A0A3Q0KL43_SCHMA Loading...

RecQ-like DNA helicase BLM

AlphaFold DB , UniProt , Accession A0A3Q0KL43, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,119 aa.

						>A0A3Q0KL43_SCHMA|A0A3Q0KL43
MGDGQRKFTFKPLKSTPKATTPRISSSAPSIPLHRPLFTTSDNSPTCKDDNSTKVSAKFLPTATVTPIRNNNDVVRSPSPDLDISIHEESLEVPSPSWFDESEPVENPSPLPTQDLTLNRPTDKTSPVSSIPQTPSLVSFTSVTSVSKPCLQNESRNVQAFSTENSNLGSHDDSVSIPQSFYSSICKACDLLENLPMNKLMYCFGDELSVITKLLHERSSNPIIISGRPPSGTLKKLTNPISLTSTSDQHIRNSNTSKRTLMGVTSHAPENILSDDDSWANISTNPSKTRASSDVPIKCLTVRKSVTQKTDNNCTIRHPTMTFDSGEGSAFLPLQAQSKWDVQTHCDDQYNQPDDGSTGEFDGDDRFPHSKRMMEAFSKMFGLRSFRRNQLQAINAALLDRDCFVIMPTGGGKSLCYQLPAVVQSGLTVVISPLKALVLDQVTKLQSLGVPAAHLTGEASLSETDQVYTALHMANLRLKLLYVTPEKIAASDKLKGCLEQLYKRKRLDRFVIDEAHCVSQWGHDFRPDYRNLNILRINFPDVPMMAMTATATPKVRRDILLQLKMTNTKWFIQSFNRANLRFEVRPKKLKNCTKEIIDVIRNEFPKRSGIVYCLSRRECDVVAEELKAAGLQASAYHAGMTDAQRRNVQQAWIQEDKCKIVCATIAFGMGIDKPDVRFVIHHSLPKSIEGYYQEAGRSGRDGLPSTCILYYHWHDVVRLRKLIQGDGSSAVARGTHQFHEDALYRMVSYCENQIDCRRKQILSHFGEAFDSATCGTIVGCLCDNCQLSDRRRLEHRDVTEDAIKIVRTVELFVRSRRNVTVNYLVDIFRGAKTSHIQKSGDESNQIYGQGSAYSKTDAERLLHRLVSERILYEELAVTQLDHVVAYVRLGSKSTGLLNGSIKITLPVSIPNRSGQSETNVVGRPPEDRYASVRNQCYEELVQAAKQLTSAQGISNYATVFPNEMLLEMASSLPATREELLQIPQCTDYKLNCFNAESSFLEITLNYLSILGALKAEEKEHEEMNTPQQSLPLISSSRGRGRSNFAKRGRTKAYSTKKITSSGGGERKRNYLFGKYQFKSNPSSSASSSSSAGWKRKAPTSTFNTNTFQPKLMKLSVKRD
					

Structure Viewer

Loading PAE data...

(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	34.9	Very low	35	Very low	246 Å²	246	168.5 Å²	168.5	100%	1.212	85%	0.851	S	S	*	*				0	134.8	0	-64.9	178.6	175.9	0	0	107.6
2	G	33.2	Very low	34.9	Very low	74 Å²	74	164 Å²	164	76%	0.763	84%	0.842	S	S	*	*			trans	50.6	88.7	172	0	0	0	0	0	115.2
3	D	34	Very low	35.1	Very low	156 Å²	156	165.1 Å²	165.1	83%	0.834	85%	0.849	S	S	*	*			cis	64.8	131	43.1	-151.2	-0.8	0	0	0	113.9
4	G	41.5	Very low	35.2	Very low	73 Å²	73	167 Å²	167	75%	0.753	85%	0.848	S	S	*	*			trans	162.6	48.4	-163.5	0	0	0	0	0	116
5	Q	35	Very low	35.1	Very low	146 Å²	146	163.3 Å²	163.3	68%	0.682	84%	0.844	S	S	*	*			trans	-65.5	143	176.3	-63.7	-174	5.8	0	0	113.4	K7	Q5-K7 VanDerWaalsContact OE1-CE 3.31Å
6	R	36.7	Very low	35.4	Very low	252 Å²	252	161.8 Å²	161.8	95%	0.951	84%	0.844	S	S	*	*			trans	-132.6	128	146.7	-78.1	-166.5	171.5	-171.7	-2.1	110.7
7	K	33.9	Very low	35.5	Very low	166 Å²	166	159.1 Å²	159.1	72%	0.722	84%	0.839	S	S	*	*			trans	-93.4	143.6	179.7	-62.1	173.4	-174.8	175.8	0	110.1	Q5	Q5-K7 VanDerWaalsContact OE1-CE 3.31Å
8	F	32	Very low	35.7	Very low	215 Å²	215	161.9 Å²	161.9	94%	0.943	84%	0.843	S	S	*	*			trans	-110.1	128.7	153.5	-91.8	-81	0	0	0	109.2
9	T	34.1	Very low	35.8	Very low	119 Å²	119	157.6 Å²	157.6	73%	0.73	83%	0.833	S	S	*	*			trans	-105	115.8	-174.6	51.8	0	0	0	0	111.3
10	F	33.6	Very low	35.8	Very low	206 Å²	206	156.3 Å²	156.3	90%	0.904	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-75.6	134	162.3	-95.1	-97.6	0	0	0	110.3
11	K	35.6	Very low	35.9	Very low	200 Å²	200	155 Å²	155	87%	0.87	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-91.4	122.1	171.2	-77.9	-175.6	175.2	179.7	0	110.1
12	P	34.7	Very low	36.2	Very low	115 Å²	115	148.7 Å²	148.7	75%	0.747	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-80.9	132.5	167.9	32	-31.9	0	0	0	110.6
13	L	37.6	Very low	36.2	Very low	178 Å²	178	156 Å²	156	93%	0.932	81%	0.812	S	S	*	*			trans	-86.1	112.1	170.1	-104.6	160.4	0	0	0	109.2
14	K	36.1	Very low	36.3	Very low	192 Å²	192	155 Å²	155	84%	0.835	81%	0.805	S	S	*	*			trans	-74.2	145.4	178.6	-74.9	-173.5	174.5	-176.4	0	111.7
15	S	34.3	Very low	35.9	Very low	112 Å²	112	156.1 Å²	156.1	78%	0.783	80%	0.802	S	S	*	*			trans	-76.7	151.1	167.3	50	0	0	0	0	112.2
16	T	39.2	Very low	35.8	Very low	138 Å²	138	154.2 Å²	154.2	85%	0.847	81%	0.805	S	S	*	*			trans	-133.8	123	165.5	42.6	0	0	0	0	109.6
17	P	37.8	Very low	35.8	Very low	117 Å²	117	147.2 Å²	147.2	76%	0.76	80%	0.795	S	S	*	*			trans	-103.6	142	-177.2	36.5	-32.4	0	0	0	113.8
18	K	38.8	Very low	35.8	Very low	209 Å²	209	144 Å²	144	91%	0.909	80%	0.798	S	S	*	*			trans	176.9	127.5	150.7	-97.8	157.1	-176.1	-176.9	0	106
19	A	36.5	Very low	36.2	Very low	80 Å²	80	139.7 Å²	139.7	66%	0.661	79%	0.792	S	S	*	*			cis	124.7	125.2	14.5	0	0	0	0	0	107.9
20	T	37.1	Very low	36.4	Very low	132 Å²	132	139.5 Å²	139.5	81%	0.81	80%	0.796	S	S	*	*			trans	58	136.3	163.6	51	0	0	0	0	118.6
21	T	38.2	Very low	36.4	Very low	130 Å²	130	137.8 Å²	137.8	80%	0.798	79%	0.794	S	S	*	*			cis	-160.3	166.4	-5	4.9	0	0	0	0	108.9
22	P	40.5	Very low	36.6	Very low	113 Å²	113	133.7 Å²	133.7	73%	0.734	79%	0.788	S	S	*	*			trans	-102.1	163.1	-164.3	38.9	-36.2	0	0	0	115.9
23	R	33.6	Very low	36.5	Very low	228 Å²	228	135.4 Å²	135.4	86%	0.86	79%	0.79	S	S	*	*			trans	-179	147	137.4	-104.7	174.1	173.3	-155.1	-1.7	116.1
24	I	35.9	Very low	36.5	Very low	133 Å²	133	135.9 Å²	135.9	68%	0.682	79%	0.787	S	S	*	*			trans	77.1	99.9	140.1	-67	167.1	0	0	0	121.7
25	S	33.4	Very low	36.4	Very low	97 Å²	97	137 Å²	137	68%	0.678	79%	0.786	S	S	*	*				64.2	136.2	129.5	77.4	0	0	0	0	127.1
26	S	32.1	Very low	37	Very low	106 Å²	106	136 Å²	136	74%	0.741	78%	0.777	S	S	*	*				97.3	140.2	126.7	56.3	0	0	0	0	124.1
27	S	36.6	Very low	36.9	Very low	106 Å²	106	136 Å²	136	74%	0.741	77%	0.771	S	S	*	*			trans	66.8	86.2	152	55.4	0	0	0	0	123.2
28	A	34.1	Very low	36.9	Very low	97 Å²	97	138.6 Å²	138.6	80%	0.802	77%	0.771	S	S	*	*				62.6	176.4	106.4	0	0	0	0	0	120.3
29	P	40.6	Very low	36.8	Very low	126 Å²	126	133.7 Å²	133.7	82%	0.818	76%	0.758	S	S	*	*				-135.6	162.8	-115.6	36.2	-14.1	0	0	0	118.1
30	S	37.2	Very low	36.8	Very low	115 Å²	115	135.8 Å²	135.8	80%	0.804	76%	0.763	S	S	*	*			trans	-158.2	148.8	166.8	60	0	0	0	0	112.9
31	I	34.2	Very low	36.9	Very low	170 Å²	170	134 Å²	134	87%	0.872	76%	0.756	S	S	*	*			trans	-150.8	117.2	-179.4	-54.6	177.6	0	0	0	111.8
32	P	39.7	Very low	36.8	Very low	113 Å²	113	133.7 Å²	133.7	73%	0.734	75%	0.75	S	S	*	*			trans	-131.7	130.2	161.6	33.8	-17.6	0	0	0	115.7
33	L	32.1	Very low	36.7	Very low	152 Å²	152	134.7 Å²	134.7	80%	0.796	75%	0.749	S	S	*	*			trans	11.7	136.4	140.6	-66.4	162	0	0	0	121
34	H	38.2	Very low	36.7	Very low	187 Å²	187	129.1 Å²	129.1	87%	0.866	75%	0.745	S	S	*	*				-153.1	-179.7	105.5	-125.3	-101.2	0	0	0	114.4
35	R	33.3	Very low	37.1	Very low	215 Å²	215	128 Å²	128	81%	0.811	75%	0.746	S	S	*	*			trans	-159.1	-175	-161.7	-132.2	-170	163.3	-159.7	-3	107.5
36	P	48.5	Very low	37.2	Very low	92 Å²	92	129.6 Å²	129.6	60%	0.597	75%	0.752	S	S	*	*			cis	-132.5	-167.9	-21.1	41.8	-25.2	0	0	0	112.9
37	L	37.1	Very low	37.1	Very low	137 Å²	137	129.6 Å²	129.6	72%	0.717	75%	0.751	S	S	*	*				176.5	177	123.1	-89.3	173.9	0	0	0	108
38	F	37.1	Very low	36.9	Very low	173 Å²	173	132.4 Å²	132.4	76%	0.759	75%	0.75	S	S	*	*			cis	-134.3	-126.7	-1.6	-140.7	-36.5	0	0	0	111
39	T	36.7	Very low	36.8	Very low	105 Å²	105	133.9 Å²	133.9	64%	0.644	74%	0.744	S	S	*	*			trans	-149.7	157.6	-163.9	47.4	0	0	0	0	110.8
40	T	37.4	Very low	36.5	Very low	125 Å²	125	134.6 Å²	134.6	77%	0.767	74%	0.741	S	S	*	*			cis	-167.7	173.7	0.5	15.6	0	0	0	0	108
41	S	38.2	Very low	36.1	Very low	93 Å²	93	136 Å²	136	65%	0.65	74%	0.739	S	S	*	*			cis	-142.2	-109.2	-5.5	23.3	0	0	0	0	110.2
42	D	37.3	Very low	35.9	Very low	125 Å²	125	133.1 Å²	133.1	67%	0.668	73%	0.734	S	S	*	*			cis	-157.1	-156.1	-15	-146.7	-84	0	0	0	111.8
43	N	36.6	Very low	35.4	Very low	133 Å²	133	134 Å²	134	71%	0.711	74%	0.738	S	S	*	*			trans	-128.5	164.6	-153.8	-61.7	-71.6	0	0	0	113.5
44	S	35	Very low	35.4	Very low	111 Å²	111	136.7 Å²	136.7	78%	0.776	74%	0.743	S	S	*	*			cis	-163.1	173.1	-20.7	57.5	0	0	0	0	108.8
45	P	43.8	Very low	35	Very low	109 Å²	109	134.1 Å²	134.1	71%	0.708	74%	0.741	S	S	*	*			trans	-117.8	173.6	-154.9	42.7	-35.4	0	0	0	117
46	T	34.9	Very low	35	Very low	132 Å²	132	129.3 Å²	129.3	81%	0.81	74%	0.74	S	S	*	*				-176.4	151.5	121.3	22.3	0	0	0	0	116.2
47	C	31.2	Very low	34	Very low	106 Å²	106	129 Å²	129	72%	0.716	75%	0.745	S	S	*	*			trans	60.6	112.3	147.4	-70.1	0	0	0	0	124.3
48	K	32.1	Very low	33.9	Very low	164 Å²	164	131.1 Å²	131.1	71%	0.713	75%	0.748	S	S	*	*				95	116.6	120.6	-77	-169.6	161	-149.8	0	122.9
49	D	32.1	Very low	33.5	Very low	129 Å²	129	132.3 Å²	132.3	69%	0.69	75%	0.754	S	S	*	*				80.6	154.2	129.4	-53.4	-20.3	0	0	0	121.6
50	D	33.7	Very low	33.4	Very low	141 Å²	141	134.5 Å²	134.5	75%	0.754	76%	0.76	S	S	*	*			trans	68.8	110.4	173.2	-77.8	-46.4	0	0	0	123.9
51	N	28.9	Very low	33.2	Very low	143 Å²	143	133.2 Å²	133.2	77%	0.765	75%	0.754	S	S	*	*				41.3	109.7	127.6	-73.7	-59.2	0	0	0	120.6
52	S	30.4	Very low	32.9	Very low	110 Å²	110	135.5 Å²	135.5	77%	0.769	76%	0.764	S	S	*	*				178.3	162.3	108.2	48.2	0	0	0	0	114.5
53	T	29.1	Very low	32.6	Very low	132 Å²	132	132.6 Å²	132.6	81%	0.81	76%	0.757	S	S	*	*			trans	-54.2	129.7	175.5	47.2	0	0	0	0	114.2
54	K	31.9	Very low	32.3	Very low	208 Å²	208	133 Å²	133	90%	0.904	77%	0.765	S	S	*	*			trans	-119.1	111.4	158.1	-84.1	-176.6	176.1	172.9	0	112.2
55	V	29.5	Very low	32.1	Very low	134 Å²	134	133 Å²	133	81%	0.812	76%	0.76	S	S	*	*			trans	-63.2	136.9	167	177.5	0	0	0	0	108.7	A57	V55-A57 HydrophobicContact CG1-CB 4.36Å
56	S	32.6	Very low	31.5	Very low	114 Å²	114	133.3 Å²	133.3	80%	0.797	76%	0.76	S	S	*	*			trans	-116.5	99.7	164.1	-166.5	0	0	0	0	109.2
57	A	29.2	Very low	31.2	Very low	84 Å²	84	131.9 Å²	131.9	69%	0.694	75%	0.753	S	S	*	*			trans	-98.7	130.2	174.3	0	0	0	0	0	109.5	V55	V55-A57 HydrophobicContact CG1-CB 4.36Å
58	K	33.6	Very low	31.2	Very low	182 Å²	182	134.2 Å²	134.2	79%	0.791	76%	0.757	S	S	*	*			trans	-137	112.4	165.8	-75.9	-165.2	174	-173.9	0	111
59	F	30.4	Very low	31.2	Very low	199 Å²	199	137.7 Å²	137.7	87%	0.873	77%	0.766	S	S	*	*			trans	35.3	116.5	147.5	-63.4	-89.2	0	0	0	120
60	L	32.6	Very low	31.1	Very low	151 Å²	151	139 Å²	139	79%	0.791	77%	0.773	S	S	*	*			trans	-121.4	134.7	140.8	-87.5	164.6	0	0	0	107.4
61	P	35	Very low	31.1	Very low	98 Å²	98	139.9 Å²	139.9	64%	0.636	78%	0.777	S	S	*	*			trans	-82.8	148	-177.4	32.8	-34.4	0	0	0	112.5	A63	P61-A63 PolarHBondContact O-N 3.26Å
62	T	30.4	Very low	31.2	Very low	141 Å²	141	140.3 Å²	140.3	87%	0.865	78%	0.779	S	S	*	*			trans	-71.4	118.3	167.6	-7.9	0	0	0	0	109.4
63	A	31.6	Very low	31.3	Very low	63 Å²	63	142.8 Å²	142.8	52%	0.521	78%	0.784	S	S	.	*			trans	-105.2	114.6	178.5	0	0	0	0	0	111.2	P61	P61-A63 PolarHBondContact O-N 3.26Å
64	T	30.1	Very low	31.3	Very low	142 Å²	142	142.8 Å²	142.8	87%	0.871	78%	0.784	S	S	*	*			trans	-75.9	132.3	171.5	-24.9	0	0	0	0	109.6
65	V	31.6	Very low	31.2	Very low	111 Å²	111	138.9 Å²	138.9	67%	0.673	78%	0.777	S	S	*	*			trans	-112.6	118.4	177.1	-178.6	0	0	0	0	109.7
66	T	29.9	Very low	31.2	Very low	115 Å²	115	144.1 Å²	144.1	71%	0.706	78%	0.782	S	S	*	*			trans	-85.5	131.6	173.9	36.6	0	0	0	0	110.8	I68	T66-I68 PolarHBondContact O-N 3.5Å
67	P	29.5	Very low	31	Very low	103 Å²	103	143.8 Å²	143.8	67%	0.669	78%	0.78	S	S	*	*			trans	-81.2	112	177.1	31.1	-32.2	0	0	0	110.6
68	I	31.1	Very low	31.3	Very low	154 Å²	154	145.8 Å²	145.8	79%	0.79	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-78.8	124	169.9	-62.1	177.5	0	0	0	108.4	T66	T66-I68 PolarHBondContact O-N 3.5Å
69	R	31.3	Very low	31.1	Very low	238 Å²	238	142.1 Å²	142.1	90%	0.898	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-80.6	134.3	167	-83.1	178.4	163.1	172.2	-6.9	108.9	N71	R69-N71 PolarHBondContact O-N 3.28Å
70	N	31.3	Very low	31.4	Very low	156 Å²	156	138.6 Å²	138.6	83%	0.834	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-64.8	132.9	165.8	-71.5	-0.2	0	0	0	109.9
71	N	32.8	Very low	31.3	Very low	159 Å²	159	138.7 Å²	138.7	85%	0.85	78%	0.782	S	S	*	*			trans	-134.9	153.9	148.7	-111.2	-0.1	0	0	0	106.7	R69	R69-N71 PolarHBondContact O-N 3.28Å
72	N	31.1	Very low	31.2	Very low	152 Å²	152	141.1 Å²	141.1	81%	0.813	79%	0.789	S	S	*	*			trans	-68.4	138.9	-177.2	-52.5	-40.1	0	0	0	110.6
73	D	33.1	Very low	31	Very low	162 Å²	162	141.9 Å²	141.9	87%	0.866	79%	0.787	S	S	*	*				-170.9	170.4	115.4	-97	-25.8	0	0	0	112.3
74	V	28	Very low	31	Very low	133 Å²	133	145.8 Å²	145.8	81%	0.806	80%	0.798	S	S	*	*			trans	-91.1	136.9	-172.8	-178.1	0	0	0	0	111
75	V	30.7	Very low	30.8	Very low	126 Å²	126	142.1 Å²	142.1	76%	0.764	78%	0.778	S	S	*	*			trans	165.2	130.8	135.4	154	0	0	0	0	112.5
76	R	29	Very low	30.8	Very low	243 Å²	243	143 Å²	143	92%	0.917	78%	0.778	S	S	*	*			trans	27.7	136.5	155.7	-63.4	-179.2	171.6	-173.8	-4.1	122.5
77	S	28.3	Very low	30.7	Very low	108 Å²	108	145 Å²	145	76%	0.755	78%	0.779	S	S	*	*			trans	-75.7	166.9	171.3	51.3	0	0	0	0	115
78	P	36.1	Very low	30.7	Very low	126 Å²	126	148.2 Å²	148.2	82%	0.818	79%	0.785	S	S	*	*				-132.3	158.5	117.3	38.2	-31.2	0	0	0	114.2
79	S	29.2	Very low	30.6	Very low	105 Å²	105	148.3 Å²	148.3	73%	0.734	78%	0.782	S	S	*	*			trans	-88.4	167.8	179	-48.1	0	0	0	0	113.5
80	P	37.9	Very low	30.5	Very low	124 Å²	124	141.3 Å²	141.3	81%	0.805	77%	0.769	S	S	*	*			trans	-126.5	163	130.8	37.6	-31.1	0	0	0	112.9
81	D	28.9	Very low	30.4	Very low	154 Å²	154	140.3 Å²	140.3	82%	0.824	76%	0.763	S	S	*	*			trans	-85.3	148.6	-164.2	-43.4	-85.3	0	0	0	115.3
82	L	33.4	Very low	30.2	Very low	149 Å²	149	141.5 Å²	141.5	78%	0.78	76%	0.764	S	S	*	*			trans	-160.9	100.8	160.4	-118	165.9	0	0	0	111.3	I84	L82-I84 PolarHBondContact O-N 3.35Å
83	D	25.7	Very low	30.3	Very low	157 Å²	157	140.1 Å²	140.1	84%	0.84	76%	0.761	S	S	*	*			trans	-67.5	112.1	-177.8	-82.9	-51.3	0	0	0	113.3
84	I	31.4	Very low	30.1	Very low	144 Å²	144	137.8 Å²	137.8	74%	0.738	75%	0.754	S	S	*	*			trans	-131.5	76.6	161	-52.6	-177.3	0	0	0	108.9	L82 I86	L82-I84 PolarHBondContact O-N 3.35Å; I84-I86 PolarHBondContact O-N 3Å; I84-I86 VanDerWaalsContact O-N 3.16Å
85	S	27.2	Very low	30	Very low	65 Å²	65	136.8 Å²	136.8	46%	0.455	75%	0.753	S	S	.	*			trans	-71.8	108.6	174.9	53.8	0	0	0	0	111.8	R616	S85-R616 PolarHBondContact O-NH2 3.42Å; S85-R616 VanDerWaalsContact O-NH2 3.11Å
86	I	30.6	Very low	30.2	Very low	130 Å²	130	136.7 Å²	136.7	67%	0.667	76%	0.755	S	S	*	*			trans	-97	95.5	150.7	-59.3	178.8	0	0	0	105.1	I84 E88	I84-I86 PolarHBondContact O-N 3Å; I84-I86 VanDerWaalsContact O-N 3.16Å; I86-E88 PolarHBondContact O-N 3.11Å; I86-E88 VanDerWaalsContact O-N 3.12Å
87	H	27.8	Very low	30.1	Very low	157 Å²	157	130.1 Å²	130.1	73%	0.727	75%	0.746	S	S	*	*			trans	-71.5	103	170.2	-82.2	-83.7	0	0	0	109.1	E89	H87-E89 PolarHBondContact O-N 3.22Å
88	E	30.7	Very low	30.2	Very low	170 Å²	170	136.4 Å²	136.4	79%	0.794	75%	0.754	S	S	*	*			trans	-72.1	104.9	141.9	-66.9	-168.9	127.1	0	0	106.5	I86 S90	I86-E88 PolarHBondContact O-N 3.11Å; I86-E88 VanDerWaalsContact O-N 3.12Å; E88-S90 PolarHBondContact O-N 3.43Å
89	E	27.9	Very low	29.9	Very low	156 Å²	156	139.2 Å²	139.2	73%	0.729	75%	0.753	S	S	*	*			trans	-83.7	66.4	179.1	-166.5	172.7	-138.9	0	0	110	H87 L91	H87-E89 PolarHBondContact O-N 3.22Å; E89-L91 PolarHBondContact O-N 3.44Å
90	S	29.6	Very low	30	Very low	91 Å²	91	141 Å²	141	64%	0.636	75%	0.754	S	S	*	*			trans	-64.7	116.7	166.8	-62.8	0	0	0	0	108.9	E88 E92	E88-S90 PolarHBondContact O-N 3.43Å; S90-E92 PolarHBondContact O-N 2.81Å
91	L	28.4	Very low	29.8	Very low	136 Å²	136	144 Å²	144	71%	0.712	76%	0.758	S	S	*	*			trans	-76.2	68.2	179.7	-78.7	167	0	0	0	111.7	E89 V93	E89-L91 PolarHBondContact O-N 3.44Å; L91-V93 PolarHBondContact O-N 2.74Å; L91-V93 VanDerWaalsContact O-N 3.11Å
92	E	28.8	Very low	29.9	Very low	183 Å²	183	142 Å²	142	86%	0.855	76%	0.756	S	S	*	*			trans	-69.6	100	163.3	-68.8	-164.3	156.2	0	0	109.2	S90 P94	S90-E92 PolarHBondContact O-N 2.81Å; E92-P94 WeakPolarHBondContact O-CD 3.24Å
93	V	33.4	Very low	29.8	Very low	124 Å²	124	144 Å²	144	75%	0.752	76%	0.761	S	S	*	*			trans	-81.9	114.1	171.3	179.3	0	0	0	0	108.4	L91 S95	L91-V93 PolarHBondContact O-N 2.74Å; L91-V93 VanDerWaalsContact O-N 3.11Å; V93-S95 PolarHBondContact O-N 2.83Å
94	P	29.7	Very low	30.2	Very low	113 Å²	113	141.7 Å²	141.7	73%	0.734	76%	0.755	S	S	*	*			trans	-71.7	122.8	176.9	29.1	-33.5	0	0	0	110	E92 P96	E92-P94 WeakPolarHBondContact O-CD 3.24Å; P94-P96 WeakPolarHBondContact O-CD 3.45Å
95	S	25	Very low	30.1	Very low	112 Å²	112	141.1 Å²	141.1	78%	0.783	76%	0.757	S	S	*	*			trans	-80.2	121.3	177.6	45.1	0	0	0	0	112	V93	V93-S95 PolarHBondContact O-N 2.83Å
96	P	34.4	Very low	30.4	Very low	123 Å²	123	147.6 Å²	147.6	80%	0.799	78%	0.781	S	S	*	*			trans	-96.4	115.7	168.6	8.1	13	0	0	0	109.7	P94	P94-P96 WeakPolarHBondContact O-CD 3.45Å
97	S	28	Very low	30.6	Very low	105 Å²	105	148.3 Å²	148.3	73%	0.734	79%	0.786	S	S	*	*			trans	-109.2	83.6	-172.5	59	0	0	0	0	112.8
98	W	31.1	Very low	31.2	Very low	240 Å²	240	146.2 Å²	146.2	91%	0.909	79%	0.786	S	S	*	*			trans	-136.8	115.1	176.9	-75.3	79.3	0	0	0	112.1
99	F	29.9	Very low	31.5	Very low	186 Å²	186	143.3 Å²	143.3	82%	0.816	78%	0.784	S	S	*	*			trans	-67	165.8	142.1	-79	-113.6	0	0	0	107.8
100	D	30.3	Very low	32.1	Very low	141 Å²	141	141.3 Å²	141.3	75%	0.754	79%	0.785	S	S	*	*			cis	-151.9	-163.8	15	-146.5	-31.8	0	0	0	110.4
101	E	33	Very low	32.4	Very low	188 Å²	188	144.8 Å²	144.8	88%	0.879	80%	0.796	S	S	*	*			trans	82.8	126.8	166.2	-57	-163.9	138.4	0	0	117.6
102	S	31.4	Very low	32.8	Very low	111 Å²	111	143.8 Å²	143.8	78%	0.776	80%	0.797	S	S	*	*			trans	-117.6	150.4	-173.3	57.2	0	0	0	0	111.2
103	E	30.9	Very low	33	Very low	193 Å²	193	141.2 Å²	141.2	90%	0.902	79%	0.794	S	S	*	*			trans	-148.2	158.6	143.9	-85.8	-131.4	129.4	0	0	110.8
104	P	34	Very low	33.1	Very low	107 Å²	107	144.5 Å²	144.5	70%	0.695	80%	0.802	S	S	*	*			trans	-106.2	151.2	-159.7	38.6	-33.8	0	0	0	116.8
105	V	30.1	Very low	33.3	Very low	132 Å²	132	145.6 Å²	145.6	80%	0.8	80%	0.801	S	S	*	*			trans	22.5	119.4	145	-172.4	0	0	0	0	119.3
106	E	34.4	Very low	33.9	Very low	201 Å²	201	148.9 Å²	148.9	94%	0.939	81%	0.809	S	S	*	*			trans	-142.8	148.4	140.9	-138.2	178.5	-135.1	0	0	111.1
107	N	33.7	Very low	33.8	Very low	146 Å²	146	148 Å²	148	78%	0.781	80%	0.802	S	S	*	*			trans	-161.9	119.8	-165.4	-167.7	17	0	0	0	112.1
108	P	41.4	Very low	34.2	Very low	112 Å²	112	150.2 Å²	150.2	73%	0.727	80%	0.804	S	S	*	*			trans	-125.6	99.7	176.9	35.7	-21.1	0	0	0	116.2
109	S	36.2	Very low	34.4	Very low	109 Å²	109	145.6 Å²	145.6	76%	0.762	80%	0.797	S	S	*	*			trans	61.6	150.8	136.4	55.3	0	0	0	0	123.8
110	P	41.2	Very low	34.5	Very low	114 Å²	114	147.8 Å²	147.8	74%	0.74	80%	0.8	S	S	*	*			trans	-112.1	-176.7	179.6	44	-35.7	0	0	0	114.4
111	L	34.6	Very low	34.8	Very low	164 Å²	164	145.8 Å²	145.8	86%	0.859	80%	0.795	S	S	*	*			trans	152.9	168.3	152	-86.7	160.7	0	0	0	110.8
112	P	37.2	Very low	34.8	Very low	115 Å²	115	142.4 Å²	142.4	75%	0.747	79%	0.787	S	S	*	*			cis	-128.7	-177	-27	37.5	-20.4	0	0	0	114
113	T	32.6	Very low	35	Very low	129 Å²	129	142.9 Å²	142.9	79%	0.791	78%	0.781	S	S	*	*			trans	-93.8	167	173.2	41.9	0	0	0	0	114.3
114	Q	35.7	Very low	35.2	Very low	194 Å²	194	141 Å²	141	91%	0.907	77%	0.77	S	S	*	*			trans	-137	154.5	155.5	-80.3	-166.2	-17.5	0	0	111.5
115	D	34.1	Very low	35.3	Very low	136 Å²	136	142.5 Å²	142.5	73%	0.727	78%	0.777	S	S	*	*			trans	-92.4	169	-163	-56.9	-89.5	0	0	0	116.1
116	L	36.9	Very low	35.4	Very low	181 Å²	181	141.2 Å²	141.2	95%	0.948	77%	0.774	S	S	*	*				-150.9	128.1	128.7	-107.3	169.9	0	0	0	109.9
117	T	32.8	Very low	35.4	Very low	105 Å²	105	137.5 Å²	137.5	64%	0.644	77%	0.768	S	S	*	*			trans	-117.6	162.7	-172.5	57.3	0	0	0	0	112.1
118	L	36.1	Very low	35.5	Very low	151 Å²	151	137.5 Å²	137.5	79%	0.791	77%	0.773	S	S	*	*			trans	-178.5	141	133.2	-95.7	154.5	0	0	0	114
119	N	36.4	Very low	34.9	Very low	142 Å²	142	137.3 Å²	137.3	76%	0.759	77%	0.774	S	S	*	*			trans	74.4	86.7	152.7	-61.6	-16.3	0	0	0	124
120	R	31.1	Very low	34.7	Very low	232 Å²	232	137.7 Å²	137.7	88%	0.875	78%	0.777	S	S	*	*			trans	-30.1	-179.3	132.5	-105.3	-178.8	170.7	-167	-1.3	118.3
121	P	37.9	Very low	34.2	Very low	100 Å²	100	139.4 Å²	139.4	65%	0.649	78%	0.778	S	S	*	*			cis	-142.8	161.4	-10.4	34.8	-13.4	0	0	0	119.6
122	T	32.4	Very low	34.3	Very low	116 Å²	116	137 Å²	137	71%	0.712	77%	0.772	S	S	*	*			trans	22.1	128.2	144.6	63.6	0	0	0	0	124.9
123	D	35	Very low	34.1	Very low	121 Å²	121	140 Å²	140	65%	0.647	78%	0.776	S	S	*	*				174.3	165.5	119	-101.7	16.2	0	0	0	112
124	K	35.1	Very low	34	Very low	154 Å²	154	140 Å²	140	67%	0.67	78%	0.776	S	S	*	*			cis	-165.6	158.4	-28.7	-121.8	-174.5	-159.1	77.1	0	109.1
125	T	36.1	Very low	33.9	Very low	138 Å²	138	136.7 Å²	136.7	85%	0.847	77%	0.772	S	S	*	*			trans	59	157.9	169	49.3	0	0	0	0	117.3
126	S	33.2	Very low	33.8	Very low	105 Å²	105	135.4 Å²	135.4	73%	0.734	77%	0.773	S	S	*	*			cis	-152.7	161	-9.8	44.9	0	0	0	0	110.5
127	P	33.7	Very low	33.5	Very low	124 Å²	124	135.3 Å²	135.3	81%	0.805	77%	0.773	S	S	*	*			trans	-112.2	141.7	175.2	37.7	-28.3	0	0	0	114
128	V	35.4	Very low	33.5	Very low	146 Å²	146	136 Å²	136	89%	0.885	78%	0.776	S	S	*	*			trans	-141.7	142.9	167.7	-178.7	0	0	0	0	110.5
129	S	29.3	Very low	33.1	Very low	107 Å²	107	133.5 Å²	133.5	75%	0.748	77%	0.771	S	S	*	*			trans	-98.3	158.7	-179.5	54.3	0	0	0	0	113.2
130	S	33	Very low	32.8	Very low	118 Å²	118	136.3 Å²	136.3	83%	0.825	78%	0.777	S	S	*	*			trans	-154.6	126.6	149.8	47	0	0	0	0	112.5
131	I	30.3	Very low	32.7	Very low	150 Å²	150	130.7 Å²	130.7	77%	0.769	77%	0.769	S	S	*	*			trans	-112.6	137.5	166	-67.5	168	0	0	0	106.2	Q133	I131-Q133 HydrophobicContact CG2-CG 4.16Å
132	P	36.8	Very low	32.2	Very low	114 Å²	114	131.3 Å²	131.3	74%	0.74	78%	0.776	S	S	*	*			trans	-108.4	113.7	153	-0.3	21	0	0	0	109.9
133	Q	31.4	Very low	32.1	Very low	178 Å²	178	132 Å²	132	83%	0.832	78%	0.78	S	S	*	*			trans	-84.4	133.1	156.3	-71.1	-179.5	-11.9	0	0	107.9	I131	I131-Q133 HydrophobicContact CG2-CG 4.16Å
134	T	32.2	Very low	31.7	Very low	128 Å²	128	132.1 Å²	132.1	79%	0.785	78%	0.784	S	S	*	*			trans	-130.6	100.3	171.2	39.1	0	0	0	0	110.4
135	P	32.4	Very low	31.5	Very low	125 Å²	125	130 Å²	130	81%	0.812	79%	0.79	S	S	*	*			trans	-85	116.8	169.4	32.2	-29.4	0	0	0	109.9
136	S	32.8	Very low	31.2	Very low	108 Å²	108	129.5 Å²	129.5	76%	0.755	79%	0.786	S	S	*	*			trans	-117.5	77.3	172.2	64.6	0	0	0	0	111	V138	S136-V138 PolarHBondContact O-N 3.14Å
137	L	29.2	Very low	31	Very low	180 Å²	180	129.5 Å²	129.5	94%	0.942	79%	0.786	S	S	*	*			trans	-66.3	111.2	159.5	-93	158.5	0	0	0	108
138	V	34	Very low	30.6	Very low	119 Å²	119	133.1 Å²	133.1	72%	0.721	79%	0.789	S	S	*	*			trans	-119.8	105.7	165	-177.4	0	0	0	0	107.7	S136	S136-V138 PolarHBondContact O-N 3.14Å
139	S	27.5	Very low	30.5	Very low	98 Å²	98	131.7 Å²	131.7	69%	0.685	78%	0.783	S	S	*	*			trans	-72.2	130.4	173.4	52.8	0	0	0	0	110.7
140	F	30.1	Very low	30.4	Very low	202 Å²	202	132 Å²	132	89%	0.886	78%	0.783	S	S	*	*			trans	-119.8	122.3	148.9	-101.5	-85.4	0	0	0	109.2
141	T	28.5	Very low	30	Very low	114 Å²	114	134 Å²	134	70%	0.699	78%	0.784	S	S	*	*			trans	-97.7	165.6	-177.9	44	0	0	0	0	111
142	S	28.2	Very low	29.9	Very low	113 Å²	113	134.7 Å²	134.7	79%	0.79	78%	0.784	S	S	*	*			trans	71.1	153.5	175	83.9	0	0	0	0	115.2
143	V	30.4	Very low	29.5	Very low	131 Å²	131	135.1 Å²	135.1	79%	0.794	78%	0.78	S	S	*	*			cis	-125.8	152.8	5.6	-173.7	0	0	0	0	110
144	T	26.3	Very low	29.4	Very low	122 Å²	122	135.4 Å²	135.4	75%	0.748	78%	0.781	S	S	*	*			trans	-85.8	178	175.8	43.8	0	0	0	0	113.3
145	S	30.7	Very low	29	Very low	111 Å²	111	134.2 Å²	134.2	78%	0.776	78%	0.778	S	S	*	*			trans	81.6	153.3	165	94.1	0	0	0	0	116
146	V	29.6	Very low	28.9	Very low	126 Å²	126	138.9 Å²	138.9	76%	0.764	78%	0.78	S	S	*	*			cis	-163.3	167	-12.3	113.3	0	0	0	0	111.3
147	S	30.3	Very low	28.7	Very low	106 Å²	106	141 Å²	141	74%	0.741	78%	0.782	S	S	*	*			trans	66.2	128.7	159.1	58	0	0	0	0	123.3
148	K	24	Very low	28.7	Very low	199 Å²	199	137.6 Å²	137.6	87%	0.865	77%	0.769	S	S	*	*			trans	-90.9	179.3	131.3	-49.2	176.1	176	177.8	0	108
149	P	34	Very low	28.5	Very low	117 Å²	117	140.4 Å²	140.4	76%	0.76	77%	0.774	S	S	*	*			cis	-135.3	-150.7	-3.6	43.2	-23.4	0	0	0	113.4
150	C	27.5	Very low	28.3	Very low	112 Å²	112	140 Å²	140	76%	0.757	78%	0.777	S	S	*	*			trans	107.4	130.6	171.3	-60.9	0	0	0	0	113.9
151	L	25	Very low	28.1	Very low	160 Å²	160	140.1 Å²	140.1	84%	0.838	78%	0.778	S	S	*	*			cis	68.1	95.9	38.1	-72.7	171.8	0	0	0	115
152	Q	27.5	Very low	27.8	Very low	166 Å²	166	140 Å²	140	78%	0.776	78%	0.781	S	S	*	*				177.3	153.4	105.8	-96.1	-178.5	9.5	0	0	113.7
153	N	27.1	Very low	27.9	Very low	123 Å²	123	140.6 Å²	140.6	66%	0.658	78%	0.78	S	S	*	*			trans	39.2	125.3	147.2	-53.4	-10.8	0	0	0	121.9
154	E	29.6	Very low	27.7	Very low	183 Å²	183	142.3 Å²	142.3	86%	0.855	78%	0.78	S	S	*	*				-128.2	150.2	111.7	-83.4	-141.8	122.1	0	0	109.5
155	S	24.7	Very low	28	Very low	103 Å²	103	144.4 Å²	144.4	72%	0.72	79%	0.786	S	S	*	*			trans	-150.6	125.3	-178.2	-58.5	0	0	0	0	111.5
156	R	30.8	Very low	27.8	Very low	224 Å²	224	143.4 Å²	143.4	85%	0.845	78%	0.779	S	S	*	*			trans	-143.3	119.9	166.7	-67.7	-170.7	-179.7	-178.9	1.5	106.8
157	N	28.5	Very low	27.9	Very low	151 Å²	151	144.3 Å²	144.3	81%	0.807	78%	0.78	S	S	*	*				67.8	132.7	76.3	-75.5	-10.6	0	0	0	111.6
158	V	28.8	Very low	27.9	Very low	109 Å²	109	147.3 Å²	147.3	66%	0.661	79%	0.786	S	S	*	*			cis	-161.4	166.4	16.4	87	0	0	0	0	114.2
159	Q	28.5	Very low	28.3	Very low	179 Å²	179	141.6 Å²	141.6	84%	0.836	78%	0.784	S	S	*	*			trans	69.6	134.6	160.3	-77.8	159.8	-8.3	0	0	120.4
160	A	23.5	Very low	28.3	Very low	90 Å²	90	140.9 Å²	140.9	74%	0.744	78%	0.782	S	S	*	*			trans	-103.6	163.6	163.6	0	0	0	0	0	109.9
161	F	27.1	Very low	28.8	Very low	204 Å²	204	141.9 Å²	141.9	90%	0.895	78%	0.775	S	S	*	*			trans	-143	127.5	156.5	-118.2	-82.6	0	0	0	109.8
162	S	21.7	Very low	29.6	Very low	110 Å²	110	139.8 Å²	139.8	77%	0.769	77%	0.765	S	S	*	*			trans	-125.9	125.5	-179.7	54.1	0	0	0	0	109.4
163	T	29.7	Very low	30.3	Very low	126 Å²	126	138.1 Å²	138.1	77%	0.773	76%	0.761	S	S	*	*			trans	-153.2	141.4	168.3	11.1	0	0	0	0	109.3
164	E	26.7	Very low	31.1	Very low	168 Å²	168	137.7 Å²	137.7	79%	0.785	77%	0.768	S	S	*	*			trans	-78.2	161.7	-176.3	-51.8	111.6	133.7	0	0	113
165	N	32	Very low	31.6	Very low	166 Å²	166	135.1 Å²	135.1	89%	0.888	76%	0.764	S	S	*	*				-170	157.9	117.9	-102.8	-68	0	0	0	112.2
166	S	28	Very low	32.9	Very low	89 Å²	89	135.7 Å²	135.7	62%	0.622	77%	0.768	S	S	*	*			trans	-107.3	153.3	-171.5	53.6	0	0	0	0	113.7
167	N	31.9	Very low	34	Very low	146 Å²	146	130.4 Å²	130.4	78%	0.781	76%	0.756	S	S	*	*				175.2	172.6	121.1	-91.1	-54.9	0	0	0	114
168	L	29.9	Very low	35.3	Very low	168 Å²	168	126.2 Å²	126.2	88%	0.88	74%	0.737	S	S	*	*			trans	-97	160.3	-158.6	-68.8	65.7	0	0	0	115.9
169	G	32	Very low	36.7	Very low	79 Å²	79	128.3 Å²	128.3	81%	0.814	74%	0.739	S	S	*	*			trans	177.1	148.6	164.1	0	0	0	0	0	112.7
170	S	33.7	Very low	37.9	Very low	103 Å²	103	121.5 Å²	121.5	72%	0.72	71%	0.712	S	S	*	*			trans	-143	171.2	-162.8	60.1	0	0	0	0	117.9
171	H	38.6	Very low	39.6	Very low	132 Å²	132	122.6 Å²	122.6	61%	0.611	70%	0.7	S	S	*	*			trans	93.6	112.1	164.4	-70.2	-71.8	0	0	0	121.9
172	D	40.6	Very low	41.5	Very low	116 Å²	116	115.8 Å²	115.8	62%	0.62	67%	0.668	S	S	*	*				52.2	156.4	111.1	-53.5	-0.7	0	0	0	123.9
173	D	42.3	Very low	43.3	Very low	132 Å²	132	113.3 Å²	113.3	71%	0.706	65%	0.651	S	S	*	*			cis	-166	158.6	-41.2	-159.6	11.4	0	0	0	110.1
174	S	44.2	Very low	45	Very low	113 Å²	113	110 Å²	110	79%	0.79	63%	0.633	S	S	*	*			trans	161.4	122.2	144.5	45.5	0	0	0	0	112.2
175	V	40.2	Very low	46.9	Very low	129 Å²	129	104.1 Å²	104.1	78%	0.782	61%	0.607	S	S	*	*			trans	-128.4	121.3	175.3	-178.3	0	0	0	0	110.1	I177	V175-I177 PolarHBondContact O-N 3.46Å
176	S	51.5	Low	48.8	Very low	115 Å²	115	97.2 Å²	97.2	80%	0.804	57%	0.571	S	S	*	*			trans	-85	107.3	179.8	60.9	0	0	0	0	111.9
177	I	54.9	Low	50.9	Low	114 Å²	114	99.5 Å²	99.5	59%	0.585	57%	0.57	S	S	*	*			trans	-73.3	123.1	176.1	-60.1	175.7	0	0	0	110	V175 Q179 F181	V175-I177 PolarHBondContact O-N 3.46Å; I177-Q179 PolarHBondContact O-N 3.19Å; I177-F181 HydrophobicContact CG2-CB 4.02Å; I177-F181 HydrophobicContact CG2-CD1 3.45Å; I177-F181 VanDerWaalsContact CG2-CD1 3.45Å; I177-F181 HydrophobicContact CG2-CE1 4.24Å; I177-F181 HydrophobicContact CG2-CG 4.1Å
178	P	55.7	Low	52.5	Low	62 Å²	62	94.5 Å²	94.5	40%	0.403	55%	0.549	S	S	.	.			trans	-72.2	130.4	178.2	29.6	-33.9	0	0	0	110.3	S180 F181 H345	P178-S180 PolarHBondContact O-N 3.42Å; P178-F181 HydrophobicContact CG-CB 4.29Å; P178-F181 VanDerWaalsContact O-CB 3.23Å; P178-F181 WeakPolarHBondContact O-CB 2.98Å; P178-F181 PolarHBondContact O-N 2.91Å; P178-H345 WeakPolarHBondContact CB-NE2 3.26Å; P178-H345 WeakPolarHBondContact CG-NE2 3.09Å; P178-H345 PolarHBondContact O-NE2 3.01Å
179	Q	57.4	Low	54.7	Low	153 Å²	153	86.5 Å²	86.5	72%	0.715	51%	0.507	S	S	*	.	H	α-helix	trans	-65.2	-12.2	-165.5	-160.6	168.5	12.8	0	0	115.1	I177 Y182 S183	I177-Q179 PolarHBondContact O-N 3.19Å; Q179-Y182 HydrophobicContact CG-CD1 4.14Å; Q179-S183 WeakPolarHBondContact O-CB 3.44Å; Q179-S183 PolarHBondContact O-N 2.78Å
180	S	54.1	Low	56.7	Low	37 Å²	37	86 Å²	86	26%	0.259	49%	0.485	S	S	.	.	H	α-helix	trans	-69.7	-27.9	165.5	62.6	0	0	0	0	115.1	P178 S183 S184 H345	P178-S180 PolarHBondContact O-N 3.42Å; S180-S183 PolarHBondContact O-N 3.48Å; S180-S184 VanDerWaalsContact O-CB 3.29Å; S180-S184 WeakPolarHBondContact O-CB 2.95Å; S180-S184 PolarHBondContact O-N 3.32Å; S180-S184 PolarHBondContact O-OG 3.26Å; S180-H345 WeakPolarHBondContact CA-ND1 3.49Å; S180-H345 WeakPolarHBondContact CA-NE2 3.42Å; S180-H345 WeakPolarHBondContact CB-CD2 3.44Å; S180-H345 WeakPolarHBondContact CB-CE1 3.41Å; S180-H345 WeakPolarHBondContact CB-ND1 3.46Å; S180-H345 WeakPolarHBondContact CB-NE2 2.96Å; S180-H345 PolarHBondContact N-NE2 3.49Å; S180-H345 WeakPolarHBondContact OG-CA 2.87Å; S180-H345 VanDerWaalsContact OG-CB 3.3Å; S180-H345 WeakPolarHBondContact OG-CB 3.32Å; S180-H345 PolarHBondContact OG-CD2 3.11Å; S180-H345 PolarHBondContact OG-CE1 3.07Å; S180-H345 PolarHBondContact OG-ND1 3.33Å; S180-H345 PolarHBondContact OG-NE2 2.86Å
181	F	58.8	Low	58.8	Low	112 Å²	112	86.8 Å²	86.8	49%	0.491	48%	0.481	S	S	.	.	H	α-helix	trans	-64.3	-51	170.2	-176.8	-98	0	0	0	108.2	I177 P178 S183 S184 I185 H345	I177-F181 HydrophobicContact CG2-CB 4.02Å; I177-F181 HydrophobicContact CG2-CD1 3.45Å; I177-F181 VanDerWaalsContact CG2-CD1 3.45Å; I177-F181 HydrophobicContact CG2-CE1 4.24Å; I177-F181 HydrophobicContact CG2-CG 4.1Å; P178-F181 HydrophobicContact CG-CB 4.29Å; P178-F181 VanDerWaalsContact O-CB 3.23Å; P178-F181 WeakPolarHBondContact O-CB 2.98Å; P178-F181 PolarHBondContact O-N 2.91Å; F181-S183 VanDerWaalsContact C-N 3.34Å; F181-S183 PolarHBondContact O-N 2.85Å; F181-S184 PolarHBondContact O-N 3.46Å; F181-I185 HydrophobicContact CD1-CD1 3.49Å; F181-I185 VanDerWaalsContact CD1-CD1 3.49Å; F181-I185 HydrophobicContact CE1-CD1 3.5Å; F181-I185 VanDerWaalsContact CE1-CD1 3.5Å; F181-I185 HydrophobicContact CG-CD1 4.26Å; F181-I185 HydrophobicContact CZ-CD1 4.23Å; F181-I185 WeakPolarHBondContact O-CB 3.03Å; F181-I185 VanDerWaalsContact O-CG1 3.23Å; F181-I185 WeakPolarHBondContact O-CG1 3.21Å; F181-I185 PolarHBondContact O-N 3.22Å; F181-H345 PolarHBondContact N-CE1 3.08Å; F181-H345 PolarHBondContact N-ND1 2.6Å; F181-H345 PolarHBondContact N-NE2 3.21Å
182	Y	68.6	Low	60.2	Low	61 Å²	61	81.1 Å²	81.1	24%	0.239	46%	0.455	C	S	.	.	H	α-helix	trans	-56	-40.3	172.2	177.1	-84.1	0	0	0	113.5	Q179 I185 C186 I223 I224 I225	Q179-Y182 HydrophobicContact CG-CD1 4.14Å; Y182-I185 WeakPolarHBondContact O-CB 3.14Å; Y182-I185 PolarHBondContact O-N 3.13Å; Y182-C186 WeakPolarHBondContact CE1-SG 2.99Å; Y182-C186 PolarHBondContact O-N 2.8Å; Y182-C186 PolarHBondContact O-SG 2.83Å; Y182-C186 VanDerWaalsContact O-SG 3.35Å; Y182-I223 VanDerWaalsContact OH-CA 3.26Å; Y182-I223 WeakPolarHBondContact OH-CA 3.19Å; Y182-I223 WeakPolarHBondContact OH-CG2 3.38Å; Y182-I224 PolarHBondContact OH-N 2.89Å; Y182-I225 HydrophobicContact CD2-CD1 3.9Å; Y182-I225 HydrophobicContact CE2-CD1 3.5Å; Y182-I225 VanDerWaalsContact CE2-CD1 3.5Å
183	S	58.2	Low	61.9	Low	59 Å²	59	78.8 Å²	78.8	41%	0.413	44%	0.44	S	S	.	.	H	α-helix	trans	-80.4	-30.3	179.8	-174.5	0	0	0	0	113.9	Q179 S180 F181 I185 C186 K187	Q179-S183 WeakPolarHBondContact O-CB 3.44Å; Q179-S183 PolarHBondContact O-N 2.78Å; S180-S183 PolarHBondContact O-N 3.48Å; F181-S183 VanDerWaalsContact C-N 3.34Å; F181-S183 PolarHBondContact O-N 2.85Å; S183-I185 VanDerWaalsContact C-N 3.33Å; S183-C186 PolarHBondContact O-N 2.98Å; S183-K187 PolarHBondContact O-N 3.15Å
184	S	66.9	Low	63.5	Low	55 Å²	55	79 Å²	79	39%	0.385	44%	0.441	S	S	.	.	H	α-helix	trans	-64.4	-40.7	165.8	-72.9	0	0	0	0	110.2	S180 F181 K187 A188	S180-S184 VanDerWaalsContact O-CB 3.29Å; S180-S184 WeakPolarHBondContact O-CB 2.95Å; S180-S184 PolarHBondContact O-N 3.32Å; S180-S184 PolarHBondContact O-OG 3.26Å; F181-S184 PolarHBondContact O-N 3.46Å; S184-K187 PolarHBondContact O-N 2.9Å; S184-A188 WeakPolarHBondContact O-CB 3.47Å; S184-A188 PolarHBondContact O-N 3.49Å
185	I	65.8	Low	64.9	Low	46 Å²	46	76.1 Å²	76.1	24%	0.236	42%	0.417	C	S	.	.	H	α-helix	trans	-60.4	-48.4	170	-68.9	163.3	0	0	0	110.2	F181 Y182 S183 K187 A188 C189 I225	F181-I185 HydrophobicContact CD1-CD1 3.49Å; F181-I185 VanDerWaalsContact CD1-CD1 3.49Å; F181-I185 HydrophobicContact CE1-CD1 3.5Å; F181-I185 VanDerWaalsContact CE1-CD1 3.5Å; F181-I185 HydrophobicContact CG-CD1 4.26Å; F181-I185 HydrophobicContact CZ-CD1 4.23Å; F181-I185 WeakPolarHBondContact O-CB 3.03Å; F181-I185 VanDerWaalsContact O-CG1 3.23Å; F181-I185 WeakPolarHBondContact O-CG1 3.21Å; F181-I185 PolarHBondContact O-N 3.22Å; Y182-I185 WeakPolarHBondContact O-CB 3.14Å; Y182-I185 PolarHBondContact O-N 3.13Å; S183-I185 VanDerWaalsContact C-N 3.33Å; I185-K187 PolarHBondContact O-N 3.3Å; I185-A188 CarbonylContact O-C 3.12Å; I185-A188 WeakPolarHBondContact O-CB 3.33Å; I185-A188 PolarHBondContact O-N 3.14Å; I185-A188 VanDerWaalsContact O-N 3.09Å; I185-C189 PolarHBondContact O-N 3.19Å; I185-C189 PolarHBondContact O-SG 2.97Å; I185-I225 HydrophobicContact CB-CD1 4.46Å; I185-I225 HydrophobicContact CG2-CD1 3.65Å; I185-I225 HydrophobicContact CG2-CG1 3.98Å; I185-I225 HydrophobicContact CG2-CG2 3.86Å
186	C	71.9	Confident	66.7	Low	21 Å²	21	73.5 Å²	73.5	14%	0.142	40%	0.403	C	S	.	.	H	α-helix	trans	-55.6	-38.6	176	-72.4	0	0	0	0	112.8	Y182 S183 C189 D190 R218	Y182-C186 WeakPolarHBondContact CE1-SG 2.99Å; Y182-C186 PolarHBondContact O-N 2.8Å; Y182-C186 PolarHBondContact O-SG 2.83Å; Y182-C186 VanDerWaalsContact O-SG 3.35Å; S183-C186 PolarHBondContact O-N 2.98Å; C186-C189 WeakPolarHBondContact O-CB 3.45Å; C186-C189 PolarHBondContact O-N 3.07Å; C186-D190 VanDerWaalsContact O-CG 3.29Å; C186-D190 PolarHBondContact O-N 2.95Å; C186-R218 PolarHBondContact O-NH1 3.44Å
187	K	72	Confident	67.6	Low	137 Å²	137	71.3 Å²	71.3	60%	0.596	38%	0.381	S	S	*	.	H	α-helix	trans	-75.6	-33.3	176.3	-76.3	-175.3	175	-178	0	113.8	S183 S184 I185 C189 D190 L191	S183-K187 PolarHBondContact O-N 3.15Å; S184-K187 PolarHBondContact O-N 2.9Å; I185-K187 PolarHBondContact O-N 3.3Å; K187-C189 VanDerWaalsContact C-N 3.26Å; K187-D190 PolarHBondContact O-N 3.11Å; K187-L191 WeakPolarHBondContact O-CG 3.27Å; K187-L191 PolarHBondContact O-N 3.37Å
188	A	66.2	Low	68.5	Low	40 Å²	40	70.4 Å²	70.4	33%	0.331	38%	0.377	S	S	.	.	H	α-helix	trans	-60.4	-42.9	167	0	0	0	0	0	109.3	S184 I185 L191 L192	S184-A188 WeakPolarHBondContact O-CB 3.47Å; S184-A188 PolarHBondContact O-N 3.49Å; I185-A188 CarbonylContact O-C 3.12Å; I185-A188 WeakPolarHBondContact O-CB 3.33Å; I185-A188 PolarHBondContact O-N 3.14Å; I185-A188 VanDerWaalsContact O-N 3.09Å; A188-L191 PolarHBondContact O-N 2.88Å; A188-L191 VanDerWaalsContact O-N 3.14Å; A188-L192 WeakPolarHBondContact O-CB 3.32Å; A188-L192 WeakPolarHBondContact O-CD1 3.36Å; A188-L192 WeakPolarHBondContact O-CG 3.38Å; A188-L192 PolarHBondContact O-N 3.23Å
189	C	75	Confident	69.2	Low	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-63.4	-41.1	174.8	-58.3	0	0	0	0	112.5	I185 C186 K187 L191 L192 E193 L214 L215	I185-C189 PolarHBondContact O-N 3.19Å; I185-C189 PolarHBondContact O-SG 2.97Å; C186-C189 WeakPolarHBondContact O-CB 3.45Å; C186-C189 PolarHBondContact O-N 3.07Å; K187-C189 VanDerWaalsContact C-N 3.26Å; C189-L191 VanDerWaalsContact C-N 3.29Å; C189-L191 PolarHBondContact O-N 2.97Å; C189-L192 PolarHBondContact O-N 3Å; C189-E193 WeakPolarHBondContact O-CB 3.17Å; C189-E193 WeakPolarHBondContact O-CG 3.41Å; C189-E193 PolarHBondContact O-N 2.89Å; C189-L214 PolarHBondContact SG-O 3.33Å; C189-L215 HydrophobicContact CB-CD2 3.76Å
190	D	74.4	Confident	69.7	Low	68 Å²	68	63.6 Å²	63.6	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-58.7	-40.9	172.1	-65	-42.1	0	0	0	111.4	C186 K187 N194 R218	C186-D190 VanDerWaalsContact O-CG 3.29Å; C186-D190 PolarHBondContact O-N 2.95Å; K187-D190 PolarHBondContact O-N 3.11Å; D190-N194 PolarHBondContact O-N 2.78Å; D190-N194 PolarHBondContact O-ND2 2.74Å; D190-R218 IonicContact OD1-CZ 3.64Å; D190-R218 IonicContact OD1-NH1 3.68Å; D190-R218 PolarHBondContact OD1-NH1 2.69Å; D190-R218 IonicContact OD1-NH2 2.7Å; D190-R218 PolarHBondContact OD1-NH2 2.65Å; D190-R218 IonicContact OD2-NH1 3.64Å
191	L	77.8	Confident	70.5	Confident	121 Å²	121	68.5 Å²	68.5	63%	0.634	36%	0.359	S	S	*	.	H	α-helix	trans	-71.5	-42.3	178.3	-69.1	167.5	0	0	0	112.1	K187 A188 C189 N194 L195	K187-L191 WeakPolarHBondContact O-CG 3.27Å; K187-L191 PolarHBondContact O-N 3.37Å; A188-L191 PolarHBondContact O-N 2.88Å; A188-L191 VanDerWaalsContact O-N 3.14Å; C189-L191 VanDerWaalsContact C-N 3.29Å; C189-L191 PolarHBondContact O-N 2.97Å; L191-N194 CarbonylContact O-C 3.57Å; L191-N194 PolarHBondContact O-N 3.06Å; L191-N194 VanDerWaalsContact O-N 3.13Å; L191-L195 WeakPolarHBondContact O-CG 3.31Å; L191-L195 PolarHBondContact O-N 3.2Å; L191-L195 VanDerWaalsContact O-N 3.12Å
192	L	68.3	Low	71.2	Confident	12 Å²	12	70.3 Å²	70.3	6%	0.063	36%	0.364	C	S	.	.	H	α-helix	trans	-64.3	-38.5	175.9	-70.6	161.7	0	0	0	111.8	A188 C189 N194 L195 L200 I211 L214 L215 R228 D275	A188-L192 WeakPolarHBondContact O-CB 3.32Å; A188-L192 WeakPolarHBondContact O-CD1 3.36Å; A188-L192 WeakPolarHBondContact O-CG 3.38Å; A188-L192 PolarHBondContact O-N 3.23Å; C189-L192 PolarHBondContact O-N 3Å; L192-N194 PolarHBondContact O-N 2.68Å; L192-L195 HydrophobicContact CD2-CD1 4.47Å; L192-L195 PolarHBondContact O-N 2.91Å; L192-L200 HydrophobicContact CD2-CD2 3.84Å; L192-I211 HydrophobicContact CD1-CD1 3.86Å; L192-I211 HydrophobicContact CD1-CG2 4.06Å; L192-I211 HydrophobicContact CD2-CD1 3.85Å; L192-I211 HydrophobicContact CD2-CG2 4.25Å; L192-L214 HydrophobicContact CD1-CD2 3.98Å; L192-L215 HydrophobicContact CB-CD1 4.14Å; L192-L215 HydrophobicContact CB-CD2 3.62Å; L192-L215 HydrophobicContact CD1-CD2 4.19Å; L192-R228 PolarHBondContact O-NH1 2.88Å; L192-D275 WeakPolarHBondContact CD2-OD2 3.46Å
193	E	76.1	Confident	71.3	Confident	67 Å²	67	70.6 Å²	70.6	31%	0.313	37%	0.374	S	S	.	.	H	α-helix	trans	-60.4	-33	172.2	-83.7	172.1	-152.3	0	0	112.2	C189 L215 R218 R228	C189-E193 WeakPolarHBondContact O-CB 3.17Å; C189-E193 WeakPolarHBondContact O-CG 3.41Å; C189-E193 PolarHBondContact O-N 2.89Å; E193-L215 HydrophobicContact CG-CB 3.94Å; E193-L215 HydrophobicContact CG-CD1 4.11Å; E193-L215 HydrophobicContact CG-CD2 4.21Å; E193-L215 HydrophobicContact CG-CG 4.29Å; E193-R218 IonicContact OE1-CZ 3.61Å; E193-R218 IonicContact OE1-NE 2.87Å; E193-R218 PolarHBondContact OE1-NE 2.71Å; E193-R218 IonicContact OE1-NH2 2.83Å; E193-R218 PolarHBondContact OE1-NH2 3.28Å; E193-R218 IonicContact OE2-CZ 3.96Å; E193-R218 IonicContact OE2-NH2 3.59Å; E193-R218 PolarHBondContact OE2-NH2 2.88Å; E193-R228 PolarHBondContact O-NH2 3.45Å
194	N	76	Confident	72	Confident	136 Å²	136	72 Å²	72	73%	0.727	37%	0.372	S	S	*	.	H	α-helix	trans	-91.2	-5.7	-179.3	-76.3	-81.1	0	0	0	114.9	D190 L191 L192	D190-N194 PolarHBondContact O-N 2.78Å; D190-N194 PolarHBondContact O-ND2 2.74Å; L191-N194 CarbonylContact O-C 3.57Å; L191-N194 PolarHBondContact O-N 3.06Å; L191-N194 VanDerWaalsContact O-N 3.13Å; L192-N194 PolarHBondContact O-N 2.68Å
195	L	73.9	Confident	72.5	Confident	54 Å²	54	70 Å²	70	28%	0.283	36%	0.362	S	S	.	.	S	Bend	trans	-82.1	134	175.1	-80	165	0	0	0	111.5	L191 L192 K199 L200	L191-L195 WeakPolarHBondContact O-CG 3.31Å; L191-L195 PolarHBondContact O-N 3.2Å; L191-L195 VanDerWaalsContact O-N 3.12Å; L192-L195 HydrophobicContact CD2-CD1 4.47Å; L192-L195 PolarHBondContact O-N 2.91Å; L195-K199 HydrophobicContact CD2-CD 4.01Å; L195-K199 HydrophobicContact CD2-CG 4.22Å; L195-L200 HydrophobicContact CB-CD1 4.34Å; L195-L200 HydrophobicContact CB-CD2 3.8Å; L195-L200 HydrophobicContact CB-CG 4.05Å; L195-L200 HydrophobicContact CD1-CD2 3.99Å
196	P	77.3	Confident	72.8	Confident	74 Å²	74	74.9 Å²	74.9	48%	0.481	39%	0.388	S	S	.	.			trans	-70.4	148.1	177.2	26.4	-30.1	0	0	0	111.2	N198 K199	P196-N198 PolarHBondContact O-N 2.83Å; P196-K199 HydrophobicContact CG-CB 3.78Å; P196-K199 HydrophobicContact CG-CD 4.38Å; P196-K199 CarbonylContact O-C 3.58Å; P196-K199 VanDerWaalsContact O-C 3.29Å; P196-K199 WeakPolarHBondContact O-CA 3.42Å; P196-K199 WeakPolarHBondContact O-CB 3.34Å; P196-K199 PolarHBondContact O-N 2.94Å
197	M	70.3	Confident	72.7	Confident	68 Å²	68	75.2 Å²	75.2	34%	0.335	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-63.2	-32.9	-165.2	-169.2	61.8	-126.1	0	0	115.1	K199 L200 M201 L208	M197-K199 PolarHBondContact O-N 2.8Å; M197-L200 HydrophobicContact CE-CB 3.72Å; M197-L200 WeakPolarHBondContact CE-O 3.36Å; M197-L200 PolarHBondContact O-N 3.46Å; M197-L200 HydrophobicContact SD-CB 4.32Å; M197-L200 HydrophobicContact SD-CD1 4.17Å; M197-M201 HydrophobicContact CE-CG 4.42Å; M197-L208 HydrophobicContact CE-CD1 3.95Å; M197-L208 HydrophobicContact CE-CD2 3.35Å; M197-L208 HydrophobicContact CE-CG 4.25Å
198	N	73.4	Confident	72.7	Confident	95 Å²	95	70.1 Å²	70.1	51%	0.508	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-63.3	-30.6	171.3	61.6	-19.7	0	0	0	111.7	P196 L200 S274	P196-N198 PolarHBondContact O-N 2.83Å; N198-L200 PolarHBondContact O-N 3.21Å; N198-S274 VanDerWaalsContact O-CB 3.28Å; N198-S274 WeakPolarHBondContact O-CB 3.48Å; N198-S274 PolarHBondContact O-OG 3.01Å
199	K	71.1	Confident	73.1	Confident	72 Å²	72	71.8 Å²	71.8	31%	0.313	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-81.6	23.4	172.2	-145.9	168.7	176.4	151.8	0	113	L195 P196 M197 I272 L273 S274	L195-K199 HydrophobicContact CD2-CD 4.01Å; L195-K199 HydrophobicContact CD2-CG 4.22Å; P196-K199 HydrophobicContact CG-CB 3.78Å; P196-K199 HydrophobicContact CG-CD 4.38Å; P196-K199 CarbonylContact O-C 3.58Å; P196-K199 VanDerWaalsContact O-C 3.29Å; P196-K199 WeakPolarHBondContact O-CA 3.42Å; P196-K199 WeakPolarHBondContact O-CB 3.34Å; P196-K199 PolarHBondContact O-N 2.94Å; M197-K199 PolarHBondContact O-N 2.8Å; K199-I272 WeakPolarHBondContact CE-O 3.26Å; K199-I272 PolarHBondContact NZ-O 3.16Å; K199-L273 VanDerWaalsContact CE-O 3.25Å; K199-L273 WeakPolarHBondContact CE-O 3.42Å; K199-L273 WeakPolarHBondContact CG-O 3.34Å; K199-S274 VanDerWaalsContact C-CB 3.43Å; K199-S274 WeakPolarHBondContact CA-OG 3.4Å
200	L	68.4	Low	72.8	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.379	C	S	.	.	S	Bend	trans	-137.4	50.2	171.9	-63.5	172.2	0	0	0	113.1	L192 L195 M197 N198 L208 D275	L192-L200 HydrophobicContact CD2-CD2 3.84Å; L195-L200 HydrophobicContact CB-CD1 4.34Å; L195-L200 HydrophobicContact CB-CD2 3.8Å; L195-L200 HydrophobicContact CB-CG 4.05Å; L195-L200 HydrophobicContact CD1-CD2 3.99Å; M197-L200 HydrophobicContact CE-CB 3.72Å; M197-L200 WeakPolarHBondContact CE-O 3.36Å; M197-L200 PolarHBondContact O-N 3.46Å; M197-L200 HydrophobicContact SD-CB 4.32Å; M197-L200 HydrophobicContact SD-CD1 4.17Å; N198-L200 PolarHBondContact O-N 3.21Å; L200-L208 HydrophobicContact CB-CD1 4.28Å; L200-D275 HydrophobicContact CD2-CB 4.34Å; L200-D275 WeakPolarHBondContact CD2-OD2 3.3Å
201	M	69.8	Low	72.7	Confident	140 Å²	140	69.6 Å²	69.6	69%	0.69	36%	0.364	S	S	*	.	S	Bend	trans	-153.2	54.8	174.6	-63.5	-167.6	68.9	0	0	116.3	M197 D275	M197-M201 HydrophobicContact CE-CG 4.42Å; M201-D275 CarbonylContact C-O 3.25Å; M201-D275 VanDerWaalsContact C-O 3.25Å; M201-D275 WeakPolarHBondContact CA-O 3.46Å; M201-D275 PolarHBondContact N-O 2.75Å
202	Y	73.5	Confident	72.4	Confident	151 Å²	151	65.4 Å²	65.4	59%	0.592	34%	0.344	S	S	*	.	S	Bend	trans	-159.8	-29.2	177.6	-175	-84.5	0	0	0	130.3	L273 S274 D275 D276	Y202-L273 HydrophobicContact CD1-CD2 4.45Å; Y202-L273 HydrophobicContact CD2-CD1 4.48Å; Y202-L273 HydrophobicContact CD2-CD2 4.06Å; Y202-L273 HydrophobicContact CE2-CD1 4.39Å; Y202-L273 HydrophobicContact CG-CD2 3.9Å; Y202-S274 CarbonylContact C-O 3.27Å; Y202-S274 VanDerWaalsContact CA-C 3.43Å; Y202-S274 WeakPolarHBondContact CA-O 3.47Å; Y202-S274 VanDerWaalsContact CB-C 3.41Å; Y202-S274 WeakPolarHBondContact CB-O 3.4Å; Y202-S274 PolarHBondContact N-O 3.01Å; Y202-D275 VanDerWaalsContact CA-C 3.45Å; Y202-D275 PolarHBondContact N-O 3.27Å; Y202-D276 CarbonylContact C-O 3.03Å
203	C	70.3	Confident	72.6	Confident	66 Å²	66	70.6 Å²	70.6	45%	0.446	37%	0.366	S	S	.	.	S	Bend	cis	91	-89.2	1.6	-45.7	0	0	0	0	127.2	S274 D275 D276 D277	C203-S274 WeakPolarHBondContact CA-O 3.19Å; C203-S274 WeakPolarHBondContact CB-O 3.46Å; C203-S274 PolarHBondContact N-O 2.78Å; C203-S274 PolarHBondContact SG-O 3.49Å; C203-D275 HydrophobicContact CB-CB 4.24Å; C203-D276 VanDerWaalsContact C-CA 3.45Å; C203-D276 CarbonylContact C-O 3.21Å; C203-D276 VanDerWaalsContact CA-O 3.27Å; C203-D276 WeakPolarHBondContact CA-O 3.31Å; C203-D276 PolarHBondContact N-O 2.8Å; C203-D276 CarbonylContact O-C 2.72Å; C203-D277 PolarHBondContact O-N 2.99Å
204	F	73.9	Confident	72.1	Confident	88 Å²	88	69.1 Å²	69.1	39%	0.386	36%	0.36	S	S	.	.	S	Bend	trans	-133.5	114.4	153.9	-13.2	-92.5	0	0	0	116.4	I211 D275 D276 D277	F204-I211 HydrophobicContact CB-CD1 3.68Å; F204-I211 HydrophobicContact CD2-CD1 3.9Å; F204-I211 HydrophobicContact CG-CD1 4.07Å; F204-D275 CarbonylContact C-O 3.39Å; F204-D275 HydrophobicContact CD2-CB 4.01Å; F204-D275 WeakPolarHBondContact CD2-OD2 3.44Å; F204-D275 CarbonylContact O-C 3.49Å; F204-D275 VanDerWaalsContact O-C 3.27Å; F204-D275 WeakPolarHBondContact O-CB 3.38Å; F204-D276 VanDerWaalsContact CA-CA 3.43Å; F204-D277 VanDerWaalsContact CA-CB 3.47Å; F204-D277 HydrophobicContact CB-CB 3.61Å; F204-D277 HydrophobicContact CD1-CB 4.01Å; F204-D277 HydrophobicContact CG-CB 4.31Å
205	G	76.3	Confident	72	Confident	15 Å²	15	63.2 Å²	63.2	16%	0.155	33%	0.328	C	S	.	.			trans	-174.9	-44.4	-138.9	0	0	0	0	0	126	E207 L208 D275	G205-E207 PolarHBondContact O-N 3.08Å; G205-L208 WeakPolarHBondContact O-CA 3.36Å; G205-L208 WeakPolarHBondContact O-CB 3.4Å; G205-L208 PolarHBondContact O-N 2.7Å; G205-D275 VanDerWaalsContact CA-C 3.49Å; G205-D275 WeakPolarHBondContact CA-O 3.43Å
206	D	72.6	Confident	71.9	Confident	148 Å²	148	65.3 Å²	65.3	79%	0.791	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-35.2	148.9	-95.8	-0.2	0	0	0	106.3	L208 D276	D206-L208 PolarHBondContact O-N 3.09Å; D206-D276 WeakPolarHBondContact CB-OD1 3.35Å; D206-D276 PolarHBondContact N-OD1 2.85Å
207	E	70.4	Confident	71.3	Confident	28 Å²	28	66.4 Å²	66.4	13%	0.131	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	7.9	156.8	-109.3	-152.5	-148.6	0	0	117.3	G205 S209 V210 I211 D277 S278 W279	G205-E207 PolarHBondContact O-N 3.08Å; E207-S209 PolarHBondContact O-N 2.95Å; E207-V210 HydrophobicContact CB-CB 4.2Å; E207-V210 HydrophobicContact CG-CB 3.67Å; E207-V210 HydrophobicContact CG-CG1 4.27Å; E207-V210 HydrophobicContact CG-CG2 3.75Å; E207-V210 CarbonylContact O-C 3.07Å; E207-V210 VanDerWaalsContact O-CA 3.26Å; E207-V210 WeakPolarHBondContact O-CA 3.27Å; E207-V210 VanDerWaalsContact O-CB 3.31Å; E207-V210 WeakPolarHBondContact O-CB 3.43Å; E207-V210 PolarHBondContact O-N 3.22Å; E207-V210 WeakPolarHBondContact OE2-CB 3.42Å; E207-V210 WeakPolarHBondContact OE2-CG1 3.39Å; E207-I211 PolarHBondContact O-N 3.34Å; E207-D277 WeakPolarHBondContact CB-O 3.49Å; E207-D277 PolarHBondContact N-O 3.17Å; E207-D277 VanDerWaalsContact N-O 3.13Å; E207-S278 VanDerWaalsContact OE1-O 3.05Å; E207-W279 HydrophobicContact CG-CB 4.4Å; E207-W279 WeakPolarHBondContact OE1-CA 3.06Å; E207-W279 PolarHBondContact OE1-N 3.33Å; E207-W279 VanDerWaalsContact OE1-N 3.14Å
208	L	71.8	Confident	70.9	Confident	29 Å²	29	65.1 Å²	65.1	15%	0.152	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-24.1	177.7	-177	69.7	0	0	0	110.5	M197 L200 G205 D206 V210 I211 T212	M197-L208 HydrophobicContact CE-CD1 3.95Å; M197-L208 HydrophobicContact CE-CD2 3.35Å; M197-L208 HydrophobicContact CE-CG 4.25Å; L200-L208 HydrophobicContact CB-CD1 4.28Å; G205-L208 WeakPolarHBondContact O-CA 3.36Å; G205-L208 WeakPolarHBondContact O-CB 3.4Å; G205-L208 PolarHBondContact O-N 2.7Å; D206-L208 PolarHBondContact O-N 3.09Å; L208-V210 VanDerWaalsContact C-N 3.28Å; L208-I211 PolarHBondContact O-N 2.73Å; L208-T212 WeakPolarHBondContact O-CA 3.37Å; L208-T212 WeakPolarHBondContact O-CB 3.48Å; L208-T212 PolarHBondContact O-N 2.81Å; L208-T212 PolarHBondContact O-OG1 3.03Å
209	S	73.8	Confident	70.5	Confident	76 Å²	76	64.1 Å²	64.1	53%	0.531	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-32.5	167.6	62.9	0	0	0	0	113.3	E207 T212 K213	E207-S209 PolarHBondContact O-N 2.95Å; S209-T212 CarbonylContact O-C 3.6Å; S209-T212 VanDerWaalsContact O-C 3.24Å; S209-T212 WeakPolarHBondContact O-CB 3.43Å; S209-K213 PolarHBondContact O-N 3.49Å; S209-K213 VanDerWaalsContact O-N 3.11Å
210	V	69.9	Low	70	Confident	12 Å²	12	64.6 Å²	64.6	7%	0.073	34%	0.339	C	S	.	.	H	α-helix	trans	-84.8	-31.8	174.2	172.7	0	0	0	0	112.2	E207 L208 T212 K213 L214 W279	E207-V210 HydrophobicContact CB-CB 4.2Å; E207-V210 HydrophobicContact CG-CB 3.67Å; E207-V210 HydrophobicContact CG-CG1 4.27Å; E207-V210 HydrophobicContact CG-CG2 3.75Å; E207-V210 CarbonylContact O-C 3.07Å; E207-V210 VanDerWaalsContact O-CA 3.26Å; E207-V210 WeakPolarHBondContact O-CA 3.27Å; E207-V210 VanDerWaalsContact O-CB 3.31Å; E207-V210 WeakPolarHBondContact O-CB 3.43Å; E207-V210 PolarHBondContact O-N 3.22Å; E207-V210 WeakPolarHBondContact OE2-CB 3.42Å; E207-V210 WeakPolarHBondContact OE2-CG1 3.39Å; L208-V210 VanDerWaalsContact C-N 3.28Å; V210-T212 VanDerWaalsContact C-N 3.27Å; V210-K213 CarbonylContact O-C 3.45Å; V210-K213 WeakPolarHBondContact O-CA 3.44Å; V210-K213 WeakPolarHBondContact O-CB 3.14Å; V210-K213 PolarHBondContact O-N 2.9Å; V210-L214 HydrophobicContact CG1-CD1 4.09Å; V210-L214 WeakPolarHBondContact O-CD1 3.29Å; V210-L214 PolarHBondContact O-N 3.23Å; V210-W279 HydrophobicContact CG1-CG 4.46Å; V210-W279 HydrophobicContact CG1-CZ2 4.38Å; V210-W279 HydrophobicContact CG2-CB 4.29Å; V210-W279 HydrophobicContact CG2-CD2 3.73Å; V210-W279 HydrophobicContact CG2-CE3 4.43Å; V210-W279 HydrophobicContact CG2-CG 3.72Å; V210-W279 HydrophobicContact CG2-CZ2 4.29Å
211	I	71.8	Confident	69.1	Low	9 Å²	9	68.2 Å²	68.2	5%	0.046	36%	0.359	C	S	.	.	H	α-helix	trans	-74.3	-24	165.4	-67	-165.6	0	0	0	111.8	L192 F204 E207 L208 K213 L214 L215	L192-I211 HydrophobicContact CD1-CD1 3.86Å; L192-I211 HydrophobicContact CD1-CG2 4.06Å; L192-I211 HydrophobicContact CD2-CD1 3.85Å; L192-I211 HydrophobicContact CD2-CG2 4.25Å; F204-I211 HydrophobicContact CB-CD1 3.68Å; F204-I211 HydrophobicContact CD2-CD1 3.9Å; F204-I211 HydrophobicContact CG-CD1 4.07Å; E207-I211 PolarHBondContact O-N 3.34Å; L208-I211 PolarHBondContact O-N 2.73Å; I211-K213 PolarHBondContact O-N 3.12Å; I211-L214 VanDerWaalsContact C-N 3.3Å; I211-L214 HydrophobicContact CB-CB 4.49Å; I211-L214 HydrophobicContact CG1-CD1 4.28Å; I211-L214 HydrophobicContact CG1-CD2 4.24Å; I211-L214 HydrophobicContact CG2-CB 4.32Å; I211-L214 WeakPolarHBondContact O-CA 3.37Å; I211-L214 PolarHBondContact O-N 3.05Å; I211-L215 HydrophobicContact CG2-CD1 4.29Å; I211-L215 HydrophobicContact CG2-CD2 4.44Å; I211-L215 HydrophobicContact CG2-CG 4.29Å; I211-L215 PolarHBondContact O-N 2.95Å
212	T	71	Confident	68.1	Low	33 Å²	33	67.2 Å²	67.2	20%	0.202	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	1.1	158.5	-65.2	0	0	0	0	112.4	L208 S209 V210 S226 G227 R228	L208-T212 WeakPolarHBondContact O-CA 3.37Å; L208-T212 WeakPolarHBondContact O-CB 3.48Å; L208-T212 PolarHBondContact O-N 2.81Å; L208-T212 PolarHBondContact O-OG1 3.03Å; S209-T212 CarbonylContact O-C 3.6Å; S209-T212 VanDerWaalsContact O-C 3.24Å; S209-T212 WeakPolarHBondContact O-CB 3.43Å; V210-T212 VanDerWaalsContact C-N 3.27Å; T212-S226 CarbonylContact O-C 3.58Å; T212-G227 WeakPolarHBondContact O-CA 3.32Å; T212-G227 PolarHBondContact O-N 2.96Å; T212-R228 WeakPolarHBondContact CG2-O 3.31Å; T212-R228 PolarHBondContact OG1-N 2.73Å
213	K	72.4	Confident	67.1	Low	122 Å²	122	65 Å²	65	53%	0.53	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	31.8	154.3	-62.6	175.8	-177.9	175.3	0	113.1	S209 V210 I211 S226	S209-K213 PolarHBondContact O-N 3.49Å; S209-K213 VanDerWaalsContact O-N 3.11Å; V210-K213 CarbonylContact O-C 3.45Å; V210-K213 WeakPolarHBondContact O-CA 3.44Å; V210-K213 WeakPolarHBondContact O-CB 3.14Å; V210-K213 PolarHBondContact O-N 2.9Å; I211-K213 PolarHBondContact O-N 3.12Å; K213-S226 VanDerWaalsContact C-OG 3.29Å; K213-S226 VanDerWaalsContact CA-CB 3.47Å; K213-S226 VanDerWaalsContact CA-OG 3.24Å; K213-S226 WeakPolarHBondContact CA-OG 3.03Å; K213-S226 WeakPolarHBondContact CB-OG 3.13Å; K213-S226 PolarHBondContact O-OG 3.48Å; K213-S226 VanDerWaalsContact O-OG 3.04Å
214	L	66.1	Low	66.2	Low	36 Å²	36	65.5 Å²	65.5	19%	0.188	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-20.5	158.9	-89.7	71.7	0	0	0	119.6	C189 L192 V210 I211 I225 S226	C189-L214 PolarHBondContact SG-O 3.33Å; L192-L214 HydrophobicContact CD1-CD2 3.98Å; V210-L214 HydrophobicContact CG1-CD1 4.09Å; V210-L214 WeakPolarHBondContact O-CD1 3.29Å; V210-L214 PolarHBondContact O-N 3.23Å; I211-L214 VanDerWaalsContact C-N 3.3Å; I211-L214 HydrophobicContact CB-CB 4.49Å; I211-L214 HydrophobicContact CG1-CD1 4.28Å; I211-L214 HydrophobicContact CG1-CD2 4.24Å; I211-L214 HydrophobicContact CG2-CB 4.32Å; I211-L214 WeakPolarHBondContact O-CA 3.37Å; I211-L214 PolarHBondContact O-N 3.05Å; L214-I225 HydrophobicContact CB-CG2 3.92Å; L214-I225 HydrophobicContact CD1-CG2 4.48Å; L214-I225 HydrophobicContact CG-CG2 3.66Å; L214-I225 CarbonylContact O-C 3.58Å; L214-I225 WeakPolarHBondContact O-CA 3.19Å; L214-I225 WeakPolarHBondContact O-CG2 3.32Å; L214-S226 VanDerWaalsContact C-CA 3.41Å; L214-S226 VanDerWaalsContact N-CA 3.35Å; L214-S226 PolarHBondContact O-N 2.85Å
215	L	73.2	Confident	64.5	Low	11 Å²	11	62.5 Å²	62.5	6%	0.058	35%	0.345	C	S	.	.	S	Bend	trans	-114.4	4.9	-165.6	-39.5	177.6	0	0	0	121.1	C189 L192 E193 I211 S226 R228	C189-L215 HydrophobicContact CB-CD2 3.76Å; L192-L215 HydrophobicContact CB-CD1 4.14Å; L192-L215 HydrophobicContact CB-CD2 3.62Å; L192-L215 HydrophobicContact CD1-CD2 4.19Å; E193-L215 HydrophobicContact CG-CB 3.94Å; E193-L215 HydrophobicContact CG-CD1 4.11Å; E193-L215 HydrophobicContact CG-CD2 4.21Å; E193-L215 HydrophobicContact CG-CG 4.29Å; I211-L215 HydrophobicContact CG2-CD1 4.29Å; I211-L215 HydrophobicContact CG2-CD2 4.44Å; I211-L215 HydrophobicContact CG2-CG 4.29Å; I211-L215 PolarHBondContact O-N 2.95Å; L215-S226 VanDerWaalsContact N-N 3.15Å; L215-R228 HydrophobicContact CD1-CG 4.39Å
216	H	71.8	Confident	62.9	Low	99 Å²	99	62.3 Å²	62.3	46%	0.458	34%	0.342	S	S	.	.	S	Bend	trans	-157.7	-14.5	-168.9	139.8	81.7	0	0	0	118	R218 S219 S220 S226 G227	H216-R218 PolarHBondContact O-N 3.11Å; H216-S219 VanDerWaalsContact C-N 3.27Å; H216-S219 PolarHBondContact ND1-OG 2.78Å; H216-S219 CarbonylContact O-C 3.54Å; H216-S219 VanDerWaalsContact O-CA 3.31Å; H216-S219 WeakPolarHBondContact O-CA 3.22Å; H216-S219 WeakPolarHBondContact O-CB 3.42Å; H216-S219 PolarHBondContact O-N 3.38Å; H216-S219 PolarHBondContact O-OG 3.13Å; H216-S220 PolarHBondContact O-N 3.11Å; H216-S220 PolarHBondContact O-OG 3.16Å; H216-S226 CarbonylContact C-O 3.52Å; H216-S226 WeakPolarHBondContact CA-O 3.14Å; H216-S226 WeakPolarHBondContact CB-O 3.28Å; H216-S226 PolarHBondContact CD2-O 3.29Å; H216-S226 VanDerWaalsContact CG-O 3.29Å; H216-S226 VanDerWaalsContact N-CA 3.32Å; H216-S226 PolarHBondContact N-O 2.85Å; H216-G227 WeakPolarHBondContact CB-O 3.36Å; H216-G227 PolarHBondContact CD2-O 2.74Å
217	E	64.7	Low	61.1	Low	97 Å²	97	55.7 Å²	55.7	45%	0.453	31%	0.308	S	S	.	.	H	α-helix	trans	-57.1	-26.3	142.9	-83.1	175.3	-173.2	0	0	107.1	S219 S220 N221 I224 S226	E217-S219 PolarHBondContact O-N 3.48Å; E217-S220 PolarHBondContact O-N 2.85Å; E217-N221 PolarHBondContact O-N 2.74Å; E217-I224 CarbonylContact C-O 3.22Å; E217-I224 WeakPolarHBondContact CA-O 3.18Å; E217-I224 WeakPolarHBondContact CB-O 3.45Å; E217-I224 WeakPolarHBondContact OE2-CG2 3.02Å; E217-S226 VanDerWaalsContact CG-CB 3.49Å; E217-S226 VanDerWaalsContact N-CA 3.26Å; E217-S226 VanDerWaalsContact N-CB 3.3Å; E217-S226 PolarHBondContact N-O 3.43Å; E217-S226 PolarHBondContact OE2-OG 2.72Å
218	R	62.5	Low	59.4	Low	41 Å²	41	58.9 Å²	58.9	16%	0.155	32%	0.319	C	S	.	.	H	α-helix	trans	-61.2	-0.8	160.2	-138.2	177.7	86.6	110.9	5.8	115.9	C186 D190 E193 H216 N221 I224 I225	C186-R218 PolarHBondContact O-NH1 3.44Å; D190-R218 IonicContact OD1-CZ 3.64Å; D190-R218 IonicContact OD1-NH1 3.68Å; D190-R218 PolarHBondContact OD1-NH1 2.69Å; D190-R218 IonicContact OD1-NH2 2.7Å; D190-R218 PolarHBondContact OD1-NH2 2.65Å; D190-R218 IonicContact OD2-NH1 3.64Å; E193-R218 IonicContact OE1-CZ 3.61Å; E193-R218 IonicContact OE1-NE 2.87Å; E193-R218 PolarHBondContact OE1-NE 2.71Å; E193-R218 IonicContact OE1-NH2 2.83Å; E193-R218 PolarHBondContact OE1-NH2 3.28Å; E193-R218 IonicContact OE2-CZ 3.96Å; E193-R218 IonicContact OE2-NH2 3.59Å; E193-R218 PolarHBondContact OE2-NH2 2.88Å; H216-R218 PolarHBondContact O-N 3.11Å; R218-N221 CarbonylContact C-O 3.51Å; R218-N221 WeakPolarHBondContact CA-O 3.45Å; R218-I224 VanDerWaalsContact N-C 3.33Å; R218-I224 PolarHBondContact N-O 3.06Å; R218-I224 VanDerWaalsContact N-O 3.14Å; R218-I225 VanDerWaalsContact CA-N 3.27Å; R218-I225 VanDerWaalsContact CB-N 3.29Å; R218-I225 HydrophobicContact CG-CG1 4.3Å; R218-I225 VanDerWaalsContact N-N 3.11Å
219	S	65.2	Low	57.6	Low	74 Å²	74	61.8 Å²	61.8	52%	0.517	34%	0.34	S	S	.	.	H	α-helix	trans	-124	-31	169	74.4	0	0	0	0	111.8	H216 E217 N221	H216-S219 VanDerWaalsContact C-N 3.27Å; H216-S219 PolarHBondContact ND1-OG 2.78Å; H216-S219 CarbonylContact O-C 3.54Å; H216-S219 VanDerWaalsContact O-CA 3.31Å; H216-S219 WeakPolarHBondContact O-CA 3.22Å; H216-S219 WeakPolarHBondContact O-CB 3.42Å; H216-S219 PolarHBondContact O-N 3.38Å; H216-S219 PolarHBondContact O-OG 3.13Å; E217-S219 PolarHBondContact O-N 3.48Å; S219-N221 CarbonylContact C-O 3.57Å; S219-N221 WeakPolarHBondContact CA-O 3.38Å; S219-N221 PolarHBondContact N-O 3.2Å; S219-N221 PolarHBondContact O-N 3.45Å
220	S	61.3	Low	55.9	Low	82 Å²	82	63 Å²	63	57%	0.573	35%	0.345	S	S	*	.	H	α-helix	trans	-63.4	-31.5	170	-53.1	0	0	0	0	112	H216 E217	H216-S220 PolarHBondContact O-N 3.11Å; H216-S220 PolarHBondContact O-OG 3.16Å; E217-S220 PolarHBondContact O-N 2.85Å
221	N	49.5	Very low	54.2	Low	75 Å²	75	68.1 Å²	68.1	40%	0.401	38%	0.382	S	S	.	.	S	Bend	trans	-128.8	156.5	147.7	-58.3	-95.5	0	0	0	106.1	E217 R218 S219 I223 I224	E217-N221 PolarHBondContact O-N 2.74Å; R218-N221 CarbonylContact C-O 3.51Å; R218-N221 WeakPolarHBondContact CA-O 3.45Å; S219-N221 CarbonylContact C-O 3.57Å; S219-N221 WeakPolarHBondContact CA-O 3.38Å; S219-N221 PolarHBondContact N-O 3.2Å; S219-N221 PolarHBondContact O-N 3.45Å; N221-I223 CarbonylContact C-O 3.53Å; N221-I223 VanDerWaalsContact C-O 3.24Å; N221-I223 HydrophobicContact CB-CB 3.93Å; N221-I223 HydrophobicContact CB-CG1 4.4Å; N221-I223 WeakPolarHBondContact CB-O 3.25Å; N221-I223 PolarHBondContact O-N 3.21Å; N221-I224 HydrophobicContact CB-CG1 4.5Å
222	P	48.7	Very low	52.4	Low	119 Å²	119	71.5 Å²	71.5	77%	0.773	42%	0.419	S	S	*	.	S	Bend	trans	-76.5	3.2	160.1	-26.7	38.8	0	0	0	113.7
223	I	52.7	Low	50.4	Low	105 Å²	105	76.1 Å²	76.1	54%	0.538	45%	0.447	S	S	.	.	S	Bend	trans	-87.6	164.3	156.8	-43.9	175	0	0	0	106.6	Y182 N221	Y182-I223 VanDerWaalsContact OH-CA 3.26Å; Y182-I223 WeakPolarHBondContact OH-CA 3.19Å; Y182-I223 WeakPolarHBondContact OH-CG2 3.38Å; N221-I223 CarbonylContact C-O 3.53Å; N221-I223 VanDerWaalsContact C-O 3.24Å; N221-I223 HydrophobicContact CB-CB 3.93Å; N221-I223 HydrophobicContact CB-CG1 4.4Å; N221-I223 WeakPolarHBondContact CB-O 3.25Å; N221-I223 PolarHBondContact O-N 3.21Å
224	I	51	Low	48.3	Very low	77 Å²	77	76.9 Å²	76.9	40%	0.395	46%	0.457	S	S	.	.	S	Bend	trans	66.3	39.7	161	-18	174.5	0	0	0	120	Y182 E217 R218 N221 S226	Y182-I224 PolarHBondContact OH-N 2.89Å; E217-I224 CarbonylContact C-O 3.22Å; E217-I224 WeakPolarHBondContact CA-O 3.18Å; E217-I224 WeakPolarHBondContact CB-O 3.45Å; E217-I224 WeakPolarHBondContact OE2-CG2 3.02Å; R218-I224 VanDerWaalsContact N-C 3.33Å; R218-I224 PolarHBondContact N-O 3.06Å; R218-I224 VanDerWaalsContact N-O 3.14Å; N221-I224 HydrophobicContact CB-CG1 4.5Å; I224-S226 PolarHBondContact O-N 2.76Å
225	I	38.8	Very low	46.5	Very low	24 Å²	24	83.5 Å²	83.5	12%	0.123	48%	0.484	C	S	.	.			trans	42.1	85.9	132.2	-60.5	143.4	0	0	0	119.9	Y182 I185 L214 R218	Y182-I225 HydrophobicContact CD2-CD1 3.9Å; Y182-I225 HydrophobicContact CE2-CD1 3.5Å; Y182-I225 VanDerWaalsContact CE2-CD1 3.5Å; I185-I225 HydrophobicContact CB-CD1 4.46Å; I185-I225 HydrophobicContact CG2-CD1 3.65Å; I185-I225 HydrophobicContact CG2-CG1 3.98Å; I185-I225 HydrophobicContact CG2-CG2 3.86Å; L214-I225 HydrophobicContact CB-CG2 3.92Å; L214-I225 HydrophobicContact CD1-CG2 4.48Å; L214-I225 HydrophobicContact CG-CG2 3.66Å; L214-I225 CarbonylContact O-C 3.58Å; L214-I225 WeakPolarHBondContact O-CA 3.19Å; L214-I225 WeakPolarHBondContact O-CG2 3.32Å; R218-I225 VanDerWaalsContact CA-N 3.27Å; R218-I225 VanDerWaalsContact CB-N 3.29Å; R218-I225 HydrophobicContact CG-CG1 4.3Å; R218-I225 VanDerWaalsContact N-N 3.11Å
226	S	40.8	Very low	44.3	Very low	12 Å²	12	91.8 Å²	91.8	8%	0.084	52%	0.519	C	S	.	.			trans	-164.4	105.6	162.9	-72.6	0	0	0	0	125.3	T212 K213 L214 L215 H216 E217 I224	T212-S226 CarbonylContact O-C 3.58Å; K213-S226 VanDerWaalsContact C-OG 3.29Å; K213-S226 VanDerWaalsContact CA-CB 3.47Å; K213-S226 VanDerWaalsContact CA-OG 3.24Å; K213-S226 WeakPolarHBondContact CA-OG 3.03Å; K213-S226 WeakPolarHBondContact CB-OG 3.13Å; K213-S226 PolarHBondContact O-OG 3.48Å; K213-S226 VanDerWaalsContact O-OG 3.04Å; L214-S226 VanDerWaalsContact C-CA 3.41Å; L214-S226 VanDerWaalsContact N-CA 3.35Å; L214-S226 PolarHBondContact O-N 2.85Å; L215-S226 VanDerWaalsContact N-N 3.15Å; H216-S226 CarbonylContact C-O 3.52Å; H216-S226 WeakPolarHBondContact CA-O 3.14Å; H216-S226 WeakPolarHBondContact CB-O 3.28Å; H216-S226 PolarHBondContact CD2-O 3.29Å; H216-S226 VanDerWaalsContact CG-O 3.29Å; H216-S226 VanDerWaalsContact N-CA 3.32Å; H216-S226 PolarHBondContact N-O 2.85Å; E217-S226 VanDerWaalsContact CG-CB 3.49Å; E217-S226 VanDerWaalsContact N-CA 3.26Å; E217-S226 VanDerWaalsContact N-CB 3.3Å; E217-S226 PolarHBondContact N-O 3.43Å; E217-S226 PolarHBondContact OE2-OG 2.72Å; I224-S226 PolarHBondContact O-N 2.76Å
227	G	35.3	Very low	42.2	Very low	9 Å²	9	93.8 Å²	93.8	9%	0.093	53%	0.533	C	S	.	.			trans	-79.6	-114.5	-149.1	0	0	0	0	0	129	T212 H216	T212-G227 WeakPolarHBondContact O-CA 3.32Å; T212-G227 PolarHBondContact O-N 2.96Å; H216-G227 WeakPolarHBondContact CB-O 3.36Å; H216-G227 PolarHBondContact CD2-O 2.74Å
228	R	35	Very low	40.5	Very low	95 Å²	95	94.4 Å²	94.4	36%	0.358	54%	0.543	S	S	.	.			trans	-106.9	-153.7	-142.4	-80.1	179	162.6	148	-3.7	115.7	L192 E193 T212 L215	L192-R228 PolarHBondContact O-NH1 2.88Å; E193-R228 PolarHBondContact O-NH2 3.45Å; T212-R228 WeakPolarHBondContact CG2-O 3.31Å; T212-R228 PolarHBondContact OG1-N 2.73Å; L215-R228 HydrophobicContact CD1-CG 4.39Å
229	P	34.5	Very low	38.7	Very low	89 Å²	89	99.7 Å²	99.7	58%	0.578	58%	0.575	S	S	*	*			cis	-126.9	-97.3	-7.3	24.2	4.2	0	0	0	122.3
230	P	37.8	Very low	37.3	Very low	101 Å²	101	101.2 Å²	101.2	66%	0.656	58%	0.583	S	S	*	*				-139.4	165.4	-129.8	44.6	-25	0	0	0	123.5
231	S	33.5	Very low	35.8	Very low	121 Å²	121	104.3 Å²	104.3	85%	0.846	59%	0.591	S	S	*	*			trans	54.5	129.6	146	64	0	0	0	0	126.3
232	G	35.2	Very low	34.8	Very low	79 Å²	79	105 Å²	105	81%	0.814	60%	0.602	S	S	*	*			trans	174	113.3	161	0	0	0	0	0	119.5
233	T	29.3	Very low	33.9	Very low	130 Å²	130	106.8 Å²	106.8	80%	0.798	60%	0.604	S	S	*	*			trans	-27.3	157.5	174.6	8.9	0	0	0	0	125.6
234	L	28.2	Very low	32.9	Very low	139 Å²	139	107.6 Å²	107.6	73%	0.728	61%	0.614	S	S	*	*			trans	66.7	151.8	152.1	-65.3	162.9	0	0	0	118.3
235	K	28	Very low	32.1	Very low	174 Å²	174	108.1 Å²	108.1	76%	0.757	63%	0.625	S	S	*	*			cis	172.2	132.8	-26.6	-116.6	-170	-159.3	163	0	106.4
236	K	26.6	Very low	32	Very low	185 Å²	185	113 Å²	113	80%	0.804	66%	0.656	S	S	*	*			trans	73.3	149.8	147.6	-93.7	-171.2	175.5	-169.6	0	122.6
237	L	27.3	Very low	31.7	Very low	141 Å²	141	117.5 Å²	117.5	74%	0.738	69%	0.687	S	S	*	*			trans	69.1	102.7	154.7	-64.6	161.3	0	0	0	117.1
238	T	28.6	Very low	31.8	Very low	111 Å²	111	123 Å²	123	68%	0.681	72%	0.715	S	S	*	*				93	119.2	65	51.4	0	0	0	0	115.2
239	N	25.2	Very low	31.9	Very low	152 Å²	152	125 Å²	125	81%	0.813	73%	0.728	S	S	*	*			trans	33.2	154.1	135.5	-66.2	10.2	0	0	0	122.1
240	P	35.5	Very low	32	Very low	106 Å²	106	128 Å²	128	69%	0.688	73%	0.734	S	S	*	*			cis	-139.6	-155.4	-26.1	31.1	-6.1	0	0	0	112.7
241	I	29.4	Very low	32	Very low	147 Å²	147	129.2 Å²	129.2	75%	0.754	73%	0.734	S	S	*	*			trans	104.6	129.9	151.2	-64	156.5	0	0	0	120.3
