 3.77Å; Y161-D814 WeakPolarHBondContact CE1-OD2 3.4Å; Y161-D814 PolarHBondContact OH-OD2 2.92Å; L812-D814 PolarHBondContact O-N 3.44Å; D814-R816 VanDerWaalsContact C-N 3.25Å; D814-R816 PolarHBondContact O-N 2.89Å; D814-R816 WeakPolarHBondContact OD1-CA 3.33Å; D814-R816 PolarHBondContact OD1-N 3.45Å; D814-R817 HydrophobicContact CB-CB 4.17Å; D814-R817 WeakPolarHBondContact O-CB 3.4Å; D814-R817 PolarHBondContact O-N 2.89Å; D814-R817 PolarHBondContact O-NH1 2.91Å; D814-R817 PolarHBondContact OD1-N 2.97Å
815	P	80	Confident	83.3	Confident	51 Å²	51	44.7 Å²	44.7	33%	0.331	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-22.2	176.3	29.3	-35	0	0	0	112.6	P728 L731 K813	P728-P815 HydrophobicContact CB-CB 4.36Å; P728-P815 HydrophobicContact CB-CG 3.57Å; L731-P815 HydrophobicContact CD1-CB 3.91Å; K813-P815 VanDerWaalsContact O-CD 3.28Å; K813-P815 WeakPolarHBondContact O-CD 3.36Å
816	R	79.3	Confident	82.7	Confident	137 Å²	137	51.8 Å²	51.8	52%	0.517	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	37.2	174.5	-62.9	-172.3	-177.2	167.8	6.7	111.3	R160 D814	R160-R816 PolarHBondContact NH2-O 3.48Å; D814-R816 VanDerWaalsContact C-N 3.25Å; D814-R816 PolarHBondContact O-N 2.89Å; D814-R816 WeakPolarHBondContact OD1-CA 3.33Å; D814-R816 PolarHBondContact OD1-N 3.45Å
817	R	85.3	Confident	82	Confident	45 Å²	45	49.5 Å²	49.5	17%	0.17	24%	0.24	C	C	.	.			trans	-61.3	139.2	175.6	69.1	-171.8	173.6	-77.2	-4.9	111.8	Y811 D814	Y811-R817 HydrophobicContact CD2-CB 4.05Å; Y811-R817 HydrophobicContact CE2-CB 3.73Å; Y811-R817 HydrophobicContact CE2-CG 4.14Å; D814-R817 HydrophobicContact CB-CB 4.17Å; D814-R817 WeakPolarHBondContact O-CB 3.4Å; D814-R817 PolarHBondContact O-N 2.89Å; D814-R817 PolarHBondContact O-NH1 2.91Å; D814-R817 PolarHBondContact OD1-N 2.97Å
818	P	83.6	Confident	81.2	Confident	14 Å²	14	50.5 Å²	50.5	9%	0.091	25%	0.245	C	C	.	.			trans	-55	140.4	172	-24.2	31.6	0	0	0	112.2	F147 W156 Y161 Y811	F147-P818 HydrophobicContact CE1-CB 4.14Å; F147-P818 VanDerWaalsContact CE1-O 3.3Å; F147-P818 WeakPolarHBondContact CE1-O 3.38Å; F147-P818 HydrophobicContact CZ-CB 4.22Å; W156-P818 HydrophobicContact CH2-CB 3.7Å; W156-P818 HydrophobicContact CH2-CG 3.99Å; W156-P818 HydrophobicContact CZ3-CB 3.86Å; W156-P818 HydrophobicContact CZ3-CG 3.63Å; Y161-P818 WeakPolarHBondContact OH-CD 3.43Å; Y811-P818 PolarHBondContact OH-O 3.24Å
819	S	82.7	Confident	80.5	Confident	54 Å²	54	55.6 Å²	55.6	38%	0.378	27%	0.272	S	S	.	.			trans	-156.9	168.4	169.7	61	0	0	0	0	110.4	P461	P461-S819 WeakPolarHBondContact CB-O 3.19Å
820	L	82.3	Confident	79.8	Confident	45 Å²	45	58.9 Å²	58.9	24%	0.236	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-68.2	139	172.1	-77.5	164.5	0	0	0	110.6	R106 F147 F465	R106-L820 HydrophobicContact CB-CB 4.04Å; F147-L820 HydrophobicContact CD2-CG 4.29Å; F147-L820 HydrophobicContact CE2-CG 4.32Å; F465-L820 HydrophobicContact CE2-CD2 3.81Å; F465-L820 HydrophobicContact CE2-CG 4.3Å
821	P	79.2	Confident	79	Confident	38 Å²	38	59.5 Å²	59.5	25%	0.247	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-62.1	146	176.4	26.8	-33.9	0	0	0	111	Y105 R106	Y105-P821 WeakPolarHBondContact CA-O 3.35Å; Y105-P821 HydrophobicContact CD1-CB 4.4Å; Y105-P821 HydrophobicContact CD1-CG 3.97Å; Y105-P821 HydrophobicContact CE1-CG 4.23Å; R106-P821 PolarHBondContact N-O 2.98Å
822	E	75.8	Confident	78.4	Confident	116 Å²	116	61.9 Å²	61.9	54%	0.542	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-67.3	136	177.2	-173.7	165.6	-155.1	0	0	110.9	P108 V109	P108-E822 WeakPolarHBondContact CA-OE1 3.41Å; P108-E822 HydrophobicContact CB-CG 4.42Å; V109-E822 PolarHBondContact N-OE1 2.73Å; V109-E822 VanDerWaalsContact N-OE1 3.17Å
823	A	76.1	Confident	77.6	Confident	5 Å²	5	66.3 Å²	66.3	4%	0.041	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-58	127.8	179.5	0	0	0	0	0	111.5	Y105 R106 P108 Y825 L827 Y831	Y105-A823 HydrophobicContact CG-CB 4.23Å; R106-A823 WeakPolarHBondContact O-CB 3.42Å; R106-A823 PolarHBondContact O-N 2.89Å; P108-A823 HydrophobicContact CG-CB 4.49Å; A823-Y825 PolarHBondContact O-N 3.09Å; A823-L827 HydrophobicContact CB-CB 4.46Å; A823-L827 HydrophobicContact CB-CD1 4.34Å; A823-Y831 HydrophobicContact CB-CD2 4.3Å; A823-Y831 HydrophobicContact CB-CE2 3.56Å
824	P	74.9	Confident	76.4	Confident	46 Å²	46	64.9 Å²	64.9	30%	0.299	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-59.6	137.6	179	23.8	-34.4	0	0	0	111	H826 L827	P824-H826 PolarHBondContact O-N 3.24Å; P824-L827 HydrophobicContact CG-CD1 4.09Å; P824-L827 HydrophobicContact CG-CG 4.37Å; P824-L827 WeakPolarHBondContact O-CB 3.43Å; P824-L827 PolarHBondContact O-N 2.73Å
825	Y	69.4	Low	75.4	Confident	170 Å²	170	70.2 Å²	70.2	67%	0.667	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-54.8	-20.3	-161.8	-149.2	-90.2	0	0	0	115.9	A823 L827 L828	A823-Y825 PolarHBondContact O-N 3.09Å; Y825-L827 PolarHBondContact O-N 2.77Å; Y825-L828 HydrophobicContact CD1-CD2 4.16Å; Y825-L828 HydrophobicContact CE1-CD2 3.57Å; Y825-L828 HydrophobicContact CE2-CD2 4.43Å; Y825-L828 WeakPolarHBondContact O-CB 3.3Å; Y825-L828 PolarHBondContact O-N 3.44Å
826	H	75.7	Confident	74.3	Confident	149 Å²	149	74.9 Å²	74.9	69%	0.69	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-66.5	-24.1	174.3	66.9	-96.7	0	0	0	113.3	P824 L828	P824-H826 PolarHBondContact O-N 3.24Å; H826-L828 VanDerWaalsContact C-N 3.28Å; H826-L828 PolarHBondContact O-N 2.87Å
827	L	73.9	Confident	72.9	Confident	12 Å²	12	72.4 Å²	72.4	6%	0.063	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-78.8	-6.2	174.8	-58.8	-178.5	0	0	0	113.3	Y105 A823 P824 Y825 N829 Q830 Y831	Y105-L827 HydrophobicContact CD2-CD1 4.13Å; Y105-L827 HydrophobicContact CE2-CD1 4.32Å; A823-L827 HydrophobicContact CB-CB 4.46Å; A823-L827 HydrophobicContact CB-CD1 4.34Å; P824-L827 HydrophobicContact CG-CD1 4.09Å; P824-L827 HydrophobicContact CG-CG 4.37Å; P824-L827 WeakPolarHBondContact O-CB 3.43Å; P824-L827 PolarHBondContact O-N 2.73Å; Y825-L827 PolarHBondContact O-N 2.77Å; L827-N829 PolarHBondContact O-N 3.35Å; L827-N829 VanDerWaalsContact O-N 3.12Å; L827-Q830 WeakPolarHBondContact O-CA 3.44Å; L827-Q830 WeakPolarHBondContact O-CB 3.49Å; L827-Q830 PolarHBondContact O-N 2.85Å; L827-Y831 HydrophobicContact CB-CD2 4.24Å; L827-Y831 HydrophobicContact CB-CE2 4.01Å; L827-Y831 WeakPolarHBondContact O-CD2 3.08Å; L827-Y831 PolarHBondContact O-N 3.49Å