242	S	28.6	Very low	32.1	Very low	90 Å²	90	133.9 Å²	133.9	63%	0.629	73%	0.733	S	S	*	*			trans	68	125.3	152	66.9	0	0	0	0	124.3
243	L	30	Very low	32.2	Very low	156 Å²	156	136.7 Å²	136.7	82%	0.817	73%	0.729	S	S	*	*				58.8	143.1	129.3	-54.4	169.8	0	0	0	118.5
244	T	32.1	Very low	32.5	Very low	121 Å²	121	133.9 Å²	133.9	74%	0.742	72%	0.715	S	S	*	*			cis	-168.6	166	-1.3	12.6	0	0	0	0	107.2
245	S	35.1	Very low	32.9	Very low	89 Å²	89	134.3 Å²	134.3	62%	0.622	72%	0.718	S	S	*	*			cis	-164.3	-177.5	-4.2	52.2	0	0	0	0	108.5
246	T	35	Very low	33.3	Very low	125 Å²	125	132 Å²	132	77%	0.767	72%	0.718	S	S	*	*			trans	56.2	136.9	151.2	45.6	0	0	0	0	119.7
247	S	35.8	Very low	33.8	Very low	107 Å²	107	127 Å²	127	75%	0.748	71%	0.707	S	S	*	*			cis	177.3	149	-9.9	42.1	0	0	0	0	107.8
248	D	36.2	Very low	34.2	Very low	126 Å²	126	129.6 Å²	129.6	67%	0.674	71%	0.712	S	S	*	*			cis	-169.6	173.5	-15.9	-176.2	-152.9	0	0	0	107.7
249	Q	36.9	Very low	34.5	Very low	136 Å²	136	134.6 Å²	134.6	64%	0.636	72%	0.719	S	S	*	*			trans	71.1	144.5	164	-70.7	154.5	53.2	0	0	117.9
250	H	37.9	Very low	35	Very low	152 Å²	152	132 Å²	132	70%	0.704	71%	0.709	S	S	*	*			cis	-155.1	150.2	7	-125.9	-19.5	0	0	0	113.8
251	I	37	Very low	35	Very low	127 Å²	127	132.5 Å²	132.5	65%	0.651	71%	0.705	S	S	*	*			trans	76.9	106.2	148.6	-62	166.6	0	0	0	120
252	R	35.8	Very low	35.3	Very low	218 Å²	218	133.3 Å²	133.3	82%	0.823	71%	0.707	S	S	*	*				38.4	145	123.1	-55.1	175.1	-179.3	166.3	-0.4	119.8
253	N	36.7	Very low	35.5	Very low	138 Å²	138	132.3 Å²	132.3	74%	0.738	71%	0.712	S	S	*	*			cis	-174.6	177.6	2.1	-109.4	21.4	0	0	0	107.6
254	S	36.7	Very low	35.7	Very low	72 Å²	72	131.2 Å²	131.2	50%	0.503	71%	0.711	S	S	.	*			cis	177.1	146.6	-34.7	59.8	0	0	0	0	109.7
255	N	35.7	Very low	35.7	Very low	148 Å²	148	131.5 Å²	131.5	79%	0.791	71%	0.713	S	S	*	*			trans	67.4	158.7	156.6	-62.1	-14.3	0	0	0	117.9
256	T	36.9	Very low	35.7	Very low	124 Å²	124	131.1 Å²	131.1	76%	0.761	71%	0.71	S	S	*	*			cis	-168.7	165.1	-15.8	27.6	0	0	0	0	108.1
257	S	36.5	Very low	35.6	Very low	82 Å²	82	133.9 Å²	133.9	57%	0.573	71%	0.714	S	S	*	*			cis	174.4	141	-29.3	-177.8	0	0	0	0	109.2
258	K	36.9	Very low	35.6	Very low	194 Å²	194	133.1 Å²	133.1	84%	0.843	71%	0.714	S	S	*	*			trans	73.9	163.5	174.2	-52.1	142	-174.1	179.2	0	114.1
259	R	34.8	Very low	35.7	Very low	216 Å²	216	132.7 Å²	132.7	82%	0.815	72%	0.718	S	S	*	*			cis	-149.1	176.9	2.6	-140.6	-167.5	156.5	152.7	0.5	106.6
260	T	36.2	Very low	35.5	Very low	98 Å²	98	133.8 Å²	133.8	60%	0.601	72%	0.723	S	S	*	*			cis	-157.9	-176.9	8.4	-161.6	0	0	0	0	113.2
261	L	35.2	Very low	35.2	Very low	116 Å²	116	132 Å²	132	61%	0.607	72%	0.719	S	S	*	*			trans	-54.6	170.7	169.9	-76.1	50.6	0	0	0	114.6
262	M	34.7	Very low	35	Very low	164 Å²	164	130.6 Å²	130.6	81%	0.808	71%	0.712	S	S	*	*			cis	-155.3	159.6	-5.7	-118.4	160.4	-179.6	0	0	107.7
263	G	33.4	Very low	34.8	Very low	70 Å²	70	124.4 Å²	124.4	72%	0.722	70%	0.695	S	S	*	*				87.4	146.7	78.1	0	0	0	0	0	111
264	V	34.6	Very low	34.5	Very low	133 Å²	133	118 Å²	118	81%	0.806	66%	0.661	S	S	*	*			cis	-142.8	162.4	10	172.4	0	0	0	0	110.5
265	T	32.2	Very low	34.4	Very low	126 Å²	126	115.2 Å²	115.2	77%	0.773	64%	0.64	S	S	*	*			trans	-62	-176.6	177.5	51.5	0	0	0	0	113.5
266	S	33.6	Very low	34.3	Very low	81 Å²	81	111.8 Å²	111.8	57%	0.566	62%	0.622	S	S	*	*			cis	-178	163.6	35.3	67	0	0	0	0	117.1
267	H	34.7	Very low	34.2	Very low	184 Å²	184	110.2 Å²	110.2	85%	0.852	61%	0.609	S	S	*	*			trans	67.4	155.1	144.8	-63.8	-37.1	0	0	0	119.4
268	A	34.4	Very low	34.2	Very low	91 Å²	91	110.9 Å²	110.9	75%	0.752	61%	0.613	S	S	*	*			cis	-149.1	169.8	-4.8	0	0	0	0	0	111.8
269	P	39.4	Very low	34	Very low	116 Å²	116	110.1 Å²	110.1	75%	0.753	61%	0.605	S	S	*	*			trans	-118.6	-140.9	-161	45.1	-32.6	0	0	0	114.9
270	E	33.1	Very low	34	Very low	160 Å²	160	103.3 Å²	103.3	75%	0.748	60%	0.595	S	S	*	*			trans	106.4	137.9	175.2	-64	-167.8	-153	0	0	115.5
271	N	31.6	Very low	33.7	Very low	114 Å²	114	106 Å²	106	61%	0.61	61%	0.606	S	S	*	*			cis	-157.8	158.8	1	-106.2	-23.2	0	0	0	114.8
272	I	32.4	Very low	33.6	Very low	97 Å²	97	108.1 Å²	108.1	50%	0.497	62%	0.616	S	S	.	*			trans	55.6	177.9	151.6	-127.2	166.2	0	0	0	118.3	K199	K199-I272 WeakPolarHBondContact CE-O 3.26Å; K199-I272 PolarHBondContact NZ-O 3.16Å
273	L	31.3	Very low	33.4	Very low	89 Å²	89	104.4 Å²	104.4	47%	0.466	61%	0.607	S	S	.	*			cis	-131.2	180	-6.3	-122.5	-175.9	0	0	0	110.9	K199 Y202	K199-L273 VanDerWaalsContact CE-O 3.25Å; K199-L273 WeakPolarHBondContact CE-O 3.42Å; K199-L273 WeakPolarHBondContact CG-O 3.34Å; Y202-L273 HydrophobicContact CD1-CD2 4.45Å; Y202-L273 HydrophobicContact CD2-CD1 4.48Å; Y202-L273 HydrophobicContact CD2-CD2 4.06Å; Y202-L273 HydrophobicContact CE2-CD1 4.39Å; Y202-L273 HydrophobicContact CG-CD2 3.9Å
274	S	30.1	Very low	33.3	Very low	4 Å²	4	104.4 Å²	104.4	3%	0.028	59%	0.593	C	S	.	*				-143.9	-167	-126.8	-33.8	0	0	0	0	118.8	N198 K199 Y202 C203	N198-S274 VanDerWaalsContact O-CB 3.28Å; N198-S274 WeakPolarHBondContact O-CB 3.48Å; N198-S274 PolarHBondContact O-OG 3.01Å; K199-S274 VanDerWaalsContact C-CB 3.43Å; K199-S274 WeakPolarHBondContact CA-OG 3.4Å; Y202-S274 CarbonylContact C-O 3.27Å; Y202-S274 VanDerWaalsContact CA-C 3.43Å; Y202-S274 WeakPolarHBondContact CA-O 3.47Å; Y202-S274 VanDerWaalsContact CB-C 3.41Å; Y202-S274 WeakPolarHBondContact CB-O 3.4Å; Y202-S274 PolarHBondContact N-O 3.01Å; C203-S274 WeakPolarHBondContact CA-O 3.19Å; C203-S274 WeakPolarHBondContact CB-O 3.46Å; C203-S274 PolarHBondContact N-O 2.78Å; C203-S274 PolarHBondContact SG-O 3.49Å
275	D	34	Very low	33.1	Very low	13 Å²	13	104.8 Å²	104.8	7%	0.07	59%	0.59	C	S	.	*			trans	-113.6	117.3	-168.1	-58.8	14.4	0	0	0	122.7	L192 L200 M201 Y202 C203 F204 G205	L192-D275 WeakPolarHBondContact CD2-OD2 3.46Å; L200-D275 HydrophobicContact CD2-CB 4.34Å; L200-D275 WeakPolarHBondContact CD2-OD2 3.3Å; M201-D275 CarbonylContact C-O 3.25Å; M201-D275 VanDerWaalsContact C-O 3.25Å; M201-D275 WeakPolarHBondContact CA-O 3.46Å; M201-D275 PolarHBondContact N-O 2.75Å; Y202-D275 VanDerWaalsContact CA-C 3.45Å; Y202-D275 PolarHBondContact N-O 3.27Å; C203-D275 HydrophobicContact CB-CB 4.24Å; F204-D275 CarbonylContact C-O 3.39Å; F204-D275 HydrophobicContact CD2-CB 4.01Å; F204-D275 WeakPolarHBondContact CD2-OD2 3.44Å; F204-D275 CarbonylContact O-C 3.49Å; F204-D275 VanDerWaalsContact O-C 3.27Å; F204-D275 WeakPolarHBondContact O-CB 3.38Å; G205-D275 VanDerWaalsContact CA-C 3.49Å; G205-D275 WeakPolarHBondContact CA-O 3.43Å
276	D	34.5	Very low	33.4	Very low	76 Å²	76	103.7 Å²	103.7	41%	0.406	59%	0.585	S	S	.	*			trans	-152.7	126.7	165.5	177.7	42	0	0	0	117.7	Y202 C203 F204 D206	Y202-D276 CarbonylContact C-O 3.03Å; C203-D276 VanDerWaalsContact C-CA 3.45Å; C203-D276 CarbonylContact C-O 3.21Å; C203-D276 VanDerWaalsContact CA-O 3.27Å; C203-D276 WeakPolarHBondContact CA-O 3.31Å; C203-D276 PolarHBondContact N-O 2.8Å; C203-D276 CarbonylContact O-C 2.72Å; F204-D276 VanDerWaalsContact CA-CA 3.43Å; D206-D276 WeakPolarHBondContact CB-OD1 3.35Å; D206-D276 PolarHBondContact N-OD1 2.85Å
277	D	33.6	Very low	33.1	Very low	90 Å²	90	104.4 Å²	104.4	48%	0.481	59%	0.59	S	S	.	*			cis	78.5	157.5	-28.7	-116.7	-20.7	0	0	0	132.4	C203 F204 E207	C203-D277 PolarHBondContact O-N 2.99Å; F204-D277 VanDerWaalsContact CA-CB 3.47Å; F204-D277 HydrophobicContact CB-CB 3.61Å; F204-D277 HydrophobicContact CD1-CB 4.01Å; F204-D277 HydrophobicContact CG-CB 4.31Å; E207-D277 WeakPolarHBondContact CB-O 3.49Å; E207-D277 PolarHBondContact N-O 3.17Å; E207-D277 VanDerWaalsContact N-O 3.13Å
278	S	37.1	Very low	32.7	Very low	96 Å²	96	104.7 Å²	104.7	67%	0.671	59%	0.589	S	S	*	*			trans	-154.9	147.3	-163.7	177	0	0	0	0	121.9	E207	E207-S278 VanDerWaalsContact OE1-O 3.05Å
279	W	33.9	Very low	32.4	Very low	178 Å²	178	106.6 Å²	106.6	67%	0.674	59%	0.591	S	S	*	*			trans	-101	-177.9	-167.6	-133.4	43.3	0	0	0	121	E207 V210	E207-W279 HydrophobicContact CG-CB 4.4Å; E207-W279 WeakPolarHBondContact OE1-CA 3.06Å; E207-W279 PolarHBondContact OE1-N 3.33Å; E207-W279 VanDerWaalsContact OE1-N 3.14Å; V210-W279 HydrophobicContact CG1-CG 4.46Å; V210-W279 HydrophobicContact CG1-CZ2 4.38Å; V210-W279 HydrophobicContact CG2-CB 4.29Å; V210-W279 HydrophobicContact CG2-CD2 3.73Å; V210-W279 HydrophobicContact CG2-CE3 4.43Å; V210-W279 HydrophobicContact CG2-CG 3.72Å; V210-W279 HydrophobicContact CG2-CZ2 4.29Å
280	A	33	Very low	31.8	Very low	74 Å²	74	112 Å²	112	61%	0.612	60%	0.597	S	S	*	*			trans	-87.5	165.5	-160.6	0	0	0	0	0	121
281	N	30.8	Very low	31.5	Very low	155 Å²	155	108.7 Å²	108.7	83%	0.829	60%	0.597	S	S	*	*			trans	179.5	158.2	136.7	-105.4	-57.7	0	0	0	119.4
282	I	32.6	Very low	31.3	Very low	159 Å²	159	108.9 Å²	108.9	82%	0.815	61%	0.607	S	S	*	*			trans	77.8	159.5	154.8	-68.5	160.8	0	0	0	119.8
283	S	30.2	Very low	31.2	Very low	87 Å²	87	109.3 Å²	109.3	61%	0.608	62%	0.619	S	S	*	*			trans	-144.4	164.3	-137	59	0	0	0	0	119.1
284	T	32.5	Very low	31	Very low	70 Å²	70	112 Å²	112	43%	0.429	63%	0.634	S	S	.	*			trans	54.1	118.7	144.2	50.6	0	0	0	0	124
285	N	29.7	Very low	31	Very low	140 Å²	140	118.2 Å²	118.2	75%	0.749	67%	0.671	S	S	*	*				72.6	161.1	127.6	-72.1	-27.4	0	0	0	121.6
286	P	37.9	Very low	30.8	Very low	103 Å²	103	122.7 Å²	122.7	67%	0.669	70%	0.701	S	S	*	*			cis	-144.3	171.9	-41.2	41.1	-25.3	0	0	0	116.3
287	S	27.9	Very low	30.7	Very low	97 Å²	97	127.1 Å²	127.1	68%	0.678	72%	0.723	S	S	*	*			trans	89	134	139.5	84.9	0	0	0	0	122.5
288	K	26	Very low	30.3	Very low	189 Å²	189	131.9 Å²	131.9	82%	0.822	74%	0.739	S	S	*	*			trans	51.3	110.1	144.6	-61.7	165.9	-177	171.8	0	119.1
289	T	28.7	Very low	29.8	Very low	131 Å²	131	133 Å²	133	80%	0.804	75%	0.745	S	S	*	*				-173.1	155.4	95.8	22.3	0	0	0	0	114.9
290	R	27.7	Very low	29.6	Very low	230 Å²	230	131.1 Å²	131.1	87%	0.868	75%	0.748	S	S	*	*			trans	35.5	111.5	148.9	-70	176	163.3	165.5	-6.4	121.1
291	A	25.1	Very low	29.2	Very low	90 Å²	90	134 Å²	134	74%	0.744	76%	0.758	S	S	*	*				39.9	151.4	105.4	0	0	0	0	0	121.9
292	S	28.8	Very low	29.2	Very low	118 Å²	118	132.4 Å²	132.4	83%	0.825	75%	0.754	S	S	*	*			trans	70.6	144.8	177.8	68.5	0	0	0	0	115.2
293	S	30	Very low	28.8	Very low	106 Å²	106	136 Å²	136	74%	0.741	76%	0.757	S	S	*	*			cis	-159.5	-179.6	-9.5	40.6	0	0	0	0	111
294	D	27	Very low	28.8	Very low	146 Å²	146	141.8 Å²	141.8	78%	0.781	77%	0.771	S	S	*	*			trans	-50.2	142.9	177.8	-44.4	-103.4	0	0	0	115.8
295	V	30.7	Very low	28.5	Very low	135 Å²	135	143.6 Å²	143.6	82%	0.818	79%	0.787	S	S	*	*				-149.4	129.5	126.6	176.4	0	0	0	0	108.9
296	P	28.6	Very low	28.5	Very low	107 Å²	107	144 Å²	144	70%	0.695	79%	0.794	S	S	*	*			trans	-93.7	148.6	176.2	35.7	-33.8	0	0	0	113.3
297	I	32.8	Very low	28	Very low	169 Å²	169	144.4 Å²	144.4	87%	0.867	80%	0.795	S	S	*	*			trans	-107.5	119.1	170	-62.4	-178.7	0	0	0	110.3
298	K	25.5	Very low	28.1	Very low	190 Å²	190	147.5 Å²	147.5	83%	0.826	80%	0.799	S	S	*	*			trans	-93	141.6	170.3	-62.5	170.5	179.9	169.4	0	110
299	C	26.1	Very low	28.3	Very low	118 Å²	118	146.8 Å²	146.8	80%	0.797	80%	0.796	S	S	*	*			trans	-169.6	147.7	146.4	-98.2	0	0	0	0	109.1
300	L	29.5	Very low	28.3	Very low	139 Å²	139	145.9 Å²	145.9	73%	0.728	79%	0.79	S	S	*	*			cis	-154.3	125.5	-13.1	-138.5	170.4	0	0	0	108.1	V302	L300-V302 PolarHBondContact O-N 2.79Å
301	T	24.5	Very low	28.4	Very low	134 Å²	134	142.2 Å²	142.2	82%	0.822	79%	0.787	S	S	*	*			trans	-90.1	107.6	-179.5	-46.4	0	0	0	0	111.1
302	V	30.9	Very low	28.6	Very low	123 Å²	123	144.8 Å²	144.8	75%	0.745	79%	0.789	S	S	*	*			trans	-100.5	107.6	175.9	-178.2	0	0	0	0	110.7	L300	L300-V302 PolarHBondContact O-N 2.79Å
303	R	23.9	Very low	28.6	Very low	234 Å²	234	146.5 Å²	146.5	88%	0.883	79%	0.789	S	S	*	*			trans	-96.1	125.3	159.2	-77.3	-179.6	171.5	175.8	-3	109
304	K	31.4	Very low	28.4	Very low	208 Å²	208	147.3 Å²	147.3	90%	0.904	79%	0.793	S	S	*	*			trans	-140	129.7	150.4	-95.6	-172.8	177.5	178.2	0	109.7
305	S	25.2	Very low	28.4	Very low	109 Å²	109	146.6 Å²	146.6	76%	0.762	79%	0.794	S	S	*	*			trans	-112.5	131.4	178.4	51.8	0	0	0	0	109.7
306	V	31	Very low	28.4	Very low	147 Å²	147	146.9 Å²	146.9	89%	0.891	79%	0.79	S	S	*	*			trans	-134.5	145.8	160.1	-176.2	0	0	0	0	107.2
307	T	26.7	Very low	28.6	Very low	112 Å²	112	153.3 Å²	153.3	69%	0.687	80%	0.8	S	S	*	*			trans	-124	156.7	-168	42.4	0	0	0	0	112.4
308	Q	29.9	Very low	28.6	Very low	163 Å²	163	152 Å²	152	76%	0.762	79%	0.79	S	S	*	*			trans	74.4	148.9	169.6	-64.2	175.5	29.1	0	0	114.6
309	K	30.9	Very low	28.9	Very low	174 Å²	174	145.5 Å²	145.5	76%	0.757	77%	0.767	S	S	*	*			cis	-145.5	163.4	16.3	-134.6	153.9	-171.1	179.5	0	113.1
310	T	27.3	Very low	29.2	Very low	112 Å²	112	145.4 Å²	145.4	69%	0.687	76%	0.763	S	S	*	*			trans	-16.1	137.9	165.3	50.5	0	0	0	0	119.3
311	D	30.7	Very low	29.1	Very low	152 Å²	152	145.2 Å²	145.2	81%	0.813	76%	0.76	S	S	*	*				-166	168.8	99.3	-95.8	-20.9	0	0	0	113.6
312	N	28.8	Very low	29.4	Very low	144 Å²	144	143.5 Å²	143.5	77%	0.77	75%	0.75	S	S	*	*			trans	-95.7	134.5	-169.5	-59	-61.8	0	0	0	113.3
313	N	30.1	Very low	29.2	Very low	154 Å²	154	147.7 Å²	147.7	82%	0.824	76%	0.758	S	S	*	*				176.9	152.5	118.9	-94.6	-40.1	0	0	0	114.5
314	C	25.3	Very low	29.5	Very low	124 Å²	124	142.7 Å²	142.7	84%	0.838	75%	0.749	S	S	*	*			trans	36.4	89.3	157.7	-142.7	0	0	0	0	118.5
315	T	27.3	Very low	29.2	Very low	131 Å²	131	138.4 Å²	138.4	80%	0.804	75%	0.745	S	S	*	*			trans	-99.3	110.9	175.3	-34.1	0	0	0	0	112.1	R317	T315-R317 PolarHBondContact O-N 2.79Å
316	I	30.5	Very low	29.5	Very low	141 Å²	141	135.7 Å²	135.7	72%	0.723	73%	0.734	S	S	*	*			trans	-68.6	127.4	163.4	-62.2	174.5	0	0	0	107.6	H318	I316-H318 PolarHBondContact O-N 2.84Å
317	R	32.6	Very low	29.4	Very low	242 Å²	242	134.3 Å²	134.3	91%	0.913	72%	0.718	S	S	*	*			trans	-74.4	108.1	179	-72.1	-174.8	177.5	-178.6	-0.2	110.4	T315	T315-R317 PolarHBondContact O-N 2.79Å
318	H	32.8	Very low	29.8	Very low	140 Å²	140	131.6 Å²	131.6	65%	0.648	71%	0.712	S	S	*	*			trans	-64.6	145	165.6	-73.6	-107.4	0	0	0	110.3	I316 T320	I316-H318 PolarHBondContact O-N 2.84Å; H318-T320 PolarHBondContact O-N 2.96Å; H318-T320 VanDerWaalsContact O-N 3.12Å
319	P	32.2	Very low	30.1	Very low	54 Å²	54	125.5 Å²	125.5	35%	0.351	69%	0.688	S	S	.	*			trans	-73.9	103.1	-179.6	28.1	-30.9	0	0	0	110.9	M374 R384	P319-M374 HydrophobicContact CG-CE 3.4Å; P319-M374 VanDerWaalsContact CG-CE 3.4Å; P319-R384 WeakPolarHBondContact CB-O 3.36Å
320	T	31	Very low	30.5	Very low	117 Å²	117	119.9 Å²	119.9	72%	0.718	67%	0.674	S	S	*	*			trans	-62.3	135.3	176.8	-40.7	0	0	0	0	111	H318 T322	H318-T320 PolarHBondContact O-N 2.96Å; H318-T320 VanDerWaalsContact O-N 3.12Å; T320-T322 PolarHBondContact O-N 3.44Å
321	M	29	Very low	31.2	Very low	134 Å²	134	116.6 Å²	116.6	66%	0.66	65%	0.65	S	S	*	*			trans	-65	98.1	167.7	-70.1	-153	77.4	0	0	110.4	F323	M321-F323 PolarHBondContact O-N 3.36Å
322	T	30.1	Very low	31.6	Very low	98 Å²	98	114 Å²	114	60%	0.601	64%	0.635	S	S	*	*			trans	-72.7	121.7	169.5	50.4	0	0	0	0	109.4	T320 D324	T320-T322 PolarHBondContact O-N 3.44Å; T322-D324 PolarHBondContact O-N 3.05Å; T322-D324 VanDerWaalsContact O-N 3.07Å
323	F	25.5	Very low	32.1	Very low	211 Å²	211	109.7 Å²	109.7	93%	0.925	62%	0.616	S	S	*	*			trans	-61	109.4	165.6	-118.9	-96	0	0	0	108.5	M321 S325	M321-F323 PolarHBondContact O-N 3.36Å; F323-S325 PolarHBondContact O-N 3.32Å
324	D	30.9	Very low	32.4	Very low	130 Å²	130	106.2 Å²	106.2	70%	0.695	60%	0.597	S	S	*	*			trans	-64.5	123	167.9	-176.2	-7.7	0	0	0	107.9	T322 G326	T322-D324 PolarHBondContact O-N 3.05Å; T322-D324 VanDerWaalsContact O-N 3.07Å; D324-G326 PolarHBondContact O-N 2.83Å; D324-G326 PolarHBondContact OD1-N 3.23Å; D324-G326 VanDerWaalsContact OD1-N 3.11Å
325	S	26.5	Very low	32.8	Very low	118 Å²	118	109.2 Å²	109.2	83%	0.825	60%	0.598	S	S	*	*			trans	-84.2	8.9	-174.9	54.8	0	0	0	0	113.7	F323 E327	F323-S325 PolarHBondContact O-N 3.32Å; S325-E327 PolarHBondContact O-N 3.07Å
326	G	29.9	Very low	33	Very low	51 Å²	51	106.5 Å²	106.5	53%	0.526	59%	0.589	S	S	.	*	S	Bend	trans	-61.5	123	160.8	0	0	0	0	0	111.2	D324 G328	D324-G326 PolarHBondContact O-N 2.83Å; D324-G326 PolarHBondContact OD1-N 3.23Å; D324-G326 VanDerWaalsContact OD1-N 3.11Å; G326-G328 PolarHBondContact O-N 2.74Å
327	E	30.1	Very low	33	Very low	118 Å²	118	107.5 Å²	107.5	55%	0.551	59%	0.591	S	S	*	*			trans	-66.1	72.7	-178.8	-64.6	-175.5	139.9	0	0	112.8	S325 S329 T776	S325-E327 PolarHBondContact O-N 3.07Å; E327-S329 PolarHBondContact O-N 3.39Å; E327-T776 VanDerWaalsContact OE2-CB 3.23Å; E327-T776 WeakPolarHBondContact OE2-CB 3.23Å; E327-T776 PolarHBondContact OE2-OG1 3.36Å
328	G	34.1	Very low	33.4	Very low	55 Å²	55	97.3 Å²	97.3	57%	0.567	56%	0.557	S	S	*	*			trans	-80.4	93	172.8	0	0	0	0	0	110.7	G326 A330	G326-G328 PolarHBondContact O-N 2.74Å; G328-A330 PolarHBondContact O-N 3.12Å
329	S	37.4	Very low	33.5	Very low	36 Å²	36	98.4 Å²	98.4	25%	0.252	56%	0.56	S	S	.	*			trans	-49.2	137.7	163.6	46.1	0	0	0	0	110	E327	E327-S329 PolarHBondContact O-N 3.39Å
330	A	37.7	Very low	33.8	Very low	56 Å²	56	97.5 Å²	97.5	46%	0.463	55%	0.549	S	S	.	.			trans	-53.8	153.2	166.5	0	0	0	0	0	109.5	G328 L332	G328-A330 PolarHBondContact O-N 3.12Å; A330-L332 VanDerWaalsContact C-N 3.25Å; A330-L332 PolarHBondContact O-N 3.18Å
331	F	43	Very low	34.2	Very low	43 Å²	43	95.9 Å²	95.9	19%	0.189	54%	0.536	C	S	.	.			trans	-66	90.5	173.4	-175	-90.7	0	0	0	108.4	I572 G766 E767	F331-I572 HydrophobicContact CD2-CG2 4.03Å; F331-I572 HydrophobicContact CE2-CG2 4.37Å; F331-I572 HydrophobicContact CG-CG2 4.43Å; F331-G766 WeakPolarHBondContact CZ-O 3.41Å; F331-E767 HydrophobicContact CD2-CB 4.11Å; F331-E767 HydrophobicContact CD2-CG 4.1Å; F331-E767 HydrophobicContact CE2-CB 3.8Å; F331-E767 HydrophobicContact CE2-CG 4.31Å
332	L	39.6	Very low	34.6	Very low	96 Å²	96	93.1 Å²	93.1	50%	0.503	53%	0.526	S	S	.	.	B	Isolated β-bridge	trans	-78.2	130.6	-176.3	-75.4	176.7	0	0	0	109.3	A330 A768	A330-L332 VanDerWaalsContact C-N 3.25Å; A330-L332 PolarHBondContact O-N 3.18Å; L332-A768 HydrophobicContact CB-CB 3.95Å; L332-A768 VanDerWaalsContact O-CB 3.29Å; L332-A768 WeakPolarHBondContact O-CB 3.35Å; L332-A768 PolarHBondContact O-N 2.84Å
333	P	38.4	Very low	34.5	Very low	54 Å²	54	95.3 Å²	95.3	35%	0.351	53%	0.53	S	S	.	.			trans	-52.6	143.6	169.1	-29.2	37.2	0	0	0	112.3	Q335	P333-Q335 PolarHBondContact O-N 3.44Å
334	L	36.1	Very low	34.7	Very low	82 Å²	82	89.8 Å²	89.8	43%	0.429	51%	0.514	S	S	.	.			trans	-68	102.2	171.2	-73.4	169.6	0	0	0	109.8	A768	L334-A768 HydrophobicContact CD2-CB 4.06Å
335	Q	34.1	Very low	34.5	Very low	186 Å²	186	87.1 Å²	87.1	87%	0.869	50%	0.497	S	S	*	.			trans	-115.4	11.3	172.4	-70.1	-169.6	-25.7	0	0	113.3	P333	P333-Q335 PolarHBondContact O-N 3.44Å
336	A	31.4	Very low	34.7	Very low	74 Å²	74	84.8 Å²	84.8	61%	0.612	48%	0.48	S	S	*	.			trans	-146.5	95.8	179.7	0	0	0	0	0	111.9
337	Q	31.5	Very low	34.6	Very low	162 Å²	162	86.4 Å²	86.4	76%	0.757	48%	0.477	S	S	*	.			trans	-66.7	138.2	169.1	-63.7	178.6	3.4	0	0	110.1
338	S	39.6	Very low	34.7	Very low	28 Å²	28	87 Å²	87	20%	0.196	48%	0.483	C	S	.	.			trans	-87.3	153.5	169.5	81.3	0	0	0	0	110.4	W340 D341	S338-W340 PolarHBondContact O-N 3.29Å; S338-W340 PolarHBondContact OG-N 3.04Å; S338-D341 WeakPolarHBondContact CA-OD2 3.27Å; S338-D341 VanDerWaalsContact CB-OD2 3.24Å; S338-D341 WeakPolarHBondContact CB-OD2 3.5Å; S338-D341 PolarHBondContact N-OD2 3.32Å; S338-D341 PolarHBondContact O-N 2.93Å; S338-D341 PolarHBondContact OG-N 3.13Å; S338-D341 PolarHBondContact OG-OD2 2.87Å
339	K	34.6	Very low	34.5	Very low	164 Å²	164	91.6 Å²	91.6	71%	0.713	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-4.3	177.5	-155.2	-179.4	178.3	-175.7	0	113.5
340	W	40.3	Very low	34.9	Very low	34 Å²	34	97.2 Å²	97.2	13%	0.129	51%	0.507	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-11.3	177.4	-66.3	116.4	0	0	0	113.7	S338 V342 I754 H795 T904 P906	S338-W340 PolarHBondContact O-N 3.29Å; S338-W340 PolarHBondContact OG-N 3.04Å; W340-V342 PolarHBondContact O-N 2.89Å; W340-V342 VanDerWaalsContact O-N 3.16Å; W340-I754 HydrophobicContact CZ2-CD1 4.22Å; W340-H795 AromaticContact CE2-CE1 3.63Å; W340-H795 AromaticContact CZ2-CE1 3.3Å; W340-H795 WeakPolarHBondContact CZ2-CE1 3.25Å; W340-H795 AromaticContact CZ2-ND1 3.63Å; W340-H795 AromaticContact NE1-CE1 3.61Å; W340-T904 WeakPolarHBondContact CH2-O 3.34Å; W340-P906 HydrophobicContact CH2-CG 3.92Å; W340-P906 HydrophobicContact CZ2-CB 4.02Å; W340-P906 HydrophobicContact CZ2-CG 3.72Å
341	D	38.3	Very low	35.7	Very low	84 Å²	84	99.2 Å²	99.2	45%	0.449	51%	0.51	S	S	.	.			trans	-65.6	115.5	177.2	-68	-55.4	0	0	0	109.8	S338 Q343	S338-D341 WeakPolarHBondContact CA-OD2 3.27Å; S338-D341 VanDerWaalsContact CB-OD2 3.24Å; S338-D341 WeakPolarHBondContact CB-OD2 3.5Å; S338-D341 PolarHBondContact N-OD2 3.32Å; S338-D341 PolarHBondContact O-N 2.93Å; S338-D341 PolarHBondContact OG-N 3.13Å; S338-D341 PolarHBondContact OG-OD2 2.87Å; D341-Q343 PolarHBondContact O-N 2.85Å; D341-Q343 VanDerWaalsContact O-N 3.17Å
342	V	36.9	Very low	36.7	Very low	75 Å²	75	100.1 Å²	100.1	46%	0.455	52%	0.515	S	S	.	.			trans	-60.4	119	164.9	177.1	0	0	0	0	106	W340 T344	W340-V342 PolarHBondContact O-N 2.89Å; W340-V342 VanDerWaalsContact O-N 3.16Å; V342-T344 VanDerWaalsContact C-N 3.29Å; V342-T344 PolarHBondContact O-N 2.85Å
343	Q	27.8	Very low	38.1	Very low	145 Å²	145	99.3 Å²	99.3	68%	0.678	52%	0.515	S	S	*	.			trans	-55	88.1	-176	-72.8	177.1	-39.3	0	0	111.9	D341	D341-Q343 PolarHBondContact O-N 2.85Å; D341-Q343 VanDerWaalsContact O-N 3.17Å
344	T	31.5	Very low	40.3	Very low	95 Å²	95	97.4 Å²	97.4	58%	0.583	50%	0.502	S	S	*	.			trans	-80.9	123.7	171.3	46.7	0	0	0	0	107.9	V342 C346	V342-T344 VanDerWaalsContact C-N 3.29Å; V342-T344 PolarHBondContact O-N 2.85Å; T344-C346 PolarHBondContact O-N 3.43Å
345	H	26.3	Very low	42.7	Very low	73 Å²	73	94.1 Å²	94.1	34%	0.338	49%	0.485	S	S	.	.			trans	-70.1	106.1	179.6	-83.9	-100.5	0	0	0	111	P178 S180 F181	P178-H345 WeakPolarHBondContact CB-NE2 3.26Å; P178-H345 WeakPolarHBondContact CG-NE2 3.09Å; P178-H345 PolarHBondContact O-NE2 3.01Å; S180-H345 WeakPolarHBondContact CA-ND1 3.49Å; S180-H345 WeakPolarHBondContact CA-NE2 3.42Å; S180-H345 WeakPolarHBondContact CB-CD2 3.44Å; S180-H345 WeakPolarHBondContact CB-CE1 3.41Å; S180-H345 WeakPolarHBondContact CB-ND1 3.46Å; S180-H345 WeakPolarHBondContact CB-NE2 2.96Å; S180-H345 PolarHBondContact N-NE2 3.49Å; S180-H345 WeakPolarHBondContact OG-CA 2.87Å; S180-H345 VanDerWaalsContact OG-CB 3.3Å; S180-H345 WeakPolarHBondContact OG-CB 3.32Å; S180-H345 PolarHBondContact OG-CD2 3.11Å; S180-H345 PolarHBondContact OG-CE1 3.07Å; S180-H345 PolarHBondContact OG-ND1 3.33Å; S180-H345 PolarHBondContact OG-NE2 2.86Å; F181-H345 PolarHBondContact N-CE1 3.08Å; F181-H345 PolarHBondContact N-ND1 2.6Å; F181-H345 PolarHBondContact N-NE2 3.21Å
346	C	29.5	Very low	44.9	Very low	70 Å²	70	85.6 Å²	85.6	47%	0.473	45%	0.447	S	S	.	.			trans	-126.4	105.5	176.3	-65.4	0	0	0	0	105.7	T344 D348	T344-C346 PolarHBondContact O-N 3.43Å; C346-D348 PolarHBondContact O-N 2.89Å
347	D	29.1	Very low	47.3	Very low	85 Å²	85	86 Å²	86	46%	0.455	45%	0.445	S	S	.	.			trans	-67	115.7	172.2	-45.3	-78.3	0	0	0	107.8	Q349	D347-Q349 PolarHBondContact O-N 3.45Å
348	D	30.9	Very low	49.8	Very low	130 Å²	130	82 Å²	82	70%	0.695	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	40.8	-163.8	-80.7	-42.1	0	0	0	114.7	C346	C346-D348 PolarHBondContact O-N 2.89Å
349	Q	31.4	Very low	51.9	Low	152 Å²	152	81.8 Å²	81.8	71%	0.71	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-9.9	-176	-72.1	-170.5	-10	0	0	115.6	D347	D347-Q349 PolarHBondContact O-N 3.45Å
350	Y	44.2	Very low	54.4	Low	154 Å²	154	77.8 Å²	77.8	60%	0.604	42%	0.418	S	S	*	.			trans	-122.4	62.5	-165.5	-60.2	-71.3	0	0	0	115.4	Q352	Y350-Q352 PolarHBondContact O-N 3.25Å
351	N	55.3	Low	56.8	Low	97 Å²	97	76.2 Å²	76.2	52%	0.519	41%	0.412	S	S	.	.			trans	-69	105.1	156	-71.9	-60	0	0	0	108.8	P353	N351-P353 WeakPolarHBondContact O-CD 3.48Å
352	Q	64.2	Low	59.1	Low	62 Å²	62	74.8 Å²	74.8	29%	0.29	41%	0.405	S	S	.	.			trans	-65.6	121.5	167.3	-65.3	-69.1	-7.6	0	0	108.2	Y350 W570 I572	Y350-Q352 PolarHBondContact O-N 3.25Å; Q352-W570 HydrophobicContact CB-CD2 4.06Å; Q352-W570 HydrophobicContact CB-CE3 4.28Å; Q352-W570 HydrophobicContact CB-CG 4.41Å; Q352-W570 VanDerWaalsContact CD-CZ2 3.48Å; Q352-W570 HydrophobicContact CG-CD2 4.22Å; Q352-W570 HydrophobicContact CG-CE3 4.36Å; Q352-W570 HydrophobicContact CG-CH2 4.07Å; Q352-W570 HydrophobicContact CG-CZ2 3.89Å; Q352-W570 HydrophobicContact CG-CZ3 4.29Å; Q352-I572 HydrophobicContact CB-CD1 4.36Å
353	P	69.8	Low	61.2	Low	79 Å²	79	72 Å²	72	51%	0.513	39%	0.392	S	S	.	.			trans	-68.1	142.7	178.3	28.8	-34	0	0	0	110.3	N351 D355 W570	N351-P353 WeakPolarHBondContact O-CD 3.48Å; P353-D355 PolarHBondContact O-N 3.22Å; P353-W570 WeakPolarHBondContact O-CB 3.45Å
354	D	82.9	Confident	63.5	Low	14 Å²	14	67.2 Å²	67.2	8%	0.075	37%	0.371	C	S	.	.			trans	-75.7	99.3	168.9	-176	29.2	0	0	0	108.1	G356 S357 R388 N389 I572	D354-G356 PolarHBondContact O-N 3.47Å; D354-G356 VanDerWaalsContact O-N 3.11Å; D354-S357 WeakPolarHBondContact O-CB 3.27Å; D354-S357 PolarHBondContact O-N 2.93Å; D354-S357 PolarHBondContact O-OG 3.24Å; D354-R388 IonicContact OD2-CZ 2.67Å; D354-R388 IonicContact OD2-NH2 3.5Å; D354-R388 PolarHBondContact OD2-NH2 2.87Å; D354-N389 PolarHBondContact OD1-ND2 3Å; D354-N389 PolarHBondContact OD2-ND2 3.04Å; D354-I572 PolarHBondContact OD1-N 3.37Å
355	D	87.1	Confident	66	Low	14 Å²	14	68.2 Å²	68.2	8%	0.075	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-56.8	-26.5	177.2	-78.2	-79.5	0	0	0	111	P353 S357 T358 F361 K569 W570 F571	P353-D355 PolarHBondContact O-N 3.22Å; D355-S357 PolarHBondContact O-N 3.35Å; D355-S357 VanDerWaalsContact O-N 3.09Å; D355-T358 WeakPolarHBondContact O-CB 3.34Å; D355-T358 PolarHBondContact O-N 3.31Å; D355-T358 VanDerWaalsContact O-N 3.08Å; D355-T358 PolarHBondContact O-OG1 3.43Å; D355-F361 HydrophobicContact CB-CE2 4.32Å; D355-K569 HydrophobicContact CB-CD 4.1Å; D355-K569 WeakPolarHBondContact OD1-CD 3.4Å; D355-K569 IonicContact OD1-NZ 4Å; D355-K569 PolarHBondContact OD1-NZ 2.78Å; D355-K569 WeakPolarHBondContact OD2-CA 3.25Å; D355-K569 WeakPolarHBondContact OD2-CD 3.11Å; D355-W570 WeakPolarHBondContact CA-O 3.32Å; D355-W570 WeakPolarHBondContact CB-O 3.5Å; D355-W570 PolarHBondContact N-O 3.07Å; D355-W570 PolarHBondContact OD2-N 3.38Å; D355-F571 HydrophobicContact CB-CE1 4.07Å; D355-F571 HydrophobicContact CB-CZ 4.25Å
356	G	80.3	Confident	68.9	Low	6 Å²	6	71.2 Å²	71.2	6%	0.062	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-60.1	-11.2	170.5	0	0	0	0	0	115.6	D354	D354-G356 PolarHBondContact O-N 3.47Å; D354-G356 VanDerWaalsContact O-N 3.11Å
357	S	82.4	Confident	71.8	Confident	84 Å²	84	69.7 Å²	69.7	59%	0.587	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-105.4	-1.7	175.2	72.3	0	0	0	0	114.7	D354 D355	D354-S357 WeakPolarHBondContact O-CB 3.27Å; D354-S357 PolarHBondContact O-N 2.93Å; D354-S357 PolarHBondContact O-OG 3.24Å; D355-S357 PolarHBondContact O-N 3.35Å; D355-S357 VanDerWaalsContact O-N 3.09Å
358	T	83.3	Confident	74.7	Confident	76 Å²	76	71.9 Å²	71.9	47%	0.466	39%	0.385	S	S	.	.	S	Bend	trans	-80.6	-18.6	-175.9	61.4	0	0	0	0	114.2	D355 E360	D355-T358 WeakPolarHBondContact O-CB 3.34Å; D355-T358 PolarHBondContact O-N 3.31Å; D355-T358 VanDerWaalsContact O-N 3.08Å; D355-T358 PolarHBondContact O-OG1 3.43Å; T358-E360 VanDerWaalsContact C-N 3.25Å; T358-E360 PolarHBondContact O-N 3.17Å; T358-E360 WeakPolarHBondContact OG1-CB 3.34Å; T358-E360 PolarHBondContact OG1-N 2.84Å
359	G	83.3	Confident	77.7	Confident	25 Å²	25	66.8 Å²	66.8	26%	0.258	36%	0.357	S	S	.	.	S	Bend	trans	77.7	-3.1	-169.4	0	0	0	0	0	115.3	F361 D362 R366	G359-F361 VanDerWaalsContact C-N 3.34Å; G359-F361 PolarHBondContact O-N 2.78Å; G359-D362 WeakPolarHBondContact CA-OD2 3.14Å; G359-R366 PolarHBondContact O-NH2 2.97Å
360	E	88	Confident	80.6	Confident	79 Å²	79	59.8 Å²	59.8	37%	0.369	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-43.3	177.7	-174.7	-178.7	166.5	0	0	111.1	T358 R366 K569	T358-E360 VanDerWaalsContact C-N 3.25Å; T358-E360 PolarHBondContact O-N 3.17Å; T358-E360 WeakPolarHBondContact OG1-CB 3.34Å; T358-E360 PolarHBondContact OG1-N 2.84Å; E360-R366 PolarHBondContact O-NH2 2.78Å; E360-K569 IonicContact OE1-NZ 3.83Å; E360-K569 WeakPolarHBondContact OE2-CE 3.43Å; E360-K569 IonicContact OE2-NZ 3.95Å; E360-K569 PolarHBondContact OE2-NZ 2.61Å
361	F	90.5	Very high	82.9	Confident	1 Å²	1	59.7 Å²	59.7	0%	0.004	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	10.4	-171.3	-55.2	-71.2	0	0	0	114.9	D355 G359 Q392 N395 A396 L399 R401 K569 F571	D355-F361 HydrophobicContact CB-CE2 4.32Å; G359-F361 VanDerWaalsContact C-N 3.34Å; G359-F361 PolarHBondContact O-N 2.78Å; F361-Q392 HydrophobicContact CB-CB 3.88Å; F361-Q392 HydrophobicContact CB-CG 4.24Å; F361-Q392 WeakPolarHBondContact CB-O 3.34Å; F361-N395 HydrophobicContact CB-CB 4.13Å; F361-N395 PolarHBondContact O-ND2 3.03Å; F361-A396 HydrophobicContact CD1-CB 3.64Å; F361-A396 HydrophobicContact CD2-CB 4.24Å; F361-A396 HydrophobicContact CE1-CB 3.61Å; F361-A396 HydrophobicContact CE2-CB 4.23Å; F361-A396 HydrophobicContact CG-CB 3.96Å; F361-A396 HydrophobicContact CZ-CB 3.92Å; F361-L399 HydrophobicContact CD1-CD1 4.08Å; F361-L399 HydrophobicContact CE1-CD1 4.09Å; F361-R401 HydrophobicContact CE1-CG 4.44Å; F361-R401 HydrophobicContact CZ-CG 4.49Å; F361-K569 HydrophobicContact CE2-CD 3.8Å; F361-K569 HydrophobicContact CE2-CG 4.09Å; F361-K569 HydrophobicContact CZ-CD 3.97Å; F361-K569 HydrophobicContact CZ-CG 3.95Å; F361-F571 HydrophobicContact CD2-CE1 4.09Å; F361-F571 AromaticContact CD2-CZ 3.94Å; F361-F571 HydrophobicContact CD2-CZ 3.94Å; F361-F571 HydrophobicContact CE2-CZ 4.2Å
362	D	86.4	Confident	84.7	Confident	54 Å²	54	63.3 Å²	63.3	29%	0.289	33%	0.334	S	S	.	.			trans	-71.2	170.1	176.6	-72.6	-12.6	0	0	0	112.6	G359 R366 F367 Q392	G359-D362 WeakPolarHBondContact CA-OD2 3.14Å; D362-R366 VanDerWaalsContact C-NH2 3.34Å; D362-R366 PolarHBondContact O-NE 3.5Å; D362-R366 PolarHBondContact O-NH2 2.91Å; D362-F367 WeakPolarHBondContact O-CE2 3.49Å; D362-Q392 VanDerWaalsContact OD1-CG 3.27Å; D362-Q392 WeakPolarHBondContact OD1-CG 3.48Å; D362-Q392 PolarHBondContact OD1-NE2 2.76Å
363	G	80.6	Confident	86.1	Confident	18 Å²	18	60.3 Å²	60.3	19%	0.186	32%	0.32	C	S	.	.			trans	83.5	136.9	174.7	0	0	0	0	0	113.9	N395	G363-N395 PolarHBondContact O-ND2 3.27Å
364	D	77.5	Confident	87.2	Confident	44 Å²	44	57.9 Å²	57.9	24%	0.235	30%	0.302	C	S	.	.	S	Bend	trans	-97.8	-2.6	177.3	68	-42.7	0	0	0	112.9	S370 M373 M374	D364-S370 VanDerWaalsContact C-OG 3.27Å; D364-S370 WeakPolarHBondContact O-CB 3.43Å; D364-S370 PolarHBondContact O-OG 3.3Å; D364-M373 HydrophobicContact CB-CE 4.45Å; D364-M374 HydrophobicContact CB-CE 4.09Å; D364-M374 HydrophobicContact CB-CG 4.04Å; D364-M374 HydrophobicContact CB-SD 3.81Å
365	D	83.4	Confident	87.6	Confident	116 Å²	116	61 Å²	61	62%	0.62	32%	0.317	S	S	*	.	S	Bend	trans	-117	-20.2	-177.1	66.4	-23.5	0	0	0	114.7	F367 S370	D365-F367 VanDerWaalsContact C-N 3.35Å; D365-F367 PolarHBondContact O-N 2.79Å; D365-S370 VanDerWaalsContact C-OG 3.27Å; D365-S370 WeakPolarHBondContact CA-OG 3.18Å; D365-S370 PolarHBondContact N-OG 3.27Å
366	R	86.4	Confident	87.9	Confident	135 Å²	135	60.9 Å²	60.9	51%	0.509	32%	0.317	S	S	.	.	S	Bend	trans	-73.5	-11.3	-167.2	-53.3	-163.8	-61.3	171.7	6.6	116.3	G359 E360 D362 S370	G359-R366 PolarHBondContact O-NH2 2.97Å; E360-R366 PolarHBondContact O-NH2 2.78Å; D362-R366 VanDerWaalsContact C-NH2 3.34Å; D362-R366 PolarHBondContact O-NE 3.5Å; D362-R366 PolarHBondContact O-NH2 2.91Å; R366-S370 PolarHBondContact N-OG 3.33Å
367	F	90.4	Very high	88.4	Confident	38 Å²	38	60.6 Å²	60.6	17%	0.167	31%	0.314	C	S	.	.	S	Bend	trans	-122.4	154.9	-169.1	-58.3	-71.4	0	0	0	113.5	D362 D365 H369 S370 N395 L399	D362-F367 WeakPolarHBondContact O-CE2 3.49Å; D365-F367 VanDerWaalsContact C-N 3.35Å; D365-F367 PolarHBondContact O-N 2.79Å; F367-H369 WeakPolarHBondContact CB-CE1 3.31Å; F367-H369 AromaticContact CD2-NE2 3.99Å; F367-H369 AromaticContact CG-CE1 3.67Å; F367-H369 AromaticContact CG-NE2 3.99Å; F367-H369 PolarHBondContact O-N 2.88Å; F367-H369 VanDerWaalsContact O-N 3.11Å; F367-S370 PolarHBondContact N-OG 2.94Å; F367-S370 VanDerWaalsContact N-OG 3.14Å; F367-S370 WeakPolarHBondContact O-CB 3.47Å; F367-S370 PolarHBondContact O-N 3.04Å; F367-S370 PolarHBondContact O-OG 3.39Å; F367-N395 HydrophobicContact CD2-CB 4.35Å; F367-N395 HydrophobicContact CE2-CB 4.04Å; F367-N395 WeakPolarHBondContact CE2-ND2 3.32Å; F367-L399 HydrophobicContact CD1-CD1 4.03Å; F367-L399 HydrophobicContact CD1-CD2 4.21Å; F367-L399 HydrophobicContact CE1-CD1 3.72Å; F367-L399 HydrophobicContact CZ-CD1 4.22Å
368	P	90.9	Very high	88.8	Confident	132 Å²	132	59.2 Å²	59.2	86%	0.857	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-28	179.7	-25.8	35.5	0	0	0	114.7
369	H	92.8	Very high	89	Confident	22 Å²	22	62.8 Å²	62.8	10%	0.102	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-16.8	177	58.2	-96.9	0	0	0	114.2	F367 K371 R372 M373 N395 L398 V423	F367-H369 WeakPolarHBondContact CB-CE1 3.31Å; F367-H369 AromaticContact CD2-NE2 3.99Å; F367-H369 AromaticContact CG-CE1 3.67Å; F367-H369 AromaticContact CG-NE2 3.99Å; F367-H369 PolarHBondContact O-N 2.88Å; F367-H369 VanDerWaalsContact O-N 3.11Å; H369-K371 PolarHBondContact O-N 2.99Å; H369-R372 PolarHBondContact O-N 3.27Å; H369-M373 PolarHBondContact O-N 3.42Å; H369-N395 PolarHBondContact NE2-OD1 3.33Å; H369-L398 HydrophobicContact CB-CD1 4.24Å; H369-L398 WeakPolarHBondContact CD2-CD1 3.16Å; H369-V423 HydrophobicContact CB-CG1 4.4Å
370	S	92.6	Very high	89.2	Confident	5 Å²	5	64.6 Å²	64.6	4%	0.035	32%	0.316	C	S	.	.	H	α-helix	trans	-41.8	-56.9	-172.9	-87.1	0	0	0	0	113.9	D364 D365 R366 F367 R372 M373 M374	D364-S370 VanDerWaalsContact C-OG 3.27Å; D364-S370 WeakPolarHBondContact O-CB 3.43Å; D364-S370 PolarHBondContact O-OG 3.3Å; D365-S370 VanDerWaalsContact C-OG 3.27Å; D365-S370 WeakPolarHBondContact CA-OG 3.18Å; D365-S370 PolarHBondContact N-OG 3.27Å; R366-S370 PolarHBondContact N-OG 3.33Å; F367-S370 PolarHBondContact N-OG 2.94Å; F367-S370 VanDerWaalsContact N-OG 3.14Å; F367-S370 WeakPolarHBondContact O-CB 3.47Å; F367-S370 PolarHBondContact O-N 3.04Å; F367-S370 PolarHBondContact O-OG 3.39Å; S370-R372 PolarHBondContact O-N 3.48Å; S370-M373 WeakPolarHBondContact O-CB 3.34Å; S370-M373 PolarHBondContact O-N 2.92Å; S370-M374 WeakPolarHBondContact O-CG 3.34Å; S370-M374 PolarHBondContact O-N 3.17Å
371	K	92.1	Very high	89.2	Confident	153 Å²	153	61.5 Å²	61.5	67%	0.665	30%	0.301	S	S	*	.	H	α-helix	trans	-58.7	-44.1	-178	179.6	172.1	175.4	174.5	0	112.8	H369 M374 E375	H369-K371 PolarHBondContact O-N 2.99Å; K371-M374 PolarHBondContact O-N 3.1Å; K371-E375 WeakPolarHBondContact CE-OE1 3.39Å; K371-E375 IonicContact NZ-OE1 3.18Å; K371-E375 WeakPolarHBondContact O-CB 3.38Å; K371-E375 VanDerWaalsContact O-CG 3.29Å; K371-E375 WeakPolarHBondContact O-CG 2.97Å; K371-E375 PolarHBondContact O-N 3.42Å
372	R	93	Very high	88.9	Confident	172 Å²	172	61.7 Å²	61.7	65%	0.649	30%	0.304	S	S	*	.	H	α-helix	trans	-70.5	-37.7	179.6	-68.3	-175.8	-179.1	171	2.6	112	H369 S370 A376 V423	H369-R372 PolarHBondContact O-N 3.27Å; S370-R372 PolarHBondContact O-N 3.48Å; R372-A376 WeakPolarHBondContact O-CB 3.39Å; R372-A376 PolarHBondContact O-N 3.22Å; R372-V423 HydrophobicContact CB-CG1 4.12Å
373	M	94.6	Very high	89	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.8	-48.9	173.8	178.4	-172.9	75.9	0	0	111	D364 H369 S370 A376 F377 L391 I394 L398 L419 V423	D364-M373 HydrophobicContact CB-CE 4.45Å; H369-M373 PolarHBondContact O-N 3.42Å; S370-M373 WeakPolarHBondContact O-CB 3.34Å; S370-M373 PolarHBondContact O-N 2.92Å; M373-A376 PolarHBondContact O-N 2.97Å; M373-F377 WeakPolarHBondContact O-CB 3.15Å; M373-F377 PolarHBondContact O-N 3.06Å; M373-L391 HydrophobicContact CE-CD1 3.52Å; M373-L391 HydrophobicContact SD-CD1 4.2Å; M373-I394 HydrophobicContact CG-CG2 4.11Å; M373-I394 HydrophobicContact SD-CG2 3.55Å; M373-I394 VanDerWaalsContact SD-CG2 3.55Å; M373-L398 HydrophobicContact CB-CD1 4.28Å; M373-L398 HydrophobicContact CG-CD1 4.25Å; M373-L398 HydrophobicContact SD-CD1 4.09Å; M373-L419 HydrophobicContact CG-CD2 3.72Å; M373-L419 HydrophobicContact CG-CG 4.31Å; M373-V423 HydrophobicContact CB-CG2 4.32Å
374	M	93.3	Very high	89.1	Confident	27 Å²	27	65.1 Å²	65.1	13%	0.133	31%	0.309	C	S	.	.	H	α-helix	trans	-70.5	-38	179.8	-62	-49.7	-75	0	0	112.9	P319 D364 S370 K371 F377 S378 F386	P319-M374 HydrophobicContact CG-CE 3.4Å; P319-M374 VanDerWaalsContact CG-CE 3.4Å; D364-M374 HydrophobicContact CB-CE 4.09Å; D364-M374 HydrophobicContact CB-CG 4.04Å; D364-M374 HydrophobicContact CB-SD 3.81Å; S370-M374 WeakPolarHBondContact O-CG 3.34Å; S370-M374 PolarHBondContact O-N 3.17Å; K371-M374 PolarHBondContact O-N 3.1Å; M374-F377 HydrophobicContact CE-CD1 4.02Å; M374-F377 HydrophobicContact CE-CE1 4.36Å; M374-F377 PolarHBondContact O-N 2.93Å; M374-F377 HydrophobicContact SD-CD1 4.42Å; M374-S378 PolarHBondContact O-N 2.9Å; M374-F386 HydrophobicContact CE-CE2 3.95Å; M374-F386 HydrophobicContact SD-CE2 3.65Å; M374-F386 HydrophobicContact SD-CZ 3.98Å
375	E	91.9	Very high	89.7	Confident	81 Å²	81	66 Å²	66	38%	0.379	32%	0.319	S	S	.	.	H	α-helix	trans	-60.1	-44.8	172.6	-77.6	173.3	-177.7	0	0	112	K371 K379	K371-E375 WeakPolarHBondContact CE-OE1 3.39Å; K371-E375 IonicContact NZ-OE1 3.18Å; K371-E375 WeakPolarHBondContact O-CB 3.38Å; K371-E375 VanDerWaalsContact O-CG 3.29Å; K371-E375 WeakPolarHBondContact O-CG 2.97Å; K371-E375 PolarHBondContact O-N 3.42Å; E375-K379 WeakPolarHBondContact O-CB 3.17Å; E375-K379 WeakPolarHBondContact O-CG 3.24Å; E375-K379 PolarHBondContact O-N 3.4Å
376	A	91.6	Very high	89.9	Confident	10 Å²	10	62 Å²	62	8%	0.083	30%	0.296	C	S	.	.	H	α-helix	trans	-69.7	-43.2	176.7	0	0	0	0	0	112.4	R372 M373 S378 M380 F381 L419 V422 V423	R372-A376 WeakPolarHBondContact O-CB 3.39Å; R372-A376 PolarHBondContact O-N 3.22Å; M373-A376 PolarHBondContact O-N 2.97Å; A376-S378 PolarHBondContact O-N 3.26Å; A376-M380 HydrophobicContact CB-SD 4.42Å; A376-M380 WeakPolarHBondContact O-CA 3.42Å; A376-M380 VanDerWaalsContact O-CB 3.31Å; A376-M380 WeakPolarHBondContact O-CB 3.41Å; A376-M380 PolarHBondContact O-N 3.03Å; A376-F381 PolarHBondContact O-N 2.83Å; A376-L419 HydrophobicContact CB-CD1 3.69Å; A376-V422 HydrophobicContact CB-CG1 3.97Å; A376-V423 HydrophobicContact CB-CG2 4.17Å
377	F	92.2	Very high	90	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-55.8	-50.5	178	176.1	-109.6	0	0	0	112.2	M373 M374 F381 G382 L383 F386 L415 L419	M373-F377 WeakPolarHBondContact O-CB 3.15Å; M373-F377 PolarHBondContact O-N 3.06Å; M374-F377 HydrophobicContact CE-CD1 4.02Å; M374-F377 HydrophobicContact CE-CE1 4.36Å; M374-F377 PolarHBondContact O-N 2.93Å; M374-F377 HydrophobicContact SD-CD1 4.42Å; F377-F381 WeakPolarHBondContact O-CB 3.5Å; F377-F381 PolarHBondContact O-N 2.88Å; F377-G382 PolarHBondContact O-N 2.84Å; F377-L383 HydrophobicContact CD1-CB 4.28Å; F377-L383 HydrophobicContact CD2-CB 3.72Å; F377-L383 HydrophobicContact CD2-CD1 4.05Å; F377-L383 HydrophobicContact CE1-CB 3.91Å; F377-L383 WeakPolarHBondContact CE1-O 3.37Å; F377-L383 HydrophobicContact CE2-CB 3.29Å; F377-L383 HydrophobicContact CE2-CD1 3.66Å; F377-L383 HydrophobicContact CE2-CG 4.12Å; F377-L383 HydrophobicContact CG-CB 4.2Å; F377-L383 HydrophobicContact CZ-CB 3.4Å; F377-L383 VanDerWaalsContact CZ-CB 3.4Å; F377-L383 HydrophobicContact CZ-CD1 4.5Å; F377-L383 PolarHBondContact O-N 2.94Å; F377-F386 HydrophobicContact CB-CZ 4.41Å; F377-F386 HydrophobicContact CD1-CE2 4.17Å; F377-F386 HydrophobicContact CD1-CZ 4.03Å; F377-F386 HydrophobicContact CD2-CD1 4.25Å; F377-F386 AromaticContact CD2-CE1 3.49Å; F377-F386 HydrophobicContact CD2-CE1 3.49Å; F377-F386 VanDerWaalsContact CD2-CE1 3.49Å; F377-F386 HydrophobicContact CD2-CE2 4.37Å; F377-F386 AromaticContact CD2-CZ 3.56Å; F377-F386 HydrophobicContact CD2-CZ 3.56Å; F377-F386 HydrophobicContact CE1-CD2 4.3Å; F377-F386 AromaticContact CE1-CE2 3.95Å; F377-F386 HydrophobicContact CE1-CE2 3.95Å; F377-F386 HydrophobicContact CE1-CZ 4.1Å; F377-F386 AromaticContact CE2-CD1 3.62Å; F377-F386 HydrophobicContact CE2-CD1 3.62Å; F377-F386 HydrophobicContact CE2-CD2 4.39Å; F377-F386 AromaticContact CE2-CE1 3.34Å; F377-F386 HydrophobicContact CE2-CE1 3.34Å; F377-F386 HydrophobicContact CE2-CE2 4.15Å; F377-F386 HydrophobicContact CE2-CG 4.14Å; F377-F386 AromaticContact CE2-CZ 3.63Å; F377-F386 HydrophobicContact CE2-CZ 3.63Å; F377-F386 HydrophobicContact CG-CE1 4.18Å; F377-F386 HydrophobicContact CG-CE2 4.37Å; F377-F386 AromaticContact CG-CZ 3.76Å; F377-F386 HydrophobicContact CG-CZ 3.76Å; F377-F386 AromaticContact CZ-CD1 3.99Å; F377-F386 HydrophobicContact CZ-CD1 3.99Å; F377-F386 AromaticContact CZ-CD2 4Å; F377-F386 HydrophobicContact CZ-CD2 4Å; F377-F386 AromaticContact CZ-CE1 3.93Å; F377-F386 HydrophobicContact CZ-CE1 3.93Å; F377-F386 AromaticContact CZ-CE2 3.93Å; F377-F386 HydrophobicContact CZ-CE2 3.93Å; F377-F386 HydrophobicContact CZ-CG 4.02Å; F377-F386 AromaticContact CZ-CZ 3.9Å; F377-F386 HydrophobicContact CZ-CZ 3.9Å; F377-L415 HydrophobicContact CD2-CD2 4.34Å; F377-L415 HydrophobicContact CE2-CD2 3.99Å; F377-L419 HydrophobicContact CB-CD1 4.31Å; F377-L419 HydrophobicContact CB-CD2 3.91Å; F377-L419 HydrophobicContact CD2-CD2 4.07Å; F377-L419 HydrophobicContact CG-CD2 4.41Å
378	S	89.7	Confident	89.9	Confident	56 Å²	56	63.9 Å²	63.9	39%	0.392	30%	0.302	S	S	.	.	H	α-helix	trans	-85.1	-31.8	-177.4	-62.9	0	0	0	0	114.3	M374 A376 G382 L383	M374-S378 PolarHBondContact O-N 2.9Å; A376-S378 PolarHBondContact O-N 3.26Å; S378-G382 WeakPolarHBondContact O-CA 3.34Å; S378-L383 WeakPolarHBondContact CA-O 3.38Å; S378-L383 PolarHBondContact OG-O 3.21Å
379	K	88	Confident	89.9	Confident	151 Å²	151	57.9 Å²	57.9	66%	0.657	26%	0.263	S	S	*	.	H	α-helix	trans	-87.9	-39.5	-179.8	-61.7	178	178.9	175.4	0	114.1	E375	E375-K379 WeakPolarHBondContact O-CB 3.17Å; E375-K379 WeakPolarHBondContact O-CG 3.24Å; E375-K379 PolarHBondContact O-N 3.4Å
380	M	86.7	Confident	90	Very high	63 Å²	63	57.2 Å²	57.2	31%	0.31	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-38.1	-173.5	-60.6	-178.7	63.2	0	0	112.8	A376 V422 V450	A376-M380 HydrophobicContact CB-SD 4.42Å; A376-M380 WeakPolarHBondContact O-CA 3.42Å; A376-M380 VanDerWaalsContact O-CB 3.31Å; A376-M380 WeakPolarHBondContact O-CB 3.41Å; A376-M380 PolarHBondContact O-N 3.03Å; M380-V422 HydrophobicContact CE-CG1 3.75Å; M380-V422 HydrophobicContact SD-CG1 3.54Å; M380-V422 VanDerWaalsContact SD-CG1 3.54Å; M380-V450 HydrophobicContact CE-CG2 3.89Å
381	F	88.3	Confident	90	Very high	13 Å²	13	57.2 Å²	57.2	6%	0.057	26%	0.259	C	S	.	.	S	Bend	trans	-92.9	-14.5	174.2	-65.1	-92	0	0	0	113.1	A376 F377 L383 L415 Q418 L419 V422 L448	A376-F381 PolarHBondContact O-N 2.83Å; F377-F381 WeakPolarHBondContact O-CB 3.5Å; F377-F381 PolarHBondContact O-N 2.88Å; F381-L383 VanDerWaalsContact C-N 3.27Å; F381-L383 HydrophobicContact CB-CD1 3.95Å; F381-L383 HydrophobicContact CB-CG 4Å; F381-L383 PolarHBondContact O-N 3.22Å; F381-L415 HydrophobicContact CD1-CD1 3.83Å; F381-L415 HydrophobicContact CD2-CD1 4.42Å; F381-L415 HydrophobicContact CE1-CD1 4.07Å; F381-L415 HydrophobicContact CG-CD1 4.03Å; F381-L415 HydrophobicContact CZ-CD1 4.47Å; F381-Q418 HydrophobicContact CE1-CB 4.02Å; F381-Q418 HydrophobicContact CZ-CB 3.96Å; F381-L419 HydrophobicContact CD2-CD1 3.91Å; F381-L419 HydrophobicContact CE2-CB 4.27Å; F381-L419 HydrophobicContact CE2-CD1 3.69Å; F381-V422 HydrophobicContact CE2-CB 4.49Å; F381-V422 HydrophobicContact CE2-CG2 4.18Å; F381-V422 HydrophobicContact CZ-CG2 4.19Å; F381-L448 HydrophobicContact CD1-CD1 3.88Å; F381-L448 HydrophobicContact CE1-CD1 4.12Å
382	G	85.2	Confident	90.2	Very high	5 Å²	5	50.7 Å²	50.7	5%	0.052	23%	0.231	C	C	.	.			trans	71.4	17.8	-179.1	0	0	0	0	0	113.9	F377 S378 P983 Q984	F377-G382 PolarHBondContact O-N 2.84Å; S378-G382 WeakPolarHBondContact O-CA 3.34Å; G382-P983 CarbonylContact O-C 3.45Å; G382-P983 WeakPolarHBondContact O-CA 3.18Å; G382-Q984 PolarHBondContact O-N 2.79Å
383	L	87.5	Confident	90.3	Very high	35 Å²	35	42.5 Å²	42.5	18%	0.183	20%	0.2	C	C	.	.			trans	-93.2	152.2	-170.7	-65.4	174.3	0	0	0	112.7	F377 S378 F381 L415 Q984	F377-L383 HydrophobicContact CD1-CB 4.28Å; F377-L383 HydrophobicContact CD2-CB 3.72Å; F377-L383 HydrophobicContact CD2-CD1 4.05Å; F377-L383 HydrophobicContact CE1-CB 3.91Å; F377-L383 WeakPolarHBondContact CE1-O 3.37Å; F377-L383 HydrophobicContact CE2-CB 3.29Å; F377-L383 HydrophobicContact CE2-CD1 3.66Å; F377-L383 HydrophobicContact CE2-CG 4.12Å; F377-L383 HydrophobicContact CG-CB 4.2Å; F377-L383 HydrophobicContact CZ-CB 3.4Å; F377-L383 VanDerWaalsContact CZ-CB 3.4Å; F377-L383 HydrophobicContact CZ-CD1 4.5Å; F377-L383 PolarHBondContact O-N 2.94Å; S378-L383 WeakPolarHBondContact CA-O 3.38Å; S378-L383 PolarHBondContact OG-O 3.21Å; F381-L383 VanDerWaalsContact C-N 3.27Å; F381-L383 HydrophobicContact CB-CD1 3.95Å; F381-L383 HydrophobicContact CB-CG 4Å; F381-L383 PolarHBondContact O-N 3.22Å; L383-L415 HydrophobicContact CD1-CD1 3.86Å; L383-L415 HydrophobicContact CD1-CD2 3.71Å; L383-L415 HydrophobicContact CD1-CG 4.44Å; L383-Q984 HydrophobicContact CD2-CG 3.56Å
384	R	84	Confident	90.4	Very high	109 Å²	109	42.5 Å²	42.5	41%	0.411	20%	0.2	S	C	.	.			trans	-117.6	-32	-172.8	-63	-167	168.2	-123.1	-30.3	114.5	P319 Q981 P983	P319-R384 WeakPolarHBondContact CB-O 3.36Å; R384-Q981 PolarHBondContact NE-O 2.87Å; R384-Q981 PolarHBondContact NH1-O 2.89Å; R384-Q981 VanDerWaalsContact NH1-OE1 3.12Å; R384-Q981 VanDerWaalsContact NH2-CA 3.35Å; R384-Q981 PolarHBondContact NH2-O 3.47Å; R384-P983 HydrophobicContact CG-CG 4.46Å
385	S	88.6	Confident	90.5	Very high	64 Å²	64	41.2 Å²	41.2	45%	0.448	19%	0.194	S	C	.	.	S	Bend	trans	-143.4	144.6	179.1	52.6	0	0	0	0	110.6
386	F	89.3	Confident	90.7	Very high	31 Å²	31	37.3 Å²	37.3	14%	0.136	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-83.4	139.5	175.8	-68.4	-82.6	0	0	0	110.3	M374 F377 Q390 L391 I394 L415 L419	M374-F386 HydrophobicContact CE-CE2 3.95Å; M374-F386 HydrophobicContact SD-CE2 3.65Å; M374-F386 HydrophobicContact SD-CZ 3.98Å; F377-F386 HydrophobicContact CB-CZ 4.41Å; F377-F386 HydrophobicContact CD1-CE2 4.17Å; F377-F386 HydrophobicContact CD1-CZ 4.03Å; F377-F386 HydrophobicContact CD2-CD1 4.25Å; F377-F386 AromaticContact CD2-CE1 3.49Å; F377-F386 HydrophobicContact CD2-CE1 3.49Å; F377-F386 VanDerWaalsContact CD2-CE1 3.49Å; F377-F386 HydrophobicContact CD2-CE2 4.37Å; F377-F386 AromaticContact CD2-CZ 3.56Å; F377-F386 HydrophobicContact CD2-CZ 3.56Å; F377-F386 HydrophobicContact CE1-CD2 4.3Å; F377-F386 AromaticContact CE1-CE2 3.95Å; F377-F386 HydrophobicContact CE1-CE2 3.95Å; F377-F386 HydrophobicContact CE1-CZ 4.1Å; F377-F386 AromaticContact CE2-CD1 3.62Å; F377-F386 HydrophobicContact CE2-CD1 3.62Å; F377-F386 HydrophobicContact CE2-CD2 4.39Å; F377-F386 AromaticContact CE2-CE1 3.34Å; F377-F386 HydrophobicContact CE2-CE1 3.34Å; F377-F386 HydrophobicContact CE2-CE2 4.15Å; F377-F386 HydrophobicContact CE2-CG 4.14Å; F377-F386 AromaticContact CE2-CZ 3.63Å; F377-F386 HydrophobicContact CE2-CZ 3.63Å; F377-F386 HydrophobicContact CG-CE1 4.18Å; F377-F386 HydrophobicContact CG-CE2 4.37Å; F377-F386 AromaticContact CG-CZ 3.76Å; F377-F386 HydrophobicContact CG-CZ 3.76Å; F377-F386 AromaticContact CZ-CD1 3.99Å; F377-F386 HydrophobicContact CZ-CD1 3.99Å; F377-F386 AromaticContact CZ-CD2 4Å; F377-F386 HydrophobicContact CZ-CD2 4Å; F377-F386 AromaticContact CZ-CE1 3.93Å; F377-F386 HydrophobicContact CZ-CE1 3.93Å; F377-F386 AromaticContact CZ-CE2 3.93Å; F377-F386 HydrophobicContact CZ-CE2 3.93Å; F377-F386 HydrophobicContact CZ-CG 4.02Å; F377-F386 AromaticContact CZ-CZ 3.9Å; F377-F386 HydrophobicContact CZ-CZ 3.9Å; F386-Q390 HydrophobicContact CB-CB 4.29Å; F386-Q390 HydrophobicContact CD1-CB 4.08Å; F386-L391 HydrophobicContact CB-CB 4.08Å; F386-L391 HydrophobicContact CD1-CB 4.32Å; F386-L391 HydrophobicContact CD2-CB 3.99Å; F386-L391 HydrophobicContact CD2-CD1 4.15Å; F386-L391 HydrophobicContact CD2-CD2 4.47Å; F386-L391 HydrophobicContact CD2-CG 4.43Å; F386-L391 HydrophobicContact CE2-CD1 3.88Å; F386-L391 HydrophobicContact CG-CB 3.88Å; F386-L391 HydrophobicContact CZ-CD1 4.21Å; F386-I394 HydrophobicContact CD1-CD1 4.19Å; F386-I394 HydrophobicContact CE1-CD1 3.77Å; F386-L415 HydrophobicContact CD1-CD2 4.29Å; F386-L415 HydrophobicContact CE1-CD2 4.35Å; F386-L419 HydrophobicContact CE1-CD2 4.09Å; F386-L419 HydrophobicContact CZ-CD2 4.23Å
387	R	88.2	Confident	90.9	Very high	103 Å²	103	36.9 Å²	36.9	39%	0.389	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-73.6	160.6	167.5	-56.6	-178.9	179.1	173.8	1.4	109.2	N389 Q390 G410 E963	R387-N389 PolarHBondContact O-N 3.32Å; R387-Q390 HydrophobicContact CB-CG 4.18Å; R387-Q390 WeakPolarHBondContact O-CB 3.43Å; R387-Q390 PolarHBondContact O-N 2.9Å; R387-Q390 VanDerWaalsContact O-N 3.08Å; R387-G410 PolarHBondContact NH1-O 3.31Å; R387-E963 IonicContact NH2-OE1 3.4Å; R387-E963 PolarHBondContact NH2-OE1 2.91Å; R387-E963 IonicContact NH2-OE2 2.87Å; R387-E963 PolarHBondContact NH2-OE2 2.82Å; R387-E963 VanDerWaalsContact NH2-OE2 3.15Å
388	R	87.5	Confident	91.1	Very high	110 Å²	110	37.7 Å²	37.7	42%	0.415	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	134.2	-177	175.8	172.6	175.9	134.5	7	112	D354 Q390	D354-R388 IonicContact OD2-CZ 2.67Å; D354-R388 IonicContact OD2-NH2 3.5Å; D354-R388 PolarHBondContact OD2-NH2 2.87Å; R388-Q390 PolarHBondContact O-N 2.84Å; R388-Q390 VanDerWaalsContact O-N 3.07Å
389	N	91.6	Very high	91.3	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.027	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	-0.2	178.1	-59.2	3.4	0	0	0	115.8	D354 R387 A393 M407 F571 I572	D354-N389 PolarHBondContact OD1-ND2 3Å; D354-N389 PolarHBondContact OD2-ND2 3.04Å; R387-N389 PolarHBondContact O-N 3.32Å; N389-A393 VanDerWaalsContact O-CB 3.27Å; N389-A393 WeakPolarHBondContact O-CB 3.14Å; N389-A393 PolarHBondContact O-N 3.18Å; N389-M407 HydrophobicContact CB-CE 4.08Å; N389-F571 HydrophobicContact CB-CB 4.26Å; N389-I572 PolarHBondContact ND2-N 3.48Å; N389-I572 PolarHBondContact ND2-O 2.9Å
390	Q	93.5	Very high	91.6	Very high	9 Å²	9	35.1 Å²	35.1	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-68.3	-51.7	175.2	-69.3	-172	-50.6	0	0	111.9	F386 R387 R388 Q392 A393 I394 M407 G412	F386-Q390 HydrophobicContact CB-CB 4.29Å; F386-Q390 HydrophobicContact CD1-CB 4.08Å; R387-Q390 HydrophobicContact CB-CG 4.18Å; R387-Q390 WeakPolarHBondContact O-CB 3.43Å; R387-Q390 PolarHBondContact O-N 2.9Å; R387-Q390 VanDerWaalsContact O-N 3.08Å; R388-Q390 PolarHBondContact O-N 2.84Å; R388-Q390 VanDerWaalsContact O-N 3.07Å; Q390-Q392 VanDerWaalsContact C-N 3.26Å; Q390-Q392 PolarHBondContact O-N 3.4Å; Q390-A393 PolarHBondContact O-N 3.37Å; Q390-I394 HydrophobicContact CB-CD1 4.43Å; Q390-I394 WeakPolarHBondContact O-CB 3.38Å; Q390-I394 WeakPolarHBondContact O-CD1 3.35Å; Q390-I394 WeakPolarHBondContact O-CG1 3.35Å; Q390-I394 PolarHBondContact O-N 3.22Å; Q390-M407 HydrophobicContact CG-CE 4.14Å; Q390-G412 PolarHBondContact NE2-O 2.95Å
391	L	94	Very high	92	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-56.6	-44.2	179.4	175.1	60	0	0	0	110.8	M373 F386 I394 N395	M373-L391 HydrophobicContact CE-CD1 3.52Å; M373-L391 HydrophobicContact SD-CD1 4.2Å; F386-L391 HydrophobicContact CB-CB 4.08Å; F386-L391 HydrophobicContact CD1-CB 4.32Å; F386-L391 HydrophobicContact CD2-CB 3.99Å; F386-L391 HydrophobicContact CD2-CD1 4.15Å; F386-L391 HydrophobicContact CD2-CD2 4.47Å; F386-L391 HydrophobicContact CD2-CG 4.43Å; F386-L391 HydrophobicContact CE2-CD1 3.88Å; F386-L391 HydrophobicContact CG-CB 3.88Å; F386-L391 HydrophobicContact CZ-CD1 4.21Å; L391-I394 PolarHBondContact O-N 2.9Å; L391-N395 WeakPolarHBondContact O-CB 3.41Å; L391-N395 PolarHBondContact O-N 3.43Å
392	Q	95	Very high	92.4	Very high	16 Å²	16	37.7 Å²	37.7	8%	0.075	17%	0.172	C	C	.	.	H	α-helix	trans	-65.4	-45.5	-179.4	-63.6	82.8	-3.4	0	0	111.9	F361 D362 Q390 I394 N395 A396 F571	F361-Q392 HydrophobicContact CB-CB 3.88Å; F361-Q392 HydrophobicContact CB-CG 4.24Å; F361-Q392 WeakPolarHBondContact CB-O 3.34Å; D362-Q392 VanDerWaalsContact OD1-CG 3.27Å; D362-Q392 WeakPolarHBondContact OD1-CG 3.48Å; D362-Q392 PolarHBondContact OD1-NE2 2.76Å; Q390-Q392 VanDerWaalsContact C-N 3.26Å; Q390-Q392 PolarHBondContact O-N 3.4Å; Q392-I394 VanDerWaalsContact C-N 3.32Å; Q392-I394 PolarHBondContact O-N 3.03Å; Q392-N395 PolarHBondContact O-N 2.96Å; Q392-A396 WeakPolarHBondContact O-CB 3.37Å; Q392-A396 PolarHBondContact O-N 3.2Å; Q392-F571 HydrophobicContact CB-CD1 3.96Å; Q392-F571 HydrophobicContact CB-CE1 3.71Å
393	A	95.3	Very high	93	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.4	-35.5	175.4	0	0	0	0	0	112.8	N389 Q390 A397 V405 C416 F571	N389-A393 VanDerWaalsContact O-CB 3.27Å; N389-A393 WeakPolarHBondContact O-CB 3.14Å; N389-A393 PolarHBondContact O-N 3.18Å; Q390-A393 PolarHBondContact O-N 3.37Å; A393-A397 VanDerWaalsContact O-CB 3.27Å; A393-A397 WeakPolarHBondContact O-CB 3.4Å; A393-A397 PolarHBondContact O-N 3.41Å; A393-V405 HydrophobicContact CB-CG2 4.2Å; A393-C416 HydrophobicContact CB-CB 4.33Å; A393-F571 HydrophobicContact CB-CB 4.16Å; A393-F571 HydrophobicContact CB-CD1 4.23Å; A393-F571 HydrophobicContact CB-CD2 3.75Å; A393-F571 HydrophobicContact CB-CE2 4.27Å; A393-F571 HydrophobicContact CB-CG 3.73Å
394	I	96.5	Very high	93.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-72	-43.8	178.1	-70.1	164.6	0	0	0	110.9	M373 F386 Q390 L391 Q392 A397 L398 L415 L419 P420	M373-I394 HydrophobicContact CG-CG2 4.11Å; M373-I394 HydrophobicContact SD-CG2 3.55Å; M373-I394 VanDerWaalsContact SD-CG2 3.55Å; F386-I394 HydrophobicContact CD1-CD1 4.19Å; F386-I394 HydrophobicContact CE1-CD1 3.77Å; Q390-I394 HydrophobicContact CB-CD1 4.43Å; Q390-I394 WeakPolarHBondContact O-CB 3.38Å; Q390-I394 WeakPolarHBondContact O-CD1 3.35Å; Q390-I394 WeakPolarHBondContact O-CG1 3.35Å; Q390-I394 PolarHBondContact O-N 3.22Å; L391-I394 PolarHBondContact O-N 2.9Å; Q392-I394 VanDerWaalsContact C-N 3.32Å; Q392-I394 PolarHBondContact O-N 3.03Å; I394-A397 PolarHBondContact O-N 2.92Å; I394-L398 HydrophobicContact CG2-CD1 3.95Å; I394-L398 WeakPolarHBondContact O-CB 3.43Å; I394-L398 WeakPolarHBondContact O-CG 3.26Å; I394-L398 PolarHBondContact O-N 3.44Å; I394-L415 HydrophobicContact CD1-CD2 4.33Å; I394-L415 HydrophobicContact CD1-CG 4.14Å; I394-L419 HydrophobicContact CD1-CB 4.39Å; I394-L419 HydrophobicContact CD1-CD2 4.14Å; I394-L419 HydrophobicContact CG2-CD2 4.18Å; I394-P420 HydrophobicContact CB-CG 4.49Å; I394-P420 HydrophobicContact CG1-CG 4.44Å; I394-P420 HydrophobicContact CG2-CG 4.09Å
395	N	96.2	Very high	93.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.5	-45.2	174.3	-82.8	-25.4	0	0	0	111.2	F361 G363 F367 H369 L391 Q392 A397 L398 L399	F361-N395 HydrophobicContact CB-CB 4.13Å; F361-N395 PolarHBondContact O-ND2 3.03Å; G363-N395 PolarHBondContact O-ND2 3.27Å; F367-N395 HydrophobicContact CD2-CB 4.35Å; F367-N395 HydrophobicContact CE2-CB 4.04Å; F367-N395 WeakPolarHBondContact CE2-ND2 3.32Å; H369-N395 PolarHBondContact NE2-OD1 3.33Å; L391-N395 WeakPolarHBondContact O-CB 3.41Å; L391-N395 PolarHBondContact O-N 3.43Å; Q392-N395 PolarHBondContact O-N 2.96Å; N395-A397 VanDerWaalsContact C-N 3.33Å; N395-A397 PolarHBondContact O-N 3.5Å; N395-L398 PolarHBondContact O-N 3.21Å; N395-L399 WeakPolarHBondContact O-CB 3.32Å; N395-L399 VanDerWaalsContact O-CG 3.24Å; N395-L399 WeakPolarHBondContact O-CG 3.46Å; N395-L399 PolarHBondContact O-N 2.81Å
396	A	95.6	Very high	94.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.6	-40	174.8	0	0	0	0	0	112.5	F361 Q392 L399 R401 F571	F361-A396 HydrophobicContact CD1-CB 3.64Å; F361-A396 HydrophobicContact CD2-CB 4.24Å; F361-A396 HydrophobicContact CE1-CB 3.61Å; F361-A396 HydrophobicContact CE2-CB 4.23Å; F361-A396 HydrophobicContact CG-CB 3.96Å; F361-A396 HydrophobicContact CZ-CB 3.92Å; Q392-A396 WeakPolarHBondContact O-CB 3.37Å; Q392-A396 PolarHBondContact O-N 3.2Å; A396-L399 CarbonylContact O-C 3.51Å; A396-L399 PolarHBondContact O-N 2.87Å; A396-R401 HydrophobicContact CB-CB 4.45Å; A396-R401 VanDerWaalsContact O-CB 3.31Å; A396-R401 WeakPolarHBondContact O-CB 3.47Å; A396-R401 WeakPolarHBondContact O-CG 3.5Å; A396-R401 PolarHBondContact O-N 3.12Å; A396-R401 VanDerWaalsContact O-N 3.07Å; A396-F571 HydrophobicContact CB-CE2 3.78Å; A396-F571 HydrophobicContact CB-CZ 3.5Å; A396-F571 VanDerWaalsContact CB-CZ 3.5Å
397	A	96.1	Very high	94	Very high	0 Å²	0	26 Å²	26	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-48.8	173.6	0	0	0	0	0	111.6	A393 I394 N395 L399 D400 P420 R509 M545	A393-A397 VanDerWaalsContact O-CB 3.27Å; A393-A397 WeakPolarHBondContact O-CB 3.4Å; A393-A397 PolarHBondContact O-N 3.41Å; I394-A397 PolarHBondContact O-N 2.92Å; N395-A397 VanDerWaalsContact C-N 3.33Å; N395-A397 PolarHBondContact O-N 3.5Å; A397-L399 PolarHBondContact O-N 2.7Å; A397-D400 WeakPolarHBondContact O-CA 3.42Å; A397-D400 PolarHBondContact O-N 3.2Å; A397-P420 HydrophobicContact CB-CB 4.36Å; A397-P420 HydrophobicContact CB-CG 3.91Å; A397-R509 PolarHBondContact O-NH1 2.77Å; A397-R509 PolarHBondContact O-NH2 3.44Å; A397-M545 HydrophobicContact CB-CE 3.79Å
398	L	96	Very high	93.8	Very high	17 Å²	17	21.5 Å²	21.5	9%	0.089	10%	0.097	C	C	.	.	H	α-helix	trans	-68.6	-13.3	179.6	-72.9	171.4	0	0	0	114.3	H369 M373 I394 N395 D400 P420 V423 Q424	H369-L398 HydrophobicContact CB-CD1 4.24Å; H369-L398 WeakPolarHBondContact CD2-CD1 3.16Å; M373-L398 HydrophobicContact CB-CD1 4.28Å; M373-L398 HydrophobicContact CG-CD1 4.25Å; M373-L398 HydrophobicContact SD-CD1 4.09Å; I394-L398 HydrophobicContact CG2-CD1 3.95Å; I394-L398 WeakPolarHBondContact O-CB 3.43Å; I394-L398 WeakPolarHBondContact O-CG 3.26Å; I394-L398 PolarHBondContact O-N 3.44Å; N395-L398 PolarHBondContact O-N 3.21Å; L398-D400 VanDerWaalsContact C-N 3.3Å; L398-P420 HydrophobicContact CD2-CB 3.98Å; L398-P420 HydrophobicContact CG-CB 4.15Å; L398-P420 HydrophobicContact CG-CG 4.26Å; L398-V423 HydrophobicContact CD1-CG1 4.24Å; L398-V423 HydrophobicContact CD2-CB 4.11Å; L398-V423 HydrophobicContact CD2-CG1 3.92Å; L398-Q424 HydrophobicContact CD2-CG 3.5Å
399	L	94.6	Very high	93.3	Very high	65 Å²	65	17.3 Å²	17.3	34%	0.34	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	19.3	167.6	-63.5	169	0	0	0	112.3	F361 F367 N395 A396 A397 R401	F361-L399 HydrophobicContact CD1-CD1 4.08Å; F361-L399 HydrophobicContact CE1-CD1 4.09Å; F367-L399 HydrophobicContact CD1-CD1 4.03Å; F367-L399 HydrophobicContact CD1-CD2 4.21Å; F367-L399 HydrophobicContact CE1-CD1 3.72Å; F367-L399 HydrophobicContact CZ-CD1 4.22Å; N395-L399 WeakPolarHBondContact O-CB 3.32Å; N395-L399 VanDerWaalsContact O-CG 3.24Å; N395-L399 WeakPolarHBondContact O-CG 3.46Å; N395-L399 PolarHBondContact O-N 2.81Å; A396-L399 CarbonylContact O-C 3.51Å; A396-L399 PolarHBondContact O-N 2.87Å; A397-L399 PolarHBondContact O-N 2.7Å; L399-R401 VanDerWaalsContact C-N 3.26Å; L399-R401 PolarHBondContact O-N 2.84Å
400	D	94.2	Very high	92.4	Very high	89 Å²	89	19.1 Å²	19.1	48%	0.476	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	41.2	177.7	-61	-39.2	0	0	0	114.5	A397 L398 Q424 R509 P543	A397-D400 WeakPolarHBondContact O-CA 3.42Å; A397-D400 PolarHBondContact O-N 3.2Å; L398-D400 VanDerWaalsContact C-N 3.3Å; D400-Q424 PolarHBondContact OD1-NE2 3.24Å; D400-R509 IonicContact OD1-NH2 2.86Å; D400-R509 PolarHBondContact OD1-NH2 2.72Å; D400-P543 HydrophobicContact CB-CG 4.15Å
401	R	95.3	Very high	91.6	Very high	110 Å²	110	19 Å²	19	42%	0.415	11%	0.106	S	C	.	.			trans	-84.1	151.5	168.5	-53.5	-51.6	-160.3	-173.7	5.2	111.8	F361 A396 L399 R509 K569	F361-R401 HydrophobicContact CE1-CG 4.44Å; F361-R401 HydrophobicContact CZ-CG 4.49Å; A396-R401 HydrophobicContact CB-CB 4.45Å; A396-R401 VanDerWaalsContact O-CB 3.31Å; A396-R401 WeakPolarHBondContact O-CB 3.47Å; A396-R401 WeakPolarHBondContact O-CG 3.5Å; A396-R401 PolarHBondContact O-N 3.12Å; A396-R401 VanDerWaalsContact O-N 3.07Å; L399-R401 VanDerWaalsContact C-N 3.26Å; L399-R401 PolarHBondContact O-N 2.84Å; R401-R509 PolarHBondContact O-NH1 2.82Å; R401-K569 HydrophobicContact CB-CG 4.29Å; R401-K569 HydrophobicContact CG-CG 4.44Å
402	D	96.7	Very high	91.1	Very high	19 Å²	19	19.9 Å²	19.9	10%	0.102	12%	0.116	C	C	.	.			trans	-70.2	133.1	159.7	-95.7	25.3	0	0	0	109.2	R536 P543 M544 M565 T568 K569	D402-R536 IonicContact OD1-CZ 2.74Å; D402-R536 IonicContact OD1-NH2 2.65Å; D402-R536 PolarHBondContact OD1-NH2 3.49Å; D402-R536 IonicContact OD2-CZ 2.69Å; D402-R536 IonicContact OD2-NH2 3.87Å; D402-R536 PolarHBondContact OD2-NH2 2.75Å; D402-P543 WeakPolarHBondContact OD1-CA 3.01Å; D402-M544 CarbonylContact C-O 3.29Å; D402-M544 VanDerWaalsContact CA-O 3.3Å; D402-M544 WeakPolarHBondContact CA-O 3.3Å; D402-M544 PolarHBondContact OD1-N 3.22Å; D402-M565 HydrophobicContact CB-CE 3.99Å; D402-T568 HydrophobicContact CB-CG2 4.24Å; D402-K569 PolarHBondContact O-N 3.28Å
403	C	96.6	Very high	90.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138	-175	-64.6	0	0	0	0	112.2	V405 M544 M545 A546 K569 F571	C403-V405 HydrophobicContact CB-CG2 4.35Å; C403-M544 PolarHBondContact N-O 2.98Å; C403-M545 HydrophobicContact CB-CB 4.42Å; C403-M545 HydrophobicContact CB-CE 3.84Å; C403-M545 HydrophobicContact CB-CG 4.11Å; C403-M545 CarbonylContact O-C 3.24Å; C403-M545 VanDerWaalsContact O-CA 3.3Å; C403-M545 WeakPolarHBondContact O-CA 3.43Å; C403-A546 PolarHBondContact O-N 2.74Å; C403-K569 CarbonylContact C-O 3.52Å; C403-K569 WeakPolarHBondContact CA-O 3.39Å; C403-F571 HydrophobicContact CB-CD2 4.4Å; C403-F571 HydrophobicContact CB-CE2 4.26Å
404	F	95.9	Very high	90.8	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	107.5	169.8	-156.5	-68.1	0	0	0	109.1	I406 A546 T548 R556 I559 L560 T568 K569 W570 F571	F404-I406 HydrophobicContact CD1-CD1 4.01Å; F404-I406 HydrophobicContact CD1-CG1 3.66Å; F404-I406 HydrophobicContact CE1-CD1 3.79Å; F404-I406 HydrophobicContact CE1-CG1 3.67Å; F404-A546 HydrophobicContact CD2-CB 4.01Å; F404-A546 HydrophobicContact CE2-CB 4.2Å; F404-A546 HydrophobicContact CG-CB 4.49Å; F404-T548 HydrophobicContact CE1-CG2 3.86Å; F404-T548 HydrophobicContact CZ-CG2 4.39Å; F404-R556 HydrophobicContact CE1-CG 4.33Å; F404-R556 HydrophobicContact CZ-CB 4.45Å; F404-R556 HydrophobicContact CZ-CG 4.34Å; F404-I559 HydrophobicContact CE2-CB 4.01Å; F404-I559 HydrophobicContact CE2-CD1 4.42Å; F404-I559 HydrophobicContact CE2-CG2 3.65Å; F404-I559 HydrophobicContact CZ-CB 4.27Å; F404-I559 HydrophobicContact CZ-CD1 3.85Å; F404-I559 HydrophobicContact CZ-CG2 4.13Å; F404-L560 HydrophobicContact CD2-CD2 3.72Å; F404-L560 HydrophobicContact CD2-CG 4.42Å; F404-L560 HydrophobicContact CE2-CD2 4.1Å; F404-L560 HydrophobicContact CE2-CG 4.35Å; F404-T568 HydrophobicContact CB-CG2 3.77Å; F404-K569 PolarHBondContact N-O 2.94Å; F404-W570 HydrophobicContact CB-CD2 4.08Å; F404-W570 HydrophobicContact CB-CE3 3.81Å; F404-W570 HydrophobicContact CB-CH2 4.36Å; F404-W570 HydrophobicContact CB-CZ3 3.96Å; F404-W570 AromaticContact CD1-CE3 3.85Å; F404-W570 HydrophobicContact CD1-CE3 3.85Å; F404-W570 HydrophobicContact CD1-CH2 4.21Å; F404-W570 AromaticContact CD1-CZ3 3.45Å; F404-W570 HydrophobicContact CD1-CZ3 3.45Å; F404-W570 VanDerWaalsContact CD1-CZ3 3.45Å; F404-W570 AromaticContact CD2-CH2 3.95Å; F404-W570 HydrophobicContact CD2-CH2 3.95Å; F404-W570 HydrophobicContact CD2-CZ3 4.02Å; F404-W570 AromaticContact CE1-CZ3 3.88Å; F404-W570 HydrophobicContact CE1-CZ3 3.88Å; F404-W570 HydrophobicContact CE2-CH2 4.27Å; F404-W570 HydrophobicContact CE2-CZ3 4.38Å; F404-W570 AromaticContact CG-CE3 3.89Å; F404-W570 HydrophobicContact CG-CE3 3.89Å; F404-W570 AromaticContact CG-CH2 3.92Å; F404-W570 HydrophobicContact CG-CH2 3.92Å; F404-W570 AromaticContact CG-CZ3 3.53Å; F404-W570 HydrophobicContact CG-CZ3 3.53Å; F404-W570 HydrophobicContact CZ-CZ3 4.32Å; F404-F571 PolarHBondContact O-N 3.43Å
405	V	95.1	Very high	90.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	111.7	-172.3	-174.7	0	0	0	0	110.6	A393 C403 M407 M545 A546 M547 T548 F571	A393-V405 HydrophobicContact CB-CG2 4.2Å; C403-V405 HydrophobicContact CB-CG2 4.35Å; V405-M407 HydrophobicContact CG1-CE 3.88Å; V405-M407 HydrophobicContact CG1-CG 3.93Å; V405-M407 HydrophobicContact CG1-SD 3.76Å; V405-M545 HydrophobicContact CG2-CE 4.34Å; V405-M545 HydrophobicContact CG2-CG 4.15Å; V405-M545 HydrophobicContact CG2-SD 4.13Å; V405-A546 PolarHBondContact N-O 3.37Å; V405-M547 HydrophobicContact CB-CE 3.48Å; V405-M547 VanDerWaalsContact CB-CE 3.48Å; V405-M547 HydrophobicContact CB-CG 4.42Å; V405-M547 HydrophobicContact CG1-CE 3.48Å; V405-M547 VanDerWaalsContact CG1-CE 3.48Å; V405-M547 HydrophobicContact CG2-CE 3.9Å; V405-M547 WeakPolarHBondContact O-CA 3.47Å; V405-T548 PolarHBondContact O-N 2.9Å; V405-T548 VanDerWaalsContact O-N 3.14Å; V405-F571 HydrophobicContact CG1-CB 4.49Å; V405-F571 HydrophobicContact CG2-CB 4.36Å; V405-F571 HydrophobicContact CG2-CD2 4.25Å