828	L	73	Confident	71.2	Confident	22 Å²	22	77.7 Å²	77.7	12%	0.115	41%	0.411	C	S	.	.	H	α-helix	trans	-55.1	-35.3	-176	-178.2	66.9	0	0	0	113.6	P108 P111 Y825 H826 Q830 Y832	P108-L828 HydrophobicContact CB-CD1 4.15Å; P108-L828 HydrophobicContact CG-CD1 3.59Å; P111-L828 HydrophobicContact CG-CD2 4.29Å; Y825-L828 HydrophobicContact CD1-CD2 4.16Å; Y825-L828 HydrophobicContact CE1-CD2 3.57Å; Y825-L828 HydrophobicContact CE2-CD2 4.43Å; Y825-L828 WeakPolarHBondContact O-CB 3.3Å; Y825-L828 PolarHBondContact O-N 3.44Å; H826-L828 VanDerWaalsContact C-N 3.28Å; H826-L828 PolarHBondContact O-N 2.87Å; L828-Q830 VanDerWaalsContact C-N 3.33Å; L828-Y832 HydrophobicContact CD1-CD2 3.79Å; L828-Y832 HydrophobicContact CD1-CE2 4.34Å; L828-Y832 PolarHBondContact O-N 3.48Å
829	N	73.7	Confident	69.5	Low	108 Å²	108	82.2 Å²	82.2	58%	0.578	44%	0.443	S	S	*	.	H	α-helix	trans	-77.1	-14.2	176.9	-80.3	-28.6	0	0	0	114.2	R114 L827 P833	R114-N829 PolarHBondContact NH2-OD1 3.21Å; R114-N829 VanDerWaalsContact NH2-OD1 3.08Å; L827-N829 PolarHBondContact O-N 3.35Å; L827-N829 VanDerWaalsContact O-N 3.12Å; N829-P833 WeakPolarHBondContact O-CA 3.48Å
830	Q	76.6	Confident	67.8	Low	91 Å²	91	86.9 Å²	86.9	43%	0.425	46%	0.463	S	S	.	.	H	α-helix	trans	-81.4	-43.6	173.5	-179.6	172.9	-28.9	0	0	110.7	L827 L828	L827-Q830 WeakPolarHBondContact O-CA 3.44Å; L827-Q830 WeakPolarHBondContact O-CB 3.49Å; L827-Q830 PolarHBondContact O-N 2.85Å; L828-Q830 VanDerWaalsContact C-N 3.33Å
831	Y	72.2	Confident	66.1	Low	39 Å²	39	91.8 Å²	91.8	15%	0.153	49%	0.49	C	S	.	.	H	α-helix	trans	-71.7	-40.3	173.2	-67	-79.1	0	0	0	112.3	P107 P108 A823 L827	P107-Y831 HydrophobicContact CB-CD1 3.74Å; P107-Y831 HydrophobicContact CB-CE1 3.92Å; P107-Y831 HydrophobicContact CB-CG 4.3Å; P107-Y831 HydrophobicContact CG-CD1 4.02Å; P107-Y831 HydrophobicContact CG-CE1 3.83Å; P108-Y831 HydrophobicContact CG-CD2 4.11Å; P108-Y831 HydrophobicContact CG-CG 4.49Å; A823-Y831 HydrophobicContact CB-CD2 4.3Å; A823-Y831 HydrophobicContact CB-CE2 3.56Å; L827-Y831 HydrophobicContact CB-CD2 4.24Å; L827-Y831 HydrophobicContact CB-CE2 4.01Å; L827-Y831 WeakPolarHBondContact O-CD2 3.08Å; L827-Y831 PolarHBondContact O-N 3.49Å
832	Y	77	Confident	64.5	Low	50 Å²	50	97.9 Å²	97.9	20%	0.196	52%	0.52	C	S	.	.	S	Bend	trans	-126.9	77	-178.6	-51.9	-55	0	0	0	111.8	P108 I110 R114 L828 S834	P108-Y832 HydrophobicContact CG-CE2 4.14Å; P108-Y832 VanDerWaalsContact O-CE2 3.31Å; P108-Y832 WeakPolarHBondContact O-CE2 3.42Å; P108-Y832 PolarHBondContact O-OH 3.35Å; I110-Y832 HydrophobicContact CB-CE2 4.39Å; I110-Y832 HydrophobicContact CD1-CD1 4.33Å; I110-Y832 HydrophobicContact CD1-CE1 3.88Å; I110-Y832 HydrophobicContact CG1-CD1 4.01Å; I110-Y832 HydrophobicContact CG1-CD2 3.98Å; I110-Y832 HydrophobicContact CG1-CE1 3.58Å; I110-Y832 HydrophobicContact CG1-CE2 3.52Å; I110-Y832 HydrophobicContact CG1-CG 4.22Å; R114-Y832 VanDerWaalsContact CZ-O 3.31Å; R114-Y832 PolarHBondContact NH1-O 3.01Å; R114-Y832 PolarHBondContact NH2-O 3.44Å; L828-Y832 HydrophobicContact CD1-CD2 3.79Å; L828-Y832 HydrophobicContact CD1-CE2 4.34Å; L828-Y832 PolarHBondContact O-N 3.48Å; Y832-S834 PolarHBondContact O-N 3.38Å
833	P	70.6	Confident	62.9	Low	92 Å²	92	99.2 Å²	99.2	60%	0.597	53%	0.531	S	S	*	.			trans	-56.6	136.7	171.3	24.4	-34.2	0	0	0	110.6	N829	N829-P833 WeakPolarHBondContact O-CA 3.48Å
834	S	61.2	Low	61.3	Low	49 Å²	49	108.2 Å²	108.2	34%	0.343	57%	0.572	S	S	.	*			trans	-77.6	129.7	178.4	-176.9	0	0	0	0	110.7	Y832 N836 S837	Y832-S834 PolarHBondContact O-N 3.38Å; S834-N836 PolarHBondContact O-N 3.13Å; S834-N836 VanDerWaalsContact O-N 3.11Å; S834-S837 WeakPolarHBondContact O-CB 3.37Å; S834-S837 PolarHBondContact O-N 2.87Å
835	L	60.2	Low	59.7	Low	142 Å²	142	112.4 Å²	112.4	74%	0.743	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-53	-34	-177.9	-67.6	166.9	0	0	0	112.9	S837	L835-S837 VanDerWaalsContact C-N 3.26Å; L835-S837 PolarHBondContact O-N 3.28Å
836	N	58	Low	58.4	Low	149 Å²	149	115.7 Å²	115.7	80%	0.797	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-73.7	-6.8	-178.3	-71	-1.8	0	0	0	114.9	S834 N838	S834-N836 PolarHBondContact O-N 3.13Å; S834-N836 VanDerWaalsContact O-N 3.11Å; N836-N838 VanDerWaalsContact C-N 3.35Å; N836-N838 PolarHBondContact O-N 2.59Å
837	S	49.8	Very low	56.7	Low	84 Å²	84	120.7 Å²	120.7	59%	0.587	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-75.9	-19.7	-175.8	-159	0	0	0	0	114	S834 L835 S839	S834-S837 WeakPolarHBondContact O-CB 3.37Å; S834-S837 PolarHBondContact O-N 2.87Å; L835-S837 VanDerWaalsContact C-N 3.26Å; L835-S837 PolarHBondContact O-N 3.28Å; S837-S839 PolarHBondContact O-N 2.84Å
838	N	49.7	Very low	54.9	Low	156 Å²	156	123.9 Å²	123.9	83%	0.834	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-83.1	0.9	-162	-116.4	6.9	0	0	0	116.6	N836	N836-N838 VanDerWaalsContact C-N 3.35Å; N836-N838 PolarHBondContact O-N 2.59Å
839	S	46.7	Very low	53.2	Low	110 Å²	110	134.2 Å²	134.2	77%	0.769	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-92.5	-16.8	-173.1	-67.8	0	0	0	0	116.6	S837	S837-S839 PolarHBondContact O-N 2.84Å
840	N	47.3	Very low	51.4	Low	151 Å²	151	132.8 Å²	132.8	81%	0.807	71%	0.708	S	S	*	*	S	Bend	trans	-112.3	-1.7	-162.5	-85.7	-20.5	0	0	0	117.6	N842	N840-N842 PolarHBondContact O-N 3.19Å
841	N	47.2	Very low	49.8	Very low	149 Å²	149	133.6 Å²	133.6	80%	0.797	72%	0.723	S	S	*	*			trans	-91.1	12.2	-170.2	-83.7	-27	0	0	0	116.6	N843	N841-N843 PolarHBondContact O-N 3.07Å
842	N	44.5	Very low	48.1	Very low	165 Å²	165	135.4 Å²	135.4	88%	0.882	75%	0.753	S	S	*	*			trans	-93.7	16.6	-170.1	-108.4	-8	0	0	0	116.4	N840	N840-N842 PolarHBondContact O-N 3.19Å
843	N	42.8	Very low	46.4	Very low	145 Å²	145	145 Å²	145	78%	0.775	79%	0.789	S	S	*	*			trans	-140.6	93.5	-178.8	-93.7	-46.1	0	0	0	112.6	N841	N841-N843 PolarHBondContact O-N 3.07Å
844	H	42.2	Very low	44.9	Very low	193 Å²	193	144.3 Å²	144.3	89%	0.894	80%	0.799	S	S	*	*			trans	-172.8	55.9	152.5	-111.6	65.7	0	0	0	115.5
845	T	42.6	Very low	43.7	Very low	135 Å²	135	149.3 Å²	149.3	83%	0.828	82%	0.821	S	S	*	*			trans	-134.5	33.6	-179.2	41.8	0	0	0	0	116.6
846	Y	41.1	Very low	42.8	Very low	238 Å²	238	148.4 Å²	148.4	93%	0.933	82%	0.822	S	S	*	*			trans	-140.9	100.9	159.7	-92.3	-72.5	0	0	0	112.7
847	R	40.4	Very low	41.8	Very low	254 Å²	254	145.3 Å²	145.3	96%	0.958	83%	0.825	S	S	*	*			trans	-92	141.3	162.9	-93.4	-169.6	174.7	-164.8	0.8	110
848	G	36	Very low	41.2	Very low	80 Å²	80	145.3 Å²	145.3	83%	0.825	84%	0.839	S	S	*	*			trans	90.5	78	144.8	0	0	0	0	0	118.2