406	I	92.2	Very high	90.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	106.5	176.9	-54.2	-171.9	0	0	0	107.9	F404 T548 R556 W570 F571 I572 Q573 F575	F404-I406 HydrophobicContact CD1-CD1 4.01Å; F404-I406 HydrophobicContact CD1-CG1 3.66Å; F404-I406 HydrophobicContact CE1-CD1 3.79Å; F404-I406 HydrophobicContact CE1-CG1 3.67Å; I406-T548 HydrophobicContact CG1-CG2 4.27Å; I406-R556 HydrophobicContact CD1-CG 3.97Å; I406-W570 HydrophobicContact CD1-CE3 4.48Å; I406-W570 HydrophobicContact CD1-CZ3 4.26Å; I406-F571 PolarHBondContact N-O 2.97Å; I406-I572 HydrophobicContact CB-CG1 4.37Å; I406-I572 HydrophobicContact CB-CG2 4.34Å; I406-I572 HydrophobicContact CD1-CD1 4.43Å; I406-I572 HydrophobicContact CD1-CG1 4.28Å; I406-I572 HydrophobicContact CG1-CG1 4.45Å; I406-I572 HydrophobicContact CG2-CG2 4.46Å; I406-Q573 PolarHBondContact O-N 3.13Å; I406-F575 HydrophobicContact CG2-CE1 3.71Å; I406-F575 HydrophobicContact CG2-CE2 4.1Å; I406-F575 HydrophobicContact CG2-CZ 3.3Å
407	M	89.1	Confident	90.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.134	C	C	.	.			trans	-141.4	142.7	176.2	-65.4	170.9	172.9	0	0	109.8	N389 Q390 V405 K413 T548 A549 Q573	N389-M407 HydrophobicContact CB-CE 4.08Å; Q390-M407 HydrophobicContact CG-CE 4.14Å; V405-M407 HydrophobicContact CG1-CE 3.88Å; V405-M407 HydrophobicContact CG1-CG 3.93Å; V405-M407 HydrophobicContact CG1-SD 3.76Å; M407-K413 HydrophobicContact CB-CD 4.33Å; M407-K413 HydrophobicContact CB-CG 3.73Å; M407-K413 HydrophobicContact CG-CG 4.42Å; M407-K413 PolarHBondContact O-NZ 3.43Å; M407-K413 HydrophobicContact SD-CG 4.17Å; M407-T548 PolarHBondContact N-O 2.9Å; M407-A549 WeakPolarHBondContact O-CA 3.49Å; M407-Q573 HydrophobicContact CB-CB 4.42Å; M407-Q573 HydrophobicContact CG-CB 4Å
408	P	83.1	Confident	90.7	Very high	7 Å²	7	23.2 Å²	23.2	5%	0.045	14%	0.135	C	C	.	.			trans	-59.9	166.2	179.4	25.9	-36.3	0	0	0	112.9	G410 G411 K413 S574 Y692	P408-G410 PolarHBondContact O-N 3.38Å; P408-G411 PolarHBondContact O-N 3.5Å; P408-K413 PolarHBondContact O-NZ 2.85Å; P408-S574 WeakPolarHBondContact CD-O 3.37Å; P408-S574 WeakPolarHBondContact CG-O 3.4Å; P408-Y692 WeakPolarHBondContact CB-OH 3.3Å
409	T	76.3	Confident	90.7	Very high	22 Å²	22	22.4 Å²	22.4	14%	0.135	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	119.6	170.2	-55.9	0	0	0	0	109.4	R577	T409-R577 PolarHBondContact O-NH1 3.11Å
410	G	73.1	Confident	90.8	Very high	43 Å²	43	19.3 Å²	19.3	44%	0.443	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	-12.6	-170.3	0	0	0	0	0	115.3	R387 P408 G412	R387-G410 PolarHBondContact NH1-O 3.31Å; P408-G410 PolarHBondContact O-N 3.38Å; G410-G412 PolarHBondContact O-N 2.85Å; G410-G412 VanDerWaalsContact O-N 3.1Å
411	G	76.8	Confident	90.9	Very high	8 Å²	8	15 Å²	15	8%	0.082	9%	0.092	C	C	.	.	S	Bend	trans	-64.8	-14.9	-176.5	0	0	0	0	0	115.7	P408	P408-G411 PolarHBondContact O-N 3.5Å
412	G	83.6	Confident	90.8	Very high	22 Å²	22	11 Å²	11	23%	0.227	8%	0.079	C	C	.	.			trans	100.5	26.2	176.6	0	0	0	0	0	115.4	Q390 G410 S414 L415	Q390-G412 PolarHBondContact NE2-O 2.95Å; G410-G412 PolarHBondContact O-N 2.85Å; G410-G412 VanDerWaalsContact O-N 3.1Å; G412-S414 VanDerWaalsContact C-N 3.32Å; G412-S414 PolarHBondContact O-N 3.26Å; G412-L415 PolarHBondContact O-N 3.26Å
413	K	91.5	Very high	90.7	Very high	22 Å²	22	11.2 Å²	11.2	10%	0.096	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-49.6	177.6	-72.8	-166.3	-72.5	-74.1	0	113.4	M407 P408 L415 C416 M547	M407-K413 HydrophobicContact CB-CD 4.33Å; M407-K413 HydrophobicContact CB-CG 3.73Å; M407-K413 HydrophobicContact CG-CG 4.42Å; M407-K413 PolarHBondContact O-NZ 3.43Å; M407-K413 HydrophobicContact SD-CG 4.17Å; P408-K413 PolarHBondContact O-NZ 2.85Å; K413-L415 VanDerWaalsContact C-N 3.25Å; K413-L415 PolarHBondContact O-N 3.19Å; K413-L415 VanDerWaalsContact O-N 3.1Å; K413-C416 VanDerWaalsContact O-CB 3.23Å; K413-C416 WeakPolarHBondContact O-CB 3.46Å; K413-C416 PolarHBondContact O-N 2.85Å; K413-C416 PolarHBondContact O-SG 2.99Å; K413-C416 VanDerWaalsContact O-SG 3.4Å; K413-M547 HydrophobicContact CB-CE 3.73Å; K413-M547 HydrophobicContact CB-SD 4.32Å; K413-M547 HydrophobicContact CD-CB 4.32Å; K413-M547 HydrophobicContact CD-CE 4.39Å; K413-M547 HydrophobicContact CG-CE 4.04Å; K413-M547 WeakPolarHBondContact O-CE 3.12Å
414	S	92.3	Very high	90.5	Very high	39 Å²	39	12.7 Å²	12.7	27%	0.273	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-39.4	-173.6	-48.4	0	0	0	0	114.1	G412 C416 Y417 Q418 Q441	G412-S414 VanDerWaalsContact C-N 3.32Å; G412-S414 PolarHBondContact O-N 3.26Å; S414-C416 PolarHBondContact O-N 2.81Å; S414-Y417 WeakPolarHBondContact O-CD1 3.41Å; S414-Y417 PolarHBondContact O-N 3.45Å; S414-Q418 VanDerWaalsContact O-CB 3.25Å; S414-Q418 WeakPolarHBondContact O-CB 3.23Å; S414-Q418 WeakPolarHBondContact O-CG 3.48Å; S414-Q418 PolarHBondContact O-N 3.08Å; S414-Q441 PolarHBondContact OG-OE1 2.99Å
415	L	93.6	Very high	90.2	Very high	14 Å²	14	15.7 Å²	15.7	7%	0.073	11%	0.11	C	C	.	.	H	α-helix	trans	-61.3	-30.6	179.6	-170.9	69.9	0	0	0	112.7	F377 F381 L383 F386 I394 G412 K413 Y417 Q418 L419	F377-L415 HydrophobicContact CD2-CD2 4.34Å; F377-L415 HydrophobicContact CE2-CD2 3.99Å; F381-L415 HydrophobicContact CD1-CD1 3.83Å; F381-L415 HydrophobicContact CD2-CD1 4.42Å; F381-L415 HydrophobicContact CE1-CD1 4.07Å; F381-L415 HydrophobicContact CG-CD1 4.03Å; F381-L415 HydrophobicContact CZ-CD1 4.47Å; L383-L415 HydrophobicContact CD1-CD1 3.86Å; L383-L415 HydrophobicContact CD1-CD2 3.71Å; L383-L415 HydrophobicContact CD1-CG 4.44Å; F386-L415 HydrophobicContact CD1-CD2 4.29Å; F386-L415 HydrophobicContact CE1-CD2 4.35Å; I394-L415 HydrophobicContact CD1-CD2 4.33Å; I394-L415 HydrophobicContact CD1-CG 4.14Å; G412-L415 PolarHBondContact O-N 3.26Å; K413-L415 VanDerWaalsContact C-N 3.25Å; K413-L415 PolarHBondContact O-N 3.19Å; K413-L415 VanDerWaalsContact O-N 3.1Å; L415-Y417 PolarHBondContact O-N 3.2Å; L415-Q418 PolarHBondContact O-N 3.45Å; L415-L419 HydrophobicContact CD1-CB 4.09Å; L415-L419 HydrophobicContact CG-CB 4.4Å; L415-L419 WeakPolarHBondContact O-CB 3.25Å; L415-L419 PolarHBondContact O-N 3.42Å
416	C	96.1	Very high	90.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.4	-22.8	-174.4	-54.5	0	0	0	0	113.3	A393 K413 S414 P420 M545 M547	A393-C416 HydrophobicContact CB-CB 4.33Å; K413-C416 VanDerWaalsContact O-CB 3.23Å; K413-C416 WeakPolarHBondContact O-CB 3.46Å; K413-C416 PolarHBondContact O-N 2.85Å; K413-C416 PolarHBondContact O-SG 2.99Å; K413-C416 VanDerWaalsContact O-SG 3.4Å; S414-C416 PolarHBondContact O-N 2.81Å; C416-P420 WeakPolarHBondContact O-CD 3.29Å; C416-P420 WeakPolarHBondContact O-CG 3.43Å; C416-M545 HydrophobicContact CB-SD 4.23Å; C416-M547 HydrophobicContact CB-CE 3.84Å
417	Y	96.3	Very high	90.3	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-114.4	-29.8	170.7	67.3	-94.5	0	0	0	113.5	S414 L415 L419 P420 A421 V430 L480 Y482 V511 M547	S414-Y417 WeakPolarHBondContact O-CD1 3.41Å; S414-Y417 PolarHBondContact O-N 3.45Å; L415-Y417 PolarHBondContact O-N 3.2Å; Y417-L419 PolarHBondContact O-N 2.8Å; Y417-P420 WeakPolarHBondContact O-CD 3.24Å; Y417-A421 WeakPolarHBondContact O-CB 3.34Å; Y417-A421 PolarHBondContact O-N 3.38Å; Y417-V430 HydrophobicContact CD2-CG2 3.86Å; Y417-V430 HydrophobicContact CE2-CG1 4.11Å; Y417-V430 HydrophobicContact CE2-CG2 3.6Å; Y417-L480 HydrophobicContact CD2-CD2 3.98Å; Y417-L480 HydrophobicContact CE2-CD2 4.17Å; Y417-Y482 WeakPolarHBondContact CE2-OH 3.4Å; Y417-Y482 PolarHBondContact OH-OH 2.88Å; Y417-V511 HydrophobicContact CD1-CG1 3.72Å; Y417-V511 HydrophobicContact CD1-CG2 4.5Å; Y417-V511 HydrophobicContact CD2-CG1 4.39Å; Y417-V511 HydrophobicContact CD2-CG2 4.13Å; Y417-V511 HydrophobicContact CE1-CG1 4.08Å; Y417-V511 HydrophobicContact CG-CB 4.41Å; Y417-V511 HydrophobicContact CG-CG1 3.88Å; Y417-V511 HydrophobicContact CG-CG2 3.83Å; Y417-M547 HydrophobicContact CD1-SD 3.54Å; Y417-M547 VanDerWaalsContact CD1-SD 3.54Å; Y417-M547 HydrophobicContact CE1-SD 3.9Å
418	Q	96.4	Very high	90.7	Very high	8 Å²	8	15.7 Å²	15.7	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-65.8	-36.7	179.7	-71.3	171.4	-12.1	0	0	112.2	F381 S414 L415 V422 L445 L480 Y482	F381-Q418 HydrophobicContact CE1-CB 4.02Å; F381-Q418 HydrophobicContact CZ-CB 3.96Å; S414-Q418 VanDerWaalsContact O-CB 3.25Å; S414-Q418 WeakPolarHBondContact O-CB 3.23Å; S414-Q418 WeakPolarHBondContact O-CG 3.48Å; S414-Q418 PolarHBondContact O-N 3.08Å; L415-Q418 PolarHBondContact O-N 3.45Å; Q418-V422 WeakPolarHBondContact O-CG2 3.39Å; Q418-V422 PolarHBondContact O-N 2.8Å; Q418-L445 HydrophobicContact CB-CD2 4.26Å; Q418-L445 HydrophobicContact CG-CD1 4.36Å; Q418-L445 HydrophobicContact CG-CD2 3.99Å; Q418-L480 HydrophobicContact CB-CD1 4.4Å; Q418-L480 HydrophobicContact CG-CD1 4.1Å; Q418-Y482 PolarHBondContact NE2-OH 3.1Å
419	L	95.7	Very high	91.3	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-71.3	-48.8	176.1	-176.6	61.9	0	0	0	112.2	M373 A376 F377 F381 F386 I394 L415 Y417 A421 V422 V423	M373-L419 HydrophobicContact CG-CD2 3.72Å; M373-L419 HydrophobicContact CG-CG 4.31Å; A376-L419 HydrophobicContact CB-CD1 3.69Å; F377-L419 HydrophobicContact CB-CD1 4.31Å; F377-L419 HydrophobicContact CB-CD2 3.91Å; F377-L419 HydrophobicContact CD2-CD2 4.07Å; F377-L419 HydrophobicContact CG-CD2 4.41Å; F381-L419 HydrophobicContact CD2-CD1 3.91Å; F381-L419 HydrophobicContact CE2-CB 4.27Å; F381-L419 HydrophobicContact CE2-CD1 3.69Å; F386-L419 HydrophobicContact CE1-CD2 4.09Å; F386-L419 HydrophobicContact CZ-CD2 4.23Å; I394-L419 HydrophobicContact CD1-CB 4.39Å; I394-L419 HydrophobicContact CD1-CD2 4.14Å; I394-L419 HydrophobicContact CG2-CD2 4.18Å; L415-L419 HydrophobicContact CD1-CB 4.09Å; L415-L419 HydrophobicContact CG-CB 4.4Å; L415-L419 WeakPolarHBondContact O-CB 3.25Å; L415-L419 PolarHBondContact O-N 3.42Å; Y417-L419 PolarHBondContact O-N 2.8Å; L419-A421 VanDerWaalsContact C-N 3.31Å; L419-A421 PolarHBondContact O-N 3.34Å; L419-V422 PolarHBondContact O-N 2.75Å; L419-V422 VanDerWaalsContact O-N 3.12Å; L419-V423 HydrophobicContact CD1-CG2 4.16Å; L419-V423 HydrophobicContact CG-CG2 4.4Å; L419-V423 WeakPolarHBondContact O-CG2 3.43Å; L419-V423 PolarHBondContact O-N 2.8Å; L419-V423 VanDerWaalsContact O-N 3.13Å
420	P	96.4	Very high	92.3	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-52.3	-44.4	171.8	-30.9	36.1	0	0	0	114.1	I394 A397 L398 C416 Y417 V422 V423 Q424	I394-P420 HydrophobicContact CB-CG 4.49Å; I394-P420 HydrophobicContact CG1-CG 4.44Å; I394-P420 HydrophobicContact CG2-CG 4.09Å; A397-P420 HydrophobicContact CB-CB 4.36Å; A397-P420 HydrophobicContact CB-CG 3.91Å; L398-P420 HydrophobicContact CD2-CB 3.98Å; L398-P420 HydrophobicContact CG-CB 4.15Å; L398-P420 HydrophobicContact CG-CG 4.26Å; C416-P420 WeakPolarHBondContact O-CD 3.29Å; C416-P420 WeakPolarHBondContact O-CG 3.43Å; Y417-P420 WeakPolarHBondContact O-CD 3.24Å; P420-V422 PolarHBondContact O-N 3.12Å; P420-V423 PolarHBondContact O-N 3.33Å; P420-Q424 WeakPolarHBondContact O-CB 3.36Å; P420-Q424 WeakPolarHBondContact O-CG 3.39Å; P420-Q424 PolarHBondContact O-N 3.13Å
421	A	96.1	Very high	93.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.8	-28.8	179.8	0	0	0	0	0	114.1	Y417 L419 T428 K479 L480	Y417-A421 WeakPolarHBondContact O-CB 3.34Å; Y417-A421 PolarHBondContact O-N 3.38Å; L419-A421 VanDerWaalsContact C-N 3.31Å; L419-A421 PolarHBondContact O-N 3.34Å; A421-T428 HydrophobicContact CB-CG2 4.31Å; A421-T428 WeakPolarHBondContact CB-OG1 3.38Å; A421-K479 WeakPolarHBondContact O-CD 3.23Å; A421-L480 HydrophobicContact CB-CD1 4.03Å; A421-L480 HydrophobicContact CB-CD2 3.66Å; A421-L480 HydrophobicContact CB-CG 3.69Å
422	V	94.2	Very high	94.1	Very high	24 Å²	24	12 Å²	12	15%	0.145	8%	0.077	C	C	.	.	H	α-helix	trans	-79.4	-33.5	175.1	170.4	0	0	0	0	111.6	A376 M380 F381 Q418 L419 P420 V450	A376-V422 HydrophobicContact CB-CG1 3.97Å; M380-V422 HydrophobicContact CE-CG1 3.75Å; M380-V422 HydrophobicContact SD-CG1 3.54Å; M380-V422 VanDerWaalsContact SD-CG1 3.54Å; F381-V422 HydrophobicContact CE2-CB 4.49Å; F381-V422 HydrophobicContact CE2-CG2 4.18Å; F381-V422 HydrophobicContact CZ-CG2 4.19Å; Q418-V422 WeakPolarHBondContact O-CG2 3.39Å; Q418-V422 PolarHBondContact O-N 2.8Å; L419-V422 PolarHBondContact O-N 2.75Å; L419-V422 VanDerWaalsContact O-N 3.12Å; P420-V422 PolarHBondContact O-N 3.12Å; V422-V450 HydrophobicContact CG2-CB 4.45Å; V422-V450 HydrophobicContact CG2-CG1 3.73Å; V422-V450 HydrophobicContact CG2-CG2 3.8Å
423	V	94	Very high	94	Very high	24 Å²	24	11.4 Å²	11.4	15%	0.145	7%	0.069	C	C	.	.	H	α-helix	trans	-81	-37.7	-177.9	175.2	0	0	0	0	112.6	H369 R372 M373 A376 L398 L419 P420	H369-V423 HydrophobicContact CB-CG1 4.4Å; R372-V423 HydrophobicContact CB-CG1 4.12Å; M373-V423 HydrophobicContact CB-CG2 4.32Å; A376-V423 HydrophobicContact CB-CG2 4.17Å; L398-V423 HydrophobicContact CD1-CG1 4.24Å; L398-V423 HydrophobicContact CD2-CB 4.11Å; L398-V423 HydrophobicContact CD2-CG1 3.92Å; L419-V423 HydrophobicContact CD1-CG2 4.16Å; L419-V423 HydrophobicContact CG-CG2 4.4Å; L419-V423 WeakPolarHBondContact O-CG2 3.43Å; L419-V423 PolarHBondContact O-N 2.8Å; L419-V423 VanDerWaalsContact O-N 3.13Å; P420-V423 PolarHBondContact O-N 3.33Å
424	Q	92.4	Very high	93.4	Very high	31 Å²	31	11.7 Å²	11.7	15%	0.145	7%	0.071	C	C	.	.	S	Bend	trans	-78.5	170.8	176.7	-58.3	-174.1	-79.5	0	0	111.2	L398 D400 P420 K479 D508	L398-Q424 HydrophobicContact CD2-CG 3.5Å; D400-Q424 PolarHBondContact OD1-NE2 3.24Å; P420-Q424 WeakPolarHBondContact O-CB 3.36Å; P420-Q424 WeakPolarHBondContact O-CG 3.39Å; P420-Q424 PolarHBondContact O-N 3.13Å; Q424-K479 PolarHBondContact O-NZ 3.47Å; Q424-D508 HydrophobicContact CB-CB 4.36Å; Q424-D508 WeakPolarHBondContact CB-OD2 3.35Å
425	S	89.6	Confident	92.7	Very high	64 Å²	64	13.7 Å²	13.7	45%	0.448	8%	0.075	S	C	.	.	S	Bend	trans	-96.8	-30.8	-163.9	85	0	0	0	0	114.9	K479 R506 D508	S425-K479 VanDerWaalsContact C-NZ 3.33Å; S425-K479 PolarHBondContact O-NZ 3.23Å; S425-R506 PolarHBondContact OG-NH1 2.81Å; S425-D508 PolarHBondContact N-OD2 3.5Å; S425-D508 VanDerWaalsContact N-OD2 3.11Å
426	G	93	Very high	91.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	-99.4	-139.6	-175.9	0	0	0	0	0	113.2	R506 D508	G426-R506 WeakPolarHBondContact CA-O 3.45Å; G426-D508 VanDerWaalsContact CA-OD1 3.23Å; G426-D508 WeakPolarHBondContact CA-OD1 3.43Å; G426-D508 WeakPolarHBondContact CA-OD2 3.21Å; G426-D508 PolarHBondContact N-OD1 3.19Å; G426-D508 PolarHBondContact N-OD2 2.76Å
427	L	96.2	Very high	90.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.5	-172.8	-164	67.5	0	0	0	112.5	V429 L471 L476 L478 L481 L501 R506 D508	L427-V429 HydrophobicContact CD2-CG2 3.74Å; L427-V429 HydrophobicContact CG-CG2 4.13Å; L427-L471 HydrophobicContact CD1-CD2 4.38Å; L427-L471 HydrophobicContact CD2-CD2 3.55Å; L427-L476 HydrophobicContact CB-CD2 3.78Å; L427-L476 HydrophobicContact CD1-CD2 4.4Å; L427-L478 HydrophobicContact CD1-CB 4.21Å; L427-L478 HydrophobicContact CD1-CD2 3.88Å; L427-L478 HydrophobicContact CD1-CG 3.9Å; L427-L478 WeakPolarHBondContact CD1-O 3.31Å; L427-L481 HydrophobicContact CD1-CB 4Å; L427-L481 HydrophobicContact CD2-CB 4.01Å; L427-L481 HydrophobicContact CD2-CD2 4.12Å; L427-L481 HydrophobicContact CG-CB 4.25Å; L427-L501 HydrophobicContact CD2-CD1 3.79Å; L427-R506 PolarHBondContact N-O 3.23Å; L427-D508 PolarHBondContact O-N 2.84Å
428	T	97.7	Very high	90.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.1	158.6	-70.2	0	0	0	0	109.5	A421 V430 K479 L480 L481 R509 V511	A421-T428 HydrophobicContact CB-CG2 4.31Å; A421-T428 WeakPolarHBondContact CB-OG1 3.38Å; T428-V430 HydrophobicContact CG2-CG2 4.1Å; T428-K479 PolarHBondContact N-O 3.37Å; T428-L480 HydrophobicContact CG2-CD2 3.75Å; T428-L480 WeakPolarHBondContact O-CA 3.19Å; T428-L481 PolarHBondContact O-N 2.79Å; T428-R509 HydrophobicContact CG2-CB 4.15Å; T428-V511 HydrophobicContact CG2-CG2 3.6Å
429	V	97	Very high	89.6	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.3	178	178.8	0	0	0	0	108.9	L427 I431 L481 V483 L498 L507 R509 F510 V511	L427-V429 HydrophobicContact CD2-CG2 3.74Å; L427-V429 HydrophobicContact CG-CG2 4.13Å; V429-I431 HydrophobicContact CG1-CD1 4.36Å; V429-L481 WeakPolarHBondContact CA-O 3.34Å; V429-V483 HydrophobicContact CG1-CG2 3.93Å; V429-L498 HydrophobicContact CG2-CD2 3.75Å; V429-L507 HydrophobicContact CG2-CD1 3.68Å; V429-R509 PolarHBondContact N-O 2.99Å; V429-F510 HydrophobicContact CB-CD1 3.88Å; V429-F510 HydrophobicContact CB-CE1 4.01Å; V429-F510 HydrophobicContact CG1-CD1 4.15Å; V429-F510 HydrophobicContact CG1-CE1 4.18Å; V429-F510 HydrophobicContact CG2-CE1 4.34Å; V429-V511 PolarHBondContact O-N 3.29Å
430	V	97	Very high	88.8	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	111.9	-175.3	-171.2	0	0	0	0	109.6	Y417 T428 L480 L481 Y482 V483 V511 D513	Y417-V430 HydrophobicContact CD2-CG2 3.86Å; Y417-V430 HydrophobicContact CE2-CG1 4.11Å; Y417-V430 HydrophobicContact CE2-CG2 3.6Å; T428-V430 HydrophobicContact CG2-CG2 4.1Å; V430-L480 HydrophobicContact CG2-CD2 3.77Å; V430-L481 PolarHBondContact N-O 3.32Å; V430-Y482 HydrophobicContact CB-CD1 3.69Å; V430-Y482 HydrophobicContact CB-CE1 3.8Å; V430-Y482 HydrophobicContact CB-CG 4.16Å; V430-Y482 HydrophobicContact CG1-CD1 3.72Å; V430-Y482 HydrophobicContact CG1-CE1 3.55Å; V430-Y482 HydrophobicContact CG2-CD1 4.41Å; V430-Y482 HydrophobicContact CG2-CE1 4.16Å; V430-Y482 CarbonylContact O-C 3.59Å; V430-Y482 WeakPolarHBondContact O-CA 3.46Å; V430-V483 PolarHBondContact O-N 2.95Å; V430-V511 HydrophobicContact CB-CB 4.41Å; V430-V511 HydrophobicContact CG1-CB 4.18Å; V430-V511 HydrophobicContact CG1-CG1 4.16Å; V430-V511 HydrophobicContact CG2-CB 4.2Å; V430-V511 HydrophobicContact CG2-CG2 4.41Å; V430-D513 HydrophobicContact CG1-CB 4.47Å
431	I	94.9	Very high	88.4	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	121.1	173.9	-54.2	80.6	0	0	0	107.5	V429 V483 P485 I488 F510 V511 I512 D513 L532 L535	V429-I431 HydrophobicContact CG1-CD1 4.36Å; I431-V483 WeakPolarHBondContact CA-O 3.43Å; I431-V483 HydrophobicContact CG1-CG2 4.05Å; I431-P485 HydrophobicContact CG2-CB 4.11Å; I431-I488 HydrophobicContact CD1-CD1 4.14Å; I431-I488 HydrophobicContact CG1-CD1 3.4Å; I431-I488 VanDerWaalsContact CG1-CD1 3.4Å; I431-F510 HydrophobicContact CD1-CD1 4.13Å; I431-V511 VanDerWaalsContact CD1-O 3.25Å; I431-V511 WeakPolarHBondContact CD1-O 3.29Å; I431-V511 PolarHBondContact N-O 3.14Å; I431-I512 HydrophobicContact CB-CG1 4.49Å; I431-I512 HydrophobicContact CD1-CG1 4.11Å; I431-D513 WeakPolarHBondContact O-CB 3.41Å; I431-D513 PolarHBondContact O-N 2.87Å; I431-L532 HydrophobicContact CG1-CD2 4.28Å; I431-L532 HydrophobicContact CG2-CD1 3.87Å; I431-L532 HydrophobicContact CG2-CD2 4.06Å; I431-L535 HydrophobicContact CD1-CD1 3.97Å; I431-L535 HydrophobicContact CG1-CD1 4.42Å
432	S	91.8	Very high	88.2	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.007	12%	0.124	C	C	.	.			trans	-139.8	145.2	-179.5	-170.5	0	0	0	0	110	L434 V483 D513 Y529	S432-L434 PolarHBondContact O-N 3.36Å; S432-V483 PolarHBondContact N-O 3.33Å; S432-V483 VanDerWaalsContact N-O 3.08Å; S432-D513 PolarHBondContact OG-OD2 2.69Å; S432-Y529 WeakPolarHBondContact CA-OH 3.36Å
433	P	82.6	Confident	87.8	Confident	9 Å²	9	22.7 Å²	22.7	6%	0.058	13%	0.13	C	C	.	.	S	Bend	trans	-81.7	-2	-166.1	23.9	-18.8	0	0	0	113.6	E514 Y529	P433-E514 HydrophobicContact CG-CB 4.15Å; P433-Y529 HydrophobicContact CB-CE2 3.8Å; P433-Y529 WeakPolarHBondContact CD-OH 3.36Å; P433-Y529 HydrophobicContact CG-CE2 4.49Å; P433-Y529 VanDerWaalsContact N-OH 3.12Å
434	L	77.4	Confident	87.5	Confident	29 Å²	29	24.1 Å²	24.1	15%	0.152	13%	0.134	C	C	.	.			trans	-141	113.9	-158.9	-67.4	170	0	0	0	112.6	S432 A436 L437 V438 M669	S432-L434 PolarHBondContact O-N 3.36Å; L434-A436 PolarHBondContact O-N 3.4Å; L434-L437 HydrophobicContact CB-CB 3.86Å; L434-L437 HydrophobicContact CD1-CB 4.43Å; L434-L437 PolarHBondContact O-N 3.02Å; L434-L437 VanDerWaalsContact O-N 3.08Å; L434-V438 WeakPolarHBondContact O-CG2 3.26Å; L434-V438 PolarHBondContact O-N 3.14Å; L434-M669 HydrophobicContact CD1-CB 3.54Å; L434-M669 HydrophobicContact CD1-CE 4.01Å; L434-M669 HydrophobicContact CD1-CG 3.99Å; L434-M669 HydrophobicContact CD1-SD 4.27Å; L434-M669 HydrophobicContact CD2-CB 3.7Å; L434-M669 HydrophobicContact CD2-CE 4.16Å; L434-M669 HydrophobicContact CD2-CG 4.24Å; L434-M669 HydrophobicContact CD2-SD 3.76Å; L434-M669 HydrophobicContact CG-CB 4.25Å; L434-M669 HydrophobicContact CG-CE 4.35Å; L434-M669 HydrophobicContact CG-SD 4.49Å
435	K	77.6	Confident	87.4	Confident	80 Å²	80	22.6 Å²	22.6	35%	0.348	13%	0.127	S	C	.	.	H	α-helix	trans	-48.4	-43.8	172	-57.6	179.4	-177.4	169.4	0	112.3	V438 L439 T456 E458	K435-V438 PolarHBondContact O-N 2.9Å; K435-L439 WeakPolarHBondContact O-CB 3.11Å; K435-L439 VanDerWaalsContact O-CG 3.25Å; K435-L439 WeakPolarHBondContact O-CG 3.23Å; K435-L439 PolarHBondContact O-N 3.21Å; K435-T456 HydrophobicContact CG-CG2 4.37Å; K435-E458 WeakPolarHBondContact CD-OE1 3.25Å; K435-E458 WeakPolarHBondContact CE-OE1 3.35Å; K435-E458 IonicContact NZ-OE1 3.8Å; K435-E458 PolarHBondContact NZ-OE1 2.76Å
436	A	73.1	Confident	87.5	Confident	46 Å²	46	24.1 Å²	24.1	38%	0.38	13%	0.127	S	C	.	.	H	α-helix	trans	-65.3	-39.3	-179.2	0	0	0	0	0	113.6	L434 D440	L434-A436 PolarHBondContact O-N 3.4Å; A436-D440 PolarHBondContact O-N 3.2Å
437	L	77.8	Confident	87.2	Confident	38 Å²	38	24.4 Å²	24.4	20%	0.199	13%	0.129	C	C	.	.	H	α-helix	trans	-71.9	-41.5	177	-176.5	59.7	0	0	0	110.9	L434 L439 D440 Q441	L434-L437 HydrophobicContact CB-CB 3.86Å; L434-L437 HydrophobicContact CD1-CB 4.43Å; L434-L437 PolarHBondContact O-N 3.02Å; L434-L437 VanDerWaalsContact O-N 3.08Å; L437-L439 PolarHBondContact O-N 3.48Å; L437-D440 PolarHBondContact O-N 3.38Å; L437-Q441 HydrophobicContact CD1-CG 4.35Å; L437-Q441 WeakPolarHBondContact O-CG 3.38Å; L437-Q441 PolarHBondContact O-N 3.1Å
438	V	84.7	Confident	86.8	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-56.3	-48.8	173.9	163.9	0	0	0	0	111.4	L434 K435 Q441 V442 H454 T456 Y482	L434-V438 WeakPolarHBondContact O-CG2 3.26Å; L434-V438 PolarHBondContact O-N 3.14Å; K435-V438 PolarHBondContact O-N 2.9Å; V438-Q441 PolarHBondContact O-N 3.42Å; V438-V442 WeakPolarHBondContact O-CB 3.49Å; V438-V442 WeakPolarHBondContact O-CG2 3.24Å; V438-V442 PolarHBondContact O-N 2.9Å; V438-H454 HydrophobicContact CG1-CB 3.41Å; V438-H454 VanDerWaalsContact CG1-CB 3.41Å; V438-T456 HydrophobicContact CB-CG2 4.48Å; V438-T456 HydrophobicContact CG1-CG2 3.89Å; V438-Y482 HydrophobicContact CG1-CG 4.26Å; V438-Y482 HydrophobicContact CG2-CD1 4.21Å
439	L	82.6	Confident	86.4	Confident	67 Å²	67	26.3 Å²	26.3	35%	0.351	15%	0.146	S	C	.	.	H	α-helix	trans	-62.8	-47.7	180	-72.3	168.2	0	0	0	112	K435 L437 Q441 V442 T443 H454	K435-L439 WeakPolarHBondContact O-CB 3.11Å; K435-L439 VanDerWaalsContact O-CG 3.25Å; K435-L439 WeakPolarHBondContact O-CG 3.23Å; K435-L439 PolarHBondContact O-N 3.21Å; L437-L439 PolarHBondContact O-N 3.48Å; L439-Q441 PolarHBondContact O-N 3.41Å; L439-V442 PolarHBondContact O-N 3.19Å; L439-T443 PolarHBondContact O-N 2.78Å; L439-T443 PolarHBondContact O-OG1 2.79Å; L439-H454 WeakPolarHBondContact CD2-NE2 3.1Å
440	D	79.7	Confident	86.1	Confident	26 Å²	26	26.4 Å²	26.4	14%	0.139	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-46.2	177.3	173.3	82.5	0	0	0	112.3	A436 L437 V442 T443 K444 T958	A436-D440 PolarHBondContact O-N 3.2Å; L437-D440 PolarHBondContact O-N 3.38Å; D440-V442 PolarHBondContact O-N 3.05Å; D440-T443 PolarHBondContact O-N 3.34Å; D440-K444 WeakPolarHBondContact O-CB 3.48Å; D440-K444 PolarHBondContact O-N 3.2Å; D440-T958 WeakPolarHBondContact O-CG2 3.33Å; D440-T958 VanDerWaalsContact OD1-CG2 3.23Å; D440-T958 WeakPolarHBondContact OD1-CG2 3.16Å; D440-T958 PolarHBondContact OD1-OG1 3.17Å
441	Q	87.9	Confident	86	Confident	12 Å²	12	29.1 Å²	29.1	6%	0.056	16%	0.164	C	C	.	.	H	α-helix	trans	-67.3	-36.3	178.9	-63.6	-59.5	-83.4	0	0	112.5	S414 L437 V438 L439 K444 L445 Y482	S414-Q441 PolarHBondContact OG-OE1 2.99Å; L437-Q441 HydrophobicContact CD1-CG 4.35Å; L437-Q441 WeakPolarHBondContact O-CG 3.38Å; L437-Q441 PolarHBondContact O-N 3.1Å; V438-Q441 PolarHBondContact O-N 3.42Å; L439-Q441 PolarHBondContact O-N 3.41Å; Q441-K444 PolarHBondContact O-N 3.29Å; Q441-L445 WeakPolarHBondContact O-CB 2.76Å; Q441-L445 WeakPolarHBondContact O-CD1 3.41Å; Q441-L445 VanDerWaalsContact O-CG 3.26Å; Q441-L445 WeakPolarHBondContact O-CG 3.36Å; Q441-L445 PolarHBondContact O-N 3.08Å; Q441-Y482 HydrophobicContact CB-CE1 3.95Å; Q441-Y482 HydrophobicContact CB-CE2 4.46Å; Q441-Y482 HydrophobicContact CG-CE1 4.5Å
442	V	89.9	Confident	85.9	Confident	4 Å²	4	29.4 Å²	29.4	2%	0.024	17%	0.167	C	C	.	.	H	α-helix	trans	-66.9	-46.9	174.7	170.1	0	0	0	0	111.2	V438 L439 D440 K444 L445 Q446 H454 Y482	V438-V442 WeakPolarHBondContact O-CB 3.49Å; V438-V442 WeakPolarHBondContact O-CG2 3.24Å; V438-V442 PolarHBondContact O-N 2.9Å; L439-V442 PolarHBondContact O-N 3.19Å; D440-V442 PolarHBondContact O-N 3.05Å; V442-K444 VanDerWaalsContact C-N 3.29Å; V442-K444 PolarHBondContact O-N 2.99Å; V442-L445 PolarHBondContact O-N 3.21Å; V442-Q446 HydrophobicContact CG1-CG 4.29Å; V442-Q446 VanDerWaalsContact CG1-NE2 3.3Å; V442-Q446 WeakPolarHBondContact O-CB 3.41Å; V442-Q446 VanDerWaalsContact O-CG 3.3Å; V442-Q446 WeakPolarHBondContact O-CG 2.97Å; V442-Q446 PolarHBondContact O-N 2.85Å; V442-H454 HydrophobicContact CG2-CB 4.31Å; V442-Y482 HydrophobicContact CG2-CD2 3.47Å; V442-Y482 VanDerWaalsContact CG2-CD2 3.47Å; V442-Y482 HydrophobicContact CG2-CE2 4.03Å; V442-Y482 HydrophobicContact CG2-CG 4.07Å
443	T	86.8	Confident	86	Confident	44 Å²	44	30.1 Å²	30.1	27%	0.27	17%	0.172	S	C	.	.	H	α-helix	trans	-59.5	-40.7	174.8	-60.4	0	0	0	0	111.4	L439 D440 Q446 S447 I953	L439-T443 PolarHBondContact O-N 2.78Å; L439-T443 PolarHBondContact O-OG1 2.79Å; D440-T443 PolarHBondContact O-N 3.34Å; T443-Q446 PolarHBondContact O-N 3.4Å; T443-S447 WeakPolarHBondContact O-CB 2.89Å; T443-S447 PolarHBondContact O-N 3.09Å; T443-I953 HydrophobicContact CG2-CD1 4Å; T443-I953 HydrophobicContact CG2-CG1 4.12Å; T443-I953 HydrophobicContact CG2-CG2 4.05Å
444	K	86.9	Confident	86.5	Confident	54 Å²	54	31.3 Å²	31.3	24%	0.235	18%	0.177	C	C	.	.	H	α-helix	trans	-58	-50.6	174.6	-171	162.7	-171.7	166.4	0	111.8	D440 Q441 V442 S447 L448 T958	D440-K444 WeakPolarHBondContact O-CB 3.48Å; D440-K444 PolarHBondContact O-N 3.2Å; Q441-K444 PolarHBondContact O-N 3.29Å; V442-K444 VanDerWaalsContact C-N 3.29Å; V442-K444 PolarHBondContact O-N 2.99Å; K444-S447 PolarHBondContact O-N 3.16Å; K444-S447 PolarHBondContact O-OG 3.14Å; K444-L448 WeakPolarHBondContact O-CG 3.43Å; K444-L448 PolarHBondContact O-N 2.68Å; K444-T958 HydrophobicContact CB-CG2 3.65Å; K444-T958 HydrophobicContact CG-CG2 4.3Å
445	L	91.9	Very high	87.1	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.2	-41.5	-178.8	-73.5	162.4	0	0	0	112.3	Q418 Q441 V442 S447 L448 G449 V450 A452 L480 Y482	Q418-L445 HydrophobicContact CB-CD2 4.26Å; Q418-L445 HydrophobicContact CG-CD1 4.36Å; Q418-L445 HydrophobicContact CG-CD2 3.99Å; Q441-L445 WeakPolarHBondContact O-CB 2.76Å; Q441-L445 WeakPolarHBondContact O-CD1 3.41Å; Q441-L445 VanDerWaalsContact O-CG 3.26Å; Q441-L445 WeakPolarHBondContact O-CG 3.36Å; Q441-L445 PolarHBondContact O-N 3.08Å; V442-L445 PolarHBondContact O-N 3.21Å; L445-S447 VanDerWaalsContact C-N 3.31Å; L445-S447 PolarHBondContact O-N 3.36Å; L445-L448 CarbonylContact O-C 2.73Å; L445-L448 WeakPolarHBondContact O-CA 3.39Å; L445-L448 WeakPolarHBondContact O-CB 3.34Å; L445-L448 PolarHBondContact O-N 3.16Å; L445-G449 PolarHBondContact O-N 3.39Å; L445-V450 CarbonylContact C-O 3.58Å; L445-V450 HydrophobicContact CB-CB 4.12Å; L445-V450 HydrophobicContact CB-CG1 4.44Å; L445-V450 HydrophobicContact CD2-CB 4.06Å; L445-V450 HydrophobicContact CD2-CG1 4.01Å; L445-V450 HydrophobicContact CD2-CG2 4.27Å; L445-V450 WeakPolarHBondContact O-CB 3.46Å; L445-V450 PolarHBondContact O-N 3.45Å; L445-A452 HydrophobicContact CB-CB 3.63Å; L445-A452 HydrophobicContact CD1-CB 3.78Å; L445-A452 HydrophobicContact CG-CB 4.35Å; L445-L480 HydrophobicContact CD1-CB 4.36Å; L445-L480 HydrophobicContact CD1-CD1 3.56Å; L445-L480 HydrophobicContact CD2-CD1 3.84Å; L445-L480 HydrophobicContact CG-CD1 4.34Å; L445-Y482 HydrophobicContact CD1-CE2 3.64Å
446	Q	91.1	Very high	87.3	Confident	95 Å²	95	26.5 Å²	26.5	44%	0.444	16%	0.155	S	C	.	.	H	α-helix	trans	-62.3	-37.6	173.9	-69.8	171.7	-7.7	0	0	111.7	V442 T443 L448 G449 A452 Y988	V442-Q446 HydrophobicContact CG1-CG 4.29Å; V442-Q446 VanDerWaalsContact CG1-NE2 3.3Å; V442-Q446 WeakPolarHBondContact O-CB 3.41Å; V442-Q446 VanDerWaalsContact O-CG 3.3Å; V442-Q446 WeakPolarHBondContact O-CG 2.97Å; V442-Q446 PolarHBondContact O-N 2.85Å; T443-Q446 PolarHBondContact O-N 3.4Å; Q446-L448 PolarHBondContact O-N 3.21Å; Q446-G449 PolarHBondContact O-N 3.45Å; Q446-A452 PolarHBondContact NE2-O 3.43Å; Q446-Y988 WeakPolarHBondContact O-CE1 3.03Å
447	S	85.9	Confident	87.3	Confident	7 Å²	7	27 Å²	27	5%	0.049	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-9.6	173.3	81.6	0	0	0	0	114.9	T443 K444 L445 Y988 K989	T443-S447 WeakPolarHBondContact O-CB 2.89Å; T443-S447 PolarHBondContact O-N 3.09Å; K444-S447 PolarHBondContact O-N 3.16Å; K444-S447 PolarHBondContact O-OG 3.14Å; L445-S447 VanDerWaalsContact C-N 3.31Å; L445-S447 PolarHBondContact O-N 3.36Å; S447-Y988 WeakPolarHBondContact O-CD1 3.34Å; S447-K989 WeakPolarHBondContact O-CG 3.36Å
448	L	88.5	Confident	86.9	Confident	13 Å²	13	30.4 Å²	30.4	7%	0.068	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	4.3	171.9	-60.8	171.8	0	0	0	112.5	F381 K444 L445 Q446 V450	F381-L448 HydrophobicContact CD1-CD1 3.88Å; F381-L448 HydrophobicContact CE1-CD1 4.12Å; K444-L448 WeakPolarHBondContact O-CG 3.43Å; K444-L448 PolarHBondContact O-N 2.68Å; L445-L448 CarbonylContact O-C 2.73Å; L445-L448 WeakPolarHBondContact O-CA 3.39Å; L445-L448 WeakPolarHBondContact O-CB 3.34Å; L445-L448 PolarHBondContact O-N 3.16Å; Q446-L448 PolarHBondContact O-N 3.21Å; L448-V450 HydrophobicContact CB-CG2 4.22Å; L448-V450 PolarHBondContact O-N 2.82Å
449	G	89.1	Confident	86.3	Confident	27 Å²	27	31.2 Å²	31.2	28%	0.278	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	12	-175.1	0	0	0	0	0	114.3	L445 Q446 P451	L445-G449 PolarHBondContact O-N 3.39Å; Q446-G449 PolarHBondContact O-N 3.45Å; G449-P451 WeakPolarHBondContact O-CD 3.32Å
450	V	91.8	Very high	86.2	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.012	19%	0.188	C	C	.	.			trans	-81.8	123.2	177.2	178.9	0	0	0	0	109.5	M380 V422 L445 L448 A452 K479 L480	M380-V450 HydrophobicContact CE-CG2 3.89Å; V422-V450 HydrophobicContact CG2-CB 4.45Å; V422-V450 HydrophobicContact CG2-CG1 3.73Å; V422-V450 HydrophobicContact CG2-CG2 3.8Å; L445-V450 CarbonylContact C-O 3.58Å; L445-V450 HydrophobicContact CB-CB 4.12Å; L445-V450 HydrophobicContact CB-CG1 4.44Å; L445-V450 HydrophobicContact CD2-CB 4.06Å; L445-V450 HydrophobicContact CD2-CG1 4.01Å; L445-V450 HydrophobicContact CD2-CG2 4.27Å; L445-V450 WeakPolarHBondContact O-CB 3.46Å; L445-V450 PolarHBondContact O-N 3.45Å; L448-V450 HydrophobicContact CB-CG2 4.22Å; L448-V450 PolarHBondContact O-N 2.82Å; V450-A452 PolarHBondContact O-N 2.89Å; V450-K479 HydrophobicContact CG1-CB 4.43Å; V450-L480 HydrophobicContact CG1-CD1 4.2Å
451	P	93.1	Very high	86.3	Confident	58 Å²	58	36.3 Å²	36.3	38%	0.377	22%	0.218	S	C	.	.			trans	-65.8	98.9	175.6	-23.6	36.4	0	0	0	111.7	G449 R477 K479 L480	G449-P451 WeakPolarHBondContact O-CD 3.32Å; P451-R477 VanDerWaalsContact CB-O 3.24Å; P451-R477 WeakPolarHBondContact CB-O 3.39Å; P451-R477 WeakPolarHBondContact CG-O 3.4Å; P451-K479 PolarHBondContact O-N 3.19Å; P451-L480 PolarHBondContact O-N 2.91Å
452	A	94.3	Very high	86.3	Confident	6 Å²	6	39.3 Å²	39.3	5%	0.05	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.6	178.5	0	0	0	0	0	111.2	L445 Q446 V450 L480	L445-A452 HydrophobicContact CB-CB 3.63Å; L445-A452 HydrophobicContact CD1-CB 3.78Å; L445-A452 HydrophobicContact CG-CB 4.35Å; Q446-A452 PolarHBondContact NE2-O 3.43Å; V450-A452 PolarHBondContact O-N 2.89Å; A452-L480 VanDerWaalsContact CA-O 3.32Å; A452-L480 WeakPolarHBondContact CA-O 3.25Å; A452-L480 HydrophobicContact CB-CB 4.04Å
453	A	93.5	Very high	86.1	Confident	15 Å²	15	43.7 Å²	43.7	12%	0.124	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	171.3	179.8	0	0	0	0	0	111.3	V467 L478 L480 Y482	A453-V467 HydrophobicContact CB-CG2 3.74Å; A453-L478 HydrophobicContact CB-CD1 3.74Å; A453-L478 HydrophobicContact CB-CD2 4.31Å; A453-L480 PolarHBondContact N-O 3.44Å; A453-Y482 PolarHBondContact O-N 3.03Å
454	H	92.6	Very high	86.1	Confident	35 Å²	35	42.7 Å²	42.7	16%	0.162	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.6	175.6	61.3	91	0	0	0	112.9	V438 L439 V442 T456 Y482	V438-H454 HydrophobicContact CG1-CB 3.41Å; V438-H454 VanDerWaalsContact CG1-CB 3.41Å; L439-H454 WeakPolarHBondContact CD2-NE2 3.1Å; V442-H454 HydrophobicContact CG2-CB 4.31Å; H454-T456 HydrophobicContact CB-CG2 4.28Å; H454-T456 PolarHBondContact ND1-OG1 2.99Å; H454-Y482 CarbonylContact C-O 3.54Å; H454-Y482 WeakPolarHBondContact CA-O 3.25Å
455	L	90	Very high	86.2	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	87	164.6	-69.6	171.3	0	0	0	108.9	T464 V467 Y468 L481 Y482 V483 K487 L494	L455-T464 HydrophobicContact CD2-CG2 4.09Å; L455-V467 HydrophobicContact CD1-CG1 4.13Å; L455-V467 HydrophobicContact CD2-CB 4.14Å; L455-V467 HydrophobicContact CD2-CG1 3.98Å; L455-V467 HydrophobicContact CG-CG1 3.97Å; L455-Y468 HydrophobicContact CD1-CE1 4.03Å; L455-Y468 HydrophobicContact CD2-CE2 4.43Å; L455-L481 HydrophobicContact CD1-CD1 4.24Å; L455-L481 HydrophobicContact CD1-CD2 4.38Å; L455-L481 HydrophobicContact CG-CD1 4.14Å; L455-Y482 PolarHBondContact N-O 3.19Å; L455-V483 HydrophobicContact CB-CG1 4.34Å; L455-K487 HydrophobicContact CB-CG 4.4Å; L455-L494 HydrophobicContact CD1-CD1 3.99Å
456	T	81.7	Confident	86.2	Confident	6 Å²	6	49 Å²	49	4%	0.037	29%	0.287	C	S	.	.			trans	-110.6	161.1	175.7	55.1	0	0	0	0	109.6	K435 V438 H454 E458 A459 T484	K435-T456 HydrophobicContact CG-CG2 4.37Å; V438-T456 HydrophobicContact CB-CG2 4.48Å; V438-T456 HydrophobicContact CG1-CG2 3.89Å; H454-T456 HydrophobicContact CB-CG2 4.28Å; H454-T456 PolarHBondContact ND1-OG1 2.99Å; T456-E458 PolarHBondContact O-N 3.19Å; T456-A459 PolarHBondContact O-N 3.21Å; T456-T484 HydrophobicContact CG2-CG2 4.01Å
457	G	73.2	Confident	86.2	Confident	58 Å²	58	45.3 Å²	45.3	60%	0.598	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-0.2	178.9	0	0	0	0	0	116.4
458	E	68.8	Low	86.5	Confident	108 Å²	108	45.4 Å²	45.4	51%	0.505	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-7.1	176.7	-83.4	162.7	-122.4	0	0	113.3	K435 T456 S460	K435-E458 WeakPolarHBondContact CD-OE1 3.25Å; K435-E458 WeakPolarHBondContact CE-OE1 3.35Å; K435-E458 IonicContact NZ-OE1 3.8Å; K435-E458 PolarHBondContact NZ-OE1 2.76Å; T456-E458 PolarHBondContact O-N 3.19Å; E458-S460 PolarHBondContact O-N 3.39Å
459	A	72.6	Confident	86.6	Confident	18 Å²	18	48.8 Å²	48.8	15%	0.149	29%	0.292	C	S	.	.	S	Bend	trans	-65.8	133.4	174.3	0	0	0	0	0	109.9	T456	T456-A459 PolarHBondContact O-N 3.21Å
460	S	79.9	Confident	86.7	Confident	53 Å²	53	48.8 Å²	48.8	37%	0.371	29%	0.289	S	S	.	.			trans	-63	161.4	175.8	68.8	0	0	0	0	111.2	E458 S462 E463 T464	E458-S460 PolarHBondContact O-N 3.39Å; S460-S462 PolarHBondContact O-N 3.41Å; S460-E463 WeakPolarHBondContact CB-OE2 3.21Å; S460-E463 PolarHBondContact N-OE2 2.98Å; S460-E463 PolarHBondContact O-N 3.18Å; S460-E463 VanDerWaalsContact OG-CD 3.3Å; S460-E463 WeakPolarHBondContact OG-CG 3.49Å; S460-E463 PolarHBondContact OG-N 3.24Å; S460-E463 PolarHBondContact OG-OE2 2.94Å; S460-T464 VanDerWaalsContact O-CB 3.22Å; S460-T464 WeakPolarHBondContact O-CB 3.23Å; S460-T464 PolarHBondContact O-N 3.34Å; S460-T464 PolarHBondContact O-OG1 2.98Å
461	L	83	Confident	86.7	Confident	146 Å²	146	49 Å²	49	76%	0.764	29%	0.29	S	S	*	.	H	α-helix	trans	-57.5	-38.6	174.6	-65	174.3	0	0	0	111.4	T464 D465	L461-T464 PolarHBondContact O-N 3.35Å; L461-D465 WeakPolarHBondContact O-CB 3.47Å; L461-D465 PolarHBondContact O-N 2.84Å
462	S	86.7	Confident	86.5	Confident	76 Å²	76	50.6 Å²	50.6	53%	0.531	29%	0.292	S	S	.	.	H	α-helix	trans	-64.1	-48.7	177.4	-174	0	0	0	0	112.5	S460 T464 D465 Q466	S460-S462 PolarHBondContact O-N 3.41Å; S462-T464 VanDerWaalsContact C-N 3.33Å; S462-T464 PolarHBondContact O-N 3.39Å; S462-D465 PolarHBondContact O-N 2.79Å; S462-Q466 WeakPolarHBondContact O-CB 3.44Å; S462-Q466 WeakPolarHBondContact O-CG 3.29Å; S462-Q466 PolarHBondContact O-N 3.02Å; S462-Q466 PolarHBondContact O-NE2 3.15Å; S462-Q466 PolarHBondContact OG-NE2 3.3Å
463	E	85.8	Confident	86.1	Confident	96 Å²	96	54.6 Å²	54.6	45%	0.449	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-41.5	176.6	-68.1	157.7	128.8	0	0	111.2	S460 D465 Q466 V467	S460-E463 WeakPolarHBondContact CB-OE2 3.21Å; S460-E463 PolarHBondContact N-OE2 2.98Å; S460-E463 PolarHBondContact O-N 3.18Å; S460-E463 VanDerWaalsContact OG-CD 3.3Å; S460-E463 WeakPolarHBondContact OG-CG 3.49Å; S460-E463 PolarHBondContact OG-N 3.24Å; S460-E463 PolarHBondContact OG-OE2 2.94Å; E463-D465 PolarHBondContact O-N 2.85Å; E463-Q466 PolarHBondContact O-N 3.39Å; E463-V467 WeakPolarHBondContact O-CG2 3.36Å; E463-V467 PolarHBondContact O-N 3.41Å
464	T	87.8	Confident	85.5	Confident	22 Å²	22	58.5 Å²	58.5	14%	0.135	34%	0.344	C	S	.	.	H	α-helix	trans	-58.6	-47.8	177.3	-65.4	0	0	0	0	111.5	L455 S460 L461 S462 V467 Y468	L455-T464 HydrophobicContact CD2-CG2 4.09Å; S460-T464 VanDerWaalsContact O-CB 3.22Å; S460-T464 WeakPolarHBondContact O-CB 3.23Å; S460-T464 PolarHBondContact O-N 3.34Å; S460-T464 PolarHBondContact O-OG1 2.98Å; L461-T464 PolarHBondContact O-N 3.35Å; S462-T464 VanDerWaalsContact C-N 3.33Å; S462-T464 PolarHBondContact O-N 3.39Å; T464-V467 PolarHBondContact O-N 2.93Å; T464-Y468 HydrophobicContact CG2-CD2 3.77Å; T464-Y468 HydrophobicContact CG2-CE2 3.46Å; T464-Y468 VanDerWaalsContact CG2-CE2 3.46Å; T464-Y468 WeakPolarHBondContact O-CD2 3.35Å; T464-Y468 PolarHBondContact O-N 2.82Å
465	D	89.1	Confident	85.1	Confident	70 Å²	70	62.5 Å²	62.5	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-77.6	-26.2	179.5	-75.8	-37.4	0	0	0	113.5	L461 S462 E463 T469 K493	L461-D465 WeakPolarHBondContact O-CB 3.47Å; L461-D465 PolarHBondContact O-N 2.84Å; S462-D465 PolarHBondContact O-N 2.79Å; E463-D465 PolarHBondContact O-N 2.85Å; D465-T469 VanDerWaalsContact O-CB 3.25Å; D465-T469 WeakPolarHBondContact O-CB 3.29Å; D465-T469 PolarHBondContact O-N 2.99Å; D465-T469 PolarHBondContact O-OG1 2.92Å; D465-K493 IonicContact OD1-NZ 2.82Å; D465-K493 PolarHBondContact OD1-NZ 3.48Å
466	Q	90.9	Very high	85	Confident	118 Å²	118	62.9 Å²	62.9	55%	0.551	37%	0.368	S	S	*	.	H	α-helix	trans	-61.2	-44.6	165.6	-75.3	169.8	55.9	0	0	111.2	S462 E463 T469 A470	S462-Q466 WeakPolarHBondContact O-CB 3.44Å; S462-Q466 WeakPolarHBondContact O-CG 3.29Å; S462-Q466 PolarHBondContact O-N 3.02Å; S462-Q466 PolarHBondContact O-NE2 3.15Å; S462-Q466 PolarHBondContact OG-NE2 3.3Å; E463-Q466 PolarHBondContact O-N 3.39Å; Q466-T469 PolarHBondContact O-N 2.91Å; Q466-A470 WeakPolarHBondContact O-CB 3.28Å; Q466-A470 PolarHBondContact O-N 2.84Å
467	V	92	Very high	85.5	Confident	17 Å²	17	71.7 Å²	71.7	10%	0.103	40%	0.401	C	S	.	.	H	α-helix	trans	-63	-49.1	175.7	171.9	0	0	0	0	110.9	A453 L455 E463 T464 T469 A470 L471 L481	A453-V467 HydrophobicContact CB-CG2 3.74Å; L455-V467 HydrophobicContact CD1-CG1 4.13Å; L455-V467 HydrophobicContact CD2-CB 4.14Å; L455-V467 HydrophobicContact CD2-CG1 3.98Å; L455-V467 HydrophobicContact CG-CG1 3.97Å; E463-V467 WeakPolarHBondContact O-CG2 3.36Å; E463-V467 PolarHBondContact O-N 3.41Å; T464-V467 PolarHBondContact O-N 2.93Å; V467-T469 VanDerWaalsContact C-N 3.32Å; V467-T469 PolarHBondContact O-N 2.74Å; V467-A470 PolarHBondContact O-N 3.26Å; V467-L471 HydrophobicContact CG1-CD1 4.06Å; V467-L471 HydrophobicContact CG1-CG 4.45Å; V467-L471 VanDerWaalsContact O-CG 3.31Å; V467-L471 WeakPolarHBondContact O-CG 3.37Å; V467-L471 PolarHBondContact O-N 3.38Å; V467-L481 HydrophobicContact CG1-CD1 3.77Å
468	Y	92.3	Very high	86.4	Confident	8 Å²	8	69.7 Å²	69.7	3%	0.031	38%	0.376	C	S	.	.	H	α-helix	trans	-60.2	-41.1	176.6	-74.1	-58.7	0	0	0	112.5	L455 T464 A470 L471 H472 K493 L494 C497	L455-Y468 HydrophobicContact CD1-CE1 4.03Å; L455-Y468 HydrophobicContact CD2-CE2 4.43Å; T464-Y468 HydrophobicContact CG2-CD2 3.77Å; T464-Y468 HydrophobicContact CG2-CE2 3.46Å; T464-Y468 VanDerWaalsContact CG2-CE2 3.46Å; T464-Y468 WeakPolarHBondContact O-CD2 3.35Å; T464-Y468 PolarHBondContact O-N 2.82Å; Y468-A470 VanDerWaalsContact C-N 3.35Å; Y468-A470 PolarHBondContact O-N 2.92Å; Y468-L471 HydrophobicContact CD1-CD1 4.2Å; Y468-L471 PolarHBondContact O-N 3.04Å; Y468-H472 PolarHBondContact O-CD2 3.1Å; Y468-H472 PolarHBondContact O-N 2.92Å; Y468-K493 HydrophobicContact CD1-CD 4.48Å; Y468-K493 HydrophobicContact CD1-CG 4.22Å; Y468-K493 HydrophobicContact CD2-CD 3.88Å; Y468-K493 HydrophobicContact CD2-CG 4.47Å; Y468-K493 HydrophobicContact CE1-CB 4.49Å; Y468-K493 HydrophobicContact CE1-CD 4.31Å; Y468-K493 HydrophobicContact CE1-CG 3.89Å; Y468-K493 HydrophobicContact CE2-CD 3.64Å; Y468-K493 HydrophobicContact CE2-CG 4.13Å; Y468-K493 HydrophobicContact CG-CD 4.29Å; Y468-L494 HydrophobicContact CE1-CB 4.42Å; Y468-C497 VanDerWaalsContact CD1-SG 3.59Å
469	T	91.1	Very high	87.7	Confident	84 Å²	84	66.3 Å²	66.3	52%	0.515	36%	0.36	S	S	.	.	H	α-helix	trans	-59.5	-45.7	175	-58.9	0	0	0	0	111.1	D465 Q466 V467 L471 H472 M473	D465-T469 VanDerWaalsContact O-CB 3.25Å; D465-T469 WeakPolarHBondContact O-CB 3.29Å; D465-T469 PolarHBondContact O-N 2.99Å; D465-T469 PolarHBondContact O-OG1 2.92Å; Q466-T469 PolarHBondContact O-N 2.91Å; V467-T469 VanDerWaalsContact C-N 3.32Å; V467-T469 PolarHBondContact O-N 2.74Å; T469-L471 VanDerWaalsContact C-N 3.32Å; T469-L471 PolarHBondContact O-N 3.14Å; T469-H472 PolarHBondContact O-N 3.26Å; T469-M473 HydrophobicContact CG2-CE 4.23Å; T469-M473 WeakPolarHBondContact O-CG 3.32Å; T469-M473 PolarHBondContact O-N 2.93Å
470	A	91.1	Very high	88.8	Confident	28 Å²	28	65.5 Å²	65.5	23%	0.231	35%	0.353	C	S	.	.	H	α-helix	trans	-62.5	-35.3	176.9	0	0	0	0	0	113.2	Q466 V467 Y468	Q466-A470 WeakPolarHBondContact O-CB 3.28Å; Q466-A470 PolarHBondContact O-N 2.84Å; V467-A470 PolarHBondContact O-N 3.26Å; Y468-A470 VanDerWaalsContact C-N 3.35Å; Y468-A470 PolarHBondContact O-N 2.92Å
471	L	91.2	Very high	89.6	Confident	5 Å²	5	63 Å²	63	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-69.4	-31	174.7	-65.3	169.1	0	0	0	112.7	L427 V467 Y468 T469 L476 L478 L481 L501	L427-L471 HydrophobicContact CD1-CD2 4.38Å; L427-L471 HydrophobicContact CD2-CD2 3.55Å; V467-L471 HydrophobicContact CG1-CD1 4.06Å; V467-L471 HydrophobicContact CG1-CG 4.45Å; V467-L471 VanDerWaalsContact O-CG 3.31Å; V467-L471 WeakPolarHBondContact O-CG 3.37Å; V467-L471 PolarHBondContact O-N 3.38Å; Y468-L471 HydrophobicContact CD1-CD1 4.2Å; Y468-L471 PolarHBondContact O-N 3.04Å; T469-L471 VanDerWaalsContact C-N 3.32Å; T469-L471 PolarHBondContact O-N 3.14Å; L471-L476 HydrophobicContact CD2-CD1 4.38Å; L471-L478 HydrophobicContact CD2-CD2 3.94Å; L471-L481 HydrophobicContact CD1-CD2 4.03Å; L471-L481 HydrophobicContact CD2-CD2 4.21Å; L471-L501 HydrophobicContact CD2-CD1 3.91Å
472	H	87.9	Confident	90.2	Very high	92 Å²	92	56 Å²	56	43%	0.426	30%	0.299	S	S	.	.	H	α-helix	trans	-80	-20.4	178.9	-80.4	-69.5	0	0	0	114.4	Y468 T469 C497 R504	Y468-H472 PolarHBondContact O-CD2 3.1Å; Y468-H472 PolarHBondContact O-N 2.92Å; T469-H472 PolarHBondContact O-N 3.26Å; H472-C497 PolarHBondContact NE2-SG 3.04Å; H472-C497 VanDerWaalsContact NE2-SG 3.36Å; H472-R504 PolarHBondContact O-NH1 3.23Å
473	M	86.6	Confident	90.5	Very high	91 Å²	91	52.4 Å²	52.4	45%	0.448	27%	0.274	S	S	.	.	S	Bend	trans	-54.2	143.6	-179.1	-67.5	-170.5	-177.5	0	0	112.9	T469 N475	T469-M473 HydrophobicContact CG2-CE 4.23Å; T469-M473 WeakPolarHBondContact O-CG 3.32Å; T469-M473 PolarHBondContact O-N 2.93Å; M473-N475 VanDerWaalsContact C-N 3.32Å; M473-N475 PolarHBondContact O-N 3.38Å
474	A	80.6	Confident	90.7	Very high	97 Å²	97	48.5 Å²	48.5	80%	0.802	26%	0.256	S	S	*	.	S	Bend	trans	-66.4	-33.3	178.5	0	0	0	0	0	112.9
475	N	85.4	Confident	90.8	Very high	119 Å²	119	47.5 Å²	47.5	64%	0.636	25%	0.25	S	S	*	.	S	Bend	trans	-106	97.3	169.5	-174.9	7.1	0	0	0	108.8	M473 R477	M473-N475 VanDerWaalsContact C-N 3.32Å; M473-N475 PolarHBondContact O-N 3.38Å; N475-R477 PolarHBondContact O-N 3Å; N475-R477 VanDerWaalsContact O-N 3.17Å
476	L	88.1	Confident	90.7	Very high	9 Å²	9	47.4 Å²	47.4	5%	0.047	25%	0.247	C	C	.	.			trans	-67.9	110.4	-179.9	-177.9	77.7	0	0	0	110.1	L427 L471 L478 L501	L427-L476 HydrophobicContact CB-CD2 3.78Å; L427-L476 HydrophobicContact CD1-CD2 4.4Å; L471-L476 HydrophobicContact CD2-CD1 4.38Å; L476-L478 HydrophobicContact CD1-CB 4.27Å; L476-L478 WeakPolarHBondContact CD2-O 3.25Å; L476-L478 WeakPolarHBondContact CG-O 3.44Å; L476-L501 HydrophobicContact CD1-CD2 4.32Å; L476-L501 HydrophobicContact CD2-CD2 4.35Å
477	R	90.3	Very high	90.6	Very high	191 Å²	191	44.4 Å²	44.4	72%	0.721	23%	0.233	S	C	*	.			trans	-84.9	-25.9	174.8	-66.1	-177.5	177.1	-178.5	-1	113.4	P451 N475	P451-R477 VanDerWaalsContact CB-O 3.24Å; P451-R477 WeakPolarHBondContact CB-O 3.39Å; P451-R477 WeakPolarHBondContact CG-O 3.4Å; N475-R477 PolarHBondContact O-N 3Å; N475-R477 VanDerWaalsContact O-N 3.17Å
478	L	93.1	Very high	90.4	Very high	15 Å²	15	44 Å²	44	8%	0.079	23%	0.229	C	C	.	.			trans	-74.5	129.3	-177.5	-170.6	71.8	0	0	0	110.7	L427 A453 L471 L476 L481	L427-L478 HydrophobicContact CD1-CB 4.21Å; L427-L478 HydrophobicContact CD1-CD2 3.88Å; L427-L478 HydrophobicContact CD1-CG 3.9Å; L427-L478 WeakPolarHBondContact CD1-O 3.31Å; A453-L478 HydrophobicContact CB-CD1 3.74Å; A453-L478 HydrophobicContact CB-CD2 4.31Å; L471-L478 HydrophobicContact CD2-CD2 3.94Å; L476-L478 HydrophobicContact CD1-CB 4.27Å; L476-L478 WeakPolarHBondContact CD2-O 3.25Å; L476-L478 WeakPolarHBondContact CG-O 3.44Å; L478-L481 HydrophobicContact CD2-CB 4.19Å; L478-L481 HydrophobicContact CD2-CD1 4.27Å
479	K	95.5	Very high	90	Very high	38 Å²	38	45.3 Å²	45.3	17%	0.165	24%	0.242	C	C	.	.			trans	-100.6	-38.7	-179.8	-65.6	-51.3	-162.4	169.3	0	113.5	A421 Q424 S425 T428 V450 P451	A421-K479 WeakPolarHBondContact O-CD 3.23Å; Q424-K479 PolarHBondContact O-NZ 3.47Å; S425-K479 VanDerWaalsContact C-NZ 3.33Å; S425-K479 PolarHBondContact O-NZ 3.23Å; T428-K479 PolarHBondContact N-O 3.37Å; V450-K479 HydrophobicContact CG1-CB 4.43Å; P451-K479 PolarHBondContact O-N 3.19Å
480	L	96.9	Very high	89.7	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.6	-175.6	-76.6	155.1	0	0	0	110.4	Y417 Q418 A421 T428 V430 L445 V450 P451 A452 A453 Y482	Y417-L480 HydrophobicContact CD2-CD2 3.98Å; Y417-L480 HydrophobicContact CE2-CD2 4.17Å; Q418-L480 HydrophobicContact CB-CD1 4.4Å; Q418-L480 HydrophobicContact CG-CD1 4.1Å; A421-L480 HydrophobicContact CB-CD1 4.03Å; A421-L480 HydrophobicContact CB-CD2 3.66Å; A421-L480 HydrophobicContact CB-CG 3.69Å; T428-L480 HydrophobicContact CG2-CD2 3.75Å; T428-L480 WeakPolarHBondContact O-CA 3.19Å; V430-L480 HydrophobicContact CG2-CD2 3.77Å; L445-L480 HydrophobicContact CD1-CB 4.36Å; L445-L480 HydrophobicContact CD1-CD1 3.56Å; L445-L480 HydrophobicContact CD2-CD1 3.84Å; L445-L480 HydrophobicContact CG-CD1 4.34Å; V450-L480 HydrophobicContact CG1-CD1 4.2Å; P451-L480 PolarHBondContact O-N 2.91Å; A452-L480 VanDerWaalsContact CA-O 3.32Å; A452-L480 WeakPolarHBondContact CA-O 3.25Å; A452-L480 HydrophobicContact CB-CB 4.04Å; A453-L480 PolarHBondContact N-O 3.44Å; L480-Y482 HydrophobicContact CB-CE2 4.17Å
481	L	96	Very high	89.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	111.7	172.8	178.8	66.8	0	0	0	109.5	L427 T428 V429 V430 L455 V467 L471 L478 V483 L494	L427-L481 HydrophobicContact CD1-CB 4Å; L427-L481 HydrophobicContact CD2-CB 4.01Å; L427-L481 HydrophobicContact CD2-CD2 4.12Å; L427-L481 HydrophobicContact CG-CB 4.25Å; T428-L481 PolarHBondContact O-N 2.79Å; V429-L481 WeakPolarHBondContact CA-O 3.34Å; V430-L481 PolarHBondContact N-O 3.32Å; L455-L481 HydrophobicContact CD1-CD1 4.24Å; L455-L481 HydrophobicContact CD1-CD2 4.38Å; L455-L481 HydrophobicContact CG-CD1 4.14Å; V467-L481 HydrophobicContact CG1-CD1 3.77Å; L471-L481 HydrophobicContact CD1-CD2 4.03Å; L471-L481 HydrophobicContact CD2-CD2 4.21Å; L478-L481 HydrophobicContact CD2-CB 4.19Å; L478-L481 HydrophobicContact CD2-CD1 4.27Å; L481-V483 HydrophobicContact CD2-CG1 4.18Å; L481-V483 HydrophobicContact CG-CG1 3.96Å; L481-L494 HydrophobicContact CD2-CD1 4.22Å
482	Y	95.2	Very high	89.3	Confident	1 Å²	1	49.8 Å²	49.8	0%	0.004	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	132.3	174.8	-72.8	-98.8	0	0	0	111	Y417 Q418 V430 V438 Q441 V442 L445 A453 H454 L455 L480	Y417-Y482 WeakPolarHBondContact CE2-OH 3.4Å; Y417-Y482 PolarHBondContact OH-OH 2.88Å; Q418-Y482 PolarHBondContact NE2-OH 3.1Å; V430-Y482 HydrophobicContact CB-CD1 3.69Å; V430-Y482 HydrophobicContact CB-CE1 3.8Å; V430-Y482 HydrophobicContact CB-CG 4.16Å; V430-Y482 HydrophobicContact CG1-CD1 3.72Å; V430-Y482 HydrophobicContact CG1-CE1 3.55Å; V430-Y482 HydrophobicContact CG2-CD1 4.41Å; V430-Y482 HydrophobicContact CG2-CE1 4.16Å; V430-Y482 CarbonylContact O-C 3.59Å; V430-Y482 WeakPolarHBondContact O-CA 3.46Å; V438-Y482 HydrophobicContact CG1-CG 4.26Å; V438-Y482 HydrophobicContact CG2-CD1 4.21Å; Q441-Y482 HydrophobicContact CB-CE1 3.95Å; Q441-Y482 HydrophobicContact CB-CE2 4.46Å; Q441-Y482 HydrophobicContact CG-CE1 4.5Å; V442-Y482 HydrophobicContact CG2-CD2 3.47Å; V442-Y482 VanDerWaalsContact CG2-CD2 3.47Å; V442-Y482 HydrophobicContact CG2-CE2 4.03Å; V442-Y482 HydrophobicContact CG2-CG 4.07Å; L445-Y482 HydrophobicContact CD1-CE2 3.64Å; A453-Y482 PolarHBondContact O-N 3.03Å; H454-Y482 CarbonylContact C-O 3.54Å; H454-Y482 WeakPolarHBondContact CA-O 3.25Å; L455-Y482 PolarHBondContact N-O 3.19Å; L480-Y482 HydrophobicContact CB-CE2 4.17Å
483	V	93.4	Very high	89.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.4	-179.2	-58	0	0	0	0	110.4	V429 V430 I431 S432 L455 L481 I488 L494	V429-V483 HydrophobicContact CG1-CG2 3.93Å; V430-V483 PolarHBondContact O-N 2.95Å; I431-V483 WeakPolarHBondContact CA-O 3.43Å; I431-V483 HydrophobicContact CG1-CG2 4.05Å; S432-V483 PolarHBondContact N-O 3.33Å; S432-V483 VanDerWaalsContact N-O 3.08Å; L455-V483 HydrophobicContact CB-CG1 4.34Å; L481-V483 HydrophobicContact CD2-CG1 4.18Å; L481-V483 HydrophobicContact CG-CG1 3.96Å; V483-I488 HydrophobicContact CG2-CD1 3.67Å; V483-I488 HydrophobicContact CG2-CG1 3.9Å; V483-L494 HydrophobicContact CG1-CD2 4.12Å
484	T	90.6	Very high	89.7	Confident	14 Å²	14	46 Å²	46	9%	0.086	25%	0.252	C	S	.	.			trans	-91.5	152.9	170.4	73.9	0	0	0	0	109.1	T456 E486 K487 I488	T456-T484 HydrophobicContact CG2-CG2 4.01Å; T484-E486 VanDerWaalsContact C-N 3.29Å; T484-E486 WeakPolarHBondContact CB-OE2 3.43Å; T484-E486 PolarHBondContact O-N 3.3Å; T484-E486 PolarHBondContact OG1-OE2 2.81Å; T484-K487 WeakPolarHBondContact O-CB 3.32Å; T484-K487 PolarHBondContact O-N 3.39Å; T484-K487 VanDerWaalsContact O-N 3.09Å; T484-I488 PolarHBondContact O-N 3.33Å
485	P	88.9	Confident	90.2	Very high	1 Å²	1	44 Å²	44	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-33.8	-173	30.1	-39.4	0	0	0	112.4	I431 K487 I488 A489 D528 Y529 L532	I431-P485 HydrophobicContact CG2-CB 4.11Å; P485-K487 PolarHBondContact O-N 2.55Å; P485-I488 PolarHBondContact O-N 3.03Å; P485-I488 VanDerWaalsContact O-N 3.13Å; P485-A489 PolarHBondContact O-N 3.42Å; P485-A489 VanDerWaalsContact O-N 3.08Å; P485-D528 HydrophobicContact CB-CB 3.84Å; P485-D528 HydrophobicContact CG-CB 3.93Å; P485-Y529 HydrophobicContact CB-CD2 3.89Å; P485-Y529 HydrophobicContact CB-CE2 4.08Å; P485-Y529 HydrophobicContact CG-CD2 3.64Å; P485-Y529 HydrophobicContact CG-CE2 3.62Å; P485-L532 HydrophobicContact CB-CD2 4.19Å
486	E	87.7	Confident	90.5	Very high	68 Å²	68	40 Å²	40	32%	0.318	21%	0.212	S	C	.	.	H	α-helix	trans	-63.8	-32.8	177.1	-36.7	75.4	-168.3	0	0	110.3	T484 A489 A490 D528	T484-E486 VanDerWaalsContact C-N 3.29Å; T484-E486 WeakPolarHBondContact CB-OE2 3.43Å; T484-E486 PolarHBondContact O-N 3.3Å; T484-E486 PolarHBondContact OG1-OE2 2.81Å; E486-A489 PolarHBondContact O-N 3.24Å; E486-A490 VanDerWaalsContact O-CB 3.32Å; E486-A490 WeakPolarHBondContact O-CB 3.41Å; E486-A490 PolarHBondContact O-N 2.78Å; E486-D528 HydrophobicContact CG-CB 4.26Å
487	K	88.1	Confident	90.7	Very high	55 Å²	55	39.9 Å²	39.9	24%	0.239	21%	0.212	C	C	.	.	H	α-helix	trans	-67.9	-34.1	176.3	-164.5	69.6	177.8	-173.4	0	112.3	L455 T484 P485 S491 L494	L455-K487 HydrophobicContact CB-CG 4.4Å; T484-K487 WeakPolarHBondContact O-CB 3.32Å; T484-K487 PolarHBondContact O-N 3.39Å; T484-K487 VanDerWaalsContact O-N 3.09Å; P485-K487 PolarHBondContact O-N 2.55Å; K487-S491 WeakPolarHBondContact O-CB 3.49Å; K487-S491 PolarHBondContact O-N 2.76Å; K487-S491 VanDerWaalsContact O-N 3.11Å; K487-L494 HydrophobicContact CG-CD2 4.09Å
488	I	88.7	Confident	90.8	Very high	7 Å²	7	31 Å²	31	4%	0.036	18%	0.179	C	C	.	.	H	α-helix	trans	-69.6	-43.1	172.9	-69.5	177.3	0	0	0	110.4	I431 V483 T484 P485 L494 K495 L532 I534 L535	I431-I488 HydrophobicContact CD1-CD1 4.14Å; I431-I488 HydrophobicContact CG1-CD1 3.4Å; I431-I488 VanDerWaalsContact CG1-CD1 3.4Å; V483-I488 HydrophobicContact CG2-CD1 3.67Å; V483-I488 HydrophobicContact CG2-CG1 3.9Å; T484-I488 PolarHBondContact O-N 3.33Å; P485-I488 PolarHBondContact O-N 3.03Å; P485-I488 VanDerWaalsContact O-N 3.13Å; I488-L494 HydrophobicContact CG1-CD2 4.29Å; I488-K495 WeakPolarHBondContact O-CE 3.43Å; I488-L532 HydrophobicContact CD1-CD2 3.99Å; I488-L532 HydrophobicContact CG2-CD2 4.43Å; I488-I534 HydrophobicContact CG2-CG2 4.45Å; I488-L535 HydrophobicContact CD1-CD1 4.19Å; I488-L535 HydrophobicContact CD1-CD2 4.39Å; I488-L535 HydrophobicContact CG2-CD2 4.02Å
489	A	83.7	Confident	90.9	Very high	37 Å²	37	33.9 Å²	33.9	31%	0.306	19%	0.192	S	C	.	.	H	α-helix	trans	-63.9	-49.4	178.9	0	0	0	0	0	112.2	P485 E486 K495	P485-A489 PolarHBondContact O-N 3.42Å; P485-A489 VanDerWaalsContact O-N 3.08Å; E486-A489 PolarHBondContact O-N 3.24Å; A489-K495 VanDerWaalsContact O-CE 3.27Å; A489-K495 WeakPolarHBondContact O-CE 3.16Å; A489-K495 PolarHBondContact O-NZ 3.38Å
490	A	83.8	Confident	90.7	Very high	79 Å²	79	35.5 Å²	35.5	65%	0.653	20%	0.2	S	C	*	.	H	α-helix	trans	-94	-16.3	-168.3	0	0	0	0	0	115.9	E486	E486-A490 VanDerWaalsContact O-CB 3.32Å; E486-A490 WeakPolarHBondContact O-CB 3.41Å; E486-A490 PolarHBondContact O-N 2.78Å
491	S	87.5	Confident	90.6	Very high	19 Å²	19	35.7 Å²	35.7	13%	0.133	20%	0.201	C	C	.	.			trans	-105.6	93.1	-170.4	-154.2	0	0	0	0	113.6	K487 K493 L494 K495	K487-S491 WeakPolarHBondContact O-CB 3.49Å; K487-S491 PolarHBondContact O-N 2.76Å; K487-S491 VanDerWaalsContact O-N 3.11Å; S491-K493 VanDerWaalsContact C-N 3.27Å; S491-K493 PolarHBondContact O-N 3.18Å; S491-L494 WeakPolarHBondContact O-CB 3.45Å; S491-L494 PolarHBondContact O-N 2.99Å; S491-K495 PolarHBondContact O-N 2.86Å; S491-K495 VanDerWaalsContact O-N 3.12Å
492	D	87.6	Confident	90.5	Very high	112 Å²	112	38.3 Å²	38.3	60%	0.599	21%	0.211	S	C	*	.	H	α-helix	trans	-64.4	-29.7	178.7	-59.2	-41.4	0	0	0	113.3	L494 K495 G496	D492-L494 VanDerWaalsContact C-N 3.29Å; D492-L494 PolarHBondContact O-N 3.48Å; D492-K495 PolarHBondContact O-N 3.03Å; D492-K495 WeakPolarHBondContact OD1-CD 3.37Å; D492-K495 WeakPolarHBondContact OD1-CE 3.36Å; D492-K495 IonicContact OD1-NZ 3.83Å; D492-K495 PolarHBondContact OD1-NZ 3.15Å; D492-G496 PolarHBondContact O-N 2.82Å
493	K	90.7	Very high	90.4	Very high	104 Å²	104	45 Å²	45	45%	0.452	24%	0.24	S	C	.	.	H	α-helix	trans	-56.1	-43.1	169.2	-171.9	174.2	177.4	-179.4	0	111.2	D465 Y468 S491 C497	D465-K493 IonicContact OD1-NZ 2.82Å; D465-K493 PolarHBondContact OD1-NZ 3.48Å; Y468-K493 HydrophobicContact CD1-CD 4.48Å; Y468-K493 HydrophobicContact CD1-CG 4.22Å; Y468-K493 HydrophobicContact CD2-CD 3.88Å; Y468-K493 HydrophobicContact CD2-CG 4.47Å; Y468-K493 HydrophobicContact CE1-CB 4.49Å; Y468-K493 HydrophobicContact CE1-CD 4.31Å; Y468-K493 HydrophobicContact CE1-CG 3.89Å; Y468-K493 HydrophobicContact CE2-CD 3.64Å; Y468-K493 HydrophobicContact CE2-CG 4.13Å; Y468-K493 HydrophobicContact CG-CD 4.29Å; S491-K493 VanDerWaalsContact C-N 3.27Å; S491-K493 PolarHBondContact O-N 3.18Å; K493-C497 PolarHBondContact O-N 3.05Å; K493-C497 VanDerWaalsContact O-N 3.1Å; K493-C497 PolarHBondContact O-SG 3.06Å
494	L	91.6	Very high	90.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-67.7	-44	175.3	179.2	59.9	0	0	0	111.8	L455 Y468 L481 V483 K487 I488 S491 D492 G496 C497 L498	L455-L494 HydrophobicContact CD1-CD1 3.99Å; Y468-L494 HydrophobicContact CE1-CB 4.42Å; L481-L494 HydrophobicContact CD2-CD1 4.22Å; V483-L494 HydrophobicContact CG1-CD2 4.12Å; K487-L494 HydrophobicContact CG-CD2 4.09Å; I488-L494 HydrophobicContact CG1-CD2 4.29Å; S491-L494 WeakPolarHBondContact O-CB 3.45Å; S491-L494 PolarHBondContact O-N 2.99Å; D492-L494 VanDerWaalsContact C-N 3.29Å; D492-L494 PolarHBondContact O-N 3.48Å; L494-G496 VanDerWaalsContact C-N 3.34Å; L494-G496 PolarHBondContact O-N 2.95Å; L494-C497 PolarHBondContact O-N 3.28Å; L494-L498 HydrophobicContact CD1-CD1 4.35Å; L494-L498 HydrophobicContact CD1-CG 4.17Å; L494-L498 HydrophobicContact CG-CD1 4.19Å; L494-L498 HydrophobicContact CG-CG 4.43Å; L494-L498 WeakPolarHBondContact O-CG 3.46Å; L494-L498 PolarHBondContact O-N 3.41Å
495	K	90.8	Very high	90.4	Very high	53 Å²	53	57.7 Å²	57.7	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-56.6	-47.5	176.9	-60.7	173.5	-162	160.9	0	111.2	I488 A489 S491 D492 C497 L498 E499	I488-K495 WeakPolarHBondContact O-CE 3.43Å; A489-K495 VanDerWaalsContact O-CE 3.27Å; A489-K495 WeakPolarHBondContact O-CE 3.16Å; A489-K495 PolarHBondContact O-NZ 3.38Å; S491-K495 PolarHBondContact O-N 2.86Å; S491-K495 VanDerWaalsContact O-N 3.12Å; D492-K495 PolarHBondContact O-N 3.03Å; D492-K495 WeakPolarHBondContact OD1-CD 3.37Å; D492-K495 WeakPolarHBondContact OD1-CE 3.36Å; D492-K495 IonicContact OD1-NZ 3.83Å; D492-K495 PolarHBondContact OD1-NZ 3.15Å; K495-C497 PolarHBondContact O-N 3.45Å; K495-L498 PolarHBondContact O-N 2.78Å; K495-E499 PolarHBondContact O-N 3.39Å
496	G	91.6	Very high	90.7	Very high	37 Å²	37	62 Å²	62	38%	0.381	31%	0.308	S	S	.	.	H	α-helix	trans	-62.4	-39.3	176.3	0	0	0	0	0	113.9	D492 L494 Q500	D492-G496 PolarHBondContact O-N 2.82Å; L494-G496 VanDerWaalsContact C-N 3.34Å; L494-G496 PolarHBondContact O-N 2.95Å; G496-Q500 WeakPolarHBondContact O-CB 3.49Å; G496-Q500 PolarHBondContact O-N 2.95Å
497	C	92.2	Very high	91	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.034	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-42.3	172.4	-66	0	0	0	0	112.2	Y468 H472 K493 L494 K495 Q500 L501	Y468-C497 VanDerWaalsContact CD1-SG 3.59Å; H472-C497 PolarHBondContact NE2-SG 3.04Å; H472-C497 VanDerWaalsContact NE2-SG 3.36Å; K493-C497 PolarHBondContact O-N 3.05Å; K493-C497 VanDerWaalsContact O-N 3.1Å; K493-C497 PolarHBondContact O-SG 3.06Å; L494-C497 PolarHBondContact O-N 3.28Å; K495-C497 PolarHBondContact O-N 3.45Å; C497-Q500 PolarHBondContact O-N 2.89Å; C497-L501 WeakPolarHBondContact O-CG 3.26Å; C497-L501 PolarHBondContact O-N 2.85Å
498	L	94.1	Very high	91.4	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-65.5	-43.4	177.7	-67.8	176.4	0	0	0	111.8	V429 L494 K495 Q500 L501 Y502 L507 F510 F539	V429-L498 HydrophobicContact CG2-CD2 3.75Å; L494-L498 HydrophobicContact CD1-CD1 4.35Å; L494-L498 HydrophobicContact CD1-CG 4.17Å; L494-L498 HydrophobicContact CG-CD1 4.19Å; L494-L498 HydrophobicContact CG-CG 4.43Å; L494-L498 WeakPolarHBondContact O-CG 3.46Å; L494-L498 PolarHBondContact O-N 3.41Å; K495-L498 PolarHBondContact O-N 2.78Å; L498-Q500 VanDerWaalsContact C-N 3.31Å; L498-Q500 PolarHBondContact O-N 2.66Å; L498-L501 PolarHBondContact O-N 3.47Å; L498-Y502 WeakPolarHBondContact O-CB 3.41Å; L498-Y502 PolarHBondContact O-N 2.67Å; L498-L507 HydrophobicContact CD2-CD1 4.11Å; L498-F510 HydrophobicContact CD1-CE1 4.45Å; L498-F539 HydrophobicContact CB-CE1 4.5Å; L498-F539 HydrophobicContact CB-CE2 4.25Å; L498-F539 HydrophobicContact CB-CZ 3.79Å
499	E	93.8	Very high	91.8	Very high	75 Å²	75	57.4 Å²	57.4	35%	0.35	29%	0.288	S	S	.	.	H	α-helix	trans	-56.9	-43.8	170.5	-81	-172.7	-134.3	0	0	112.6	K495 L501 Y502 K503 F539	K495-E499 PolarHBondContact O-N 3.39Å; E499-L501 VanDerWaalsContact C-N 3.32Å; E499-L501 PolarHBondContact O-N 2.86Å; E499-Y502 PolarHBondContact O-N 3.04Å; E499-K503 WeakPolarHBondContact O-CB 3.43Å; E499-K503 WeakPolarHBondContact O-CD 3.44Å; E499-K503 WeakPolarHBondContact O-CG 3.14Å; E499-K503 PolarHBondContact O-N 2.6Å; E499-K503 IonicContact OE2-NZ 2.97Å; E499-K503 PolarHBondContact OE2-NZ 3.26Å; E499-F539 HydrophobicContact CG-CE1 4Å; E499-F539 HydrophobicContact CG-CZ 4.27Å
500	Q	92.4	Very high	92.4	Very high	72 Å²	72	55.7 Å²	55.7	34%	0.336	27%	0.273	S	S	.	.	H	α-helix	trans	-66.6	-35.1	179.2	179.3	60.8	107.3	0	0	111.8	G496 C497 L498 R504	G496-Q500 WeakPolarHBondContact O-CB 3.49Å; G496-Q500 PolarHBondContact O-N 2.95Å; C497-Q500 PolarHBondContact O-N 2.89Å; L498-Q500 VanDerWaalsContact C-N 3.31Å; L498-Q500 PolarHBondContact O-N 2.66Å; Q500-R504 VanDerWaalsContact CD-NE 3.34Å; Q500-R504 VanDerWaalsContact NE2-NE 3.16Å; Q500-R504 WeakPolarHBondContact O-CB 3.42Å; Q500-R504 WeakPolarHBondContact O-CD 3.47Å; Q500-R504 WeakPolarHBondContact O-CG 3.46Å; Q500-R504 PolarHBondContact O-N 3.28Å
501	L	93.9	Very high	93.1	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-71.1	-40.3	174.1	-71.9	168	0	0	0	112.3	L427 L471 L476 C497 L498 E499 R504 K505 R506 L507	L427-L501 HydrophobicContact CD2-CD1 3.79Å; L471-L501 HydrophobicContact CD2-CD1 3.91Å; L476-L501 HydrophobicContact CD1-CD2 4.32Å; L476-L501 HydrophobicContact CD2-CD2 4.35Å; C497-L501 WeakPolarHBondContact O-CG 3.26Å; C497-L501 PolarHBondContact O-N 2.85Å; L498-L501 PolarHBondContact O-N 3.47Å; E499-L501 VanDerWaalsContact C-N 3.32Å; E499-L501 PolarHBondContact O-N 2.86Å; L501-R504 CarbonylContact O-C 3.03Å; L501-R504 PolarHBondContact O-N 2.59Å; L501-R504 VanDerWaalsContact O-N 3.16Å; L501-K505 PolarHBondContact O-N 2.65Å; L501-K505 VanDerWaalsContact O-N 3.15Å; L501-R506 HydrophobicContact CD2-CB 3.88Å; L501-R506 PolarHBondContact O-N 3.15Å; L501-L507 HydrophobicContact CB-CB 4.2Å
502	Y	94.8	Very high	93.5	Very high	55 Å²	55	51 Å²	51	22%	0.216	24%	0.236	C	C	.	.	H	α-helix	trans	-60	-50.7	173.6	-176.3	-117.9	0	0	0	111.3	L498 E499 R504 K505 F539 P540 D541 V542	L498-Y502 WeakPolarHBondContact O-CB 3.41Å; L498-Y502 PolarHBondContact O-N 2.67Å; E499-Y502 PolarHBondContact O-N 3.04Å; Y502-R504 PolarHBondContact O-N 3.46Å; Y502-R504 VanDerWaalsContact O-N 3.11Å; Y502-K505 PolarHBondContact O-N 3.18Å; Y502-F539 AromaticContact CD1-CD1 3.86Å; Y502-F539 HydrophobicContact CD1-CD1 3.86Å; Y502-F539 HydrophobicContact CD1-CE1 4.48Å; Y502-F539 HydrophobicContact CD2-CB 4.34Å; Y502-F539 HydrophobicContact CD2-CD1 4.12Å; Y502-F539 HydrophobicContact CE1-CD1 4.39Å; Y502-F539 HydrophobicContact CE2-CB 4.26Å; Y502-F539 AromaticContact CG-CD1 3.7Å; Y502-F539 HydrophobicContact CG-CD1 3.7Å; Y502-F539 HydrophobicContact CG-CE1 4.38Å; Y502-P540 WeakPolarHBondContact OH-CD 3.27Å; Y502-D541 HydrophobicContact CE2-CB 4.17Å; Y502-D541 PolarHBondContact OH-N 3.08Å; Y502-D541 PolarHBondContact OH-OD2 3.26Å; Y502-V542 HydrophobicContact CD2-CG2 3.6Å; Y502-V542 HydrophobicContact CE2-CG2 3.65Å
503	K	93	Very high	93.8	Very high	141 Å²	141	46.3 Å²	46.3	61%	0.613	21%	0.211	S	C	*	.	H	α-helix	trans	-58.1	-24.4	174.7	-70.4	162.7	-171.6	164.7	0	113.1	E499	E499-K503 WeakPolarHBondContact O-CB 3.43Å; E499-K503 WeakPolarHBondContact O-CD 3.44Å; E499-K503 WeakPolarHBondContact O-CG 3.14Å; E499-K503 PolarHBondContact O-N 2.6Å; E499-K503 IonicContact OE2-NZ 2.97Å; E499-K503 PolarHBondContact OE2-NZ 3.26Å
504	R	91.8	Very high	93.8	Very high	94 Å²	94	42.9 Å²	42.9	36%	0.355	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.1	175.3	-70.9	170.3	-172.7	-169.3	3.3	114.2	H472 Q500 L501 Y502 R506	H472-R504 PolarHBondContact O-NH1 3.23Å; Q500-R504 VanDerWaalsContact CD-NE 3.34Å; Q500-R504 VanDerWaalsContact NE2-NE 3.16Å; Q500-R504 WeakPolarHBondContact O-CB 3.42Å; Q500-R504 WeakPolarHBondContact O-CD 3.47Å; Q500-R504 WeakPolarHBondContact O-CG 3.46Å; Q500-R504 PolarHBondContact O-N 3.28Å; L501-R504 CarbonylContact O-C 3.03Å; L501-R504 PolarHBondContact O-N 2.59Å; L501-R504 VanDerWaalsContact O-N 3.16Å; Y502-R504 PolarHBondContact O-N 3.46Å; Y502-R504 VanDerWaalsContact O-N 3.11Å; R504-R506 VanDerWaalsContact C-N 3.34Å; R504-R506 HydrophobicContact CB-CB 4.45Å; R504-R506 HydrophobicContact CB-CG 3.96Å; R504-R506 PolarHBondContact O-N 3.06Å
505	K	92.7	Very high	93.8	Very high	187 Å²	187	42.9 Å²	42.9	81%	0.813	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	48.9	-168.2	-58.1	-169.2	177.6	-168.6	0	112.6	L501 Y502	L501-K505 PolarHBondContact O-N 2.65Å; L501-K505 VanDerWaalsContact O-N 3.15Å; Y502-K505 PolarHBondContact O-N 3.18Å
506	R	94	Very high	93.8	Very high	92 Å²	92	40.5 Å²	40.5	35%	0.347	19%	0.186	S	C	.	.			trans	-124.1	18.7	177.8	-61.5	-59.7	-171.6	-179.9	2.8	113.2	S425 G426 L427 L501 R504	S425-R506 PolarHBondContact OG-NH1 2.81Å; G426-R506 WeakPolarHBondContact CA-O 3.45Å; L427-R506 PolarHBondContact N-O 3.23Å; L501-R506 HydrophobicContact CD2-CB 3.88Å; L501-R506 PolarHBondContact O-N 3.15Å; R504-R506 VanDerWaalsContact C-N 3.34Å; R504-R506 HydrophobicContact CB-CB 4.45Å; R504-R506 HydrophobicContact CB-CG 3.96Å; R504-R506 PolarHBondContact O-N 3.06Å
507	L	95	Very high	93.7	Very high	12 Å²	12	38.8 Å²	38.8	6%	0.063	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	100.2	176.3	-178.7	60.1	0	0	0	106.9	V429 L498 L501 F510 F539 V542	V429-L507 HydrophobicContact CG2-CD1 3.68Å; L498-L507 HydrophobicContact CD2-CD1 4.11Å; L501-L507 HydrophobicContact CB-CB 4.2Å; L507-F510 HydrophobicContact CD1-CZ 4.38Å; L507-F510 HydrophobicContact CD2-CE2 4.11Å; L507-F510 HydrophobicContact CD2-CZ 3.79Å; L507-F510 HydrophobicContact CG-CZ 4.41Å; L507-F539 HydrophobicContact CD2-CD1 4.41Å; L507-F539 HydrophobicContact CD2-CG 4.4Å; L507-V542 HydrophobicContact CD2-CG2 4.09Å; L507-V542 HydrophobicContact CG-CG1 4.33Å; L507-V542 HydrophobicContact CG-CG2 4.09Å
508	D	95.6	Very high	93.5	Very high	20 Å²	20	38.6 Å²	38.6	11%	0.107	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-30.5	-162.7	-64.3	9.3	0	0	0	111.8	Q424 S425 G426 L427 P543	Q424-D508 HydrophobicContact CB-CB 4.36Å; Q424-D508 WeakPolarHBondContact CB-OD2 3.35Å; S425-D508 PolarHBondContact N-OD2 3.5Å; S425-D508 VanDerWaalsContact N-OD2 3.11Å; G426-D508 VanDerWaalsContact CA-OD1 3.23Å; G426-D508 WeakPolarHBondContact CA-OD1 3.43Å; G426-D508 WeakPolarHBondContact CA-OD2 3.21Å; G426-D508 PolarHBondContact N-OD1 3.19Å; G426-D508 PolarHBondContact N-OD2 2.76Å; L427-D508 PolarHBondContact O-N 2.84Å; D508-P543 WeakPolarHBondContact O-CD 3.49Å; D508-P543 VanDerWaalsContact O-CG 3.31Å; D508-P543 WeakPolarHBondContact O-CG 3.37Å
509	R	97	Very high	93.2	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	148.4	-178.3	-156.2	165.3	-54.5	-72.7	-27	113.8	A397 D400 R401 T428 V429 V511 P543	A397-R509 PolarHBondContact O-NH1 2.77Å; A397-R509 PolarHBondContact O-NH2 3.44Å; D400-R509 IonicContact OD1-NH2 2.86Å; D400-R509 PolarHBondContact OD1-NH2 2.72Å; R401-R509 PolarHBondContact O-NH1 2.82Å; T428-R509 HydrophobicContact CG2-CB 4.15Å; V429-R509 PolarHBondContact N-O 2.99Å; R509-V511 HydrophobicContact CG-CG2 4.37Å; R509-P543 WeakPolarHBondContact CA-O 3.36Å; R509-P543 HydrophobicContact CG-CG 4.39Å; R509-P543 WeakPolarHBondContact CG-O 3.37Å; R509-P543 VanDerWaalsContact NH1-CG 3.34Å
510	F	97.5	Very high	92.6	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.1	157.8	-70.5	-69.9	0	0	0	110.6	V429 I431 L498 L507 L535 F539 V542 P543 M544 M545	V429-F510 HydrophobicContact CB-CD1 3.88Å; V429-F510 HydrophobicContact CB-CE1 4.01Å; V429-F510 HydrophobicContact CG1-CD1 4.15Å; V429-F510 HydrophobicContact CG1-CE1 4.18Å; V429-F510 HydrophobicContact CG2-CE1 4.34Å; I431-F510 HydrophobicContact CD1-CD1 4.13Å; L498-F510 HydrophobicContact CD1-CE1 4.45Å; L507-F510 HydrophobicContact CD1-CZ 4.38Å; L507-F510 HydrophobicContact CD2-CE2 4.11Å; L507-F510 HydrophobicContact CD2-CZ 3.79Å; L507-F510 HydrophobicContact CG-CZ 4.41Å; F510-L535 HydrophobicContact CD1-CD1 3.87Å; F510-L535 HydrophobicContact CD1-CD2 4.36Å; F510-L535 HydrophobicContact CD2-CB 4.34Å; F510-L535 HydrophobicContact CE1-CD1 4.18Å; F510-L535 HydrophobicContact CE1-CD2 3.81Å; F510-L535 HydrophobicContact CE1-CG 4.45Å; F510-L535 HydrophobicContact CE2-CB 4.31Å; F510-L535 HydrophobicContact CG-CD1 4.18Å; F510-L535 HydrophobicContact CZ-CB 4.48Å; F510-L535 HydrophobicContact CZ-CD2 3.92Å; F510-F539 HydrophobicContact CE2-CB 3.82Å; F510-F539 AromaticContact CE2-CD2 3.6Å; F510-F539 HydrophobicContact CE2-CD2 3.6Å; F510-F539 AromaticContact CE2-CG 3.99Å; F510-F539 HydrophobicContact CE2-CG 3.99Å; F510-F539 HydrophobicContact CZ-CB 4.48Å; F510-F539 AromaticContact CZ-CD2 3.46Å; F510-F539 HydrophobicContact CZ-CD2 3.46Å; F510-F539 VanDerWaalsContact CZ-CD2 3.46Å; F510-F539 AromaticContact CZ-CE2 3.95Å; F510-F539 HydrophobicContact CZ-CE2 3.95Å; F510-F539 HydrophobicContact CZ-CG 4.16Å; F510-V542 HydrophobicContact CD2-CB 3.99Å; F510-V542 HydrophobicContact CD2-CG1 3.55Å; F510-V542 HydrophobicContact CE2-CB 3.99Å; F510-V542 HydrophobicContact CE2-CG1 3.81Å; F510-V542 HydrophobicContact CE2-CG2 4.3Å; F510-V542 HydrophobicContact CG-CG1 4.43Å; F510-P543 PolarHBondContact N-O 3.26Å; F510-M544 HydrophobicContact CB-CG 4.42Å; F510-M544 CarbonylContact O-C 3.24Å; F510-M544 VanDerWaalsContact O-CA 3.32Å; F510-M544 WeakPolarHBondContact O-CA 3.21Å; F510-M545 PolarHBondContact O-N 2.78Å
511	V	97.6	Very high	91.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.5	174.8	-178.7	0	0	0	0	108	Y417 T428 V429 V430 I431 R509 M545 M547	Y417-V511 HydrophobicContact CD1-CG1 3.72Å; Y417-V511 HydrophobicContact CD1-CG2 4.5Å; Y417-V511 HydrophobicContact CD2-CG1 4.39Å; Y417-V511 HydrophobicContact CD2-CG2 4.13Å; Y417-V511 HydrophobicContact CE1-CG1 4.08Å; Y417-V511 HydrophobicContact CG-CB 4.41Å; Y417-V511 HydrophobicContact CG-CG1 3.88Å; Y417-V511 HydrophobicContact CG-CG2 3.83Å; T428-V511 HydrophobicContact CG2-CG2 3.6Å; V429-V511 PolarHBondContact O-N 3.29Å; V430-V511 HydrophobicContact CB-CB 4.41Å; V430-V511 HydrophobicContact CG1-CB 4.18Å; V430-V511 HydrophobicContact CG1-CG1 4.16Å; V430-V511 HydrophobicContact CG2-CB 4.2Å; V430-V511 HydrophobicContact CG2-CG2 4.41Å; I431-V511 VanDerWaalsContact CD1-O 3.25Å; I431-V511 WeakPolarHBondContact CD1-O 3.29Å; I431-V511 PolarHBondContact N-O 3.14Å; R509-V511 HydrophobicContact CG-CG2 4.37Å; V511-M545 CarbonylContact C-O 3.54Å; V511-M545 WeakPolarHBondContact CA-O 3.31Å; V511-M545 HydrophobicContact CG2-CB 4.42Å; V511-M547 HydrophobicContact CG1-CG 4.3Å; V511-M547 HydrophobicContact CG1-SD 4.22Å
512	I	96	Very high	90.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	96.1	176.4	-62	-179.6	0	0	0	107.1	I431 A515 Y529 L532 M544 M545 M547 L563	I431-I512 HydrophobicContact CB-CG1 4.49Å; I431-I512 HydrophobicContact CD1-CG1 4.11Å; I512-A515 HydrophobicContact CG2-CB 3.94Å; I512-Y529 HydrophobicContact CG2-CD1 4Å; I512-Y529 HydrophobicContact CG2-CE1 3.65Å; I512-L532 HydrophobicContact CD1-CB 4.21Å; I512-L532 HydrophobicContact CD1-CD1 4.01Å; I512-L532 HydrophobicContact CG1-CD1 4.36Å; I512-L532 HydrophobicContact CG2-CD1 4.13Å; I512-M544 HydrophobicContact CD1-CE 4.3Å; I512-M544 HydrophobicContact CD1-CG 4.35Å; I512-M544 HydrophobicContact CD1-SD 3.68Å; I512-M545 PolarHBondContact N-O 2.82Å; I512-M547 PolarHBondContact O-N 3.08Å; I512-L563 HydrophobicContact CD1-CD1 3.84Å; I512-L563 HydrophobicContact CD1-CD2 3.52Å; I512-L563 HydrophobicContact CD1-CG 4.31Å
513	D	93.4	Very high	89.7	Confident	14 Å²	14	40.1 Å²	40.1	8%	0.075	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	145.8	176.9	-172	30.7	0	0	0	110.7	V430 I431 S432 A515 Y529	V430-D513 HydrophobicContact CG1-CB 4.47Å; I431-D513 WeakPolarHBondContact O-CB 3.41Å; I431-D513 PolarHBondContact O-N 2.87Å; S432-D513 PolarHBondContact OG-OD2 2.69Å; D513-A515 VanDerWaalsContact C-N 3.27Å; D513-A515 PolarHBondContact O-N 2.93Å; D513-Y529 WeakPolarHBondContact O-CE1 3.31Å; D513-Y529 PolarHBondContact O-OH 2.55Å
514	E	90.1	Very high	89	Confident	32 Å²	32	35.2 Å²	35.2	15%	0.15	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	40.3	50.9	-165.6	-66.4	-61	-178.4	0	0	114.3	P433 H516 C517 M547 A549	P433-E514 HydrophobicContact CG-CB 4.15Å; E514-H516 PolarHBondContact O-N 2.77Å; E514-H516 IonicContact OE2-CE1 2.59Å; E514-H516 PolarHBondContact OE2-CE1 2.74Å; E514-H516 IonicContact OE2-ND1 2.74Å; E514-H516 PolarHBondContact OE2-ND1 2.76Å; E514-C517 PolarHBondContact O-N 2.68Å; E514-C517 PolarHBondContact O-SG 3.01Å; E514-M547 CarbonylContact C-O 3.42Å; E514-M547 WeakPolarHBondContact CA-O 3.05Å; E514-M547 PolarHBondContact N-O 2.86Å; E514-A549 PolarHBondContact OE2-N 2.17Å
515	A	92.9	Very high	88.5	Confident	0 Å²	0	34 Å²	34	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-54	-11.2	-179.7	0	0	0	0	0	115.2	I512 D513 C517 V518 A546 M547 I559	I512-A515 HydrophobicContact CG2-CB 3.94Å; D513-A515 VanDerWaalsContact C-N 3.27Å; D513-A515 PolarHBondContact O-N 2.93Å; A515-C517 PolarHBondContact O-N 3.12Å; A515-V518 WeakPolarHBondContact O-CB 3.45Å; A515-V518 VanDerWaalsContact O-CG2 3.25Å; A515-V518 WeakPolarHBondContact O-CG2 3.22Å; A515-V518 PolarHBondContact O-N 3.32Å; A515-V518 VanDerWaalsContact O-N 3.15Å; A515-A546 HydrophobicContact CB-CB 4.08Å; A515-M547 WeakPolarHBondContact CB-O 3.24Å; A515-M547 PolarHBondContact N-O 2.86Å; A515-I559 HydrophobicContact CB-CD1 4.41Å; A515-I559 HydrophobicContact CB-CG2 4.15Å; A515-I559 WeakPolarHBondContact O-CD1 3.48Å; A515-I559 WeakPolarHBondContact O-CG1 3.15Å
516	H	89.3	Confident	88.1	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.019	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-59.5	-23.6	169.1	69.8	-93.7	0	0	0	113.1	E514 V518 S519 H523 V555 Q693	E514-H516 PolarHBondContact O-N 2.77Å; E514-H516 IonicContact OE2-CE1 2.59Å; E514-H516 PolarHBondContact OE2-CE1 2.74Å; E514-H516 IonicContact OE2-ND1 2.74Å; E514-H516 PolarHBondContact OE2-ND1 2.76Å; H516-V518 PolarHBondContact O-N 2.9Å; H516-S519 PolarHBondContact O-N 3.35Å; H516-H523 AromaticContact CD2-CE1 3.24Å; H516-H523 PolarHBondContact CD2-CE1 3.1Å; H516-H523 AromaticContact CD2-ND1 3.79Å; H516-H523 AromaticContact CD2-NE2 3.88Å; H516-H523 AromaticContact CE1-CE1 3.91Å; H516-H523 AromaticContact NE2-CE1 3.14Å; H516-H523 PolarHBondContact NE2-CE1 3.44Å; H516-H523 AromaticContact NE2-NE2 3.38Å; H516-H523 PolarHBondContact NE2-NE2 3.08Å; H516-V555 HydrophobicContact CB-CG1 4.32Å; H516-Q693 PolarHBondContact CE1-NE2 2.8Å; H516-Q693 VanDerWaalsContact CE1-NE2 3.34Å
517	C	89.6	Confident	87.6	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-64.4	-19.8	175.5	-55.8	0	0	0	0	113.9	E514 A515 S519 D524 F525 R526 Y529	E514-C517 PolarHBondContact O-N 2.68Å; E514-C517 PolarHBondContact O-SG 3.01Å; A515-C517 PolarHBondContact O-N 3.12Å; C517-S519 VanDerWaalsContact C-N 3.3Å; C517-S519 PolarHBondContact O-N 3.02Å; C517-D524 VanDerWaalsContact CA-O 3.31Å; C517-D524 WeakPolarHBondContact CA-O 3.3Å; C517-D524 WeakPolarHBondContact CB-O 3.46Å; C517-D524 PolarHBondContact SG-O 3.11Å; C517-D524 VanDerWaalsContact SG-O 3.38Å; C517-F525 WeakPolarHBondContact O-CD2 3.43Å; C517-R526 HydrophobicContact CB-CB 4.17Å; C517-R526 HydrophobicContact CB-CG 4.12Å; C517-R526 PolarHBondContact O-N 2.61Å; C517-Y529 HydrophobicContact CB-CD1 3.9Å; C517-Y529 HydrophobicContact CB-CD2 3.86Å; C517-Y529 HydrophobicContact CB-CE1 4.1Å; C517-Y529 HydrophobicContact CB-CE2 4.11Å; C517-Y529 HydrophobicContact CB-CG 3.76Å
518	V	89.3	Confident	87.2	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-66.7	-32.2	176.5	-175.5	0	0	0	0	112.1	A515 H516 Y529 I559 Q562 L563	A515-V518 WeakPolarHBondContact O-CB 3.45Å; A515-V518 VanDerWaalsContact O-CG2 3.25Å; A515-V518 WeakPolarHBondContact O-CG2 3.22Å; A515-V518 PolarHBondContact O-N 3.32Å; A515-V518 VanDerWaalsContact O-N 3.15Å; H516-V518 PolarHBondContact O-N 2.9Å; V518-Y529 HydrophobicContact CG2-CD1 3.65Å; V518-Y529 HydrophobicContact CG2-CG 4.34Å; V518-I559 HydrophobicContact CB-CG1 4.42Å; V518-Q562 HydrophobicContact CG1-CB 3.42Å; V518-Q562 VanDerWaalsContact CG1-CB 3.42Å; V518-Q562 HydrophobicContact CG1-CG 3.86Å; V518-L563 HydrophobicContact CG1-CD2 4.29Å; V518-L563 HydrophobicContact CG1-CG 4.3Å; V518-L563 HydrophobicContact CG2-CD1 4.37Å; V518-L563 HydrophobicContact CG2-CD2 4.05Å; V518-L563 HydrophobicContact CG2-CG 4.27Å
519	S	87	Confident	86.9	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.			trans	-93.5	132.7	-170.9	-176.3	0	0	0	0	111.9	H516 C517 W521 G522 F525 D558	H516-S519 PolarHBondContact O-N 3.35Å; C517-S519 VanDerWaalsContact C-N 3.3Å; C517-S519 PolarHBondContact O-N 3.02Å; S519-W521 PolarHBondContact O-N 3.25Å; S519-W521 WeakPolarHBondContact OG-CB 3.49Å; S519-W521 PolarHBondContact OG-N 3.03Å; S519-W521 VanDerWaalsContact OG-N 3.08Å; S519-G522 PolarHBondContact O-N 3.5Å; S519-F525 VanDerWaalsContact C-CD2 3.48Å; S519-F525 WeakPolarHBondContact O-CD2 3.38Å; S519-D558 VanDerWaalsContact CA-OD2 3.32Å; S519-D558 WeakPolarHBondContact CA-OD2 3.37Å; S519-D558 VanDerWaalsContact CB-OD2 3.23Å; S519-D558 WeakPolarHBondContact CB-OD2 3.19Å; S519-D558 PolarHBondContact OG-OD2 3.42Å
520	Q	81.3	Confident	86.3	Confident	91 Å²	91	33.6 Å²	33.6	43%	0.425	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.5	168	-69.1	-177.9	-20.3	0	0	112.8	F525	Q520-F525 HydrophobicContact CB-CD2 4.45Å; Q520-F525 HydrophobicContact CG-CD1 4.15Å; Q520-F525 HydrophobicContact CG-CD2 3.88Å; Q520-F525 HydrophobicContact CG-CE1 3.94Å; Q520-F525 HydrophobicContact CG-CE2 3.65Å; Q520-F525 HydrophobicContact CG-CG 4.13Å; Q520-F525 HydrophobicContact CG-CZ 3.68Å
521	W	75	Confident	85.8	Confident	100 Å²	100	37.6 Å²	37.6	38%	0.379	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-0.1	172.2	-48.7	95.8	0	0	0	112.5	S519 K554 V555 F738	S519-W521 PolarHBondContact O-N 3.25Å; S519-W521 WeakPolarHBondContact OG-CB 3.49Å; S519-W521 PolarHBondContact OG-N 3.03Å; S519-W521 VanDerWaalsContact OG-N 3.08Å; W521-K554 HydrophobicContact CD2-CD 4.17Å; W521-K554 VanDerWaalsContact CD2-CE 3.43Å; W521-K554 VanDerWaalsContact CD2-NZ 3.27Å; W521-K554 HydrophobicContact CE3-CD 4.35Å; W521-K554 HydrophobicContact CG-CD 4.26Å; W521-K554 VanDerWaalsContact CZ2-NZ 3.32Å; W521-V555 VanDerWaalsContact C-CG2 3.47Å; W521-V555 HydrophobicContact CB-CG2 3.92Å; W521-V555 WeakPolarHBondContact O-CG2 3.32Å; W521-F738 HydrophobicContact CB-CZ 4.25Å; W521-F738 HydrophobicContact CE3-CB 4.43Å; W521-F738 HydrophobicContact CE3-CD1 4.39Å; W521-F738 AromaticContact CE3-CD2 3.51Å; W521-F738 HydrophobicContact CE3-CD2 3.51Å; W521-F738 AromaticContact CE3-CE2 3.82Å; W521-F738 HydrophobicContact CE3-CE2 3.82Å; W521-F738 AromaticContact CE3-CG 3.83Å; W521-F738 HydrophobicContact CE3-CG 3.83Å; W521-F738 HydrophobicContact CE3-CZ 4.39Å; W521-F738 HydrophobicContact CZ3-CB 4.21Å; W521-F738 AromaticContact CZ3-CD2 3.82Å; W521-F738 HydrophobicContact CZ3-CD2 3.82Å; W521-F738 HydrophobicContact CZ3-CG 4.08Å; W521-F738 WeakPolarHBondContact O-CZ 3.34Å
522	G	74.4	Confident	85.5	Confident	3 Å²	3	37.6 Å²	37.6	3%	0.031	18%	0.176	C	C	.	.	S	Bend	trans	-76.8	160	167.6	0	0	0	0	0	111.6	S519	S519-G522 PolarHBondContact O-N 3.5Å
523	H	71.3	Confident	85.2	Confident	50 Å²	50	39.8 Å²	39.8	23%	0.231	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.4	-179.7	65.1	-75.8	0	0	0	114.2	H516 T550 E689 Q693	H516-H523 AromaticContact CD2-CE1 3.24Å; H516-H523 PolarHBondContact CD2-CE1 3.1Å; H516-H523 AromaticContact CD2-ND1 3.79Å; H516-H523 AromaticContact CD2-NE2 3.88Å; H516-H523 AromaticContact CE1-CE1 3.91Å; H516-H523 AromaticContact NE2-CE1 3.14Å; H516-H523 PolarHBondContact NE2-CE1 3.44Å; H516-H523 AromaticContact NE2-NE2 3.38Å; H516-H523 PolarHBondContact NE2-NE2 3.08Å; H523-T550 PolarHBondContact CE1-OG1 3.4Å; H523-E689 HydrophobicContact CB-CB 3.87Å; H523-E689 HydrophobicContact CB-CG 4.46Å; H523-Q693 PolarHBondContact CE1-NE2 3.32Å; H523-Q693 VanDerWaalsContact NE2-CD 3.27Å; H523-Q693 PolarHBondContact NE2-NE2 3.13Å; H523-Q693 VanDerWaalsContact NE2-NE2 3.11Å; H523-Q693 PolarHBondContact NE2-OE1 3.47Å
524	D	78.8	Confident	85.1	Confident	38 Å²	38	42 Å²	42	20%	0.203	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.1	56.8	173.9	-170.4	69	0	0	0	109.4	C517 R526 M669	C517-D524 VanDerWaalsContact CA-O 3.31Å; C517-D524 WeakPolarHBondContact CA-O 3.3Å; C517-D524 WeakPolarHBondContact CB-O 3.46Å; C517-D524 PolarHBondContact SG-O 3.11Å; C517-D524 VanDerWaalsContact SG-O 3.38Å; D524-R526 VanDerWaalsContact CG-NH2 3.33Å; D524-R526 PolarHBondContact O-N 2.86Å; D524-R526 IonicContact OD1-NH2 2.77Å; D524-R526 PolarHBondContact OD1-NH2 3.38Å; D524-R526 VanDerWaalsContact OD1-NH2 3.08Å; D524-R526 IonicContact OD2-CZ 2.9Å; D524-R526 IonicContact OD2-NE 2.95Å; D524-R526 PolarHBondContact OD2-NE 2.83Å; D524-R526 IonicContact OD2-NH2 3.92Å; D524-R526 PolarHBondContact OD2-NH2 2.81Å; D524-M669 WeakPolarHBondContact OD2-CE 3.32Å
525	F	80.8	Confident	85.3	Confident	68 Å²	68	40.7 Å²	40.7	30%	0.298	19%	0.193	S	C	.	.			trans	-60.6	135.6	177.6	170.6	-112.3	0	0	0	111.3	C517 S519 Q520 P527	C517-F525 WeakPolarHBondContact O-CD2 3.43Å; S519-F525 VanDerWaalsContact C-CD2 3.48Å; S519-F525 WeakPolarHBondContact O-CD2 3.38Å; Q520-F525 HydrophobicContact CB-CD2 4.45Å; Q520-F525 HydrophobicContact CG-CD1 4.15Å; Q520-F525 HydrophobicContact CG-CD2 3.88Å; Q520-F525 HydrophobicContact CG-CE1 3.94Å; Q520-F525 HydrophobicContact CG-CE2 3.65Å; Q520-F525 HydrophobicContact CG-CG 4.13Å; Q520-F525 HydrophobicContact CG-CZ 3.68Å; F525-P527 HydrophobicContact CE1-CG 4.07Å; F525-P527 HydrophobicContact CZ-CG 4.46Å
526	R	83.3	Confident	85.3	Confident	57 Å²	57	42.4 Å²	42.4	22%	0.215	20%	0.2	C	C	.	.			trans	-127.6	119.3	177.6	-67	176.5	-176.7	-84.2	-23.2	109.9	C517 D524 D528 Y529	C517-R526 HydrophobicContact CB-CB 4.17Å; C517-R526 HydrophobicContact CB-CG 4.12Å; C517-R526 PolarHBondContact O-N 2.61Å; D524-R526 VanDerWaalsContact CG-NH2 3.33Å; D524-R526 PolarHBondContact O-N 2.86Å; D524-R526 IonicContact OD1-NH2 2.77Å; D524-R526 PolarHBondContact OD1-NH2 3.38Å; D524-R526 VanDerWaalsContact OD1-NH2 3.08Å; D524-R526 IonicContact OD2-CZ 2.9Å; D524-R526 IonicContact OD2-NE 2.95Å; D524-R526 PolarHBondContact OD2-NE 2.83Å; D524-R526 IonicContact OD2-NH2 3.92Å; D524-R526 PolarHBondContact OD2-NH2 2.81Å; R526-D528 VanDerWaalsContact C-N 3.27Å; R526-D528 PolarHBondContact O-N 3.33Å; R526-Y529 HydrophobicContact CB-CD2 3.87Å; R526-Y529 WeakPolarHBondContact O-CB 3.23Å; R526-Y529 PolarHBondContact O-N 3.39Å; R526-Y529 VanDerWaalsContact O-N 3.08Å
527	P	84.1	Confident	85.4	Confident	81 Å²	81	46.6 Å²	46.6	53%	0.526	22%	0.221	S	C	.	.	H	α-helix	trans	-50.8	-43.8	-178.9	-30	36.4	0	0	0	113.9	F525 Y529 R530	F525-P527 HydrophobicContact CE1-CG 4.07Å; F525-P527 HydrophobicContact CZ-CG 4.46Å; P527-Y529 VanDerWaalsContact C-N 3.29Å; P527-Y529 PolarHBondContact O-N 3.32Å; P527-R530 WeakPolarHBondContact O-CB 3.41Å; P527-R530 PolarHBondContact O-N 2.83Å
528	D	86.3	Confident	85.6	Confident	44 Å²	44	49.8 Å²	49.8	24%	0.235	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-27.5	-178.1	-59	-90.1	0	0	0	114.1	P485 E486 R526 R530 N531	P485-D528 HydrophobicContact CB-CB 3.84Å; P485-D528 HydrophobicContact CG-CB 3.93Å; E486-D528 HydrophobicContact CG-CB 4.26Å; R526-D528 VanDerWaalsContact C-N 3.27Å; R526-D528 PolarHBondContact O-N 3.33Å; D528-R530 PolarHBondContact O-N 3.28Å; D528-N531 WeakPolarHBondContact O-CB 3.45Å; D528-N531 PolarHBondContact O-N 3.09Å; D528-N531 VanDerWaalsContact O-N 3.1Å
529	Y	89.5	Confident	85.8	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-25.4	174	-96	-105.5	0	0	0	112.3	S432 P433 P485 I512 D513 C517 V518 R526 P527 N531 L532	S432-Y529 WeakPolarHBondContact CA-OH 3.36Å; P433-Y529 HydrophobicContact CB-CE2 3.8Å; P433-Y529 WeakPolarHBondContact CD-OH 3.36Å; P433-Y529 HydrophobicContact CG-CE2 4.49Å; P433-Y529 VanDerWaalsContact N-OH 3.12Å; P485-Y529 HydrophobicContact CB-CD2 3.89Å; P485-Y529 HydrophobicContact CB-CE2 4.08Å; P485-Y529 HydrophobicContact CG-CD2 3.64Å; P485-Y529 HydrophobicContact CG-CE2 3.62Å; I512-Y529 HydrophobicContact CG2-CD1 4Å; I512-Y529 HydrophobicContact CG2-CE1 3.65Å; D513-Y529 WeakPolarHBondContact O-CE1 3.31Å; D513-Y529 PolarHBondContact O-OH 2.55Å; C517-Y529 HydrophobicContact CB-CD1 3.9Å; C517-Y529 HydrophobicContact CB-CD2 3.86Å; C517-Y529 HydrophobicContact CB-CE1 4.1Å; C517-Y529 HydrophobicContact CB-CE2 4.11Å; C517-Y529 HydrophobicContact CB-CG 3.76Å; V518-Y529 HydrophobicContact CG2-CD1 3.65Å; V518-Y529 HydrophobicContact CG2-CG 4.34Å; R526-Y529 HydrophobicContact CB-CD2 3.87Å; R526-Y529 WeakPolarHBondContact O-CB 3.23Å; R526-Y529 PolarHBondContact O-N 3.39Å; R526-Y529 VanDerWaalsContact O-N 3.08Å; P527-Y529 VanDerWaalsContact C-N 3.29Å; P527-Y529 PolarHBondContact O-N 3.32Å; Y529-N531 VanDerWaalsContact C-N 3.3Å; Y529-N531 PolarHBondContact O-N 3.34Å; Y529-L532 HydrophobicContact CD1-CD1 3.59Å; Y529-L532 HydrophobicContact CE1-CD1 4.1Å; Y529-L532 HydrophobicContact CG-CD1 3.92Å; Y529-L532 WeakPolarHBondContact O-CB 3.46Å; Y529-L532 WeakPolarHBondContact O-CG 3.3Å; Y529-L532 PolarHBondContact O-N 3Å
530	R	84.6	Confident	86.1	Confident	121 Å²	121	53.5 Å²	53.5	46%	0.457	26%	0.262	S	S	.	.	H	α-helix	trans	-69.9	-28.5	175.1	-163.1	-179.8	-177.6	-156.4	-2	112.4	P527 D528 L532 Q562	P527-R530 WeakPolarHBondContact O-CB 3.41Å; P527-R530 PolarHBondContact O-N 2.83Å; D528-R530 PolarHBondContact O-N 3.28Å; R530-L532 VanDerWaalsContact C-N 3.26Å; R530-L532 PolarHBondContact O-N 3.34Å; R530-Q562 VanDerWaalsContact NE-OE1 3.16Å
531	N	86.7	Confident	86.7	Confident	85 Å²	85	55.6 Å²	55.6	46%	0.455	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-11.1	179.4	-62	-26.6	0	0	0	112.8	D528 Y529 N533 I534	D528-N531 WeakPolarHBondContact O-CB 3.45Å; D528-N531 PolarHBondContact O-N 3.09Å; D528-N531 VanDerWaalsContact O-N 3.1Å; Y529-N531 VanDerWaalsContact C-N 3.3Å; Y529-N531 PolarHBondContact O-N 3.34Å; N531-N533 PolarHBondContact O-N 3.36Å; N531-N533 VanDerWaalsContact O-N 3.08Å; N531-I534 WeakPolarHBondContact O-CB 3.34Å; N531-I534 WeakPolarHBondContact O-CG2 3.5Å; N531-I534 PolarHBondContact O-N 2.95Å; N531-I534 VanDerWaalsContact O-N 3.16Å
532	L	92	Very high	87.7	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-11.8	177.9	-60.4	175.9	0	0	0	113.6	I431 P485 I488 I512 Y529 R530 I534 L535 L563	I431-L532 HydrophobicContact CG1-CD2 4.28Å; I431-L532 HydrophobicContact CG2-CD1 3.87Å; I431-L532 HydrophobicContact CG2-CD2 4.06Å; P485-L532 HydrophobicContact CB-CD2 4.19Å; I488-L532 HydrophobicContact CD1-CD2 3.99Å; I488-L532 HydrophobicContact CG2-CD2 4.43Å; I512-L532 HydrophobicContact CD1-CB 4.21Å; I512-L532 HydrophobicContact CD1-CD1 4.01Å; I512-L532 HydrophobicContact CG1-CD1 4.36Å; I512-L532 HydrophobicContact CG2-CD1 4.13Å; Y529-L532 HydrophobicContact CD1-CD1 3.59Å; Y529-L532 HydrophobicContact CE1-CD1 4.1Å; Y529-L532 HydrophobicContact CG-CD1 3.92Å; Y529-L532 WeakPolarHBondContact O-CB 3.46Å; Y529-L532 WeakPolarHBondContact O-CG 3.3Å; Y529-L532 PolarHBondContact O-N 3Å; R530-L532 VanDerWaalsContact C-N 3.26Å; R530-L532 PolarHBondContact O-N 3.34Å; L532-I534 PolarHBondContact O-N 3.48Å; L532-I534 VanDerWaalsContact O-N 3.14Å; L532-L535 HydrophobicContact CB-CD1 4.43Å; L532-L535 HydrophobicContact CD2-CD1 4.23Å; L532-L535 VanDerWaalsContact O-CB 3.32Å; L532-L535 WeakPolarHBondContact O-CB 3.4Å; L532-L535 WeakPolarHBondContact O-CG 3.26Å; L532-L535 PolarHBondContact O-N 3.43Å; L532-L563 HydrophobicContact CB-CD2 4.07Å
533	N	90	Very high	88.8	Confident	47 Å²	47	51.3 Å²	51.3	25%	0.251	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-21.4	171.3	74.1	10.4	0	0	0	113.3	N531 L535 R536 I537 Q562	N531-N533 PolarHBondContact O-N 3.36Å; N531-N533 VanDerWaalsContact O-N 3.08Å; N533-L535 PolarHBondContact O-N 2.9Å; N533-R536 PolarHBondContact O-N 2.9Å; N533-I537 WeakPolarHBondContact O-CG1 3.47Å; N533-I537 PolarHBondContact O-N 2.81Å; N533-Q562 WeakPolarHBondContact CB-O 3.29Å
534	I	90.9	Very high	90	Very high	61 Å²	61	49 Å²	49	31%	0.313	25%	0.25	S	C	.	.	H	α-helix	trans	-60.6	-28	172.3	-159.9	171.3	0	0	0	112.4	I488 N531 L532 I537 N538	I488-I534 HydrophobicContact CG2-CG2 4.45Å; N531-I534 WeakPolarHBondContact O-CB 3.34Å; N531-I534 WeakPolarHBondContact O-CG2 3.5Å; N531-I534 PolarHBondContact O-N 2.95Å; N531-I534 VanDerWaalsContact O-N 3.16Å; L532-I534 PolarHBondContact O-N 3.48Å; L532-I534 VanDerWaalsContact O-N 3.14Å; I534-I537 PolarHBondContact O-N 2.94Å; I534-N538 WeakPolarHBondContact O-CB 3.14Å; I534-N538 PolarHBondContact O-N 2.84Å; I534-N538 PolarHBondContact O-OD1 2.71Å
535	L	93.6	Very high	90.9	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-44.8	179.1	-59.4	177.3	0	0	0	111.3	I431 I488 F510 L532 N533 I537 F539 M544	I431-L535 HydrophobicContact CD1-CD1 3.97Å; I431-L535 HydrophobicContact CG1-CD1 4.42Å; I488-L535 HydrophobicContact CD1-CD1 4.19Å; I488-L535 HydrophobicContact CD1-CD2 4.39Å; I488-L535 HydrophobicContact CG2-CD2 4.02Å; F510-L535 HydrophobicContact CD1-CD1 3.87Å; F510-L535 HydrophobicContact CD1-CD2 4.36Å; F510-L535 HydrophobicContact CD2-CB 4.34Å; F510-L535 HydrophobicContact CE1-CD1 4.18Å; F510-L535 HydrophobicContact CE1-CD2 3.81Å; F510-L535 HydrophobicContact CE1-CG 4.45Å; F510-L535 HydrophobicContact CE2-CB 4.31Å; F510-L535 HydrophobicContact CG-CD1 4.18Å; F510-L535 HydrophobicContact CZ-CB 4.48Å; F510-L535 HydrophobicContact CZ-CD2 3.92Å; L532-L535 HydrophobicContact CB-CD1 4.43Å; L532-L535 HydrophobicContact CD2-CD1 4.23Å; L532-L535 VanDerWaalsContact O-CB 3.32Å; L532-L535 WeakPolarHBondContact O-CB 3.4Å; L532-L535 WeakPolarHBondContact O-CG 3.26Å; L532-L535 PolarHBondContact O-N 3.43Å; N533-L535 PolarHBondContact O-N 2.9Å; L535-I537 VanDerWaalsContact C-N 3.31Å; L535-I537 PolarHBondContact O-N 3.39Å; L535-F539 HydrophobicContact CD2-CD2 4.34Å; L535-F539 HydrophobicContact CD2-CE2 4.24Å; L535-F539 WeakPolarHBondContact O-CA 3.43Å; L535-F539 WeakPolarHBondContact O-CB 3.31Å; L535-F539 PolarHBondContact O-N 3.35Å; L535-M544 HydrophobicContact CB-CE 4.18Å
536	R	93.6	Very high	91.6	Very high	36 Å²	36	44 Å²	44	14%	0.136	23%	0.226	C	C	.	.	H	α-helix	trans	-70.7	-26.1	175.9	177.3	58.3	72.9	-140.2	-3.2	112.5	D402 N533 P540 V542 M544 K564	D402-R536 IonicContact OD1-CZ 2.74Å; D402-R536 IonicContact OD1-NH2 2.65Å; D402-R536 PolarHBondContact OD1-NH2 3.49Å; D402-R536 IonicContact OD2-CZ 2.69Å; D402-R536 IonicContact OD2-NH2 3.87Å; D402-R536 PolarHBondContact OD2-NH2 2.75Å; N533-R536 PolarHBondContact O-N 2.9Å; R536-P540 PolarHBondContact NH1-O 3.03Å; R536-V542 PolarHBondContact NH1-O 3.15Å; R536-M544 HydrophobicContact CB-CE 4.26Å; R536-K564 HydrophobicContact CG-CB 4.07Å
537	I	91.9	Very high	92.2	Very high	92 Å²	92	41.2 Å²	41.2	47%	0.472	22%	0.216	S	C	.	.	H	α-helix	trans	-74.7	-47.5	175.7	-64.3	166.4	0	0	0	111	N533 I534 L535	N533-I537 WeakPolarHBondContact O-CG1 3.47Å; N533-I537 PolarHBondContact O-N 2.81Å; I534-I537 PolarHBondContact O-N 2.94Å; L535-I537 VanDerWaalsContact C-N 3.31Å; L535-I537 PolarHBondContact O-N 3.39Å
538	N	92.5	Very high	92.5	Very high	68 Å²	68	37.4 Å²	37.4	36%	0.364	19%	0.191	S	C	.	.	H	α-helix	trans	-83.9	-26	-173.7	-67.5	18.2	0	0	0	113.2	I534 P540	I534-N538 WeakPolarHBondContact O-CB 3.14Å; I534-N538 PolarHBondContact O-N 2.84Å; I534-N538 PolarHBondContact O-OD1 2.71Å; N538-P540 VanDerWaalsContact C-CD 3.49Å
539	F	95	Very high	92.5	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.035	18%	0.179	C	C	.	.			trans	-131.1	59.2	-173.9	-47.6	-61.9	0	0	0	111.1	L498 E499 Y502 L507 F510 L535 D541 V542	L498-F539 HydrophobicContact CB-CE1 4.5Å; L498-F539 HydrophobicContact CB-CE2 4.25Å; L498-F539 HydrophobicContact CB-CZ 3.79Å; E499-F539 HydrophobicContact CG-CE1 4Å; E499-F539 HydrophobicContact CG-CZ 4.27Å; Y502-F539 AromaticContact CD1-CD1 3.86Å; Y502-F539 HydrophobicContact CD1-CD1 3.86Å; Y502-F539 HydrophobicContact CD1-CE1 4.48Å; Y502-F539 HydrophobicContact CD2-CB 4.34Å; Y502-F539 HydrophobicContact CD2-CD1 4.12Å; Y502-F539 HydrophobicContact CE1-CD1 4.39Å; Y502-F539 HydrophobicContact CE2-CB 4.26Å; Y502-F539 AromaticContact CG-CD1 3.7Å; Y502-F539 HydrophobicContact CG-CD1 3.7Å; Y502-F539 HydrophobicContact CG-CE1 4.38Å; L507-F539 HydrophobicContact CD2-CD1 4.41Å; L507-F539 HydrophobicContact CD2-CG 4.4Å; F510-F539 HydrophobicContact CE2-CB 3.82Å; F510-F539 AromaticContact CE2-CD2 3.6Å; F510-F539 HydrophobicContact CE2-CD2 3.6Å; F510-F539 AromaticContact CE2-CG 3.99Å; F510-F539 HydrophobicContact CE2-CG 3.99Å; F510-F539 HydrophobicContact CZ-CB 4.48Å; F510-F539 AromaticContact CZ-CD2 3.46Å; F510-F539 HydrophobicContact CZ-CD2 3.46Å; F510-F539 VanDerWaalsContact CZ-CD2 3.46Å; F510-F539 AromaticContact CZ-CE2 3.95Å; F510-F539 HydrophobicContact CZ-CE2 3.95Å; F510-F539 HydrophobicContact CZ-CG 4.16Å; L535-F539 HydrophobicContact CD2-CD2 4.34Å; L535-F539 HydrophobicContact CD2-CE2 4.24Å; L535-F539 WeakPolarHBondContact O-CA 3.43Å; L535-F539 WeakPolarHBondContact O-CB 3.31Å; L535-F539 PolarHBondContact O-N 3.35Å; F539-D541 VanDerWaalsContact C-N 3.26Å; F539-D541 PolarHBondContact O-N 3.49Å; F539-V542 HydrophobicContact CB-CB 4.3Å; F539-V542 HydrophobicContact CB-CG2 3.85Å; F539-V542 PolarHBondContact O-N 3.35Å; F539-V542 VanDerWaalsContact O-N 3.13Å
540	P	93.4	Very high	92.3	Very high	70 Å²	70	35.4 Å²	35.4	46%	0.455	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-35.7	-170.4	23.5	-35.1	0	0	0	113.5	Y502 R536 N538 V542	Y502-P540 WeakPolarHBondContact OH-CD 3.27Å; R536-P540 PolarHBondContact NH1-O 3.03Å; N538-P540 VanDerWaalsContact C-CD 3.49Å; P540-V542 VanDerWaalsContact C-N 3.32Å; P540-V542 PolarHBondContact O-N 3.49Å
541	D	93.1	Very high	92.3	Very high	135 Å²	135	29.7 Å²	29.7	72%	0.722	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-9.6	-177	-52.3	-41.4	0	0	0	113.9	Y502 F539	Y502-D541 HydrophobicContact CE2-CB 4.17Å; Y502-D541 PolarHBondContact OH-N 3.08Å; Y502-D541 PolarHBondContact OH-OD2 3.26Å; F539-D541 VanDerWaalsContact C-N 3.26Å; F539-D541 PolarHBondContact O-N 3.49Å
542	V	96.1	Very high	92.2	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.018	14%	0.142	C	C	.	.	S	Bend	trans	-83.9	123.9	-178.7	-177.5	0	0	0	0	109.7	Y502 L507 F510 R536 F539 P540	Y502-V542 HydrophobicContact CD2-CG2 3.6Å; Y502-V542 HydrophobicContact CE2-CG2 3.65Å; L507-V542 HydrophobicContact CD2-CG2 4.09Å; L507-V542 HydrophobicContact CG-CG1 4.33Å; L507-V542 HydrophobicContact CG-CG2 4.09Å; F510-V542 HydrophobicContact CD2-CB 3.99Å; F510-V542 HydrophobicContact CD2-CG1 3.55Å; F510-V542 HydrophobicContact CE2-CB 3.99Å; F510-V542 HydrophobicContact CE2-CG1 3.81Å; F510-V542 HydrophobicContact CE2-CG2 4.3Å; F510-V542 HydrophobicContact CG-CG1 4.43Å; R536-V542 PolarHBondContact NH1-O 3.15Å; F539-V542 HydrophobicContact CB-CB 4.3Å; F539-V542 HydrophobicContact CB-CG2 3.85Å; F539-V542 PolarHBondContact O-N 3.35Å; F539-V542 VanDerWaalsContact O-N 3.13Å; P540-V542 VanDerWaalsContact C-N 3.32Å; P540-V542 PolarHBondContact O-N 3.49Å
543	P	96.7	Very high	91.9	Very high	11 Å²	11	29 Å²	29	7%	0.071	16%	0.159	C	C	.	.			trans	-67.4	147.4	178.6	28.1	-35.1	0	0	0	111.6	D400 D402 D508 R509 F510	D400-P543 HydrophobicContact CB-CG 4.15Å; D402-P543 WeakPolarHBondContact OD1-CA 3.01Å; D508-P543 WeakPolarHBondContact O-CD 3.49Å; D508-P543 VanDerWaalsContact O-CG 3.31Å; D508-P543 WeakPolarHBondContact O-CG 3.37Å; R509-P543 WeakPolarHBondContact CA-O 3.36Å; R509-P543 HydrophobicContact CG-CG 4.39Å; R509-P543 WeakPolarHBondContact CG-O 3.37Å; R509-P543 VanDerWaalsContact NH1-CG 3.34Å; F510-P543 PolarHBondContact N-O 3.26Å
544	M	97	Very high	91.7	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	132.3	-177.7	-171.3	176.9	-67.3	0	0	111.2	D402 C403 F510 I512 L535 R536 L563 M565	D402-M544 CarbonylContact C-O 3.29Å; D402-M544 VanDerWaalsContact CA-O 3.3Å; D402-M544 WeakPolarHBondContact CA-O 3.3Å; D402-M544 PolarHBondContact OD1-N 3.22Å; C403-M544 PolarHBondContact N-O 2.98Å; F510-M544 HydrophobicContact CB-CG 4.42Å; F510-M544 CarbonylContact O-C 3.24Å; F510-M544 VanDerWaalsContact O-CA 3.32Å; F510-M544 WeakPolarHBondContact O-CA 3.21Å; I512-M544 HydrophobicContact CD1-CE 4.3Å; I512-M544 HydrophobicContact CD1-CG 4.35Å; I512-M544 HydrophobicContact CD1-SD 3.68Å; L535-M544 HydrophobicContact CB-CE 4.18Å; R536-M544 HydrophobicContact CB-CE 4.26Å; M544-L563 HydrophobicContact SD-CB 4.24Å; M544-L563 HydrophobicContact SD-CD1 4.25Å; M544-M565 HydrophobicContact CB-CE 4.08Å; M544-M565 HydrophobicContact CG-CE 4.18Å; M544-M565 HydrophobicContact CG-SD 4.09Å; M544-M565 VanDerWaalsContact O-CE 3.26Å; M544-M565 WeakPolarHBondContact O-CE 3.48Å; M544-M565 HydrophobicContact SD-CG 3.86Å; M544-M565 HydrophobicContact SD-SD 3.87Å
545	M	97.4	Very high	91.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	108	173.8	-178.4	175.7	-74.9	0	0	110.2	A397 C403 V405 C416 F510 V511 I512 M547	A397-M545 HydrophobicContact CB-CE 3.79Å; C403-M545 HydrophobicContact CB-CB 4.42Å; C403-M545 HydrophobicContact CB-CE 3.84Å; C403-M545 HydrophobicContact CB-CG 4.11Å; C403-M545 CarbonylContact O-C 3.24Å; C403-M545 VanDerWaalsContact O-CA 3.3Å; C403-M545 WeakPolarHBondContact O-CA 3.43Å; V405-M545 HydrophobicContact CG2-CE 4.34Å; V405-M545 HydrophobicContact CG2-CG 4.15Å; V405-M545 HydrophobicContact CG2-SD 4.13Å; C416-M545 HydrophobicContact CB-SD 4.23Å; F510-M545 PolarHBondContact O-N 2.78Å; V511-M545 CarbonylContact C-O 3.54Å; V511-M545 WeakPolarHBondContact CA-O 3.31Å; V511-M545 HydrophobicContact CG2-CB 4.42Å; I512-M545 PolarHBondContact N-O 2.82Å; M545-M547 HydrophobicContact CG-CG 3.83Å; M545-M547 HydrophobicContact CG-SD 4.32Å; M545-M547 HydrophobicContact SD-CE 3.99Å; M545-M547 HydrophobicContact SD-CG 4.23Å; M545-M547 HydrophobicContact SD-SD 3.93Å
546	A	96.6	Very high	91.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	131	171.8	0	0	0	0	0	110	C403 F404 V405 A515 I559 L563 M565	C403-A546 PolarHBondContact O-N 2.74Å; F404-A546 HydrophobicContact CD2-CB 4.01Å; F404-A546 HydrophobicContact CE2-CB 4.2Å; F404-A546 HydrophobicContact CG-CB 4.49Å; V405-A546 PolarHBondContact N-O 3.37Å; A515-A546 HydrophobicContact CB-CB 4.08Å; A546-I559 HydrophobicContact CB-CG2 4.45Å; A546-L563 HydrophobicContact CB-CD1 4.32Å; A546-M565 HydrophobicContact CB-CE 4.34Å; A546-M565 HydrophobicContact CB-SD 3.82Å
547	M	94.8	Very high	91.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.4	-175.6	-54.2	-155.3	89.3	0	0	112.1	V405 K413 C416 Y417 V511 I512 E514 A515 M545	V405-M547 HydrophobicContact CB-CE 3.48Å; V405-M547 VanDerWaalsContact CB-CE 3.48Å; V405-M547 HydrophobicContact CB-CG 4.42Å; V405-M547 HydrophobicContact CG1-CE 3.48Å; V405-M547 VanDerWaalsContact CG1-CE 3.48Å; V405-M547 HydrophobicContact CG2-CE 3.9Å; V405-M547 WeakPolarHBondContact O-CA 3.47Å; K413-M547 HydrophobicContact CB-CE 3.73Å; K413-M547 HydrophobicContact CB-SD 4.32Å; K413-M547 HydrophobicContact CD-CB 4.32Å; K413-M547 HydrophobicContact CD-CE 4.39Å; K413-M547 HydrophobicContact CG-CE 4.04Å; K413-M547 WeakPolarHBondContact O-CE 3.12Å; C416-M547 HydrophobicContact CB-CE 3.84Å; Y417-M547 HydrophobicContact CD1-SD 3.54Å; Y417-M547 VanDerWaalsContact CD1-SD 3.54Å; Y417-M547 HydrophobicContact CE1-SD 3.9Å; V511-M547 HydrophobicContact CG1-CG 4.3Å; V511-M547 HydrophobicContact CG1-SD 4.22Å; I512-M547 PolarHBondContact O-N 3.08Å; E514-M547 CarbonylContact C-O 3.42Å; E514-M547 WeakPolarHBondContact CA-O 3.05Å; E514-M547 PolarHBondContact N-O 2.86Å; A515-M547 WeakPolarHBondContact CB-O 3.24Å; A515-M547 PolarHBondContact N-O 2.86Å; M545-M547 HydrophobicContact CG-CG 3.83Å; M545-M547 HydrophobicContact CG-SD 4.32Å; M545-M547 HydrophobicContact SD-CE 3.99Å; M545-M547 HydrophobicContact SD-CG 4.23Å; M545-M547 HydrophobicContact SD-SD 3.93Å
548	T	91.7	Very high	91.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	149.7	-179.3	178.2	0	0	0	0	113.1	F404 V405 I406 M407 T550 A551	F404-T548 HydrophobicContact CE1-CG2 3.86Å; F404-T548 HydrophobicContact CZ-CG2 4.39Å; V405-T548 PolarHBondContact O-N 2.9Å; V405-T548 VanDerWaalsContact O-N 3.14Å; I406-T548 HydrophobicContact CG1-CG2 4.27Å; M407-T548 PolarHBondContact N-O 2.9Å; T548-T550 PolarHBondContact OG1-N 2.96Å; T548-A551 HydrophobicContact CG2-CB 3.58Å; T548-A551 PolarHBondContact OG1-N 2.19Å
549	A	86.2	Confident	91.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-95.1	-10.6	171.6	0	0	0	0	0	114.8	M407 E514 F575	M407-A549 WeakPolarHBondContact O-CA 3.49Å; E514-A549 PolarHBondContact OE2-N 2.17Å; A549-F575 WeakPolarHBondContact O-CD1 3.44Å; A549-F575 WeakPolarHBondContact O-CE1 3.23Å
550	T	83.9	Confident	91.1	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.018	14%	0.14	C	C	.	.			trans	-151.3	15.1	-160.3	39.9	0	0	0	0	116	H523 T548 T552 Y692 Q693 F765	H523-T550 PolarHBondContact CE1-OG1 3.4Å; T548-T550 PolarHBondContact OG1-N 2.96Å; T550-T552 PolarHBondContact O-N 3.01Å; T550-T552 VanDerWaalsContact O-N 3.14Å; T550-Y692 HydrophobicContact CG2-CD1 3.65Å; T550-Y692 HydrophobicContact CG2-CE1 4.14Å; T550-Q693 HydrophobicContact CG2-CG 3.61Å; T550-Q693 PolarHBondContact OG1-NE2 3.44Å; T550-F765 HydrophobicContact CG2-CE1 3.98Å; T550-F765 HydrophobicContact CG2-CZ 3.88Å; T550-F765 WeakPolarHBondContact O-CE1 3.48Å
551	A	84.8	Confident	91	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.			trans	-69	112.6	175.1	0	0	0	0	0	111.8	T548 V555 R556 I559	T548-A551 HydrophobicContact CG2-CB 3.58Å; T548-A551 PolarHBondContact OG1-N 2.19Å; A551-V555 HydrophobicContact CB-CB 4.23Å; A551-V555 HydrophobicContact CB-CG1 3.77Å; A551-R556 HydrophobicContact CB-CG 3.78Å; A551-R556 PolarHBondContact O-NE 3.31Å; A551-R556 PolarHBondContact O-NH2 2.9Å; A551-I559 HydrophobicContact CB-CD1 4.11Å
552	T	86.2	Confident	90.9	Very high	17 Å²	17	25.9 Å²	25.9	10%	0.104	13%	0.127	C	C	.	.			trans	-64.8	161.7	165.5	63.9	0	0	0	0	110.6	T550 K554 V555 R556 E689 F765	T550-T552 PolarHBondContact O-N 3.01Å; T550-T552 VanDerWaalsContact O-N 3.14Å; T552-K554 PolarHBondContact O-N 2.98Å; T552-K554 VanDerWaalsContact O-N 3.09Å; T552-V555 PolarHBondContact O-N 3.14Å; T552-V555 WeakPolarHBondContact OG1-CG2 3.4Å; T552-R556 WeakPolarHBondContact O-CG 3.46Å; T552-R556 PolarHBondContact O-N 3.17Å; T552-E689 HydrophobicContact CG2-CG 4.45Å; T552-F765 HydrophobicContact CG2-CD1 4.13Å; T552-F765 HydrophobicContact CG2-CE1 4.47Å
553	P	85	Confident	90.8	Very high	55 Å²	55	25.7 Å²	25.7	36%	0.357	13%	0.126	S	C	.	.	H	α-helix	trans	-55.4	-29.6	-179.4	-28.4	36.6	0	0	0	114.8
554	K	85.5	Confident	90.6	Very high	96 Å²	96	30 Å²	30	42%	0.417	14%	0.143	S	C	.	.	H	α-helix	trans	-69.9	-47.1	172.6	-172.5	177.6	-177.2	-177.9	0	112.1	W521 T552 R556 R557 D558	W521-K554 HydrophobicContact CD2-CD 4.17Å; W521-K554 VanDerWaalsContact CD2-CE 3.43Å; W521-K554 VanDerWaalsContact CD2-NZ 3.27Å; W521-K554 HydrophobicContact CE3-CD 4.35Å; W521-K554 HydrophobicContact CG-CD 4.26Å; W521-K554 VanDerWaalsContact CZ2-NZ 3.32Å; T552-K554 PolarHBondContact O-N 2.98Å; T552-K554 VanDerWaalsContact O-N 3.09Å; K554-R556 PolarHBondContact O-N 3.09Å; K554-R557 PolarHBondContact O-N 2.82Å; K554-D558 PolarHBondContact O-N 3.46Å
555	V	88.4	Confident	90.4	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.024	15%	0.146	C	C	.	.	H	α-helix	trans	-63.3	-39.9	178.7	170.1	0	0	0	0	111.2	H516 W521 A551 T552 R557 D558 I559	H516-V555 HydrophobicContact CB-CG1 4.32Å; W521-V555 VanDerWaalsContact C-CG2 3.47Å; W521-V555 HydrophobicContact CB-CG2 3.92Å; W521-V555 WeakPolarHBondContact O-CG2 3.32Å; A551-V555 HydrophobicContact CB-CB 4.23Å; A551-V555 HydrophobicContact CB-CG1 3.77Å; T552-V555 PolarHBondContact O-N 3.14Å; T552-V555 WeakPolarHBondContact OG1-CG2 3.4Å; V555-R557 VanDerWaalsContact C-N 3.33Å; V555-R557 PolarHBondContact O-N 3.3Å; V555-D558 PolarHBondContact O-N 2.97Å; V555-I559 HydrophobicContact CG1-CD1 3.65Å; V555-I559 HydrophobicContact CG1-CG1 4.16Å; V555-I559 VanDerWaalsContact O-CG1 3.25Å; V555-I559 WeakPolarHBondContact O-CG1 2.25Å; V555-I559 PolarHBondContact O-N 3.36Å
556	R	90.9	Very high	89.9	Confident	14 Å²	14	35.8 Å²	35.8	5%	0.053	18%	0.178	C	C	.	.	H	α-helix	trans	-53.1	-47.9	175.5	-68.2	171.5	-153.4	171.2	9.2	112.1	F404 I406 A551 T552 K554 L560 W570 F765	F404-R556 HydrophobicContact CE1-CG 4.33Å; F404-R556 HydrophobicContact CZ-CB 4.45Å; F404-R556 HydrophobicContact CZ-CG 4.34Å; I406-R556 HydrophobicContact CD1-CG 3.97Å; A551-R556 HydrophobicContact CB-CG 3.78Å; A551-R556 PolarHBondContact O-NE 3.31Å; A551-R556 PolarHBondContact O-NH2 2.9Å; T552-R556 WeakPolarHBondContact O-CG 3.46Å; T552-R556 PolarHBondContact O-N 3.17Å; K554-R556 PolarHBondContact O-N 3.09Å; R556-L560 WeakPolarHBondContact O-CG 3.14Å; R556-L560 PolarHBondContact O-N 3.03Å; R556-W570 HydrophobicContact CB-CH2 4.27Å; R556-W570 HydrophobicContact CB-CZ3 4.39Å; R556-W570 HydrophobicContact CG-CZ3 4.43Å; R556-F765 PolarHBondContact NH2-O 2.97Å
557	R	88.6	Confident	89.5	Confident	112 Å²	112	42.7 Å²	42.7	42%	0.423	22%	0.215	S	C	.	.	H	α-helix	trans	-63.4	-45.2	179.1	-71.1	-169.4	-75.3	164.1	-9.5	112.4	K554 V555 L560 L561	K554-R557 PolarHBondContact O-N 2.82Å; V555-R557 VanDerWaalsContact C-N 3.33Å; V555-R557 PolarHBondContact O-N 3.3Å; R557-L560 PolarHBondContact O-N 3.18Å; R557-L561 WeakPolarHBondContact O-CG 3.1Å; R557-L561 PolarHBondContact O-N 3.01Å
558	D	90.6	Very high	89.4	Confident	22 Å²	22	43.5 Å²	43.5	12%	0.118	22%	0.22	C	C	.	.	H	α-helix	trans	-64.9	-40.1	-179.7	-169.1	32.2	0	0	0	111.9	S519 K554 V555 L560 L561 Q562	S519-D558 VanDerWaalsContact CA-OD2 3.32Å; S519-D558 WeakPolarHBondContact CA-OD2 3.37Å; S519-D558 VanDerWaalsContact CB-OD2 3.23Å; S519-D558 WeakPolarHBondContact CB-OD2 3.19Å; S519-D558 PolarHBondContact OG-OD2 3.42Å; K554-D558 PolarHBondContact O-N 3.46Å; V555-D558 PolarHBondContact O-N 2.97Å; D558-L560 PolarHBondContact O-N 2.92Å; D558-L561 PolarHBondContact O-N 3.38Å; D558-Q562 WeakPolarHBondContact O-CG 3.35Å; D558-Q562 PolarHBondContact O-N 2.88Å; D558-Q562 PolarHBondContact OD1-NE2 3.46Å
559	I	92.7	Very high	89.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-55.7	-49	175.5	-66.6	164.3	0	0	0	111.4	F404 A515 V518 A546 A551 V555 L561 L563	F404-I559 HydrophobicContact CE2-CB 4.01Å; F404-I559 HydrophobicContact CE2-CD1 4.42Å; F404-I559 HydrophobicContact CE2-CG2 3.65Å; F404-I559 HydrophobicContact CZ-CB 4.27Å; F404-I559 HydrophobicContact CZ-CD1 3.85Å; F404-I559 HydrophobicContact CZ-CG2 4.13Å; A515-I559 HydrophobicContact CB-CD1 4.41Å; A515-I559 HydrophobicContact CB-CG2 4.15Å; A515-I559 WeakPolarHBondContact O-CD1 3.48Å; A515-I559 WeakPolarHBondContact O-CG1 3.15Å; V518-I559 HydrophobicContact CB-CG1 4.42Å; A546-I559 HydrophobicContact CB-CG2 4.45Å; A551-I559 HydrophobicContact CB-CD1 4.11Å; V555-I559 HydrophobicContact CG1-CD1 3.65Å; V555-I559 HydrophobicContact CG1-CG1 4.16Å; V555-I559 VanDerWaalsContact O-CG1 3.25Å; V555-I559 WeakPolarHBondContact O-CG1 2.25Å; V555-I559 PolarHBondContact O-N 3.36Å; I559-L561 VanDerWaalsContact C-N 3.33Å; I559-L561 PolarHBondContact O-N 3.46Å; I559-L563 HydrophobicContact CG2-CD1 3.63Å; I559-L563 HydrophobicContact CG2-CG 4.32Å; I559-L563 VanDerWaalsContact O-CB 3.28Å; I559-L563 WeakPolarHBondContact O-CB 3.4Å; I559-L563 VanDerWaalsContact O-CG 3.29Å; I559-L563 WeakPolarHBondContact O-CG 3.13Å; I559-L563 PolarHBondContact O-N 2.76Å
560	L	92.8	Very high	89.9	Confident	30 Å²	30	45.7 Å²	45.7	16%	0.157	23%	0.229	C	C	.	.	H	α-helix	trans	-59.6	-44.2	178.7	-60.3	164.2	0	0	0	111.6	F404 R556 R557 D558 K564 M565 W570	F404-L560 HydrophobicContact CD2-CD2 3.72Å; F404-L560 HydrophobicContact CD2-CG 4.42Å; F404-L560 HydrophobicContact CE2-CD2 4.1Å; F404-L560 HydrophobicContact CE2-CG 4.35Å; R556-L560 WeakPolarHBondContact O-CG 3.14Å; R556-L560 PolarHBondContact O-N 3.03Å; R557-L560 PolarHBondContact O-N 3.18Å; D558-L560 PolarHBondContact O-N 2.92Å; L560-K564 WeakPolarHBondContact O-CA 2.24Å; L560-K564 PolarHBondContact O-N 3.45Å; L560-M565 HydrophobicContact CD2-CB 4.15Å; L560-M565 PolarHBondContact O-N 3.23Å; L560-M565 VanDerWaalsContact O-N 3.1Å; L560-W570 HydrophobicContact CD1-CH2 3.87Å; L560-W570 HydrophobicContact CD1-CZ2 3.65Å; L560-W570 HydrophobicContact CD2-CH2 4.31Å; L560-W570 HydrophobicContact CD2-CZ2 4.11Å; L560-W570 HydrophobicContact CG-CH2 4.36Å; L560-W570 HydrophobicContact CG-CZ2 4.37Å
561	L	91.8	Very high	90.3	Very high	131 Å²	131	45.6 Å²	45.6	69%	0.686	23%	0.228	S	C	*	.	H	α-helix	trans	-67.6	-46	-177.2	-70.7	169.8	0	0	0	112.1	R557 D558 I559	R557-L561 WeakPolarHBondContact O-CG 3.1Å; R557-L561 PolarHBondContact O-N 3.01Å; D558-L561 PolarHBondContact O-N 3.38Å; I559-L561 VanDerWaalsContact C-N 3.33Å; I559-L561 PolarHBondContact O-N 3.46Å
562	Q	92.2	Very high	90.4	Very high	44 Å²	44	45.7 Å²	45.7	21%	0.206	23%	0.229	C	C	.	.	H	α-helix	trans	-66.4	-45	176.9	-58	-55.9	-43.9	0	0	110.7	V518 R530 N533 D558 K564	V518-Q562 HydrophobicContact CG1-CB 3.42Å; V518-Q562 VanDerWaalsContact CG1-CB 3.42Å; V518-Q562 HydrophobicContact CG1-CG 3.86Å; R530-Q562 VanDerWaalsContact NE-OE1 3.16Å; N533-Q562 WeakPolarHBondContact CB-O 3.29Å; D558-Q562 WeakPolarHBondContact O-CG 3.35Å; D558-Q562 PolarHBondContact O-N 2.88Å; D558-Q562 PolarHBondContact OD1-NE2 3.46Å; Q562-K564 VanDerWaalsContact C-N 3.29Å; Q562-K564 PolarHBondContact O-N 3.43Å
563	L	93.5	Very high	90.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-76.4	-10.5	-178.6	-64.1	-179.6	0	0	0	114.4	I512 V518 L532 M544 A546 I559 M565	I512-L563 HydrophobicContact CD1-CD1 3.84Å; I512-L563 HydrophobicContact CD1-CD2 3.52Å; I512-L563 HydrophobicContact CD1-CG 4.31Å; V518-L563 HydrophobicContact CG1-CD2 4.29Å; V518-L563 HydrophobicContact CG1-CG 4.3Å; V518-L563 HydrophobicContact CG2-CD1 4.37Å; V518-L563 HydrophobicContact CG2-CD2 4.05Å; V518-L563 HydrophobicContact CG2-CG 4.27Å; L532-L563 HydrophobicContact CB-CD2 4.07Å; M544-L563 HydrophobicContact SD-CB 4.24Å; M544-L563 HydrophobicContact SD-CD1 4.25Å; A546-L563 HydrophobicContact CB-CD1 4.32Å; I559-L563 HydrophobicContact CG2-CD1 3.63Å; I559-L563 HydrophobicContact CG2-CG 4.32Å; I559-L563 VanDerWaalsContact O-CB 3.28Å; I559-L563 WeakPolarHBondContact O-CB 3.4Å; I559-L563 VanDerWaalsContact O-CG 3.29Å; I559-L563 WeakPolarHBondContact O-CG 3.13Å; I559-L563 PolarHBondContact O-N 2.76Å; L563-M565 VanDerWaalsContact C-N 3.28Å; L563-M565 HydrophobicContact CB-CG 3.9Å; L563-M565 HydrophobicContact CB-SD 4.32Å; L563-M565 HydrophobicContact CD1-SD 3.95Å; L563-M565 PolarHBondContact O-N 2.89Å
564	K	92.5	Very high	90.5	Very high	102 Å²	102	45 Å²	45	44%	0.443	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	37.9	-174	-54.7	-179.6	179.1	-178	0	113.3	R536 L560 Q562	R536-K564 HydrophobicContact CG-CB 4.07Å; L560-K564 WeakPolarHBondContact O-CA 2.24Å; L560-K564 PolarHBondContact O-N 3.45Å; Q562-K564 VanDerWaalsContact C-N 3.29Å; Q562-K564 PolarHBondContact O-N 3.43Å
565	M	92.1	Very high	90.4	Very high	11 Å²	11	40.5 Å²	40.5	5%	0.054	20%	0.202	C	C	.	.			trans	-79.6	131.2	175.4	-65.9	-178.2	72.2	0	0	110.4	D402 M544 A546 L560 L563 T568	D402-M565 HydrophobicContact CB-CE 3.99Å; M544-M565 HydrophobicContact CB-CE 4.08Å; M544-M565 HydrophobicContact CG-CE 4.18Å; M544-M565 HydrophobicContact CG-SD 4.09Å; M544-M565 VanDerWaalsContact O-CE 3.26Å; M544-M565 WeakPolarHBondContact O-CE 3.48Å; M544-M565 HydrophobicContact SD-CG 3.86Å; M544-M565 HydrophobicContact SD-SD 3.87Å; A546-M565 HydrophobicContact CB-CE 4.34Å; A546-M565 HydrophobicContact CB-SD 3.82Å; L560-M565 HydrophobicContact CD2-CB 4.15Å; L560-M565 PolarHBondContact O-N 3.23Å; L560-M565 VanDerWaalsContact O-N 3.1Å; L563-M565 VanDerWaalsContact C-N 3.28Å; L563-M565 HydrophobicContact CB-CG 3.9Å; L563-M565 HydrophobicContact CB-SD 4.32Å; L563-M565 HydrophobicContact CD1-SD 3.95Å; L563-M565 PolarHBondContact O-N 2.89Å; M565-T568 HydrophobicContact CE-CG2 3.72Å
566	T	87.5	Confident	90.4	Very high	110 Å²	110	41.6 Å²	41.6	68%	0.675	21%	0.208	S	C	*	.			trans	-132	149.2	-176.8	56.7	0	0	0	0	110.3	T568	T566-T568 PolarHBondContact O-N 3.48Å; T566-T568 VanDerWaalsContact O-N 3.16Å
567	N	87.9	Confident	90.3	Very high	146 Å²	146	42.1 Å²	42.1	78%	0.781	21%	0.21	S	C	*	.	S	Bend	trans	50.5	37.5	-176.7	-164.9	31.2	0	0	0	113.9
568	T	92.6	Very high	90.3	Very high	16 Å²	16	38.7 Å²	38.7	10%	0.098	21%	0.206	C	C	.	.			trans	-76.9	136.9	-174.5	-48.7	0	0	0	0	111.8	D402 F404 M565 T566 W570	D402-T568 HydrophobicContact CB-CG2 4.24Å; F404-T568 HydrophobicContact CB-CG2 3.77Å; M565-T568 HydrophobicContact CE-CG2 3.72Å; T566-T568 PolarHBondContact O-N 3.48Å; T566-T568 VanDerWaalsContact O-N 3.16Å; T568-W570 VanDerWaalsContact O-CD1 3.25Å; T568-W570 PolarHBondContact O-NE1 3.33Å
569	K	94.7	Very high	90.2	Very high	34 Å²	34	38.7 Å²	38.7	15%	0.148	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.2	176.5	-69.8	-66.3	-170.8	169	0	112.1	D355 E360 F361 R401 D402 C403 F404 F571	D355-K569 HydrophobicContact CB-CD 4.1Å; D355-K569 WeakPolarHBondContact OD1-CD 3.4Å; D355-K569 IonicContact OD1-NZ 4Å; D355-K569 PolarHBondContact OD1-NZ 2.78Å; D355-K569 WeakPolarHBondContact OD2-CA 3.25Å; D355-K569 WeakPolarHBondContact OD2-CD 3.11Å; E360-K569 IonicContact OE1-NZ 3.83Å; E360-K569 WeakPolarHBondContact OE2-CE 3.43Å; E360-K569 IonicContact OE2-NZ 3.95Å; E360-K569 PolarHBondContact OE2-NZ 2.61Å; F361-K569 HydrophobicContact CE2-CD 3.8Å; F361-K569 HydrophobicContact CE2-CG 4.09Å; F361-K569 HydrophobicContact CZ-CD 3.97Å; F361-K569 HydrophobicContact CZ-CG 3.95Å; R401-K569 HydrophobicContact CB-CG 4.29Å; R401-K569 HydrophobicContact CG-CG 4.44Å; D402-K569 PolarHBondContact O-N 3.28Å; C403-K569 CarbonylContact C-O 3.52Å; C403-K569 WeakPolarHBondContact CA-O 3.39Å; F404-K569 PolarHBondContact N-O 2.94Å; K569-F571 HydrophobicContact CB-CE2 3.79Å; K569-F571 HydrophobicContact CB-CZ 3.97Å
570	W	92.9	Very high	90.2	Very high	13 Å²	13	38.8 Å²	38.8	5%	0.049	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.9	-169.2	-67.2	84.4	0	0	0	112.9	Q352 P353 D355 F404 I406 R556 L560 T568 I572	Q352-W570 HydrophobicContact CB-CD2 4.06Å; Q352-W570 HydrophobicContact CB-CE3 4.28Å; Q352-W570 HydrophobicContact CB-CG 4.41Å; Q352-W570 VanDerWaalsContact CD-CZ2 3.48Å; Q352-W570 HydrophobicContact CG-CD2 4.22Å; Q352-W570 HydrophobicContact CG-CE3 4.36Å; Q352-W570 HydrophobicContact CG-CH2 4.07Å; Q352-W570 HydrophobicContact CG-CZ2 3.89Å; Q352-W570 HydrophobicContact CG-CZ3 4.29Å; P353-W570 WeakPolarHBondContact O-CB 3.45Å; D355-W570 WeakPolarHBondContact CA-O 3.32Å; D355-W570 WeakPolarHBondContact CB-O 3.5Å; D355-W570 PolarHBondContact N-O 3.07Å; D355-W570 PolarHBondContact OD2-N 3.38Å; F404-W570 HydrophobicContact CB-CD2 4.08Å; F404-W570 HydrophobicContact CB-CE3 3.81Å; F404-W570 HydrophobicContact CB-CH2 4.36Å; F404-W570 HydrophobicContact CB-CZ3 3.96Å; F404-W570 AromaticContact CD1-CE3 3.85Å; F404-W570 HydrophobicContact CD1-CE3 3.85Å; F404-W570 HydrophobicContact CD1-CH2 4.21Å; F404-W570 AromaticContact CD1-CZ3 3.45Å; F404-W570 HydrophobicContact CD1-CZ3 3.45Å; F404-W570 VanDerWaalsContact CD1-CZ3 3.45Å; F404-W570 AromaticContact CD2-CH2 3.95Å; F404-W570 HydrophobicContact CD2-CH2 3.95Å; F404-W570 HydrophobicContact CD2-CZ3 4.02Å; F404-W570 AromaticContact CE1-CZ3 3.88Å; F404-W570 HydrophobicContact CE1-CZ3 3.88Å; F404-W570 HydrophobicContact CE2-CH2 4.27Å; F404-W570 HydrophobicContact CE2-CZ3 4.38Å; F404-W570 AromaticContact CG-CE3 3.89Å; F404-W570 HydrophobicContact CG-CE3 3.89Å; F404-W570 AromaticContact CG-CH2 3.92Å; F404-W570 HydrophobicContact CG-CH2 3.92Å; F404-W570 AromaticContact CG-CZ3 3.53Å; F404-W570 HydrophobicContact CG-CZ3 3.53Å; F404-W570 HydrophobicContact CZ-CZ3 4.32Å; I406-W570 HydrophobicContact CD1-CE3 4.48Å; I406-W570 HydrophobicContact CD1-CZ3 4.26Å; R556-W570 HydrophobicContact CB-CH2 4.27Å; R556-W570 HydrophobicContact CB-CZ3 4.39Å; R556-W570 HydrophobicContact CG-CZ3 4.43Å; L560-W570 HydrophobicContact CD1-CH2 3.87Å; L560-W570 HydrophobicContact CD1-CZ2 3.65Å; L560-W570 HydrophobicContact CD2-CH2 4.31Å; L560-W570 HydrophobicContact CD2-CZ2 4.11Å; L560-W570 HydrophobicContact CG-CH2 4.36Å; L560-W570 HydrophobicContact CG-CZ2 4.37Å; T568-W570 VanDerWaalsContact O-CD1 3.25Å; T568-W570 PolarHBondContact O-NE1 3.33Å; W570-I572 HydrophobicContact CB-CD1 4.45Å; W570-I572 HydrophobicContact CB-CG1 4.4Å; W570-I572 HydrophobicContact CE3-CD1 4.16Å
571	F	93.1	Very high	90.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	98.5	178.2	-59.4	-71.5	0	0	0	108.7	D355 F361 N389 Q392 A393 A396 C403 F404 V405 I406 K569	D355-F571 HydrophobicContact CB-CE1 4.07Å; D355-F571 HydrophobicContact CB-CZ 4.25Å; F361-F571 HydrophobicContact CD2-CE1 4.09Å; F361-F571 AromaticContact CD2-CZ 3.94Å; F361-F571 HydrophobicContact CD2-CZ 3.94Å; F361-F571 HydrophobicContact CE2-CZ 4.2Å; N389-F571 HydrophobicContact CB-CB 4.26Å; Q392-F571 HydrophobicContact CB-CD1 3.96Å; Q392-F571 HydrophobicContact CB-CE1 3.71Å; A393-F571 HydrophobicContact CB-CB 4.16Å; A393-F571 HydrophobicContact CB-CD1 4.23Å; A393-F571 HydrophobicContact CB-CD2 3.75Å; A393-F571 HydrophobicContact CB-CE2 4.27Å; A393-F571 HydrophobicContact CB-CG 3.73Å; A396-F571 HydrophobicContact CB-CE2 3.78Å; A396-F571 HydrophobicContact CB-CZ 3.5Å; A396-F571 VanDerWaalsContact CB-CZ 3.5Å; C403-F571 HydrophobicContact CB-CD2 4.4Å; C403-F571 HydrophobicContact CB-CE2 4.26Å; F404-F571 PolarHBondContact O-N 3.43Å; V405-F571 HydrophobicContact CG1-CB 4.49Å; V405-F571 HydrophobicContact CG2-CB 4.36Å; V405-F571 HydrophobicContact CG2-CD2 4.25Å; I406-F571 PolarHBondContact N-O 2.97Å; K569-F571 HydrophobicContact CB-CE2 3.79Å; K569-F571 HydrophobicContact CB-CZ 3.97Å
572	I	87.7	Confident	90.6	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	109.7	-168	-52.8	-179	0	0	0	110.4	F331 Q352 D354 N389 I406 W570	F331-I572 HydrophobicContact CD2-CG2 4.03Å; F331-I572 HydrophobicContact CE2-CG2 4.37Å; F331-I572 HydrophobicContact CG-CG2 4.43Å; Q352-I572 HydrophobicContact CB-CD1 4.36Å; D354-I572 PolarHBondContact OD1-N 3.37Å; N389-I572 PolarHBondContact ND2-N 3.48Å; N389-I572 PolarHBondContact ND2-O 2.9Å; I406-I572 HydrophobicContact CB-CG1 4.37Å; I406-I572 HydrophobicContact CB-CG2 4.34Å; I406-I572 HydrophobicContact CD1-CD1 4.43Å; I406-I572 HydrophobicContact CD1-CG1 4.28Å; I406-I572 HydrophobicContact CG1-CG1 4.45Å; I406-I572 HydrophobicContact CG2-CG2 4.46Å; W570-I572 HydrophobicContact CB-CD1 4.45Å; W570-I572 HydrophobicContact CB-CG1 4.4Å; W570-I572 HydrophobicContact CE3-CD1 4.16Å
573	Q	86.6	Confident	90.8	Very high	38 Å²	38	32.7 Å²	32.7	18%	0.178	17%	0.171	C	C	.	.			trans	-96.5	145.3	170.1	-170.6	178.8	21.5	0	0	110.1	I406 M407	I406-Q573 PolarHBondContact O-N 3.13Å; M407-Q573 HydrophobicContact CB-CB 4.42Å; M407-Q573 HydrophobicContact CG-CB 4Å
574	S	85.6	Confident	90.9	Very high	21 Å²	21	33.9 Å²	33.9	15%	0.147	18%	0.178	C	C	.	.			trans	-50.9	139.7	171.7	168.8	0	0	0	0	111.8	P408 N576 E767	P408-S574 WeakPolarHBondContact CD-O 3.37Å; P408-S574 WeakPolarHBondContact CG-O 3.4Å; S574-N576 PolarHBondContact O-N 3.04Å; S574-N576 VanDerWaalsContact OG-CB 3.24Å; S574-N576 WeakPolarHBondContact OG-CB 3.37Å; S574-N576 PolarHBondContact OG-N 3.38Å; S574-E767 VanDerWaalsContact CA-OE2 3.29Å; S574-E767 WeakPolarHBondContact CA-OE2 3.45Å; S574-E767 VanDerWaalsContact CB-OE1 3.31Å; S574-E767 WeakPolarHBondContact CB-OE1 3.47Å; S574-E767 VanDerWaalsContact OG-CD 3.31Å; S574-E767 PolarHBondContact OG-OE1 2.91Å; S574-E767 PolarHBondContact OG-OE2 3.16Å
575	F	83.7	Confident	90.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.			trans	-78.6	-3.4	174	-59.6	-91.1	0	0	0	112.2	I406 A549 R577 Y692 L762 F765 E767	I406-F575 HydrophobicContact CG2-CE1 3.71Å; I406-F575 HydrophobicContact CG2-CE2 4.1Å; I406-F575 HydrophobicContact CG2-CZ 3.3Å; A549-F575 WeakPolarHBondContact O-CD1 3.44Å; A549-F575 WeakPolarHBondContact O-CE1 3.23Å; F575-R577 PolarHBondContact O-N 3.23Å; F575-R577 VanDerWaalsContact O-N 3.12Å; F575-Y692 HydrophobicContact CB-CE2 4.49Å; F575-Y692 WeakPolarHBondContact O-CE2 3.34Å; F575-Y692 PolarHBondContact O-OH 3.47Å; F575-L762 HydrophobicContact CB-CD2 3.61Å; F575-F765 HydrophobicContact CB-CD2 4.45Å; F575-F765 HydrophobicContact CD1-CD2 4.43Å; F575-F765 HydrophobicContact CD1-CG 4.35Å; F575-F765 HydrophobicContact CD2-CB 3.76Å; F575-F765 HydrophobicContact CD2-CG 4.37Å; F575-F765 HydrophobicContact CE1-CB 4.5Å; F575-F765 HydrophobicContact CE1-CD1 4.47Å; F575-F765 HydrophobicContact CE1-CG 4.4Å; F575-F765 HydrophobicContact CE2-CB 3.72Å; F575-F765 HydrophobicContact CE2-CG 4.44Å; F575-F765 HydrophobicContact CG-CB 4.2Å; F575-F765 HydrophobicContact CG-CD2 4.31Å; F575-F765 HydrophobicContact CG-CG 4.33Å; F575-F765 HydrophobicContact CZ-CB 4.09Å; F575-F765 HydrophobicContact CZ-CG 4.44Å; F575-E767 WeakPolarHBondContact CD2-OE2 3.2Å; F575-E767 PolarHBondContact N-OE2 3.36Å
576	N	89.2	Confident	90.9	Very high	28 Å²	28	35.9 Å²	35.9	15%	0.15	20%	0.195	C	C	.	.			trans	-67.6	109.1	-176.2	-176.6	21.1	0	0	0	112.2	S574 A578 L762	S574-N576 PolarHBondContact O-N 3.04Å; S574-N576 VanDerWaalsContact OG-CB 3.24Å; S574-N576 WeakPolarHBondContact OG-CB 3.37Å; S574-N576 PolarHBondContact OG-N 3.38Å; N576-A578 PolarHBondContact O-N 2.68Å; N576-L762 HydrophobicContact CB-CD1 3.91Å; N576-L762 HydrophobicContact CB-CD2 4.27Å
577	R	87.7	Confident	91.2	Very high	25 Å²	25	31.2 Å²	31.2	9%	0.094	17%	0.166	C	C	.	.			trans	-89.5	84.7	168.2	-71.2	-71.2	-57.9	-75.1	-20.9	109.1	T409 F575 N579 L580 G696 S698 G699	T409-R577 PolarHBondContact O-NH1 3.11Å; F575-R577 PolarHBondContact O-N 3.23Å; F575-R577 VanDerWaalsContact O-N 3.12Å; R577-N579 PolarHBondContact NE-OD1 2.79Å; R577-N579 PolarHBondContact NH2-OD1 2.95Å; R577-N579 PolarHBondContact O-N 2.69Å; R577-N579 VanDerWaalsContact O-N 3.16Å; R577-L580 HydrophobicContact CB-CB 4.36Å; R577-L580 HydrophobicContact CB-CD1 3.71Å; R577-L580 HydrophobicContact CB-CG 3.82Å; R577-L580 HydrophobicContact CG-CD1 4.24Å; R577-L580 PolarHBondContact O-N 3.22Å; R577-L580 VanDerWaalsContact O-N 3.08Å; R577-G696 PolarHBondContact NH1-O 2.8Å; R577-S698 PolarHBondContact NH2-O 2.76Å; R577-G699 PolarHBondContact NH2-O 3.42Å
578	A	88.5	Confident	91.2	Very high	40 Å²	40	29.8 Å²	29.8	33%	0.331	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-40.8	-175.6	0	0	0	0	0	112.7	N576 L580 R758 I777 C780	N576-A578 PolarHBondContact O-N 2.68Å; A578-L580 PolarHBondContact O-N 3.2Å; A578-L580 VanDerWaalsContact O-N 3.09Å; A578-R758 PolarHBondContact O-NH2 3Å; A578-I777 HydrophobicContact CB-CD1 4.15Å; A578-I777 HydrophobicContact CB-CG2 4.39Å; A578-I777 WeakPolarHBondContact O-CG2 3.41Å; A578-C780 WeakPolarHBondContact O-CB 3.36Å
579	N	89.4	Confident	90.6	Very high	22 Å²	22	33.9 Å²	33.9	12%	0.118	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	0.7	-178	75.2	-53.2	0	0	0	116.2	R577 G699 G702 L703 P704 S705	R577-N579 PolarHBondContact NE-OD1 2.79Å; R577-N579 PolarHBondContact NH2-OD1 2.95Å; R577-N579 PolarHBondContact O-N 2.69Å; R577-N579 VanDerWaalsContact O-N 3.16Å; N579-G699 WeakPolarHBondContact ND2-CA 3.43Å; N579-G699 PolarHBondContact ND2-O 3.13Å; N579-G702 WeakPolarHBondContact CB-O 3.1Å; N579-G702 PolarHBondContact ND2-O 2.86Å; N579-L703 PolarHBondContact ND2-O 3.02Å; N579-P704 WeakPolarHBondContact O-CA 3.44Å; N579-S705 PolarHBondContact O-N 3.37Å
580	L	93.4	Very high	90	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.7	-178.3	-59	-170.3	0	0	0	112.7	R577 A578 F582 S698 S705 R758	R577-L580 HydrophobicContact CB-CB 4.36Å; R577-L580 HydrophobicContact CB-CD1 3.71Å; R577-L580 HydrophobicContact CB-CG 3.82Å; R577-L580 HydrophobicContact CG-CD1 4.24Å; R577-L580 PolarHBondContact O-N 3.22Å; R577-L580 VanDerWaalsContact O-N 3.08Å; A578-L580 PolarHBondContact O-N 3.2Å; A578-L580 VanDerWaalsContact O-N 3.09Å; L580-F582 HydrophobicContact CB-CE2 3.87Å; L580-F582 HydrophobicContact CB-CZ 3.95Å; L580-F582 HydrophobicContact CD1-CZ 4.34Å; L580-F582 WeakPolarHBondContact O-CD2 3.44Å; L580-S698 WeakPolarHBondContact CD2-OG 3.3Å; L580-S705 WeakPolarHBondContact CA-O 3.03Å; L580-R758 PolarHBondContact O-NH2 3.33Å
581	R	95.3	Very high	89.7	Confident	57 Å²	57	44.5 Å²	44.5	22%	0.215	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	106	175	177.4	170.9	157.7	-169.3	-12.7	110.3	E583 S705 T706 C707 C780	R581-E583 HydrophobicContact CG-CG 4.4Å; R581-E583 IonicContact CZ-OE1 3.76Å; R581-E583 IonicContact NE-OE1 3.58Å; R581-E583 PolarHBondContact NE-OE1 3.3Å; R581-E583 IonicContact NH2-OE1 3.68Å; R581-E583 PolarHBondContact NH2-OE1 2.85Å; R581-S705 PolarHBondContact N-O 3.33Å; R581-T706 HydrophobicContact CB-CG2 4.28Å; R581-T706 HydrophobicContact CG-CG2 4.21Å; R581-C707 PolarHBondContact O-N 3.12Å; R581-C780 HydrophobicContact CB-CB 4.48Å
582	F	96.2	Very high	89.6	Confident	6 Å²	6	44.7 Å²	44.7	3%	0.026	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	133.4	177.3	-61.6	-84.1	0	0	0	112.3	L580 Y691 A695 C707 R757 R758 I761 C782 D783	L580-F582 HydrophobicContact CB-CE2 3.87Å; L580-F582 HydrophobicContact CB-CZ 3.95Å; L580-F582 HydrophobicContact CD1-CZ 4.34Å; L580-F582 WeakPolarHBondContact O-CD2 3.44Å; F582-Y691 HydrophobicContact CD1-CE1 4.18Å; F582-Y691 HydrophobicContact CE1-CE1 4.43Å; F582-A695 HydrophobicContact CE1-CB 4.15Å; F582-C707 HydrophobicContact CD1-CB 4.01Å; F582-C707 HydrophobicContact CE1-CB 4.31Å; F582-R757 HydrophobicContact CB-CB 3.82Å; F582-R757 HydrophobicContact CB-CG 4.14Å; F582-R758 HydrophobicContact CD2-CG 4.41Å; F582-I761 HydrophobicContact CD1-CD1 3.93Å; F582-I761 HydrophobicContact CE1-CD1 3.85Å; F582-I761 HydrophobicContact CE2-CD1 4.44Å; F582-I761 HydrophobicContact CG-CD1 4.27Å; F582-I761 HydrophobicContact CZ-CD1 4.12Å; F582-C782 HydrophobicContact CB-CB 4.35Å; F582-C782 WeakPolarHBondContact O-CA 3.34Å; F582-C782 WeakPolarHBondContact O-CB 3.25Å; F582-D783 PolarHBondContact O-N 3.44Å; F582-D783 VanDerWaalsContact O-N 3.11Å
583	E	96.1	Very high	89.9	Confident	14 Å²	14	45.5 Å²	45.5	7%	0.065	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	143.1	174.3	-55.1	-167.7	167.7	0	0	112.3	R581 R585 C707 L709 D783	R581-E583 HydrophobicContact CG-CG 4.4Å; R581-E583 IonicContact CZ-OE1 3.76Å; R581-E583 IonicContact NE-OE1 3.58Å; R581-E583 PolarHBondContact NE-OE1 3.3Å; R581-E583 IonicContact NH2-OE1 3.68Å; R581-E583 PolarHBondContact NH2-OE1 2.85Å; E583-R585 IonicContact OE2-CZ 2.78Å; E583-R585 IonicContact OE2-NE 2.86Å; E583-R585 PolarHBondContact OE2-NE 3.5Å; E583-R585 IonicContact OE2-NH2 2.72Å; E583-R585 PolarHBondContact OE2-NH2 3.24Å; E583-C707 PolarHBondContact N-O 2.94Å; E583-L709 PolarHBondContact O-N 2.99Å; E583-D783 HydrophobicContact CB-CB 4.21Å; E583-D783 HydrophobicContact CG-CB 4.19Å
584	V	95.6	Very high	90.2	Very high	24 Å²	24	49.5 Å²	49.5	15%	0.145	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.9	166.4	-176.9	0	0	0	0	109.3	L709 Y749 C750 D783	V584-L709 CarbonylContact C-O 3.56Å; V584-L709 WeakPolarHBondContact CA-O 3.34Å; V584-L709 HydrophobicContact CG1-CD2 4.15Å; V584-L709 HydrophobicContact CG2-CB 4.5Å; V584-Y749 HydrophobicContact CG2-CE1 3.98Å; V584-C750 HydrophobicContact CG1-CB 4.3Å; V584-D783 PolarHBondContact N-OD2 3.04Å
585	R	94.1	Very high	90.6	Very high	57 Å²	57	50.6 Å²	50.6	22%	0.215	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.9	180	-60.5	-173.9	-174.7	-172.3	3.7	109.9	E583 K587 E603 I708 L709 Y710 Y711	E583-R585 IonicContact OE2-CZ 2.78Å; E583-R585 IonicContact OE2-NE 2.86Å; E583-R585 PolarHBondContact OE2-NE 3.5Å; E583-R585 IonicContact OE2-NH2 2.72Å; E583-R585 PolarHBondContact OE2-NH2 3.24Å; R585-K587 PolarHBondContact O-N 3.08Å; R585-E603 IonicContact CZ-OE1 2.65Å; R585-E603 IonicContact NH1-OE1 3.07Å; R585-E603 PolarHBondContact NH1-OE1 3.25Å; R585-E603 IonicContact NH2-OE1 2.69Å; R585-E603 PolarHBondContact NH2-OE1 3.15Å; R585-E603 IonicContact NH2-OE2 3.29Å; R585-I708 HydrophobicContact CB-CG2 4.42Å; R585-I708 HydrophobicContact CG-CG2 3.89Å; R585-L709 PolarHBondContact N-O 3.03Å; R585-Y710 HydrophobicContact CB-CD1 4.2Å; R585-Y710 HydrophobicContact CB-CE1 4.1Å; R585-Y710 WeakPolarHBondContact O-CA 2.99Å; R585-Y711 PolarHBondContact O-N 2.94Å
586	P	91.8	Very high	91.1	Very high	99 Å²	99	50.6 Å²	50.6	64%	0.643	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	125	-179.8	28.5	-34	0	0	0	111.8	K588	P586-K588 PolarHBondContact O-N 3.17Å
587	K	93.2	Very high	91.4	Very high	12 Å²	12	50.1 Å²	50.1	5%	0.052	25%	0.246	C	C	.	.			trans	-77.2	107.3	-175.6	-179.5	175.6	-179.8	171.8	0	112.4	R585 L589 C592 H682 S683 Y711 H712 D715	R585-K587 PolarHBondContact O-N 3.08Å; K587-L589 PolarHBondContact O-N 3.49Å; K587-C592 HydrophobicContact CG-CB 4.28Å; K587-H682 VanDerWaalsContact CD-O 3.28Å; K587-H682 WeakPolarHBondContact CD-O 3.42Å; K587-H682 WeakPolarHBondContact CE-O 3.11Å; K587-H682 PolarHBondContact NZ-O 2.96Å; K587-S683 PolarHBondContact NZ-OG 3.39Å; K587-Y711 WeakPolarHBondContact CB-O 3.34Å; K587-Y711 PolarHBondContact N-O 3.33Å; K587-H712 HydrophobicContact CB-CB 3.79Å; K587-H712 HydrophobicContact CD-CB 4.46Å; K587-H712 HydrophobicContact CG-CB 4.42Å; K587-D715 WeakPolarHBondContact CD-OD2 3.32Å; K587-D715 IonicContact NZ-OD1 3.55Å; K587-D715 IonicContact NZ-OD2 3.55Å; K587-D715 PolarHBondContact NZ-OD2 3.4Å
588	K	88.7	Confident	91.7	Very high	115 Å²	115	52.6 Å²	52.6	50%	0.5	26%	0.261	S	S	.	.			trans	-81.9	99.3	173.7	-61.1	-177.8	-159.9	153.4	0	110.7	P586 K590 N591 C592 E595	P586-K588 PolarHBondContact O-N 3.17Å; K588-K590 PolarHBondContact O-N 3.16Å; K588-N591 HydrophobicContact CB-CB 4.45Å; K588-N591 PolarHBondContact O-N 3.1Å; K588-C592 PolarHBondContact O-N 3.08Å; K588-E595 VanDerWaalsContact CD-OE1 3.24Å; K588-E595 WeakPolarHBondContact CD-OE1 3.15Å; K588-E595 WeakPolarHBondContact CE-OE1 3.33Å; K588-E595 IonicContact NZ-OE1 3.34Å; K588-E595 PolarHBondContact NZ-OE1 3.01Å