849	R	37.9	Very low	40.5	Very low	238 Å²	238	143 Å²	143	90%	0.898	84%	0.835	S	S	*	*			trans	-143.7	85.7	142.9	-143.3	178.7	-154.6	-102.3	4.1	111.4
850	G	35.8	Very low	40	Very low	79 Å²	79	147.1 Å²	147.1	81%	0.814	84%	0.835	S	S	*	*			trans	-73.6	129.8	171.2	0	0	0	0	0	111
851	S	41.6	Very low	39.4	Very low	108 Å²	108	150.7 Å²	150.7	76%	0.755	84%	0.837	S	S	*	*			trans	-134.3	112.5	161.1	-71.7	0	0	0	0	106.4
852	G	37.6	Very low	38.8	Very low	76 Å²	76	146.9 Å²	146.9	78%	0.784	83%	0.833	S	S	*	*			trans	-85.2	167	-167.1	0	0	0	0	0	114.2
853	R	40.8	Very low	38.5	Very low	252 Å²	252	149.1 Å²	149.1	95%	0.951	83%	0.831	S	S	*	*			trans	-165.2	127	160.2	-108.1	167.6	-171.1	-111	1.2	109.5
854	G	38.7	Very low	38.2	Very low	77 Å²	77	153.2 Å²	153.2	79%	0.794	84%	0.835	S	S	*	*			trans	73.6	160.2	177	0	0	0	0	0	114.9
855	N	37.8	Very low	38	Very low	154 Å²	154	150 Å²	150	82%	0.824	83%	0.825	S	S	*	*			cis	-146.7	166.6	-14.2	-158.2	27.9	0	0	0	111.5
856	T	40.3	Very low	37.5	Very low	124 Å²	124	150.1 Å²	150.1	76%	0.761	82%	0.82	S	S	*	*			trans	-54.4	130.7	-173.5	46.3	0	0	0	0	117
857	G	37.5	Very low	37.2	Very low	83 Å²	83	144.3 Å²	144.3	86%	0.856	82%	0.815	S	S	*	*				87.7	172.2	122.5	0	0	0	0	0	119.4
858	G	36.6	Very low	36.9	Very low	85 Å²	85	139.4 Å²	139.4	88%	0.876	81%	0.807	S	S	*	*			trans	102.1	100.5	165.6	0	0	0	0	0	115.9
859	S	34.6	Very low	36.8	Very low	108 Å²	108	142.6 Å²	142.6	76%	0.755	80%	0.804	S	S	*	*			trans	-87.1	170.1	164.1	-173	0	0	0	0	111.1
860	Y	35.7	Very low	36.6	Very low	196 Å²	196	136.7 Å²	136.7	77%	0.769	80%	0.799	S	S	*	*			trans	81.1	124.6	171.1	-77.5	-100.1	0	0	0	121.5
861	R	35	Very low	36.6	Very low	225 Å²	225	139.1 Å²	139.1	85%	0.849	80%	0.799	S	S	*	*			trans	70.4	137.4	144.5	-72.5	172	176	-173.3	-0.5	121.4
862	G	36.3	Very low	36	Very low	70 Å²	70	138.5 Å²	138.5	72%	0.722	80%	0.8	S	S	*	*			trans	144.9	69.6	168.4	0	0	0	0	0	113.1
863	Y	37.9	Very low	35.9	Very low	211 Å²	211	140.3 Å²	140.3	83%	0.827	80%	0.798	S	S	*	*				48.8	102.3	90.2	-85.5	-78.5	0	0	0	117
864	R	35.9	Very low	35.4	Very low	231 Å²	231	133.4 Å²	133.4	87%	0.872	79%	0.788	S	S	*	*			trans	160.9	143.6	132.4	-87.9	177.6	-175	-154	2.4	108.5
865	N	37.4	Very low	35.3	Very low	125 Å²	125	139.4 Å²	139.4	67%	0.668	79%	0.788	S	S	*	*	S	Bend	cis	-162.8	151.3	-16.5	-102.9	3.9	0	0	0	105
866	N	32.9	Very low	35.1	Very low	138 Å²	138	138.2 Å²	138.2	74%	0.738	79%	0.786	S	S	*	*			cis	-130.7	155.7	0.4	-83.4	-32.2	0	0	0	109.6
867	S	33.6	Very low	34.9	Very low	116 Å²	116	144.1 Å²	144.1	81%	0.811	80%	0.795	S	S	*	*			trans	-118.3	128.9	156.7	179.5	0	0	0	0	108.2
868	L	34.4	Very low	34.7	Very low	152 Å²	152	143.6 Å²	143.6	80%	0.796	79%	0.789	S	S	*	*			trans	-131.8	126.7	161.8	-77.6	177.8	0	0	0	108.6
869	L	34.9	Very low	34.7	Very low	146 Å²	146	145.3 Å²	145.3	76%	0.764	80%	0.795	S	S	*	*			trans	13.6	117.2	156	-72.1	54.2	0	0	0	115.9
870	S	33.6	Very low	34.8	Very low	114 Å²	114	142 Å²	142	80%	0.797	78%	0.778	S	S	*	*				55	65.3	71.7	-171.3	0	0	0	0	113.6
871	T	34.9	Very low	35.3	Very low	131 Å²	131	137.6 Å²	137.6	80%	0.804	78%	0.776	S	S	*	*			trans	-164.3	145	144.5	-72.3	0	0	0	0	107.3
872	A	29.1	Very low	35.7	Very low	94 Å²	94	134.2 Å²	134.2	78%	0.777	77%	0.768	S	S	*	*			trans	-82.6	139.5	175.3	0	0	0	0	0	110.8
873	P	35.5	Very low	36.2	Very low	115 Å²	115	136.5 Å²	136.5	75%	0.747	76%	0.759	S	S	*	*			trans	-138.1	162.3	136	37.8	-26.8	0	0	0	113.8
874	S	31.5	Very low	36.8	Very low	106 Å²	106	130.1 Å²	130.1	74%	0.741	74%	0.739	S	S	*	*			trans	-82.7	117.5	174.2	50.5	0	0	0	0	113
875	Y	36	Very low	38.1	Very low	204 Å²	204	127.7 Å²	127.7	80%	0.8	73%	0.732	S	S	*	*			trans	-150.3	138.3	153.1	-83.7	-78.7	0	0	0	106.1
876	V	34.1	Very low	39.3	Very low	128 Å²	128	128.5 Å²	128.5	78%	0.776	73%	0.726	S	S	*	*			cis	68.4	62.4	30.6	-164.3	0	0	0	0	112.9
877	R	36.3	Very low	40.9	Very low	249 Å²	249	125.9 Å²	125.9	94%	0.94	71%	0.712	S	S	*	*			trans	-176.6	142	155.6	-99.8	171	-166.4	-143.8	3.3	107
878	G	33.3	Very low	42.8	Very low	72 Å²	72	124.4 Å²	124.4	74%	0.742	70%	0.698	S	S	*	*			cis	-172.2	107.2	-10.9	0	0	0	0	0	108.9
879	A	35.2	Very low	44.7	Very low	120 Å²	120	119.1 Å²	119.1	99%	0.992	68%	0.676	S	S	*	*	S	Bend	trans	-104.3	47.2	177.1	0	0	0	0	0	110.4
880	G	36.7	Very low	46.4	Very low	40 Å²	40	114.3 Å²	114.3	41%	0.412	66%	0.657	S	S	.	*			trans	-133.2	109.2	174.6	0	0	0	0	0	107.7	D884	G880-D884 VanDerWaalsContact C-CG 3.47Å; G880-D884 WeakPolarHBondContact CA-OD1 3.39Å
881	S	47.3	Very low	48.4	Very low	102 Å²	102	114.2 Å²	114.2	71%	0.713	65%	0.645	S	S	*	*	S	Bend	trans	-179.3	-17.2	-177.6	-174.8	0	0	0	0	112.6	D884	S881-D884 PolarHBondContact N-OD1 3.41Å
882	F	42	Very low	50.4	Low	155 Å²	155	113.7 Å²	113.7	68%	0.68	63%	0.633	S	S	*	*	S	Bend	trans	-107.2	-46	173.1	-168.2	-100.8	0	0	0	111.2	Y885 Y886	F882-Y885 PolarHBondContact O-N 3.38Å; F882-Y886 AromaticContact CE1-CE2 3.92Å; F882-Y886 HydrophobicContact CE1-CE2 3.92Å; F882-Y886 AromaticContact CZ-CE2 3.97Å; F882-Y886 HydrophobicContact CZ-CE2 3.97Å
883	Q	48.4	Very low	52.7	Low	118 Å²	118	116 Å²	116	55%	0.551	63%	0.628	S	S	*	*	H	α-helix	trans	-63.3	-45.2	173.4	-159.7	64.4	31.3	0	0	111.1	Y885 Y886 D887	Q883-Y885 PolarHBondContact O-N 3.43Å; Q883-Y886 WeakPolarHBondContact O-CA 3.48Å; Q883-Y886 WeakPolarHBondContact O-CB 3.47Å; Q883-Y886 PolarHBondContact O-N 3.34Å; Q883-D887 PolarHBondContact O-N 2.92Å
884	D	50.7	Low	54.6	Low	76 Å²	76	116.5 Å²	116.5	41%	0.406	62%	0.62	S	S	.	*	H	α-helix	trans	-53.7	-30.3	177.2	-49.5	52.4	0	0	0	112.8	G880 S881 V888	G880-D884 VanDerWaalsContact C-CG 3.47Å; G880-D884 WeakPolarHBondContact CA-OD1 3.39Å; S881-D884 PolarHBondContact N-OD1 3.41Å; D884-V888 WeakPolarHBondContact O-CB 3.35Å; D884-V888 WeakPolarHBondContact O-CG2 3.45Å; D884-V888 PolarHBondContact O-N 2.9Å
885	Y	61.3	Low	56.9	Low	181 Å²	181	117.7 Å²	117.7	71%	0.71	61%	0.614	S	S	*	*	H	α-helix	trans	-71.8	-35.9	177.1	-162.2	-84.1	0	0	0	111.8	F882 Q883 A889	F882-Y885 PolarHBondContact O-N 3.38Å; Q883-Y885 PolarHBondContact O-N 3.43Å; Y885-A889 VanDerWaalsContact O-CB 3.26Å; Y885-A889 WeakPolarHBondContact O-CB 3.41Å; Y885-A889 PolarHBondContact O-N 2.78Å; Y885-A889 VanDerWaalsContact O-N 3.08Å
886	Y	63.6	Low	59	Low	142 Å²	142	113.3 Å²	113.3	56%	0.557	60%	0.6	S	S	*	*	H	α-helix	trans	-75.8	-39.3	173.1	-76.3	-83.3	0	0	0	111.9	F882 Q883 A889 A890	F882-Y886 AromaticContact CE1-CE2 3.92Å; F882-Y886 HydrophobicContact CE1-CE2 3.92Å; F882-Y886 AromaticContact CZ-CE2 3.97Å; F882-Y886 HydrophobicContact CZ-CE2 3.97Å; Q883-Y886 WeakPolarHBondContact O-CA 3.48Å; Q883-Y886 WeakPolarHBondContact O-CB 3.47Å; Q883-Y886 PolarHBondContact O-N 3.34Å; Y886-A889 PolarHBondContact O-N 3.45Å; Y886-A890 WeakPolarHBondContact O-CB 3.46Å; Y886-A890 PolarHBondContact O-N 2.81Å