589	L	80	Confident	92	Very high	103 Å²	103	51.2 Å²	51.2	54%	0.539	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44	-33.8	-172.5	-65.9	174.4	0	0	0	116.7	K587	K587-L589 PolarHBondContact O-N 3.49Å
590	K	81.3	Confident	92.3	Very high	198 Å²	198	50.4 Å²	50.4	86%	0.861	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-9.3	-179.2	-67.7	-172.5	176.8	-176.7	0	115.6	K588	K588-K590 PolarHBondContact O-N 3.16Å
591	N	87.1	Confident	92.3	Very high	72 Å²	72	56 Å²	56	39%	0.385	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	1.7	-172.4	-77.6	-26.2	0	0	0	113.6	K588 T593 K594 E595	K588-N591 HydrophobicContact CB-CB 4.45Å; K588-N591 PolarHBondContact O-N 3.1Å; N591-T593 VanDerWaalsContact C-N 3.34Å; N591-T593 PolarHBondContact O-N 3.13Å; N591-K594 WeakPolarHBondContact O-CB 3.47Å; N591-K594 PolarHBondContact O-N 3.32Å; N591-K594 PolarHBondContact OD1-NZ 3.06Å; N591-E595 PolarHBondContact O-N 3.31Å; N591-E595 VanDerWaalsContact O-N 3.14Å
592	C	90.8	Very high	92.2	Very high	4 Å²	4	59.5 Å²	59.5	3%	0.027	29%	0.288	C	S	.	.	H	α-helix	trans	-54.8	-45.5	-173.8	-162.6	0	0	0	0	113	K587 K588 K594 E595 I596 Y710	K587-C592 HydrophobicContact CG-CB 4.28Å; K588-C592 PolarHBondContact O-N 3.08Å; C592-K594 VanDerWaalsContact C-N 3.28Å; C592-K594 PolarHBondContact O-N 3.21Å; C592-E595 PolarHBondContact O-N 3.43Å; C592-I596 WeakPolarHBondContact O-CG1 3.48Å; C592-I596 PolarHBondContact O-N 2.96Å; C592-Y710 VanDerWaalsContact SG-CD1 3.56Å
593	T	92.9	Very high	92	Very high	18 Å²	18	62.8 Å²	62.8	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-31.9	178.5	-27.4	0	0	0	0	112.9	N591 I596 I597 V622 E625	N591-T593 VanDerWaalsContact C-N 3.34Å; N591-T593 PolarHBondContact O-N 3.13Å; T593-I596 PolarHBondContact O-N 3.5Å; T593-I597 HydrophobicContact CG2-CD1 4.42Å; T593-I597 WeakPolarHBondContact O-CB 3.43Å; T593-I597 WeakPolarHBondContact O-CD1 3.49Å; T593-I597 VanDerWaalsContact O-CG1 3.22Å; T593-I597 WeakPolarHBondContact O-CG1 3.34Å; T593-I597 PolarHBondContact O-N 3.08Å; T593-V622 HydrophobicContact CG2-CB 4.41Å; T593-V622 HydrophobicContact CG2-CG1 4.01Å; T593-V622 HydrophobicContact CG2-CG2 4.25Å; T593-E625 WeakPolarHBondContact CB-OE2 3.29Å; T593-E625 HydrophobicContact CG2-CB 3.85Å; T593-E625 VanDerWaalsContact CG2-OE2 3.27Å; T593-E625 WeakPolarHBondContact CG2-OE2 3.49Å; T593-E625 PolarHBondContact OG1-OE2 3.38Å
594	K	93.5	Very high	91.8	Very high	122 Å²	122	63 Å²	63	53%	0.53	31%	0.305	S	S	.	.	H	α-helix	trans	-66.7	-42.7	175.5	-60.3	176.4	-171.4	159.4	0	110.9	N591 C592 I596 I597 D598	N591-K594 WeakPolarHBondContact O-CB 3.47Å; N591-K594 PolarHBondContact O-N 3.32Å; N591-K594 PolarHBondContact OD1-NZ 3.06Å; C592-K594 VanDerWaalsContact C-N 3.28Å; C592-K594 PolarHBondContact O-N 3.21Å; K594-I596 VanDerWaalsContact C-N 3.3Å; K594-I596 PolarHBondContact O-N 2.87Å; K594-I597 WeakPolarHBondContact O-CB 3.35Å; K594-I597 PolarHBondContact O-N 3.49Å; K594-D598 WeakPolarHBondContact O-CB 3.46Å; K594-D598 VanDerWaalsContact O-CG 3.27Å; K594-D598 PolarHBondContact O-N 2.82Å
595	E	93.8	Very high	91.4	Very high	45 Å²	45	65.6 Å²	65.6	21%	0.21	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-36.9	173.9	-62	-173.6	166.9	0	0	111.7	K588 N591 C592 D598 V599 Y710	K588-E595 VanDerWaalsContact CD-OE1 3.24Å; K588-E595 WeakPolarHBondContact CD-OE1 3.15Å; K588-E595 WeakPolarHBondContact CE-OE1 3.33Å; K588-E595 IonicContact NZ-OE1 3.34Å; K588-E595 PolarHBondContact NZ-OE1 3.01Å; N591-E595 PolarHBondContact O-N 3.31Å; N591-E595 VanDerWaalsContact O-N 3.14Å; C592-E595 PolarHBondContact O-N 3.43Å; E595-D598 PolarHBondContact O-N 3.31Å; E595-V599 WeakPolarHBondContact O-CB 3.34Å; E595-V599 WeakPolarHBondContact O-CG2 3.24Å; E595-V599 PolarHBondContact O-N 3.43Å; E595-Y710 HydrophobicContact CB-CE1 4.42Å
596	I	95.1	Very high	91	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-65.1	-44.3	173.3	-66.5	170.9	0	0	0	111.1	C592 T593 K594 V599 I600 V611 L626 I680 H682 Y710	C592-I596 WeakPolarHBondContact O-CG1 3.48Å; C592-I596 PolarHBondContact O-N 2.96Å; T593-I596 PolarHBondContact O-N 3.5Å; K594-I596 VanDerWaalsContact C-N 3.3Å; K594-I596 PolarHBondContact O-N 2.87Å; I596-V599 PolarHBondContact O-N 3.19Å; I596-I600 HydrophobicContact CG2-CD1 3.66Å; I596-I600 HydrophobicContact CG2-CG1 4.42Å; I596-I600 WeakPolarHBondContact O-CB 3.47Å; I596-I600 VanDerWaalsContact O-CG1 3.24Å; I596-I600 WeakPolarHBondContact O-CG1 3.36Å; I596-I600 PolarHBondContact O-N 3.09Å; I596-V611 HydrophobicContact CG2-CG2 4.44Å; I596-L626 HydrophobicContact CG2-CD2 4.41Å; I596-I680 HydrophobicContact CD1-CG2 3.99Å; I596-I680 HydrophobicContact CG1-CG2 4.04Å; I596-I680 HydrophobicContact CG2-CD1 4.1Å; I596-H682 HydrophobicContact CD1-CB 4.26Å; I596-Y710 HydrophobicContact CD1-CD2 4.3Å; I596-Y710 HydrophobicContact CD1-CE2 4.17Å; I596-Y710 HydrophobicContact CG1-CD2 4.24Å; I596-Y710 HydrophobicContact CG1-CE2 3.62Å
597	I	95.5	Very high	90.9	Very high	17 Å²	17	73.9 Å²	73.9	9%	0.087	35%	0.345	C	S	.	.	H	α-helix	trans	-57.7	-48.5	174.4	-73.9	156.8	0	0	0	110.8	T593 K594 I600 R601 L626 A629 L631	T593-I597 HydrophobicContact CG2-CD1 4.42Å; T593-I597 WeakPolarHBondContact O-CB 3.43Å; T593-I597 WeakPolarHBondContact O-CD1 3.49Å; T593-I597 VanDerWaalsContact O-CG1 3.22Å; T593-I597 WeakPolarHBondContact O-CG1 3.34Å; T593-I597 PolarHBondContact O-N 3.08Å; K594-I597 WeakPolarHBondContact O-CB 3.35Å; K594-I597 PolarHBondContact O-N 3.49Å; I597-I600 PolarHBondContact O-N 2.73Å; I597-R601 WeakPolarHBondContact O-CB 3.3Å; I597-R601 VanDerWaalsContact O-CG 3.26Å; I597-R601 WeakPolarHBondContact O-CG 3.3Å; I597-R601 PolarHBondContact O-N 3.03Å; I597-L626 HydrophobicContact CG1-CD2 3.69Å; I597-A629 HydrophobicContact CB-CB 4.47Å; I597-A629 HydrophobicContact CD1-CB 3.73Å; I597-A629 HydrophobicContact CG1-CB 3.85Å; I597-A629 HydrophobicContact CG2-CB 3.73Å; I597-L631 HydrophobicContact CG1-CD1 4.41Å; I597-L631 HydrophobicContact CG2-CD1 4.49Å
598	D	94.5	Very high	90.9	Very high	77 Å²	77	73.3 Å²	73.3	41%	0.412	34%	0.343	S	S	.	.	H	α-helix	trans	-68.1	-38.2	-178.1	-67.6	-27.2	0	0	0	111.6	K594 E595 N602	K594-D598 WeakPolarHBondContact O-CB 3.46Å; K594-D598 VanDerWaalsContact O-CG 3.27Å; K594-D598 PolarHBondContact O-N 2.82Å; E595-D598 PolarHBondContact O-N 3.31Å; D598-N602 VanDerWaalsContact O-CB 3.25Å; D598-N602 WeakPolarHBondContact O-CB 3.48Å; D598-N602 VanDerWaalsContact O-CG 3.25Å; D598-N602 PolarHBondContact O-N 3Å; D598-N602 PolarHBondContact O-ND2 2.97Å
599	V	94	Very high	91.2	Very high	12 Å²	12	67.9 Å²	67.9	7%	0.073	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-48.6	172.5	166.1	0	0	0	0	111.3	E595 I596 R601 N602 E603 F604 I680 I708	E595-V599 WeakPolarHBondContact O-CB 3.34Å; E595-V599 WeakPolarHBondContact O-CG2 3.24Å; E595-V599 PolarHBondContact O-N 3.43Å; I596-V599 PolarHBondContact O-N 3.19Å; V599-R601 VanDerWaalsContact C-N 3.33Å; V599-R601 PolarHBondContact O-N 3.46Å; V599-N602 PolarHBondContact O-N 2.91Å; V599-E603 HydrophobicContact CG1-CB 4.48Å; V599-E603 HydrophobicContact CG1-CG 4.43Å; V599-E603 WeakPolarHBondContact O-CA 3.44Å; V599-E603 VanDerWaalsContact O-CB 3.32Å; V599-E603 WeakPolarHBondContact O-CB 3.26Å; V599-E603 PolarHBondContact O-N 3.01Å; V599-F604 HydrophobicContact CG1-CD2 4.09Å; V599-F604 HydrophobicContact CG1-CE2 3.77Å; V599-I680 HydrophobicContact CG1-CD1 4.47Å; V599-I708 HydrophobicContact CG1-CD1 3.8Å
600	I	95.1	Very high	92	Very high	4 Å²	4	63 Å²	63	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-65.5	-37.9	-178.1	-67.8	170.5	0	0	0	111.3	I596 I597 F604 L626 L631 I660 F678 I680	I596-I600 HydrophobicContact CG2-CD1 3.66Å; I596-I600 HydrophobicContact CG2-CG1 4.42Å; I596-I600 WeakPolarHBondContact O-CB 3.47Å; I596-I600 VanDerWaalsContact O-CG1 3.24Å; I596-I600 WeakPolarHBondContact O-CG1 3.36Å; I596-I600 PolarHBondContact O-N 3.09Å; I597-I600 PolarHBondContact O-N 2.73Å; I600-F604 CarbonylContact O-C 3.42Å; I600-F604 WeakPolarHBondContact O-CA 3.45Å; I600-F604 PolarHBondContact O-N 3.02Å; I600-L626 HydrophobicContact CD1-CD2 4.16Å; I600-L631 HydrophobicContact CB-CD1 4.3Å; I600-L631 HydrophobicContact CG2-CD1 4.01Å; I600-L631 HydrophobicContact CG2-CD2 4.17Å; I600-I660 HydrophobicContact CD1-CD1 4.19Å; I600-I660 HydrophobicContact CG2-CD1 3.93Å; I600-F678 HydrophobicContact CB-CZ 4.49Å; I600-F678 HydrophobicContact CD1-CE2 3.64Å; I600-F678 HydrophobicContact CD1-CZ 3.78Å; I600-F678 HydrophobicContact CG1-CD2 4.45Å; I600-F678 HydrophobicContact CG1-CE1 4.38Å; I600-F678 HydrophobicContact CG1-CE2 3.78Å; I600-F678 HydrophobicContact CG1-CZ 3.73Å; I600-F678 HydrophobicContact CG2-CE1 4.34Å; I600-F678 HydrophobicContact CG2-CZ 4Å; I600-I680 HydrophobicContact CD1-CD1 4.12Å; I600-I680 HydrophobicContact CG1-CD1 4Å
601	R	93.4	Very high	92.7	Very high	119 Å²	119	53.6 Å²	53.6	45%	0.449	25%	0.253	S	S	.	.	H	α-helix	trans	-67.2	-43.8	175.8	-75.1	169.3	168.9	-178.8	-7.7	113.3	I597 V599 A629 L631	I597-R601 WeakPolarHBondContact O-CB 3.3Å; I597-R601 VanDerWaalsContact O-CG 3.26Å; I597-R601 WeakPolarHBondContact O-CG 3.3Å; I597-R601 PolarHBondContact O-N 3.03Å; V599-R601 VanDerWaalsContact C-N 3.33Å; V599-R601 PolarHBondContact O-N 3.46Å; R601-A629 PolarHBondContact NH2-O 3.45Å; R601-L631 HydrophobicContact CG-CD2 4.32Å
602	N	93.3	Very high	93.1	Very high	132 Å²	132	50.5 Å²	50.5	71%	0.706	24%	0.236	S	C	*	.	H	α-helix	trans	-91.2	-39.1	-171.2	-64.5	-46.7	0	0	0	113.5	D598 V599	D598-N602 VanDerWaalsContact O-CB 3.25Å; D598-N602 WeakPolarHBondContact O-CB 3.48Å; D598-N602 VanDerWaalsContact O-CG 3.25Å; D598-N602 PolarHBondContact O-N 3Å; D598-N602 PolarHBondContact O-ND2 2.97Å; V599-N602 PolarHBondContact O-N 2.91Å
603	E	91.7	Very high	93.4	Very high	74 Å²	74	50.6 Å²	50.6	35%	0.346	24%	0.237	S	C	.	.	H	α-helix	trans	-93.5	-30.3	-178.4	-56.5	-171	-129	0	0	112.3	R585 V599 P605	R585-E603 IonicContact CZ-OE1 2.65Å; R585-E603 IonicContact NH1-OE1 3.07Å; R585-E603 PolarHBondContact NH1-OE1 3.25Å; R585-E603 IonicContact NH2-OE1 2.69Å; R585-E603 PolarHBondContact NH2-OE1 3.15Å; R585-E603 IonicContact NH2-OE2 3.29Å; V599-E603 HydrophobicContact CG1-CB 4.48Å; V599-E603 HydrophobicContact CG1-CG 4.43Å; V599-E603 WeakPolarHBondContact O-CA 3.44Å; V599-E603 VanDerWaalsContact O-CB 3.32Å; V599-E603 WeakPolarHBondContact O-CB 3.26Å; V599-E603 PolarHBondContact O-N 3.01Å; E603-P605 VanDerWaalsContact C-CD 3.49Å
604	F	92.2	Very high	93.3	Very high	19 Å²	19	51.6 Å²	51.6	8%	0.083	24%	0.241	C	C	.	.	S	Bend	trans	-130.8	40.6	-170.7	-50.7	-66.1	0	0	0	116.4	V599 I600 K606 R607 R677 F678 T706	V599-F604 HydrophobicContact CG1-CD2 4.09Å; V599-F604 HydrophobicContact CG1-CE2 3.77Å; I600-F604 CarbonylContact O-C 3.42Å; I600-F604 WeakPolarHBondContact O-CA 3.45Å; I600-F604 PolarHBondContact O-N 3.02Å; F604-K606 PolarHBondContact O-N 3.27Å; F604-R607 HydrophobicContact CB-CB 4.36Å; F604-R607 PolarHBondContact O-N 3.34Å; F604-R607 VanDerWaalsContact O-N 3.12Å; F604-R677 HydrophobicContact CD1-CB 4.47Å; F604-F678 HydrophobicContact CB-CD1 3.53Å; F604-F678 HydrophobicContact CB-CE1 3.69Å; F604-F678 HydrophobicContact CD1-CB 4.31Å; F604-F678 HydrophobicContact CD1-CD1 4.06Å; F604-F678 HydrophobicContact CD2-CB 3.97Å; F604-F678 AromaticContact CD2-CD1 3.76Å; F604-F678 HydrophobicContact CD2-CD1 3.76Å; F604-F678 HydrophobicContact CD2-CE1 4.43Å; F604-F678 AromaticContact CD2-CG 3.95Å; F604-F678 HydrophobicContact CD2-CG 3.95Å; F604-F678 HydrophobicContact CE1-CB 4.29Å; F604-F678 HydrophobicContact CE2-CB 3.95Å; F604-F678 HydrophobicContact CE2-CG 4.39Å; F604-F678 HydrophobicContact CG-CB 4.18Å; F604-F678 AromaticContact CG-CD1 3.48Å; F604-F678 HydrophobicContact CG-CD1 3.48Å; F604-F678 VanDerWaalsContact CG-CD1 3.48Å; F604-F678 HydrophobicContact CG-CE1 4.14Å; F604-F678 HydrophobicContact CG-CG 4.09Å; F604-F678 HydrophobicContact CZ-CB 4.13Å; F604-T706 HydrophobicContact CZ-CG2 4.32Å
605	P	87.5	Confident	93.3	Very high	78 Å²	78	47.7 Å²	47.7	51%	0.506	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	129.2	-175.3	25	-35.1	0	0	0	112.6	E603 R607	E603-P605 VanDerWaalsContact C-CD 3.49Å; P605-R607 PolarHBondContact O-N 3.18Å
606	K	85.5	Confident	93.3	Very high	188 Å²	188	50.2 Å²	50.2	82%	0.817	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	4.7	-177.5	-53.2	179.8	-179	178.3	0	116.2	F604 K659	F604-K606 PolarHBondContact O-N 3.27Å; K606-K659 WeakPolarHBondContact O-CD 3.43Å; K606-K659 WeakPolarHBondContact O-CE 3.44Å; K606-K659 PolarHBondContact O-NZ 3.43Å
607	R	90.3	Very high	93.2	Very high	142 Å²	142	59.6 Å²	59.6	54%	0.536	27%	0.272	S	S	.	.			trans	-86.9	156.7	178.5	-60.5	-58.4	-170.2	171.6	-0.5	111.8	F604 P605 R677	F604-R607 HydrophobicContact CB-CB 4.36Å; F604-R607 PolarHBondContact O-N 3.34Å; F604-R607 VanDerWaalsContact O-N 3.12Å; P605-R607 PolarHBondContact O-N 3.18Å; R607-R677 HydrophobicContact CB-CB 4Å; R607-R677 HydrophobicContact CB-CG 3.91Å; R607-R677 HydrophobicContact CG-CB 4.46Å; R607-R677 HydrophobicContact CG-CG 4.02Å
608	S	93.2	Very high	93.2	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.007	28%	0.275	C	S	.	.			trans	-93	146.2	-179.6	-66.2	0	0	0	0	112.9	E655 K659 R677	S608-E655 WeakPolarHBondContact CB-OE1 3.16Å; S608-E655 PolarHBondContact OG-OE1 3.45Å; S608-K659 CarbonylContact C-O 3.55Å; S608-K659 WeakPolarHBondContact CA-O 3.5Å; S608-K659 WeakPolarHBondContact CB-O 3.35Å; S608-R677 PolarHBondContact O-N 3.17Å
609	G	94.8	Very high	93.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	176.6	-174.4	0	0	0	0	0	114.5	W652 K659 I660 V661 F678	G609-W652 PolarHBondContact O-NE1 3.38Å; G609-K659 PolarHBondContact N-O 2.95Å; G609-I660 WeakPolarHBondContact O-CA 3.47Å; G609-V661 PolarHBondContact O-N 3.15Å; G609-F678 CarbonylContact C-O 3.57Å; G609-F678 WeakPolarHBondContact CA-O 3.49Å
610	I	95.6	Very high	93.4	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.9	-178.7	-49.9	176.6	0	0	0	109.3	Y612 W652 A663 F667 V676 F678 V679 I680 R697	I610-Y612 HydrophobicContact CB-CE2 4.49Å; I610-Y612 HydrophobicContact CG2-CD1 4.49Å; I610-Y612 HydrophobicContact CG2-CD2 4.04Å; I610-Y612 HydrophobicContact CG2-CE1 4.27Å; I610-Y612 HydrophobicContact CG2-CE2 3.78Å; I610-Y612 HydrophobicContact CG2-CG 4.39Å; I610-W652 HydrophobicContact CD1-CH2 3.94Å; I610-W652 HydrophobicContact CD1-CZ2 4.19Å; I610-W652 HydrophobicContact CG1-CH2 3.93Å; I610-W652 HydrophobicContact CG1-CZ2 3.64Å; I610-A663 HydrophobicContact CG2-CB 4.06Å; I610-F667 HydrophobicContact CD1-CD1 4.32Å; I610-F667 HydrophobicContact CD1-CE1 3.98Å; I610-F667 HydrophobicContact CG1-CE1 4.13Å; I610-F667 HydrophobicContact CG2-CD1 4.08Å; I610-F667 HydrophobicContact CG2-CE1 4.25Å; I610-V676 HydrophobicContact CD1-CG1 4.46Å; I610-V676 HydrophobicContact CG1-CG1 4.28Å; I610-F678 PolarHBondContact N-O 3.43Å; I610-V679 HydrophobicContact CB-CG2 4.35Å; I610-V679 HydrophobicContact CD1-CG2 4.5Å; I610-V679 WeakPolarHBondContact O-CA 3.45Å; I610-I680 PolarHBondContact O-N 2.96Å; I610-R697 HydrophobicContact CD1-CB 4.3Å
611	V	96.8	Very high	93.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	109.6	170.8	-174.8	0	0	0	0	109.1	I596 V622 I660 V661 C662 A663 I680 H682	I596-V611 HydrophobicContact CG2-CG2 4.44Å; V611-V622 HydrophobicContact CG1-CG1 4.13Å; V611-I660 HydrophobicContact CG2-CG2 3.87Å; V611-V661 PolarHBondContact N-O 3.08Å; V611-C662 CarbonylContact O-C 3.52Å; V611-C662 WeakPolarHBondContact O-CA 3.45Å; V611-A663 PolarHBondContact O-N 3.43Å; V611-I680 CarbonylContact C-O 3.59Å; V611-I680 VanDerWaalsContact CA-O 3.24Å; V611-I680 WeakPolarHBondContact CA-O 3.11Å; V611-I680 HydrophobicContact CG1-CG2 4.48Å; V611-I680 HydrophobicContact CG2-CB 4.41Å; V611-H682 HydrophobicContact CG1-CB 4.09Å
612	Y	96.5	Very high	93.5	Very high	7 Å²	7	57.1 Å²	57.1	3%	0.027	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.3	-179.9	-80.5	-65.4	0	0	0	112.1	I610 A663 G668 V679 I680 H681 H682 E694 R697	I610-Y612 HydrophobicContact CB-CE2 4.49Å; I610-Y612 HydrophobicContact CG2-CD1 4.49Å; I610-Y612 HydrophobicContact CG2-CD2 4.04Å; I610-Y612 HydrophobicContact CG2-CE1 4.27Å; I610-Y612 HydrophobicContact CG2-CE2 3.78Å; I610-Y612 HydrophobicContact CG2-CG 4.39Å; Y612-A663 CarbonylContact C-O 3.06Å; Y612-A663 WeakPolarHBondContact CA-O 3.37Å; Y612-A663 HydrophobicContact CD1-CB 3.84Å; Y612-A663 HydrophobicContact CE1-CB 3.82Å; Y612-G668 WeakPolarHBondContact OH-CA 3.23Å; Y612-V679 HydrophobicContact CD2-CG1 3.82Å; Y612-V679 HydrophobicContact CE2-CG1 4.02Å; Y612-I680 PolarHBondContact N-O 2.94Å; Y612-H681 AromaticContact CD2-NE2 3.73Å; Y612-H682 WeakPolarHBondContact O-CB 3.42Å; Y612-H682 PolarHBondContact O-N 3.34Å; Y612-E694 HydrophobicContact CD2-CB 4.04Å; Y612-E694 HydrophobicContact CD2-CG 4.4Å; Y612-E694 HydrophobicContact CE2-CB 3.68Å; Y612-E694 HydrophobicContact CE2-CG 4Å; Y612-R697 VanDerWaalsContact OH-CD 3.29Å; Y612-R697 WeakPolarHBondContact OH-CD 3.32Å; Y612-R697 PolarHBondContact OH-NE 2.87Å
613	C	95.4	Very high	93.7	Very high	7 Å²	7	50.8 Å²	50.8	5%	0.047	24%	0.236	C	C	.	.			trans	-115.4	151.5	179.2	-72.7	0	0	0	0	111.2	E618 A663	C613-E618 HydrophobicContact CB-CB 3.8Å; C613-A663 PolarHBondContact N-O 2.89Å
614	L	92.5	Very high	93.9	Very high	39 Å²	39	52.3 Å²	52.3	20%	0.204	24%	0.242	C	C	.	.	S	Bend	trans	-75.5	-36.2	-175.7	179.6	56.3	0	0	0	113.5	R718 L719 L722	L614-R718 HydrophobicContact CD2-CB 3.94Å; L614-L719 HydrophobicContact CD1-CD2 3.59Å; L614-L719 HydrophobicContact CD1-CG 4.35Å; L614-L719 HydrophobicContact CD2-CD2 4.35Å; L614-L719 HydrophobicContact CD2-CG 4.22Å; L614-L722 HydrophobicContact CD1-CD1 3.96Å; L614-L722 HydrophobicContact CG-CD1 4.4Å
615	S	91.9	Very high	94.1	Very high	40 Å²	40	55.6 Å²	55.6	28%	0.28	26%	0.258	S	S	.	.	S	Bend	trans	-124.4	156.4	-177.7	67.7	0	0	0	0	113.2	R617 E618 C619	S615-R617 VanDerWaalsContact C-N 3.32Å; S615-R617 PolarHBondContact O-N 2.85Å; S615-E618 WeakPolarHBondContact CB-OE2 3.2Å; S615-E618 PolarHBondContact N-OE2 2.91Å; S615-E618 PolarHBondContact O-N 3.48Å; S615-E618 WeakPolarHBondContact OG-CG 3.46Å; S615-E618 PolarHBondContact OG-N 2.99Å; S615-E618 PolarHBondContact OG-OE2 3.49Å; S615-C619 PolarHBondContact O-N 3.43Å
616	R	93.9	Very high	94.5	Very high	97 Å²	97	51.9 Å²	51.9	37%	0.366	23%	0.234	S	C	.	.	H	α-helix	trans	-49.9	-52.5	177.7	-57.8	-175.1	-170.6	165.2	6.6	111	S85 E618 C619 D620 H637	S85-R616 PolarHBondContact O-NH2 3.42Å; S85-R616 VanDerWaalsContact O-NH2 3.11Å; R616-E618 VanDerWaalsContact C-N 3.31Å; R616-E618 PolarHBondContact O-N 3.41Å; R616-C619 WeakPolarHBondContact O-CA 3.37Å; R616-C619 WeakPolarHBondContact O-CB 3.49Å; R616-C619 PolarHBondContact O-N 3.43Å; R616-D620 PolarHBondContact O-N 3Å; R616-H637 VanDerWaalsContact CA-CD2 3.4Å; R616-H637 WeakPolarHBondContact CA-CD2 3.41Å; R616-H637 HydrophobicContact CB-CB 4.42Å; R616-H637 VanDerWaalsContact CB-CD2 3.49Å; R616-H637 WeakPolarHBondContact CB-CD2 3.45Å; R616-H637 HydrophobicContact CG-CB 4.1Å; R616-H637 PolarHBondContact O-CD2 3.33Å
617	R	94.2	Very high	94.9	Very high	198 Å²	198	47.1 Å²	47.1	75%	0.747	21%	0.213	S	C	*	.	H	α-helix	trans	-58	-32.5	177.2	-175.9	178.6	179.2	179.5	1.6	114.7	S615 V621	S615-R617 VanDerWaalsContact C-N 3.32Å; S615-R617 PolarHBondContact O-N 2.85Å; R617-V621 WeakPolarHBondContact O-CG2 3.39Å; R617-V621 PolarHBondContact O-N 3.34Å; R617-V621 VanDerWaalsContact O-N 3.1Å
618	E	94.2	Very high	95.2	Very high	31 Å²	31	44.8 Å²	44.8	15%	0.145	23%	0.225	C	C	.	.	H	α-helix	trans	-73.3	-27.8	175	-78.5	163.1	122.1	0	0	112.2	C613 S615 R616 V622 H682 R718	C613-E618 HydrophobicContact CB-CB 3.8Å; S615-E618 WeakPolarHBondContact CB-OE2 3.2Å; S615-E618 PolarHBondContact N-OE2 2.91Å; S615-E618 PolarHBondContact O-N 3.48Å; S615-E618 WeakPolarHBondContact OG-CG 3.46Å; S615-E618 PolarHBondContact OG-N 2.99Å; S615-E618 PolarHBondContact OG-OE2 3.49Å; R616-E618 VanDerWaalsContact C-N 3.31Å; R616-E618 PolarHBondContact O-N 3.41Å; E618-V622 VanDerWaalsContact O-CB 3.26Å; E618-V622 WeakPolarHBondContact O-CB 3.44Å; E618-V622 VanDerWaalsContact O-CG2 3.24Å; E618-V622 WeakPolarHBondContact O-CG2 3.19Å; E618-V622 PolarHBondContact O-N 3.08Å; E618-V622 VanDerWaalsContact O-N 3.11Å; E618-H682 IonicContact OE1-CE1 2.79Å; E618-R718 IonicContact OE1-CZ 3.2Å; E618-R718 IonicContact OE1-NH1 2.75Å; E618-R718 PolarHBondContact OE1-NH1 3.49Å; E618-R718 IonicContact OE1-NH2 2.83Å; E618-R718 PolarHBondContact OE1-NH2 3.25Å; E618-R718 IonicContact OE2-CZ 3.68Å; E618-R718 IonicContact OE2-NH1 2.8Å; E618-R718 IonicContact OE2-NH2 2.76Å; E618-R718 PolarHBondContact OE2-NH2 3.44Å
619	C	96	Very high	95.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.5	-46.8	170.8	-58.1	0	0	0	0	110.9	S615 R616 A623 A635 C662 T664	S615-C619 PolarHBondContact O-N 3.43Å; R616-C619 WeakPolarHBondContact O-CA 3.37Å; R616-C619 WeakPolarHBondContact O-CB 3.49Å; R616-C619 PolarHBondContact O-N 3.43Å; C619-A623 WeakPolarHBondContact O-CB 3.45Å; C619-A623 PolarHBondContact O-N 3.44Å; C619-A635 HydrophobicContact CB-CB 4.07Å; C619-C662 HydrophobicContact CB-CB 4.42Å; C619-C662 WeakPolarHBondContact CB-O 3.41Å; C619-C662 WeakPolarHBondContact O-CB 3.16Å; C619-T664 PolarHBondContact SG-N 3.17Å; C619-T664 VanDerWaalsContact SG-N 3.45Å
620	D	96.5	Very high	95.1	Very high	70 Å²	70	48.9 Å²	48.9	37%	0.374	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-52.5	179.6	-58.7	-48.5	0	0	0	111.4	R616 V622 A623 E624 H637	R616-D620 PolarHBondContact O-N 3Å; D620-V622 PolarHBondContact O-N 3.32Å; D620-A623 PolarHBondContact O-N 3.48Å; D620-E624 PolarHBondContact O-N 2.92Å; D620-H637 IonicContact OD1-NE2 2.68Å; D620-H637 PolarHBondContact OD1-NE2 3.46Å; D620-H637 IonicContact OD2-NE2 3.19Å
621	V	95.6	Very high	95	Very high	72 Å²	72	50.3 Å²	50.3	44%	0.436	27%	0.273	S	S	.	.	H	α-helix	trans	-61	-46.5	-178.4	171.5	0	0	0	0	111.3	R617 A623 E624 E625	R617-V621 WeakPolarHBondContact O-CG2 3.39Å; R617-V621 PolarHBondContact O-N 3.34Å; R617-V621 VanDerWaalsContact O-N 3.1Å; V621-A623 PolarHBondContact O-N 3.33Å; V621-E624 PolarHBondContact O-N 2.56Å; V621-E625 WeakPolarHBondContact O-CB 3.21Å; V621-E625 WeakPolarHBondContact O-CG 3.3Å; V621-E625 PolarHBondContact O-N 3.19Å
622	V	96.1	Very high	94.8	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-67.4	-36.8	179.1	171	0	0	0	0	111.3	T593 V611 E618 D620 L626	T593-V622 HydrophobicContact CG2-CB 4.41Å; T593-V622 HydrophobicContact CG2-CG1 4.01Å; T593-V622 HydrophobicContact CG2-CG2 4.25Å; V611-V622 HydrophobicContact CG1-CG1 4.13Å; E618-V622 VanDerWaalsContact O-CB 3.26Å; E618-V622 WeakPolarHBondContact O-CB 3.44Å; E618-V622 VanDerWaalsContact O-CG2 3.24Å; E618-V622 WeakPolarHBondContact O-CG2 3.19Å; E618-V622 PolarHBondContact O-N 3.08Å; E618-V622 VanDerWaalsContact O-N 3.11Å; D620-V622 PolarHBondContact O-N 3.32Å; V622-L626 HydrophobicContact CG1-CD1 3.79Å; V622-L626 HydrophobicContact CG1-CG 4.38Å; V622-L626 WeakPolarHBondContact O-CB 3.39Å; V622-L626 WeakPolarHBondContact O-CD1 3.34Å; V622-L626 WeakPolarHBondContact O-CG 3.39Å; V622-L626 PolarHBondContact O-N 3.36Å
623	A	96.5	Very high	94.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-44.7	175.4	0	0	0	0	0	112.2	C619 D620 V621 L626 K627 A635 C662	C619-A623 WeakPolarHBondContact O-CB 3.45Å; C619-A623 PolarHBondContact O-N 3.44Å; D620-A623 PolarHBondContact O-N 3.48Å; V621-A623 PolarHBondContact O-N 3.33Å; A623-L626 PolarHBondContact O-N 3.03Å; A623-K627 WeakPolarHBondContact O-CB 3.31Å; A623-K627 VanDerWaalsContact O-CG 3.27Å; A623-K627 WeakPolarHBondContact O-CG 3.46Å; A623-K627 PolarHBondContact O-N 3.47Å; A623-A635 HydrophobicContact CB-CB 4.11Å; A623-C662 HydrophobicContact CB-CB 4.08Å
624	E	96.5	Very high	94.8	Very high	105 Å²	105	55.5 Å²	55.5	49%	0.491	30%	0.3	S	S	.	.	H	α-helix	trans	-68.8	-37.8	177.2	-65.6	-50.3	134.4	0	0	112.7	D620 V621 L626 K627 A628	D620-E624 PolarHBondContact O-N 2.92Å; V621-E624 PolarHBondContact O-N 2.56Å; E624-L626 VanDerWaalsContact C-N 3.35Å; E624-L626 PolarHBondContact O-N 2.93Å; E624-K627 PolarHBondContact O-N 3.02Å; E624-K627 IonicContact OE1-NZ 2.69Å; E624-K627 PolarHBondContact OE1-NZ 3.13Å; E624-K627 WeakPolarHBondContact OE2-CD 3.36Å; E624-K627 IonicContact OE2-NZ 3.05Å; E624-A628 VanDerWaalsContact O-CB 3.31Å; E624-A628 WeakPolarHBondContact O-CB 3.4Å; E624-A628 PolarHBondContact O-N 3.09Å
625	E	96.2	Very high	95	Very high	89 Å²	89	54.2 Å²	54.2	42%	0.416	30%	0.295	S	S	.	.	H	α-helix	trans	-64	-38	173.5	-74.5	-174.7	153.5	0	0	112.1	T593 V621 A629	T593-E625 WeakPolarHBondContact CB-OE2 3.29Å; T593-E625 HydrophobicContact CG2-CB 3.85Å; T593-E625 VanDerWaalsContact CG2-OE2 3.27Å; T593-E625 WeakPolarHBondContact CG2-OE2 3.49Å; T593-E625 PolarHBondContact OG1-OE2 3.38Å; V621-E625 WeakPolarHBondContact O-CB 3.21Å; V621-E625 WeakPolarHBondContact O-CG 3.3Å; V621-E625 PolarHBondContact O-N 3.19Å; E625-A629 PolarHBondContact O-N 3.37Å; E625-A629 VanDerWaalsContact O-N 3.13Å
626	L	95.5	Very high	95	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.9	-42.7	173.2	-72.8	164.9	0	0	0	112.2	I596 I597 I600 V622 A623 E624 A629 G630 L631 A633 I660 C662	I596-L626 HydrophobicContact CG2-CD2 4.41Å; I597-L626 HydrophobicContact CG1-CD2 3.69Å; I600-L626 HydrophobicContact CD1-CD2 4.16Å; V622-L626 HydrophobicContact CG1-CD1 3.79Å; V622-L626 HydrophobicContact CG1-CG 4.38Å; V622-L626 WeakPolarHBondContact O-CB 3.39Å; V622-L626 WeakPolarHBondContact O-CD1 3.34Å; V622-L626 WeakPolarHBondContact O-CG 3.39Å; V622-L626 PolarHBondContact O-N 3.36Å; A623-L626 PolarHBondContact O-N 3.03Å; E624-L626 VanDerWaalsContact C-N 3.35Å; E624-L626 PolarHBondContact O-N 2.93Å; L626-A629 CarbonylContact O-C 3.49Å; L626-A629 WeakPolarHBondContact O-CA 3.45Å; L626-A629 WeakPolarHBondContact O-CB 3.45Å; L626-A629 PolarHBondContact O-N 2.93Å; L626-A629 VanDerWaalsContact O-N 3.14Å; L626-G630 PolarHBondContact O-N 2.97Å; L626-L631 HydrophobicContact CB-CB 4.41Å; L626-L631 HydrophobicContact CD2-CD1 3.61Å; L626-L631 WeakPolarHBondContact O-CB 3.36Å; L626-L631 PolarHBondContact O-N 2.76Å; L626-A633 HydrophobicContact CB-CB 3.51Å; L626-A633 HydrophobicContact CD1-CB 3.95Å; L626-A633 HydrophobicContact CG-CB 4.38Å; L626-I660 HydrophobicContact CD1-CG2 4.29Å; L626-C662 VanDerWaalsContact CD1-SG 3.5Å
627	K	95.6	Very high	95	Very high	88 Å²	88	49.1 Å²	49.1	38%	0.383	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-44.6	174.2	-74.4	169.7	-174.7	177	0	111.8	A623 E624 A629 G630 L631 A633	A623-K627 WeakPolarHBondContact O-CB 3.31Å; A623-K627 VanDerWaalsContact O-CG 3.27Å; A623-K627 WeakPolarHBondContact O-CG 3.46Å; A623-K627 PolarHBondContact O-N 3.47Å; E624-K627 PolarHBondContact O-N 3.02Å; E624-K627 IonicContact OE1-NZ 2.69Å; E624-K627 PolarHBondContact OE1-NZ 3.13Å; E624-K627 WeakPolarHBondContact OE2-CD 3.36Å; E624-K627 IonicContact OE2-NZ 3.05Å; K627-A629 PolarHBondContact O-N 3.19Å; K627-G630 WeakPolarHBondContact O-CA 3.45Å; K627-G630 PolarHBondContact O-N 2.85Å; K627-L631 WeakPolarHBondContact CA-O 3.22Å; K627-A633 WeakPolarHBondContact CE-O 3.46Å; K627-A633 WeakPolarHBondContact CG-O 3.17Å
628	A	94.9	Very high	94.6	Very high	93 Å²	93	42.2 Å²	42.2	77%	0.769	26%	0.256	S	S	*	.	H	α-helix	trans	-62.2	-28	175.6	0	0	0	0	0	112.3	E624 G630	E624-A628 VanDerWaalsContact O-CB 3.31Å; E624-A628 WeakPolarHBondContact O-CB 3.4Å; E624-A628 PolarHBondContact O-N 3.09Å; A628-G630 PolarHBondContact O-N 3.28Å
629	A	93.6	Very high	94.4	Very high	19 Å²	19	42.9 Å²	42.9	16%	0.157	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	6.2	170.4	0	0	0	0	0	114.5	I597 R601 E625 L626 K627	I597-A629 HydrophobicContact CB-CB 4.47Å; I597-A629 HydrophobicContact CD1-CB 3.73Å; I597-A629 HydrophobicContact CG1-CB 3.85Å; I597-A629 HydrophobicContact CG2-CB 3.73Å; R601-A629 PolarHBondContact NH2-O 3.45Å; E625-A629 PolarHBondContact O-N 3.37Å; E625-A629 VanDerWaalsContact O-N 3.13Å; L626-A629 CarbonylContact O-C 3.49Å; L626-A629 WeakPolarHBondContact O-CA 3.45Å; L626-A629 WeakPolarHBondContact O-CB 3.45Å; L626-A629 PolarHBondContact O-N 2.93Å; L626-A629 VanDerWaalsContact O-N 3.14Å; K627-A629 PolarHBondContact O-N 3.19Å
630	G	92.5	Very high	94.1	Very high	68 Å²	68	44.2 Å²	44.2	70%	0.701	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	16	179	0	0	0	0	0	114.7	L626 K627 A628	L626-G630 PolarHBondContact O-N 2.97Å; K627-G630 WeakPolarHBondContact O-CA 3.45Å; K627-G630 PolarHBondContact O-N 2.85Å; A628-G630 PolarHBondContact O-N 3.28Å
631	L	93.7	Very high	93.8	Very high	31 Å²	31	44.9 Å²	44.9	16%	0.162	28%	0.284	C	S	.	.			trans	-95.3	142.1	177.9	-61.7	170.3	0	0	0	110.9	I597 I600 R601 L626 K627 A633 I660	I597-L631 HydrophobicContact CG1-CD1 4.41Å; I597-L631 HydrophobicContact CG2-CD1 4.49Å; I600-L631 HydrophobicContact CB-CD1 4.3Å; I600-L631 HydrophobicContact CG2-CD1 4.01Å; I600-L631 HydrophobicContact CG2-CD2 4.17Å; R601-L631 HydrophobicContact CG-CD2 4.32Å; L626-L631 HydrophobicContact CB-CB 4.41Å; L626-L631 HydrophobicContact CD2-CD1 3.61Å; L626-L631 WeakPolarHBondContact O-CB 3.36Å; L626-L631 PolarHBondContact O-N 2.76Å; K627-L631 WeakPolarHBondContact CA-O 3.22Å; L631-A633 VanDerWaalsContact C-N 3.27Å; L631-A633 PolarHBondContact O-N 2.91Å; L631-I660 HydrophobicContact CB-CD1 3.84Å; L631-I660 HydrophobicContact CD1-CD1 4.34Å
632	Q	93.9	Very high	93.1	Very high	93 Å²	93	45 Å²	45	44%	0.435	28%	0.282	S	S	.	.			trans	-77.1	72.6	-178.4	-75.4	177.1	-34	0	0	111.5	K657 K659 I660	Q632-K657 WeakPolarHBondContact CB-O 3.22Å; Q632-K659 HydrophobicContact CB-CB 4.41Å; Q632-K659 PolarHBondContact O-N 3.27Å; Q632-I660 PolarHBondContact O-N 3.18Å
633	A	95.3	Very high	92.5	Very high	4 Å²	4	47 Å²	47	3%	0.033	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	148.9	-176.7	0	0	0	0	0	113.7	L626 K627 L631 I660	L626-A633 HydrophobicContact CB-CB 3.51Å; L626-A633 HydrophobicContact CD1-CB 3.95Å; L626-A633 HydrophobicContact CG-CB 4.38Å; K627-A633 WeakPolarHBondContact CE-O 3.46Å; K627-A633 WeakPolarHBondContact CG-O 3.17Å; L631-A633 VanDerWaalsContact C-N 3.27Å; L631-A633 PolarHBondContact O-N 2.91Å; A633-I660 CarbonylContact C-O 3.59Å; A633-I660 VanDerWaalsContact CA-O 3.24Å; A633-I660 WeakPolarHBondContact CA-O 3.31Å; A633-I660 HydrophobicContact CB-CB 4.11Å
634	S	95.7	Very high	92.2	Very high	25 Å²	25	51.7 Å²	51.7	18%	0.175	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	149.9	172.6	-68.4	0	0	0	0	111.1	I660 V661 C662	S634-I660 PolarHBondContact N-O 2.96Å; S634-V661 CarbonylContact O-C 3.13Å; S634-V661 WeakPolarHBondContact O-CA 3.34Å; S634-C662 PolarHBondContact O-N 2.94Å
635	A	95.9	Very high	91.7	Very high	13 Å²	13	50.1 Å²	50.1	11%	0.107	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	152.3	171.5	0	0	0	0	0	111.7	C619 A623 M640 C662	C619-A635 HydrophobicContact CB-CB 4.07Å; A623-A635 HydrophobicContact CB-CB 4.11Å; A635-M640 WeakPolarHBondContact O-CE 3.47Å; A635-C662 CarbonylContact C-O 3.58Å; A635-C662 WeakPolarHBondContact CA-O 3.25Å
636	Y	93.2	Very high	91.1	Very high	18 Å²	18	52.1 Å²	52.1	7%	0.071	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	120.3	169.7	-170.1	-72	0	0	0	111.7	R645 V648 Q649 V661 C662 A663 T664 F667	Y636-R645 HydrophobicContact CE1-CG 4.48Å; Y636-R645 HydrophobicContact CE2-CB 3.75Å; Y636-R645 HydrophobicContact CE2-CG 4.18Å; Y636-R645 WeakPolarHBondContact CE2-O 3.29Å; Y636-V648 HydrophobicContact CD2-CG1 4.32Å; Y636-Q649 HydrophobicContact CE2-CB 4.35Å; Y636-V661 VanDerWaalsContact CB-CG1 3.45Å; Y636-V661 HydrophobicContact CG-CG1 4.44Å; Y636-C662 PolarHBondContact N-O 3.49Å; Y636-A663 WeakPolarHBondContact O-CA 3.22Å; Y636-T664 PolarHBondContact O-N 2.69Å; Y636-T664 VanDerWaalsContact O-N 3.14Å; Y636-F667 HydrophobicContact CD1-CB 3.62Å; Y636-F667 AromaticContact CD1-CD2 3.54Å; Y636-F667 HydrophobicContact CD1-CD2 3.54Å; Y636-F667 HydrophobicContact CD1-CG 4.01Å; Y636-F667 AromaticContact CD2-CD2 3.49Å; Y636-F667 HydrophobicContact CD2-CD2 3.49Å; Y636-F667 VanDerWaalsContact CD2-CD2 3.49Å; Y636-F667 AromaticContact CD2-CE2 3.79Å; Y636-F667 HydrophobicContact CD2-CE2 3.79Å; Y636-F667 HydrophobicContact CE1-CB 4.04Å; Y636-F667 AromaticContact CE1-CD2 3.83Å; Y636-F667 HydrophobicContact CE1-CD2 3.83Å; Y636-F667 HydrophobicContact CE1-CG 4.44Å; Y636-F667 AromaticContact CE2-CD2 3.74Å; Y636-F667 HydrophobicContact CE2-CD2 3.74Å; Y636-F667 HydrophobicContact CE2-CE2 4.09Å; Y636-F667 HydrophobicContact CG-CB 4.18Å; Y636-F667 AromaticContact CG-CD2 3.37Å; Y636-F667 HydrophobicContact CG-CD2 3.37Å; Y636-F667 HydrophobicContact CG-CE2 4.05Å; Y636-F667 HydrophobicContact CG-CG 4.1Å; Y636-F667 AromaticContact CZ-CD2 3.9Å
637	H	93	Very high	90.7	Very high	11 Å²	11	57.4 Å²	57.4	5%	0.051	34%	0.343	C	S	.	.			trans	-161.8	165.9	174.2	55	43.8	0	0	0	113	R616 D620 G639 M640 T664	R616-H637 VanDerWaalsContact CA-CD2 3.4Å; R616-H637 WeakPolarHBondContact CA-CD2 3.41Å; R616-H637 HydrophobicContact CB-CB 4.42Å; R616-H637 VanDerWaalsContact CB-CD2 3.49Å; R616-H637 WeakPolarHBondContact CB-CD2 3.45Å; R616-H637 HydrophobicContact CG-CB 4.1Å; R616-H637 PolarHBondContact O-CD2 3.33Å; D620-H637 IonicContact OD1-NE2 2.68Å; D620-H637 PolarHBondContact OD1-NE2 3.46Å; D620-H637 IonicContact OD2-NE2 3.19Å; H637-G639 PolarHBondContact ND1-N 3.3Å; H637-G639 PolarHBondContact O-N 3.47Å; H637-M640 WeakPolarHBondContact O-CB 3.45Å; H637-M640 PolarHBondContact O-N 2.98Å; H637-T664 HydrophobicContact CB-CG2 4.02Å; H637-T664 WeakPolarHBondContact CB-OG1 3.47Å
638	A	87	Confident	90.4	Very high	54 Å²	54	54.3 Å²	54.3	45%	0.446	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-12	178.6	0	0	0	0	0	115.7	M640	A638-M640 VanDerWaalsContact C-N 3.26Å; A638-M640 PolarHBondContact O-N 3.42Å
639	G	88.7	Confident	90	Very high	45 Å²	45	51.7 Å²	51.7	46%	0.464	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	3.4	170.3	0	0	0	0	0	115.3	H637	H637-G639 PolarHBondContact ND1-N 3.3Å; H637-G639 PolarHBondContact O-N 3.47Å
640	M	90.9	Very high	89.4	Confident	28 Å²	28	53 Å²	53	14%	0.138	31%	0.306	C	S	.	.	S	Bend	trans	-103.6	147.4	175.7	-71	160.5	71.4	0	0	110.3	A635 H637 A638 Q644 R645 V648	A635-M640 WeakPolarHBondContact O-CE 3.47Å; H637-M640 WeakPolarHBondContact O-CB 3.45Å; H637-M640 PolarHBondContact O-N 2.98Å; A638-M640 VanDerWaalsContact C-N 3.26Å; A638-M640 PolarHBondContact O-N 3.42Å; M640-Q644 HydrophobicContact CB-CB 4.12Å; M640-Q644 HydrophobicContact CE-CB 3.94Å; M640-R645 HydrophobicContact CB-CG 3.84Å; M640-V648 HydrophobicContact CE-CG2 3.94Å
641	T	89	Confident	89.2	Confident	83 Å²	83	50.8 Å²	50.8	51%	0.509	28%	0.281	S	S	.	.			trans	-65.7	155.3	176.5	72.9	0	0	0	0	111.3	A643 Q644 R645	T641-A643 PolarHBondContact O-N 3.31Å; T641-Q644 CarbonylContact O-C 3.57Å; T641-Q644 WeakPolarHBondContact O-CA 3.44Å; T641-Q644 WeakPolarHBondContact O-CB 3.38Å; T641-Q644 PolarHBondContact O-N 3.43Å; T641-Q644 WeakPolarHBondContact OG1-CG 3.48Å; T641-Q644 PolarHBondContact OG1-N 3.03Å; T641-Q644 PolarHBondContact OG1-OE1 2.55Å; T641-R645 WeakPolarHBondContact O-CG 3.4Å; T641-R645 PolarHBondContact O-N 3.33Å
642	D	80.7	Confident	89	Confident	74 Å²	74	49.3 Å²	49.3	40%	0.396	27%	0.273	S	S	.	.	H	α-helix	trans	-60.1	-33	-178	-62.7	-10	0	0	0	113	R645 R646	D642-R645 PolarHBondContact O-N 3.3Å; D642-R645 IonicContact OD1-CZ 3.78Å; D642-R645 IonicContact OD1-NE 2.78Å; D642-R645 PolarHBondContact OD1-NE 2.82Å; D642-R645 IonicContact OD1-NH2 3.2Å; D642-R645 PolarHBondContact OD1-NH2 2.88Å; D642-R646 VanDerWaalsContact O-CB 3.32Å; D642-R646 WeakPolarHBondContact O-CB 3.42Å; D642-R646 VanDerWaalsContact O-CG 3.29Å; D642-R646 WeakPolarHBondContact O-CG 3.42Å; D642-R646 PolarHBondContact O-N 2.87Å
643	A	84.7	Confident	88.5	Confident	47 Å²	47	45.2 Å²	45.2	39%	0.388	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-45.1	171.4	0	0	0	0	0	111.7	T641 N647	T641-A643 PolarHBondContact O-N 3.31Å; A643-N647 VanDerWaalsContact O-CB 3.3Å; A643-N647 WeakPolarHBondContact O-CB 3.35Å; A643-N647 PolarHBondContact O-N 3.31Å; A643-N647 PolarHBondContact O-ND2 3.19Å; A643-N647 PolarHBondContact O-OD1 3.03Å
644	Q	89.5	Confident	87.8	Confident	97 Å²	97	47.8 Å²	47.8	45%	0.453	27%	0.266	S	S	.	.	H	α-helix	trans	-64.6	-43.9	175.3	-69.1	169	-29.3	0	0	111.8	M640 T641 N647 V648	M640-Q644 HydrophobicContact CB-CB 4.12Å; M640-Q644 HydrophobicContact CE-CB 3.94Å; T641-Q644 CarbonylContact O-C 3.57Å; T641-Q644 WeakPolarHBondContact O-CA 3.44Å; T641-Q644 WeakPolarHBondContact O-CB 3.38Å; T641-Q644 PolarHBondContact O-N 3.43Å; T641-Q644 WeakPolarHBondContact OG1-CG 3.48Å; T641-Q644 PolarHBondContact OG1-N 3.03Å; T641-Q644 PolarHBondContact OG1-OE1 2.55Å; Q644-N647 PolarHBondContact O-N 3.08Å; Q644-V648 PolarHBondContact O-N 3.2Å
645	R	86.7	Confident	87	Confident	72 Å²	72	48.6 Å²	48.6	27%	0.272	27%	0.267	S	S	.	.	H	α-helix	trans	-59.8	-50.2	177.3	-68.7	-163.2	-72.8	164	-9.7	111.2	Y636 M640 T641 D642 V648 Q649	Y636-R645 HydrophobicContact CE1-CG 4.48Å; Y636-R645 HydrophobicContact CE2-CB 3.75Å; Y636-R645 HydrophobicContact CE2-CG 4.18Å; Y636-R645 WeakPolarHBondContact CE2-O 3.29Å; M640-R645 HydrophobicContact CB-CG 3.84Å; T641-R645 WeakPolarHBondContact O-CG 3.4Å; T641-R645 PolarHBondContact O-N 3.33Å; D642-R645 PolarHBondContact O-N 3.3Å; D642-R645 IonicContact OD1-CZ 3.78Å; D642-R645 IonicContact OD1-NE 2.78Å; D642-R645 PolarHBondContact OD1-NE 2.82Å; D642-R645 IonicContact OD1-NH2 3.2Å; D642-R645 PolarHBondContact OD1-NH2 2.88Å; R645-V648 PolarHBondContact O-N 3.02Å; R645-Q649 WeakPolarHBondContact O-CB 3.47Å; R645-Q649 PolarHBondContact O-N 3.19Å
646	R	82.5	Confident	86	Confident	131 Å²	131	51.6 Å²	51.6	49%	0.494	28%	0.281	S	S	.	.	H	α-helix	trans	-57.6	-49.6	174.3	-74.4	-174.1	-69.4	-110.3	3.5	111.2	D642 V648 Q649 Q650	D642-R646 VanDerWaalsContact O-CB 3.32Å; D642-R646 WeakPolarHBondContact O-CB 3.42Å; D642-R646 VanDerWaalsContact O-CG 3.29Å; D642-R646 WeakPolarHBondContact O-CG 3.42Å; D642-R646 PolarHBondContact O-N 2.87Å; R646-V648 PolarHBondContact O-N 3.49Å; R646-Q649 PolarHBondContact O-N 3.42Å; R646-Q650 WeakPolarHBondContact O-CG 3.36Å; R646-Q650 PolarHBondContact O-N 3.31Å
647	N	88.1	Confident	85.4	Confident	112 Å²	112	57.6 Å²	57.6	60%	0.599	31%	0.307	S	S	*	.	H	α-helix	trans	-60.8	-43.2	-177.6	-69.8	-2.7	0	0	0	113	A643 Q644 Q650 A651	A643-N647 VanDerWaalsContact O-CB 3.3Å; A643-N647 WeakPolarHBondContact O-CB 3.35Å; A643-N647 PolarHBondContact O-N 3.31Å; A643-N647 PolarHBondContact O-ND2 3.19Å; A643-N647 PolarHBondContact O-OD1 3.03Å; Q644-N647 PolarHBondContact O-N 3.08Å; N647-Q650 PolarHBondContact O-N 2.94Å; N647-A651 WeakPolarHBondContact O-CB 3.42Å; N647-A651 PolarHBondContact O-N 3.18Å
648	V	89.6	Confident	85.2	Confident	22 Å²	22	57.1 Å²	57.1	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-66.9	-41.5	176.5	170.1	0	0	0	0	111.6	Y636 M640 Q644 R645 R646 Q650 A651 W652 V661	Y636-V648 HydrophobicContact CD2-CG1 4.32Å; M640-V648 HydrophobicContact CE-CG2 3.94Å; Q644-V648 PolarHBondContact O-N 3.2Å; R645-V648 PolarHBondContact O-N 3.02Å; R646-V648 PolarHBondContact O-N 3.49Å; V648-Q650 VanDerWaalsContact C-N 3.34Å; V648-Q650 PolarHBondContact O-N 3.38Å; V648-A651 PolarHBondContact O-N 3.3Å; V648-W652 WeakPolarHBondContact O-CB 3.5Å; V648-W652 PolarHBondContact O-N 3.19Å; V648-W652 VanDerWaalsContact O-N 3.07Å; V648-V661 HydrophobicContact CG1-CG2 4.16Å
649	Q	85.2	Confident	85.4	Confident	39 Å²	39	56.5 Å²	56.5	18%	0.182	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-42.2	176.7	-178.9	173.5	-14.5	0	0	111.6	Y636 R645 R646 W652 I653 I671	Y636-Q649 HydrophobicContact CE2-CB 4.35Å; R645-Q649 WeakPolarHBondContact O-CB 3.47Å; R645-Q649 PolarHBondContact O-N 3.19Å; R646-Q649 PolarHBondContact O-N 3.42Å; Q649-W652 PolarHBondContact O-N 2.91Å; Q649-I653 HydrophobicContact CG-CD1 3.79Å; Q649-I653 WeakPolarHBondContact O-CB 3.49Å; Q649-I653 VanDerWaalsContact O-CG1 3.27Å; Q649-I653 WeakPolarHBondContact O-CG1 3.15Å; Q649-I653 PolarHBondContact O-N 3.5Å; Q649-I671 HydrophobicContact CG-CD1 4.49Å
650	Q	82.7	Confident	85.7	Confident	45 Å²	45	54.6 Å²	54.6	21%	0.21	27%	0.272	C	S	.	.	H	α-helix	trans	-69.8	-45.1	177.9	-62.5	-50.5	-23.2	0	0	113.2	R646 N647 V648 W652 I653 Q654 S954	R646-Q650 WeakPolarHBondContact O-CG 3.36Å; R646-Q650 PolarHBondContact O-N 3.31Å; N647-Q650 PolarHBondContact O-N 2.94Å; V648-Q650 VanDerWaalsContact C-N 3.34Å; V648-Q650 PolarHBondContact O-N 3.38Å; Q650-W652 PolarHBondContact O-N 3Å; Q650-I653 PolarHBondContact O-N 3.11Å; Q650-Q654 WeakPolarHBondContact O-CB 3.26Å; Q650-Q654 WeakPolarHBondContact O-CG 3.32Å; Q650-Q654 PolarHBondContact O-N 3.24Å; Q650-S954 PolarHBondContact NE2-OG 3.36Å; Q650-S954 PolarHBondContact OE1-O 3.5Å; Q650-S954 PolarHBondContact OE1-OG 3.34Å
651	A	88.5	Confident	85.9	Confident	22 Å²	22	53.2 Å²	53.2	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-52.1	-41.7	173.6	0	0	0	0	0	111.7	N647 V648 E655 D656 C658	N647-A651 WeakPolarHBondContact O-CB 3.42Å; N647-A651 PolarHBondContact O-N 3.18Å; V648-A651 PolarHBondContact O-N 3.3Å; A651-E655 CarbonylContact O-C 3.56Å; A651-E655 VanDerWaalsContact O-CA 3.27Å; A651-E655 WeakPolarHBondContact O-CA 3.39Å; A651-E655 PolarHBondContact O-N 2.77Å; A651-D656 WeakPolarHBondContact CA-O 3.4Å; A651-D656 WeakPolarHBondContact CB-O 2.94Å; A651-D656 PolarHBondContact O-N 3.23Å; A651-C658 HydrophobicContact CB-CB 3.85Å
652	W	89.4	Confident	86.3	Confident	1 Å²	1	49.3 Å²	49.3	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-77.1	-36.2	179.9	-175.2	73.6	0	0	0	114.7	G609 I610 V648 Q649 Q650 C658 K659 V661 F667 I671 K673 V676	G609-W652 PolarHBondContact O-NE1 3.38Å; I610-W652 HydrophobicContact CD1-CH2 3.94Å; I610-W652 HydrophobicContact CD1-CZ2 4.19Å; I610-W652 HydrophobicContact CG1-CH2 3.93Å; I610-W652 HydrophobicContact CG1-CZ2 3.64Å; V648-W652 WeakPolarHBondContact O-CB 3.5Å; V648-W652 PolarHBondContact O-N 3.19Å; V648-W652 VanDerWaalsContact O-N 3.07Å; Q649-W652 PolarHBondContact O-N 2.91Å; Q650-W652 PolarHBondContact O-N 3Å; W652-C658 HydrophobicContact CB-CB 4.37Å; W652-K659 PolarHBondContact NE1-O 3.37Å; W652-V661 HydrophobicContact CB-CG2 3.79Å; W652-V661 HydrophobicContact CD2-CG2 4Å; W652-V661 HydrophobicContact CG-CG2 3.52Å; W652-F667 HydrophobicContact CD2-CZ 4.17Å; W652-F667 HydrophobicContact CE3-CE1 4.46Å; W652-F667 AromaticContact CE3-CZ 3.8Å; W652-F667 HydrophobicContact CE3-CZ 3.8Å; W652-F667 HydrophobicContact CH2-CE1 4.29Å; W652-F667 HydrophobicContact CH2-CZ 4.41Å; W652-F667 HydrophobicContact CZ3-CE1 4.24Å; W652-F667 AromaticContact CZ3-CZ 3.94Å; W652-F667 HydrophobicContact CZ3-CZ 3.94Å; W652-I671 HydrophobicContact CH2-CG2 4.35Å; W652-I671 HydrophobicContact CZ3-CG2 3.75Å; W652-K673 HydrophobicContact CD2-CD 4.09Å; W652-K673 HydrophobicContact CE3-CB 4.48Å; W652-K673 HydrophobicContact CE3-CD 3.87Å; W652-K673 HydrophobicContact CH2-CB 3.93Å; W652-K673 HydrophobicContact CH2-CD 3.84Å; W652-K673 HydrophobicContact CH2-CG 4.38Å; W652-K673 HydrophobicContact CZ2-CD 4.03Å; W652-K673 HydrophobicContact CZ3-CB 3.68Å; W652-K673 HydrophobicContact CZ3-CD 3.73Å; W652-K673 HydrophobicContact CZ3-CG 4.31Å; W652-V676 HydrophobicContact CH2-CG2 3.53Å; W652-V676 HydrophobicContact CZ2-CG2 3.78Å
653	I	83.5	Confident	86.9	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.036	22%	0.222	C	C	.	.	H	α-helix	trans	-67.1	-45.4	175.4	-73.1	169.8	0	0	0	110.7	Q649 Q650 E655 N955	Q649-I653 HydrophobicContact CG-CD1 3.79Å; Q649-I653 WeakPolarHBondContact O-CB 3.49Å; Q649-I653 VanDerWaalsContact O-CG1 3.27Å; Q649-I653 WeakPolarHBondContact O-CG1 3.15Å; Q649-I653 PolarHBondContact O-N 3.5Å; Q650-I653 PolarHBondContact O-N 3.11Å; I653-E655 VanDerWaalsContact C-N 3.29Å; I653-E655 PolarHBondContact O-N 3.14Å; I653-N955 HydrophobicContact CD1-CB 4.47Å; I653-N955 HydrophobicContact CG2-CB 4.09Å; I653-N955 WeakPolarHBondContact CG2-OD1 3.41Å
654	Q	79.7	Confident	87.3	Confident	58 Å²	58	44.4 Å²	44.4	27%	0.271	21%	0.209	S	C	.	.	H	α-helix	trans	-78.3	-15.6	-179.6	-61.4	-178.8	-4.1	0	0	112.8	Q650 D656 K945 S954	Q650-Q654 WeakPolarHBondContact O-CB 3.26Å; Q650-Q654 WeakPolarHBondContact O-CG 3.32Å; Q650-Q654 PolarHBondContact O-N 3.24Å; Q654-D656 PolarHBondContact O-N 3.15Å; Q654-K945 WeakPolarHBondContact O-CE 3.26Å; Q654-K945 PolarHBondContact O-NZ 3.48Å; Q654-S954 PolarHBondContact NE2-O 2.93Å
655	E	79.4	Confident	87.1	Confident	42 Å²	42	44.1 Å²	44.1	20%	0.196	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	18.2	-171.4	-44.1	-152.4	154.1	0	0	115	S608 A651 I653 K657 C658 K659 K673	S608-E655 WeakPolarHBondContact CB-OE1 3.16Å; S608-E655 PolarHBondContact OG-OE1 3.45Å; A651-E655 CarbonylContact O-C 3.56Å; A651-E655 VanDerWaalsContact O-CA 3.27Å; A651-E655 WeakPolarHBondContact O-CA 3.39Å; A651-E655 PolarHBondContact O-N 2.77Å; I653-E655 VanDerWaalsContact C-N 3.29Å; I653-E655 PolarHBondContact O-N 3.14Å; E655-K657 PolarHBondContact O-N 3.34Å; E655-C658 WeakPolarHBondContact CA-O 3.43Å; E655-K659 HydrophobicContact CB-CG 4.42Å; E655-K659 IonicContact OE2-NZ 2.73Å; E655-K659 PolarHBondContact OE2-NZ 3.4Å; E655-K673 VanDerWaalsContact OE1-CE 3.29Å; E655-K673 WeakPolarHBondContact OE1-CE 3.31Å; E655-K673 IonicContact OE1-NZ 2.82Å; E655-K673 PolarHBondContact OE1-NZ 3.44Å
656	D	73.4	Confident	86.6	Confident	75 Å²	75	42.7 Å²	42.7	40%	0.401	21%	0.213	S	C	.	.	S	Bend	trans	-77.7	114.2	171.7	179.3	41.6	0	0	0	109.8	A651 Q654 C658	A651-D656 WeakPolarHBondContact CA-O 3.4Å; A651-D656 WeakPolarHBondContact CB-O 2.94Å; A651-D656 PolarHBondContact O-N 3.23Å; Q654-D656 PolarHBondContact O-N 3.15Å; D656-C658 PolarHBondContact O-N 3.07Å
657	K	80.7	Confident	86.3	Confident	145 Å²	145	36.5 Å²	36.5	63%	0.63	19%	0.19	S	C	*	.	S	Bend	trans	61.4	-11.7	178	-57.2	158.2	-170.8	72.5	0	116.1	Q632 E655	Q632-K657 WeakPolarHBondContact CB-O 3.22Å; E655-K657 PolarHBondContact O-N 3.34Å
658	C	88.7	Confident	84.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.007	16%	0.162	C	C	.	.			trans	-132.2	130.9	179	-168.4	0	0	0	0	111.8	A651 W652 E655 D656	A651-C658 HydrophobicContact CB-CB 3.85Å; W652-C658 HydrophobicContact CB-CB 4.37Å; E655-C658 WeakPolarHBondContact CA-O 3.43Å; D656-C658 PolarHBondContact O-N 3.07Å
659	K	92.1	Very high	83.6	Confident	40 Å²	40	32.9 Å²	32.9	17%	0.174	17%	0.169	C	C	.	.	S	Bend	trans	-127.7	-15.4	172.8	-73.3	175.9	172.8	-85.8	0	112.8	K606 S608 G609 Q632 W652 E655	K606-K659 WeakPolarHBondContact O-CD 3.43Å; K606-K659 WeakPolarHBondContact O-CE 3.44Å; K606-K659 PolarHBondContact O-NZ 3.43Å; S608-K659 CarbonylContact C-O 3.55Å; S608-K659 WeakPolarHBondContact CA-O 3.5Å; S608-K659 WeakPolarHBondContact CB-O 3.35Å; G609-K659 PolarHBondContact N-O 2.95Å; Q632-K659 HydrophobicContact CB-CB 4.41Å; Q632-K659 PolarHBondContact O-N 3.27Å; W652-K659 PolarHBondContact NE1-O 3.37Å; E655-K659 HydrophobicContact CB-CG 4.42Å; E655-K659 IonicContact OE2-NZ 2.73Å; E655-K659 PolarHBondContact OE2-NZ 3.4Å
660	I	95.3	Very high	82.4	Confident	5 Å²	5	31.9 Å²	31.9	3%	0.026	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.8	-177.4	-45	170.7	0	0	0	108.9	I600 G609 V611 L626 L631 Q632 A633 S634 F678	I600-I660 HydrophobicContact CD1-CD1 4.19Å; I600-I660 HydrophobicContact CG2-CD1 3.93Å; G609-I660 WeakPolarHBondContact O-CA 3.47Å; V611-I660 HydrophobicContact CG2-CG2 3.87Å; L626-I660 HydrophobicContact CD1-CG2 4.29Å; L631-I660 HydrophobicContact CB-CD1 3.84Å; L631-I660 HydrophobicContact CD1-CD1 4.34Å; Q632-I660 PolarHBondContact O-N 3.18Å; A633-I660 CarbonylContact C-O 3.59Å; A633-I660 VanDerWaalsContact CA-O 3.24Å; A633-I660 WeakPolarHBondContact CA-O 3.31Å; A633-I660 HydrophobicContact CB-CB 4.11Å; S634-I660 PolarHBondContact N-O 2.96Å; I660-F678 HydrophobicContact CG1-CZ 4.19Å; I660-F678 HydrophobicContact CG2-CE2 4.42Å; I660-F678 HydrophobicContact CG2-CZ 4.46Å
661	V	94.8	Very high	81.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125	170.6	177.9	0	0	0	0	110.3	G609 V611 S634 Y636 V648 W652 A663 F667	G609-V661 PolarHBondContact O-N 3.15Å; V611-V661 PolarHBondContact N-O 3.08Å; S634-V661 CarbonylContact O-C 3.13Å; S634-V661 WeakPolarHBondContact O-CA 3.34Å; Y636-V661 VanDerWaalsContact CB-CG1 3.45Å; Y636-V661 HydrophobicContact CG-CG1 4.44Å; V648-V661 HydrophobicContact CG1-CG2 4.16Å; W652-V661 HydrophobicContact CB-CG2 3.79Å; W652-V661 HydrophobicContact CD2-CG2 4Å; W652-V661 HydrophobicContact CG-CG2 3.52Å; V661-A663 HydrophobicContact CG1-CB 4.22Å; V661-F667 HydrophobicContact CB-CD1 4.4Å; V661-F667 HydrophobicContact CB-CE1 3.75Å; V661-F667 HydrophobicContact CB-CE2 4.29Å; V661-F667 HydrophobicContact CB-CZ 3.68Å; V661-F667 HydrophobicContact CG1-CD1 4.01Å; V661-F667 HydrophobicContact CG1-CD2 4.06Å; V661-F667 HydrophobicContact CG1-CE1 3.79Å; V661-F667 HydrophobicContact CG1-CE2 3.81Å; V661-F667 HydrophobicContact CG1-CG 4.14Å; V661-F667 HydrophobicContact CG1-CZ 3.67Å; V661-F667 HydrophobicContact CG2-CE1 4.26Å; V661-F667 HydrophobicContact CG2-CE2 4.21Å; V661-F667 HydrophobicContact CG2-CZ 3.69Å
662	C	96.7	Very high	81.1	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	104.8	173.1	-56	0	0	0	0	107.7	V611 C619 A623 L626 S634 A635 Y636	V611-C662 CarbonylContact O-C 3.52Å; V611-C662 WeakPolarHBondContact O-CA 3.45Å; C619-C662 HydrophobicContact CB-CB 4.42Å; C619-C662 WeakPolarHBondContact CB-O 3.41Å; C619-C662 WeakPolarHBondContact O-CB 3.16Å; A623-C662 HydrophobicContact CB-CB 4.08Å; L626-C662 VanDerWaalsContact CD1-SG 3.5Å; S634-C662 PolarHBondContact O-N 2.94Å; A635-C662 CarbonylContact C-O 3.58Å; A635-C662 WeakPolarHBondContact CA-O 3.25Å; Y636-C662 PolarHBondContact N-O 3.49Å
663	A	94.3	Very high	80.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.9	-158.7	0	0	0	0	0	112.7	I610 V611 Y612 C613 Y636 V661 F667	I610-A663 HydrophobicContact CG2-CB 4.06Å; V611-A663 PolarHBondContact O-N 3.43Å; Y612-A663 CarbonylContact C-O 3.06Å; Y612-A663 WeakPolarHBondContact CA-O 3.37Å; Y612-A663 HydrophobicContact CD1-CB 3.84Å; Y612-A663 HydrophobicContact CE1-CB 3.82Å; C613-A663 PolarHBondContact N-O 2.89Å; Y636-A663 WeakPolarHBondContact O-CA 3.22Å; V661-A663 HydrophobicContact CG1-CB 4.22Å; A663-F667 HydrophobicContact CB-CB 3.49Å; A663-F667 VanDerWaalsContact CB-CB 3.49Å; A663-F667 HydrophobicContact CB-CD1 3.76Å; A663-F667 HydrophobicContact CB-CG 3.87Å
664	T	92.1	Very high	80.6	Confident	18 Å²	18	32.5 Å²	32.5	11%	0.11	17%	0.171	C	C	.	.			trans	-85	170.8	150.8	52.9	0	0	0	0	109.6	C619 Y636 H637 A666 F667	C619-T664 PolarHBondContact SG-N 3.17Å; C619-T664 VanDerWaalsContact SG-N 3.45Å; Y636-T664 PolarHBondContact O-N 2.69Å; Y636-T664 VanDerWaalsContact O-N 3.14Å; H637-T664 HydrophobicContact CB-CG2 4.02Å; H637-T664 WeakPolarHBondContact CB-OG1 3.47Å; T664-A666 PolarHBondContact O-N 3.16Å; T664-F667 PolarHBondContact O-N 3.25Å
665	I	85.3	Confident	80.9	Confident	91 Å²	91	31 Å²	31	47%	0.467	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-48.6	-32.4	177.1	-50.8	-175.3	0	0	0	112	F667 G668 E694	I665-F667 PolarHBondContact O-N 2.8Å; I665-G668 PolarHBondContact O-N 3.23Å; I665-E694 WeakPolarHBondContact CG1-OE1 3.35Å
666	A	76.7	Confident	81.5	Confident	43 Å²	43	29.1 Å²	29.1	36%	0.355	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-55.6	-16.1	175.9	0	0	0	0	0	116	T664	T664-A666 PolarHBondContact O-N 3.16Å
667	F	77.1	Confident	82.5	Confident	1 Å²	1	26.9 Å²	26.9	0%	0.004	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-80.2	-26.8	171.6	-173.7	-121.7	0	0	0	113.1	I610 Y636 W652 V661 A663 T664 I665 M669 I671	I610-F667 HydrophobicContact CD1-CD1 4.32Å; I610-F667 HydrophobicContact CD1-CE1 3.98Å; I610-F667 HydrophobicContact CG1-CE1 4.13Å; I610-F667 HydrophobicContact CG2-CD1 4.08Å; I610-F667 HydrophobicContact CG2-CE1 4.25Å; Y636-F667 HydrophobicContact CD1-CB 3.62Å; Y636-F667 AromaticContact CD1-CD2 3.54Å; Y636-F667 HydrophobicContact CD1-CD2 3.54Å; Y636-F667 HydrophobicContact CD1-CG 4.01Å; Y636-F667 AromaticContact CD2-CD2 3.49Å; Y636-F667 HydrophobicContact CD2-CD2 3.49Å; Y636-F667 VanDerWaalsContact CD2-CD2 3.49Å; Y636-F667 AromaticContact CD2-CE2 3.79Å; Y636-F667 HydrophobicContact CD2-CE2 3.79Å; Y636-F667 HydrophobicContact CE1-CB 4.04Å; Y636-F667 AromaticContact CE1-CD2 3.83Å; Y636-F667 HydrophobicContact CE1-CD2 3.83Å; Y636-F667 HydrophobicContact CE1-CG 4.44Å; Y636-F667 AromaticContact CE2-CD2 3.74Å; Y636-F667 HydrophobicContact CE2-CD2 3.74Å; Y636-F667 HydrophobicContact CE2-CE2 4.09Å; Y636-F667 HydrophobicContact CG-CB 4.18Å; Y636-F667 AromaticContact CG-CD2 3.37Å; Y636-F667 HydrophobicContact CG-CD2 3.37Å; Y636-F667 HydrophobicContact CG-CE2 4.05Å; Y636-F667 HydrophobicContact CG-CG 4.1Å; Y636-F667 AromaticContact CZ-CD2 3.9Å; W652-F667 HydrophobicContact CD2-CZ 4.17Å; W652-F667 HydrophobicContact CE3-CE1 4.46Å; W652-F667 AromaticContact CE3-CZ 3.8Å; W652-F667 HydrophobicContact CE3-CZ 3.8Å; W652-F667 HydrophobicContact CH2-CE1 4.29Å; W652-F667 HydrophobicContact CH2-CZ 4.41Å; W652-F667 HydrophobicContact CZ3-CE1 4.24Å; W652-F667 AromaticContact CZ3-CZ 3.94Å; W652-F667 HydrophobicContact CZ3-CZ 3.94Å; V661-F667 HydrophobicContact CB-CD1 4.4Å; V661-F667 HydrophobicContact CB-CE1 3.75Å; V661-F667 HydrophobicContact CB-CE2 4.29Å; V661-F667 HydrophobicContact CB-CZ 3.68Å; V661-F667 HydrophobicContact CG1-CD1 4.01Å; V661-F667 HydrophobicContact CG1-CD2 4.06Å; V661-F667 HydrophobicContact CG1-CE1 3.79Å; V661-F667 HydrophobicContact CG1-CE2 3.81Å; V661-F667 HydrophobicContact CG1-CG 4.14Å; V661-F667 HydrophobicContact CG1-CZ 3.67Å; V661-F667 HydrophobicContact CG2-CE1 4.26Å; V661-F667 HydrophobicContact CG2-CE2 4.21Å; V661-F667 HydrophobicContact CG2-CZ 3.69Å; A663-F667 HydrophobicContact CB-CB 3.49Å; A663-F667 VanDerWaalsContact CB-CB 3.49Å; A663-F667 HydrophobicContact CB-CD1 3.76Å; A663-F667 HydrophobicContact CB-CG 3.87Å; T664-F667 PolarHBondContact O-N 3.25Å; I665-F667 PolarHBondContact O-N 2.8Å; F667-M669 PolarHBondContact O-N 2.91Å; F667-I671 HydrophobicContact CD1-CD1 4Å; F667-I671 HydrophobicContact CD2-CD1 3.45Å; F667-I671 VanDerWaalsContact CD2-CD1 3.45Å; F667-I671 HydrophobicContact CE1-CD1 3.73Å; F667-I671 HydrophobicContact CE2-CD1 3.17Å; F667-I671 HydrophobicContact CG-CD1 3.88Å; F667-I671 HydrophobicContact CZ-CD1 3.32Å; F667-I671 WeakPolarHBondContact O-CD1 3.41Å; F667-I671 WeakPolarHBondContact O-CG1 3.46Å
668	G	58.9	Low	83.2	Confident	2 Å²	2	20 Å²	20	2%	0.021	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-40.4	-171.7	0	0	0	0	0	113	Y612 I665 G670 I671 R697	Y612-G668 WeakPolarHBondContact OH-CA 3.23Å; I665-G668 PolarHBondContact O-N 3.23Å; G668-G670 PolarHBondContact O-N 2.82Å; G668-G670 VanDerWaalsContact O-N 3.15Å; G668-I671 PolarHBondContact O-N 3.48Å; G668-R697 VanDerWaalsContact C-CZ 3.46Å; G668-R697 PolarHBondContact O-NH1 3.2Å; G668-R697 PolarHBondContact O-NH2 2.85Å
669	M	60.9	Low	83.6	Confident	56 Å²	56	20 Å²	20	28%	0.276	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	111.2	-169.2	-73.9	-167.4	120.3	0	0	112.4	L434 D524 F667	L434-M669 HydrophobicContact CD1-CB 3.54Å; L434-M669 HydrophobicContact CD1-CE 4.01Å; L434-M669 HydrophobicContact CD1-CG 3.99Å; L434-M669 HydrophobicContact CD1-SD 4.27Å; L434-M669 HydrophobicContact CD2-CB 3.7Å; L434-M669 HydrophobicContact CD2-CE 4.16Å; L434-M669 HydrophobicContact CD2-CG 4.24Å; L434-M669 HydrophobicContact CD2-SD 3.76Å; L434-M669 HydrophobicContact CG-CB 4.25Å; L434-M669 HydrophobicContact CG-CE 4.35Å; L434-M669 HydrophobicContact CG-SD 4.49Å; D524-M669 WeakPolarHBondContact OD2-CE 3.32Å; F667-M669 PolarHBondContact O-N 2.91Å
670	G	60	Low	83.8	Confident	17 Å²	17	18 Å²	18	18%	0.175	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.8	0.1	178.8	0	0	0	0	0	116.8	G668	G668-G670 PolarHBondContact O-N 2.82Å; G668-G670 VanDerWaalsContact O-N 3.15Å
671	I	71.6	Confident	83.9	Confident	11 Å²	11	17.9 Å²	17.9	6%	0.056	10%	0.103	C	C	.	.			trans	-90.1	132.4	-177.2	-66.7	-168.4	0	0	0	113.4	Q649 W652 F667 G668 R700	Q649-I671 HydrophobicContact CG-CD1 4.49Å; W652-I671 HydrophobicContact CH2-CG2 4.35Å; W652-I671 HydrophobicContact CZ3-CG2 3.75Å; F667-I671 HydrophobicContact CD1-CD1 4Å; F667-I671 HydrophobicContact CD2-CD1 3.45Å; F667-I671 VanDerWaalsContact CD2-CD1 3.45Å; F667-I671 HydrophobicContact CE1-CD1 3.73Å; F667-I671 HydrophobicContact CE2-CD1 3.17Å; F667-I671 HydrophobicContact CG-CD1 3.88Å; F667-I671 HydrophobicContact CZ-CD1 3.32Å; F667-I671 WeakPolarHBondContact O-CD1 3.41Å; F667-I671 WeakPolarHBondContact O-CG1 3.46Å; G668-I671 PolarHBondContact O-N 3.48Å; I671-R700 VanDerWaalsContact O-CZ 3.29Å; I671-R700 PolarHBondContact O-NH1 3.31Å; I671-R700 PolarHBondContact O-NH2 2.89Å
672	D	72.2	Confident	84	Confident	57 Å²	57	18.7 Å²	18.7	31%	0.305	11%	0.107	S	C	.	.			trans	-135.2	74.4	172.2	-161.6	18.5	0	0	0	112.4	R700 N955	D672-R700 VanDerWaalsContact CA-NH1 3.33Å; D672-R700 VanDerWaalsContact CB-NH1 3.33Å; D672-R700 WeakPolarHBondContact OD1-CD 3.44Å; D672-R700 IonicContact OD1-CZ 2.76Å; D672-R700 IonicContact OD1-NE 2.77Å; D672-R700 IonicContact OD1-NH1 2.68Å; D672-R700 PolarHBondContact OD1-NH1 2.93Å; D672-R700 IonicContact OD2-NH1 2.74Å; D672-N955 PolarHBondContact O-ND2 3.14Å
673	K	81.8	Confident	83.9	Confident	5 Å²	5	18.9 Å²	18.9	2%	0.022	11%	0.108	C	C	.	.			trans	-96	119.5	164.2	178.6	169.8	168.5	56.7	0	108	W652 E655 D675 V676	W652-K673 HydrophobicContact CD2-CD 4.09Å; W652-K673 HydrophobicContact CE3-CB 4.48Å; W652-K673 HydrophobicContact CE3-CD 3.87Å; W652-K673 HydrophobicContact CH2-CB 3.93Å; W652-K673 HydrophobicContact CH2-CD 3.84Å; W652-K673 HydrophobicContact CH2-CG 4.38Å; W652-K673 HydrophobicContact CZ2-CD 4.03Å; W652-K673 HydrophobicContact CZ3-CB 3.68Å; W652-K673 HydrophobicContact CZ3-CD 3.73Å; W652-K673 HydrophobicContact CZ3-CG 4.31Å; E655-K673 VanDerWaalsContact OE1-CE 3.29Å; E655-K673 WeakPolarHBondContact OE1-CE 3.31Å; E655-K673 IonicContact OE1-NZ 2.82Å; E655-K673 PolarHBondContact OE1-NZ 3.44Å; K673-D675 WeakPolarHBondContact CE-OD1 3.07Å; K673-D675 WeakPolarHBondContact CG-OD1 3.49Å; K673-D675 IonicContact NZ-OD1 2.69Å; K673-D675 PolarHBondContact NZ-OD1 3.03Å; K673-D675 IonicContact NZ-OD2 2.73Å; K673-D675 PolarHBondContact NZ-OD2 3.42Å; K673-V676 HydrophobicContact CB-CG2 3.96Å; K673-V676 HydrophobicContact CD-CG2 4.24Å; K673-V676 HydrophobicContact CG-CG2 3.96Å; K673-V676 WeakPolarHBondContact O-CG2 3.48Å
674	P	80.2	Confident	83.9	Confident	16 Å²	16	19 Å²	19	10%	0.104	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-33	-169.1	24.7	-32.5	0	0	0	114.2	V676 R700 D701 A957 N962	P674-V676 PolarHBondContact O-N 3.21Å; P674-R700 PolarHBondContact O-N 2.78Å; P674-R700 VanDerWaalsContact O-N 3.13Å; P674-D701 HydrophobicContact CB-CB 4.32Å; P674-D701 PolarHBondContact O-N 3.02Å; P674-D701 VanDerWaalsContact O-N 3.14Å; P674-A957 HydrophobicContact CG-CB 4.23Å; P674-N962 HydrophobicContact CG-CB 4.11Å; P674-N962 VanDerWaalsContact CG-CG 3.42Å; P674-N962 VanDerWaalsContact CG-OD1 3.28Å; P674-N962 WeakPolarHBondContact CG-OD1 3.47Å
675	D	86.3	Confident	84	Confident	27 Å²	27	18.6 Å²	18.6	14%	0.144	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	22.3	-164.1	60.5	-47	0	0	0	114.6	K673 R677	K673-D675 WeakPolarHBondContact CE-OD1 3.07Å; K673-D675 WeakPolarHBondContact CG-OD1 3.49Å; K673-D675 IonicContact NZ-OD1 2.69Å; K673-D675 PolarHBondContact NZ-OD1 3.03Å; K673-D675 IonicContact NZ-OD2 2.73Å; K673-D675 PolarHBondContact NZ-OD2 3.42Å; D675-R677 PolarHBondContact O-N 3.4Å; D675-R677 VanDerWaalsContact O-N 3.16Å; D675-R677 PolarHBondContact O-NH1 3.16Å
676	V	91.7	Very high	84.2	Confident	2 Å²	2	18.2 Å²	18.2	1%	0.012	10%	0.101	C	C	.	.			trans	-68	107.5	176.6	175.5	0	0	0	0	109.9	I610 W652 K673 P674 V679 S698 G699 S705	I610-V676 HydrophobicContact CD1-CG1 4.46Å; I610-V676 HydrophobicContact CG1-CG1 4.28Å; W652-V676 HydrophobicContact CH2-CG2 3.53Å; W652-V676 HydrophobicContact CZ2-CG2 3.78Å; K673-V676 HydrophobicContact CB-CG2 3.96Å; K673-V676 HydrophobicContact CD-CG2 4.24Å; K673-V676 HydrophobicContact CG-CG2 3.96Å; K673-V676 WeakPolarHBondContact O-CG2 3.48Å; P674-V676 PolarHBondContact O-N 3.21Å; V676-V679 HydrophobicContact CG1-CG2 4.15Å; V676-S698 CarbonylContact O-C 3.6Å; V676-S698 VanDerWaalsContact O-CA 3.24Å; V676-S698 WeakPolarHBondContact O-CA 3.5Å; V676-S698 WeakPolarHBondContact O-CB 3.32Å; V676-G699 PolarHBondContact O-N 3.22Å; V676-S705 PolarHBondContact O-OG 3.23Å
677	R	94.2	Very high	85	Confident	28 Å²	28	16.5 Å²	16.5	11%	0.106	9%	0.087	C	C	.	.			trans	-85.4	-24.8	-174.3	-68.4	-73.2	74	84.7	0.2	114.5	F604 R607 S608 D675 D701 P704 S705 T706	F604-R677 HydrophobicContact CD1-CB 4.47Å; R607-R677 HydrophobicContact CB-CB 4Å; R607-R677 HydrophobicContact CB-CG 3.91Å; R607-R677 HydrophobicContact CG-CB 4.46Å; R607-R677 HydrophobicContact CG-CG 4.02Å; S608-R677 PolarHBondContact O-N 3.17Å; D675-R677 PolarHBondContact O-N 3.4Å; D675-R677 VanDerWaalsContact O-N 3.16Å; D675-R677 PolarHBondContact O-NH1 3.16Å; R677-D701 IonicContact CZ-OD1 3.7Å; R677-D701 IonicContact CZ-OD2 3.04Å; R677-D701 VanDerWaalsContact CZ-OD2 3.29Å; R677-D701 IonicContact NH1-OD1 2.88Å; R677-D701 IonicContact NH1-OD2 3.97Å; R677-D701 PolarHBondContact NH1-OD2 3.34Å; R677-D701 VanDerWaalsContact NH2-CG 3.28Å; R677-D701 IonicContact NH2-OD1 2.61Å; R677-D701 PolarHBondContact NH2-OD1 3.16Å; R677-D701 IonicContact NH2-OD2 3.89Å; R677-D701 PolarHBondContact NH2-OD2 3.48Å; R677-P704 PolarHBondContact NE-O 3.48Å; R677-S705 PolarHBondContact NE-OG 2.86Å; R677-S705 PolarHBondContact NH2-OG 2.88Å; R677-S705 CarbonylContact O-C 3.59Å; R677-S705 VanDerWaalsContact O-CA 3.28Å; R677-S705 WeakPolarHBondContact O-CA 3.47Å; R677-S705 WeakPolarHBondContact O-CB 3.5Å; R677-T706 PolarHBondContact O-N 3.07Å
678	F	96.5	Very high	85.7	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	144.1	176.2	64	-91.1	0	0	0	112.9	I600 F604 G609 I610 I660 I680 T706	I600-F678 HydrophobicContact CB-CZ 4.49Å; I600-F678 HydrophobicContact CD1-CE2 3.64Å; I600-F678 HydrophobicContact CD1-CZ 3.78Å; I600-F678 HydrophobicContact CG1-CD2 4.45Å; I600-F678 HydrophobicContact CG1-CE1 4.38Å; I600-F678 HydrophobicContact CG1-CE2 3.78Å; I600-F678 HydrophobicContact CG1-CZ 3.73Å; I600-F678 HydrophobicContact CG2-CE1 4.34Å; I600-F678 HydrophobicContact CG2-CZ 4Å; F604-F678 HydrophobicContact CB-CD1 3.53Å; F604-F678 HydrophobicContact CB-CE1 3.69Å; F604-F678 HydrophobicContact CD1-CB 4.31Å; F604-F678 HydrophobicContact CD1-CD1 4.06Å; F604-F678 HydrophobicContact CD2-CB 3.97Å; F604-F678 AromaticContact CD2-CD1 3.76Å; F604-F678 HydrophobicContact CD2-CD1 3.76Å; F604-F678 HydrophobicContact CD2-CE1 4.43Å; F604-F678 AromaticContact CD2-CG 3.95Å; F604-F678 HydrophobicContact CD2-CG 3.95Å; F604-F678 HydrophobicContact CE1-CB 4.29Å; F604-F678 HydrophobicContact CE2-CB 3.95Å; F604-F678 HydrophobicContact CE2-CG 4.39Å; F604-F678 HydrophobicContact CG-CB 4.18Å; F604-F678 AromaticContact CG-CD1 3.48Å; F604-F678 HydrophobicContact CG-CD1 3.48Å; F604-F678 VanDerWaalsContact CG-CD1 3.48Å; F604-F678 HydrophobicContact CG-CE1 4.14Å; F604-F678 HydrophobicContact CG-CG 4.09Å; F604-F678 HydrophobicContact CZ-CB 4.13Å; G609-F678 CarbonylContact C-O 3.57Å; G609-F678 WeakPolarHBondContact CA-O 3.49Å; I610-F678 PolarHBondContact N-O 3.43Å; I660-F678 HydrophobicContact CG1-CZ 4.19Å; I660-F678 HydrophobicContact CG2-CE2 4.42Å; I660-F678 HydrophobicContact CG2-CZ 4.46Å; F678-I680 HydrophobicContact CD2-CD1 3.72Å; F678-I680 HydrophobicContact CD2-CG1 3.93Å; F678-I680 HydrophobicContact CE2-CD1 4.08Å; F678-T706 VanDerWaalsContact CA-O 3.29Å; F678-T706 WeakPolarHBondContact CA-O 3.16Å
679	V	96.6	Very high	87.2	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.9	163.9	171	0	0	0	0	107.1	I610 Y612 V676 T706 C707 I708	I610-V679 HydrophobicContact CB-CG2 4.35Å; I610-V679 HydrophobicContact CD1-CG2 4.5Å; I610-V679 WeakPolarHBondContact O-CA 3.45Å; Y612-V679 HydrophobicContact CD2-CG1 3.82Å; Y612-V679 HydrophobicContact CE2-CG1 4.02Å; V676-V679 HydrophobicContact CG1-CG2 4.15Å; V679-T706 PolarHBondContact N-O 3.31Å; V679-C707 WeakPolarHBondContact O-CA 3.39Å; V679-I708 PolarHBondContact O-N 2.97Å
680	I	97.6	Very high	88.5	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	115.5	-179	-64.2	170.9	0	0	0	108.7	I596 V599 I600 I610 V611 Y612 F678 H682 I708 Y710	I596-I680 HydrophobicContact CD1-CG2 3.99Å; I596-I680 HydrophobicContact CG1-CG2 4.04Å; I596-I680 HydrophobicContact CG2-CD1 4.1Å; V599-I680 HydrophobicContact CG1-CD1 4.47Å; I600-I680 HydrophobicContact CD1-CD1 4.12Å; I600-I680 HydrophobicContact CG1-CD1 4Å; I610-I680 PolarHBondContact O-N 2.96Å; V611-I680 CarbonylContact C-O 3.59Å; V611-I680 VanDerWaalsContact CA-O 3.24Å; V611-I680 WeakPolarHBondContact CA-O 3.11Å; V611-I680 HydrophobicContact CG1-CG2 4.48Å; V611-I680 HydrophobicContact CG2-CB 4.41Å; Y612-I680 PolarHBondContact N-O 2.94Å; F678-I680 HydrophobicContact CD2-CD1 3.72Å; F678-I680 HydrophobicContact CD2-CG1 3.93Å; F678-I680 HydrophobicContact CE2-CD1 4.08Å; I680-H682 PolarHBondContact O-N 3.44Å; I680-I708 CarbonylContact C-O 3.16Å; I680-I708 WeakPolarHBondContact CA-O 3.35Å; I680-I708 HydrophobicContact CG1-CB 4.29Å; I680-I708 HydrophobicContact CG1-CD1 4.46Å; I680-Y710 HydrophobicContact CG2-CD2 3.84Å; I680-Y710 HydrophobicContact CG2-CE2 3.81Å