887	D	66.9	Low	61	Low	83 Å²	83	109.9 Å²	109.9	44%	0.444	59%	0.586	S	S	.	*	H	α-helix	trans	-67.7	-39.6	177.6	-65.4	-30.4	0	0	0	111.5	Q883 A890 Q891	Q883-D887 PolarHBondContact O-N 2.92Å; D887-A890 PolarHBondContact O-N 3.31Å; D887-Q891 WeakPolarHBondContact O-CB 3.43Å; D887-Q891 WeakPolarHBondContact O-CG 3.46Å; D887-Q891 PolarHBondContact O-N 3.08Å
888	V	73.8	Confident	63	Low	85 Å²	85	104.4 Å²	104.4	52%	0.515	57%	0.573	S	S	.	*	H	α-helix	trans	-66.8	-39.1	171.8	169.5	0	0	0	0	111.4	D884 Q891 Q892	D884-V888 WeakPolarHBondContact O-CB 3.35Å; D884-V888 WeakPolarHBondContact O-CG2 3.45Å; D884-V888 PolarHBondContact O-N 2.9Å; V888-Q891 PolarHBondContact O-N 3.35Å; V888-Q892 VanDerWaalsContact O-CB 3.25Å; V888-Q892 WeakPolarHBondContact O-CB 3.24Å; V888-Q892 PolarHBondContact O-N 3.11Å
889	A	73.9	Confident	65	Low	40 Å²	40	102.3 Å²	102.3	33%	0.331	55%	0.548	S	S	.	.	H	α-helix	trans	-64.9	-38.7	174.5	0	0	0	0	0	112.3	Y885 Y886 Q892 Q893	Y885-A889 VanDerWaalsContact O-CB 3.26Å; Y885-A889 WeakPolarHBondContact O-CB 3.41Å; Y885-A889 PolarHBondContact O-N 2.78Å; Y885-A889 VanDerWaalsContact O-N 3.08Å; Y886-A889 PolarHBondContact O-N 3.45Å; A889-Q892 PolarHBondContact O-N 2.82Å; A889-Q893 PolarHBondContact O-N 2.84Å
890	A	71	Confident	67	Low	45 Å²	45	98.9 Å²	98.9	37%	0.372	52%	0.52	S	S	.	.	H	α-helix	trans	-67.4	-44.4	175.2	0	0	0	0	0	111.7	Y886 D887 Q892 Q893 Q894	Y886-A890 WeakPolarHBondContact O-CB 3.46Å; Y886-A890 PolarHBondContact O-N 2.81Å; D887-A890 PolarHBondContact O-N 3.31Å; A890-Q892 VanDerWaalsContact C-N 3.3Å; A890-Q892 PolarHBondContact O-N 2.93Å; A890-Q893 PolarHBondContact O-N 3.19Å; A890-Q894 WeakPolarHBondContact O-CG 3.41Å; A890-Q894 PolarHBondContact O-N 3.37Å
891	Q	74	Confident	68.9	Low	113 Å²	113	102 Å²	102	53%	0.528	53%	0.531	S	S	.	.	H	α-helix	trans	-61.7	-37.3	172	-75.1	178.8	0.8	0	0	111.8	D887 V888 Q894 H895	D887-Q891 WeakPolarHBondContact O-CB 3.43Å; D887-Q891 WeakPolarHBondContact O-CG 3.46Å; D887-Q891 PolarHBondContact O-N 3.08Å; V888-Q891 PolarHBondContact O-N 3.35Å; Q891-Q894 PolarHBondContact O-N 3.3Å; Q891-H895 WeakPolarHBondContact O-CB 3.46Å; Q891-H895 PolarHBondContact O-CD2 2.68Å; Q891-H895 PolarHBondContact O-N 2.9Å
892	Q	77.7	Confident	70.2	Confident	119 Å²	119	99 Å²	99	56%	0.556	51%	0.512	S	S	*	.	H	α-helix	trans	-68.5	-38.7	176.1	-167.7	171.3	26.2	0	0	111.7	V888 A889 A890 Q896	V888-Q892 VanDerWaalsContact O-CB 3.25Å; V888-Q892 WeakPolarHBondContact O-CB 3.24Å; V888-Q892 PolarHBondContact O-N 3.11Å; A889-Q892 PolarHBondContact O-N 2.82Å; A890-Q892 VanDerWaalsContact C-N 3.3Å; A890-Q892 PolarHBondContact O-N 2.93Å; Q892-Q896 WeakPolarHBondContact O-CB 3.41Å; Q892-Q896 VanDerWaalsContact O-CG 3.27Å; Q892-Q896 WeakPolarHBondContact O-CG 3.34Å; Q892-Q896 PolarHBondContact O-N 3.08Å
893	Q	77.2	Confident	71.6	Confident	143 Å²	143	92.3 Å²	92.3	67%	0.668	49%	0.485	S	S	*	.	H	α-helix	trans	-64.6	-41.6	170.1	-92.2	-170.9	-29.9	0	0	112.4	A889 A890 Q896 A897	A889-Q893 PolarHBondContact O-N 2.84Å; A890-Q893 PolarHBondContact O-N 3.19Å; Q893-Q896 PolarHBondContact O-N 2.65Å; Q893-A897 WeakPolarHBondContact O-CB 3.37Å; Q893-A897 PolarHBondContact O-N 3.01Å
894	Q	76.8	Confident	72.8	Confident	125 Å²	125	89.6 Å²	89.6	58%	0.584	48%	0.483	S	S	*	.	H	α-helix	trans	-63.8	-43.3	175.4	-75	178.7	-15.7	0	0	111.7	A890 Q891 A897 M898	A890-Q894 WeakPolarHBondContact O-CG 3.41Å; A890-Q894 PolarHBondContact O-N 3.37Å; Q891-Q894 PolarHBondContact O-N 3.3Å; Q894-A897 PolarHBondContact O-N 3.39Å; Q894-M898 WeakPolarHBondContact O-CB 3.26Å; Q894-M898 WeakPolarHBondContact O-CG 3.38Å; Q894-M898 PolarHBondContact O-N 3.34Å
895	H	79.1	Confident	73.9	Confident	132 Å²	132	88.3 Å²	88.3	61%	0.611	48%	0.483	S	S	*	.	H	α-helix	trans	-64.4	-38.3	173.6	-88.4	-65.9	0	0	0	112.6	Q891 A899	Q891-H895 WeakPolarHBondContact O-CB 3.46Å; Q891-H895 PolarHBondContact O-CD2 2.68Å; Q891-H895 PolarHBondContact O-N 2.9Å; H895-A899 WeakPolarHBondContact O-CB 3.27Å; H895-A899 PolarHBondContact O-N 3.4Å
896	Q	80	Confident	74.5	Confident	111 Å²	111	80.3 Å²	80.3	52%	0.519	45%	0.454	S	S	.	.	H	α-helix	trans	-65.7	-40.4	173.4	-76.8	173.8	-2	0	0	112	Q892 Q893 A899 A900	Q892-Q896 WeakPolarHBondContact O-CB 3.41Å; Q892-Q896 VanDerWaalsContact O-CG 3.27Å; Q892-Q896 WeakPolarHBondContact O-CG 3.34Å; Q892-Q896 PolarHBondContact O-N 3.08Å; Q893-Q896 PolarHBondContact O-N 2.65Å; Q896-A899 PolarHBondContact O-N 3.35Å; Q896-A900 WeakPolarHBondContact O-CB 3.39Å; Q896-A900 PolarHBondContact O-N 3.13Å
897	A	76.4	Confident	74.9	Confident	57 Å²	57	75.4 Å²	75.4	47%	0.471	44%	0.443	S	S	.	.	H	α-helix	trans	-65.1	-45.9	175.3	0	0	0	0	0	111.7	Q893 Q894 A899 A900 V901	Q893-A897 WeakPolarHBondContact O-CB 3.37Å; Q893-A897 PolarHBondContact O-N 3.01Å; Q894-A897 PolarHBondContact O-N 3.39Å; A897-A899 PolarHBondContact O-N 3.33Å; A897-A900 PolarHBondContact O-N 3.13Å; A897-V901 WeakPolarHBondContact O-CG2 3.49Å; A897-V901 PolarHBondContact O-N 3.16Å
898	M	77.5	Confident	75.3	Confident	134 Å²	134	75.5 Å²	75.5	66%	0.66	46%	0.455	S	S	*	.	H	α-helix	trans	-62.3	-41.5	174.2	-73.4	-176.4	176.9	0	0	112	Q894 V901 A902	Q894-M898 WeakPolarHBondContact O-CB 3.26Å; Q894-M898 WeakPolarHBondContact O-CG 3.38Å; Q894-M898 PolarHBondContact O-N 3.34Å; M898-V901 PolarHBondContact O-N 2.87Å; M898-A902 VanDerWaalsContact O-CB 3.28Å; M898-A902 WeakPolarHBondContact O-CB 3.44Å; M898-A902 PolarHBondContact O-N 3.42Å
899	A	76.5	Confident	75.4	Confident	27 Å²	27	77.7 Å²	77.7	22%	0.223	46%	0.464	C	S	.	.	H	α-helix	trans	-65.8	-37.2	176	0	0	0	0	0	112.2	H895 Q896 A897 A902 A903 Y920	H895-A899 WeakPolarHBondContact O-CB 3.27Å; H895-A899 PolarHBondContact O-N 3.4Å; Q896-A899 PolarHBondContact O-N 3.35Å; A897-A899 PolarHBondContact O-N 3.33Å; A899-A902 PolarHBondContact O-N 3.41Å; A899-A903 WeakPolarHBondContact O-CB 3.33Å; A899-A903 PolarHBondContact O-N 3.45Å; A899-Y920 HydrophobicContact CB-CE1 3.88Å
900	A	75.6	Confident	75.3	Confident	49 Å²	49	82.6 Å²	82.6	41%	0.405	48%	0.475	S	S	.	.	H	α-helix	trans	-67.1	-41.7	174.5	0	0	0	0	0	112.2	Q896 A897 A903 A904	Q896-A900 WeakPolarHBondContact O-CB 3.39Å; Q896-A900 PolarHBondContact O-N 3.13Å; A897-A900 PolarHBondContact O-N 3.13Å; A900-A903 PolarHBondContact O-N 3.04Å; A900-A904 WeakPolarHBondContact O-CB 3.04Å; A900-A904 PolarHBondContact O-N 2.95Å
901	V	76.6	Confident	75.3	Confident	106 Å²	106	85.6 Å²	85.6	64%	0.642	49%	0.49	S	S	*	.	H	α-helix	trans	-65.2	-43.1	173.9	171.7	0	0	0	0	111	A897 M898 A904 A905	A897-V901 WeakPolarHBondContact O-CG2 3.49Å; A897-V901 PolarHBondContact O-N 3.16Å; M898-V901 PolarHBondContact O-N 2.87Å; V901-A904 PolarHBondContact O-N 2.93Å; V901-A905 WeakPolarHBondContact O-CB 3.38Å; V901-A905 PolarHBondContact O-N 3.36Å
902	A	74.9	Confident	75.2	Confident	39 Å²	39	87.6 Å²	87.6	32%	0.322	51%	0.505	S	S	.	.	H	α-helix	trans	-65.2	-38.1	175.8	0	0	0	0	0	112.5	M898 A899 A905 A906 A923	M898-A902 VanDerWaalsContact O-CB 3.28Å; M898-A902 WeakPolarHBondContact O-CB 3.44Å; M898-A902 PolarHBondContact O-N 3.42Å; A899-A902 PolarHBondContact O-N 3.41Å; A902-A905 PolarHBondContact O-N 3.25Å; A902-A906 VanDerWaalsContact O-CB 3.3Å; A902-A906 WeakPolarHBondContact O-CB 3.42Å; A902-A906 PolarHBondContact O-N 2.8Å; A902-A923 HydrophobicContact CB-CB 3.89Å
903	A	72.4	Confident	74.4	Confident	13 Å²	13	83.4 Å²	83.4	11%	0.107	49%	0.49	C	S	.	.	H	α-helix	trans	-68.8	-36.5	174.3	0	0	0	0	0	112.3	A899 A900 A906 A907	A899-A903 WeakPolarHBondContact O-CB 3.33Å; A899-A903 PolarHBondContact O-N 3.45Å; A900-A903 PolarHBondContact O-N 3.04Å; A903-A906 PolarHBondContact O-N 2.94Å; A903-A907 WeakPolarHBondContact O-CB 3.38Å; A903-A907 PolarHBondContact O-N 2.83Å
904	A	73.4	Confident	73.6	Confident	62 Å²	62	81 Å²	81	51%	0.512	50%	0.495	S	S	.	.	H	α-helix	trans	-66.4	-41.9	172.9	0	0	0	0	0	111.9	A900 V901 A907 A908	A900-A904 WeakPolarHBondContact O-CB 3.04Å; A900-A904 PolarHBondContact O-N 2.95Å; V901-A904 PolarHBondContact O-N 2.93Å; A904-A907 PolarHBondContact O-N 3.14Å; A904-A908 PolarHBondContact O-N 2.93Å
905	A	74.3	Confident	73.3	Confident	49 Å²	49	78.3 Å²	78.3	41%	0.405	49%	0.487	S	S	.	.	H	α-helix	trans	-63.8	-41.8	172.5	0	0	0	0	0	111.9	V901 A902 A907 A908 L909	V901-A905 WeakPolarHBondContact O-CB 3.38Å; V901-A905 PolarHBondContact O-N 3.36Å; A902-A905 PolarHBondContact O-N 3.25Å; A905-A907 PolarHBondContact O-N 2.87Å; A905-A908 PolarHBondContact O-N 2.96Å; A905-L909 WeakPolarHBondContact O-CG 3.3Å; A905-L909 PolarHBondContact O-N 3.35Å
906	A	72.4	Confident	72.7	Confident	12 Å²	12	75.4 Å²	75.4	10%	0.099	49%	0.486	C	S	.	.	H	α-helix	trans	-63.4	-38.7	174.6	0	0	0	0	0	112.2	A902 A903 L909 Y910 L919	A902-A906 VanDerWaalsContact O-CB 3.3Å; A902-A906 WeakPolarHBondContact O-CB 3.42Å; A902-A906 PolarHBondContact O-N 2.8Å; A903-A906 PolarHBondContact O-N 2.94Å; A906-L909 PolarHBondContact O-N 3.02Å; A906-Y910 WeakPolarHBondContact O-CB 3.29Å; A906-Y910 PolarHBondContact O-N 3.42Å; A906-L919 HydrophobicContact CB-CD2 4.04Å
907	A	73.4	Confident	72.2	Confident	39 Å²	39	73.5 Å²	73.5	32%	0.322	49%	0.489	S	S	.	.	H	α-helix	trans	-67.5	-35.6	175	0	0	0	0	0	112.5	A903 A904 A905 Y910 L919	A903-A907 WeakPolarHBondContact O-CB 3.38Å; A903-A907 PolarHBondContact O-N 2.83Å; A904-A907 PolarHBondContact O-N 3.14Å; A905-A907 PolarHBondContact O-N 2.87Å; A907-Y910 CarbonylContact O-C 3.53Å; A907-L919 HydrophobicContact CB-CD1 4.16Å; A907-L919 HydrophobicContact CB-CD2 4.09Å
908	A	75.2	Confident	72	Confident	86 Å²	86	74.2 Å²	74.2	71%	0.711	49%	0.485	S	S	*	.	H	α-helix	trans	-68.7	-32	173.7	0	0	0	0	0	113	A904 A905	A904-A908 PolarHBondContact O-N 2.93Å; A905-A908 PolarHBondContact O-N 2.96Å
909	L	75.8	Confident	71.7	Confident	131 Å²	131	69.2 Å²	69.2	69%	0.686	46%	0.461	S	S	*	.	H	α-helix	trans	-83.2	-31.4	176.4	-69.4	168.9	0	0	0	113.2	A905 A906	A905-L909 WeakPolarHBondContact O-CG 3.3Å; A905-L909 PolarHBondContact O-N 3.35Å; A906-L909 PolarHBondContact O-N 3.02Å
910	Y	72.3	Confident	71.5	Confident	143 Å²	143	74 Å²	74	56%	0.561	47%	0.474	S	S	*	.			trans	-131.1	72.1	-174.6	-59.7	-75.2	0	0	0	111.5	A906 A907 N912 A913	A906-Y910 WeakPolarHBondContact O-CB 3.29Å; A906-Y910 PolarHBondContact O-N 3.42Å; A907-Y910 CarbonylContact O-C 3.53Å; Y910-N912 PolarHBondContact O-N 3.18Å; Y910-A913 WeakPolarHBondContact O-CB 3.37Å; Y910-A913 PolarHBondContact O-N 2.8Å
911	P	69.3	Low	71.4	Confident	108 Å²	108	73.9 Å²	73.9	70%	0.701	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-9.1	-179.3	25.9	-36	0	0	0	114.6
912	N	72.6	Confident	71.1	Confident	155 Å²	155	72.1 Å²	72.1	83%	0.829	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	8.2	178	-63.2	-12.7	0	0	0	113.6	Y910 A914	Y910-N912 PolarHBondContact O-N 3.18Å; N912-A914 PolarHBondContact O-N 3.2Å
913	A	61.5	Low	70.5	Confident	31 Å²	31	71 Å²	71	26%	0.256	45%	0.451	S	S	.	.			trans	-68.7	116.4	176.7	0	0	0	0	0	110.7	Y910 T915 L919	Y910-A913 WeakPolarHBondContact O-CB 3.37Å; Y910-A913 PolarHBondContact O-N 2.8Å; A913-T915 PolarHBondContact O-N 3.28Å; A913-L919 HydrophobicContact CB-CD2 3.67Å; A913-L919 HydrophobicContact CB-CG 4Å
914	A	59.6	Low	70.4	Confident	93 Å²	93	74 Å²	74	77%	0.769	48%	0.475	S	S	*	.			trans	-76	-21.1	-161	0	0	0	0	0	115.5	N912	N912-A914 PolarHBondContact O-N 3.2Å
915	T	69.8	Low	69.8	Low	67 Å²	67	78.4 Å²	78.4	41%	0.411	49%	0.485	S	S	.	.			trans	-139.4	157.3	177.6	76.9	0	0	0	0	113.1	A913 A917 D918 L919	A913-T915 PolarHBondContact O-N 3.28Å; T915-A917 PolarHBondContact O-N 2.85Å; T915-A917 PolarHBondContact OG1-N 3.41Å; T915-D918 WeakPolarHBondContact CB-OD2 3.14Å; T915-D918 PolarHBondContact N-OD2 2.69Å; T915-D918 VanDerWaalsContact N-OD2 3.09Å; T915-D918 PolarHBondContact O-N 3.23Å; T915-D918 VanDerWaalsContact O-N 3.16Å; T915-D918 PolarHBondContact OG1-N 3.2Å; T915-D918 VanDerWaalsContact OG1-N 3.08Å; T915-D918 PolarHBondContact OG1-OD2 3.07Å; T915-L919 PolarHBondContact O-N 3.15Å
916	A	66.7	Low	69.1	Low	71 Å²	71	80.3 Å²	80.3	59%	0.587	50%	0.501	S	S	*	.	H	α-helix	trans	-61.2	-26.6	169.9	0	0	0	0	0	112.7	Y920	A916-Y920 WeakPolarHBondContact O-CD2 3.41Å; A916-Y920 PolarHBondContact O-N 3Å
917	A	71.1	Confident	68.1	Low	71 Å²	71	82.9 Å²	82.9	59%	0.587	53%	0.528	S	S	*	.	H	α-helix	trans	-68.9	-39.5	174.7	0	0	0	0	0	111.6	T915 Y920 A921	T915-A917 PolarHBondContact O-N 2.85Å; T915-A917 PolarHBondContact OG1-N 3.41Å; A917-Y920 PolarHBondContact O-N 3.2Å; A917-A921 WeakPolarHBondContact O-CB 3.35Å; A917-A921 PolarHBondContact O-N 3.43Å