681	H	97.5	Very high	90.1	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.009	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	103.1	170.3	-70.1	88.8	0	0	0	108.8	Y612 S683 Y691 E694 I708 L709 Y710	Y612-H681 AromaticContact CD2-NE2 3.73Å; H681-S683 PolarHBondContact O-N 2.66Å; H681-Y691 AromaticContact CE1-CD2 3.48Å; H681-Y691 VanDerWaalsContact CE1-CD2 3.48Å; H681-Y691 WeakPolarHBondContact CE1-CD2 3.5Å; H681-Y691 AromaticContact CE1-CE2 3.7Å; H681-Y691 AromaticContact ND1-CD2 3.69Å; H681-Y691 AromaticContact ND1-CE2 3.52Å; H681-Y691 AromaticContact NE2-CD2 3.96Å; H681-E694 IonicContact CD2-OE2 2.69Å; H681-E694 PolarHBondContact CD2-OE2 2.69Å; H681-E694 IonicContact CE1-OE2 3.18Å; H681-E694 WeakPolarHBondContact NE2-CB 3.3Å; H681-E694 IonicContact NE2-OE2 3.65Å; H681-E694 PolarHBondContact NE2-OE2 3.25Å; H681-I708 PolarHBondContact N-O 3.3Å; H681-L709 HydrophobicContact CB-CB 4.29Å; H681-L709 HydrophobicContact CB-CG 4.04Å; H681-Y710 WeakPolarHBondContact O-CB 3.32Å; H681-Y710 PolarHBondContact O-N 3.29Å
682	H	96	Very high	91.1	Very high	16 Å²	16	14 Å²	14	7%	0.074	7%	0.072	C	C	.	.	S	Bend	trans	-66.7	-27.3	174.5	167.2	-114.9	0	0	0	111.6	K587 I596 V611 Y612 E618 I680	K587-H682 VanDerWaalsContact CD-O 3.28Å; K587-H682 WeakPolarHBondContact CD-O 3.42Å; K587-H682 WeakPolarHBondContact CE-O 3.11Å; K587-H682 PolarHBondContact NZ-O 2.96Å; I596-H682 HydrophobicContact CD1-CB 4.26Å; V611-H682 HydrophobicContact CG1-CB 4.09Å; Y612-H682 WeakPolarHBondContact O-CB 3.42Å; Y612-H682 PolarHBondContact O-N 3.34Å; E618-H682 IonicContact OE1-CE1 2.79Å; I680-H682 PolarHBondContact O-N 3.44Å
683	S	93.9	Very high	91.8	Very high	5 Å²	5	12.3 Å²	12.3	4%	0.035	6%	0.063	C	C	.	.	S	Bend	trans	-132.3	158.1	175.7	-58.6	0	0	0	0	110.6	K587 H681	K587-S683 PolarHBondContact NZ-OG 3.39Å; H681-S683 PolarHBondContact O-N 2.66Å
684	L	95	Very high	92.2	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.016	6%	0.064	C	C	.	.			trans	-58.4	132.6	177.9	-172.7	65.8	0	0	0	112	L709 Y711 D715 V716 L719 L743 M746 V747 C750	L684-L709 HydrophobicContact CD1-CD1 4.45Å; L684-L709 HydrophobicContact CD1-CD2 4.23Å; L684-Y711 HydrophobicContact CD1-CD2 4.16Å; L684-Y711 HydrophobicContact CD2-CD2 4.42Å; L684-Y711 HydrophobicContact CD2-CE2 4.46Å; L684-D715 HydrophobicContact CB-CB 4.1Å; L684-V716 HydrophobicContact CD2-CG2 3.64Å; L684-L719 HydrophobicContact CB-CD1 3.97Å; L684-L719 HydrophobicContact CD2-CD1 4.12Å; L684-L719 HydrophobicContact CG-CD1 4.14Å; L684-L719 WeakPolarHBondContact O-CD1 3.41Å; L684-L743 HydrophobicContact CD2-CD1 3.92Å; L684-M746 HydrophobicContact CD1-CE 4.43Å; L684-M746 HydrophobicContact CD1-CG 3.86Å; L684-M746 HydrophobicContact CG-CG 4.43Å; L684-V747 HydrophobicContact CD2-CG2 3.93Å; L684-C750 WeakPolarHBondContact CD1-SG 3.33Å
685	P	93.9	Very high	92.8	Very high	8 Å²	8	11.9 Å²	11.9	5%	0.052	6%	0.059	C	C	.	.			trans	-68.6	159.7	170.1	-25.1	37.6	0	0	0	113.6	S687 Y691 L709 M746	P685-S687 VanDerWaalsContact C-N 3.27Å; P685-S687 PolarHBondContact O-N 3.37Å; P685-Y691 HydrophobicContact CG-CD2 3.95Å; P685-Y691 HydrophobicContact CG-CG 4.35Å; P685-L709 HydrophobicContact CG-CD1 4.22Å; P685-M746 HydrophobicContact CG-CE 4.27Å
686	K	90.6	Very high	92.9	Very high	83 Å²	83	10.7 Å²	10.7	36%	0.361	5%	0.053	S	C	.	.	S	Bend	trans	-61.3	-31.6	175.5	-79.1	-171.6	172.6	-166.3	0	113.2	L719 L743	K686-L719 HydrophobicContact CG-CD2 3.84Å; K686-L743 WeakPolarHBondContact O-CA 3.11Å; K686-L743 PolarHBondContact O-N 3.09Å
687	S	91.8	Very high	92.6	Very high	7 Å²	7	11.9 Å²	11.9	5%	0.049	6%	0.058	C	C	.	.			trans	-160.6	171.7	-177.5	86.7	0	0	0	0	113.4	P685 E689 G690 Y691	P685-S687 VanDerWaalsContact C-N 3.27Å; P685-S687 PolarHBondContact O-N 3.37Å; S687-E689 WeakPolarHBondContact CB-OE2 3.19Å; S687-E689 PolarHBondContact OG-N 3.5Å; S687-E689 PolarHBondContact OG-OE2 3.42Å; S687-G690 PolarHBondContact OG-N 3.05Å; S687-Y691 WeakPolarHBondContact O-CB 3.45Å; S687-Y691 PolarHBondContact O-N 3.18Å
688	I	92.4	Very high	92.5	Very high	10 Å²	10	10.6 Å²	10.6	5%	0.051	5%	0.053	C	C	.	.	H	α-helix	trans	-67.7	-39.3	175.9	-63.5	172.7	0	0	0	110.9	G690 Y691 Y692 R745 M746 H764	I688-G690 PolarHBondContact O-N 2.79Å; I688-Y691 PolarHBondContact O-N 3.24Å; I688-Y692 WeakPolarHBondContact O-CB 3.28Å; I688-Y692 PolarHBondContact O-N 3.49Å; I688-R745 HydrophobicContact CD1-CB 4.17Å; I688-M746 HydrophobicContact CB-SD 4.25Å; I688-M746 HydrophobicContact CG1-CB 4.3Å; I688-M746 HydrophobicContact CG1-SD 3.58Å; I688-M746 VanDerWaalsContact CG1-SD 3.58Å; I688-H764 HydrophobicContact CD1-CB 4.45Å; I688-H764 HydrophobicContact CG2-CB 4.44Å
689	E	89.6	Confident	92	Very high	9 Å²	9	10.6 Å²	10.6	4%	0.042	5%	0.053	C	C	.	.	H	α-helix	trans	-54.3	-51.7	175.6	-57.4	75.4	-180	0	0	110.6	H523 T552 S687 Y692 Q693 R745 H764	H523-E689 HydrophobicContact CB-CB 3.87Å; H523-E689 HydrophobicContact CB-CG 4.46Å; T552-E689 HydrophobicContact CG2-CG 4.45Å; S687-E689 WeakPolarHBondContact CB-OE2 3.19Å; S687-E689 PolarHBondContact OG-N 3.5Å; S687-E689 PolarHBondContact OG-OE2 3.42Å; E689-Y692 PolarHBondContact O-N 2.78Å; E689-Q693 PolarHBondContact O-N 2.98Å; E689-R745 IonicContact OE1-CZ 3.62Å; E689-R745 IonicContact OE1-NH1 3.22Å; E689-R745 PolarHBondContact OE1-NH1 2.74Å; E689-R745 IonicContact OE1-NH2 3.07Å; E689-H764 VanDerWaalsContact CD-NE2 3.26Å; E689-H764 IonicContact OE1-CE1 2.93Å; E689-H764 PolarHBondContact OE1-CE1 2.74Å; E689-H764 VanDerWaalsContact OE1-CE1 3.23Å; E689-H764 IonicContact OE1-NE2 2.69Å; E689-H764 PolarHBondContact OE1-NE2 3.11Å; E689-H764 IonicContact OE2-CE1 3.77Å; E689-H764 IonicContact OE2-NE2 3.16Å
690	G	89.2	Confident	91.4	Very high	11 Å²	11	13.3 Å²	13.3	11%	0.113	6%	0.063	C	C	.	.	H	α-helix	trans	-65.7	-46.2	177.4	0	0	0	0	0	113	S687 I688 Y692 Q693 E694	S687-G690 PolarHBondContact OG-N 3.05Å; I688-G690 PolarHBondContact O-N 2.79Å; G690-Y692 VanDerWaalsContact C-N 3.29Å; G690-Y692 PolarHBondContact O-N 3.25Å; G690-Q693 PolarHBondContact O-N 3.46Å; G690-Q693 VanDerWaalsContact O-N 3.16Å; G690-E694 WeakPolarHBondContact O-CB 3.41Å; G690-E694 VanDerWaalsContact O-CG 3.29Å; G690-E694 WeakPolarHBondContact O-CG 3.39Å; G690-E694 PolarHBondContact O-N 2.93Å
691	Y	93.8	Very high	90.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-55.1	-43.6	176.2	173.9	-117.2	0	0	0	112.2	F582 H681 P685 S687 I688 E694 A695 L709 M746 Y749 I761	F582-Y691 HydrophobicContact CD1-CE1 4.18Å; F582-Y691 HydrophobicContact CE1-CE1 4.43Å; H681-Y691 AromaticContact CE1-CD2 3.48Å; H681-Y691 VanDerWaalsContact CE1-CD2 3.48Å; H681-Y691 WeakPolarHBondContact CE1-CD2 3.5Å; H681-Y691 AromaticContact CE1-CE2 3.7Å; H681-Y691 AromaticContact ND1-CD2 3.69Å; H681-Y691 AromaticContact ND1-CE2 3.52Å; H681-Y691 AromaticContact NE2-CD2 3.96Å; P685-Y691 HydrophobicContact CG-CD2 3.95Å; P685-Y691 HydrophobicContact CG-CG 4.35Å; S687-Y691 WeakPolarHBondContact O-CB 3.45Å; S687-Y691 PolarHBondContact O-N 3.18Å; I688-Y691 PolarHBondContact O-N 3.24Å; Y691-E694 PolarHBondContact O-N 2.94Å; Y691-A695 HydrophobicContact CE2-CB 4.43Å; Y691-A695 WeakPolarHBondContact O-CB 3.45Å; Y691-A695 PolarHBondContact O-N 2.91Å; Y691-L709 HydrophobicContact CD2-CD1 3.81Å; Y691-L709 HydrophobicContact CE2-CB 4.14Å; Y691-L709 HydrophobicContact CE2-CD1 3.65Å; Y691-L709 HydrophobicContact CE2-CG 4.46Å; Y691-L709 HydrophobicContact CG-CD1 4.46Å; Y691-M746 HydrophobicContact CD1-CE 3.73Å; Y691-M746 HydrophobicContact CD1-SD 4.49Å; Y691-M746 HydrophobicContact CD2-CE 3.98Å; Y691-M746 HydrophobicContact CE1-CE 4.35Å; Y691-M746 HydrophobicContact CG-CE 3.5Å; Y691-M746 VanDerWaalsContact CG-CE 3.5Å; Y691-M746 HydrophobicContact CG-SD 4.39Å; Y691-Y749 HydrophobicContact CD1-CE1 4.19Å; Y691-Y749 AromaticContact CE1-CE1 3.66Å; Y691-Y749 HydrophobicContact CE1-CE1 3.66Å; Y691-Y749 AromaticContact CE1-CZ 3.75Å; Y691-Y749 WeakPolarHBondContact CE1-OH 3.38Å; Y691-I761 HydrophobicContact CE1-CD1 4.25Å
692	Y	91.6	Very high	89.9	Confident	5 Å²	5	17.4 Å²	17.4	2%	0.02	10%	0.096	C	C	.	.	H	α-helix	trans	-64.6	-43.4	177.9	176.9	-94	0	0	0	112.2	P408 T550 F575 I688 E689 G690 E694 G696 I761 F765	P408-Y692 WeakPolarHBondContact CB-OH 3.3Å; T550-Y692 HydrophobicContact CG2-CD1 3.65Å; T550-Y692 HydrophobicContact CG2-CE1 4.14Å; F575-Y692 HydrophobicContact CB-CE2 4.49Å; F575-Y692 WeakPolarHBondContact O-CE2 3.34Å; F575-Y692 PolarHBondContact O-OH 3.47Å; I688-Y692 WeakPolarHBondContact O-CB 3.28Å; I688-Y692 PolarHBondContact O-N 3.49Å; E689-Y692 PolarHBondContact O-N 2.78Å; G690-Y692 VanDerWaalsContact C-N 3.29Å; G690-Y692 PolarHBondContact O-N 3.25Å; Y692-E694 VanDerWaalsContact C-N 3.35Å; Y692-E694 PolarHBondContact O-N 3.32Å; Y692-G696 PolarHBondContact O-N 3.08Å; Y692-I761 HydrophobicContact CD2-CG2 3.71Å; Y692-I761 HydrophobicContact CE2-CG2 4.29Å; Y692-F765 AromaticContact CD1-CE2 3.94Å; Y692-F765 HydrophobicContact CD1-CE2 3.94Å; Y692-F765 AromaticContact CD1-CZ 3.93Å; Y692-F765 HydrophobicContact CD1-CZ 3.93Å; Y692-F765 AromaticContact CD2-CE2 3.99Å; Y692-F765 HydrophobicContact CD2-CE2 3.99Å; Y692-F765 HydrophobicContact CE1-CE2 4.45Å; Y692-F765 HydrophobicContact CE2-CE2 4.47Å; Y692-F765 AromaticContact CG-CE2 3.69Å; Y692-F765 HydrophobicContact CG-CE2 3.69Å; Y692-F765 AromaticContact CG-CZ 3.96Å; Y692-F765 HydrophobicContact CG-CZ 3.96Å
693	Q	87.8	Confident	89.4	Confident	22 Å²	22	20.7 Å²	20.7	10%	0.103	11%	0.114	C	C	.	.	H	α-helix	trans	-64	-38.5	175.4	-69	-160.1	-6.1	0	0	113	H516 H523 T550 E689 G690 R697	H516-Q693 PolarHBondContact CE1-NE2 2.8Å; H516-Q693 VanDerWaalsContact CE1-NE2 3.34Å; H523-Q693 PolarHBondContact CE1-NE2 3.32Å; H523-Q693 VanDerWaalsContact NE2-CD 3.27Å; H523-Q693 PolarHBondContact NE2-NE2 3.13Å; H523-Q693 VanDerWaalsContact NE2-NE2 3.11Å; H523-Q693 PolarHBondContact NE2-OE1 3.47Å; T550-Q693 HydrophobicContact CG2-CG 3.61Å; T550-Q693 PolarHBondContact OG1-NE2 3.44Å; E689-Q693 PolarHBondContact O-N 2.98Å; G690-Q693 PolarHBondContact O-N 3.46Å; G690-Q693 VanDerWaalsContact O-N 3.16Å; Q693-R697 WeakPolarHBondContact O-CG 3.46Å; Q693-R697 PolarHBondContact O-NE 3.48Å
694	E	91.1	Very high	89.2	Confident	12 Å²	12	24.5 Å²	24.5	6%	0.056	14%	0.139	C	C	.	.	H	α-helix	trans	-71.9	-45.9	179.9	-71.9	166.4	176	0	0	111.8	Y612 I665 H681 G690 Y691 Y692 R697	Y612-E694 HydrophobicContact CD2-CB 4.04Å; Y612-E694 HydrophobicContact CD2-CG 4.4Å; Y612-E694 HydrophobicContact CE2-CB 3.68Å; Y612-E694 HydrophobicContact CE2-CG 4Å; I665-E694 WeakPolarHBondContact CG1-OE1 3.35Å; H681-E694 IonicContact CD2-OE2 2.69Å; H681-E694 PolarHBondContact CD2-OE2 2.69Å; H681-E694 IonicContact CE1-OE2 3.18Å; H681-E694 WeakPolarHBondContact NE2-CB 3.3Å; H681-E694 IonicContact NE2-OE2 3.65Å; H681-E694 PolarHBondContact NE2-OE2 3.25Å; G690-E694 WeakPolarHBondContact O-CB 3.41Å; G690-E694 VanDerWaalsContact O-CG 3.29Å; G690-E694 WeakPolarHBondContact O-CG 3.39Å; G690-E694 PolarHBondContact O-N 2.93Å; Y691-E694 PolarHBondContact O-N 2.94Å; Y692-E694 VanDerWaalsContact C-N 3.35Å; Y692-E694 PolarHBondContact O-N 3.32Å; E694-R697 WeakPolarHBondContact O-CB 3.34Å; E694-R697 WeakPolarHBondContact O-CG 3.5Å
695	A	92.3	Very high	89.1	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.5	-42.1	175.2	0	0	0	0	0	111.9	F582 Y691 R697 S698 C707	F582-A695 HydrophobicContact CE1-CB 4.15Å; Y691-A695 HydrophobicContact CE2-CB 4.43Å; Y691-A695 WeakPolarHBondContact O-CB 3.45Å; Y691-A695 PolarHBondContact O-N 2.91Å; A695-R697 PolarHBondContact O-N 3.4Å; A695-S698 PolarHBondContact O-N 3.47Å; A695-S698 PolarHBondContact O-OG 3.23Å; A695-C707 HydrophobicContact CB-CB 4.12Å
696	G	87.9	Confident	89.2	Confident	2 Å²	2	24.7 Å²	24.7	2%	0.021	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	0.7	-179.5	0	0	0	0	0	116	R577 Y692	R577-G696 PolarHBondContact NH1-O 2.8Å; Y692-G696 PolarHBondContact O-N 3.08Å
697	R	86.5	Confident	89.6	Confident	27 Å²	27	20.8 Å²	20.8	10%	0.102	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-24.4	169.9	-56.5	-174	-174.1	-65.3	-13	112.8	I610 Y612 G668 Q693 E694 A695	I610-R697 HydrophobicContact CD1-CB 4.3Å; Y612-R697 VanDerWaalsContact OH-CD 3.29Å; Y612-R697 WeakPolarHBondContact OH-CD 3.32Å; Y612-R697 PolarHBondContact OH-NE 2.87Å; G668-R697 VanDerWaalsContact C-CZ 3.46Å; G668-R697 PolarHBondContact O-NH1 3.2Å; G668-R697 PolarHBondContact O-NH2 2.85Å; Q693-R697 WeakPolarHBondContact O-CG 3.46Å; Q693-R697 PolarHBondContact O-NE 3.48Å; E694-R697 WeakPolarHBondContact O-CB 3.34Å; E694-R697 WeakPolarHBondContact O-CG 3.5Å; A695-R697 PolarHBondContact O-N 3.4Å
698	S	90.4	Very high	89.8	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-72.2	155.1	170.3	67.5	0	0	0	0	111.4	R577 L580 V676 A695 R700 C707	R577-S698 PolarHBondContact NH2-O 2.76Å; L580-S698 WeakPolarHBondContact CD2-OG 3.3Å; V676-S698 CarbonylContact O-C 3.6Å; V676-S698 VanDerWaalsContact O-CA 3.24Å; V676-S698 WeakPolarHBondContact O-CA 3.5Å; V676-S698 WeakPolarHBondContact O-CB 3.32Å; A695-S698 PolarHBondContact O-N 3.47Å; A695-S698 PolarHBondContact O-OG 3.23Å; S698-R700 PolarHBondContact O-N 2.89Å; S698-C707 PolarHBondContact OG-SG 3.41Å; S698-C707 VanDerWaalsContact OG-SG 3.35Å
699	G	87.4	Confident	90.1	Very high	1 Å²	1	20 Å²	20	1%	0.01	12%	0.118	C	C	.	.			trans	54.4	41.9	169.1	0	0	0	0	0	116.3	R577 N579 V676 D701 G702 S705	R577-G699 PolarHBondContact NH2-O 3.42Å; N579-G699 WeakPolarHBondContact ND2-CA 3.43Å; N579-G699 PolarHBondContact ND2-O 3.13Å; V676-G699 PolarHBondContact O-N 3.22Å; G699-D701 VanDerWaalsContact C-N 3.26Å; G699-D701 WeakPolarHBondContact CA-OD1 3.46Å; G699-G702 PolarHBondContact O-N 2.69Å; G699-G702 VanDerWaalsContact O-N 3.13Å; G699-S705 WeakPolarHBondContact CA-OG 3.46Å; G699-S705 PolarHBondContact N-OG 3.09Å
700	R	84.1	Confident	90.4	Very high	57 Å²	57	19.6 Å²	19.6	22%	0.215	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-19.7	175.6	-70.7	-174.2	-177.1	-178.5	12	112.7	I671 D672 P674 S698 G702	I671-R700 VanDerWaalsContact O-CZ 3.29Å; I671-R700 PolarHBondContact O-NH1 3.31Å; I671-R700 PolarHBondContact O-NH2 2.89Å; D672-R700 VanDerWaalsContact CA-NH1 3.33Å; D672-R700 VanDerWaalsContact CB-NH1 3.33Å; D672-R700 WeakPolarHBondContact OD1-CD 3.44Å; D672-R700 IonicContact OD1-CZ 2.76Å; D672-R700 IonicContact OD1-NE 2.77Å; D672-R700 IonicContact OD1-NH1 2.68Å; D672-R700 PolarHBondContact OD1-NH1 2.93Å; D672-R700 IonicContact OD2-NH1 2.74Å; P674-R700 PolarHBondContact O-N 2.78Å; P674-R700 VanDerWaalsContact O-N 3.13Å; S698-R700 PolarHBondContact O-N 2.89Å; R700-G702 PolarHBondContact O-N 2.98Å
701	D	80.6	Confident	90.7	Very high	40 Å²	40	20.3 Å²	20.3	21%	0.214	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	2.1	162.6	60.6	4.9	0	0	0	114.5	P674 R677 G699 L703	P674-D701 HydrophobicContact CB-CB 4.32Å; P674-D701 PolarHBondContact O-N 3.02Å; P674-D701 VanDerWaalsContact O-N 3.14Å; R677-D701 IonicContact CZ-OD1 3.7Å; R677-D701 IonicContact CZ-OD2 3.04Å; R677-D701 VanDerWaalsContact CZ-OD2 3.29Å; R677-D701 IonicContact NH1-OD1 2.88Å; R677-D701 IonicContact NH1-OD2 3.97Å; R677-D701 PolarHBondContact NH1-OD2 3.34Å; R677-D701 VanDerWaalsContact NH2-CG 3.28Å; R677-D701 IonicContact NH2-OD1 2.61Å; R677-D701 PolarHBondContact NH2-OD1 3.16Å; R677-D701 IonicContact NH2-OD2 3.89Å; R677-D701 PolarHBondContact NH2-OD2 3.48Å; G699-D701 VanDerWaalsContact C-N 3.26Å; G699-D701 WeakPolarHBondContact CA-OD1 3.46Å; D701-L703 PolarHBondContact O-N 2.72Å; D701-L703 WeakPolarHBondContact OD1-CB 3.35Å; D701-L703 PolarHBondContact OD1-N 2.89Å
702	G	81.4	Confident	90.6	Very high	47 Å²	47	23.6 Å²	23.6	49%	0.485	13%	0.131	S	C	.	.	S	Bend	trans	75.3	-5.1	-177.3	0	0	0	0	0	115	N579 G699 R700	N579-G702 WeakPolarHBondContact CB-O 3.1Å; N579-G702 PolarHBondContact ND2-O 2.86Å; G699-G702 PolarHBondContact O-N 2.69Å; G699-G702 VanDerWaalsContact O-N 3.13Å; R700-G702 PolarHBondContact O-N 2.98Å
703	L	86	Confident	90.5	Very high	85 Å²	85	24.3 Å²	24.3	45%	0.445	13%	0.134	S	C	.	.	S	Bend	trans	-78.6	151.8	-177.4	-62.5	180	0	0	0	112.3	N579 D701 S705	N579-L703 PolarHBondContact ND2-O 3.02Å; D701-L703 PolarHBondContact O-N 2.72Å; D701-L703 WeakPolarHBondContact OD1-CB 3.35Å; D701-L703 PolarHBondContact OD1-N 2.89Å; L703-S705 PolarHBondContact O-N 3.14Å; L703-S705 PolarHBondContact O-OG 2.92Å
704	P	90	Very high	90.5	Very high	86 Å²	86	27.9 Å²	27.9	56%	0.558	15%	0.15	S	C	*	.			trans	-50.4	127.3	178.5	-30.2	36.8	0	0	0	113	N579 R677	N579-P704 WeakPolarHBondContact O-CA 3.44Å; R677-P704 PolarHBondContact NE-O 3.48Å
705	S	93.6	Very high	90.5	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.014	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	147.8	-176.9	-49.7	0	0	0	0	110.9	N579 L580 R581 V676 R677 G699 L703	N579-S705 PolarHBondContact O-N 3.37Å; L580-S705 WeakPolarHBondContact CA-O 3.03Å; R581-S705 PolarHBondContact N-O 3.33Å; V676-S705 PolarHBondContact O-OG 3.23Å; R677-S705 PolarHBondContact NE-OG 2.86Å; R677-S705 PolarHBondContact NH2-OG 2.88Å; R677-S705 CarbonylContact O-C 3.59Å; R677-S705 VanDerWaalsContact O-CA 3.28Å; R677-S705 WeakPolarHBondContact O-CA 3.47Å; R677-S705 WeakPolarHBondContact O-CB 3.5Å; G699-S705 WeakPolarHBondContact CA-OG 3.46Å; G699-S705 PolarHBondContact N-OG 3.09Å; L703-S705 PolarHBondContact O-N 3.14Å; L703-S705 PolarHBondContact O-OG 2.92Å
706	T	96.1	Very high	90.4	Very high	13 Å²	13	27.4 Å²	27.4	8%	0.08	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	133.3	-169.3	-49.7	0	0	0	0	112.5	R581 F604 R677 F678 V679 I708	R581-T706 HydrophobicContact CB-CG2 4.28Å; R581-T706 HydrophobicContact CG-CG2 4.21Å; F604-T706 HydrophobicContact CZ-CG2 4.32Å; R677-T706 PolarHBondContact O-N 3.07Å; F678-T706 VanDerWaalsContact CA-O 3.29Å; F678-T706 WeakPolarHBondContact CA-O 3.16Å; V679-T706 PolarHBondContact N-O 3.31Å; T706-I708 HydrophobicContact CG2-CD1 4.15Å; T706-I708 HydrophobicContact CG2-CG1 3.72Å
707	C	97.3	Very high	90.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	102.3	-179.5	-63.4	0	0	0	0	109.2	R581 F582 E583 V679 A695 S698	R581-C707 PolarHBondContact O-N 3.12Å; F582-C707 HydrophobicContact CD1-CB 4.01Å; F582-C707 HydrophobicContact CE1-CB 4.31Å; E583-C707 PolarHBondContact N-O 2.94Å; V679-C707 WeakPolarHBondContact O-CA 3.39Å; A695-C707 HydrophobicContact CB-CB 4.12Å; S698-C707 PolarHBondContact OG-SG 3.41Å; S698-C707 VanDerWaalsContact OG-SG 3.35Å
708	I	97.6	Very high	90.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.8	-173.8	-52.9	175.8	0	0	0	109.6	R585 V599 V679 I680 H681 T706 Y710	R585-I708 HydrophobicContact CB-CG2 4.42Å; R585-I708 HydrophobicContact CG-CG2 3.89Å; V599-I708 HydrophobicContact CG1-CD1 3.8Å; V679-I708 PolarHBondContact O-N 2.97Å; I680-I708 CarbonylContact C-O 3.16Å; I680-I708 WeakPolarHBondContact CA-O 3.35Å; I680-I708 HydrophobicContact CG1-CB 4.29Å; I680-I708 HydrophobicContact CG1-CD1 4.46Å; H681-I708 PolarHBondContact N-O 3.3Å; T706-I708 HydrophobicContact CG2-CD1 4.15Å; T706-I708 HydrophobicContact CG2-CG1 3.72Å; I708-Y710 HydrophobicContact CG2-CD2 4.21Å; I708-Y710 HydrophobicContact CG2-CE2 3.86Å
709	L	97.8	Very high	90.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.4	175.3	-172.9	156.5	0	0	0	111.3	E583 V584 R585 H681 L684 P685 Y691 M746	E583-L709 PolarHBondContact O-N 2.99Å; V584-L709 CarbonylContact C-O 3.56Å; V584-L709 WeakPolarHBondContact CA-O 3.34Å; V584-L709 HydrophobicContact CG1-CD2 4.15Å; V584-L709 HydrophobicContact CG2-CB 4.5Å; R585-L709 PolarHBondContact N-O 3.03Å; H681-L709 HydrophobicContact CB-CB 4.29Å; H681-L709 HydrophobicContact CB-CG 4.04Å; L684-L709 HydrophobicContact CD1-CD1 4.45Å; L684-L709 HydrophobicContact CD1-CD2 4.23Å; P685-L709 HydrophobicContact CG-CD1 4.22Å; Y691-L709 HydrophobicContact CD2-CD1 3.81Å; Y691-L709 HydrophobicContact CE2-CB 4.14Å; Y691-L709 HydrophobicContact CE2-CD1 3.65Å; Y691-L709 HydrophobicContact CE2-CG 4.46Å; Y691-L709 HydrophobicContact CG-CD1 4.46Å; L709-M746 HydrophobicContact CD1-CE 3.25Å
710	Y	96.8	Very high	90.6	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	107.4	174	-78.7	-86.1	0	0	0	110.8	R585 C592 E595 I596 I680 H681 I708	R585-Y710 HydrophobicContact CB-CD1 4.2Å; R585-Y710 HydrophobicContact CB-CE1 4.1Å; R585-Y710 WeakPolarHBondContact O-CA 2.99Å; C592-Y710 VanDerWaalsContact SG-CD1 3.56Å; E595-Y710 HydrophobicContact CB-CE1 4.42Å; I596-Y710 HydrophobicContact CD1-CD2 4.3Å; I596-Y710 HydrophobicContact CD1-CE2 4.17Å; I596-Y710 HydrophobicContact CG1-CD2 4.24Å; I596-Y710 HydrophobicContact CG1-CE2 3.62Å; I680-Y710 HydrophobicContact CG2-CD2 3.84Å; I680-Y710 HydrophobicContact CG2-CE2 3.81Å; H681-Y710 WeakPolarHBondContact O-CB 3.32Å; H681-Y710 PolarHBondContact O-N 3.29Å; I708-Y710 HydrophobicContact CG2-CD2 4.21Å; I708-Y710 HydrophobicContact CG2-CE2 3.86Å
711	Y	94.5	Very high	90.7	Very high	25 Å²	25	31.7 Å²	31.7	10%	0.098	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	136.5	-173.2	167	-112.1	0	0	0	113.3	R585 K587 L684 V716 C750 E751	R585-Y711 PolarHBondContact O-N 2.94Å; K587-Y711 WeakPolarHBondContact CB-O 3.34Å; K587-Y711 PolarHBondContact N-O 3.33Å; L684-Y711 HydrophobicContact CD1-CD2 4.16Å; L684-Y711 HydrophobicContact CD2-CD2 4.42Å; L684-Y711 HydrophobicContact CD2-CE2 4.46Å; Y711-V716 HydrophobicContact CE2-CG2 4.45Å; Y711-C750 HydrophobicContact CD1-CB 3.92Å; Y711-C750 HydrophobicContact CD2-CB 3.66Å; Y711-C750 HydrophobicContact CE1-CB 4.21Å; Y711-C750 HydrophobicContact CE2-CB 3.98Å; Y711-C750 HydrophobicContact CG-CB 3.64Å; Y711-E751 HydrophobicContact CE1-CG 4.26Å; Y711-E751 VanDerWaalsContact CE1-OE1 3.25Å; Y711-E751 WeakPolarHBondContact CE1-OE1 3.28Å; Y711-E751 PolarHBondContact OH-OE1 3.45Å
712	H	92.2	Very high	90.9	Very high	69 Å²	69	33.8 Å²	33.8	32%	0.319	18%	0.178	S	C	.	.			trans	-162	139.6	168.8	177.2	-79.5	0	0	0	110.6	K587 H714 D715	K587-H712 HydrophobicContact CB-CB 3.79Å; K587-H712 HydrophobicContact CD-CB 4.46Å; K587-H712 HydrophobicContact CG-CB 4.42Å; H712-H714 VanDerWaalsContact ND1-CB 3.26Å; H712-H714 WeakPolarHBondContact ND1-CB 3.32Å; H712-H714 PolarHBondContact ND1-N 2.9Å; H712-H714 PolarHBondContact O-N 3.46Å; H712-D715 PolarHBondContact O-N 3.11Å
713	W	88.3	Confident	90.9	Very high	21 Å²	21	31.7 Å²	31.7	8%	0.08	16%	0.156	C	C	.	.	H	α-helix	trans	-55.2	-31.8	-170.7	-168.4	-101	0	0	0	115.2	D715 V716 V717 Y744 V747 H863 V866 E873	W713-D715 PolarHBondContact O-N 3.4Å; W713-D715 VanDerWaalsContact O-N 3.12Å; W713-V716 HydrophobicContact CD2-CB 4.33Å; W713-V716 HydrophobicContact CD2-CG2 4.17Å; W713-V716 HydrophobicContact CE3-CG2 3.99Å; W713-V716 HydrophobicContact CZ3-CG2 4.48Å; W713-V716 WeakPolarHBondContact O-CA 3.44Å; W713-V716 WeakPolarHBondContact O-CB 3.46Å; W713-V716 WeakPolarHBondContact O-CG2 3.1Å; W713-V716 PolarHBondContact O-N 3.07Å; W713-V717 PolarHBondContact O-N 2.97Å; W713-Y744 HydrophobicContact CH2-CE1 4.21Å; W713-V747 HydrophobicContact CE3-CG1 4.39Å; W713-V747 HydrophobicContact CH2-CG1 4.39Å; W713-V747 HydrophobicContact CZ3-CG1 3.6Å; W713-H863 AromaticContact CD1-CD2 3.95Å; W713-H863 AromaticContact CD1-NE2 3.65Å; W713-H863 HydrophobicContact CD2-CB 4.3Å; W713-H863 AromaticContact CD2-CD2 3.39Å; W713-H863 AromaticContact CD2-CE1 3.94Å; W713-H863 AromaticContact CD2-CG 3.61Å; W713-H863 AromaticContact CD2-ND1 3.92Å; W713-H863 AromaticContact CD2-NE2 3.64Å; W713-H863 AromaticContact CE2-CD2 3.56Å; W713-H863 HydrophobicContact CE3-CB 3.73Å; W713-H863 AromaticContact CE3-CD2 3.73Å; W713-H863 AromaticContact CE3-CG 3.42Å; W713-H863 VanDerWaalsContact CE3-CG 3.42Å; W713-H863 AromaticContact CE3-ND1 3.69Å; W713-H863 AromaticContact CG-CD2 3.68Å; W713-H863 AromaticContact CG-CE1 3.67Å; W713-H863 AromaticContact CG-NE2 3.37Å; W713-H863 HydrophobicContact CH2-CB 3.86Å; W713-H863 HydrophobicContact CZ2-CB 4.43Å; W713-H863 HydrophobicContact CZ3-CB 3.47Å; W713-H863 VanDerWaalsContact CZ3-CB 3.47Å; W713-H863 AromaticContact CZ3-CG 3.73Å; W713-H863 AromaticContact NE1-CD2 3.89Å; W713-V866 HydrophobicContact CH2-CB 4.32Å; W713-V866 HydrophobicContact CH2-CG1 4.23Å; W713-V866 HydrophobicContact CZ2-CB 4.14Å; W713-V866 HydrophobicContact CZ2-CG1 3.86Å; W713-E873 PolarHBondContact NE1-OE1 3.16Å
714	H	88.5	Confident	90.6	Very high	97 Å²	97	32 Å²	32	45%	0.449	16%	0.156	S	C	.	.	H	α-helix	trans	-51.9	-33.5	174.7	-177.3	-107.9	0	0	0	113.9	H712 V717 R718	H712-H714 VanDerWaalsContact ND1-CB 3.26Å; H712-H714 WeakPolarHBondContact ND1-CB 3.32Å; H712-H714 PolarHBondContact ND1-N 2.9Å; H712-H714 PolarHBondContact O-N 3.46Å; H714-V717 PolarHBondContact O-N 2.77Å; H714-R718 VanDerWaalsContact O-CG 3.31Å; H714-R718 WeakPolarHBondContact O-CG 3.01Å; H714-R718 PolarHBondContact O-N 3.02Å; H714-R718 VanDerWaalsContact O-N 3.14Å
715	D	92.1	Very high	89.6	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-73	-28.6	175.9	-68.2	-33.7	0	0	0	112.2	K587 L684 H712 W713 R718 L719	K587-D715 WeakPolarHBondContact CD-OD2 3.32Å; K587-D715 IonicContact NZ-OD1 3.55Å; K587-D715 IonicContact NZ-OD2 3.55Å; K587-D715 PolarHBondContact NZ-OD2 3.4Å; L684-D715 HydrophobicContact CB-CB 4.1Å; H712-D715 PolarHBondContact O-N 3.11Å; W713-D715 PolarHBondContact O-N 3.4Å; W713-D715 VanDerWaalsContact O-N 3.12Å; D715-R718 PolarHBondContact O-N 3.22Å; D715-R718 IonicContact OD1-CZ 2.74Å; D715-R718 IonicContact OD1-NH1 3.15Å; D715-R718 PolarHBondContact OD1-NH1 3.43Å; D715-L719 WeakPolarHBondContact O-CB 3.47Å; D715-L719 VanDerWaalsContact O-CD1 3.29Å; D715-L719 WeakPolarHBondContact O-CD1 3.43Å; D715-L719 WeakPolarHBondContact O-CG 3.48Å; D715-L719 PolarHBondContact O-N 3.26Å
716	V	90.2	Very high	88.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.4	-48.6	170.1	-170.7	0	0	0	0	110	L684 Y711 W713 R718 L719 R720 L743 V747	L684-V716 HydrophobicContact CD2-CG2 3.64Å; Y711-V716 HydrophobicContact CE2-CG2 4.45Å; W713-V716 HydrophobicContact CD2-CB 4.33Å; W713-V716 HydrophobicContact CD2-CG2 4.17Å; W713-V716 HydrophobicContact CE3-CG2 3.99Å; W713-V716 HydrophobicContact CZ3-CG2 4.48Å; W713-V716 WeakPolarHBondContact O-CA 3.44Å; W713-V716 WeakPolarHBondContact O-CB 3.46Å; W713-V716 WeakPolarHBondContact O-CG2 3.1Å; W713-V716 PolarHBondContact O-N 3.07Å; V716-R718 VanDerWaalsContact C-N 3.3Å; V716-R718 PolarHBondContact O-N 3.39Å; V716-L719 PolarHBondContact O-N 3.37Å; V716-R720 WeakPolarHBondContact O-CG 3.37Å; V716-R720 PolarHBondContact O-N 3.3Å; V716-L743 HydrophobicContact CG1-CD2 3.94Å; V716-L743 HydrophobicContact CG1-CG 4.16Å; V716-V747 HydrophobicContact CB-CG2 4.43Å; V716-V747 HydrophobicContact CG1-CG2 3.99Å; V716-V747 HydrophobicContact CG2-CG2 3.51Å
717	V	87.8	Confident	86.2	Confident	21 Å²	21	36 Å²	36	13%	0.127	19%	0.193	C	C	.	.	H	α-helix	trans	-60.7	-40.2	178.5	-178.5	0	0	0	0	111.3	W713 H714 R720 K721 L875 A885	W713-V717 PolarHBondContact O-N 2.97Å; H714-V717 PolarHBondContact O-N 2.77Å; V717-R720 PolarHBondContact O-N 3.03Å; V717-K721 PolarHBondContact O-N 3.07Å; V717-L875 HydrophobicContact CG1-CD2 4.08Å; V717-A885 HydrophobicContact CG1-CB 4.13Å; V717-A885 HydrophobicContact CG2-CB 4.36Å
718	R	89.7	Confident	84.1	Confident	65 Å²	65	42 Å²	42	25%	0.245	24%	0.235	C	C	.	.	H	α-helix	trans	-64.9	-43.7	175.1	-67.7	168.9	68.9	-161.6	5.3	112.3	L614 E618 H714 D715 V716 R720 K721 L722	L614-R718 HydrophobicContact CD2-CB 3.94Å; E618-R718 IonicContact OE1-CZ 3.2Å; E618-R718 IonicContact OE1-NH1 2.75Å; E618-R718 PolarHBondContact OE1-NH1 3.49Å; E618-R718 IonicContact OE1-NH2 2.83Å; E618-R718 PolarHBondContact OE1-NH2 3.25Å; E618-R718 IonicContact OE2-CZ 3.68Å; E618-R718 IonicContact OE2-NH1 2.8Å; E618-R718 IonicContact OE2-NH2 2.76Å; E618-R718 PolarHBondContact OE2-NH2 3.44Å; H714-R718 VanDerWaalsContact O-CG 3.31Å; H714-R718 WeakPolarHBondContact O-CG 3.01Å; H714-R718 PolarHBondContact O-N 3.02Å; H714-R718 VanDerWaalsContact O-N 3.14Å; D715-R718 PolarHBondContact O-N 3.22Å; D715-R718 IonicContact OD1-CZ 2.74Å; D715-R718 IonicContact OD1-NH1 3.15Å; D715-R718 PolarHBondContact OD1-NH1 3.43Å; V716-R718 VanDerWaalsContact C-N 3.3Å; V716-R718 PolarHBondContact O-N 3.39Å; R718-R720 VanDerWaalsContact C-N 3.33Å; R718-K721 PolarHBondContact O-N 3.24Å; R718-L722 WeakPolarHBondContact O-CG 3.37Å; R718-L722 PolarHBondContact O-N 3.32Å; R718-L722 VanDerWaalsContact O-N 3.13Å
719	L	90.4	Very high	82.1	Confident	1 Å²	1	45 Å²	45	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-64.2	-37.6	176.4	-71.8	158.3	0	0	0	111.5	L614 L684 K686 D715 V716 L722 I723 L743	L614-L719 HydrophobicContact CD1-CD2 3.59Å; L614-L719 HydrophobicContact CD1-CG 4.35Å; L614-L719 HydrophobicContact CD2-CD2 4.35Å; L614-L719 HydrophobicContact CD2-CG 4.22Å; L684-L719 HydrophobicContact CB-CD1 3.97Å; L684-L719 HydrophobicContact CD2-CD1 4.12Å; L684-L719 HydrophobicContact CG-CD1 4.14Å; L684-L719 WeakPolarHBondContact O-CD1 3.41Å; K686-L719 HydrophobicContact CG-CD2 3.84Å; D715-L719 WeakPolarHBondContact O-CB 3.47Å; D715-L719 VanDerWaalsContact O-CD1 3.29Å; D715-L719 WeakPolarHBondContact O-CD1 3.43Å; D715-L719 WeakPolarHBondContact O-CG 3.48Å; D715-L719 PolarHBondContact O-N 3.26Å; V716-L719 PolarHBondContact O-N 3.37Å; L719-L722 PolarHBondContact O-N 3.09Å; L719-I723 VanDerWaalsContact O-CG1 3.3Å; L719-I723 WeakPolarHBondContact O-CG1 3.48Å; L719-I723 PolarHBondContact O-N 2.88Å; L719-L743 HydrophobicContact CB-CD1 4.09Å; L719-L743 HydrophobicContact CB-CD2 3.67Å; L719-L743 HydrophobicContact CD1-CD1 3.58Å; L719-L743 HydrophobicContact CG-CD1 4.42Å
720	R	88.3	Confident	80.1	Confident	7 Å²	7	48.3 Å²	48.3	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-38.5	173.1	-66.6	177.3	75.4	-129.1	-9.8	112.5	V716 V717 R718 L722 I723 Q724 E740 L743 Y744 E873 L875	V716-R720 WeakPolarHBondContact O-CG 3.37Å; V716-R720 PolarHBondContact O-N 3.3Å; V717-R720 PolarHBondContact O-N 3.03Å; R718-R720 VanDerWaalsContact C-N 3.33Å; R720-L722 VanDerWaalsContact C-N 3.31Å; R720-L722 PolarHBondContact O-N 3.21Å; R720-I723 PolarHBondContact O-N 3.3Å; R720-Q724 WeakPolarHBondContact O-CB 3.15Å; R720-Q724 WeakPolarHBondContact O-CG 3.29Å; R720-Q724 PolarHBondContact O-N 2.98Å; R720-E740 IonicContact CZ-OE1 2.7Å; R720-E740 IonicContact NE-OE1 3.54Å; R720-E740 PolarHBondContact NE-OE1 2.92Å; R720-E740 IonicContact NH2-OE1 3.57Å; R720-E740 PolarHBondContact NH2-OE1 3.18Å; R720-L743 HydrophobicContact CG-CD2 3.66Å; R720-Y744 PolarHBondContact NE-OH 3.32Å; R720-E873 IonicContact CZ-OE2 3.88Å; R720-E873 PolarHBondContact NH1-O 2.93Å; R720-E873 IonicContact NH1-OE2 3.72Å; R720-E873 PolarHBondContact NH1-OE2 3.06Å; R720-E873 PolarHBondContact NH2-O 2.95Å; R720-L875 HydrophobicContact CB-CD1 3.88Å
721	K	85	Confident	78.2	Confident	84 Å²	84	53.3 Å²	53.3	37%	0.365	31%	0.314	S	S	.	.	H	α-helix	trans	-59.2	-42.9	170.7	-168.7	-173.1	-171.8	175.9	0	110.8	V717 R718 G725 L875 D881 V883	V717-K721 PolarHBondContact O-N 3.07Å; R718-K721 PolarHBondContact O-N 3.24Å; K721-G725 PolarHBondContact O-N 3.38Å; K721-L875 HydrophobicContact CB-CD1 4.47Å; K721-D881 PolarHBondContact NZ-O 2.99Å; K721-D881 IonicContact NZ-OD1 3.41Å; K721-D881 PolarHBondContact NZ-OD1 3.49Å; K721-D881 VanDerWaalsContact NZ-OD1 3.07Å; K721-V883 HydrophobicContact CD-CB 4.26Å; K721-V883 HydrophobicContact CD-CG2 3.52Å; K721-V883 VanDerWaalsContact CE-CG2 3.47Å; K721-V883 HydrophobicContact CG-CG2 4.06Å
722	L	84.7	Confident	76.6	Confident	83 Å²	83	52.7 Å²	52.7	44%	0.435	31%	0.314	S	S	.	.	H	α-helix	trans	-64.1	-53.2	178.7	-68	169.2	0	0	0	111.5	L614 R718 L719 R720 Q724 G725	L614-L722 HydrophobicContact CD1-CD1 3.96Å; L614-L722 HydrophobicContact CG-CD1 4.4Å; R718-L722 WeakPolarHBondContact O-CG 3.37Å; R718-L722 PolarHBondContact O-N 3.32Å; R718-L722 VanDerWaalsContact O-N 3.13Å; L719-L722 PolarHBondContact O-N 3.09Å; R720-L722 VanDerWaalsContact C-N 3.31Å; R720-L722 PolarHBondContact O-N 3.21Å; L722-Q724 PolarHBondContact O-N 3.1Å; L722-G725 WeakPolarHBondContact O-CA 3.37Å; L722-G725 PolarHBondContact O-N 3.44Å
723	I	82.9	Confident	75.3	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-58.8	-33	-180	-67.2	161.9	0	0	0	112.2	L719 R720 G725 H736 H739 L743	L719-I723 VanDerWaalsContact O-CG1 3.3Å; L719-I723 WeakPolarHBondContact O-CG1 3.48Å; L719-I723 PolarHBondContact O-N 2.88Å; R720-I723 PolarHBondContact O-N 3.3Å; I723-G725 VanDerWaalsContact C-N 3.34Å; I723-H736 HydrophobicContact CG2-CB 4.15Å; I723-H736 PolarHBondContact O-CD2 3.32Å; I723-H736 VanDerWaalsContact O-CD2 3.3Å; I723-H736 PolarHBondContact O-CE1 3.33Å; I723-H736 VanDerWaalsContact O-CE1 3.28Å; I723-H736 PolarHBondContact O-ND1 2.94Å; I723-H736 PolarHBondContact O-NE2 3.33Å; I723-H739 HydrophobicContact CD1-CB 4.01Å; I723-H739 HydrophobicContact CG1-CB 4.04Å; I723-H739 HydrophobicContact CG2-CB 3.77Å; I723-L743 HydrophobicContact CD1-CB 4.41Å; I723-L743 HydrophobicContact CD1-CD2 4.08Å
724	Q	78.5	Confident	74.4	Confident	92 Å²	92	58.7 Å²	58.7	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-80.6	-14.1	176.7	-69	176.8	5.4	0	0	113.6	R720 L722	R720-Q724 WeakPolarHBondContact O-CB 3.15Å; R720-Q724 WeakPolarHBondContact O-CG 3.29Å; R720-Q724 PolarHBondContact O-N 2.98Å; L722-Q724 PolarHBondContact O-N 3.1Å
725	G	69	Low	73.7	Confident	60 Å²	60	56.4 Å²	56.4	62%	0.619	34%	0.342	S	S	*	.	H	α-helix	trans	-79.9	-19.9	176.8	0	0	0	0	0	114.1	K721 L722 I723 G727	K721-G725 PolarHBondContact O-N 3.38Å; L722-G725 WeakPolarHBondContact O-CA 3.37Å; L722-G725 PolarHBondContact O-N 3.44Å; I723-G725 VanDerWaalsContact C-N 3.34Å; G725-G727 PolarHBondContact O-N 3.35Å
726	D	62.9	Low	73	Confident	93 Å²	93	57.7 Å²	57.7	50%	0.497	35%	0.347	S	S	.	.	S	Bend	trans	-74	19.2	-171.2	-60.7	-29.1	0	0	0	114.2
727	G	55.2	Low	72.5	Confident	32 Å²	32	61.9 Å²	61.9	33%	0.33	37%	0.367	S	S	.	.			trans	120.3	149.6	165.7	0	0	0	0	0	116.4	G725 A732 H736	G725-G727 PolarHBondContact O-N 3.35Å; G727-A732 VanDerWaalsContact O-CB 3.23Å; G727-A732 WeakPolarHBondContact O-CB 3.47Å; G727-H736 PolarHBondContact O-CE1 3.11Å
728	S	53.8	Low	72.1	Confident	124 Å²	124	62.3 Å²	62.3	87%	0.867	37%	0.367	S	S	*	.			trans	-91.7	8	-174.4	-58.8	0	0	0	0	115.5
729	S	55	Low	71.8	Confident	64 Å²	64	61.4 Å²	61.4	45%	0.448	37%	0.366	S	S	.	.	S	Bend	trans	-74.5	159.5	-173.4	83.5	0	0	0	0	113.1	V731 A732 R733	S729-V731 PolarHBondContact O-N 3.28Å; S729-A732 WeakPolarHBondContact O-CB 3.43Å; S729-A732 PolarHBondContact O-N 3.3Å; S729-A732 WeakPolarHBondContact OG-CB 3.45Å; S729-A732 PolarHBondContact OG-N 3.49Å; S729-R733 PolarHBondContact O-N 3.19Å
730	A	55.6	Low	71.6	Confident	70 Å²	70	62.2 Å²	62.2	58%	0.579	37%	0.37	S	S	*	.	H	α-helix	trans	-62.7	-31.1	176.5	0	0	0	0	0	112.8
731	V	57	Low	71.5	Confident	106 Å²	106	64.8 Å²	64.8	64%	0.642	38%	0.384	S	S	*	.	H	α-helix	trans	-69.3	-46.8	173	-179.3	0	0	0	0	110.1	S729 R733 G734 T735	S729-V731 PolarHBondContact O-N 3.28Å; V731-R733 VanDerWaalsContact C-N 3.28Å; V731-R733 PolarHBondContact O-N 3.46Å; V731-G734 PolarHBondContact O-N 3.32Å; V731-T735 PolarHBondContact O-N 3.02Å; V731-T735 PolarHBondContact O-OG1 3.32Å
732	A	61.7	Low	71.7	Confident	12 Å²	12	61 Å²	61	10%	0.099	37%	0.368	C	S	.	.	H	α-helix	trans	-55.9	-41	178	0	0	0	0	0	111.8	G727 S729 G734 T735 H736	G727-A732 VanDerWaalsContact O-CB 3.23Å; G727-A732 WeakPolarHBondContact O-CB 3.47Å; S729-A732 WeakPolarHBondContact O-CB 3.43Å; S729-A732 PolarHBondContact O-N 3.3Å; S729-A732 WeakPolarHBondContact OG-CB 3.45Å; S729-A732 PolarHBondContact OG-N 3.49Å; A732-G734 VanDerWaalsContact C-N 3.27Å; A732-G734 PolarHBondContact O-N 3.08Å; A732-T735 CarbonylContact O-C 3.59Å; A732-T735 WeakPolarHBondContact O-CB 3.29Å; A732-T735 PolarHBondContact O-N 2.58Å; A732-T735 VanDerWaalsContact O-N 3.08Å; A732-H736 WeakPolarHBondContact O-CB 3.18Å; A732-H736 PolarHBondContact O-CD2 2.93Å; A732-H736 PolarHBondContact O-N 3.46Å
733	R	64.8	Low	72	Confident	168 Å²	168	57.1 Å²	57.1	63%	0.634	35%	0.348	S	S	*	.	H	α-helix	trans	-54.4	-38.2	174.9	-68.2	-167.3	-62.1	-119.1	6.2	114.1	S729 V731 Q737	S729-R733 PolarHBondContact O-N 3.19Å; V731-R733 VanDerWaalsContact C-N 3.28Å; V731-R733 PolarHBondContact O-N 3.46Å; R733-Q737 WeakPolarHBondContact O-CB 3.4Å; R733-Q737 PolarHBondContact O-N 3.2Å; R733-Q737 VanDerWaalsContact O-N 3.14Å
734	G	70.1	Confident	72.3	Confident	48 Å²	48	57.4 Å²	57.4	50%	0.495	35%	0.349	S	S	.	.	H	α-helix	trans	-68	-44.2	176.5	0	0	0	0	0	112.2	V731 A732 Q737 F738	V731-G734 PolarHBondContact O-N 3.32Å; A732-G734 VanDerWaalsContact C-N 3.27Å; A732-G734 PolarHBondContact O-N 3.08Å; G734-Q737 PolarHBondContact O-N 3.48Å; G734-F738 PolarHBondContact O-N 2.82Å
735	T	72.4	Confident	72.9	Confident	50 Å²	50	55.7 Å²	55.7	31%	0.307	34%	0.338	S	S	.	.	H	α-helix	trans	-64.7	-42.7	176.1	-51.7	0	0	0	0	111.9	V731 A732 Q737 F738 H739	V731-T735 PolarHBondContact O-N 3.02Å; V731-T735 PolarHBondContact O-OG1 3.32Å; A732-T735 CarbonylContact O-C 3.59Å; A732-T735 WeakPolarHBondContact O-CB 3.29Å; A732-T735 PolarHBondContact O-N 2.58Å; A732-T735 VanDerWaalsContact O-N 3.08Å; T735-Q737 PolarHBondContact O-N 2.8Å; T735-F738 PolarHBondContact O-N 2.68Å; T735-H739 WeakPolarHBondContact CG2-NE2 3.27Å; T735-H739 PolarHBondContact O-CD2 3.16Å; T735-H739 PolarHBondContact O-N 3.09Å
736	H	78.2	Confident	74	Confident	27 Å²	27	52.8 Å²	52.8	13%	0.125	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-45	177.4	-67.5	-169.2	0	0	0	111.4	I723 G727 A732 F738 H739 E740	I723-H736 HydrophobicContact CG2-CB 4.15Å; I723-H736 PolarHBondContact O-CD2 3.32Å; I723-H736 VanDerWaalsContact O-CD2 3.3Å; I723-H736 PolarHBondContact O-CE1 3.33Å; I723-H736 VanDerWaalsContact O-CE1 3.28Å; I723-H736 PolarHBondContact O-ND1 2.94Å; I723-H736 PolarHBondContact O-NE2 3.33Å; G727-H736 PolarHBondContact O-CE1 3.11Å; A732-H736 WeakPolarHBondContact O-CB 3.18Å; A732-H736 PolarHBondContact O-CD2 2.93Å; A732-H736 PolarHBondContact O-N 3.46Å; H736-F738 VanDerWaalsContact C-N 3.33Å; H736-F738 PolarHBondContact O-N 3.4Å; H736-H739 PolarHBondContact O-N 3.5Å; H736-E740 WeakPolarHBondContact O-CB 3.45Å; H736-E740 PolarHBondContact O-N 3.21Å
737	Q	79.9	Confident	75.4	Confident	88 Å²	88	48.4 Å²	48.4	41%	0.411	29%	0.285	S	S	.	.	H	α-helix	trans	-58.9	-45	175.4	179.7	61.6	47.3	0	0	111.1	R733 G734 T735 E740 D741	R733-Q737 WeakPolarHBondContact O-CB 3.4Å; R733-Q737 PolarHBondContact O-N 3.2Å; R733-Q737 VanDerWaalsContact O-N 3.14Å; G734-Q737 PolarHBondContact O-N 3.48Å; T735-Q737 PolarHBondContact O-N 2.8Å; Q737-E740 PolarHBondContact O-N 3.48Å; Q737-D741 VanDerWaalsContact NE2-CG 3.27Å; Q737-D741 PolarHBondContact NE2-OD1 3.08Å; Q737-D741 VanDerWaalsContact NE2-OD1 3.16Å; Q737-D741 PolarHBondContact NE2-OD2 3.28Å; Q737-D741 PolarHBondContact O-N 2.78Å
738	F	79.4	Confident	77	Confident	30 Å²	30	48.1 Å²	48.1	13%	0.132	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-43.5	177.2	173.7	-116.2	0	0	0	112.9	W521 G734 T735 H736 D741 A742	W521-F738 HydrophobicContact CB-CZ 4.25Å; W521-F738 HydrophobicContact CE3-CB 4.43Å; W521-F738 HydrophobicContact CE3-CD1 4.39Å; W521-F738 AromaticContact CE3-CD2 3.51Å; W521-F738 HydrophobicContact CE3-CD2 3.51Å; W521-F738 AromaticContact CE3-CE2 3.82Å; W521-F738 HydrophobicContact CE3-CE2 3.82Å; W521-F738 AromaticContact CE3-CG 3.83Å; W521-F738 HydrophobicContact CE3-CG 3.83Å; W521-F738 HydrophobicContact CE3-CZ 4.39Å; W521-F738 HydrophobicContact CZ3-CB 4.21Å; W521-F738 AromaticContact CZ3-CD2 3.82Å; W521-F738 HydrophobicContact CZ3-CD2 3.82Å; W521-F738 HydrophobicContact CZ3-CG 4.08Å; W521-F738 WeakPolarHBondContact O-CZ 3.34Å; G734-F738 PolarHBondContact O-N 2.82Å; T735-F738 PolarHBondContact O-N 2.68Å; H736-F738 VanDerWaalsContact C-N 3.33Å; H736-F738 PolarHBondContact O-N 3.4Å; F738-D741 PolarHBondContact O-N 2.98Å; F738-A742 WeakPolarHBondContact O-CB 3.3Å; F738-A742 PolarHBondContact O-N 3.32Å
739	H	83.9	Confident	78.8	Confident	47 Å²	47	42.4 Å²	42.4	22%	0.218	24%	0.238	C	C	.	.	H	α-helix	trans	-65.8	-36	175.5	-69.3	-42.7	0	0	0	112.6	I723 T735 H736 A742 L743	I723-H739 HydrophobicContact CD1-CB 4.01Å; I723-H739 HydrophobicContact CG1-CB 4.04Å; I723-H739 HydrophobicContact CG2-CB 3.77Å; T735-H739 WeakPolarHBondContact CG2-NE2 3.27Å; T735-H739 PolarHBondContact O-CD2 3.16Å; T735-H739 PolarHBondContact O-N 3.09Å; H736-H739 PolarHBondContact O-N 3.5Å; H739-A742 WeakPolarHBondContact O-CB 3.49Å; H739-A742 PolarHBondContact O-N 3.36Å; H739-L743 WeakPolarHBondContact O-CB 3.35Å; H739-L743 PolarHBondContact O-N 3.06Å
740	E	86.1	Confident	80.6	Confident	18 Å²	18	39.5 Å²	39.5	8%	0.084	22%	0.217	C	C	.	.	H	α-helix	trans	-68	-38.9	175.1	-159.2	-174.4	-136.2	0	0	111.6	R720 H736 Q737 A742 L743 Y744 R869	R720-E740 IonicContact CZ-OE1 2.7Å; R720-E740 IonicContact NE-OE1 3.54Å; R720-E740 PolarHBondContact NE-OE1 2.92Å; R720-E740 IonicContact NH2-OE1 3.57Å; R720-E740 PolarHBondContact NH2-OE1 3.18Å; H736-E740 WeakPolarHBondContact O-CB 3.45Å; H736-E740 PolarHBondContact O-N 3.21Å; Q737-E740 PolarHBondContact O-N 3.48Å; E740-A742 VanDerWaalsContact C-N 3.3Å; E740-A742 PolarHBondContact O-N 3.41Å; E740-L743 WeakPolarHBondContact O-CB 3.21Å; E740-L743 PolarHBondContact O-N 3.11Å; E740-Y744 HydrophobicContact CG-CD2 4.01Å; E740-Y744 HydrophobicContact CG-CE2 3.62Å; E740-Y744 VanDerWaalsContact O-CD2 3.25Å; E740-Y744 WeakPolarHBondContact O-CD2 3.45Å; E740-Y744 PolarHBondContact O-N 3.48Å; E740-R869 IonicContact OE2-CZ 3.43Å; E740-R869 IonicContact OE2-NH1 3.97Å; E740-R869 PolarHBondContact OE2-NH1 3.49Å; E740-R869 IonicContact OE2-NH2 3.82Å; E740-R869 PolarHBondContact OE2-NH2 2.73Å
741	D	86.3	Confident	82.1	Confident	61 Å²	61	37.9 Å²	37.9	33%	0.326	20%	0.198	S	C	.	.	H	α-helix	trans	-72.1	-21.8	173.1	-66.8	-29.1	0	0	0	112.9	Q737 F738 R745 R869	Q737-D741 VanDerWaalsContact NE2-CG 3.27Å; Q737-D741 PolarHBondContact NE2-OD1 3.08Å; Q737-D741 VanDerWaalsContact NE2-OD1 3.16Å; Q737-D741 PolarHBondContact NE2-OD2 3.28Å; Q737-D741 PolarHBondContact O-N 2.78Å; F738-D741 PolarHBondContact O-N 2.98Å; D741-R745 WeakPolarHBondContact O-CG 3.24Å; D741-R745 PolarHBondContact O-N 2.89Å; D741-R745 PolarHBondContact O-NE 3.48Å; D741-R869 IonicContact OD1-CZ 3.43Å; D741-R869 IonicContact OD1-NE 3.43Å; D741-R869 IonicContact OD1-NH2 3.38Å; D741-R869 PolarHBondContact OD1-NH2 3.47Å
742	A	87.8	Confident	83.3	Confident	5 Å²	5	33.6 Å²	33.6	4%	0.041	17%	0.171	C	C	.	.	H	α-helix	trans	-73.8	-40.7	168	0	0	0	0	0	112	F738 H739 E740 R745 M746	F738-A742 WeakPolarHBondContact O-CB 3.3Å; F738-A742 PolarHBondContact O-N 3.32Å; H739-A742 WeakPolarHBondContact O-CB 3.49Å; H739-A742 PolarHBondContact O-N 3.36Å; E740-A742 VanDerWaalsContact C-N 3.3Å; E740-A742 PolarHBondContact O-N 3.41Å; A742-R745 VanDerWaalsContact CA-NH2 3.25Å; A742-R745 VanDerWaalsContact CB-NH2 3.33Å; A742-R745 PolarHBondContact O-N 3.47Å; A742-M746 PolarHBondContact O-N 3.36Å; A742-M746 VanDerWaalsContact O-N 3.11Å
743	L	91.4	Very high	84.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-45.5	174.2	177.8	60.1	0	0	0	111.7	L684 K686 V716 L719 R720 I723 H739 E740 R745 M746 V747	L684-L743 HydrophobicContact CD2-CD1 3.92Å; K686-L743 WeakPolarHBondContact O-CA 3.11Å; K686-L743 PolarHBondContact O-N 3.09Å; V716-L743 HydrophobicContact CG1-CD2 3.94Å; V716-L743 HydrophobicContact CG1-CG 4.16Å; L719-L743 HydrophobicContact CB-CD1 4.09Å; L719-L743 HydrophobicContact CB-CD2 3.67Å; L719-L743 HydrophobicContact CD1-CD1 3.58Å; L719-L743 HydrophobicContact CG-CD1 4.42Å; R720-L743 HydrophobicContact CG-CD2 3.66Å; I723-L743 HydrophobicContact CD1-CB 4.41Å; I723-L743 HydrophobicContact CD1-CD2 4.08Å; H739-L743 WeakPolarHBondContact O-CB 3.35Å; H739-L743 PolarHBondContact O-N 3.06Å; E740-L743 WeakPolarHBondContact O-CB 3.21Å; E740-L743 PolarHBondContact O-N 3.11Å; L743-R745 VanDerWaalsContact C-N 3.3Å; L743-R745 PolarHBondContact O-N 3.35Å; L743-M746 PolarHBondContact O-N 3.15Å; L743-V747 WeakPolarHBondContact O-CG2 3.05Å; L743-V747 PolarHBondContact O-N 3.38Å
744	Y	90.1	Very high	84.8	Confident	10 Å²	10	30.2 Å²	30.2	4%	0.039	16%	0.162	C	C	.	.	H	α-helix	trans	-67.5	-27.4	178.1	-74.4	-52.8	0	0	0	113.4	W713 R720 E740 S748 V866	W713-Y744 HydrophobicContact CH2-CE1 4.21Å; R720-Y744 PolarHBondContact NE-OH 3.32Å; E740-Y744 HydrophobicContact CG-CD2 4.01Å; E740-Y744 HydrophobicContact CG-CE2 3.62Å; E740-Y744 VanDerWaalsContact O-CD2 3.25Å; E740-Y744 WeakPolarHBondContact O-CD2 3.45Å; E740-Y744 PolarHBondContact O-N 3.48Å; Y744-S748 WeakPolarHBondContact O-CB 3.5Å; Y744-S748 PolarHBondContact O-N 3.41Å; Y744-S748 PolarHBondContact O-OG 2.6Å; Y744-V866 HydrophobicContact CE1-CG1 4.17Å; Y744-V866 WeakPolarHBondContact OH-CG1 3.47Å
745	R	89.3	Confident	85.5	Confident	56 Å²	56	29.4 Å²	29.4	21%	0.211	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-45.6	165.9	-78.1	178.1	-72.8	140.9	-2.8	111.4	I688 E689 D741 A742 L743 V747 S748 Y749 H764	I688-R745 HydrophobicContact CD1-CB 4.17Å; E689-R745 IonicContact OE1-CZ 3.62Å; E689-R745 IonicContact OE1-NH1 3.22Å; E689-R745 PolarHBondContact OE1-NH1 2.74Å; E689-R745 IonicContact OE1-NH2 3.07Å; D741-R745 WeakPolarHBondContact O-CG 3.24Å; D741-R745 PolarHBondContact O-N 2.89Å; D741-R745 PolarHBondContact O-NE 3.48Å; A742-R745 VanDerWaalsContact CA-NH2 3.25Å; A742-R745 VanDerWaalsContact CB-NH2 3.33Å; A742-R745 PolarHBondContact O-N 3.47Å; L743-R745 VanDerWaalsContact C-N 3.3Å; L743-R745 PolarHBondContact O-N 3.35Å; R745-V747 PolarHBondContact O-N 3.05Å; R745-S748 WeakPolarHBondContact O-CB 3.43Å; R745-S748 PolarHBondContact O-N 3.36Å; R745-S748 VanDerWaalsContact O-N 3.16Å; R745-Y749 PolarHBondContact O-N 3.47Å; R745-H764 PolarHBondContact NH1-NE2 2.93Å
746	M	93.5	Very high	86.3	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.6	-34.6	177.9	-168.2	59.2	-163.7	0	0	113.4	L684 P685 I688 Y691 L709 A742 L743 Y749 C750	L684-M746 HydrophobicContact CD1-CE 4.43Å; L684-M746 HydrophobicContact CD1-CG 3.86Å; L684-M746 HydrophobicContact CG-CG 4.43Å; P685-M746 HydrophobicContact CG-CE 4.27Å; I688-M746 HydrophobicContact CB-SD 4.25Å; I688-M746 HydrophobicContact CG1-CB 4.3Å; I688-M746 HydrophobicContact CG1-SD 3.58Å; I688-M746 VanDerWaalsContact CG1-SD 3.58Å; Y691-M746 HydrophobicContact CD1-CE 3.73Å; Y691-M746 HydrophobicContact CD1-SD 4.49Å; Y691-M746 HydrophobicContact CD2-CE 3.98Å; Y691-M746 HydrophobicContact CE1-CE 4.35Å; Y691-M746 HydrophobicContact CG-CE 3.5Å; Y691-M746 VanDerWaalsContact CG-CE 3.5Å; Y691-M746 HydrophobicContact CG-SD 4.39Å; L709-M746 HydrophobicContact CD1-CE 3.25Å; A742-M746 PolarHBondContact O-N 3.36Å; A742-M746 VanDerWaalsContact O-N 3.11Å; L743-M746 PolarHBondContact O-N 3.15Å; M746-Y749 HydrophobicContact CE-CD1 3.67Å; M746-Y749 HydrophobicContact CE-CE1 3.99Å; M746-Y749 PolarHBondContact O-N 3.1Å; M746-Y749 HydrophobicContact SD-CD1 4.08Å; M746-C750 PolarHBondContact O-N 2.89Å; M746-C750 VanDerWaalsContact O-N 3.16Å; M746-C750 PolarHBondContact O-SG 2.72Å
747	V	92	Very high	87	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-62.3	-44.6	169.6	165.3	0	0	0	0	111.1	L684 W713 V716 L743 R745 Y749 C750 E751	L684-V747 HydrophobicContact CD2-CG2 3.93Å; W713-V747 HydrophobicContact CE3-CG1 4.39Å; W713-V747 HydrophobicContact CH2-CG1 4.39Å; W713-V747 HydrophobicContact CZ3-CG1 3.6Å; V716-V747 HydrophobicContact CB-CG2 4.43Å; V716-V747 HydrophobicContact CG1-CG2 3.99Å; V716-V747 HydrophobicContact CG2-CG2 3.51Å; L743-V747 WeakPolarHBondContact O-CG2 3.05Å; L743-V747 PolarHBondContact O-N 3.38Å; R745-V747 PolarHBondContact O-N 3.05Å; V747-Y749 VanDerWaalsContact C-N 3.34Å; V747-Y749 PolarHBondContact O-N 3.16Å; V747-C750 WeakPolarHBondContact O-CB 3.47Å; V747-C750 PolarHBondContact O-N 2.7Å; V747-E751 PolarHBondContact O-N 3.01Å
748	S	88.9	Confident	87.6	Confident	25 Å²	25	22 Å²	22	18%	0.175	11%	0.108	C	C	.	.	H	α-helix	trans	-63	-39.4	178.8	-61.2	0	0	0	0	112	Y744 R745 C750 N752	Y744-S748 WeakPolarHBondContact O-CB 3.5Å; Y744-S748 PolarHBondContact O-N 3.41Å; Y744-S748 PolarHBondContact O-OG 2.6Å; R745-S748 WeakPolarHBondContact O-CB 3.43Å; R745-S748 PolarHBondContact O-N 3.36Å; R745-S748 VanDerWaalsContact O-N 3.16Å; S748-C750 VanDerWaalsContact C-N 3.33Å; S748-C750 PolarHBondContact O-N 3.45Å; S748-N752 WeakPolarHBondContact O-CB 3.4Å; S748-N752 PolarHBondContact O-N 3.49Å; S748-N752 VanDerWaalsContact O-N 3.1Å
749	Y	92.3	Very high	88.1	Confident	5 Å²	5	23.2 Å²	23.2	2%	0.02	11%	0.113	C	C	.	.	H	α-helix	trans	-57.6	-44.4	169.7	168.5	-100.1	0	0	0	111.6	V584 Y691 R745 M746 V747 R757 Q760 I761	V584-Y749 HydrophobicContact CG2-CE1 3.98Å; Y691-Y749 HydrophobicContact CD1-CE1 4.19Å; Y691-Y749 AromaticContact CE1-CE1 3.66Å; Y691-Y749 HydrophobicContact CE1-CE1 3.66Å; Y691-Y749 AromaticContact CE1-CZ 3.75Å; Y691-Y749 WeakPolarHBondContact CE1-OH 3.38Å; R745-Y749 PolarHBondContact O-N 3.47Å; M746-Y749 HydrophobicContact CE-CD1 3.67Å; M746-Y749 HydrophobicContact CE-CE1 3.99Å; M746-Y749 PolarHBondContact O-N 3.1Å; M746-Y749 HydrophobicContact SD-CD1 4.08Å; V747-Y749 VanDerWaalsContact C-N 3.34Å; V747-Y749 PolarHBondContact O-N 3.16Å; Y749-R757 HydrophobicContact CE2-CB 4.21Å; Y749-R757 PolarHBondContact O-NH1 3.29Å; Y749-Q760 HydrophobicContact CD2-CB 3.93Å; Y749-Q760 HydrophobicContact CE2-CB 4.34Å; Y749-I761 HydrophobicContact CD2-CG1 4.45Å; Y749-I761 HydrophobicContact CE2-CD1 4.07Å; Y749-I761 HydrophobicContact CE2-CG1 3.85Å
750	C	92.5	Very high	88.4	Confident	3 Å²	3	22.4 Å²	22.4	2%	0.02	11%	0.11	C	C	.	.	H	α-helix	trans	-69.1	-40.3	-178.5	-64	0	0	0	0	113.4	V584 L684 Y711 M746 V747 S748	V584-C750 HydrophobicContact CG1-CB 4.3Å; L684-C750 WeakPolarHBondContact CD1-SG 3.33Å; Y711-C750 HydrophobicContact CD1-CB 3.92Å; Y711-C750 HydrophobicContact CD2-CB 3.66Å; Y711-C750 HydrophobicContact CE1-CB 4.21Å; Y711-C750 HydrophobicContact CE2-CB 3.98Å; Y711-C750 HydrophobicContact CG-CB 3.64Å; M746-C750 PolarHBondContact O-N 2.89Å; M746-C750 VanDerWaalsContact O-N 3.16Å; M746-C750 PolarHBondContact O-SG 2.72Å; V747-C750 WeakPolarHBondContact O-CB 3.47Å; V747-C750 PolarHBondContact O-N 2.7Å; S748-C750 VanDerWaalsContact C-N 3.33Å; S748-C750 PolarHBondContact O-N 3.45Å
751	E	86.4	Confident	88.7	Confident	35 Å²	35	21.7 Å²	21.7	16%	0.164	11%	0.106	C	C	.	.	H	α-helix	trans	-73.4	-24.2	179.1	-75.8	-65.2	168.7	0	0	114.1	Y711 V747 Q753 R860	Y711-E751 HydrophobicContact CE1-CG 4.26Å; Y711-E751 VanDerWaalsContact CE1-OE1 3.25Å; Y711-E751 WeakPolarHBondContact CE1-OE1 3.28Å; Y711-E751 PolarHBondContact OH-OE1 3.45Å; V747-E751 PolarHBondContact O-N 3.01Å; E751-Q753 PolarHBondContact O-N 3.47Å; E751-Q753 VanDerWaalsContact O-N 3.15Å; E751-R860 WeakPolarHBondContact OE2-CG 3.35Å; E751-R860 IonicContact OE2-NE 2.73Å; E751-R860 PolarHBondContact OE2-NE 3.48Å
752	N	82.9	Confident	88.9	Confident	16 Å²	16	18.9 Å²	18.9	9%	0.086	9%	0.091	C	C	.	.			trans	-74.3	104.5	178.4	-172	-19.1	0	0	0	111.1	S748 I754 D755 R757 N784	S748-N752 WeakPolarHBondContact O-CB 3.4Å; S748-N752 PolarHBondContact O-N 3.49Å; S748-N752 VanDerWaalsContact O-N 3.1Å; N752-I754 PolarHBondContact OD1-N 3.31Å; N752-D755 PolarHBondContact ND2-OD2 3.36Å; N752-D755 PolarHBondContact OD1-N 2.83Å; N752-D755 PolarHBondContact OD1-OD2 2.93Å; N752-R757 PolarHBondContact O-NH1 3.47Å; N752-N784 PolarHBondContact O-ND2 2.91Å
753	Q	81.7	Confident	88.8	Confident	59 Å²	59	20 Å²	20	28%	0.276	10%	0.099	S	C	.	.			trans	-101.1	11.3	177.3	-61.3	179.6	29.7	0	0	113.2	E751 N784 L793	E751-Q753 PolarHBondContact O-N 3.47Å; E751-Q753 VanDerWaalsContact O-N 3.15Å; Q753-N784 WeakPolarHBondContact CA-OD1 3.47Å; Q753-L793 WeakPolarHBondContact O-CD1 3.42Å
754	I	76.7	Confident	88.6	Confident	51 Å²	51	21.7 Å²	21.7	26%	0.262	11%	0.107	S	C	.	.	S	Bend	trans	-105.8	-62.1	-179.4	-64	161.6	0	0	0	110.1	W340 N752 L793 H795 P906	W340-I754 HydrophobicContact CZ2-CD1 4.22Å; N752-I754 PolarHBondContact OD1-N 3.31Å; I754-L793 HydrophobicContact CD1-CB 4.45Å; I754-L793 HydrophobicContact CG1-CB 4.05Å; I754-L793 HydrophobicContact CG1-CD1 3.73Å; I754-L793 HydrophobicContact CG1-CG 4.32Å; I754-H795 WeakPolarHBondContact CD1-NE2 3.33Å; I754-P906 HydrophobicContact CD1-CB 3.52Å; I754-P906 HydrophobicContact CD1-CG 4.28Å; I754-P906 HydrophobicContact CG1-CB 4.34Å
755	D	83	Confident	88.4	Confident	31 Å²	31	21.2 Å²	21.2	17%	0.166	11%	0.105	C	C	.	.	S	Bend	trans	-74.3	145.4	-166.1	-65.9	-70.2	0	0	0	112.1	N752 R757 Q760 N784	N752-D755 PolarHBondContact ND2-OD2 3.36Å; N752-D755 PolarHBondContact OD1-N 2.83Å; N752-D755 PolarHBondContact OD1-OD2 2.93Å; D755-R757 PolarHBondContact O-N 3.45Å; D755-Q760 HydrophobicContact CB-CG 3.86Å; D755-Q760 PolarHBondContact O-NE2 3.35Å; D755-N784 PolarHBondContact O-ND2 3.38Å
756	C	89.4	Confident	87.9	Confident	4 Å²	4	19 Å²	19	3%	0.027	10%	0.1	C	C	.	.			trans	-50.2	126.3	174.5	177.3	0	0	0	0	111.4	R758 K759 Q760 C774 C785	C756-R758 PolarHBondContact O-N 3.49Å; C756-K759 HydrophobicContact CB-CB 3.9Å; C756-K759 WeakPolarHBondContact O-CA 3.47Å; C756-K759 WeakPolarHBondContact O-CB 3.24Å; C756-K759 PolarHBondContact O-N 2.95Å; C756-Q760 PolarHBondContact O-N 2.73Å; C756-C774 WeakPolarHBondContact SG-CB 3.29Å; C756-C774 PolarHBondContact SG-SG 3.36Å; C756-C785 VanDerWaalsContact CB-SG 3.58Å
757	R	93.3	Very high	87.4	Confident	3 Å²	3	19 Å²	19	1%	0.011	10%	0.1	C	C	.	.	H	α-helix	trans	-55.7	-39.2	179.6	-60.7	-61.5	-174.9	-170.9	-6.5	112.4	F582 Y749 N752 D755 Q760 I761 C782 D783 N784	F582-R757 HydrophobicContact CB-CB 3.82Å; F582-R757 HydrophobicContact CB-CG 4.14Å; Y749-R757 HydrophobicContact CE2-CB 4.21Å; Y749-R757 PolarHBondContact O-NH1 3.29Å; N752-R757 PolarHBondContact O-NH1 3.47Å; D755-R757 PolarHBondContact O-N 3.45Å; R757-Q760 PolarHBondContact O-N 2.89Å; R757-I761 VanDerWaalsContact O-CG1 3.31Å; R757-I761 WeakPolarHBondContact O-CG1 3.37Å; R757-I761 PolarHBondContact O-N 2.95Å; R757-C782 HydrophobicContact CB-CB 3.8Å; R757-C782 HydrophobicContact CG-CB 3.76Å; R757-C782 PolarHBondContact N-SG 2.91Å; R757-C782 VanDerWaalsContact N-SG 3.4Å; R757-D783 WeakPolarHBondContact CD-OD1 3.49Å; R757-D783 WeakPolarHBondContact CG-OD1 3.25Å; R757-D783 IonicContact CZ-OD1 3.65Å; R757-D783 IonicContact CZ-OD2 2.8Å; R757-D783 IonicContact NE-OD1 3.93Å; R757-D783 PolarHBondContact NE-OD1 3.32Å; R757-D783 IonicContact NE-OD2 3.23Å; R757-D783 PolarHBondContact NE-OD2 3.25Å; R757-D783 IonicContact NH2-OD1 3.13Å; R757-D783 IonicContact NH2-OD2 3.02Å; R757-D783 PolarHBondContact NH2-OD2 2.94Å; R757-N784 PolarHBondContact NH2-OD1 2.79Å; R757-N784 VanDerWaalsContact NH2-OD1 3.07Å
758	R	93.2	Very high	86.9	Confident	2 Å²	2	20 Å²	20	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-51.3	174	-68.5	-179	174.3	80.3	-1.6	110.7	A578 L580 F582 C756 Q760 I761 L762 F769 C774 C780	A578-R758 PolarHBondContact O-NH2 3Å; L580-R758 PolarHBondContact O-NH2 3.33Å; F582-R758 HydrophobicContact CD2-CG 4.41Å; C756-R758 PolarHBondContact O-N 3.49Å; R758-Q760 VanDerWaalsContact C-N 3.33Å; R758-Q760 PolarHBondContact O-N 2.91Å; R758-I761 PolarHBondContact O-N 3.02Å; R758-L762 HydrophobicContact CB-CD1 4.26Å; R758-L762 WeakPolarHBondContact O-CB 3.26Å; R758-L762 WeakPolarHBondContact O-CG 3.32Å; R758-L762 PolarHBondContact O-N 3.05Å; R758-F769 HydrophobicContact CB-CD1 4.03Å; R758-F769 HydrophobicContact CB-CE1 3.7Å; R758-F769 HydrophobicContact CB-CZ 4.23Å; R758-C774 PolarHBondContact NH1-SG 3.31Å; R758-C780 PolarHBondContact NH1-O 3.26Å; R758-C780 PolarHBondContact NH2-O 2.97Å
759	K	89.9	Confident	86.7	Confident	55 Å²	55	19.2 Å²	19.2	24%	0.239	10%	0.101	C	C	.	.	H	α-helix	trans	-53.8	-48.5	176.3	-174.3	178.5	178	-174.5	0	111.7	C756 I761 L762 S763 F769	C756-K759 HydrophobicContact CB-CB 3.9Å; C756-K759 WeakPolarHBondContact O-CA 3.47Å; C756-K759 WeakPolarHBondContact O-CB 3.24Å; C756-K759 PolarHBondContact O-N 2.95Å; K759-I761 PolarHBondContact O-N 2.86Å; K759-L762 PolarHBondContact O-N 2.87Å; K759-S763 VanDerWaalsContact O-CB 3.3Å; K759-S763 WeakPolarHBondContact O-CB 3.47Å; K759-S763 PolarHBondContact O-N 2.93Å; K759-S763 PolarHBondContact O-OG 3.12Å; K759-F769 HydrophobicContact CB-CD1 4.27Å
760	Q	89.9	Confident	86.3	Confident	30 Å²	30	23.4 Å²	23.4	14%	0.14	12%	0.124	C	C	.	.	H	α-helix	trans	-58.6	-45.7	178.9	-63.7	-176.3	52.4	0	0	112.8	Y749 D755 C756 R757 R758 H764	Y749-Q760 HydrophobicContact CD2-CB 3.93Å; Y749-Q760 HydrophobicContact CE2-CB 4.34Å; D755-Q760 HydrophobicContact CB-CG 3.86Å; D755-Q760 PolarHBondContact O-NE2 3.35Å; C756-Q760 PolarHBondContact O-N 2.73Å; R757-Q760 PolarHBondContact O-N 2.89Å; R758-Q760 VanDerWaalsContact C-N 3.33Å; R758-Q760 PolarHBondContact O-N 2.91Å; Q760-H764 PolarHBondContact O-N 3.32Å
761	I	92.1	Very high	85.8	Confident	3 Å²	3	26 Å²	26	2%	0.015	14%	0.142	C	C	.	.	H	α-helix	trans	-67.2	-45.1	178.9	-68.6	166.8	0	0	0	111.2	F582 Y691 Y692 Y749 R757 R758 K759 H764 F765	F582-I761 HydrophobicContact CD1-CD1 3.93Å; F582-I761 HydrophobicContact CE1-CD1 3.85Å; F582-I761 HydrophobicContact CE2-CD1 4.44Å; F582-I761 HydrophobicContact CG-CD1 4.27Å; F582-I761 HydrophobicContact CZ-CD1 4.12Å; Y691-I761 HydrophobicContact CE1-CD1 4.25Å; Y692-I761 HydrophobicContact CD2-CG2 3.71Å; Y692-I761 HydrophobicContact CE2-CG2 4.29Å; Y749-I761 HydrophobicContact CD2-CG1 4.45Å; Y749-I761 HydrophobicContact CE2-CD1 4.07Å; Y749-I761 HydrophobicContact CE2-CG1 3.85Å; R757-I761 VanDerWaalsContact O-CG1 3.31Å; R757-I761 WeakPolarHBondContact O-CG1 3.37Å; R757-I761 PolarHBondContact O-N 2.95Å; R758-I761 PolarHBondContact O-N 3.02Å; K759-I761 PolarHBondContact O-N 2.86Å; I761-H764 PolarHBondContact O-N 2.99Å; I761-F765 HydrophobicContact CG2-CD2 4.22Å; I761-F765 HydrophobicContact CG2-CE2 3.98Å; I761-F765 VanDerWaalsContact O-CD2 3.26Å; I761-F765 WeakPolarHBondContact O-CD2 3.48Å; I761-F765 PolarHBondContact O-N 2.82Å
762	L	89.9	Confident	85.6	Confident	3 Å²	3	27.3 Å²	27.3	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-71.5	-41.4	-174.7	-63.4	172.6	0	0	0	111.5	F575 N576 R758 K759 H764 F765 G766 E767 F769	F575-L762 HydrophobicContact CB-CD2 3.61Å; N576-L762 HydrophobicContact CB-CD1 3.91Å; N576-L762 HydrophobicContact CB-CD2 4.27Å; R758-L762 HydrophobicContact CB-CD1 4.26Å; R758-L762 WeakPolarHBondContact O-CB 3.26Å; R758-L762 WeakPolarHBondContact O-CG 3.32Å; R758-L762 PolarHBondContact O-N 3.05Å; K759-L762 PolarHBondContact O-N 2.87Å; L762-H764 VanDerWaalsContact C-N 3.28Å; L762-H764 PolarHBondContact O-N 3.07Å; L762-F765 CarbonylContact O-C 3.54Å; L762-F765 WeakPolarHBondContact O-CA 3.42Å; L762-F765 PolarHBondContact O-N 2.88Å; L762-G766 PolarHBondContact O-N 3.48Å; L762-G766 VanDerWaalsContact O-N 3.13Å; L762-E767 CarbonylContact C-O 3.57Å; L762-E767 HydrophobicContact CB-CB 4.15Å; L762-E767 HydrophobicContact CB-CG 4.41Å; L762-E767 PolarHBondContact O-N 3.24Å; L762-F769 HydrophobicContact CB-CB 4.19Å; L762-F769 HydrophobicContact CD1-CB 3.59Å; L762-F769 HydrophobicContact CD1-CD1 4.14Å; L762-F769 HydrophobicContact CD1-CD2 3.58Å; L762-F769 HydrophobicContact CD1-CE2 4.28Å; L762-F769 HydrophobicContact CD1-CG 3.5Å; L762-F769 VanDerWaalsContact CD1-CG 3.5Å
763	S	87.3	Confident	85.8	Confident	29 Å²	29	28.1 Å²	28.1	20%	0.203	17%	0.165	C	C	.	.	H	α-helix	trans	-62.6	-33.6	175.9	-59.9	0	0	0	0	112.5	K759 F765 G766 E767	K759-S763 VanDerWaalsContact O-CB 3.3Å; K759-S763 WeakPolarHBondContact O-CB 3.47Å; K759-S763 PolarHBondContact O-N 2.93Å; K759-S763 PolarHBondContact O-OG 3.12Å; S763-F765 VanDerWaalsContact C-N 3.34Å; S763-F765 PolarHBondContact O-N 3.5Å; S763-G766 WeakPolarHBondContact O-CA 3.31Å; S763-G766 PolarHBondContact O-N 2.66Å; S763-E767 WeakPolarHBondContact CA-O 3.45Å; S763-E767 PolarHBondContact N-O 2.88Å
764	H	86.5	Confident	86	Confident	34 Å²	34	25.3 Å²	25.3	16%	0.157	15%	0.152	C	C	.	.	H	α-helix	trans	-64.7	-34.2	172.7	160.9	-78.4	0	0	0	113	I688 E689 R745 Q760 I761 L762 G766	I688-H764 HydrophobicContact CD1-CB 4.45Å; I688-H764 HydrophobicContact CG2-CB 4.44Å; E689-H764 VanDerWaalsContact CD-NE2 3.26Å; E689-H764 IonicContact OE1-CE1 2.93Å; E689-H764 PolarHBondContact OE1-CE1 2.74Å; E689-H764 VanDerWaalsContact OE1-CE1 3.23Å; E689-H764 IonicContact OE1-NE2 2.69Å; E689-H764 PolarHBondContact OE1-NE2 3.11Å; E689-H764 IonicContact OE2-CE1 3.77Å; E689-H764 IonicContact OE2-NE2 3.16Å; R745-H764 PolarHBondContact NH1-NE2 2.93Å; Q760-H764 PolarHBondContact O-N 3.32Å; I761-H764 PolarHBondContact O-N 2.99Å; L762-H764 VanDerWaalsContact C-N 3.28Å; L762-H764 PolarHBondContact O-N 3.07Å; H764-G766 PolarHBondContact O-N 3.2Å
765	F	85	Confident	86.2	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	4.5	169	-65.1	-64.1	0	0	0	113.9	T550 T552 R556 F575 Y692 I761 L762 S763	T550-F765 HydrophobicContact CG2-CE1 3.98Å; T550-F765 HydrophobicContact CG2-CZ 3.88Å; T550-F765 WeakPolarHBondContact O-CE1 3.48Å; T552-F765 HydrophobicContact CG2-CD1 4.13Å; T552-F765 HydrophobicContact CG2-CE1 4.47Å; R556-F765 PolarHBondContact NH2-O 2.97Å; F575-F765 HydrophobicContact CB-CD2 4.45Å; F575-F765 HydrophobicContact CD1-CD2 4.43Å; F575-F765 HydrophobicContact CD1-CG 4.35Å; F575-F765 HydrophobicContact CD2-CB 3.76Å; F575-F765 HydrophobicContact CD2-CG 4.37Å; F575-F765 HydrophobicContact CE1-CB 4.5Å; F575-F765 HydrophobicContact CE1-CD1 4.47Å; F575-F765 HydrophobicContact CE1-CG 4.4Å; F575-F765 HydrophobicContact CE2-CB 3.72Å; F575-F765 HydrophobicContact CE2-CG 4.44Å; F575-F765 HydrophobicContact CG-CB 4.2Å; F575-F765 HydrophobicContact CG-CD2 4.31Å; F575-F765 HydrophobicContact CG-CG 4.33Å; F575-F765 HydrophobicContact CZ-CB 4.09Å; F575-F765 HydrophobicContact CZ-CG 4.44Å; Y692-F765 AromaticContact CD1-CE2 3.94Å; Y692-F765 HydrophobicContact CD1-CE2 3.94Å; Y692-F765 AromaticContact CD1-CZ 3.93Å; Y692-F765 HydrophobicContact CD1-CZ 3.93Å; Y692-F765 AromaticContact CD2-CE2 3.99Å; Y692-F765 HydrophobicContact CD2-CE2 3.99Å; Y692-F765 HydrophobicContact CE1-CE2 4.45Å; Y692-F765 HydrophobicContact CE2-CE2 4.47Å; Y692-F765 AromaticContact CG-CE2 3.69Å; Y692-F765 HydrophobicContact CG-CE2 3.69Å; Y692-F765 AromaticContact CG-CZ 3.96Å; Y692-F765 HydrophobicContact CG-CZ 3.96Å; I761-F765 HydrophobicContact CG2-CD2 4.22Å; I761-F765 HydrophobicContact CG2-CE2 3.98Å; I761-F765 VanDerWaalsContact O-CD2 3.26Å; I761-F765 WeakPolarHBondContact O-CD2 3.48Å; I761-F765 PolarHBondContact O-N 2.82Å; L762-F765 CarbonylContact O-C 3.54Å; L762-F765 WeakPolarHBondContact O-CA 3.42Å; L762-F765 PolarHBondContact O-N 2.88Å; S763-F765 VanDerWaalsContact C-N 3.34Å; S763-F765 PolarHBondContact O-N 3.5Å
766	G	79.9	Confident	86.2	Confident	10 Å²	10	27.4 Å²	27.4	10%	0.103	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	12.8	178.5	0	0	0	0	0	115.3	F331 L762 S763 H764	F331-G766 WeakPolarHBondContact CZ-O 3.41Å; L762-G766 PolarHBondContact O-N 3.48Å; L762-G766 VanDerWaalsContact O-N 3.13Å; S763-G766 WeakPolarHBondContact O-CA 3.31Å; S763-G766 PolarHBondContact O-N 2.66Å; H764-G766 PolarHBondContact O-N 3.2Å
767	E	83.7	Confident	85.8	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.184	C	C	.	.			trans	-99	121.7	178.2	-179.4	-176.6	152.5	0	0	110.5	F331 S574 F575 L762 S763	F331-E767 HydrophobicContact CD2-CB 4.11Å; F331-E767 HydrophobicContact CD2-CG 4.1Å; F331-E767 HydrophobicContact CE2-CB 3.8Å; F331-E767 HydrophobicContact CE2-CG 4.31Å; S574-E767 VanDerWaalsContact CA-OE2 3.29Å; S574-E767 WeakPolarHBondContact CA-OE2 3.45Å; S574-E767 VanDerWaalsContact CB-OE1 3.31Å; S574-E767 WeakPolarHBondContact CB-OE1 3.47Å; S574-E767 VanDerWaalsContact OG-CD 3.31Å; S574-E767 PolarHBondContact OG-OE1 2.91Å; S574-E767 PolarHBondContact OG-OE2 3.16Å; F575-E767 WeakPolarHBondContact CD2-OE2 3.2Å; F575-E767 PolarHBondContact N-OE2 3.36Å; L762-E767 CarbonylContact C-O 3.57Å; L762-E767 HydrophobicContact CB-CB 4.15Å; L762-E767 HydrophobicContact CB-CG 4.41Å; L762-E767 PolarHBondContact O-N 3.24Å; S763-E767 WeakPolarHBondContact CA-O 3.45Å; S763-E767 PolarHBondContact N-O 2.88Å
768	A	80	Confident	85.1	Confident	21 Å²	21	33.3 Å²	33.3	17%	0.174	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-77.7	128.3	172	0	0	0	0	0	110.8	L332 L334	L332-A768 HydrophobicContact CB-CB 3.95Å; L332-A768 VanDerWaalsContact O-CB 3.29Å; L332-A768 WeakPolarHBondContact O-CB 3.35Å; L332-A768 PolarHBondContact O-N 2.84Å; L334-A768 HydrophobicContact CD2-CB 4.06Å
769	F	84.9	Confident	84.4	Confident	9 Å²	9	35.9 Å²	35.9	4%	0.039	24%	0.242	C	C	.	.			trans	-133.1	131.7	-178.3	177.9	-95.4	0	0	0	110.7	R758 K759 L762 S771 T773 C774	R758-F769 HydrophobicContact CB-CD1 4.03Å; R758-F769 HydrophobicContact CB-CE1 3.7Å; R758-F769 HydrophobicContact CB-CZ 4.23Å; K759-F769 HydrophobicContact CB-CD1 4.27Å; L762-F769 HydrophobicContact CB-CB 4.19Å; L762-F769 HydrophobicContact CD1-CB 3.59Å; L762-F769 HydrophobicContact CD1-CD1 4.14Å; L762-F769 HydrophobicContact CD1-CD2 3.58Å; L762-F769 HydrophobicContact CD1-CE2 4.28Å; L762-F769 HydrophobicContact CD1-CG 3.5Å; L762-F769 VanDerWaalsContact CD1-CG 3.5Å; F769-S771 PolarHBondContact O-N 2.77Å; F769-T773 HydrophobicContact CE2-CG2 3.94Å; F769-T773 HydrophobicContact CZ-CG2 4.04Å; F769-C774 HydrophobicContact CE1-CB 4.35Å