918	D	72.3	Confident	66.5	Low	72 Å²	72	84 Å²	84	39%	0.385	54%	0.538	S	S	.	.	H	α-helix	trans	-64.8	-40.4	175	-57.5	-56.2	0	0	0	111.4	T915 A921 L922	T915-D918 WeakPolarHBondContact CB-OD2 3.14Å; T915-D918 PolarHBondContact N-OD2 2.69Å; T915-D918 VanDerWaalsContact N-OD2 3.09Å; T915-D918 PolarHBondContact O-N 3.23Å; T915-D918 VanDerWaalsContact O-N 3.16Å; T915-D918 PolarHBondContact OG1-N 3.2Å; T915-D918 VanDerWaalsContact OG1-N 3.08Å; T915-D918 PolarHBondContact OG1-OD2 3.07Å; D918-A921 PolarHBondContact O-N 3.4Å; D918-L922 WeakPolarHBondContact O-CB 3.39Å; D918-L922 WeakPolarHBondContact O-CG 3.46Å; D918-L922 PolarHBondContact O-N 3.47Å
919	L	71.1	Confident	64.8	Low	30 Å²	30	85.8 Å²	85.8	16%	0.157	54%	0.542	C	S	.	.	H	α-helix	trans	-63.5	-43.2	175.5	-72.1	171.2	0	0	0	112.2	A906 A907 A913 T915 L922 A923	A906-L919 HydrophobicContact CB-CD2 4.04Å; A907-L919 HydrophobicContact CB-CD1 4.16Å; A907-L919 HydrophobicContact CB-CD2 4.09Å; A913-L919 HydrophobicContact CB-CD2 3.67Å; A913-L919 HydrophobicContact CB-CG 4Å; T915-L919 PolarHBondContact O-N 3.15Å; L919-L922 PolarHBondContact O-N 2.94Å; L919-A923 WeakPolarHBondContact O-CB 3.44Å; L919-A923 PolarHBondContact O-N 3.08Å
920	Y	71.1	Confident	62.8	Low	126 Å²	126	91.5 Å²	91.5	49%	0.494	56%	0.555	S	S	.	*	H	α-helix	trans	-65.8	-36.4	173.1	-96.6	-86.9	0	0	0	112.5	A899 A916 A917 A923 A924	A899-Y920 HydrophobicContact CB-CE1 3.88Å; A916-Y920 WeakPolarHBondContact O-CD2 3.41Å; A916-Y920 PolarHBondContact O-N 3Å; A917-Y920 PolarHBondContact O-N 3.2Å; Y920-A923 PolarHBondContact O-N 3.16Å; Y920-A924 WeakPolarHBondContact O-CB 3.47Å; Y920-A924 PolarHBondContact O-N 3.21Å
921	A	73.3	Confident	61.2	Low	47 Å²	47	91 Å²	91	39%	0.388	57%	0.567	S	S	.	*	H	α-helix	trans	-68.4	-39	176.4	0	0	0	0	0	112.4	A917 D918 A924 Q925	A917-A921 WeakPolarHBondContact O-CB 3.35Å; A917-A921 PolarHBondContact O-N 3.43Å; D918-A921 PolarHBondContact O-N 3.4Å; A921-A924 PolarHBondContact O-N 3.47Å; A921-Q925 WeakPolarHBondContact O-CG 3.35Å; A921-Q925 PolarHBondContact O-N 3.14Å
922	L	69.9	Low	59.4	Low	70 Å²	70	89.5 Å²	89.5	37%	0.366	57%	0.57	S	S	.	*	H	α-helix	trans	-63.6	-46.9	172.4	-80.9	164.4	0	0	0	111.5	D918 L919 A924 Q925 A926	D918-L922 WeakPolarHBondContact O-CB 3.39Å; D918-L922 WeakPolarHBondContact O-CG 3.46Å; D918-L922 PolarHBondContact O-N 3.47Å; L919-L922 PolarHBondContact O-N 2.94Å; L922-A924 VanDerWaalsContact C-N 3.3Å; L922-A924 PolarHBondContact O-N 3.43Å; L922-Q925 PolarHBondContact O-N 3.19Å; L922-A926 PolarHBondContact O-N 3.03Å
923	A	64.1	Low	57.7	Low	16 Å²	16	90.2 Å²	90.2	13%	0.132	57%	0.574	C	S	.	*	H	α-helix	trans	-58.8	-40.7	175.1	0	0	0	0	0	112.1	A902 L919 Y920 A926 G927	A902-A923 HydrophobicContact CB-CB 3.89Å; L919-A923 WeakPolarHBondContact O-CB 3.44Å; L919-A923 PolarHBondContact O-N 3.08Å; Y920-A923 PolarHBondContact O-N 3.16Å; A923-A926 PolarHBondContact O-N 3.41Å; A923-G927 PolarHBondContact O-N 2.88Å
924	A	68.9	Low	56.5	Low	74 Å²	74	92.4 Å²	92.4	61%	0.612	60%	0.599	S	S	*	*	H	α-helix	trans	-67.3	-32.8	176.5	0	0	0	0	0	113.6	Y920 A921 L922	Y920-A924 WeakPolarHBondContact O-CB 3.47Å; Y920-A924 PolarHBondContact O-N 3.21Å; A921-A924 PolarHBondContact O-N 3.47Å; L922-A924 VanDerWaalsContact C-N 3.3Å; L922-A924 PolarHBondContact O-N 3.43Å
925	Q	62	Low	55.4	Low	155 Å²	155	96 Å²	96	72%	0.724	60%	0.603	S	S	*	*	H	α-helix	trans	-75.9	-29.7	176	-73.1	-175.2	31.8	0	0	113.2	A921 L922	A921-Q925 WeakPolarHBondContact O-CG 3.35Å; A921-Q925 PolarHBondContact O-N 3.14Å; L922-Q925 PolarHBondContact O-N 3.19Å
926	A	57.8	Low	53.7	Low	89 Å²	89	97.6 Å²	97.6	74%	0.736	62%	0.618	S	S	*	*	H	α-helix	trans	-70.6	-29.2	178.8	0	0	0	0	0	113.6	L922 A923 A928	L922-A926 PolarHBondContact O-N 3.03Å; A923-A926 PolarHBondContact O-N 3.41Å; A926-A928 PolarHBondContact O-N 3.34Å
927	G	52.3	Low	52.2	Low	66 Å²	66	105.5 Å²	105.5	68%	0.68	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	2.6	-173.7	0	0	0	0	0	116.9	A923	A923-G927 PolarHBondContact O-N 2.88Å
928	A	39.1	Very low	50.6	Low	64 Å²	64	107 Å²	107	53%	0.529	64%	0.639	S	S	.	*			trans	-98.5	116	-172.6	0	0	0	0	0	112.7	A926 R930	A926-A928 PolarHBondContact O-N 3.34Å; A928-R930 PolarHBondContact O-N 2.85Å; A928-R930 VanDerWaalsContact O-N 3.09Å
929	P	39.9	Very low	48.9	Very low	122 Å²	122	115.3 Å²	115.3	79%	0.792	67%	0.665	S	S	*	*			trans	-68.1	110.4	178.9	27.1	-33.7	0	0	0	111	T931	P929-T931 PolarHBondContact O-N 2.83Å
930	R	34.7	Very low	47.2	Very low	252 Å²	252	117.7 Å²	117.7	95%	0.951	70%	0.696	S	S	*	*			trans	-73.9	91.2	177.9	-77.7	-174.4	163.8	-154.1	-2.8	111.6	A928 G932	A928-R930 PolarHBondContact O-N 2.85Å; A928-R930 VanDerWaalsContact O-N 3.09Å; R930-G932 PolarHBondContact O-N 3.11Å
931	T	39.2	Very low	45.8	Very low	132 Å²	132	118.9 Å²	118.9	81%	0.81	71%	0.706	S	S	*	*			trans	-68.1	118.9	162.2	43.2	0	0	0	0	109.9	P929	P929-T931 PolarHBondContact O-N 2.83Å
932	G	31.4	Very low	44	Very low	76 Å²	76	127.5 Å²	127.5	78%	0.784	73%	0.729	S	S	*	*			trans	-76.1	131.5	179.5	0	0	0	0	0	112.1	R930	R930-G932 PolarHBondContact O-N 3.11Å
933	L	36.4	Very low	42.4	Very low	171 Å²	171	127.4 Å²	127.4	90%	0.895	75%	0.745	S	S	*	*			trans	-126	123.5	164.9	-78.9	175.4	0	0	0	110.1
934	G	35.5	Very low	41.1	Very low	77 Å²	77	132.8 Å²	132.8	79%	0.794	78%	0.781	S	S	*	*			trans	-71.8	153.8	-177.9	0	0	0	0	0	113.6	S936	G934-S936 PolarHBondContact O-N 2.94Å
935	I	36.1	Very low	39.4	Very low	167 Å²	167	134.7 Å²	134.7	86%	0.856	79%	0.791	S	S	*	*			trans	-79.5	116.7	-177.5	-61.3	162.8	0	0	0	110.5
936	S	35.6	Very low	38.5	Very low	102 Å²	102	133.2 Å²	133.2	71%	0.713	79%	0.794	S	S	*	*			trans	-165.3	107.3	142.8	-91.8	0	0	0	0	116.2	G934	G934-S936 PolarHBondContact O-N 2.94Å
937	R	34.5	Very low	37.5	Very low	236 Å²	236	134.4 Å²	134.4	89%	0.891	80%	0.797	S	S	*	*				49.2	132.7	129.6	-58.3	179.2	178.7	-169.1	-0.5	121.1
938	S	37.3	Very low	36.7	Very low	104 Å²	104	139.3 Å²	139.3	73%	0.727	80%	0.802	S	S	*	*			trans	102.6	92.9	139	-167	0	0	0	0	121
939	R	35.7	Very low	36.6	Very low	246 Å²	246	142.1 Å²	142.1	93%	0.928	81%	0.808	S	S	*	*				68.9	117.4	118.9	-168.2	-167.9	-160.4	-179.3	5.8	120
940	G	36.8	Very low	36.4	Very low	79 Å²	79	144.7 Å²	144.7	81%	0.814	81%	0.807	S	S	*	*			trans	159.1	97.5	152.2	0	0	0	0	0	118.1
941	Q	40.9	Very low	36.3	Very low	151 Å²	151	138.6 Å²	138.6	71%	0.706	79%	0.793	S	S	*	*			trans	-59.5	150.8	178.4	-67	-178.8	22.8	0	0	117.8
942	R	36.1	Very low	36.1	Very low	228 Å²	228	140.9 Å²	140.9	86%	0.86	79%	0.794	S	S	*	*			trans	64.9	154.5	152	-62.7	164.1	-149.2	-111.5	4.6	117.6
943	G	35.3	Very low	36.2	Very low	69 Å²	69	148.3 Å²	148.3	71%	0.711	80%	0.799	S	S	*	*			cis	158.5	136.5	-11	0	0	0	0	0	114.1
944	S	37.5	Very low	36.5	Very low	128 Å²	128	144.9 Å²	144.9	90%	0.895	79%	0.787	S	S	*	*			trans	68.4	130.9	166.6	-56.9	0	0	0	0	120.8