770	D	84.9	Confident	84.3	Confident	93 Å²	93	33.5 Å²	33.5	50%	0.497	23%	0.232	S	C	.	.			trans	-76.4	124.6	174.7	-174.7	2.7	0	0	0	111	A772 T773	D770-A772 PolarHBondContact O-N 2.83Å; D770-A772 VanDerWaalsContact O-N 3.17Å; D770-A772 PolarHBondContact OD1-N 2.75Å; D770-A772 WeakPolarHBondContact OD2-CB 3.33Å; D770-T773 WeakPolarHBondContact O-CB 3.45Å; D770-T773 PolarHBondContact O-N 2.76Å; D770-T773 VanDerWaalsContact O-N 3.1Å
771	S	81.9	Confident	84.4	Confident	57 Å²	57	34.3 Å²	34.3	40%	0.399	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.5	-34.6	166.5	31.4	0	0	0	0	114.6	F769 T773 C774	F769-S771 PolarHBondContact O-N 2.77Å; S771-T773 VanDerWaalsContact C-N 3.34Å; S771-T773 PolarHBondContact O-N 2.95Å; S771-C774 WeakPolarHBondContact O-CB 3.43Å; S771-C774 PolarHBondContact O-N 3.06Å; S771-C774 VanDerWaalsContact O-N 3.09Å
772	A	82.6	Confident	84.4	Confident	63 Å²	63	34.1 Å²	34.1	52%	0.521	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-35.4	179.4	0	0	0	0	0	112.6	D770 C774 G775	D770-A772 PolarHBondContact O-N 2.83Å; D770-A772 VanDerWaalsContact O-N 3.17Å; D770-A772 PolarHBondContact OD1-N 2.75Å; D770-A772 WeakPolarHBondContact OD2-CB 3.33Å; A772-C774 PolarHBondContact O-N 3.35Å; A772-G775 WeakPolarHBondContact O-CA 3.37Å; A772-G775 PolarHBondContact O-N 3.09Å
773	T	85.9	Confident	84.6	Confident	34 Å²	34	34.8 Å²	34.8	21%	0.209	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-13.1	173.9	-47.9	0	0	0	0	112.5	F769 D770 S771 G775 T776 I777	F769-T773 HydrophobicContact CE2-CG2 3.94Å; F769-T773 HydrophobicContact CZ-CG2 4.04Å; D770-T773 WeakPolarHBondContact O-CB 3.45Å; D770-T773 PolarHBondContact O-N 2.76Å; D770-T773 VanDerWaalsContact O-N 3.1Å; S771-T773 VanDerWaalsContact C-N 3.34Å; S771-T773 PolarHBondContact O-N 2.95Å; T773-G775 VanDerWaalsContact C-N 3.26Å; T773-T776 PolarHBondContact O-OG1 3.08Å; T773-I777 WeakPolarHBondContact O-CD1 3.23Å; T773-I777 WeakPolarHBondContact O-CG1 3.47Å
774	C	86.3	Confident	84.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-70	-27.4	166.9	-163.5	0	0	0	0	112.2	C756 R758 F769 S771 A772 L781	C756-C774 WeakPolarHBondContact SG-CB 3.29Å; C756-C774 PolarHBondContact SG-SG 3.36Å; R758-C774 PolarHBondContact NH1-SG 3.31Å; F769-C774 HydrophobicContact CE1-CB 4.35Å; S771-C774 WeakPolarHBondContact O-CB 3.43Å; S771-C774 PolarHBondContact O-N 3.06Å; S771-C774 VanDerWaalsContact O-N 3.09Å; A772-C774 PolarHBondContact O-N 3.35Å; C774-L781 HydrophobicContact CB-CD1 4.48Å; C774-L781 WeakPolarHBondContact O-CD1 3.5Å
775	G	80.2	Confident	84.8	Confident	57 Å²	57	33 Å²	33	59%	0.588	23%	0.23	S	C	*	.	H	α-helix	trans	-80.1	-23.6	-178.4	0	0	0	0	0	115	A772 T773 I777	A772-G775 WeakPolarHBondContact O-CA 3.37Å; A772-G775 PolarHBondContact O-N 3.09Å; T773-G775 VanDerWaalsContact C-N 3.26Å; G775-I777 VanDerWaalsContact C-N 3.34Å
776	T	82.7	Confident	84.9	Confident	69 Å²	69	34.6 Å²	34.6	42%	0.423	24%	0.237	S	C	.	.	H	α-helix	trans	-74.3	-26	175.9	55	0	0	0	0	112.3	E327 T773 V778	E327-T776 VanDerWaalsContact OE2-CB 3.23Å; E327-T776 WeakPolarHBondContact OE2-CB 3.23Å; E327-T776 PolarHBondContact OE2-OG1 3.36Å; T773-T776 PolarHBondContact O-OG1 3.08Å; T776-V778 PolarHBondContact O-N 3.1Å
777	I	81.8	Confident	85	Confident	25 Å²	25	36.3 Å²	36.3	13%	0.128	24%	0.244	C	C	.	.	S	Bend	trans	-76.9	93.8	-174.5	-52.6	167	0	0	0	111.1	A578 T773 G775 G779 C780	A578-I777 HydrophobicContact CB-CD1 4.15Å; A578-I777 HydrophobicContact CB-CG2 4.39Å; A578-I777 WeakPolarHBondContact O-CG2 3.41Å; T773-I777 WeakPolarHBondContact O-CD1 3.23Å; T773-I777 WeakPolarHBondContact O-CG1 3.47Å; G775-I777 VanDerWaalsContact C-N 3.34Å; I777-G779 PolarHBondContact O-N 3.46Å; I777-C780 HydrophobicContact CG2-CB 3.77Å; I777-C780 PolarHBondContact O-N 3.02Å
778	V	77.8	Confident	84.5	Confident	105 Å²	105	39.7 Å²	39.7	64%	0.636	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	131.9	177.8	-176	0	0	0	0	111.5	T776 C780 F1072	T776-V778 PolarHBondContact O-N 3.1Å; V778-C780 PolarHBondContact O-N 2.95Å; V778-F1072 HydrophobicContact CG1-CD2 4.01Å; V778-F1072 HydrophobicContact CG1-CE2 3.69Å
779	G	79.2	Confident	83.7	Confident	57 Å²	57	45.2 Å²	45.2	59%	0.588	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	-23.9	177.2	0	0	0	0	0	116.5	I777	I777-G779 PolarHBondContact O-N 3.46Å
780	C	88.5	Confident	82.6	Confident	4 Å²	4	52.9 Å²	52.9	3%	0.027	32%	0.323	C	S	.	.			trans	-110.3	14.1	-169.2	-49.5	0	0	0	0	114.8	A578 R581 R758 I777 V778 C782	A578-C780 WeakPolarHBondContact O-CB 3.36Å; R581-C780 HydrophobicContact CB-CB 4.48Å; R758-C780 PolarHBondContact NH1-O 3.26Å; R758-C780 PolarHBondContact NH2-O 2.97Å; I777-C780 HydrophobicContact CG2-CB 3.77Å; I777-C780 PolarHBondContact O-N 3.02Å; V778-C780 PolarHBondContact O-N 2.95Å; C780-C782 PolarHBondContact O-N 3.41Å
781	L	91	Very high	81.6	Confident	47 Å²	47	52.8 Å²	52.8	25%	0.246	32%	0.316	C	S	.	.			trans	-51	127.6	173	-172.4	62	0	0	0	111.4	C774 C785 Q786	C774-L781 HydrophobicContact CB-CD1 4.48Å; C774-L781 WeakPolarHBondContact O-CD1 3.5Å; L781-C785 HydrophobicContact CD1-CB 3.44Å; L781-C785 VanDerWaalsContact CD1-CB 3.44Å; L781-C785 HydrophobicContact CG-CB 4.05Å; L781-Q786 HydrophobicContact CB-CG 4.14Å; L781-Q786 HydrophobicContact CD2-CG 3.83Å; L781-Q786 HydrophobicContact CG-CG 3.77Å; L781-Q786 PolarHBondContact O-NE2 2.98Å
782	C	93.5	Very high	80.5	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.329	C	S	.	.			trans	-75.8	156.1	-178.2	67.4	0	0	0	0	112.8	F582 R757 C780 N784 C785 Q786	F582-C782 HydrophobicContact CB-CB 4.35Å; F582-C782 WeakPolarHBondContact O-CA 3.34Å; F582-C782 WeakPolarHBondContact O-CB 3.25Å; R757-C782 HydrophobicContact CB-CB 3.8Å; R757-C782 HydrophobicContact CG-CB 3.76Å; R757-C782 PolarHBondContact N-SG 2.91Å; R757-C782 VanDerWaalsContact N-SG 3.4Å; C780-C782 PolarHBondContact O-N 3.41Å; C782-N784 PolarHBondContact O-N 3.02Å; C782-C785 CarbonylContact O-C 3.58Å; C782-C785 PolarHBondContact O-N 2.8Å; C782-Q786 WeakPolarHBondContact O-CG 3.41Å; C782-Q786 PolarHBondContact O-N 2.93Å
783	D	92.6	Very high	79.7	Confident	17 Å²	17	57.6 Å²	57.6	9%	0.091	31%	0.314	C	S	.	.	H	α-helix	trans	-43.2	-50.8	-178.9	62.7	-17.6	0	0	0	115.3	F582 E583 V584 R757 C785 Q786 L787	F582-D783 PolarHBondContact O-N 3.44Å; F582-D783 VanDerWaalsContact O-N 3.11Å; E583-D783 HydrophobicContact CB-CB 4.21Å; E583-D783 HydrophobicContact CG-CB 4.19Å; V584-D783 PolarHBondContact N-OD2 3.04Å; R757-D783 WeakPolarHBondContact CD-OD1 3.49Å; R757-D783 WeakPolarHBondContact CG-OD1 3.25Å; R757-D783 IonicContact CZ-OD1 3.65Å; R757-D783 IonicContact CZ-OD2 2.8Å; R757-D783 IonicContact NE-OD1 3.93Å; R757-D783 PolarHBondContact NE-OD1 3.32Å; R757-D783 IonicContact NE-OD2 3.23Å; R757-D783 PolarHBondContact NE-OD2 3.25Å; R757-D783 IonicContact NH2-OD1 3.13Å; R757-D783 IonicContact NH2-OD2 3.02Å; R757-D783 PolarHBondContact NH2-OD2 2.94Å; D783-C785 PolarHBondContact O-N 3.32Å; D783-Q786 CarbonylContact O-C 3.58Å; D783-Q786 WeakPolarHBondContact O-CA 3.3Å; D783-Q786 WeakPolarHBondContact O-CB 3.31Å; D783-Q786 PolarHBondContact O-N 3.26Å; D783-L787 VanDerWaalsContact O-CG 3.32Å; D783-L787 WeakPolarHBondContact O-CG 3.5Å; D783-L787 PolarHBondContact O-N 2.92Å; D783-L787 VanDerWaalsContact O-N 3.1Å
784	N	90.1	Very high	78.8	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-41.6	-178.3	-72.1	-2.6	0	0	0	111.8	N752 Q753 D755 R757 C782 Q786 L787 S788	N752-N784 PolarHBondContact O-ND2 2.91Å; Q753-N784 WeakPolarHBondContact CA-OD1 3.47Å; D755-N784 PolarHBondContact O-ND2 3.38Å; R757-N784 PolarHBondContact NH2-OD1 2.79Å; R757-N784 VanDerWaalsContact NH2-OD1 3.07Å; C782-N784 PolarHBondContact O-N 3.02Å; N784-Q786 VanDerWaalsContact C-N 3.31Å; N784-Q786 PolarHBondContact O-N 2.88Å; N784-L787 PolarHBondContact O-N 3.13Å; N784-L787 VanDerWaalsContact O-N 3.08Å; N784-S788 PolarHBondContact O-N 3.2Å
785	C	88.8	Confident	78.1	Confident	21 Å²	21	64.6 Å²	64.6	14%	0.142	35%	0.345	C	S	.	.	H	α-helix	trans	-76.3	-13.5	174.6	-57.8	0	0	0	0	113.5	C756 L781 C782 D783 L787 S788	C756-C785 VanDerWaalsContact CB-SG 3.58Å; L781-C785 HydrophobicContact CD1-CB 3.44Å; L781-C785 VanDerWaalsContact CD1-CB 3.44Å; L781-C785 HydrophobicContact CG-CB 4.05Å; C782-C785 CarbonylContact O-C 3.58Å; C782-C785 PolarHBondContact O-N 2.8Å; D783-C785 PolarHBondContact O-N 3.32Å; C785-L787 VanDerWaalsContact C-N 3.32Å; C785-S788 PolarHBondContact O-OG 2.97Å; C785-S788 VanDerWaalsContact O-OG 3.11Å
786	Q	87.2	Confident	78.3	Confident	33 Å²	33	66.6 Å²	66.6	15%	0.154	33%	0.334	C	S	.	.	H	α-helix	trans	-82.9	-12	165.8	-64.1	-174.5	42	0	0	112.5	L781 C782 D783 N784	L781-Q786 HydrophobicContact CB-CG 4.14Å; L781-Q786 HydrophobicContact CD2-CG 3.83Å; L781-Q786 HydrophobicContact CG-CG 3.77Å; L781-Q786 PolarHBondContact O-NE2 2.98Å; C782-Q786 WeakPolarHBondContact O-CG 3.41Å; C782-Q786 PolarHBondContact O-N 2.93Å; D783-Q786 CarbonylContact O-C 3.58Å; D783-Q786 WeakPolarHBondContact O-CA 3.3Å; D783-Q786 WeakPolarHBondContact O-CB 3.31Å; D783-Q786 PolarHBondContact O-N 3.26Å; N784-Q786 VanDerWaalsContact C-N 3.31Å; N784-Q786 PolarHBondContact O-N 2.88Å
787	L	80.9	Confident	78.6	Confident	47 Å²	47	67.3 Å²	67.3	25%	0.246	34%	0.336	C	S	.	.	H	α-helix	trans	-106.1	-21.9	-177	-71.3	172.5	0	0	0	113.3	D783 N784 C785 D789 R790 R791	D783-L787 VanDerWaalsContact O-CG 3.32Å; D783-L787 WeakPolarHBondContact O-CG 3.5Å; D783-L787 PolarHBondContact O-N 2.92Å; D783-L787 VanDerWaalsContact O-N 3.1Å; N784-L787 PolarHBondContact O-N 3.13Å; N784-L787 VanDerWaalsContact O-N 3.08Å; C785-L787 VanDerWaalsContact C-N 3.32Å; L787-D789 VanDerWaalsContact C-N 3.27Å; L787-D789 PolarHBondContact O-N 3.28Å; L787-R790 CarbonylContact O-C 3Å; L787-R790 PolarHBondContact O-N 3.14Å; L787-R791 PolarHBondContact O-N 3Å
788	S	72.9	Confident	78.9	Confident	70 Å²	70	66.2 Å²	66.2	49%	0.49	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-49.2	-46.8	176.5	45.5	0	0	0	0	112.7	N784 C785 R790	N784-S788 PolarHBondContact O-N 3.2Å; C785-S788 PolarHBondContact O-OG 2.97Å; C785-S788 VanDerWaalsContact O-OG 3.11Å; S788-R790 PolarHBondContact O-N 2.93Å; S788-R790 VanDerWaalsContact O-N 3.13Å
789	D	65	Low	79.6	Confident	138 Å²	138	62 Å²	62	74%	0.738	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-69.7	-14.3	-176.3	-46.4	-8.1	0	0	0	112.4	L787	L787-D789 VanDerWaalsContact C-N 3.27Å; L787-D789 PolarHBondContact O-N 3.28Å
790	R	61.5	Low	80.2	Confident	169 Å²	169	65.9 Å²	65.9	64%	0.638	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-120	-9	-170.3	-62.9	-178.1	174.7	-155	-6.1	113.8	L787 S788	L787-R790 CarbonylContact O-C 3Å; L787-R790 PolarHBondContact O-N 3.14Å; S788-R790 PolarHBondContact O-N 2.93Å; S788-R790 VanDerWaalsContact O-N 3.13Å
791	R	62.6	Low	80.3	Confident	92 Å²	92	66.4 Å²	66.4	35%	0.347	31%	0.31	S	S	.	.			trans	-140.9	114.4	-176	-66.2	-174.9	178.5	179.4	0.7	111	L787 L793	L787-R791 PolarHBondContact O-N 3Å; R791-L793 PolarHBondContact O-N 2.58Å
792	R	60.6	Low	80.4	Confident	179 Å²	179	64.1 Å²	64.1	68%	0.675	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	112.5	158.8	-171.2	169.7	178.2	146.1	-1.4	107.6	I909	R792-I909 PolarHBondContact O-N 3.29Å
793	L	63.9	Low	80.4	Confident	41 Å²	41	65.7 Å²	65.7	22%	0.215	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.2	173.8	-78.3	148	0	0	0	108.1	Q753 I754 R791	Q753-L793 WeakPolarHBondContact O-CD1 3.42Å; I754-L793 HydrophobicContact CD1-CB 4.45Å; I754-L793 HydrophobicContact CG1-CB 4.05Å; I754-L793 HydrophobicContact CG1-CD1 3.73Å; I754-L793 HydrophobicContact CG1-CG 4.32Å; R791-L793 PolarHBondContact O-N 2.58Å
794	E	67.6	Low	80.4	Confident	103 Å²	103	67.7 Å²	67.7	48%	0.481	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.3	177.8	-166.6	168.8	134.7	0	0	109.8	R796 V907 I909	E794-R796 PolarHBondContact O-N 3.11Å; E794-V907 PolarHBondContact N-O 3.09Å; E794-V907 PolarHBondContact O-N 3.1Å; E794-I909 HydrophobicContact CB-CD1 3.8Å; E794-I909 HydrophobicContact CB-CG1 4.38Å; E794-I909 VanDerWaalsContact OE2-CD1 3.26Å; E794-I909 WeakPolarHBondContact OE2-CD1 3.31Å
795	H	72.8	Confident	80.6	Confident	79 Å²	79	67.6 Å²	67.6	37%	0.366	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	91	173.7	-75.1	-111.4	0	0	0	108.9	W340 I754 D797	W340-H795 AromaticContact CE2-CE1 3.63Å; W340-H795 AromaticContact CZ2-CE1 3.3Å; W340-H795 WeakPolarHBondContact CZ2-CE1 3.25Å; W340-H795 AromaticContact CZ2-ND1 3.63Å; W340-H795 AromaticContact NE1-CE1 3.61Å; I754-H795 WeakPolarHBondContact CD1-NE2 3.33Å; H795-D797 PolarHBondContact O-N 3.26Å
796	R	82.7	Confident	80.8	Confident	98 Å²	98	66.6 Å²	66.6	37%	0.37	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	126.1	171.3	-177.6	176.5	170.8	-177.6	-5.5	108.6	E794 V798 D801 Y853 T904 L905 V907	E794-R796 PolarHBondContact O-N 3.11Å; R796-V798 HydrophobicContact CB-CG1 4.3Å; R796-V798 HydrophobicContact CG-CG1 3.84Å; R796-V798 PolarHBondContact O-N 3.39Å; R796-D801 IonicContact NH2-OD2 3.77Å; R796-Y853 PolarHBondContact NH2-OH 3.05Å; R796-T904 CarbonylContact O-C 3.42Å; R796-T904 VanDerWaalsContact O-CA 3.27Å; R796-T904 WeakPolarHBondContact O-CA 3.49Å; R796-L905 PolarHBondContact N-O 2.8Å; R796-L905 PolarHBondContact O-N 3.39Å; R796-V907 HydrophobicContact CB-CG2 4.24Å
797	D	88.9	Confident	81.1	Confident	85 Å²	85	71.4 Å²	71.4	46%	0.455	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	127.5	164.4	-162.4	-38.6	0	0	0	108.3	H795 T799	H795-D797 PolarHBondContact O-N 3.26Å; D797-T799 WeakPolarHBondContact OD1-CB 3.43Å; D797-T799 PolarHBondContact OD1-N 2.86Å; D797-T799 PolarHBondContact OD1-OG1 3.18Å
798	V	89.9	Confident	81.6	Confident	2 Å²	2	69.3 Å²	69.3	1%	0.012	31%	0.313	C	S	.	.			trans	-128.8	17.1	-176.8	-60	0	0	0	0	111	R796 E800 D801 A802 Y853 L861 I903 L905	R796-V798 HydrophobicContact CB-CG1 4.3Å; R796-V798 HydrophobicContact CG-CG1 3.84Å; R796-V798 PolarHBondContact O-N 3.39Å; V798-E800 VanDerWaalsContact C-N 3.31Å; V798-E800 PolarHBondContact O-N 3.14Å; V798-D801 PolarHBondContact O-N 3.31Å; V798-D801 VanDerWaalsContact O-N 3.16Å; V798-A802 WeakPolarHBondContact O-CB 3.41Å; V798-A802 PolarHBondContact O-N 3.01Å; V798-Y853 HydrophobicContact CG1-CE1 4.25Å; V798-Y853 VanDerWaalsContact CG1-OH 3.24Å; V798-Y853 WeakPolarHBondContact CG1-OH 3.17Å; V798-L861 HydrophobicContact CB-CD1 4.38Å; V798-L861 HydrophobicContact CG2-CD1 3.68Å; V798-I903 HydrophobicContact CG2-CB 4.01Å; V798-I903 HydrophobicContact CG2-CG2 3.7Å; V798-I903 WeakPolarHBondContact CG2-O 3.46Å; V798-I903 PolarHBondContact N-O 3.37Å; V798-L905 HydrophobicContact CG1-CB 4.05Å; V798-L905 HydrophobicContact CG2-CB 4.01Å
799	T	91.5	Very high	82.5	Confident	16 Å²	16	66.2 Å²	66.2	10%	0.098	29%	0.291	C	S	.	.	H	α-helix	trans	-57.8	-41.4	-177.8	-53.2	0	0	0	0	111.7	D797 A802 I803 L896 K902 I903	D797-T799 WeakPolarHBondContact OD1-CB 3.43Å; D797-T799 PolarHBondContact OD1-N 2.86Å; D797-T799 PolarHBondContact OD1-OG1 3.18Å; T799-A802 PolarHBondContact O-N 3.02Å; T799-I803 HydrophobicContact CG2-CD1 4.11Å; T799-I803 VanDerWaalsContact O-CG1 3.31Å; T799-I803 WeakPolarHBondContact O-CG1 3.47Å; T799-I803 PolarHBondContact O-N 3.43Å; T799-L896 HydrophobicContact CG2-CD1 3.67Å; T799-K902 WeakPolarHBondContact OG1-CA 3.17Å; T799-I903 PolarHBondContact N-O 3.06Å; T799-I903 PolarHBondContact OG1-N 3.4Å; T799-I903 PolarHBondContact OG1-O 3.01Å
800	E	91.6	Very high	83.8	Confident	138 Å²	138	62 Å²	62	65%	0.645	27%	0.267	S	S	*	.	H	α-helix	trans	-62.6	-44.6	175.9	-68.7	-171.9	-168.1	0	0	113.1	V798 A802 I803 K804	V798-E800 VanDerWaalsContact C-N 3.31Å; V798-E800 PolarHBondContact O-N 3.14Å; E800-A802 VanDerWaalsContact C-N 3.32Å; E800-I803 PolarHBondContact O-N 3.14Å; E800-K804 VanDerWaalsContact O-CG 3.27Å; E800-K804 WeakPolarHBondContact O-CG 3.47Å; E800-K804 PolarHBondContact O-N 3Å; E800-K804 IonicContact OE2-NZ 3.08Å
801	D	91.9	Very high	85.2	Confident	15 Å²	15	57.9 Å²	57.9	8%	0.08	26%	0.257	C	S	.	.	H	α-helix	trans	-66.9	-39.3	-179.7	-68.4	-18.8	0	0	0	110.2	R796 V798 I803 K804 I805 F828 Y853 L861	R796-D801 IonicContact NH2-OD2 3.77Å; V798-D801 PolarHBondContact O-N 3.31Å; V798-D801 VanDerWaalsContact O-N 3.16Å; D801-I803 PolarHBondContact O-N 2.96Å; D801-K804 PolarHBondContact O-N 2.68Å; D801-K804 IonicContact OD1-NZ 2.68Å; D801-K804 PolarHBondContact OD1-NZ 2.88Å; D801-I805 WeakPolarHBondContact O-CB 3.39Å; D801-I805 WeakPolarHBondContact O-CD1 3.4Å; D801-I805 WeakPolarHBondContact O-CG1 3.4Å; D801-I805 PolarHBondContact O-N 3.38Å; D801-F828 HydrophobicContact CB-CE2 4.31Å; D801-F828 HydrophobicContact CB-CZ 4.06Å; D801-Y853 WeakPolarHBondContact OD2-CE2 3.43Å; D801-Y853 PolarHBondContact OD2-OH 3.2Å; D801-L861 HydrophobicContact CB-CD2 4.43Å
802	A	92.8	Very high	86.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-42.8	171.4	0	0	0	0	0	112.7	V798 T799 E800 I805 V806 L865 L896 I903	V798-A802 WeakPolarHBondContact O-CB 3.41Å; V798-A802 PolarHBondContact O-N 3.01Å; T799-A802 PolarHBondContact O-N 3.02Å; E800-A802 VanDerWaalsContact C-N 3.32Å; A802-I805 PolarHBondContact O-N 3.3Å; A802-V806 WeakPolarHBondContact O-CG2 3.36Å; A802-V806 PolarHBondContact O-N 2.76Å; A802-L865 HydrophobicContact CB-CD1 4.04Å; A802-L865 HydrophobicContact CB-CD2 3.71Å; A802-L865 HydrophobicContact CB-CG 4.48Å; A802-L896 HydrophobicContact CB-CD2 3.73Å; A802-I903 HydrophobicContact CB-CB 4.36Å; A802-I903 HydrophobicContact CB-CG1 3.86Å
803	I	93	Very high	87.9	Confident	33 Å²	33	48 Å²	48	17%	0.169	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-45	175.1	-74.2	165.3	0	0	0	111.1	T799 E800 D801 I805 V806 R807 L896 L897	T799-I803 HydrophobicContact CG2-CD1 4.11Å; T799-I803 VanDerWaalsContact O-CG1 3.31Å; T799-I803 WeakPolarHBondContact O-CG1 3.47Å; T799-I803 PolarHBondContact O-N 3.43Å; E800-I803 PolarHBondContact O-N 3.14Å; D801-I803 PolarHBondContact O-N 2.96Å; I803-I805 VanDerWaalsContact C-N 3.34Å; I803-I805 PolarHBondContact O-N 3.15Å; I803-V806 PolarHBondContact O-N 2.68Å; I803-R807 WeakPolarHBondContact O-CG 3.35Å; I803-R807 PolarHBondContact O-N 2.87Å; I803-L896 HydrophobicContact CG1-CD1 4.06Å; I803-L896 HydrophobicContact CG1-CD2 4.36Å; I803-L896 HydrophobicContact CG1-CG 3.85Å; I803-L897 HydrophobicContact CG2-CD2 4.14Å
804	K	92.4	Very high	89	Confident	59 Å²	59	53.8 Å²	53.8	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-61.4	-42	176.5	-62.2	161.1	-154.8	161.6	0	111.3	E800 D801 T808 I846	E800-K804 VanDerWaalsContact O-CG 3.27Å; E800-K804 WeakPolarHBondContact O-CG 3.47Å; E800-K804 PolarHBondContact O-N 3Å; E800-K804 IonicContact OE2-NZ 3.08Å; D801-K804 PolarHBondContact O-N 2.68Å; D801-K804 IonicContact OD1-NZ 2.68Å; D801-K804 PolarHBondContact OD1-NZ 2.88Å; K804-T808 PolarHBondContact O-N 3.37Å; K804-T808 VanDerWaalsContact O-N 3.1Å; K804-T808 PolarHBondContact O-OG1 2.79Å; K804-I846 HydrophobicContact CB-CG2 3.78Å; K804-I846 WeakPolarHBondContact O-CG2 3.09Å
805	I	93.5	Very high	90	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-50	176.2	-70.6	160.4	0	0	0	110.9	D801 A802 I803 R807 T808 V809 F828 L861 L862 L865 L871	D801-I805 WeakPolarHBondContact O-CB 3.39Å; D801-I805 WeakPolarHBondContact O-CD1 3.4Å; D801-I805 WeakPolarHBondContact O-CG1 3.4Å; D801-I805 PolarHBondContact O-N 3.38Å; A802-I805 PolarHBondContact O-N 3.3Å; I803-I805 VanDerWaalsContact C-N 3.34Å; I803-I805 PolarHBondContact O-N 3.15Å; I805-R807 PolarHBondContact O-N 3.28Å; I805-T808 PolarHBondContact O-N 3.19Å; I805-T808 VanDerWaalsContact O-N 3.08Å; I805-V809 PolarHBondContact O-N 3.16Å; I805-F828 HydrophobicContact CD1-CD2 4.32Å; I805-F828 HydrophobicContact CD1-CE1 4.41Å; I805-F828 HydrophobicContact CD1-CE2 4.16Å; I805-F828 HydrophobicContact CD1-CZ 4.21Å; I805-F828 HydrophobicContact CG1-CD2 4.28Å; I805-F828 HydrophobicContact CG1-CE2 4.41Å; I805-L861 HydrophobicContact CD1-CD2 3.85Å; I805-L861 HydrophobicContact CD1-CG 4.29Å; I805-L862 HydrophobicContact CD1-CD2 3.85Å; I805-L862 HydrophobicContact CG2-CD1 3.77Å; I805-L865 HydrophobicContact CB-CD1 4.45Å; I805-L865 HydrophobicContact CG2-CD1 4.05Å; I805-L871 HydrophobicContact CG2-CD1 4.29Å
806	V	93.2	Very high	90.6	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-44.4	179.8	167.8	0	0	0	0	111.7	A802 I803 T808 V809 E810 I870 L871 L889 L896 L897	A802-V806 WeakPolarHBondContact O-CG2 3.36Å; A802-V806 PolarHBondContact O-N 2.76Å; I803-V806 PolarHBondContact O-N 2.68Å; V806-T808 VanDerWaalsContact C-N 3.27Å; V806-T808 PolarHBondContact O-N 3.4Å; V806-V809 PolarHBondContact O-N 3.35Å; V806-E810 PolarHBondContact O-N 3.49Å; V806-I870 HydrophobicContact CG2-CG2 3.73Å; V806-L871 HydrophobicContact CG2-CD2 4.05Å; V806-L889 HydrophobicContact CG1-CD2 3.87Å; V806-L896 HydrophobicContact CG2-CD2 4.01Å; V806-L897 HydrophobicContact CG1-CD1 4.05Å; V806-L897 HydrophobicContact CG1-CD2 4.17Å; V806-L897 HydrophobicContact CG1-CG 4.1Å
807	R	93.2	Very high	90.8	Very high	133 Å²	133	57.5 Å²	57.5	50%	0.502	26%	0.263	S	S	.	.	H	α-helix	trans	-60	-35.8	174.1	-71.5	176.7	-179.2	178.7	1.4	112.5	I803 I805 E810 L811 L897	I803-R807 WeakPolarHBondContact O-CG 3.35Å; I803-R807 PolarHBondContact O-N 2.87Å; I805-R807 PolarHBondContact O-N 3.28Å; R807-E810 WeakPolarHBondContact O-CB 3.5Å; R807-E810 PolarHBondContact O-N 2.96Å; R807-L811 WeakPolarHBondContact O-CG 3.18Å; R807-L811 PolarHBondContact O-N 3.02Å; R807-L811 VanDerWaalsContact O-N 3.1Å; R807-L897 HydrophobicContact CG-CD2 3.92Å
808	T	92.1	Very high	90.8	Very high	4 Å²	4	56.5 Å²	56.5	3%	0.025	26%	0.258	C	S	.	.	H	α-helix	trans	-74.3	-37.9	177.5	-47.5	0	0	0	0	112.1	K804 I805 V806 E810 L811 F812 I846	K804-T808 PolarHBondContact O-N 3.37Å; K804-T808 VanDerWaalsContact O-N 3.1Å; K804-T808 PolarHBondContact O-OG1 2.79Å; I805-T808 PolarHBondContact O-N 3.19Å; I805-T808 VanDerWaalsContact O-N 3.08Å; V806-T808 VanDerWaalsContact C-N 3.27Å; V806-T808 PolarHBondContact O-N 3.4Å; T808-E810 VanDerWaalsContact C-N 3.3Å; T808-E810 PolarHBondContact O-N 3.07Å; T808-L811 PolarHBondContact O-N 3.44Å; T808-F812 HydrophobicContact CG2-CD2 4.14Å; T808-F812 HydrophobicContact CG2-CE2 3.61Å; T808-F812 HydrophobicContact CG2-CZ 3.91Å; T808-F812 WeakPolarHBondContact O-CD2 3.49Å; T808-F812 PolarHBondContact O-N 2.91Å; T808-I846 HydrophobicContact CG2-CD1 3.72Å; T808-I846 HydrophobicContact CG2-CG1 3.83Å; T808-I846 VanDerWaalsContact OG1-CG2 3.26Å; T808-I846 WeakPolarHBondContact OG1-CG2 3.33Å
809	V	92	Very high	90.8	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.024	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-41.9	171.3	173.3	0	0	0	0	110.6	I805 V806 L811 F812 V813 L824 L871 V887 L889	I805-V809 PolarHBondContact O-N 3.16Å; V806-V809 PolarHBondContact O-N 3.35Å; V809-L811 PolarHBondContact O-N 3.28Å; V809-F812 PolarHBondContact O-N 2.89Å; V809-V813 HydrophobicContact CG1-CG2 4.28Å; V809-V813 WeakPolarHBondContact O-CB 3.47Å; V809-V813 WeakPolarHBondContact O-CG2 3.27Å; V809-V813 PolarHBondContact O-N 3.12Å; V809-L824 HydrophobicContact CG2-CD1 3.69Å; V809-L824 HydrophobicContact CG2-CD2 4.26Å; V809-L871 HydrophobicContact CB-CD2 4.17Å; V809-L871 HydrophobicContact CG1-CD2 4.07Å; V809-L871 HydrophobicContact CG2-CD2 4.02Å; V809-V887 HydrophobicContact CG1-CG1 4.14Å; V809-V887 HydrophobicContact CG2-CG1 3.98Å; V809-L889 HydrophobicContact CB-CD2 4.24Å; V809-L889 HydrophobicContact CG1-CD2 3.99Å; V809-L889 HydrophobicContact CG1-CG 4.42Å
810	E	91.4	Very high	90.7	Very high	51 Å²	51	57.8 Å²	57.8	24%	0.238	27%	0.266	C	S	.	.	H	α-helix	trans	-57.9	-45.2	174.5	-173.4	-176	-134.5	0	0	112	V806 R807 T808 V813 R814 L889	V806-E810 PolarHBondContact O-N 3.49Å; R807-E810 WeakPolarHBondContact O-CB 3.5Å; R807-E810 PolarHBondContact O-N 2.96Å; T808-E810 VanDerWaalsContact C-N 3.3Å; T808-E810 PolarHBondContact O-N 3.07Å; E810-V813 PolarHBondContact O-N 3.36Å; E810-R814 WeakPolarHBondContact O-CB 3.32Å; E810-R814 WeakPolarHBondContact O-CG 3.35Å; E810-R814 PolarHBondContact O-N 2.89Å; E810-R814 IonicContact OE1-CZ 3.11Å; E810-R814 IonicContact OE1-NH1 3.64Å; E810-R814 IonicContact OE1-NH2 2.7Å; E810-R814 PolarHBondContact OE1-NH2 2.8Å; E810-R814 IonicContact OE2-CZ 3.94Å; E810-R814 IonicContact OE2-NH1 3.41Å; E810-R814 PolarHBondContact OE2-NH1 3Å; E810-R814 IonicContact OE2-NH2 2.72Å; E810-R814 PolarHBondContact OE2-NH2 2.86Å; E810-L889 HydrophobicContact CB-CD1 3.91Å; E810-L889 HydrophobicContact CB-CD2 4.18Å; E810-L889 HydrophobicContact CG-CD1 3.91Å
811	L	91.6	Very high	90.6	Very high	81 Å²	81	51.6 Å²	51.6	42%	0.424	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-42.4	175.9	-70.7	171.1	0	0	0	112.8	R807 T808 V809 S815	R807-L811 WeakPolarHBondContact O-CG 3.18Å; R807-L811 PolarHBondContact O-N 3.02Å; R807-L811 VanDerWaalsContact O-N 3.1Å; T808-L811 PolarHBondContact O-N 3.44Å; V809-L811 PolarHBondContact O-N 3.28Å; L811-S815 VanDerWaalsContact O-CB 3.31Å; L811-S815 WeakPolarHBondContact O-CB 3.47Å; L811-S815 PolarHBondContact O-N 3.34Å; L811-S815 PolarHBondContact O-OG 3.42Å
812	F	91.3	Very high	90.4	Very high	8 Å²	8	55.4 Å²	55.4	4%	0.035	26%	0.257	C	S	.	.	H	α-helix	trans	-65.6	-40.2	175.5	-67.7	-41.8	0	0	0	112.2	T808 V809 S815 R816 R817 V819 L824 I827	T808-F812 HydrophobicContact CG2-CD2 4.14Å; T808-F812 HydrophobicContact CG2-CE2 3.61Å; T808-F812 HydrophobicContact CG2-CZ 3.91Å; T808-F812 WeakPolarHBondContact O-CD2 3.49Å; T808-F812 PolarHBondContact O-N 2.91Å; V809-F812 PolarHBondContact O-N 2.89Å; F812-S815 CarbonylContact O-C 3.55Å; F812-S815 PolarHBondContact O-N 2.89Å; F812-R816 PolarHBondContact O-N 2.95Å; F812-R817 HydrophobicContact CB-CB 4.38Å; F812-R817 PolarHBondContact O-N 3.41Å; F812-V819 HydrophobicContact CB-CG2 4.25Å; F812-V819 HydrophobicContact CD1-CG2 4.45Å; F812-V819 HydrophobicContact CD2-CB 4.36Å; F812-V819 HydrophobicContact CD2-CG1 4.18Å; F812-V819 HydrophobicContact CD2-CG2 3.91Å; F812-V819 HydrophobicContact CE2-CG1 4.44Å; F812-V819 HydrophobicContact CE2-CG2 4.34Å; F812-V819 HydrophobicContact CG-CG2 3.97Å; F812-L824 HydrophobicContact CD2-CD2 4.1Å; F812-L824 HydrophobicContact CE2-CD2 3.82Å; F812-I827 HydrophobicContact CE2-CD1 4.21Å; F812-I827 HydrophobicContact CZ-CD1 3.89Å
813	V	87.8	Confident	90.3	Very high	55 Å²	55	56.6 Å²	56.6	33%	0.333	26%	0.262	S	S	.	.	H	α-helix	trans	-66	-45.3	176.8	171.1	0	0	0	0	111.3	V809 E810 S815 R816	V809-V813 HydrophobicContact CG1-CG2 4.28Å; V809-V813 WeakPolarHBondContact O-CB 3.47Å; V809-V813 WeakPolarHBondContact O-CG2 3.27Å; V809-V813 PolarHBondContact O-N 3.12Å; E810-V813 PolarHBondContact O-N 3.36Å; V813-S815 PolarHBondContact O-N 3Å; V813-R816 PolarHBondContact O-N 3.36Å
814	R	88.6	Confident	90.2	Very high	163 Å²	163	55.1 Å²	55.1	62%	0.615	26%	0.255	S	S	*	.	H	α-helix	trans	-56.1	-39.8	171.4	-77.1	-178	177.2	122.1	13.9	111.8	E810 R816	E810-R814 WeakPolarHBondContact O-CB 3.32Å; E810-R814 WeakPolarHBondContact O-CG 3.35Å; E810-R814 PolarHBondContact O-N 2.89Å; E810-R814 IonicContact OE1-CZ 3.11Å; E810-R814 IonicContact OE1-NH1 3.64Å; E810-R814 IonicContact OE1-NH2 2.7Å; E810-R814 PolarHBondContact OE1-NH2 2.8Å; E810-R814 IonicContact OE2-CZ 3.94Å; E810-R814 IonicContact OE2-NH1 3.41Å; E810-R814 PolarHBondContact OE2-NH1 3Å; E810-R814 IonicContact OE2-NH2 2.72Å; E810-R814 PolarHBondContact OE2-NH2 2.86Å; R814-R816 PolarHBondContact O-N 2.93Å
815	S	87.7	Confident	90.1	Very high	77 Å²	77	52.3 Å²	52.3	54%	0.538	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	6.1	176.9	-51.7	0	0	0	0	114.5	L811 F812 V813 R817	L811-S815 VanDerWaalsContact O-CB 3.31Å; L811-S815 WeakPolarHBondContact O-CB 3.47Å; L811-S815 PolarHBondContact O-N 3.34Å; L811-S815 PolarHBondContact O-OG 3.42Å; F812-S815 CarbonylContact O-C 3.55Å; F812-S815 PolarHBondContact O-N 2.89Å; V813-S815 PolarHBondContact O-N 3Å; S815-R817 PolarHBondContact O-N 2.97Å; S815-R817 VanDerWaalsContact O-N 3.08Å
816	R	84.9	Confident	90	Very high	206 Å²	206	54 Å²	54	78%	0.777	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	24	-174.3	-57.5	-173.5	178.6	-171.4	0.7	114.6	F812 V813 R814	F812-R816 PolarHBondContact O-N 2.95Å; V813-R816 PolarHBondContact O-N 3.36Å; R814-R816 PolarHBondContact O-N 2.93Å
817	R	87.6	Confident	90	Very high	75 Å²	75	53.9 Å²	53.9	28%	0.283	25%	0.251	S	S	.	.			trans	-87.9	121.8	179.7	-90.3	-178.8	50.1	-179	-10.6	111	F812 S815 D841	F812-R817 HydrophobicContact CB-CB 4.38Å; F812-R817 PolarHBondContact O-N 3.41Å; S815-R817 PolarHBondContact O-N 2.97Å; S815-R817 VanDerWaalsContact O-N 3.08Å; R817-D841 IonicContact CZ-OD1 2.62Å; R817-D841 IonicContact CZ-OD2 2.81Å; R817-D841 IonicContact NH1-OD1 2.71Å; R817-D841 PolarHBondContact NH1-OD1 2.97Å; R817-D841 IonicContact NH1-OD2 3.84Å; R817-D841 VanDerWaalsContact NH2-CG 3.28Å; R817-D841 IonicContact NH2-OD1 3.02Å; R817-D841 PolarHBondContact NH2-OD1 2.92Å; R817-D841 IonicContact NH2-OD2 2.72Å; R817-D841 PolarHBondContact NH2-OD2 3.23Å
818	N	87.9	Confident	89.9	Confident	64 Å²	64	47.6 Å²	47.6	34%	0.342	23%	0.227	S	C	.	.			trans	-78.9	125	171.8	-77.3	-20.3	0	0	0	110.7	Y886 R888	N818-Y886 HydrophobicContact CB-CD1 3.72Å; N818-Y886 HydrophobicContact CB-CD2 4.1Å; N818-Y886 HydrophobicContact CB-CE1 3.72Å; N818-Y886 HydrophobicContact CB-CE2 4.08Å; N818-Y886 HydrophobicContact CB-CG 3.91Å; N818-R888 PolarHBondContact OD1-NH1 2.83Å; N818-R888 PolarHBondContact OD1-NH2 2.8Å
819	V	90.3	Very high	89.9	Confident	7 Å²	7	50.9 Å²	50.9	4%	0.042	24%	0.239	C	C	.	.			trans	-138.3	137.3	-170.4	160.1	0	0	0	0	108.7	F812 Y823 L824 Y886 V887	F812-V819 HydrophobicContact CB-CG2 4.25Å; F812-V819 HydrophobicContact CD1-CG2 4.45Å; F812-V819 HydrophobicContact CD2-CB 4.36Å; F812-V819 HydrophobicContact CD2-CG1 4.18Å; F812-V819 HydrophobicContact CD2-CG2 3.91Å; F812-V819 HydrophobicContact CE2-CG1 4.44Å; F812-V819 HydrophobicContact CE2-CG2 4.34Å; F812-V819 HydrophobicContact CG-CG2 3.97Å; V819-Y823 HydrophobicContact CG1-CD1 4.06Å; V819-Y823 HydrophobicContact CG2-CD1 4.13Å; V819-L824 HydrophobicContact CG1-CD1 4.24Å; V819-L824 HydrophobicContact CG1-CD2 3.63Å; V819-L824 HydrophobicContact CG1-CG 3.56Å; V819-Y886 CarbonylContact O-C 3.42Å; V819-Y886 WeakPolarHBondContact O-CA 3.43Å; V819-V887 PolarHBondContact O-N 2.78Å
820	T	90.5	Very high	89.8	Confident	39 Å²	39	51.8 Å²	51.8	24%	0.239	25%	0.249	C	C	.	.			trans	-102.4	163	-179	66.1	0	0	0	0	111.5	N822 Y823 L824 V884 A885 Y886	T820-N822 VanDerWaalsContact C-N 3.33Å; T820-N822 PolarHBondContact O-N 3.4Å; T820-Y823 WeakPolarHBondContact O-CB 3.44Å; T820-Y823 PolarHBondContact O-N 3.35Å; T820-Y823 VanDerWaalsContact O-N 3.08Å; T820-Y823 PolarHBondContact OG1-N 2.58Å; T820-L824 PolarHBondContact O-N 2.93Å; T820-V884 HydrophobicContact CG2-CG1 3.74Å; T820-A885 WeakPolarHBondContact CG2-O 3.25Å; T820-Y886 HydrophobicContact CG2-CD1 3.86Å; T820-Y886 HydrophobicContact CG2-CE1 3.96Å
821	V	88.1	Confident	89.6	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.042	25%	0.247	C	C	.	.	H	α-helix	trans	-54.8	-47.8	176.3	173.4	0	0	0	0	111.5	Y823 L824 V825 L862 E873 V887	V821-Y823 PolarHBondContact O-N 3.44Å; V821-L824 PolarHBondContact O-N 3.39Å; V821-L824 VanDerWaalsContact O-N 3.13Å; V821-V825 HydrophobicContact CG1-CG2 4.37Å; V821-V825 WeakPolarHBondContact O-CG2 3.49Å; V821-V825 PolarHBondContact O-N 2.93Å; V821-L862 HydrophobicContact CG1-CB 3.75Å; V821-L862 HydrophobicContact CG1-CG 4.31Å; V821-E873 HydrophobicContact CG2-CG 4.4Å; V821-V887 HydrophobicContact CB-CG2 4.37Å; V821-V887 HydrophobicContact CG2-CG2 3.52Å
822	N	88.3	Confident	89.4	Confident	95 Å²	95	54.9 Å²	54.9	51%	0.508	26%	0.263	S	S	.	.	H	α-helix	trans	-56.9	-36.6	178.3	-66.8	-13.3	0	0	0	112.3	T820 D826	T820-N822 VanDerWaalsContact C-N 3.33Å; T820-N822 PolarHBondContact O-N 3.4Å; N822-D826 PolarHBondContact O-N 3.17Å
823	Y	91	Very high	89.1	Confident	26 Å²	26	56.5 Å²	56.5	10%	0.102	27%	0.273	C	S	.	.	H	α-helix	trans	-73.3	-39.4	178.8	-166.4	-113.7	0	0	0	112.4	V819 T820 V821 V825 D826 I827 H835 I836 S839 D841	V819-Y823 HydrophobicContact CG1-CD1 4.06Å; V819-Y823 HydrophobicContact CG2-CD1 4.13Å; T820-Y823 WeakPolarHBondContact O-CB 3.44Å; T820-Y823 PolarHBondContact O-N 3.35Å; T820-Y823 VanDerWaalsContact O-N 3.08Å; T820-Y823 PolarHBondContact OG1-N 2.58Å; V821-Y823 PolarHBondContact O-N 3.44Å; Y823-V825 VanDerWaalsContact C-N 3.34Å; Y823-V825 PolarHBondContact O-N 3.05Å; Y823-D826 PolarHBondContact O-N 3.41Å; Y823-I827 HydrophobicContact CD1-CD1 3.87Å; Y823-I827 HydrophobicContact CE1-CD1 3.5Å; Y823-I827 HydrophobicContact CE1-CG1 4.26Å; Y823-I827 WeakPolarHBondContact O-CG1 3.32Å; Y823-I827 PolarHBondContact O-N 3.47Å; Y823-H835 HydrophobicContact CE2-CB 4.07Å; Y823-H835 AromaticContact CE2-CE1 3.85Å; Y823-H835 AromaticContact CE2-CG 3.75Å; Y823-H835 AromaticContact CE2-ND1 3.11Å; Y823-H835 WeakPolarHBondContact CE2-ND1 3.38Å; Y823-H835 AromaticContact CZ-CE1 3.72Å; Y823-H835 AromaticContact CZ-ND1 3.17Å; Y823-H835 PolarHBondContact OH-ND1 3.42Å; Y823-I836 HydrophobicContact CE2-CD1 4.42Å; Y823-I836 HydrophobicContact CE2-CG1 3.65Å; Y823-I836 WeakPolarHBondContact OH-CA 3.36Å; Y823-S839 PolarHBondContact OH-OG 3.08Å; Y823-D841 WeakPolarHBondContact CE1-OD2 3.43Å; Y823-D841 VanDerWaalsContact CZ-OD2 3.28Å; Y823-D841 PolarHBondContact OH-OD2 3.5Å
824	L	91.7	Very high	88.9	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.01	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-40.5	171.3	-69.2	172.9	0	0	0	112	V809 F812 V819 T820 V821 I827 F828 L862 V887	V809-L824 HydrophobicContact CG2-CD1 3.69Å; V809-L824 HydrophobicContact CG2-CD2 4.26Å; F812-L824 HydrophobicContact CD2-CD2 4.1Å; F812-L824 HydrophobicContact CE2-CD2 3.82Å; V819-L824 HydrophobicContact CG1-CD1 4.24Å; V819-L824 HydrophobicContact CG1-CD2 3.63Å; V819-L824 HydrophobicContact CG1-CG 3.56Å; T820-L824 PolarHBondContact O-N 2.93Å; V821-L824 PolarHBondContact O-N 3.39Å; V821-L824 VanDerWaalsContact O-N 3.13Å; L824-I827 PolarHBondContact O-N 2.88Å; L824-F828 WeakPolarHBondContact O-CB 3.39Å; L824-F828 PolarHBondContact O-N 2.9Å; L824-L862 HydrophobicContact CB-CD1 4.18Å; L824-L862 HydrophobicContact CB-CG 4.48Å; L824-L862 HydrophobicContact CD1-CD1 3.86Å; L824-V887 HydrophobicContact CD1-CB 3.92Å; L824-V887 HydrophobicContact CD1-CG1 3.79Å; L824-V887 HydrophobicContact CD1-CG2 3.94Å
825	V	90.2	Very high	88.7	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-45.5	175.7	166.8	0	0	0	0	111.2	V821 Y823 F828 R829 K855 A858 E859 L862	V821-V825 HydrophobicContact CG1-CG2 4.37Å; V821-V825 WeakPolarHBondContact O-CG2 3.49Å; V821-V825 PolarHBondContact O-N 2.93Å; Y823-V825 VanDerWaalsContact C-N 3.34Å; Y823-V825 PolarHBondContact O-N 3.05Å; V825-F828 PolarHBondContact O-N 3.15Å; V825-R829 HydrophobicContact CG1-CG 4.47Å; V825-R829 WeakPolarHBondContact O-CB 3.29Å; V825-R829 VanDerWaalsContact O-CG 3.29Å; V825-R829 WeakPolarHBondContact O-CG 3.15Å; V825-R829 PolarHBondContact O-N 3.16Å; V825-K855 HydrophobicContact CG1-CG 4.3Å; V825-A858 HydrophobicContact CG1-CB 4.02Å; V825-A858 HydrophobicContact CG2-CB 4.45Å; V825-E859 HydrophobicContact CB-CG 4.49Å; V825-E859 HydrophobicContact CG1-CG 4.04Å; V825-E859 HydrophobicContact CG2-CG 3.91Å; V825-L862 HydrophobicContact CG2-CD2 4.39Å; V825-L862 HydrophobicContact CG2-CG 4.22Å
826	D	90.9	Very high	88.4	Confident	35 Å²	35	51.7 Å²	51.7	19%	0.187	26%	0.255	C	S	.	.	H	α-helix	trans	-67.9	-37	-180	-75.3	-11.9	0	0	0	111.6	N822 Y823 G830 A831 T833 I836 K855	N822-D826 PolarHBondContact O-N 3.17Å; Y823-D826 PolarHBondContact O-N 3.41Å; D826-G830 PolarHBondContact O-N 2.71Å; D826-A831 HydrophobicContact CB-CB 3.95Å; D826-A831 WeakPolarHBondContact O-CB 3.34Å; D826-A831 PolarHBondContact O-N 2.96Å; D826-T833 HydrophobicContact CB-CG2 4.42Å; D826-I836 HydrophobicContact CB-CD1 4.1Å; D826-K855 IonicContact OD1-NZ 2.72Å; D826-K855 PolarHBondContact OD1-NZ 3.43Å; D826-K855 IonicContact OD2-NZ 3.7Å
827	I	92.1	Very high	88.4	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-55.8	169.9	-66.3	172.2	0	0	0	110.7	F812 Y823 L824 R829 G830 I836 D841 I846 Y847 G848	F812-I827 HydrophobicContact CE2-CD1 4.21Å; F812-I827 HydrophobicContact CZ-CD1 3.89Å; Y823-I827 HydrophobicContact CD1-CD1 3.87Å; Y823-I827 HydrophobicContact CE1-CD1 3.5Å; Y823-I827 HydrophobicContact CE1-CG1 4.26Å; Y823-I827 WeakPolarHBondContact O-CG1 3.32Å; Y823-I827 PolarHBondContact O-N 3.47Å; L824-I827 PolarHBondContact O-N 2.88Å; I827-R829 PolarHBondContact O-N 3.47Å; I827-G830 PolarHBondContact O-N 3.49Å; I827-I836 HydrophobicContact CB-CD1 4.42Å; I827-I836 HydrophobicContact CG1-CD1 3.69Å; I827-I836 HydrophobicContact CG1-CG1 3.84Å; I827-D841 HydrophobicContact CD1-CB 3.97Å; I827-D841 HydrophobicContact CG1-CB 4.33Å; I827-I846 HydrophobicContact CB-CD1 4.41Å; I827-I846 HydrophobicContact CG2-CD1 3.74Å; I827-I846 HydrophobicContact CG2-CG1 3.79Å; I827-Y847 HydrophobicContact CG2-CD2 4.2Å; I827-Y847 WeakPolarHBondContact O-CA 3.22Å; I827-Y847 WeakPolarHBondContact O-CD2 3.48Å; I827-G848 PolarHBondContact O-N 3.43Å
828	F	92.5	Very high	88.2	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-54.4	-41.3	-174.7	178	-124.1	0	0	0	111.5	D801 I805 L824 V825 G830 I846 G848 Q849 G850 Y853 A858 L861	D801-F828 HydrophobicContact CB-CE2 4.31Å; D801-F828 HydrophobicContact CB-CZ 4.06Å; I805-F828 HydrophobicContact CD1-CD2 4.32Å; I805-F828 HydrophobicContact CD1-CE1 4.41Å; I805-F828 HydrophobicContact CD1-CE2 4.16Å; I805-F828 HydrophobicContact CD1-CZ 4.21Å; I805-F828 HydrophobicContact CG1-CD2 4.28Å; I805-F828 HydrophobicContact CG1-CE2 4.41Å; L824-F828 WeakPolarHBondContact O-CB 3.39Å; L824-F828 PolarHBondContact O-N 2.9Å; V825-F828 PolarHBondContact O-N 3.15Å; F828-G830 VanDerWaalsContact C-N 3.31Å; F828-G830 PolarHBondContact O-N 2.88Å; F828-I846 WeakPolarHBondContact CA-O 3.39Å; F828-I846 HydrophobicContact CD2-CB 4.41Å; F828-G848 CarbonylContact O-C 3.51Å; F828-G848 WeakPolarHBondContact O-CA 3.29Å; F828-G848 PolarHBondContact O-N 3.34Å; F828-Q849 HydrophobicContact CD2-CB 4.25Å; F828-Q849 HydrophobicContact CE2-CB 4.03Å; F828-Q849 PolarHBondContact O-N 3.28Å; F828-G850 VanDerWaalsContact CE1-CA 3.49Å; F828-G850 VanDerWaalsContact CZ-CA 3.42Å; F828-G850 WeakPolarHBondContact O-CA 3.44Å; F828-G850 PolarHBondContact O-N 3.19Å; F828-Y853 AromaticContact CE1-CD2 3.9Å; F828-Y853 HydrophobicContact CE1-CD2 3.9Å; F828-Y853 HydrophobicContact CE1-CE2 4.04Å; F828-Y853 HydrophobicContact CE1-CG 4.33Å; F828-Y853 HydrophobicContact CZ-CD2 4.04Å; F828-Y853 AromaticContact CZ-CE2 3.77Å; F828-Y853 HydrophobicContact CZ-CE2 3.77Å; F828-A858 HydrophobicContact CD1-CB 4.09Å; F828-A858 HydrophobicContact CE1-CB 4.4Å; F828-L861 HydrophobicContact CE1-CD2 4.09Å; F828-L861 HydrophobicContact CZ-CD2 4.21Å
829	R	91.3	Very high	87.9	Confident	73 Å²	73	51.3 Å²	51.3	28%	0.275	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-3.9	178.7	-63	-175.1	74	-106.7	-7.3	115.2	V825 I827 Y853 A858	V825-R829 HydrophobicContact CG1-CG 4.47Å; V825-R829 WeakPolarHBondContact O-CB 3.29Å; V825-R829 VanDerWaalsContact O-CG 3.29Å; V825-R829 WeakPolarHBondContact O-CG 3.15Å; V825-R829 PolarHBondContact O-N 3.16Å; I827-R829 PolarHBondContact O-N 3.47Å; R829-Y853 PolarHBondContact NE-O 2.83Å; R829-Y853 PolarHBondContact NH2-O 2.77Å; R829-A858 HydrophobicContact CG-CB 3.81Å
830	G	89.8	Confident	87.5	Confident	23 Å²	23	52.9 Å²	52.9	24%	0.237	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	34.6	-179.2	0	0	0	0	0	113.8	D826 I827 F828 K832	D826-G830 PolarHBondContact O-N 2.71Å; I827-G830 PolarHBondContact O-N 3.49Å; F828-G830 VanDerWaalsContact C-N 3.31Å; F828-G830 PolarHBondContact O-N 2.88Å; G830-K832 PolarHBondContact O-N 2.87Å
831	A	88.6	Confident	87.2	Confident	24 Å²	24	51.2 Å²	51.2	20%	0.198	27%	0.272	C	S	.	.			trans	-76.4	124.1	-177	0	0	0	0	0	111.5	D826 T833 I836	D826-A831 HydrophobicContact CB-CB 3.95Å; D826-A831 WeakPolarHBondContact O-CB 3.34Å; D826-A831 PolarHBondContact O-N 2.96Å; A831-T833 HydrophobicContact CB-CG2 4.06Å; A831-T833 PolarHBondContact O-N 2.97Å; A831-I836 VanDerWaalsContact O-CD1 3.27Å; A831-I836 WeakPolarHBondContact O-CD1 3.37Å
832	K	86	Confident	86.9	Confident	173 Å²	173	55 Å²	55	75%	0.752	29%	0.289	S	S	*	.			trans	-75.9	59.4	178.1	-59.1	-173.6	179.5	-172.9	0	112.2	G830	G830-K832 PolarHBondContact O-N 2.87Å
833	T	85.9	Confident	86.7	Confident	41 Å²	41	55.5 Å²	55.5	25%	0.252	30%	0.3	S	S	.	.			trans	-82.5	145.6	175.7	75.6	0	0	0	0	110.4	D826 A831 H835 I836 Q837	D826-T833 HydrophobicContact CB-CG2 4.42Å; A831-T833 HydrophobicContact CB-CG2 4.06Å; A831-T833 PolarHBondContact O-N 2.97Å; T833-H835 PolarHBondContact O-N 3.04Å; T833-H835 VanDerWaalsContact O-N 3.11Å; T833-I836 HydrophobicContact CG2-CD1 4.47Å; T833-I836 PolarHBondContact O-N 3.31Å; T833-I836 VanDerWaalsContact O-N 3.1Å; T833-I836 WeakPolarHBondContact OG1-CD1 3.26Å; T833-I836 WeakPolarHBondContact OG1-CG1 3.48Å; T833-I836 PolarHBondContact OG1-N 3.23Å; T833-Q837 PolarHBondContact O-N 3.44Å; T833-Q837 VanDerWaalsContact O-N 3.11Å
834	S	82.4	Confident	86.3	Confident	83 Å²	83	55.8 Å²	55.8	58%	0.58	30%	0.303	S	S	*	.	H	α-helix	trans	-64.9	-15.1	178.5	57.1	0	0	0	0	113.7	K838	S834-K838 VanDerWaalsContact O-CB 3.32Å; S834-K838 WeakPolarHBondContact O-CB 3.21Å; S834-K838 WeakPolarHBondContact O-CD 3.32Å; S834-K838 WeakPolarHBondContact O-CG 3.23Å; S834-K838 PolarHBondContact O-N 2.96Å
835	H	84.2	Confident	85.9	Confident	111 Å²	111	63 Å²	63	51%	0.514	34%	0.337	S	S	.	.	H	α-helix	trans	-78.5	-41.7	172.2	-168.1	-67.7	0	0	0	111.9	Y823 T833 K838 S839	Y823-H835 HydrophobicContact CE2-CB 4.07Å; Y823-H835 AromaticContact CE2-CE1 3.85Å; Y823-H835 AromaticContact CE2-CG 3.75Å; Y823-H835 AromaticContact CE2-ND1 3.11Å; Y823-H835 WeakPolarHBondContact CE2-ND1 3.38Å; Y823-H835 AromaticContact CZ-CE1 3.72Å; Y823-H835 AromaticContact CZ-ND1 3.17Å; Y823-H835 PolarHBondContact OH-ND1 3.42Å; T833-H835 PolarHBondContact O-N 3.04Å; T833-H835 VanDerWaalsContact O-N 3.11Å; H835-K838 PolarHBondContact O-N 3.29Å; H835-S839 WeakPolarHBondContact O-CB 3.42Å; H835-S839 PolarHBondContact O-N 2.94Å; H835-S839 VanDerWaalsContact O-N 3.15Å; H835-S839 PolarHBondContact O-OG 2.81Å
836	I	83.2	Confident	85.9	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-44.9	175.3	-72.6	169.3	0	0	0	110.2	Y823 D826 I827 A831 T833 K838 S839 G840 D841 E842 Y847	Y823-I836 HydrophobicContact CE2-CD1 4.42Å; Y823-I836 HydrophobicContact CE2-CG1 3.65Å; Y823-I836 WeakPolarHBondContact OH-CA 3.36Å; D826-I836 HydrophobicContact CB-CD1 4.1Å; I827-I836 HydrophobicContact CB-CD1 4.42Å; I827-I836 HydrophobicContact CG1-CD1 3.69Å; I827-I836 HydrophobicContact CG1-CG1 3.84Å; A831-I836 VanDerWaalsContact O-CD1 3.27Å; A831-I836 WeakPolarHBondContact O-CD1 3.37Å; T833-I836 HydrophobicContact CG2-CD1 4.47Å; T833-I836 PolarHBondContact O-N 3.31Å; T833-I836 VanDerWaalsContact O-N 3.1Å; T833-I836 WeakPolarHBondContact OG1-CD1 3.26Å; T833-I836 WeakPolarHBondContact OG1-CG1 3.48Å; T833-I836 PolarHBondContact OG1-N 3.23Å; I836-K838 PolarHBondContact O-N 3.22Å; I836-S839 WeakPolarHBondContact CA-OG 3.44Å; I836-S839 PolarHBondContact O-N 2.92Å; I836-S839 PolarHBondContact O-OG 3.03Å; I836-G840 PolarHBondContact O-N 2.88Å; I836-D841 HydrophobicContact CG2-CB 4.04Å; I836-D841 PolarHBondContact O-N 2.62Å; I836-E842 HydrophobicContact CG2-CG 3.63Å; I836-Y847 HydrophobicContact CG2-CD2 4.45Å; I836-Y847 HydrophobicContact CG2-CE2 3.87Å
837	Q	84.4	Confident	85.8	Confident	108 Å²	108	63.9 Å²	63.9	51%	0.505	34%	0.338	S	S	.	.	H	α-helix	trans	-61.5	-44.5	176.5	-68.5	175.7	-30.1	0	0	112.6	T833 S839 G840	T833-Q837 PolarHBondContact O-N 3.44Å; T833-Q837 VanDerWaalsContact O-N 3.11Å; Q837-S839 VanDerWaalsContact C-N 3.27Å; Q837-S839 PolarHBondContact O-N 3.18Å; Q837-G840 PolarHBondContact O-N 3Å
838	K	82.5	Confident	85.7	Confident	188 Å²	188	65 Å²	65	82%	0.817	35%	0.349	S	S	*	.	H	α-helix	trans	-69.6	-18.7	178.7	-78.4	178.6	177.9	-169.7	0	114.9	S834 H835 I836	S834-K838 VanDerWaalsContact O-CB 3.32Å; S834-K838 WeakPolarHBondContact O-CB 3.21Å; S834-K838 WeakPolarHBondContact O-CD 3.32Å; S834-K838 WeakPolarHBondContact O-CG 3.23Å; S834-K838 PolarHBondContact O-N 2.96Å; H835-K838 PolarHBondContact O-N 3.29Å; I836-K838 PolarHBondContact O-N 3.22Å
839	S	82.1	Confident	85.5	Confident	42 Å²	42	69.4 Å²	69.4	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-102.1	-3.4	-178.2	52.4	0	0	0	0	113.6	Y823 H835 I836 Q837 D841	Y823-S839 PolarHBondContact OH-OG 3.08Å; H835-S839 WeakPolarHBondContact O-CB 3.42Å; H835-S839 PolarHBondContact O-N 2.94Å; H835-S839 VanDerWaalsContact O-N 3.15Å; H835-S839 PolarHBondContact O-OG 2.81Å; I836-S839 WeakPolarHBondContact CA-OG 3.44Å; I836-S839 PolarHBondContact O-N 2.92Å; I836-S839 PolarHBondContact O-OG 3.03Å; Q837-S839 VanDerWaalsContact C-N 3.27Å; Q837-S839 PolarHBondContact O-N 3.18Å; S839-D841 PolarHBondContact O-N 3.44Å; S839-D841 PolarHBondContact OG-OD2 2.94Å; S839-D841 VanDerWaalsContact OG-OD2 3.04Å
840	G	82.6	Confident	85.2	Confident	40 Å²	40	66 Å²	66	41%	0.412	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	12.2	-175	0	0	0	0	0	113.9	I836 Q837 E842 S843	I836-G840 PolarHBondContact O-N 2.88Å; Q837-G840 PolarHBondContact O-N 3Å; G840-E842 PolarHBondContact O-N 2.98Å; G840-E842 VanDerWaalsContact O-N 3.07Å; G840-S843 WeakPolarHBondContact O-CB 3.49Å; G840-S843 PolarHBondContact O-N 2.55Å; G840-S843 VanDerWaalsContact O-N 3.12Å; G840-S843 PolarHBondContact O-OG 3.02Å
841	D	83.7	Confident	85.1	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.021	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-69.1	-9.4	-170.3	-84.1	-25.5	0	0	0	114.2	R817 Y823 I827 I836 S839 S843 N844	R817-D841 IonicContact CZ-OD1 2.62Å; R817-D841 IonicContact CZ-OD2 2.81Å; R817-D841 IonicContact NH1-OD1 2.71Å; R817-D841 PolarHBondContact NH1-OD1 2.97Å; R817-D841 IonicContact NH1-OD2 3.84Å; R817-D841 VanDerWaalsContact NH2-CG 3.28Å; R817-D841 IonicContact NH2-OD1 3.02Å; R817-D841 PolarHBondContact NH2-OD1 2.92Å; R817-D841 IonicContact NH2-OD2 2.72Å; R817-D841 PolarHBondContact NH2-OD2 3.23Å; Y823-D841 WeakPolarHBondContact CE1-OD2 3.43Å; Y823-D841 VanDerWaalsContact CZ-OD2 3.28Å; Y823-D841 PolarHBondContact OH-OD2 3.5Å; I827-D841 HydrophobicContact CD1-CB 3.97Å; I827-D841 HydrophobicContact CG1-CB 4.33Å; I836-D841 HydrophobicContact CG2-CB 4.04Å; I836-D841 PolarHBondContact O-N 2.62Å; S839-D841 PolarHBondContact O-N 3.44Å; S839-D841 PolarHBondContact OG-OD2 2.94Å; S839-D841 VanDerWaalsContact OG-OD2 3.04Å; D841-S843 PolarHBondContact O-N 2.72Å; D841-N844 WeakPolarHBondContact CA-ND2 3.47Å; D841-N844 WeakPolarHBondContact CB-ND2 3.5Å; D841-N844 WeakPolarHBondContact O-CB 3.34Å; D841-N844 PolarHBondContact O-N 2.86Å; D841-N844 VanDerWaalsContact O-N 3.13Å; D841-N844 PolarHBondContact O-ND2 2.67Å; D841-N844 PolarHBondContact OD1-ND2 3.06Å
842	E	82.4	Confident	84.9	Confident	85 Å²	85	71.5 Å²	71.5	40%	0.397	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-60.9	-18.1	170.1	-54	-165.5	135.4	0	0	112.6	I836 G840 Y847	I836-E842 HydrophobicContact CG2-CG 3.63Å; G840-E842 PolarHBondContact O-N 2.98Å; G840-E842 VanDerWaalsContact O-N 3.07Å; E842-Y847 HydrophobicContact CB-CD1 3.97Å; E842-Y847 HydrophobicContact CB-CE1 3.72Å; E842-Y847 HydrophobicContact CG-CD1 4.49Å; E842-Y847 HydrophobicContact CG-CE1 3.84Å; E842-Y847 HydrophobicContact CG-CE2 4.28Å; E842-Y847 WeakPolarHBondContact O-CD1 3.27Å; E842-Y847 PolarHBondContact OE1-OH 3.5Å
843	S	82.5	Confident	84.8	Confident	107 Å²	107	63.6 Å²	63.6	75%	0.748	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-82	-9.4	175.3	62.6	0	0	0	0	115	G840 D841	G840-S843 WeakPolarHBondContact O-CB 3.49Å; G840-S843 PolarHBondContact O-N 2.55Å; G840-S843 VanDerWaalsContact O-N 3.12Å; G840-S843 PolarHBondContact O-OG 3.02Å; D841-S843 PolarHBondContact O-N 2.72Å
844	N	82.9	Confident	84.6	Confident	31 Å²	31	63.7 Å²	63.7	17%	0.166	36%	0.363	C	S	.	.	S	Bend	trans	-71.8	141.8	-179	-70.3	-70.6	0	0	0	111.8	D841 I846 Y847	D841-N844 WeakPolarHBondContact CA-ND2 3.47Å; D841-N844 WeakPolarHBondContact CB-ND2 3.5Å; D841-N844 WeakPolarHBondContact O-CB 3.34Å; D841-N844 PolarHBondContact O-N 2.86Å; D841-N844 VanDerWaalsContact O-N 3.13Å; D841-N844 PolarHBondContact O-ND2 2.67Å; D841-N844 PolarHBondContact OD1-ND2 3.06Å; N844-I846 HydrophobicContact CB-CG1 4.3Å; N844-I846 PolarHBondContact O-N 2.88Å; N844-Y847 WeakPolarHBondContact O-CB 3.4Å; N844-Y847 PolarHBondContact O-N 3.29Å
845	Q	83.6	Confident	84.6	Confident	153 Å²	153	63.6 Å²	63.6	72%	0.715	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.5	-178.7	-64.8	-179.1	-4	0	0	114.8	Q849	Q845-Q849 WeakPolarHBondContact O-CG 3.38Å; Q845-Q849 PolarHBondContact O-NE2 3.12Å; Q845-Q849 VanDerWaalsContact O-NE2 3.14Å
846	I	89.4	Confident	84.3	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.005	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-11	176.2	56.1	159.7	0	0	0	114.6	K804 T808 I827 F828 N844 G848 Q849	K804-I846 HydrophobicContact CB-CG2 3.78Å; K804-I846 WeakPolarHBondContact O-CG2 3.09Å; T808-I846 HydrophobicContact CG2-CD1 3.72Å; T808-I846 HydrophobicContact CG2-CG1 3.83Å; T808-I846 VanDerWaalsContact OG1-CG2 3.26Å; T808-I846 WeakPolarHBondContact OG1-CG2 3.33Å; I827-I846 HydrophobicContact CB-CD1 4.41Å; I827-I846 HydrophobicContact CG2-CD1 3.74Å; I827-I846 HydrophobicContact CG2-CG1 3.79Å; F828-I846 WeakPolarHBondContact CA-O 3.39Å; F828-I846 HydrophobicContact CD2-CB 4.41Å; N844-I846 HydrophobicContact CB-CG1 4.3Å; N844-I846 PolarHBondContact O-N 2.88Å; I846-G848 PolarHBondContact O-N 3.24Å; I846-G848 VanDerWaalsContact O-N 3.14Å; I846-Q849 WeakPolarHBondContact O-CB 3.44Å; I846-Q849 PolarHBondContact O-N 3.36Å; I846-Q849 VanDerWaalsContact O-N 3.14Å
847	Y	90.5	Very high	84.3	Confident	54 Å²	54	63.8 Å²	63.8	21%	0.212	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	118.9	-174.5	-173.5	-117	0	0	0	110.7	I827 I836 E842 N844 Q849	I827-Y847 HydrophobicContact CG2-CD2 4.2Å; I827-Y847 WeakPolarHBondContact O-CA 3.22Å; I827-Y847 WeakPolarHBondContact O-CD2 3.48Å; I836-Y847 HydrophobicContact CG2-CD2 4.45Å; I836-Y847 HydrophobicContact CG2-CE2 3.87Å; E842-Y847 HydrophobicContact CB-CD1 3.97Å; E842-Y847 HydrophobicContact CB-CE1 3.72Å; E842-Y847 HydrophobicContact CG-CD1 4.49Å; E842-Y847 HydrophobicContact CG-CE1 3.84Å; E842-Y847 HydrophobicContact CG-CE2 4.28Å; E842-Y847 WeakPolarHBondContact O-CD1 3.27Å; E842-Y847 PolarHBondContact OE1-OH 3.5Å; N844-Y847 WeakPolarHBondContact O-CB 3.4Å; N844-Y847 PolarHBondContact O-N 3.29Å; Y847-Q849 PolarHBondContact O-N 3.14Å
848	G	88.6	Confident	84.4	Confident	22 Å²	22	58.6 Å²	58.6	23%	0.227	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	-5.7	-178.4	0	0	0	0	0	116.4	I827 F828 I846 G850 S851	I827-G848 PolarHBondContact O-N 3.43Å; F828-G848 CarbonylContact O-C 3.51Å; F828-G848 WeakPolarHBondContact O-CA 3.29Å; F828-G848 PolarHBondContact O-N 3.34Å; I846-G848 PolarHBondContact O-N 3.24Å; I846-G848 VanDerWaalsContact O-N 3.14Å; G848-G850 PolarHBondContact O-N 2.91Å; G848-S851 WeakPolarHBondContact O-CB 3.32Å; G848-S851 PolarHBondContact O-N 2.85Å; G848-S851 PolarHBondContact O-OG 3.02Å
849	Q	88.7	Confident	84.6	Confident	95 Å²	95	51.9 Å²	51.9	44%	0.444	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-57.5	-39.1	174.6	-65.6	-70.1	-20.1	0	0	111.2	F828 Q845 I846 Y847 S851	F828-Q849 HydrophobicContact CD2-CB 4.25Å; F828-Q849 HydrophobicContact CE2-CB 4.03Å; F828-Q849 PolarHBondContact O-N 3.28Å; Q845-Q849 WeakPolarHBondContact O-CG 3.38Å; Q845-Q849 PolarHBondContact O-NE2 3.12Å; Q845-Q849 VanDerWaalsContact O-NE2 3.14Å; I846-Q849 WeakPolarHBondContact O-CB 3.44Å; I846-Q849 PolarHBondContact O-N 3.36Å; I846-Q849 VanDerWaalsContact O-N 3.14Å; Y847-Q849 PolarHBondContact O-N 3.14Å; Q849-S851 VanDerWaalsContact C-N 3.26Å; Q849-S851 PolarHBondContact O-N 3.32Å
850	G	85.6	Confident	84.7	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-81.4	10.6	176.6	0	0	0	0	0	115.1	F828 G848 A852 Y853	F828-G850 VanDerWaalsContact CE1-CA 3.49Å; F828-G850 VanDerWaalsContact CZ-CA 3.42Å; F828-G850 WeakPolarHBondContact O-CA 3.44Å; F828-G850 PolarHBondContact O-N 3.19Å; G848-G850 PolarHBondContact O-N 2.91Å; G850-A852 PolarHBondContact O-N 2.9Å; G850-Y853 WeakPolarHBondContact O-CB 3.49Å; G850-Y853 PolarHBondContact O-N 3.12Å
851	S	87.3	Confident	85	Confident	82 Å²	82	49.2 Å²	49.2	57%	0.573	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-56.8	-32.1	-178.2	51.7	0	0	0	0	113.7	G848 Q849 Y853	G848-S851 WeakPolarHBondContact O-CB 3.32Å; G848-S851 PolarHBondContact O-N 2.85Å; G848-S851 PolarHBondContact O-OG 3.02Å; Q849-S851 VanDerWaalsContact C-N 3.26Å; Q849-S851 PolarHBondContact O-N 3.32Å; S851-Y853 PolarHBondContact O-N 2.76Å
852	A	85	Confident	85.3	Confident	81 Å²	81	49 Å²	49	67%	0.669	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-71.1	-11.8	175.1	0	0	0	0	0	114.5	G850	G850-A852 PolarHBondContact O-N 2.9Å
853	Y	82.6	Confident	85.6	Confident	8 Å²	8	45.6 Å²	45.6	3%	0.031	26%	0.262	C	S	.	.	S	Bend	trans	-90.4	140.8	179.9	-65.8	-102.7	0	0	0	111.3	R796 V798 D801 F828 R829 G850 S851 D857 L905	R796-Y853 PolarHBondContact NH2-OH 3.05Å; V798-Y853 HydrophobicContact CG1-CE1 4.25Å; V798-Y853 VanDerWaalsContact CG1-OH 3.24Å; V798-Y853 WeakPolarHBondContact CG1-OH 3.17Å; D801-Y853 WeakPolarHBondContact OD2-CE2 3.43Å; D801-Y853 PolarHBondContact OD2-OH 3.2Å; F828-Y853 AromaticContact CE1-CD2 3.9Å; F828-Y853 HydrophobicContact CE1-CD2 3.9Å; F828-Y853 HydrophobicContact CE1-CE2 4.04Å; F828-Y853 HydrophobicContact CE1-CG 4.33Å; F828-Y853 HydrophobicContact CZ-CD2 4.04Å; F828-Y853 AromaticContact CZ-CE2 3.77Å; F828-Y853 HydrophobicContact CZ-CE2 3.77Å; R829-Y853 PolarHBondContact NE-O 2.83Å; R829-Y853 PolarHBondContact NH2-O 2.77Å; G850-Y853 WeakPolarHBondContact O-CB 3.49Å; G850-Y853 PolarHBondContact O-N 3.12Å; S851-Y853 PolarHBondContact O-N 2.76Å; Y853-D857 HydrophobicContact CD1-CB 4.15Å; Y853-L905 HydrophobicContact CD1-CD2 4.46Å; Y853-L905 HydrophobicContact CE1-CD2 4.23Å
854	S	82.4	Confident	85.8	Confident	43 Å²	43	42.6 Å²	42.6	30%	0.301	23%	0.234	S	C	.	.			trans	-60.2	157.8	163.5	81.2	0	0	0	0	109.8	T856 D857 A858	S854-T856 PolarHBondContact O-N 2.92Å; S854-T856 PolarHBondContact OG-OG1 3.5Å; S854-D857 WeakPolarHBondContact CB-OD2 3.37Å; S854-D857 PolarHBondContact O-N 3.45Å; S854-D857 WeakPolarHBondContact OG-CB 3.19Å; S854-D857 PolarHBondContact OG-N 2.89Å; S854-D857 PolarHBondContact OG-OD2 3.25Å; S854-A858 PolarHBondContact O-N 2.87Å; S854-A858 VanDerWaalsContact O-N 3.09Å
855	K	81.5	Confident	86.2	Confident	80 Å²	80	41.1 Å²	41.1	35%	0.348	23%	0.226	S	C	.	.	H	α-helix	trans	-58.3	-42.5	177	179.2	151.6	-176.1	148.4	0	110.8	V825 D826 D857 A858 E859	V825-K855 HydrophobicContact CG1-CG 4.3Å; D826-K855 IonicContact OD1-NZ 2.72Å; D826-K855 PolarHBondContact OD1-NZ 3.43Å; D826-K855 IonicContact OD2-NZ 3.7Å; K855-D857 PolarHBondContact O-N 2.96Å; K855-A858 PolarHBondContact O-N 3.37Å; K855-E859 WeakPolarHBondContact CE-OE1 3.43Å; K855-E859 HydrophobicContact CG-CG 4.43Å; K855-E859 VanDerWaalsContact CG-OE1 3.29Å; K855-E859 WeakPolarHBondContact CG-OE1 3.39Å; K855-E859 WeakPolarHBondContact O-CB 3.39Å; K855-E859 VanDerWaalsContact O-CG 3.3Å; K855-E859 WeakPolarHBondContact O-CG 3.29Å; K855-E859 PolarHBondContact O-N 2.87Å
856	T	78.1	Confident	86.5	Confident	84 Å²	84	33.9 Å²	33.9	52%	0.515	19%	0.192	S	C	.	.	H	α-helix	trans	-60.2	-42.2	174.5	34.9	0	0	0	0	113.5	S854 E859 R860	S854-T856 PolarHBondContact O-N 2.92Å; S854-T856 PolarHBondContact OG-OG1 3.5Å; T856-E859 PolarHBondContact O-N 3.2Å; T856-R860 WeakPolarHBondContact O-CB 3.37Å; T856-R860 WeakPolarHBondContact O-CD 3.27Å; T856-R860 WeakPolarHBondContact O-CG 3.3Å; T856-R860 PolarHBondContact O-N 2.89Å
857	D	83.1	Confident	86.2	Confident	31 Å²	31	34.7 Å²	34.7	17%	0.166	20%	0.198	C	C	.	.	H	α-helix	trans	-75.5	-29.8	-178.1	-64.3	-54.3	0	0	0	112.8	Y853 S854 K855 R860 L861 L905	Y853-D857 HydrophobicContact CD1-CB 4.15Å; S854-D857 WeakPolarHBondContact CB-OD2 3.37Å; S854-D857 PolarHBondContact O-N 3.45Å; S854-D857 WeakPolarHBondContact OG-CB 3.19Å; S854-D857 PolarHBondContact OG-N 2.89Å; S854-D857 PolarHBondContact OG-OD2 3.25Å; K855-D857 PolarHBondContact O-N 2.96Å; D857-R860 IonicContact OD1-CZ 3.6Å; D857-R860 IonicContact OD1-NH1 3.66Å; D857-R860 PolarHBondContact OD1-NH1 3.01Å; D857-L861 WeakPolarHBondContact O-CB 3.5Å; D857-L861 PolarHBondContact O-N 3Å; D857-L905 HydrophobicContact CB-CD2 4.14Å
858	A	87.6	Confident	86	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.4	-42.3	169.5	0	0	0	0	0	112	V825 F828 R829 S854 K855 L861 L862	V825-A858 HydrophobicContact CG1-CB 4.02Å; V825-A858 HydrophobicContact CG2-CB 4.45Å; F828-A858 HydrophobicContact CD1-CB 4.09Å; F828-A858 HydrophobicContact CE1-CB 4.4Å; R829-A858 HydrophobicContact CG-CB 3.81Å; S854-A858 PolarHBondContact O-N 2.87Å; S854-A858 VanDerWaalsContact O-N 3.09Å; K855-A858 PolarHBondContact O-N 3.37Å; A858-L861 PolarHBondContact O-N 2.66Å; A858-L862 WeakPolarHBondContact O-CD2 3.36Å; A858-L862 PolarHBondContact O-N 2.85Å; A858-L862 VanDerWaalsContact O-N 3.11Å
859	E	86.2	Confident	86	Confident	46 Å²	46	34.8 Å²	34.8	22%	0.215	19%	0.193	C	C	.	.	H	α-helix	trans	-58.4	-49.5	172.3	-74.3	164.9	176.5	0	0	110.4	V825 K855 T856 L861 L862 H863	V825-E859 HydrophobicContact CB-CG 4.49Å; V825-E859 HydrophobicContact CG1-CG 4.04Å; V825-E859 HydrophobicContact CG2-CG 3.91Å; K855-E859 WeakPolarHBondContact CE-OE1 3.43Å; K855-E859 HydrophobicContact CG-CG 4.43Å; K855-E859 VanDerWaalsContact CG-OE1 3.29Å; K855-E859 WeakPolarHBondContact CG-OE1 3.39Å; K855-E859 WeakPolarHBondContact O-CB 3.39Å; K855-E859 VanDerWaalsContact O-CG 3.3Å; K855-E859 WeakPolarHBondContact O-CG 3.29Å; K855-E859 PolarHBondContact O-N 2.87Å; T856-E859 PolarHBondContact O-N 3.2Å; E859-L861 VanDerWaalsContact C-N 3.33Å; E859-L861 PolarHBondContact O-N 3.37Å; E859-L862 PolarHBondContact O-N 2.93Å; E859-H863 WeakPolarHBondContact O-CB 3.21Å; E859-H863 PolarHBondContact O-CD2 3.4Å; E859-H863 PolarHBondContact O-N 2.87Å; E859-H863 PolarHBondContact O-ND1 3.31Å
860	R	84.2	Confident	86.1	Confident	25 Å²	25	30.3 Å²	30.3	9%	0.094	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-38.2	177	-68.7	170	72.9	-134	0.5	113.2	E751 T856 D857 R864 L905 P906	E751-R860 WeakPolarHBondContact OE2-CG 3.35Å; E751-R860 IonicContact OE2-NE 2.73Å; E751-R860 PolarHBondContact OE2-NE 3.48Å; T856-R860 WeakPolarHBondContact O-CB 3.37Å; T856-R860 WeakPolarHBondContact O-CD 3.27Å; T856-R860 WeakPolarHBondContact O-CG 3.3Å; T856-R860 PolarHBondContact O-N 2.89Å; D857-R860 IonicContact OD1-CZ 3.6Å; D857-R860 IonicContact OD1-NH1 3.66Å; D857-R860 PolarHBondContact OD1-NH1 3.01Å; R860-R864 WeakPolarHBondContact O-CB 3.45Å; R860-R864 PolarHBondContact O-N 2.99Å; R860-L905 HydrophobicContact CB-CD1 4.18Å; R860-P906 PolarHBondContact NH1-O 3.38Å; R860-P906 VanDerWaalsContact NH1-O 3.08Å
861	L	89.5	Confident	86.5	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-60.6	-52.7	173	176.3	53.9	0	0	0	111.1	V798 D801 I805 F828 D857 A858 E859 H863 R864 L865 I903 L905	V798-L861 HydrophobicContact CB-CD1 4.38Å; V798-L861 HydrophobicContact CG2-CD1 3.68Å; D801-L861 HydrophobicContact CB-CD2 4.43Å; I805-L861 HydrophobicContact CD1-CD2 3.85Å; I805-L861 HydrophobicContact CD1-CG 4.29Å; F828-L861 HydrophobicContact CE1-CD2 4.09Å; F828-L861 HydrophobicContact CZ-CD2 4.21Å; D857-L861 WeakPolarHBondContact O-CB 3.5Å; D857-L861 PolarHBondContact O-N 3Å; A858-L861 PolarHBondContact O-N 2.66Å; E859-L861 VanDerWaalsContact C-N 3.33Å; E859-L861 PolarHBondContact O-N 3.37Å; L861-H863 VanDerWaalsContact C-N 3.35Å; L861-H863 PolarHBondContact O-N 3.48Å; L861-R864 WeakPolarHBondContact O-CB 3.39Å; L861-R864 PolarHBondContact O-N 3.39Å; L861-R864 VanDerWaalsContact O-N 3.17Å; L861-L865 HydrophobicContact CD1-CG 4.46Å; L861-L865 WeakPolarHBondContact O-CG 3.44Å; L861-L865 PolarHBondContact O-N 3.25Å; L861-I903 HydrophobicContact CD1-CG2 4.28Å; L861-L905 HydrophobicContact CB-CD2 4.43Å
862	L	90.4	Very high	86.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.9	-41.9	179.1	-88.7	-68.6	0	0	0	111.9	I805 V821 L824 V825 A858 E859 R864 L865 V866 L871	I805-L862 HydrophobicContact CD1-CD2 3.85Å; I805-L862 HydrophobicContact CG2-CD1 3.77Å; V821-L862 HydrophobicContact CG1-CB 3.75Å; V821-L862 HydrophobicContact CG1-CG 4.31Å; L824-L862 HydrophobicContact CB-CD1 4.18Å; L824-L862 HydrophobicContact CB-CG 4.48Å; L824-L862 HydrophobicContact CD1-CD1 3.86Å; V825-L862 HydrophobicContact CG2-CD2 4.39Å; V825-L862 HydrophobicContact CG2-CG 4.22Å; A858-L862 WeakPolarHBondContact O-CD2 3.36Å; A858-L862 PolarHBondContact O-N 2.85Å; A858-L862 VanDerWaalsContact O-N 3.11Å; E859-L862 PolarHBondContact O-N 2.93Å; L862-R864 VanDerWaalsContact C-N 3.33Å; L862-R864 PolarHBondContact O-N 3.19Å; L862-L865 PolarHBondContact O-N 2.9Å; L862-V866 PolarHBondContact O-N 3.33Å; L862-L871 HydrophobicContact CD1-CD1 3.91Å
863	H	87.2	Confident	86.7	Confident	14 Å²	14	27.3 Å²	27.3	7%	0.065	13%	0.131	C	C	.	.	H	α-helix	trans	-61.5	-37.6	174.7	-64.3	160.5	0	0	0	112.5	W713 E859 L861 V866 S867	W713-H863 AromaticContact CD1-CD2 3.95Å; W713-H863 AromaticContact CD1-NE2 3.65Å; W713-H863 HydrophobicContact CD2-CB 4.3Å; W713-H863 AromaticContact CD2-CD2 3.39Å; W713-H863 AromaticContact CD2-CE1 3.94Å; W713-H863 AromaticContact CD2-CG 3.61Å; W713-H863 AromaticContact CD2-ND1 3.92Å; W713-H863 AromaticContact CD2-NE2 3.64Å; W713-H863 AromaticContact CE2-CD2 3.56Å; W713-H863 HydrophobicContact CE3-CB 3.73Å; W713-H863 AromaticContact CE3-CD2 3.73Å; W713-H863 AromaticContact CE3-CG 3.42Å; W713-H863 VanDerWaalsContact CE3-CG 3.42Å; W713-H863 AromaticContact CE3-ND1 3.69Å; W713-H863 AromaticContact CG-CD2 3.68Å; W713-H863 AromaticContact CG-CE1 3.67Å; W713-H863 AromaticContact CG-NE2 3.37Å; W713-H863 HydrophobicContact CH2-CB 3.86Å; W713-H863 HydrophobicContact CZ2-CB 4.43Å; W713-H863 HydrophobicContact CZ3-CB 3.47Å; W713-H863 VanDerWaalsContact CZ3-CB 3.47Å; W713-H863 AromaticContact CZ3-CG 3.73Å; W713-H863 AromaticContact NE1-CD2 3.89Å; E859-H863 WeakPolarHBondContact O-CB 3.21Å; E859-H863 PolarHBondContact O-CD2 3.4Å; E859-H863 PolarHBondContact O-N 2.87Å; E859-H863 PolarHBondContact O-ND1 3.31Å; L861-H863 VanDerWaalsContact C-N 3.35Å; L861-H863 PolarHBondContact O-N 3.48Å; H863-V866 PolarHBondContact O-N 3.06Å; H863-S867 PolarHBondContact O-N 3.26Å; H863-S867 PolarHBondContact O-OG 3.06Å
864	R	87.2	Confident	86.8	Confident	44 Å²	44	30.9 Å²	30.9	17%	0.166	15%	0.148	C	C	.	.	H	α-helix	trans	-65.1	-42.6	174.8	-172.9	65.2	-174.8	-173.9	7.4	111.5	R860 L861 L862 V866 S867 E868	R860-R864 WeakPolarHBondContact O-CB 3.45Å; R860-R864 PolarHBondContact O-N 2.99Å; L861-R864 WeakPolarHBondContact O-CB 3.39Å; L861-R864 PolarHBondContact O-N 3.39Å; L861-R864 VanDerWaalsContact O-N 3.17Å; L862-R864 VanDerWaalsContact C-N 3.33Å; L862-R864 PolarHBondContact O-N 3.19Å; R864-V866 VanDerWaalsContact C-N 3.31Å; R864-V866 PolarHBondContact O-N 3.48Å; R864-S867 WeakPolarHBondContact CA-OG 3.39Å; R864-S867 PolarHBondContact O-N 3.5Å; R864-S867 PolarHBondContact O-OG 2.93Å; R864-S867 VanDerWaalsContact O-OG 3.12Å; R864-E868 IonicContact CZ-OE1 2.72Å; R864-E868 IonicContact NE-OE1 3.51Å; R864-E868 PolarHBondContact NE-OE1 2.86Å; R864-E868 IonicContact NH2-OE1 2.72Å; R864-E868 PolarHBondContact NH2-OE1 3.14Å; R864-E868 WeakPolarHBondContact O-CB 3.34Å; R864-E868 PolarHBondContact O-N 3.45Å
865	L	91.8	Very high	86.9	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.7	-34.9	175.4	-59.6	179.7	0	0	0	112.6	A802 I805 L861 L862 I870 L871 I903	A802-L865 HydrophobicContact CB-CD1 4.04Å; A802-L865 HydrophobicContact CB-CD2 3.71Å; A802-L865 HydrophobicContact CB-CG 4.48Å; I805-L865 HydrophobicContact CB-CD1 4.45Å; I805-L865 HydrophobicContact CG2-CD1 4.05Å; L861-L865 HydrophobicContact CD1-CG 4.46Å; L861-L865 WeakPolarHBondContact O-CG 3.44Å; L861-L865 PolarHBondContact O-N 3.25Å; L862-L865 PolarHBondContact O-N 2.9Å; L865-I870 HydrophobicContact CB-CB 4.42Å; L865-I870 HydrophobicContact CD2-CB 4.47Å; L865-I870 HydrophobicContact CD2-CD1 4.03Å; L865-I870 HydrophobicContact CD2-CG2 4.25Å; L865-I870 WeakPolarHBondContact O-CA 3.37Å; L865-I870 WeakPolarHBondContact O-CB 3.33Å; L865-I870 PolarHBondContact O-N 2.98Å; L865-L871 HydrophobicContact CB-CB 4.42Å; L865-L871 HydrophobicContact CB-CD1 3.82Å; L865-L871 HydrophobicContact CB-CG 3.97Å; L865-L871 HydrophobicContact CD1-CD1 4.08Å; L865-L871 PolarHBondContact O-N 3.22Å; L865-I903 HydrophobicContact CD2-CD1 4.19Å; L865-I903 HydrophobicContact CD2-CG1 4.06Å; L865-I903 HydrophobicContact CD2-CG2 4.22Å