945	S	32.9	Very low	36.6	Very low	115 Å²	115	152 Å²	152	80%	0.804	79%	0.791	S	S	*	*			trans	-84.1	-165.1	163.8	-30.3	0	0	0	0	110.8
946	P	44.5	Very low	36.6	Very low	124 Å²	124	149 Å²	149	81%	0.805	79%	0.785	S	S	*	*			cis	-135.9	171.2	-14.7	39.8	-23.9	0	0	0	115.1
947	S	36.5	Very low	36.7	Very low	114 Å²	114	148.8 Å²	148.8	80%	0.797	78%	0.784	S	S	*	*			trans	-162.3	125.5	150.2	60.5	0	0	0	0	114.9
948	H	34.6	Very low	36.9	Very low	169 Å²	169	142.5 Å²	142.5	78%	0.782	78%	0.776	S	S	*	*			trans	13.6	143.2	144.1	-94.7	-94.7	0	0	0	123.9
949	D	37	Very low	36.9	Very low	122 Å²	122	143.3 Å²	143.3	65%	0.652	78%	0.777	S	S	*	*				109.1	128.8	125.5	-80	-16.9	0	0	0	124.8
950	F	36	Very low	37	Very low	177 Å²	177	138.4 Å²	138.4	78%	0.776	77%	0.768	S	S	*	*			trans	75.5	135.9	148	-84.8	-113.1	0	0	0	124.5
951	N	32.6	Very low	37	Very low	123 Å²	123	140.3 Å²	140.3	66%	0.658	76%	0.76	S	S	*	*			trans	-60	149.8	174.3	-49.1	-62.2	0	0	0	114
952	H	35.4	Very low	36.7	Very low	180 Å²	180	138.7 Å²	138.7	83%	0.833	76%	0.756	S	S	*	*				175.5	146.8	100.3	-98.2	-78	0	0	0	114.3
953	R	32.1	Very low	36.7	Very low	232 Å²	232	138.9 Å²	138.9	88%	0.875	76%	0.757	S	S	*	*			trans	-86.3	158.4	159.1	-116.5	-178.1	-177.1	-167.7	1.7	108.6
954	P	43.5	Very low	36.6	Very low	99 Å²	99	147.3 Å²	147.3	64%	0.643	77%	0.767	S	S	*	*				-162.7	-179.6	73.1	44.6	-24.3	0	0	0	118.9
955	Y	37.4	Very low	36.6	Very low	226 Å²	226	152.5 Å²	152.5	89%	0.886	77%	0.767	S	S	*	*			trans	58.9	158.1	158.4	-70.5	-62.1	0	0	0	118.3
956	S	37.4	Very low	36.6	Very low	105 Å²	105	155.9 Å²	155.9	73%	0.734	77%	0.77	S	S	*	*			cis	-164.8	-177.4	-19.1	62.3	0	0	0	0	107.4
957	S	37.6	Very low	36.2	Very low	98 Å²	98	154.7 Å²	154.7	69%	0.685	76%	0.763	S	S	*	*			cis	-163.2	171.2	0.5	-149.7	0	0	0	0	110.3
958	S	37.3	Very low	36.1	Very low	104 Å²	104	155.5 Å²	155.5	73%	0.727	76%	0.763	S	S	*	*			trans	61.3	152.4	161.4	50.8	0	0	0	0	118.3
959	T	37.7	Very low	36	Very low	120 Å²	120	154.6 Å²	154.6	74%	0.736	76%	0.764	S	S	*	*			cis	-150.2	161.2	9.5	-15.8	0	0	0	0	111.8
960	L	37.6	Very low	35.9	Very low	144 Å²	144	159.1 Å²	159.1	75%	0.754	77%	0.773	S	S	*	*			trans	-4.2	150.5	150.1	-59.6	168.6	0	0	0	118.9
961	D	37.5	Very low	35.7	Very low	119 Å²	119	155.7 Å²	155.7	64%	0.636	77%	0.771	S	S	*	*			cis	-163.6	160.7	18	-139.9	-26.6	0	0	0	116.7
962	N	34.5	Very low	35.9	Very low	117 Å²	117	155.5 Å²	155.5	63%	0.626	78%	0.775	S	S	*	*			trans	58.9	136.3	144.6	-103	-75.7	0	0	0	125.2
963	R	34.8	Very low	35.7	Very low	231 Å²	231	154.8 Å²	154.8	87%	0.872	78%	0.777	S	S	*	*			trans	67	121.1	159.3	-55.3	165.6	-176.8	-177.2	-1.5	116.9
964	R	34.6	Very low	35.6	Very low	246 Å²	246	153.8 Å²	153.8	93%	0.928	77%	0.773	S	S	*	*				-168.7	162.5	67.2	-157	176	-167.2	-161.7	4.4	112.7
965	R	37.3	Very low	34.9	Very low	238 Å²	238	159.9 Å²	159.9	90%	0.898	78%	0.783	S	S	*	*			trans	-33.6	149.4	-175.2	-63.6	-179.3	172.1	-161.1	-4.9	120.5
966	Q	32.9	Very low	34.6	Very low	186 Å²	186	154.8 Å²	154.8	87%	0.869	78%	0.778	S	S	*	*			trans	-44.9	140.9	164	-66.4	-89.4	6.8	0	0	115.1
967	P	36.2	Very low	34.2	Very low	99 Å²	99	157 Å²	157	64%	0.643	79%	0.786	S	S	*	*			trans	-99	146.9	155.7	36.2	-29.4	0	0	0	112.2
968	T	33.7	Very low	33.9	Very low	130 Å²	130	155.7 Å²	155.7	80%	0.798	79%	0.789	S	S	*	*			trans	-84.4	114.5	178.9	37.3	0	0	0	0	112.3	Y970	T968-Y970 PolarHBondContact O-N 3.31Å; T968-Y970 VanDerWaalsContact O-N 3.07Å
969	N	33.5	Very low	33.4	Very low	151 Å²	151	154.8 Å²	154.8	81%	0.807	80%	0.796	S	S	*	*			trans	-80.4	86.3	179.5	-80.9	-35	0	0	0	112.8	S971	N969-S971 PolarHBondContact O-N 3.48Å
970	Y	33.2	Very low	33	Very low	217 Å²	217	152.1 Å²	152.1	85%	0.851	79%	0.793	S	S	*	*			trans	-73.2	95.6	163.1	-101	-96.4	0	0	0	110.5	T968 T972	T968-Y970 PolarHBondContact O-N 3.31Å; T968-Y970 VanDerWaalsContact O-N 3.07Å; Y970-T972 VanDerWaalsContact C-N 3.31Å; Y970-T972 PolarHBondContact O-N 3.06Å
971	S	33.2	Very low	32.5	Very low	105 Å²	105	149.5 Å²	149.5	73%	0.734	80%	0.8	S	S	*	*			trans	-75.3	79.1	175.8	-67.9	0	0	0	0	113	N969 N973	N969-S971 PolarHBondContact O-N 3.48Å; S971-N973 PolarHBondContact O-N 2.94Å
972	T	35.6	Very low	32.3	Very low	119 Å²	119	149.2 Å²	149.2	73%	0.73	80%	0.803	S	S	*	*			trans	24	92.7	136.2	57.3	0	0	0	0	117.1	Y970 R974	Y970-T972 VanDerWaalsContact C-N 3.31Å; Y970-T972 PolarHBondContact O-N 3.06Å; T972-R974 PolarHBondContact O-N 3.01Å
973	N	31.4	Very low	32.2	Very low	164 Å²	164	149.4 Å²	149.4	88%	0.877	81%	0.809	S	S	*	*			trans	-75.4	59.9	163.8	-101.6	-30.7	0	0	0	111.7	S971	S971-N973 PolarHBondContact O-N 2.94Å
974	R	29.8	Very low	32	Very low	211 Å²	211	145.6 Å²	145.6	80%	0.796	81%	0.811	S	S	*	*			trans	-88.8	93.1	160	-79	-165.3	-179.7	-152.2	2.6	108.3	T972	T972-R974 PolarHBondContact O-N 3.01Å
975	R	29.1	Very low	31.9	Very low	227 Å²	227	136.8 Å²	136.8	86%	0.857	80%	0.797	S	S	*	*			trans	-71.5	132.9	164.7	-79.4	-169.6	172.3	-159.8	-0	109.1
976	P	31.6	Very low	31.9	Very low	120 Å²	120	133 Å²	133	78%	0.779	79%	0.79	S	S	*	*			trans	-70	158.1	171.4	31.3	-34.8	0	0	0	110.5	G978	P976-G978 PolarHBondContact O-N 2.83Å; P976-G978 VanDerWaalsContact O-N 3.12Å
977	V	28.7	Very low	31.9	Very low	150 Å²	150	135 Å²	135	91%	0.909	79%	0.789	S	S	*	*			trans	-58.5	113.9	174.9	177.9	0	0	0	0	109.6
978	G	30.6	Very low	31.9	Very low	71 Å²	71	134.7 Å²	134.7	73%	0.732	79%	0.785	S	S	*	*			trans	-92.9	113.9	171.9	0	0	0	0	0	109.8	P976 G980	P976-G978 PolarHBondContact O-N 2.83Å; P976-G978 VanDerWaalsContact O-N 3.12Å; G978-G980 PolarHBondContact O-N 3.5Å
979	G	28.2	Very low	32	Very low	86 Å²	86	134 Å²	134	89%	0.887	77%	0.774	S	S	*	*			trans	-68	116.7	-177.7	0	0	0	0	0	113
980	G	29	Very low	32.1	Very low	64 Å²	64	132 Å²	132	66%	0.66	76%	0.763	S	S	*	*			trans	-120.4	110.2	161.5	0	0	0	0	0	108.6	G978 T982	G978-G980 PolarHBondContact O-N 3.5Å; G980-T982 PolarHBondContact O-N 3.38Å; G980-T982 VanDerWaalsContact O-N 3.13Å
981	G	26.8	Very low	32.3	Very low	89 Å²	89	122.8 Å²	122.8	92%	0.918	73%	0.73	S	S	*	*			trans	-74.7	101.2	-173.6	0	0	0	0	0	112.7
982	T	32.8	Very low	32.6	Very low	112 Å²	112	119.1 Å²	119.1	69%	0.687	70%	0.7	S	S	*	*			trans	-124.3	154.4	163.6	54.2	0	0	0	0	110.3	G980 T984	G980-T982 PolarHBondContact O-N 3.38Å; G980-T982 VanDerWaalsContact O-N 3.13Å; T982-T984 PolarHBondContact O-N 3.34Å
983	T	32.5	Very low	33.1	Very low	122 Å²	122	115.8 Å²	115.8	75%	0.748	68%	0.678	S	S	*	*			trans	-67.7	100.2	-166.9	33.4	0	0	0	0	112.9	G985	T983-G985 PolarHBondContact O-N 3.38Å
984	T	31.4	Very low	33.9	Very low	150 Å²	150	112.5 Å²	112.5	92%	0.92	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	69.9	173.2	55	0	0	0	0	111.4	T982	T982-T984 PolarHBondContact O-N 3.34Å
985	G	33.1	Very low	34.5	Very low	62 Å²	62	104.9 Å²	104.9	64%	0.639	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.2	-30.7	178.7	0	0	0	0	0	115.1	T983	T983-G985 PolarHBondContact O-N 3.38Å
986	E	36	Very low	35	Very low	158 Å²	158	97 Å²	97	74%	0.738	61%	0.61	S	S	*	*	S	Bend	trans	-116.8	-6.8	-167.9	-63.3	-177.8	129.5	0	0	114.8	T988	E986-T988 PolarHBondContact O-N 2.93Å
987	R	32.7	Very low	35.1	Very low	228 Å²	228	96.1 Å²	96.1	86%	0.86	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	63.6	174.7	-75.7	-169.8	172.3	-164.5	-2.2	113
988	T	36.9	Very low	35.2	Very low	92 Å²	92	95.5 Å²	95.5	56%	0.564	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	-3	165.4	48.7	0	0	0	0	113.4	E986	E986-T988 PolarHBondContact O-N 2.93Å
989	M	35.6	Very low	35.3	Very low	115 Å²	115	94.4 Å²	94.4	57%	0.567	59%	0.586	S	S	*	*			trans	-111.1	101.1	166.8	-72.8	-163.8	-76.2	0	0	110.4	W457	W457-M989 HydrophobicContact CZ2-SD 3.77Å
990	I	36.6	Very low	35.6	Very low	109 Å²	109	96.1 Å²	96.1	56%	0.559	58%	0.575	S	S	*	*			trans	-88.6	125	164.7	-58.5	171.4	0	0	0	106.3	D994 L995	I990-D994 HydrophobicContact CG2-CB 4.07Å; I990-L995 HydrophobicContact CG2-CD1 4.24Å; I990-L995 HydrophobicContact CG2-CD2 3.84Å; I990-L995 HydrophobicContact CG2-CG 3.67Å
991	S	37.1	Very low	36	Very low	25 Å²	25	101.3 Å²	101.3	18%	0.175	59%	0.588	C	S	.	*			trans	-71.8	149.4	175.2	107.4	0	0	0	0	110.2	N993 D994	S991-N993 PolarHBondContact O-N 3.49Å; S991-N993 VanDerWaalsContact O-N 3.08Å; S991-N993 PolarHBondContact OG-N 3.37Å; S991-D994 VanDerWaalsContact CB-CG 3.44Å; S991-D994 WeakPolarHBondContact CB-OD1 3.35Å; S991-D994 WeakPolarHBondContact CB-OD2 3.31Å; S991-D994 PolarHBondContact N-OD2 3.19Å; S991-D994 WeakPolarHBondContact O-CB 3.4Å; S991-D994 PolarHBondContact O-N 3.03Å; S991-D994 PolarHBondContact OG-N 2.95Å; S991-D994 PolarHBondContact OG-OD1 3.04Å; S991-D994 PolarHBondContact OG-OD2 3.34Å
992	Y	39.9	Very low	36.1	Very low	27 Å²	27	102.8 Å²	102.8	11%	0.106	58%	0.579	C	S	.	*	T	Hydrogen-bonded Turn	trans	-58.2	-25.4	178.7	-123.9	-85.8	0	0	0	112.6	L511 Y671 E674 G682 I683	L511-Y992 HydrophobicContact CD1-CE1 3.89Å; L511-Y992 HydrophobicContact CD2-CD1 3.74Å; L511-Y992 HydrophobicContact CD2-CE1 3.73Å; L511-Y992 HydrophobicContact CG-CE1 4.47Å; Y671-Y992 HydrophobicContact CD1-CD2 4.38Å; Y671-Y992 AromaticContact CD1-CE2 3.83Å; Y671-Y992 HydrophobicContact CD1-CE2 3.83Å; Y671-Y992 AromaticContact CE1-CE2 3.98Å; Y671-Y992 HydrophobicContact CE1-CE2 3.98Å; Y671-Y992 HydrophobicContact CG-CE2 4.21Å; E674-Y992 PolarHBondContact OE1-OH 2.91Å; G682-Y992 VanDerWaalsContact CA-OH 3.27Å; G682-Y992 WeakPolarHBondContact CA-OH 3.24Å; I683-Y992 HydrophobicContact CB-CE1 4.48Å; I683-Y992 HydrophobicContact CD1-CD1 3.91Å; I683-Y992 HydrophobicContact CD1-CE1 3.46Å; I683-Y992 VanDerWaalsContact CD1-CE1 3.46Å; I683-Y992 HydrophobicContact CG1-CE1 3.73Å; I683-Y992 PolarHBondContact N-OH 2.85Å
993	N	45.3	Very low	36	Very low	49 Å²	49	108.8 Å²	108.8	26%	0.262	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85	-25.5	177.4	-60.3	12.9	0	0	0	112.2	F428 S991 L995 D996	F428-N993 WeakPolarHBondContact CZ-ND2 3.29Å; S991-N993 PolarHBondContact O-N 3.49Å; S991-N993 VanDerWaalsContact O-N 3.08Å; S991-N993 PolarHBondContact OG-N 3.37Å; N993-L995 PolarHBondContact O-N 3.35Å; N993-D996 PolarHBondContact O-N 2.78Å
994	D	47.5	Very low	36.1	Very low	96 Å²	96	108.1 Å²	108.1	51%	0.513	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.8	-14.1	178.3	-51.7	-14.2	0	0	0	111.6	I990 S991	I990-D994 HydrophobicContact CG2-CB 4.07Å; S991-D994 VanDerWaalsContact CB-CG 3.44Å; S991-D994 WeakPolarHBondContact CB-OD1 3.35Å; S991-D994 WeakPolarHBondContact CB-OD2 3.31Å; S991-D994 PolarHBondContact N-OD2 3.19Å; S991-D994 WeakPolarHBondContact O-CB 3.4Å; S991-D994 PolarHBondContact O-N 3.03Å; S991-D994 PolarHBondContact OG-N 2.95Å; S991-D994 PolarHBondContact OG-OD1 3.04Å; S991-D994 PolarHBondContact OG-OD2 3.34Å
995	L	42.3	Very low	36.4	Very low	51 Å²	51	105.9 Å²	105.9	27%	0.267	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-89.5	-9.2	177	-73.2	175.6	0	0	0	114.3	R516 I683 I990 N993	R516-L995 PolarHBondContact NH1-O 3.05Å; R516-L995 PolarHBondContact NH2-O 2.98Å; I683-L995 HydrophobicContact CD1-CD1 3.9Å; I990-L995 HydrophobicContact CG2-CD1 4.24Å; I990-L995 HydrophobicContact CG2-CD2 3.84Å; I990-L995 HydrophobicContact CG2-CG 3.67Å; N993-L995 PolarHBondContact O-N 3.35Å
996	D	40	Very low	36.6	Very low	60 Å²	60	108.3 Å²	108.3	32%	0.321	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123.3	1.9	-171	-88.2	11.6	0	0	0	114.1	R516 N993 P998	R516-D996 IonicContact CZ-OD1 2.75Å; R516-D996 IonicContact NH2-OD1 3.94Å; R516-D996 PolarHBondContact NH2-OD1 2.84Å; N993-D996 PolarHBondContact O-N 2.78Å; D996-P998 WeakPolarHBondContact O-CD 3.48Å
997	D	34	Very low	36.6	Very low	103 Å²	103	105.4 Å²	105.4	55%	0.551	57%	0.569	S	S	*	*			trans	-110.8	88.8	179.7	-164.4	-13.6	0	0	0	113	G999	D997-G999 PolarHBondContact O-N 2.94Å; D997-G999 PolarHBondContact OD1-N 2.57Å
998	P	30.6	Very low	36.9	Very low	137 Å²	137	97.8 Å²	97.8	89%	0.89	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	12.1	-179.6	32.2	-37.4	0	0	0	114.3	D996	D996-P998 WeakPolarHBondContact O-CD 3.48Å
999	G	32.4	Very low	36.9	Very low	47 Å²	47	98.1 Å²	98.1	49%	0.485	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-14.6	178.9	0	0	0	0	0	115.7	D997	D997-G999 PolarHBondContact O-N 2.94Å; D997-G999 PolarHBondContact OD1-N 2.57Å
1000	N	35.9	Very low	36.9	Very low	122 Å²	122	96.9 Å²	96.9	65%	0.652	55%	0.549	S	S	*	.			trans	-91.3	-0.8	-161.5	-154.7	39.7	0	0	0	115.8	V1002	N1000-V1002 PolarHBondContact O-N 3.02Å
1001	D	36.2	Very low	37	Very low	173 Å²	173	96 Å²	96	93%	0.925	55%	0.548	S	S	*	.	S	Bend	trans	-80.1	23.9	172.6	-81	-32.8	0	0	0	113.3
1002	V	29.6	Very low	37	Very low	121 Å²	121	101.9 Å²	101.9	73%	0.733	58%	0.579	S	S	*	*			trans	-135.3	44	-170.7	-156.5	0	0	0	0	113.5	N1000	N1000-V1002 PolarHBondContact O-N 3.02Å
1003	L	29.8	Very low	36.7	Very low	237 Å²	237	108.7 Å²	108.7	100%	1.241	62%	0.622	S	S	*	*			trans	-137.1	0	162	-78	-179.5	0	0	0	111.6

Retrieved 1,003 of 1,003 residues in 715.3 ms (Link to these results)

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