866	V	89.3	Confident	86.9	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69	-48.6	173.8	173	0	0	0	0	111.7	W713 Y744 L862 H863 R864 E868 R869 L871 E873	W713-V866 HydrophobicContact CH2-CB 4.32Å; W713-V866 HydrophobicContact CH2-CG1 4.23Å; W713-V866 HydrophobicContact CZ2-CB 4.14Å; W713-V866 HydrophobicContact CZ2-CG1 3.86Å; Y744-V866 HydrophobicContact CE1-CG1 4.17Å; Y744-V866 WeakPolarHBondContact OH-CG1 3.47Å; L862-V866 PolarHBondContact O-N 3.33Å; H863-V866 PolarHBondContact O-N 3.06Å; R864-V866 VanDerWaalsContact C-N 3.31Å; R864-V866 PolarHBondContact O-N 3.48Å; V866-E868 PolarHBondContact O-N 3.35Å; V866-R869 PolarHBondContact O-N 3.45Å; V866-L871 HydrophobicContact CG2-CB 3.96Å; V866-E873 HydrophobicContact CG1-CG 4.03Å; V866-E873 HydrophobicContact CG2-CG 4.06Å
867	S	83	Confident	87	Confident	18 Å²	18	28.4 Å²	28.4	13%	0.126	14%	0.14	C	C	.	.	H	α-helix	trans	-67.4	-30.1	-178.8	49.9	0	0	0	0	113.9	H863 R864 R869	H863-S867 PolarHBondContact O-N 3.26Å; H863-S867 PolarHBondContact O-OG 3.06Å; R864-S867 WeakPolarHBondContact CA-OG 3.39Å; R864-S867 PolarHBondContact O-N 3.5Å; R864-S867 PolarHBondContact O-OG 2.93Å; R864-S867 VanDerWaalsContact O-OG 3.12Å; S867-R869 PolarHBondContact O-N 3.03Å
868	E	86.7	Confident	86.9	Confident	35 Å²	35	29 Å²	29	16%	0.164	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-2.1	171.8	-72.7	-171.5	-176.5	0	0	114.1	R864 V866 I870 K892 I903	R864-E868 IonicContact CZ-OE1 2.72Å; R864-E868 IonicContact NE-OE1 3.51Å; R864-E868 PolarHBondContact NE-OE1 2.86Å; R864-E868 IonicContact NH2-OE1 2.72Å; R864-E868 PolarHBondContact NH2-OE1 3.14Å; R864-E868 WeakPolarHBondContact O-CB 3.34Å; R864-E868 PolarHBondContact O-N 3.45Å; V866-E868 PolarHBondContact O-N 3.35Å; E868-I870 VanDerWaalsContact C-N 3.28Å; E868-I870 HydrophobicContact CB-CD1 3.99Å; E868-I870 HydrophobicContact CB-CG1 4.11Å; E868-I870 PolarHBondContact O-N 3.34Å; E868-I870 WeakPolarHBondContact OE2-CD1 3.42Å; E868-K892 VanDerWaalsContact O-CD 3.32Å; E868-K892 WeakPolarHBondContact O-CD 3.5Å; E868-I903 VanDerWaalsContact OE2-CD1 3.25Å; E868-I903 WeakPolarHBondContact OE2-CD1 3.35Å
869	R	87.8	Confident	86.3	Confident	44 Å²	44	38.5 Å²	38.5	17%	0.166	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	26.5	-173.5	-47	-64.4	-162.3	152.8	-1.3	114.1	E740 D741 V866 S867 L871 G890 S891 K892	E740-R869 IonicContact OE2-CZ 3.43Å; E740-R869 IonicContact OE2-NH1 3.97Å; E740-R869 PolarHBondContact OE2-NH1 3.49Å; E740-R869 IonicContact OE2-NH2 3.82Å; E740-R869 PolarHBondContact OE2-NH2 2.73Å; D741-R869 IonicContact OD1-CZ 3.43Å; D741-R869 IonicContact OD1-NE 3.43Å; D741-R869 IonicContact OD1-NH2 3.38Å; D741-R869 PolarHBondContact OD1-NH2 3.47Å; V866-R869 PolarHBondContact O-N 3.45Å; S867-R869 PolarHBondContact O-N 3.03Å; R869-L871 CarbonylContact C-O 3.49Å; R869-G890 CarbonylContact O-C 3.5Å; R869-G890 VanDerWaalsContact O-CA 3.26Å; R869-G890 WeakPolarHBondContact O-CA 3.24Å; R869-S891 PolarHBondContact O-N 2.83Å; R869-S891 VanDerWaalsContact O-N 3.15Å; R869-K892 PolarHBondContact O-N 2.63Å
870	I	92.1	Very high	85.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-82.8	-37.5	172.1	-64.4	170.6	0	0	0	110	V806 L865 E868 G890 K892 S893 L896 I901 I903	V806-I870 HydrophobicContact CG2-CG2 3.73Å; L865-I870 HydrophobicContact CB-CB 4.42Å; L865-I870 HydrophobicContact CD2-CB 4.47Å; L865-I870 HydrophobicContact CD2-CD1 4.03Å; L865-I870 HydrophobicContact CD2-CG2 4.25Å; L865-I870 WeakPolarHBondContact O-CA 3.37Å; L865-I870 WeakPolarHBondContact O-CB 3.33Å; L865-I870 PolarHBondContact O-N 2.98Å; E868-I870 VanDerWaalsContact C-N 3.28Å; E868-I870 HydrophobicContact CB-CD1 3.99Å; E868-I870 HydrophobicContact CB-CG1 4.11Å; E868-I870 PolarHBondContact O-N 3.34Å; E868-I870 WeakPolarHBondContact OE2-CD1 3.42Å; I870-G890 WeakPolarHBondContact O-CA 3.24Å; I870-G890 PolarHBondContact O-N 3.07Å; I870-K892 HydrophobicContact CG1-CB 3.85Å; I870-S893 WeakPolarHBondContact O-CB 3.27Å; I870-L896 HydrophobicContact CD1-CD2 4.39Å; I870-L896 HydrophobicContact CG2-CB 4.26Å; I870-L896 HydrophobicContact CG2-CD2 3.67Å; I870-I901 HydrophobicContact CD1-CG2 4.23Å; I870-I903 HydrophobicContact CD1-CD1 3.36Å; I870-I903 HydrophobicContact CD1-CG1 4.45Å
871	L	92.7	Very high	85.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	165.4	161.3	-62	176.1	0	0	0	108.5	I805 V806 V809 L862 L865 V866 R869 V887 R888 L889	I805-L871 HydrophobicContact CG2-CD1 4.29Å; V806-L871 HydrophobicContact CG2-CD2 4.05Å; V809-L871 HydrophobicContact CB-CD2 4.17Å; V809-L871 HydrophobicContact CG1-CD2 4.07Å; V809-L871 HydrophobicContact CG2-CD2 4.02Å; L862-L871 HydrophobicContact CD1-CD1 3.91Å; L865-L871 HydrophobicContact CB-CB 4.42Å; L865-L871 HydrophobicContact CB-CD1 3.82Å; L865-L871 HydrophobicContact CB-CG 3.97Å; L865-L871 HydrophobicContact CD1-CD1 4.08Å; L865-L871 PolarHBondContact O-N 3.22Å; V866-L871 HydrophobicContact CG2-CB 3.96Å; R869-L871 CarbonylContact C-O 3.49Å; L871-V887 HydrophobicContact CB-CG1 4.23Å; L871-V887 HydrophobicContact CD1-CG1 3.93Å; L871-V887 HydrophobicContact CD2-CG1 4.25Å; L871-V887 HydrophobicContact CG-CG1 4.37Å; L871-R888 CarbonylContact C-O 3.43Å; L871-R888 VanDerWaalsContact CA-O 3.27Å; L871-R888 WeakPolarHBondContact CA-O 3.36Å; L871-R888 WeakPolarHBondContact CD2-O 3.24Å; L871-L889 HydrophobicContact CD2-CD2 4.49Å
872	Y	89.7	Confident	84.4	Confident	95 Å²	95	50.4 Å²	50.4	37%	0.373	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	160.3	159.4	76.4	-89.2	0	0	0	109.9	E874 V887 R888 L889	Y872-E874 HydrophobicContact CE2-CB 3.96Å; Y872-V887 WeakPolarHBondContact O-CA 3.34Å; Y872-R888 HydrophobicContact CD1-CB 3.62Å; Y872-R888 HydrophobicContact CD2-CB 4.14Å; Y872-R888 HydrophobicContact CD2-CG 4.43Å; Y872-R888 HydrophobicContact CE1-CB 3.26Å; Y872-R888 HydrophobicContact CE1-CG 4.08Å; Y872-R888 HydrophobicContact CE2-CB 3.82Å; Y872-R888 HydrophobicContact CE2-CG 3.82Å; Y872-R888 HydrophobicContact CG-CB 4.05Å; Y872-R888 PolarHBondContact N-O 3.43Å; Y872-R888 PolarHBondContact O-N 2.78Å; Y872-L889 VanDerWaalsContact CD1-O 3.23Å; Y872-L889 WeakPolarHBondContact CD1-O 3.41Å; Y872-L889 WeakPolarHBondContact CE1-O 3.42Å
873	E	87	Confident	83.7	Confident	5 Å²	5	52.1 Å²	52.1	2%	0.023	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.2	168.5	-32.3	154.6	118.1	0	0	109.3	W713 R720 V821 V866 A885 Y886	W713-E873 PolarHBondContact NE1-OE1 3.16Å; R720-E873 IonicContact CZ-OE2 3.88Å; R720-E873 PolarHBondContact NH1-O 2.93Å; R720-E873 IonicContact NH1-OE2 3.72Å; R720-E873 PolarHBondContact NH1-OE2 3.06Å; R720-E873 PolarHBondContact NH2-O 2.95Å; V821-E873 HydrophobicContact CG2-CG 4.4Å; V866-E873 HydrophobicContact CG1-CG 4.03Å; V866-E873 HydrophobicContact CG2-CG 4.06Å; E873-A885 HydrophobicContact CB-CB 3.87Å; E873-A885 HydrophobicContact CG-CB 4.4Å; E873-Y886 CarbonylContact C-O 3.53Å; E873-Y886 VanDerWaalsContact CA-O 3.29Å; E873-Y886 WeakPolarHBondContact CA-O 3.44Å
874	E	86.2	Confident	83.5	Confident	83 Å²	83	53.3 Å²	53.3	39%	0.388	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.5	168.2	-173.3	-179	176.7	0	0	108.9	Y872 A885 Y886 R888	Y872-E874 HydrophobicContact CE2-CB 3.96Å; E874-A885 WeakPolarHBondContact O-CA 3.44Å; E874-Y886 PolarHBondContact N-O 3.17Å; E874-Y886 PolarHBondContact O-N 2.89Å; E874-R888 HydrophobicContact CB-CG 4.06Å; E874-R888 IonicContact OE2-CZ 2.64Å; E874-R888 IonicContact OE2-NE 2.75Å; E874-R888 PolarHBondContact OE2-NE 3.43Å; E874-R888 IonicContact OE2-NH2 3.87Å; E874-R888 PolarHBondContact OE2-NH2 2.86Å
875	L	83.9	Confident	83.4	Confident	33 Å²	33	51.9 Å²	51.9	17%	0.173	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119.7	178.6	-60.5	-168	0	0	0	110	V717 R720 K721 V883 A885	V717-L875 HydrophobicContact CG1-CD2 4.08Å; R720-L875 HydrophobicContact CB-CD1 3.88Å; K721-L875 HydrophobicContact CB-CD1 4.47Å; L875-V883 HydrophobicContact CB-CG1 3.93Å; L875-V883 HydrophobicContact CD1-CG1 4.29Å; L875-V883 HydrophobicContact CD2-CG1 4.12Å; L875-V883 HydrophobicContact CG-CG1 4.34Å; L875-A885 HydrophobicContact CD2-CB 3.77Å
876	A	81.7	Confident	83.3	Confident	30 Å²	30	54 Å²	54	25%	0.248	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.5	175.1	0	0	0	0	0	110.6	V883 V884 Y886	A876-V883 WeakPolarHBondContact O-CA 3.39Å; A876-V884 PolarHBondContact N-O 3.19Å; A876-V884 PolarHBondContact O-N 3.11Å; A876-Y886 HydrophobicContact CB-CD2 3.86Å; A876-Y886 HydrophobicContact CB-CE2 3.68Å
877	V	79.2	Confident	83.4	Confident	93 Å²	93	54.2 Å²	54.2	56%	0.564	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	124	169.6	-172.9	0	0	0	0	108.4	D881 V883	V877-D881 WeakPolarHBondContact CG1-OD1 3.48Å; V877-V883 HydrophobicContact CG2-CG2 3.9Å
878	T	80.6	Confident	83.9	Confident	43 Å²	43	54.9 Å²	54.9	26%	0.264	28%	0.277	S	S	.	.			trans	-81.6	167.5	174.1	63.4	0	0	0	0	111.4	L880 D881 H882 V884	T878-L880 PolarHBondContact O-N 3.37Å; T878-D881 PolarHBondContact O-N 3.24Å; T878-H882 WeakPolarHBondContact CB-O 3.35Å; T878-H882 WeakPolarHBondContact CG2-O 3.1Å; T878-H882 PolarHBondContact N-O 2.81Å; T878-H882 PolarHBondContact OG1-N 3.35Å; T878-H882 PolarHBondContact OG1-O 2.83Å; T878-V884 HydrophobicContact CG2-CB 4.47Å; T878-V884 HydrophobicContact CG2-CG2 3.67Å
879	Q	76	Confident	84.2	Confident	199 Å²	199	55.6 Å²	55.6	93%	0.93	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-9.9	175.4	-67	174.9	-15.3	0	0	114.5
880	L	77	Confident	84.2	Confident	114 Å²	114	53.7 Å²	53.7	60%	0.597	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	16.3	175.3	-59.2	176.2	0	0	0	112.5	T878 H882	T878-L880 PolarHBondContact O-N 3.37Å; L880-H882 PolarHBondContact O-CD2 2.94Å; L880-H882 PolarHBondContact O-N 3.46Å
881	D	69.9	Low	84.2	Confident	91 Å²	91	58.7 Å²	58.7	49%	0.487	31%	0.311	S	S	.	.	S	Bend	trans	56.2	3.4	-174.5	-160.2	7.4	0	0	0	115.6	K721 V877 T878 V883	K721-D881 PolarHBondContact NZ-O 2.99Å; K721-D881 IonicContact NZ-OD1 3.41Å; K721-D881 PolarHBondContact NZ-OD1 3.49Å; K721-D881 VanDerWaalsContact NZ-OD1 3.07Å; V877-D881 WeakPolarHBondContact CG1-OD1 3.48Å; T878-D881 PolarHBondContact O-N 3.24Å; D881-V883 PolarHBondContact O-N 2.69Å
882	H	73.7	Confident	84.1	Confident	117 Å²	117	63.4 Å²	63.4	54%	0.542	33%	0.331	S	S	.	.			trans	-65.9	129.9	165.6	-56.9	163.2	0	0	0	109.1	T878 L880	T878-H882 WeakPolarHBondContact CB-O 3.35Å; T878-H882 WeakPolarHBondContact CG2-O 3.1Å; T878-H882 PolarHBondContact N-O 2.81Å; T878-H882 PolarHBondContact OG1-N 3.35Å; T878-H882 PolarHBondContact OG1-O 2.83Å; L880-H882 PolarHBondContact O-CD2 2.94Å; L880-H882 PolarHBondContact O-N 3.46Å
883	V	75.1	Confident	84.1	Confident	37 Å²	37	59.4 Å²	59.4	22%	0.224	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	132.9	173.1	166.1	0	0	0	0	110.5	K721 L875 A876 V877 D881	K721-V883 HydrophobicContact CD-CB 4.26Å; K721-V883 HydrophobicContact CD-CG2 3.52Å; K721-V883 VanDerWaalsContact CE-CG2 3.47Å; K721-V883 HydrophobicContact CG-CG2 4.06Å; L875-V883 HydrophobicContact CB-CG1 3.93Å; L875-V883 HydrophobicContact CD1-CG1 4.29Å; L875-V883 HydrophobicContact CD2-CG1 4.12Å; L875-V883 HydrophobicContact CG-CG1 4.34Å; A876-V883 WeakPolarHBondContact O-CA 3.39Å; V877-V883 HydrophobicContact CG2-CG2 3.9Å; D881-V883 PolarHBondContact O-N 2.69Å
884	V	82.2	Confident	84.3	Confident	39 Å²	39	63.3 Å²	63.3	24%	0.236	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.8	175.4	179.9	0	0	0	0	108.9	T820 A876 T878 Y886	T820-V884 HydrophobicContact CG2-CG1 3.74Å; A876-V884 PolarHBondContact N-O 3.19Å; A876-V884 PolarHBondContact O-N 3.11Å; T878-V884 HydrophobicContact CG2-CB 4.47Å; T878-V884 HydrophobicContact CG2-CG2 3.67Å; V884-Y886 HydrophobicContact CB-CE1 4.43Å; V884-Y886 HydrophobicContact CB-CE2 4.43Å; V884-Y886 HydrophobicContact CG1-CD1 3.97Å; V884-Y886 HydrophobicContact CG1-CE1 3.45Å; V884-Y886 VanDerWaalsContact CG1-CE1 3.45Å; V884-Y886 HydrophobicContact CG1-CE2 4.24Å
885	A	85	Confident	84.4	Confident	14 Å²	14	60 Å²	60	12%	0.116	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	112.6	179	0	0	0	0	0	110.1	V717 T820 E873 E874 L875	V717-A885 HydrophobicContact CG1-CB 4.13Å; V717-A885 HydrophobicContact CG2-CB 4.36Å; T820-A885 WeakPolarHBondContact CG2-O 3.25Å; E873-A885 HydrophobicContact CB-CB 3.87Å; E873-A885 HydrophobicContact CG-CB 4.4Å; E874-A885 WeakPolarHBondContact O-CA 3.44Å; L875-A885 HydrophobicContact CD2-CB 3.77Å
886	Y	90.5	Very high	84.6	Confident	44 Å²	44	58.4 Å²	58.4	17%	0.173	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132.3	179.7	-64.1	-54.1	0	0	0	111.6	N818 V819 T820 E873 E874 A876 V884	N818-Y886 HydrophobicContact CB-CD1 3.72Å; N818-Y886 HydrophobicContact CB-CD2 4.1Å; N818-Y886 HydrophobicContact CB-CE1 3.72Å; N818-Y886 HydrophobicContact CB-CE2 4.08Å; N818-Y886 HydrophobicContact CB-CG 3.91Å; V819-Y886 CarbonylContact O-C 3.42Å; V819-Y886 WeakPolarHBondContact O-CA 3.43Å; T820-Y886 HydrophobicContact CG2-CD1 3.86Å; T820-Y886 HydrophobicContact CG2-CE1 3.96Å; E873-Y886 CarbonylContact C-O 3.53Å; E873-Y886 VanDerWaalsContact CA-O 3.29Å; E873-Y886 WeakPolarHBondContact CA-O 3.44Å; E874-Y886 PolarHBondContact N-O 3.17Å; E874-Y886 PolarHBondContact O-N 2.89Å; A876-Y886 HydrophobicContact CB-CD2 3.86Å; A876-Y886 HydrophobicContact CB-CE2 3.68Å; V884-Y886 HydrophobicContact CB-CE1 4.43Å; V884-Y886 HydrophobicContact CB-CE2 4.43Å; V884-Y886 HydrophobicContact CG1-CD1 3.97Å; V884-Y886 HydrophobicContact CG1-CE1 3.45Å; V884-Y886 VanDerWaalsContact CG1-CE1 3.45Å; V884-Y886 HydrophobicContact CG1-CE2 4.24Å
887	V	91.2	Very high	85	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.024	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	138.5	-172.5	-175.4	0	0	0	0	111.4	V809 V819 V821 L824 L871 Y872	V809-V887 HydrophobicContact CG1-CG1 4.14Å; V809-V887 HydrophobicContact CG2-CG1 3.98Å; V819-V887 PolarHBondContact O-N 2.78Å; V821-V887 HydrophobicContact CB-CG2 4.37Å; V821-V887 HydrophobicContact CG2-CG2 3.52Å; L824-V887 HydrophobicContact CD1-CB 3.92Å; L824-V887 HydrophobicContact CD1-CG1 3.79Å; L824-V887 HydrophobicContact CD1-CG2 3.94Å; L871-V887 HydrophobicContact CB-CG1 4.23Å; L871-V887 HydrophobicContact CD1-CG1 3.93Å; L871-V887 HydrophobicContact CD2-CG1 4.25Å; L871-V887 HydrophobicContact CG-CG1 4.37Å; Y872-V887 WeakPolarHBondContact O-CA 3.34Å
888	R	92.9	Very high	85.5	Confident	32 Å²	32	61.6 Å²	61.6	12%	0.121	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	167.7	-176.6	-59.1	-62.2	-173.4	-126.3	-1.7	110.8	N818 L871 Y872 E874	N818-R888 PolarHBondContact OD1-NH1 2.83Å; N818-R888 PolarHBondContact OD1-NH2 2.8Å; L871-R888 CarbonylContact C-O 3.43Å; L871-R888 VanDerWaalsContact CA-O 3.27Å; L871-R888 WeakPolarHBondContact CA-O 3.36Å; L871-R888 WeakPolarHBondContact CD2-O 3.24Å; Y872-R888 HydrophobicContact CD1-CB 3.62Å; Y872-R888 HydrophobicContact CD2-CB 4.14Å; Y872-R888 HydrophobicContact CD2-CG 4.43Å; Y872-R888 HydrophobicContact CE1-CB 3.26Å; Y872-R888 HydrophobicContact CE1-CG 4.08Å; Y872-R888 HydrophobicContact CE2-CB 3.82Å; Y872-R888 HydrophobicContact CE2-CG 3.82Å; Y872-R888 HydrophobicContact CG-CB 4.05Å; Y872-R888 PolarHBondContact N-O 3.43Å; Y872-R888 PolarHBondContact O-N 2.78Å; E874-R888 HydrophobicContact CB-CG 4.06Å; E874-R888 IonicContact OE2-CZ 2.64Å; E874-R888 IonicContact OE2-NE 2.75Å; E874-R888 PolarHBondContact OE2-NE 3.43Å; E874-R888 IonicContact OE2-NH2 3.87Å; E874-R888 PolarHBondContact OE2-NH2 2.86Å
889	L	92.9	Very high	85.7	Confident	50 Å²	50	61.7 Å²	61.7	26%	0.262	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	121.3	175.4	-60.4	177.2	0	0	0	110.9	V806 V809 E810 L871 Y872	V806-L889 HydrophobicContact CG1-CD2 3.87Å; V809-L889 HydrophobicContact CB-CD2 4.24Å; V809-L889 HydrophobicContact CG1-CD2 3.99Å; V809-L889 HydrophobicContact CG1-CG 4.42Å; E810-L889 HydrophobicContact CB-CD1 3.91Å; E810-L889 HydrophobicContact CB-CD2 4.18Å; E810-L889 HydrophobicContact CG-CD1 3.91Å; L871-L889 HydrophobicContact CD2-CD2 4.49Å; Y872-L889 VanDerWaalsContact CD1-O 3.23Å; Y872-L889 WeakPolarHBondContact CD1-O 3.41Å; Y872-L889 WeakPolarHBondContact CE1-O 3.42Å
890	G	89.5	Confident	86.1	Confident	5 Å²	5	56.8 Å²	56.8	5%	0.052	33%	0.328	C	S	.	.			trans	-80.3	166.7	175.2	0	0	0	0	0	112.7	R869 I870 K892 S893	R869-G890 CarbonylContact O-C 3.5Å; R869-G890 VanDerWaalsContact O-CA 3.26Å; R869-G890 WeakPolarHBondContact O-CA 3.24Å; I870-G890 WeakPolarHBondContact O-CA 3.24Å; I870-G890 PolarHBondContact O-N 3.07Å; G890-K892 PolarHBondContact O-N 3.31Å; G890-K892 VanDerWaalsContact O-N 3.14Å; G890-S893 VanDerWaalsContact O-CB 3.25Å; G890-S893 WeakPolarHBondContact O-CB 3.36Å; G890-S893 PolarHBondContact O-N 3.49Å; G890-S893 PolarHBondContact O-OG 3.01Å
891	S	90.3	Very high	86.5	Confident	105 Å²	105	53.1 Å²	53.1	73%	0.734	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21	-177.8	51.7	0	0	0	0	114.2	R869	R869-S891 PolarHBondContact O-N 2.83Å; R869-S891 VanDerWaalsContact O-N 3.15Å
892	K	91	Very high	87.4	Confident	98 Å²	98	56.1 Å²	56.1	43%	0.426	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	2.4	175.1	-60.2	-161.1	-165.1	171	0	114.7	E868 R869 I870 G890 T894 G895 L896 I901	E868-K892 VanDerWaalsContact O-CD 3.32Å; E868-K892 WeakPolarHBondContact O-CD 3.5Å; R869-K892 PolarHBondContact O-N 2.63Å; I870-K892 HydrophobicContact CG1-CB 3.85Å; G890-K892 PolarHBondContact O-N 3.31Å; G890-K892 VanDerWaalsContact O-N 3.14Å; K892-T894 VanDerWaalsContact C-N 3.3Å; K892-T894 PolarHBondContact O-N 2.88Å; K892-G895 PolarHBondContact O-N 3.04Å; K892-G895 VanDerWaalsContact O-N 3.16Å; K892-L896 PolarHBondContact O-N 2.86Å; K892-I901 HydrophobicContact CB-CD1 3.77Å; K892-I901 HydrophobicContact CD-CD1 4.01Å; K892-I901 HydrophobicContact CG-CD1 4.39Å
893	S	90.9	Very high	88.1	Confident	12 Å²	12	50.6 Å²	50.6	8%	0.084	29%	0.292	C	S	.	.	H	α-helix	trans	-55.4	-43.5	178	53.4	0	0	0	0	112.7	I870 G890 L896 L897	I870-S893 WeakPolarHBondContact O-CB 3.27Å; G890-S893 VanDerWaalsContact O-CB 3.25Å; G890-S893 WeakPolarHBondContact O-CB 3.36Å; G890-S893 PolarHBondContact O-N 3.49Å; G890-S893 PolarHBondContact O-OG 3.01Å; S893-L896 PolarHBondContact O-N 3.36Å; S893-L897 VanDerWaalsContact O-CG 3.31Å; S893-L897 WeakPolarHBondContact O-CG 3.46Å; S893-L897 PolarHBondContact O-N 2.85Å
894	T	90.1	Very high	88.6	Confident	87 Å²	87	49.9 Å²	49.9	53%	0.534	29%	0.288	S	S	.	.	H	α-helix	trans	-63.4	-39.1	176.5	50.5	0	0	0	0	112.9	K892 L897 N898	K892-T894 VanDerWaalsContact C-N 3.3Å; K892-T894 PolarHBondContact O-N 2.88Å; T894-L897 PolarHBondContact O-N 2.96Å; T894-N898 VanDerWaalsContact O-CB 3.32Å; T894-N898 WeakPolarHBondContact O-CB 3.46Å; T894-N898 PolarHBondContact O-N 3.01Å; T894-N898 PolarHBondContact O-OD1 2.99Å
895	G	88.6	Confident	88.6	Confident	12 Å²	12	48.3 Å²	48.3	12%	0.124	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-42.1	176	0	0	0	0	0	112.8	K892 N898 G899 S900 I901	K892-G895 PolarHBondContact O-N 3.04Å; K892-G895 VanDerWaalsContact O-N 3.16Å; G895-N898 PolarHBondContact O-N 2.86Å; G895-G899 PolarHBondContact O-N 2.97Å; G895-S900 WeakPolarHBondContact CA-OG 3.24Å; G895-S900 PolarHBondContact O-N 2.81Å; G895-S900 PolarHBondContact O-OG 2.86Å; G895-S900 VanDerWaalsContact O-OG 3.09Å; G895-I901 PolarHBondContact O-N 3.45Å
896	L	88.8	Confident	88	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.9	-44.2	172.9	177.6	63.6	0	0	0	111.9	T799 A802 I803 V806 I870 K892 S893 N898 G899 I901 I903	T799-L896 HydrophobicContact CG2-CD1 3.67Å; A802-L896 HydrophobicContact CB-CD2 3.73Å; I803-L896 HydrophobicContact CG1-CD1 4.06Å; I803-L896 HydrophobicContact CG1-CD2 4.36Å; I803-L896 HydrophobicContact CG1-CG 3.85Å; V806-L896 HydrophobicContact CG2-CD2 4.01Å; I870-L896 HydrophobicContact CD1-CD2 4.39Å; I870-L896 HydrophobicContact CG2-CB 4.26Å; I870-L896 HydrophobicContact CG2-CD2 3.67Å; K892-L896 PolarHBondContact O-N 2.86Å; S893-L896 PolarHBondContact O-N 3.36Å; L896-N898 VanDerWaalsContact C-N 3.28Å; L896-N898 PolarHBondContact O-N 2.83Å; L896-G899 PolarHBondContact O-N 2.88Å; L896-G899 VanDerWaalsContact O-N 3.09Å; L896-I901 HydrophobicContact CB-CB 4.47Å; L896-I901 WeakPolarHBondContact CD1-O 3.46Å; L896-I903 HydrophobicContact CD1-CD1 4.24Å; L896-I903 HydrophobicContact CD1-CG1 3.85Å; L896-I903 HydrophobicContact CD2-CG1 4.43Å
897	L	89.9	Confident	87.2	Confident	52 Å²	52	47.8 Å²	47.8	27%	0.272	28%	0.278	S	S	.	.	H	α-helix	trans	-65.4	-31.1	179.3	-69.6	172.4	0	0	0	113	I803 V806 R807 S893 T894 G899	I803-L897 HydrophobicContact CG2-CD2 4.14Å; V806-L897 HydrophobicContact CG1-CD1 4.05Å; V806-L897 HydrophobicContact CG1-CD2 4.17Å; V806-L897 HydrophobicContact CG1-CG 4.1Å; R807-L897 HydrophobicContact CG-CD2 3.92Å; S893-L897 VanDerWaalsContact O-CG 3.31Å; S893-L897 WeakPolarHBondContact O-CG 3.46Å; S893-L897 PolarHBondContact O-N 2.85Å; T894-L897 PolarHBondContact O-N 2.96Å; L897-G899 VanDerWaalsContact C-N 3.31Å
898	N	89.1	Confident	85.9	Confident	138 Å²	138	50.2 Å²	50.2	74%	0.738	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	0.2	174.9	-66.1	2.7	0	0	0	113.1	T894 G895 L896 S900	T894-N898 VanDerWaalsContact O-CB 3.32Å; T894-N898 WeakPolarHBondContact O-CB 3.46Å; T894-N898 PolarHBondContact O-N 3.01Å; T894-N898 PolarHBondContact O-OD1 2.99Å; G895-N898 PolarHBondContact O-N 2.86Å; L896-N898 VanDerWaalsContact C-N 3.28Å; L896-N898 PolarHBondContact O-N 2.83Å; N898-S900 VanDerWaalsContact C-N 3.33Å; N898-S900 PolarHBondContact O-N 3.01Å
899	G	84.9	Confident	84.5	Confident	46 Å²	46	52.2 Å²	52.2	47%	0.474	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	7.1	178.1	0	0	0	0	0	116	G895 L896 L897 I901	G895-G899 PolarHBondContact O-N 2.97Å; L896-G899 PolarHBondContact O-N 2.88Å; L896-G899 VanDerWaalsContact O-N 3.09Å; L897-G899 VanDerWaalsContact C-N 3.31Å; G899-I901 PolarHBondContact O-N 2.56Å
900	S	85.2	Confident	82.7	Confident	96 Å²	96	54.8 Å²	54.8	67%	0.671	33%	0.327	S	S	*	.	S	Bend	trans	-78.4	-6.9	177.6	70.7	0	0	0	0	113.8	G895 N898	G895-S900 WeakPolarHBondContact CA-OG 3.24Å; G895-S900 PolarHBondContact O-N 2.81Å; G895-S900 PolarHBondContact O-OG 2.86Å; G895-S900 VanDerWaalsContact O-OG 3.09Å; N898-S900 VanDerWaalsContact C-N 3.33Å; N898-S900 PolarHBondContact O-N 3.01Å
901	I	85.8	Confident	80.7	Confident	36 Å²	36	60 Å²	60	19%	0.185	35%	0.354	C	S	.	.			trans	-125.7	132.4	175.8	-52.1	177.6	0	0	0	108.6	I870 K892 G895 L896 G899 I903	I870-I901 HydrophobicContact CD1-CG2 4.23Å; K892-I901 HydrophobicContact CB-CD1 3.77Å; K892-I901 HydrophobicContact CD-CD1 4.01Å; K892-I901 HydrophobicContact CG-CD1 4.39Å; G895-I901 PolarHBondContact O-N 3.45Å; L896-I901 HydrophobicContact CB-CB 4.47Å; L896-I901 WeakPolarHBondContact CD1-O 3.46Å; G899-I901 PolarHBondContact O-N 2.56Å; I901-I903 HydrophobicContact CG2-CD1 3.82Å
902	K	88.7	Confident	78.3	Confident	155 Å²	155	66.6 Å²	66.6	67%	0.674	36%	0.362	S	S	*	.			trans	-114.1	136.1	171.8	-66.3	-166.4	177.1	-167.6	0	110.7	T799	T799-K902 WeakPolarHBondContact OG1-CA 3.17Å
903	I	87.6	Confident	75.8	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.005	38%	0.375	C	S	.	.			trans	-107.2	120.5	-177	-43.9	-58.8	0	0	0	108.7	V798 T799 A802 L861 L865 E868 I870 L896 I901	V798-I903 HydrophobicContact CG2-CB 4.01Å; V798-I903 HydrophobicContact CG2-CG2 3.7Å; V798-I903 WeakPolarHBondContact CG2-O 3.46Å; V798-I903 PolarHBondContact N-O 3.37Å; T799-I903 PolarHBondContact N-O 3.06Å; T799-I903 PolarHBondContact OG1-N 3.4Å; T799-I903 PolarHBondContact OG1-O 3.01Å; A802-I903 HydrophobicContact CB-CB 4.36Å; A802-I903 HydrophobicContact CB-CG1 3.86Å; L861-I903 HydrophobicContact CD1-CG2 4.28Å; L865-I903 HydrophobicContact CD2-CD1 4.19Å; L865-I903 HydrophobicContact CD2-CG1 4.06Å; L865-I903 HydrophobicContact CD2-CG2 4.22Å; E868-I903 VanDerWaalsContact OE2-CD1 3.25Å; E868-I903 WeakPolarHBondContact OE2-CD1 3.35Å; I870-I903 HydrophobicContact CD1-CD1 3.36Å; I870-I903 HydrophobicContact CD1-CG1 4.45Å; L896-I903 HydrophobicContact CD1-CD1 4.24Å; L896-I903 HydrophobicContact CD1-CG1 3.85Å; L896-I903 HydrophobicContact CD2-CG1 4.43Å; I901-I903 HydrophobicContact CG2-CD1 3.82Å
904	T	86.3	Confident	73	Confident	22 Å²	22	69.7 Å²	69.7	14%	0.135	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.2	170.4	64.4	0	0	0	0	110.4	W340 R796	W340-T904 WeakPolarHBondContact CH2-O 3.34Å; R796-T904 CarbonylContact O-C 3.42Å; R796-T904 VanDerWaalsContact O-CA 3.27Å; R796-T904 WeakPolarHBondContact O-CA 3.49Å
905	L	81.3	Confident	70.3	Confident	5 Å²	5	74.9 Å²	74.9	3%	0.026	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.9	174.5	-169.9	73.2	0	0	0	109.6	R796 V798 Y853 D857 R860 L861 V907	R796-L905 PolarHBondContact N-O 2.8Å; R796-L905 PolarHBondContact O-N 3.39Å; V798-L905 HydrophobicContact CG1-CB 4.05Å; V798-L905 HydrophobicContact CG2-CB 4.01Å; Y853-L905 HydrophobicContact CD1-CD2 4.46Å; Y853-L905 HydrophobicContact CE1-CD2 4.23Å; D857-L905 HydrophobicContact CB-CD2 4.14Å; R860-L905 HydrophobicContact CB-CD1 4.18Å; L861-L905 HydrophobicContact CB-CD2 4.43Å; L905-V907 HydrophobicContact CD2-CG2 4.38Å; L905-V907 PolarHBondContact O-N 3.41Å
906	P	73.1	Confident	67.5	Low	9 Å²	9	80 Å²	80	6%	0.058	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	114.1	177.9	31.7	-24.3	0	0	0	109.5	W340 I754 R860	W340-P906 HydrophobicContact CH2-CG 3.92Å; W340-P906 HydrophobicContact CZ2-CB 4.02Å; W340-P906 HydrophobicContact CZ2-CG 3.72Å; I754-P906 HydrophobicContact CD1-CB 3.52Å; I754-P906 HydrophobicContact CD1-CG 4.28Å; I754-P906 HydrophobicContact CG1-CB 4.34Å; R860-P906 PolarHBondContact NH1-O 3.38Å; R860-P906 VanDerWaalsContact NH1-O 3.08Å
907	V	72.7	Confident	64.8	Low	38 Å²	38	89 Å²	89	23%	0.23	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.1	-177.4	-175.7	0	0	0	0	109	E794 R796 L905 I909	E794-V907 PolarHBondContact N-O 3.09Å; E794-V907 PolarHBondContact O-N 3.1Å; R796-V907 HydrophobicContact CB-CG2 4.24Å; L905-V907 HydrophobicContact CD2-CG2 4.38Å; L905-V907 PolarHBondContact O-N 3.41Å; V907-I909 PolarHBondContact O-N 3.21Å
908	S	65	Low	62	Low	56 Å²	56	92.8 Å²	92.8	39%	0.392	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	116.7	-179.4	60.9	0	0	0	0	111.3
909	I	63.6	Low	59.3	Low	74 Å²	74	93.7 Å²	93.7	38%	0.379	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.7	174.2	-58	-178.5	0	0	0	108.8	R792 E794 V907 N911	R792-I909 PolarHBondContact O-N 3.29Å; E794-I909 HydrophobicContact CB-CD1 3.8Å; E794-I909 HydrophobicContact CB-CG1 4.38Å; E794-I909 VanDerWaalsContact OE2-CD1 3.26Å; E794-I909 WeakPolarHBondContact OE2-CD1 3.31Å; V907-I909 PolarHBondContact O-N 3.21Å; I909-N911 PolarHBondContact O-N 3.13Å
910	P	53.6	Low	56.8	Low	103 Å²	103	98.2 Å²	98.2	67%	0.669	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-70.5	121.4	173.7	28.8	-32.9	0	0	0	109.9	R912	P910-R912 PolarHBondContact O-N 3.16Å
911	N	48.4	Very low	54.2	Low	115 Å²	115	99.8 Å²	99.8	62%	0.615	56%	0.556	S	S	*	*			trans	-71	114.8	-173.5	-148	19.5	0	0	0	110.7	I909 S913	I909-N911 PolarHBondContact O-N 3.13Å; N911-S913 PolarHBondContact O-N 3.43Å
912	R	38.8	Very low	51.6	Low	243 Å²	243	100.7 Å²	100.7	92%	0.917	58%	0.575	S	S	*	*			trans	-91.9	44.8	-171.8	-83	-168.8	170.2	-166.1	-0.3	114.4	P910	P910-R912 PolarHBondContact O-N 3.16Å
913	S	39	Very low	49	Very low	100 Å²	100	103 Å²	103	70%	0.699	58%	0.579	S	S	*	*			trans	-170.9	143.1	170.7	54	0	0	0	0	111.8	N911	N911-S913 PolarHBondContact O-N 3.43Å
914	G	32.1	Very low	46.6	Very low	76 Å²	76	108 Å²	108	78%	0.784	61%	0.611	S	S	*	*			trans	128	81.8	164.3	0	0	0	0	0	115.7
915	Q	34.8	Very low	44.3	Very low	196 Å²	196	112.9 Å²	112.9	92%	0.916	64%	0.644	S	S	*	*			trans	41.5	138.6	151.3	-66.2	177.7	-9.8	0	0	121.8
916	S	29.5	Very low	42.6	Very low	118 Å²	118	120 Å²	120	83%	0.825	68%	0.677	S	S	*	*			trans	-87.2	130.8	168.4	52.3	0	0	0	0	111.6
917	E	32.1	Very low	42.2	Very low	191 Å²	191	123.4 Å²	123.4	89%	0.893	69%	0.694	S	S	*	*			trans	-106.1	155	168.9	-70.4	-162.4	126	0	0	112.8
918	T	30.5	Very low	42.1	Very low	131 Å²	131	128.3 Å²	128.3	80%	0.804	71%	0.709	S	S	*	*			trans	-87.6	138	-170.3	46.5	0	0	0	0	113.3	V920	T918-V920 PolarHBondContact O-N 2.72Å
919	N	31.3	Very low	42.6	Very low	156 Å²	156	128 Å²	128	83%	0.834	70%	0.699	S	S	*	*			trans	-71	118.4	175.1	-64.9	-60.1	0	0	0	111.7	V921	N919-V921 HydrophobicContact CB-CG2 4.48Å
920	V	32.9	Very low	43	Very low	141 Å²	141	126 Å²	126	86%	0.855	69%	0.694	S	S	*	*			trans	-98.8	111.4	159.5	178.8	0	0	0	0	107.8	T918	T918-V920 PolarHBondContact O-N 2.72Å
921	V	31.8	Very low	44.1	Very low	130 Å²	130	124 Å²	124	79%	0.788	68%	0.683	S	S	*	*			trans	-98.5	116	178.6	179.2	0	0	0	0	109.2	N919	N919-V921 HydrophobicContact CB-CG2 4.48Å
922	G	31.2	Very low	45.6	Very low	55 Å²	55	119.2 Å²	119.2	57%	0.567	66%	0.657	S	S	*	*			trans	-143.6	136.1	167.7	0	0	0	0	0	109.6
923	R	34.1	Very low	47.7	Very low	204 Å²	204	112.2 Å²	112.2	77%	0.77	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-64.1	144.7	159.9	-81.5	-174.1	173.9	-170.4	1.1	108	E926	R923-E926 IonicContact NH1-OE1 3.48Å; R923-E926 PolarHBondContact NH1-OE1 2.73Å
924	P	36.7	Very low	49.6	Very low	105 Å²	105	111.8 Å²	111.8	68%	0.682	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-58.5	142.9	159.6	29.1	-33.7	0	0	0	108.5	E926	P924-E926 PolarHBondContact O-N 2.72Å
925	P	36.8	Very low	52.2	Low	125 Å²	125	112.5 Å²	112.5	81%	0.812	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-60.4	133.7	170.3	26.8	-33.2	0	0	0	108.9	D927	P925-D927 PolarHBondContact O-N 2.69Å
926	E	47.1	Very low	54.7	Low	155 Å²	155	103.2 Å²	103.2	72%	0.724	56%	0.561	S	S	*	*			trans	-73.2	99.6	176.2	-71.2	173.9	-167	0	0	108.4	R923 P924 R928	R923-E926 IonicContact NH1-OE1 3.48Å; R923-E926 PolarHBondContact NH1-OE1 2.73Å; P924-E926 PolarHBondContact O-N 2.72Å; E926-R928 PolarHBondContact O-N 2.81Å
927	D	65.1	Low	57.4	Low	80 Å²	80	99.3 Å²	99.3	43%	0.428	53%	0.528	S	S	.	.			trans	-61.6	104.7	174.3	174.8	10.4	0	0	0	109.7	P925 Y929 A930 S931 R933	P925-D927 PolarHBondContact O-N 2.69Å; D927-Y929 PolarHBondContact O-N 3.03Å; D927-Y929 WeakPolarHBondContact OD1-CA 3.37Å; D927-Y929 VanDerWaalsContact OD1-CB 3.29Å; D927-Y929 WeakPolarHBondContact OD1-CB 3.46Å; D927-Y929 PolarHBondContact OD1-N 2.96Å; D927-A930 HydrophobicContact CB-CB 3.89Å; D927-A930 PolarHBondContact O-N 3.27Å; D927-A930 VanDerWaalsContact O-N 3.09Å; D927-A930 PolarHBondContact OD1-N 3.11Å; D927-A930 VanDerWaalsContact OD2-CB 3.32Å; D927-A930 WeakPolarHBondContact OD2-CB 3.41Å; D927-A930 PolarHBondContact OD2-N 2.85Å; D927-S931 PolarHBondContact O-N 3.46Å; D927-R933 IonicContact OD2-NH2 3.15Å
928	R	69.3	Low	60	Low	141 Å²	141	95.8 Å²	95.8	53%	0.532	51%	0.511	S	S	.	.	H	α-helix	trans	-55.1	-39.6	177.5	-66.5	-177.4	174.9	-164.8	0.3	111.2	E926 A930 S931 V932 E1016	E926-R928 PolarHBondContact O-N 2.81Å; R928-A930 PolarHBondContact O-N 3.46Å; R928-S931 WeakPolarHBondContact O-CB 3.32Å; R928-S931 PolarHBondContact O-N 3.26Å; R928-V932 WeakPolarHBondContact O-CG2 3.47Å; R928-V932 PolarHBondContact O-N 3.1Å; R928-E1016 IonicContact NH1-OE2 3.37Å
929	Y	75.4	Confident	62.7	Low	48 Å²	48	92.8 Å²	92.8	19%	0.188	49%	0.488	C	S	.	.	H	α-helix	trans	-68.7	-32.9	179.1	-66	-87.1	0	0	0	112.6	D927 R933 L1010 K1014 E1017	D927-Y929 PolarHBondContact O-N 3.03Å; D927-Y929 WeakPolarHBondContact OD1-CA 3.37Å; D927-Y929 VanDerWaalsContact OD1-CB 3.29Å; D927-Y929 WeakPolarHBondContact OD1-CB 3.46Å; D927-Y929 PolarHBondContact OD1-N 2.96Å; Y929-R933 WeakPolarHBondContact O-CB 3.5Å; Y929-R933 WeakPolarHBondContact O-CG 3.49Å; Y929-R933 PolarHBondContact O-N 3.13Å; Y929-R933 PolarHBondContact O-NE 3.35Å; Y929-L1010 HydrophobicContact CD1-CD2 3.75Å; Y929-L1010 HydrophobicContact CE1-CD2 4.25Å; Y929-K1014 HydrophobicContact CE1-CG 4.09Å; Y929-K1014 VanDerWaalsContact OH-CG 3.26Å; Y929-K1014 WeakPolarHBondContact OH-CG 3.46Å; Y929-E1017 WeakPolarHBondContact CE2-OE1 3.42Å; Y929-E1017 WeakPolarHBondContact CE2-OE2 3.21Å; Y929-E1017 PolarHBondContact OH-OE2 3.48Å
930	A	73.1	Confident	65.5	Low	33 Å²	33	85.4 Å²	85.4	27%	0.273	45%	0.449	S	S	.	.	H	α-helix	trans	-71.6	-39.5	171.6	0	0	0	0	0	111.4	D927 R928 R933 N934	D927-A930 HydrophobicContact CB-CB 3.89Å; D927-A930 PolarHBondContact O-N 3.27Å; D927-A930 VanDerWaalsContact O-N 3.09Å; D927-A930 PolarHBondContact OD1-N 3.11Å; D927-A930 VanDerWaalsContact OD2-CB 3.32Å; D927-A930 WeakPolarHBondContact OD2-CB 3.41Å; D927-A930 PolarHBondContact OD2-N 2.85Å; R928-A930 PolarHBondContact O-N 3.46Å; A930-R933 PolarHBondContact O-N 2.94Å; A930-N934 PolarHBondContact O-N 2.84Å; A930-N934 PolarHBondContact O-ND2 3.14Å
931	S	76.2	Confident	68	Low	62 Å²	62	79.3 Å²	79.3	43%	0.434	41%	0.412	S	S	.	.	H	α-helix	trans	-58.7	-51	176.8	-166.3	0	0	0	0	111.6	D927 R928 R933 N934 Q935	D927-S931 PolarHBondContact O-N 3.46Å; R928-S931 WeakPolarHBondContact O-CB 3.32Å; R928-S931 PolarHBondContact O-N 3.26Å; S931-R933 PolarHBondContact O-N 3.01Å; S931-N934 PolarHBondContact O-N 3.28Å; S931-Q935 WeakPolarHBondContact O-CG 3.49Å; S931-Q935 PolarHBondContact O-N 2.93Å; S931-Q935 VanDerWaalsContact O-N 3.09Å
932	V	80.4	Confident	70.6	Confident	13 Å²	13	78.1 Å²	78.1	8%	0.079	40%	0.398	C	S	.	.	H	α-helix	trans	-63.8	-39.4	179.6	175.3	0	0	0	0	112.3	R928 N934 Q935 C936 Y1006 I1009 L1010 L1013	R928-V932 WeakPolarHBondContact O-CG2 3.47Å; R928-V932 PolarHBondContact O-N 3.1Å; V932-N934 PolarHBondContact O-N 3.03Å; V932-Q935 PolarHBondContact O-N 3.45Å; V932-C936 PolarHBondContact O-N 3.23Å; V932-Y1006 HydrophobicContact CG1-CD1 3.6Å; V932-Y1006 HydrophobicContact CG1-CE1 4.04Å; V932-Y1006 WeakPolarHBondContact O-CE1 3.29Å; V932-I1009 HydrophobicContact CG1-CB 4.47Å; V932-I1009 HydrophobicContact CG1-CG2 3.84Å; V932-I1009 HydrophobicContact CG2-CG2 4.16Å; V932-L1010 HydrophobicContact CB-CD2 3.87Å; V932-L1010 HydrophobicContact CG1-CD2 3.6Å; V932-L1010 HydrophobicContact CG1-CG 4.03Å; V932-L1010 HydrophobicContact CG2-CD2 4.41Å; V932-L1013 HydrophobicContact CG2-CD1 3.81Å
933	R	81.8	Confident	73.4	Confident	96 Å²	96	76 Å²	76	36%	0.362	38%	0.375	S	S	.	.	H	α-helix	trans	-66.3	-35.1	175.5	-76.1	179.4	-77.8	172.4	-4.2	113.1	D927 Y929 A930 S931 Y937 A969	D927-R933 IonicContact OD2-NH2 3.15Å; Y929-R933 WeakPolarHBondContact O-CB 3.5Å; Y929-R933 WeakPolarHBondContact O-CG 3.49Å; Y929-R933 PolarHBondContact O-N 3.13Å; Y929-R933 PolarHBondContact O-NE 3.35Å; A930-R933 PolarHBondContact O-N 2.94Å; S931-R933 PolarHBondContact O-N 3.01Å; R933-Y937 PolarHBondContact O-N 3.38Å; R933-Y937 VanDerWaalsContact O-N 3.07Å; R933-A969 WeakPolarHBondContact CG-O 3.4Å
934	N	80.6	Confident	75.9	Confident	92 Å²	92	66.3 Å²	66.3	49%	0.492	34%	0.338	S	S	.	.	H	α-helix	trans	-65.5	-40	172.5	-76.2	-66.4	0	0	0	111.8	A930 S931 V932 Y937 E938	A930-N934 PolarHBondContact O-N 2.84Å; A930-N934 PolarHBondContact O-ND2 3.14Å; S931-N934 PolarHBondContact O-N 3.28Å; V932-N934 PolarHBondContact O-N 3.03Å; N934-Y937 PolarHBondContact O-N 3.08Å; N934-E938 WeakPolarHBondContact O-CG 3.31Å; N934-E938 PolarHBondContact O-N 2.89Å
935	Q	84.7	Confident	78.2	Confident	91 Å²	91	63.3 Å²	63.3	43%	0.425	31%	0.314	S	S	.	.	H	α-helix	trans	-64	-44.9	176.1	-67.7	170.8	-13.1	0	0	111.7	S931 V932 Y937 E938 E939 Y1006	S931-Q935 WeakPolarHBondContact O-CG 3.49Å; S931-Q935 PolarHBondContact O-N 2.93Å; S931-Q935 VanDerWaalsContact O-N 3.09Å; V932-Q935 PolarHBondContact O-N 3.45Å; Q935-Y937 VanDerWaalsContact C-N 3.33Å; Q935-Y937 PolarHBondContact O-N 3.1Å; Q935-E938 PolarHBondContact O-N 3.23Å; Q935-E938 VanDerWaalsContact O-N 3.14Å; Q935-E939 PolarHBondContact O-N 3.35Å; Q935-Y1006 HydrophobicContact CB-CE1 3.77Å; Q935-Y1006 WeakPolarHBondContact CB-OH 3.39Å
936	C	87.9	Confident	80.6	Confident	1 Å²	1	63.8 Å²	63.8	1%	0.007	31%	0.306	C	S	.	.	H	α-helix	trans	-55.2	-47.4	173.3	-172.6	0	0	0	0	112	V932 E939 L940 A969 L972 Y1006	V932-C936 PolarHBondContact O-N 3.23Å; C936-E939 PolarHBondContact O-N 3.48Å; C936-L940 WeakPolarHBondContact O-CB 3.44Å; C936-L940 WeakPolarHBondContact O-CG 3.4Å; C936-L940 PolarHBondContact O-N 3.18Å; C936-A969 HydrophobicContact CB-CB 4.22Å; C936-L972 VanDerWaalsContact SG-CD2 3.56Å; C936-Y1006 HydrophobicContact CB-CD1 3.58Å; C936-Y1006 HydrophobicContact CB-CD2 3.77Å; C936-Y1006 HydrophobicContact CB-CE1 3.99Å; C936-Y1006 HydrophobicContact CB-CE2 4.18Å; C936-Y1006 HydrophobicContact CB-CG 3.46Å; C936-Y1006 VanDerWaalsContact CB-CG 3.46Å
937	Y	86.9	Confident	82.6	Confident	36 Å²	36	57.7 Å²	57.7	14%	0.141	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-40.3	176.3	171	-103.8	0	0	0	112.8	R933 N934 Q935 E939 L940 V941 N962 L965 L966	R933-Y937 PolarHBondContact O-N 3.38Å; R933-Y937 VanDerWaalsContact O-N 3.07Å; N934-Y937 PolarHBondContact O-N 3.08Å; Q935-Y937 VanDerWaalsContact C-N 3.33Å; Q935-Y937 PolarHBondContact O-N 3.1Å; Y937-E939 VanDerWaalsContact C-N 3.32Å; Y937-E939 PolarHBondContact O-N 2.93Å; Y937-L940 PolarHBondContact O-N 2.84Å; Y937-V941 HydrophobicContact CD2-CG2 4.12Å; Y937-V941 HydrophobicContact CE1-CG2 4.13Å; Y937-V941 HydrophobicContact CE2-CG2 3.68Å; Y937-V941 WeakPolarHBondContact O-CB 3.47Å; Y937-V941 VanDerWaalsContact O-CG2 3.3Å; Y937-V941 WeakPolarHBondContact O-CG2 3.2Å; Y937-V941 PolarHBondContact O-N 2.78Å; Y937-N962 HydrophobicContact CE2-CB 4.48Å; Y937-N962 PolarHBondContact OH-ND2 2.88Å; Y937-L965 HydrophobicContact CD2-CB 4.12Å; Y937-L965 HydrophobicContact CE2-CB 4Å; Y937-L966 HydrophobicContact CD1-CD2 4.28Å; Y937-L966 HydrophobicContact CD2-CD2 3.6Å; Y937-L966 HydrophobicContact CD2-CG 3.87Å; Y937-L966 HydrophobicContact CE1-CD2 4.3Å; Y937-L966 HydrophobicContact CE2-CD2 3.62Å; Y937-L966 HydrophobicContact CE2-CG 3.57Å; Y937-L966 HydrophobicContact CG-CD2 3.93Å
938	E	85.3	Confident	83.5	Confident	116 Å²	116	54 Å²	54	54%	0.542	26%	0.258	S	S	.	.	H	α-helix	trans	-65.4	-32.3	176.2	-75.7	-174.6	-177.7	0	0	112.7	N934 Q935 Q942	N934-E938 WeakPolarHBondContact O-CG 3.31Å; N934-E938 PolarHBondContact O-N 2.89Å; Q935-E938 PolarHBondContact O-N 3.23Å; Q935-E938 VanDerWaalsContact O-N 3.14Å; E938-Q942 VanDerWaalsContact O-CG 3.31Å; E938-Q942 WeakPolarHBondContact O-CG 3.45Å; E938-Q942 PolarHBondContact O-N 3.42Å; E938-Q942 PolarHBondContact O-NE2 3.12Å
939	E	89.2	Confident	84.2	Confident	69 Å²	69	50 Å²	50	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-74.2	-44.4	171.3	-79.3	-177.3	-136.3	0	0	112.8	Q935 C936 Y937 V941 Q942 A943 I1002 Y1006	Q935-E939 PolarHBondContact O-N 3.35Å; C936-E939 PolarHBondContact O-N 3.48Å; Y937-E939 VanDerWaalsContact C-N 3.32Å; Y937-E939 PolarHBondContact O-N 2.93Å; E939-V941 VanDerWaalsContact C-N 3.28Å; E939-V941 PolarHBondContact O-N 2.86Å; E939-Q942 WeakPolarHBondContact O-CA 3.49Å; E939-Q942 WeakPolarHBondContact O-CB 3.42Å; E939-Q942 PolarHBondContact O-N 2.62Å; E939-A943 PolarHBondContact O-N 2.96Å; E939-I1002 HydrophobicContact CB-CD1 4.36Å; E939-I1002 HydrophobicContact CB-CG2 4.04Å; E939-Y1006 HydrophobicContact CB-CE2 4.48Å; E939-Y1006 HydrophobicContact CG-CE2 4.45Å; E939-Y1006 WeakPolarHBondContact OE1-CE2 3.35Å; E939-Y1006 PolarHBondContact OE1-OH 3.02Å
940	L	90	Very high	84.5	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-58.8	-38.9	175.4	-73.5	170.4	0	0	0	112	C936 Y937 A943 A944 L965 M968 A969 F999 I1002 T1003	C936-L940 WeakPolarHBondContact O-CB 3.44Å; C936-L940 WeakPolarHBondContact O-CG 3.4Å; C936-L940 PolarHBondContact O-N 3.18Å; Y937-L940 PolarHBondContact O-N 2.84Å; L940-A943 PolarHBondContact O-N 2.73Å; L940-A944 WeakPolarHBondContact O-CB 3.42Å; L940-A944 PolarHBondContact O-N 3.34Å; L940-L965 HydrophobicContact CB-CD2 4.42Å; L940-M968 HydrophobicContact CD1-CB 3.67Å; L940-A969 HydrophobicContact CD1-CB 4.08Å; L940-F999 HydrophobicContact CD2-CB 4.38Å; L940-F999 HydrophobicContact CD2-CD1 3.71Å; L940-F999 HydrophobicContact CD2-CE1 4.43Å; L940-F999 HydrophobicContact CD2-CG 4.35Å; L940-I1002 HydrophobicContact CD2-CB 4.1Å; L940-I1002 HydrophobicContact CD2-CD1 4.28Å; L940-I1002 HydrophobicContact CD2-CG2 3.93Å; L940-I1002 HydrophobicContact CG-CG2 3.93Å; L940-T1003 HydrophobicContact CD2-CG2 4.47Å
941	V	85.3	Confident	84.9	Confident	13 Å²	13	55 Å²	55	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-66.3	-34.5	173	167.2	0	0	0	0	112	Y937 E939 K945 Y956 L965	Y937-V941 HydrophobicContact CD2-CG2 4.12Å; Y937-V941 HydrophobicContact CE1-CG2 4.13Å; Y937-V941 HydrophobicContact CE2-CG2 3.68Å; Y937-V941 WeakPolarHBondContact O-CB 3.47Å; Y937-V941 VanDerWaalsContact O-CG2 3.3Å; Y937-V941 WeakPolarHBondContact O-CG2 3.2Å; Y937-V941 PolarHBondContact O-N 2.78Å; E939-V941 VanDerWaalsContact C-N 3.28Å; E939-V941 PolarHBondContact O-N 2.86Å; V941-K945 HydrophobicContact CG1-CD 4.27Å; V941-K945 WeakPolarHBondContact O-CB 3.1Å; V941-K945 VanDerWaalsContact O-CG 3.24Å; V941-K945 WeakPolarHBondContact O-CG 3.24Å; V941-K945 PolarHBondContact O-N 2.95Å; V941-K945 VanDerWaalsContact O-N 3.09Å; V941-Y956 HydrophobicContact CG1-CE2 4.04Å; V941-Y956 HydrophobicContact CG2-CE2 4.46Å; V941-L965 HydrophobicContact CG2-CD1 3.81Å
942	Q	86.5	Confident	84.9	Confident	106 Å²	106	55 Å²	55	50%	0.495	30%	0.297	S	S	.	.	H	α-helix	trans	-69.8	-43.4	174.4	-76.4	170.5	80.1	0	0	111.9	E938 E939 K945 Q946	E938-Q942 VanDerWaalsContact O-CG 3.31Å; E938-Q942 WeakPolarHBondContact O-CG 3.45Å; E938-Q942 PolarHBondContact O-N 3.42Å; E938-Q942 PolarHBondContact O-NE2 3.12Å; E939-Q942 WeakPolarHBondContact O-CA 3.49Å; E939-Q942 WeakPolarHBondContact O-CB 3.42Å; E939-Q942 PolarHBondContact O-N 2.62Å; Q942-K945 PolarHBondContact O-N 3.24Å; Q942-Q946 WeakPolarHBondContact O-CG 3.46Å; Q942-Q946 PolarHBondContact O-N 3.44Å
943	A	89.2	Confident	84.7	Confident	11 Å²	11	55.9 Å²	55.9	9%	0.091	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-49	173.8	0	0	0	0	0	111.3	E939 L940 K945 Q946 L947 F999 I1002	E939-A943 PolarHBondContact O-N 2.96Å; L940-A943 PolarHBondContact O-N 2.73Å; A943-K945 VanDerWaalsContact C-N 3.31Å; A943-K945 PolarHBondContact O-N 3.45Å; A943-Q946 PolarHBondContact O-N 3.03Å; A943-L947 VanDerWaalsContact O-CG 3.3Å; A943-L947 WeakPolarHBondContact O-CG 3.26Å; A943-L947 PolarHBondContact O-N 3.21Å; A943-F999 HydrophobicContact CB-CD1 4.48Å; A943-F999 HydrophobicContact CB-CE1 4.29Å; A943-I1002 HydrophobicContact CB-CD1 3.67Å
944	A	87.4	Confident	84.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-55.7	-43.8	176.5	0	0	0	0	0	112.4	L940 Q946 L947 T948 Y956 F960 L965 F999	L940-A944 WeakPolarHBondContact O-CB 3.42Å; L940-A944 PolarHBondContact O-N 3.34Å; A944-Q946 PolarHBondContact O-N 3.27Å; A944-L947 PolarHBondContact O-N 3.32Å; A944-T948 WeakPolarHBondContact O-CG2 3.48Å; A944-T948 PolarHBondContact O-N 3.06Å; A944-T948 VanDerWaalsContact O-N 3.08Å; A944-T948 PolarHBondContact O-OG1 3.32Å; A944-Y956 HydrophobicContact CB-CD2 3.99Å; A944-F960 HydrophobicContact CB-CB 4.06Å; A944-F960 HydrophobicContact CB-CD2 3.97Å; A944-F960 HydrophobicContact CB-CG 4.29Å; A944-L965 HydrophobicContact CB-CD1 3.95Å; A944-F999 HydrophobicContact CB-CE1 4.46Å; A944-F999 HydrophobicContact CB-CZ 4.47Å
945	K	84.6	Confident	83.7	Confident	41 Å²	41	50 Å²	50	18%	0.178	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-40.6	175	-75.8	170.6	-175.8	-179.3	0	112.9	Q654 V941 Q942 A943 S949 Y956	Q654-K945 WeakPolarHBondContact O-CE 3.26Å; Q654-K945 PolarHBondContact O-NZ 3.48Å; V941-K945 HydrophobicContact CG1-CD 4.27Å; V941-K945 WeakPolarHBondContact O-CB 3.1Å; V941-K945 VanDerWaalsContact O-CG 3.24Å; V941-K945 WeakPolarHBondContact O-CG 3.24Å; V941-K945 PolarHBondContact O-N 2.95Å; V941-K945 VanDerWaalsContact O-N 3.09Å; Q942-K945 PolarHBondContact O-N 3.24Å; A943-K945 VanDerWaalsContact C-N 3.31Å; A943-K945 PolarHBondContact O-N 3.45Å; K945-S949 WeakPolarHBondContact O-CB 3.28Å; K945-S949 PolarHBondContact O-N 2.73Å; K945-S949 VanDerWaalsContact O-N 3.12Å; K945-S949 PolarHBondContact O-OG 2.91Å; K945-Y956 HydrophobicContact CD-CD1 4.31Å; K945-Y956 HydrophobicContact CD-CE1 4.4Å; K945-Y956 VanDerWaalsContact CE-CE1 3.47Å; K945-Y956 HydrophobicContact CG-CD1 3.51Å; K945-Y956 HydrophobicContact CG-CD2 4.38Å; K945-Y956 HydrophobicContact CG-CE1 4.04Å; K945-Y956 HydrophobicContact CG-CG 3.72Å
946	Q	86.8	Confident	83.6	Confident	135 Å²	135	45.8 Å²	45.8	63%	0.631	26%	0.261	S	S	*	.	H	α-helix	trans	-66.8	-47.6	177.7	-69.2	173.6	29.9	0	0	111.2	Q942 A943 A944 T948 S949 A950	Q942-Q946 WeakPolarHBondContact O-CG 3.46Å; Q942-Q946 PolarHBondContact O-N 3.44Å; A943-Q946 PolarHBondContact O-N 3.03Å; A944-Q946 PolarHBondContact O-N 3.27Å; Q946-T948 PolarHBondContact O-N 2.7Å; Q946-S949 PolarHBondContact O-N 3.11Å; Q946-A950 PolarHBondContact O-N 3.35Å
947	L	88.3	Confident	83	Confident	28 Å²	28	46.3 Å²	46.3	15%	0.147	27%	0.265	C	S	.	.	H	α-helix	trans	-60.8	-43.8	-178.8	-67.1	169.7	0	0	0	112.6	A943 A944 F960 A995 F999	A943-L947 VanDerWaalsContact O-CG 3.3Å; A943-L947 WeakPolarHBondContact O-CG 3.26Å; A943-L947 PolarHBondContact O-N 3.21Å; A944-L947 PolarHBondContact O-N 3.32Å; L947-F960 HydrophobicContact CB-CE2 4.23Å; L947-F960 HydrophobicContact CD1-CE2 4.46Å; L947-A995 HydrophobicContact CD1-CB 3.71Å; L947-F999 HydrophobicContact CD1-CE1 4.24Å; L947-F999 HydrophobicContact CD1-CZ 4.16Å
948	T	84.4	Confident	82.4	Confident	1 Å²	1	45 Å²	45	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-73.9	-37.9	177.5	68.7	0	0	0	0	112.1	A944 Q946 A950 Q951 G952 I953 Y956 V959 F960 F993	A944-T948 WeakPolarHBondContact O-CG2 3.48Å; A944-T948 PolarHBondContact O-N 3.06Å; A944-T948 VanDerWaalsContact O-N 3.08Å; A944-T948 PolarHBondContact O-OG1 3.32Å; Q946-T948 PolarHBondContact O-N 2.7Å; T948-A950 VanDerWaalsContact C-N 3.26Å; T948-A950 PolarHBondContact O-N 2.93Å; T948-Q951 CarbonylContact O-C 3.57Å; T948-Q951 PolarHBondContact O-N 3.4Å; T948-G952 PolarHBondContact O-N 3.09Å; T948-I953 CarbonylContact C-O 3.59Å; T948-I953 WeakPolarHBondContact CB-O 3.18Å; T948-I953 PolarHBondContact O-N 2.93Å; T948-I953 VanDerWaalsContact O-O 3.12Å; T948-I953 PolarHBondContact OG1-O 3.19Å; T948-Y956 WeakPolarHBondContact OG1-CA 3.2Å; T948-Y956 WeakPolarHBondContact OG1-CB 3.3Å; T948-V959 HydrophobicContact CG2-CB 3.89Å; T948-V959 HydrophobicContact CG2-CG1 4.3Å; T948-V959 HydrophobicContact CG2-CG2 4.01Å; T948-F960 HydrophobicContact CG2-CD2 3.79Å; T948-F960 HydrophobicContact CG2-CE2 3.88Å; T948-F993 HydrophobicContact CG2-CE1 4.35Å
949	S	83.4	Confident	82.2	Confident	57 Å²	57	39.5 Å²	39.5	40%	0.399	24%	0.235	S	C	.	.	H	α-helix	trans	-61.3	-34.9	177.1	-61.4	0	0	0	0	112.3	K945 Q946 Q951 G952 I953	K945-S949 WeakPolarHBondContact O-CB 3.28Å; K945-S949 PolarHBondContact O-N 2.73Å; K945-S949 VanDerWaalsContact O-N 3.12Å; K945-S949 PolarHBondContact O-OG 2.91Å; Q946-S949 PolarHBondContact O-N 3.11Å; S949-Q951 PolarHBondContact O-N 2.99Å; S949-G952 PolarHBondContact O-N 3.5Å; S949-I953 PolarHBondContact N-O 3.3Å
950	A	82.9	Confident	82.1	Confident	90 Å²	90	36.2 Å²	36.2	74%	0.744	22%	0.22	S	C	*	.	H	α-helix	trans	-62.6	-23.3	174.7	0	0	0	0	0	113.6	Q946 T948	Q946-A950 PolarHBondContact O-N 3.35Å; T948-A950 VanDerWaalsContact C-N 3.26Å; T948-A950 PolarHBondContact O-N 2.93Å
951	Q	80.1	Confident	81.7	Confident	96 Å²	96	36.8 Å²	36.8	45%	0.449	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	11.3	174	-57.1	-162.5	0.6	0	0	113.1	T948 S949 I953 C992 F993	T948-Q951 CarbonylContact O-C 3.57Å; T948-Q951 PolarHBondContact O-N 3.4Å; S949-Q951 PolarHBondContact O-N 2.99Å; Q951-I953 HydrophobicContact CB-CG1 4.49Å; Q951-I953 PolarHBondContact O-N 3.44Å; Q951-C992 PolarHBondContact NE2-O 3Å; Q951-F993 HydrophobicContact CB-CE1 4.37Å; Q951-F993 HydrophobicContact CG-CD1 4.24Å; Q951-F993 HydrophobicContact CG-CE1 4.16Å
952	G	78.1	Confident	81.5	Confident	63 Å²	63	36.4 Å²	36.4	65%	0.649	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.5	1.5	-174.3	0	0	0	0	0	114.6	T948 S949 S954	T948-G952 PolarHBondContact O-N 3.09Å; S949-G952 PolarHBondContact O-N 3.5Å; G952-S954 PolarHBondContact O-N 3.28Å
953	I	74.3	Confident	81.3	Confident	32 Å²	32	35.7 Å²	35.7	16%	0.164	22%	0.217	C	C	.	.			trans	-79.2	112.8	178.6	-63	175.3	0	0	0	108.9	T443 T948 S949 Q951 V959 F993	T443-I953 HydrophobicContact CG2-CD1 4Å; T443-I953 HydrophobicContact CG2-CG1 4.12Å; T443-I953 HydrophobicContact CG2-CG2 4.05Å; T948-I953 CarbonylContact C-O 3.59Å; T948-I953 WeakPolarHBondContact CB-O 3.18Å; T948-I953 PolarHBondContact O-N 2.93Å; T948-I953 VanDerWaalsContact O-O 3.12Å; T948-I953 PolarHBondContact OG1-O 3.19Å; S949-I953 PolarHBondContact N-O 3.3Å; Q951-I953 HydrophobicContact CB-CG1 4.49Å; Q951-I953 PolarHBondContact O-N 3.44Å; I953-V959 HydrophobicContact CD1-CG2 4.13Å; I953-V959 HydrophobicContact CG2-CG2 3.78Å; I953-F993 HydrophobicContact CD1-CE1 4.01Å; I953-F993 HydrophobicContact CD1-CZ 3.81Å
954	S	69.5	Low	81.2	Confident	47 Å²	47	35.1 Å²	35.1	33%	0.329	21%	0.213	S	C	.	.			trans	-92.4	-31	-158.6	60.7	0	0	0	0	113.7	Q650 Q654 G952	Q650-S954 PolarHBondContact NE2-OG 3.36Å; Q650-S954 PolarHBondContact OE1-O 3.5Å; Q650-S954 PolarHBondContact OE1-OG 3.34Å; Q654-S954 PolarHBondContact NE2-O 2.93Å; G952-S954 PolarHBondContact O-N 3.28Å
955	N	73.2	Confident	81.2	Confident	16 Å²	16	35.1 Å²	35.1	9%	0.086	21%	0.213	C	C	.	.			trans	-94.7	105.6	165.2	-173.3	14	0	0	0	110.7	I653 D672 A957 T958	I653-N955 HydrophobicContact CD1-CB 4.47Å; I653-N955 HydrophobicContact CG2-CB 4.09Å; I653-N955 WeakPolarHBondContact CG2-OD1 3.41Å; D672-N955 PolarHBondContact O-ND2 3.14Å; N955-A957 VanDerWaalsContact C-N 3.28Å; N955-A957 PolarHBondContact O-N 2.85Å; N955-A957 PolarHBondContact OD1-N 2.98Å; N955-T958 WeakPolarHBondContact CB-OG1 3.5Å; N955-T958 PolarHBondContact ND2-OG1 3.33Å; N955-T958 PolarHBondContact O-N 3.2Å
956	Y	81.4	Confident	81.2	Confident	4 Å²	4	36 Å²	36	2%	0.016	22%	0.219	C	C	.	.	H	α-helix	trans	-63.1	-34.3	179.5	74.7	-81.1	0	0	0	112.7	V941 A944 K945 T948 T958 V959 F960 N962 L965	V941-Y956 HydrophobicContact CG1-CE2 4.04Å; V941-Y956 HydrophobicContact CG2-CE2 4.46Å; A944-Y956 HydrophobicContact CB-CD2 3.99Å; K945-Y956 HydrophobicContact CD-CD1 4.31Å; K945-Y956 HydrophobicContact CD-CE1 4.4Å; K945-Y956 VanDerWaalsContact CE-CE1 3.47Å; K945-Y956 HydrophobicContact CG-CD1 3.51Å; K945-Y956 HydrophobicContact CG-CD2 4.38Å; K945-Y956 HydrophobicContact CG-CE1 4.04Å; K945-Y956 HydrophobicContact CG-CG 3.72Å; T948-Y956 WeakPolarHBondContact OG1-CA 3.2Å; T948-Y956 WeakPolarHBondContact OG1-CB 3.3Å; Y956-T958 PolarHBondContact O-N 2.82Å; Y956-V959 PolarHBondContact O-N 3.24Å; Y956-V959 VanDerWaalsContact O-N 3.08Å; Y956-F960 PolarHBondContact O-N 2.92Å; Y956-N962 PolarHBondContact OH-ND2 2.99Å; Y956-L965 HydrophobicContact CE2-CD1 4.27Å
957	A	75.3	Confident	81.2	Confident	12 Å²	12	33.2 Å²	33.2	10%	0.099	21%	0.206	C	C	.	.	H	α-helix	trans	-68.1	-20.2	-176.1	0	0	0	0	0	113.4	P674 N955 V959 P961	P674-A957 HydrophobicContact CG-CB 4.23Å; N955-A957 VanDerWaalsContact C-N 3.28Å; N955-A957 PolarHBondContact O-N 2.85Å; N955-A957 PolarHBondContact OD1-N 2.98Å; A957-V959 VanDerWaalsContact C-N 3.29Å; A957-V959 PolarHBondContact O-N 3.42Å; A957-P961 WeakPolarHBondContact O-CA 3.39Å
958	T	75.4	Confident	81.3	Confident	8 Å²	8	31.9 Å²	31.9	5%	0.049	20%	0.199	C	C	.	.	H	α-helix	trans	-65.7	-33.2	173	-52.5	0	0	0	0	111.3	D440 K444 N955 Y956	D440-T958 WeakPolarHBondContact O-CG2 3.33Å; D440-T958 VanDerWaalsContact OD1-CG2 3.23Å; D440-T958 WeakPolarHBondContact OD1-CG2 3.16Å; D440-T958 PolarHBondContact OD1-OG1 3.17Å; K444-T958 HydrophobicContact CB-CG2 3.65Å; K444-T958 HydrophobicContact CG-CG2 4.3Å; N955-T958 WeakPolarHBondContact CB-OG1 3.5Å; N955-T958 PolarHBondContact ND2-OG1 3.33Å; N955-T958 PolarHBondContact O-N 3.2Å; Y956-T958 PolarHBondContact O-N 2.82Å
959	V	81.4	Confident	81.5	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-97.6	-47.3	179.9	-179.9	0	0	0	0	111.9	T948 I953 Y956 A957 P961 K989 F993	T948-V959 HydrophobicContact CG2-CB 3.89Å; T948-V959 HydrophobicContact CG2-CG1 4.3Å; T948-V959 HydrophobicContact CG2-CG2 4.01Å; I953-V959 HydrophobicContact CD1-CG2 4.13Å; I953-V959 HydrophobicContact CG2-CG2 3.78Å; Y956-V959 PolarHBondContact O-N 3.24Å; Y956-V959 VanDerWaalsContact O-N 3.08Å; A957-V959 VanDerWaalsContact C-N 3.29Å; A957-V959 PolarHBondContact O-N 3.42Å; V959-P961 WeakPolarHBondContact O-CD 2.89Å; V959-K989 WeakPolarHBondContact O-CD 3.16Å; V959-K989 WeakPolarHBondContact O-CE 3.29Å; V959-K989 PolarHBondContact O-NZ 3.45Å; V959-F993 HydrophobicContact CB-CZ 4.36Å; V959-F993 HydrophobicContact CG1-CD1 4.46Å; V959-F993 HydrophobicContact CG1-CD2 3.96Å; V959-F993 HydrophobicContact CG1-CE1 4.02Å; V959-F993 HydrophobicContact CG1-CE2 3.48Å; V959-F993 VanDerWaalsContact CG1-CE2 3.48Å; V959-F993 HydrophobicContact CG1-CG 4.44Å; V959-F993 HydrophobicContact CG1-CZ 3.52Å; V959-F993 HydrophobicContact CG2-CE1 4.37Å; V959-F993 HydrophobicContact CG2-CZ 3.89Å
960	F	86.5	Confident	81.6	Confident	0 Å²	0	33 Å²	33	0%	0	21%	0.208	C	C	.	.	S	Bend	trans	-119.3	83.3	-178	-59.8	-63.6	0	0	0	109.8	A944 L947 T948 Y956 M964 L965 K989 F993 A995 F999	A944-F960 HydrophobicContact CB-CB 4.06Å; A944-F960 HydrophobicContact CB-CD2 3.97Å; A944-F960 HydrophobicContact CB-CG 4.29Å; L947-F960 HydrophobicContact CB-CE2 4.23Å; L947-F960 HydrophobicContact CD1-CE2 4.46Å; T948-F960 HydrophobicContact CG2-CD2 3.79Å; T948-F960 HydrophobicContact CG2-CE2 3.88Å; Y956-F960 PolarHBondContact O-N 2.92Å; F960-M964 HydrophobicContact CD1-CE 3.79Å; F960-M964 HydrophobicContact CD1-SD 4.22Å; F960-M964 HydrophobicContact CE1-CE 4.28Å; F960-L965 HydrophobicContact CB-CD1 4.5Å; F960-L965 HydrophobicContact CB-CD2 4.38Å; F960-K989 HydrophobicContact CE1-CB 4.37Å; F960-F993 HydrophobicContact CE2-CB 4.39Å; F960-F993 HydrophobicContact CE2-CD1 4.29Å; F960-F993 HydrophobicContact CE2-CG 4.22Å; F960-F993 HydrophobicContact CZ-CB 3.83Å; F960-F993 HydrophobicContact CZ-CD1 4.42Å; F960-F993 HydrophobicContact CZ-CD2 4.19Å; F960-F993 AromaticContact CZ-CG 3.88Å; F960-F993 HydrophobicContact CZ-CG 3.88Å; F960-A995 HydrophobicContact CE1-CB 4.18Å; F960-A995 HydrophobicContact CZ-CB 3.84Å; F960-F999 AromaticContact CD1-CE2 3.97Å; F960-F999 HydrophobicContact CD1-CE2 3.97Å; F960-F999 AromaticContact CD1-CZ 3.97Å; F960-F999 HydrophobicContact CD1-CZ 3.97Å; F960-F999 HydrophobicContact CD2-CZ 4.43Å; F960-F999 AromaticContact CE1-CE2 3.79Å; F960-F999 HydrophobicContact CE1-CE2 3.79Å; F960-F999 HydrophobicContact CE1-CZ 4.04Å; F960-F999 HydrophobicContact CE2-CZ 4.49Å; F960-F999 HydrophobicContact CG-CZ 4.17Å; F960-F999 HydrophobicContact CZ-CE2 4.3Å; F960-F999 HydrophobicContact CZ-CZ 4.3Å
961	P	82.3	Confident	81.9	Confident	13 Å²	13	31.9 Å²	31.9	8%	0.084	19%	0.194	C	C	.	.			trans	-61.6	144.2	-177.2	-23.9	35.5	0	0	0	111.9	A957 V959 E963 M964 L965	A957-P961 WeakPolarHBondContact O-CA 3.39Å; V959-P961 WeakPolarHBondContact O-CD 2.89Å; P961-E963 PolarHBondContact O-N 2.65Å; P961-M964 VanDerWaalsContact O-CB 3.32Å; P961-M964 WeakPolarHBondContact O-CB 3.21Å; P961-M964 PolarHBondContact O-N 3.47Å; P961-L965 PolarHBondContact O-N 3.29Å
962	N	81	Confident	82.3	Confident	4 Å²	4	28.1 Å²	28.1	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-23.5	-176.1	-62.2	42.2	0	0	0	113.2	P674 Y937 Y956 L965 L966	P674-N962 HydrophobicContact CG-CB 4.11Å; P674-N962 VanDerWaalsContact CG-CG 3.42Å; P674-N962 VanDerWaalsContact CG-OD1 3.28Å; P674-N962 WeakPolarHBondContact CG-OD1 3.47Å; Y937-N962 HydrophobicContact CE2-CB 4.48Å; Y937-N962 PolarHBondContact OH-ND2 2.88Å; Y956-N962 PolarHBondContact OH-ND2 2.99Å; N962-L965 PolarHBondContact O-N 3.43Å; N962-L966 VanDerWaalsContact O-CB 3.3Å; N962-L966 WeakPolarHBondContact O-CB 3.44Å; N962-L966 WeakPolarHBondContact O-CG 3.46Å; N962-L966 PolarHBondContact O-N 2.95Å
963	E	81.2	Confident	82.8	Confident	91 Å²	91	25.3 Å²	25.3	43%	0.425	15%	0.147	S	C	.	.	H	α-helix	trans	-56.5	-48.5	170.4	-166.8	170.3	-173.8	0	0	111.3	R387 P961 E967 Q984	R387-E963 IonicContact NH2-OE1 3.4Å; R387-E963 PolarHBondContact NH2-OE1 2.91Å; R387-E963 IonicContact NH2-OE2 2.87Å; R387-E963 PolarHBondContact NH2-OE2 2.82Å; R387-E963 VanDerWaalsContact NH2-OE2 3.15Å; P961-E963 PolarHBondContact O-N 2.65Å; E963-E967 PolarHBondContact O-N 3.24Å; E963-E967 VanDerWaalsContact O-N 3.08Å; E963-Q984 VanDerWaalsContact CD-NE2 3.26Å; E963-Q984 PolarHBondContact OE2-NE2 3Å
964	M	86.5	Confident	83.4	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.5	-42	175	174.8	-174.2	163	0	0	111.9	F960 P961 E967 M968 I982 P983 Q984 C985 F999	F960-M964 HydrophobicContact CD1-CE 3.79Å; F960-M964 HydrophobicContact CD1-SD 4.22Å; F960-M964 HydrophobicContact CE1-CE 4.28Å; P961-M964 VanDerWaalsContact O-CB 3.32Å; P961-M964 WeakPolarHBondContact O-CB 3.21Å; P961-M964 PolarHBondContact O-N 3.47Å; M964-E967 PolarHBondContact O-N 2.96Å; M964-M968 HydrophobicContact CE-CE 3.4Å; M964-M968 VanDerWaalsContact CE-CE 3.4Å; M964-M968 HydrophobicContact CE-SD 4.31Å; M964-M968 HydrophobicContact CG-CE 4.12Å; M964-M968 HydrophobicContact CG-SD 4.36Å; M964-M968 WeakPolarHBondContact O-CB 3.22Å; M964-M968 VanDerWaalsContact O-CG 3.29Å; M964-M968 WeakPolarHBondContact O-CG 3.49Å; M964-M968 PolarHBondContact O-N 3.23Å; M964-I982 HydrophobicContact CG-CG2 4.14Å; M964-P983 WeakPolarHBondContact CB-O 3.5Å; M964-Q984 HydrophobicContact CB-CB 4.5Å; M964-C985 HydrophobicContact CE-CB 3.82Å; M964-C985 HydrophobicContact CG-CB 4.42Å; M964-C985 HydrophobicContact SD-CB 4.23Å; M964-F999 HydrophobicContact CE-CE2 4.24Å
965	L	87.9	Confident	84.4	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-73.5	-33.8	-179	-57.7	179.4	0	0	0	113	Y937 L940 V941 A944 Y956 F960 P961 N962 M968 A969 F999	Y937-L965 HydrophobicContact CD2-CB 4.12Å; Y937-L965 HydrophobicContact CE2-CB 4Å; L940-L965 HydrophobicContact CB-CD2 4.42Å; V941-L965 HydrophobicContact CG2-CD1 3.81Å; A944-L965 HydrophobicContact CB-CD1 3.95Å; Y956-L965 HydrophobicContact CE2-CD1 4.27Å; F960-L965 HydrophobicContact CB-CD1 4.5Å; F960-L965 HydrophobicContact CB-CD2 4.38Å; P961-L965 PolarHBondContact O-N 3.29Å; N962-L965 PolarHBondContact O-N 3.43Å; L965-M968 HydrophobicContact CD2-SD 4Å; L965-A969 WeakPolarHBondContact O-CB 3.35Å; L965-A969 PolarHBondContact O-N 2.87Å; L965-F999 HydrophobicContact CD2-CE1 4.25Å; L965-F999 HydrophobicContact CD2-CZ 4.16Å
966	L	85.5	Confident	85.1	Confident	58 Å²	58	28.2 Å²	28.2	30%	0.304	16%	0.163	S	C	.	.	H	α-helix	trans	-68.2	-39.4	173.2	-76.3	168.1	0	0	0	111.3	Y937 N962 A969 S970	Y937-L966 HydrophobicContact CD1-CD2 4.28Å; Y937-L966 HydrophobicContact CD2-CD2 3.6Å; Y937-L966 HydrophobicContact CD2-CG 3.87Å; Y937-L966 HydrophobicContact CE1-CD2 4.3Å; Y937-L966 HydrophobicContact CE2-CD2 3.62Å; Y937-L966 HydrophobicContact CE2-CG 3.57Å; Y937-L966 HydrophobicContact CG-CD2 3.93Å; N962-L966 VanDerWaalsContact O-CB 3.3Å; N962-L966 WeakPolarHBondContact O-CB 3.44Å; N962-L966 WeakPolarHBondContact O-CG 3.46Å; N962-L966 PolarHBondContact O-N 2.95Å; L966-A969 PolarHBondContact O-N 3.48Å; L966-S970 VanDerWaalsContact O-CB 3.31Å; L966-S970 WeakPolarHBondContact O-CB 3.44Å; L966-S970 PolarHBondContact O-N 3.26Å; L966-S970 PolarHBondContact O-OG 2.72Å
967	E	86.3	Confident	85.5	Confident	78 Å²	78	34 Å²	34	36%	0.364	19%	0.19	S	C	.	.	H	α-helix	trans	-71.8	-36.8	176.4	-167.1	165.4	155.1	0	0	111.6	E963 M964 S970 S971 I982 P983	E963-E967 PolarHBondContact O-N 3.24Å; E963-E967 VanDerWaalsContact O-N 3.08Å; M964-E967 PolarHBondContact O-N 2.96Å; E967-S970 PolarHBondContact O-N 3.33Å; E967-S970 VanDerWaalsContact O-N 3.15Å; E967-S971 WeakPolarHBondContact O-CB 3.25Å; E967-S971 PolarHBondContact O-N 3.36Å; E967-S971 PolarHBondContact O-OG 2.99Å; E967-I982 HydrophobicContact CB-CG2 4Å; E967-I982 HydrophobicContact CG-CG2 4.21Å; E967-P983 WeakPolarHBondContact OE1-CD 3.37Å; E967-P983 VanDerWaalsContact OE2-CD 3.23Å; E967-P983 WeakPolarHBondContact OE2-CD 3.32Å; E967-P983 WeakPolarHBondContact OE2-CG 3.48Å
968	M	89.9	Confident	86.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.8	-50	167	-77.5	171.7	170.1	0	0	112.4	L940 M964 L965 S970 L972 L979 I982 F999	L940-M968 HydrophobicContact CD1-CB 3.67Å; M964-M968 HydrophobicContact CE-CE 3.4Å; M964-M968 VanDerWaalsContact CE-CE 3.4Å; M964-M968 HydrophobicContact CE-SD 4.31Å; M964-M968 HydrophobicContact CG-CE 4.12Å; M964-M968 HydrophobicContact CG-SD 4.36Å; M964-M968 WeakPolarHBondContact O-CB 3.22Å; M964-M968 VanDerWaalsContact O-CG 3.29Å; M964-M968 WeakPolarHBondContact O-CG 3.49Å; M964-M968 PolarHBondContact O-N 3.23Å; L965-M968 HydrophobicContact CD2-SD 4Å; M968-S970 PolarHBondContact O-N 2.87Å; M968-L972 WeakPolarHBondContact O-CA 3.48Å; M968-L972 PolarHBondContact O-N 2.92Å; M968-L979 HydrophobicContact CE-CD1 4.31Å; M968-L979 HydrophobicContact CE-CD2 3.77Å; M968-L979 HydrophobicContact CE-CG 3.89Å; M968-I982 HydrophobicContact CB-CD1 4.16Å; M968-I982 HydrophobicContact CE-CD1 4.45Å; M968-I982 HydrophobicContact CG-CD1 3.37Å; M968-I982 HydrophobicContact CG-CG2 4.36Å; M968-F999 HydrophobicContact CE-CD2 3.92Å; M968-F999 HydrophobicContact CE-CE2 4.31Å; M968-F999 HydrophobicContact SD-CD2 4.2Å; M968-F999 HydrophobicContact SD-CE2 4.49Å; M968-F999 HydrophobicContact SD-CG 4.34Å
969	A	88.7	Confident	86.7	Confident	3 Å²	3	37.4 Å²	37.4	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-20.1	177.1	0	0	0	0	0	113.9	R933 C936 L940 L965 L966	R933-A969 WeakPolarHBondContact CG-O 3.4Å; C936-A969 HydrophobicContact CB-CB 4.22Å; L940-A969 HydrophobicContact CD1-CB 4.08Å; L965-A969 WeakPolarHBondContact O-CB 3.35Å; L965-A969 PolarHBondContact O-N 2.87Å; L966-A969 PolarHBondContact O-N 3.48Å
970	S	86.5	Confident	87	Confident	79 Å²	79	39.9 Å²	39.9	55%	0.552	22%	0.216	S	C	*	.	H	α-helix	trans	-95.3	-31.2	-178.5	-60.4	0	0	0	0	113.5	L966 E967 M968	L966-S970 VanDerWaalsContact O-CB 3.31Å; L966-S970 WeakPolarHBondContact O-CB 3.44Å; L966-S970 PolarHBondContact O-N 3.26Å; L966-S970 PolarHBondContact O-OG 2.72Å; E967-S970 PolarHBondContact O-N 3.33Å; E967-S970 VanDerWaalsContact O-N 3.15Å; M968-S970 PolarHBondContact O-N 2.87Å
971	S	88	Confident	87	Confident	66 Å²	66	44.7 Å²	44.7	46%	0.462	24%	0.239	S	C	.	.	H	α-helix	trans	-98.1	-28.2	-178.2	57.5	0	0	0	0	113.6	E967	E967-S971 WeakPolarHBondContact O-CB 3.25Å; E967-S971 PolarHBondContact O-N 3.36Å; E967-S971 PolarHBondContact O-OG 2.99Å
972	L	88.2	Confident	87.2	Confident	17 Å²	17	44.3 Å²	44.3	9%	0.089	24%	0.236	C	C	.	.			trans	49.5	64.1	-178	-60.3	175.8	0	0	0	113.1	C936 M968 A974 T1003 L1007 L1010	C936-L972 VanDerWaalsContact SG-CD2 3.56Å; M968-L972 WeakPolarHBondContact O-CA 3.48Å; M968-L972 PolarHBondContact O-N 2.92Å; L972-A974 PolarHBondContact O-N 3.18Å; L972-T1003 HydrophobicContact CD2-CG2 4.37Å; L972-L1007 HydrophobicContact CB-CB 4.41Å; L972-L1007 HydrophobicContact CB-CD1 4.48Å; L972-L1007 HydrophobicContact CD1-CB 4.41Å; L972-L1010 HydrophobicContact CD1-CD1 3.64Å; L972-L1010 HydrophobicContact CD1-CG 4.39Å
973	P	89.8	Confident	87.3	Confident	4 Å²	4	45 Å²	45	3%	0.026	24%	0.241	C	C	.	.			trans	-57.9	136.5	179.3	27.4	-38	0	0	0	111.5	E978 L979 I982 T1003	P973-E978 HydrophobicContact CB-CB 3.74Å; P973-L979 HydrophobicContact CB-CB 4.03Å; P973-L979 HydrophobicContact CB-CG 4.5Å; P973-L979 HydrophobicContact CG-CB 4.21Å; P973-L979 HydrophobicContact CG-CD1 4.05Å; P973-L979 HydrophobicContact CG-CG 4.13Å; P973-I982 HydrophobicContact CB-CD1 4.44Å; P973-I982 HydrophobicContact CG-CD1 3.78Å; P973-T1003 HydrophobicContact CG-CG2 4.08Å; P973-T1003 WeakPolarHBondContact O-CB 3.45Å; P973-T1003 PolarHBondContact O-OG1 2.89Å
974	A	87.8	Confident	87.3	Confident	41 Å²	41	41.9 Å²	41.9	34%	0.339	23%	0.226	S	C	.	.			trans	-104.5	-12.3	176.9	0	0	0	0	0	112.6	L972 E978 L1004 L1007	L972-A974 PolarHBondContact O-N 3.18Å; A974-E978 PolarHBondContact N-OE2 3.44Å; A974-L1004 HydrophobicContact CB-CD2 3.75Å; A974-L1007 HydrophobicContact CB-CD1 4.47Å
975	T	90.4	Very high	87.3	Confident	56 Å²	56	42.1 Å²	42.1	34%	0.344	23%	0.228	S	C	.	.	S	Bend	trans	-131	160.8	-175.6	59.6	0	0	0	0	112.5	E977 E978 L979	T975-E977 VanDerWaalsContact C-N 3.26Å; T975-E977 PolarHBondContact O-N 2.9Å; T975-E978 PolarHBondContact N-OE2 2.99Å; T975-E978 PolarHBondContact O-N 2.91Å; T975-E978 WeakPolarHBondContact OG1-CB 3.31Å; T975-E978 WeakPolarHBondContact OG1-CG 3.49Å; T975-E978 PolarHBondContact OG1-N 3.07Å; T975-E978 PolarHBondContact OG1-OE2 3.29Å; T975-L979 WeakPolarHBondContact O-CB 3.26Å; T975-L979 PolarHBondContact O-N 3.24Å
976	R	88.2	Confident	87.2	Confident	58 Å²	58	42.4 Å²	42.4	22%	0.219	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-38.5	174.3	-174	-173.4	-176.3	98.6	-2.1	111.1	L979 L980 D987 N991 E996	R976-L979 PolarHBondContact O-N 3.45Å; R976-L980 HydrophobicContact CG-CD1 4.15Å; R976-L980 WeakPolarHBondContact O-CB 3.39Å; R976-L980 WeakPolarHBondContact O-CG 3.34Å; R976-L980 PolarHBondContact O-N 2.81Å; R976-D987 IonicContact CZ-OD1 2.77Å; R976-D987 IonicContact NE-OD1 3.2Å; R976-D987 IonicContact NH2-OD1 3.95Å; R976-D987 PolarHBondContact NH2-OD1 3.14Å; R976-D987 IonicContact NH2-OD2 2.76Å; R976-N991 PolarHBondContact NH2-OD1 2.64Å; R976-E996 WeakPolarHBondContact CB-OE1 3.38Å; R976-E996 VanDerWaalsContact CD-OE1 3.26Å; R976-E996 WeakPolarHBondContact CD-OE1 3.46Å; R976-E996 VanDerWaalsContact CG-OE1 3.24Å; R976-E996 WeakPolarHBondContact CG-OE1 3.41Å; R976-E996 IonicContact CZ-OE1 2.74Å; R976-E996 IonicContact NE-OE1 3.77Å; R976-E996 IonicContact NH1-OE1 3.87Å; R976-E996 PolarHBondContact NH1-OE1 2.79Å; R976-E996 IonicContact NH1-OE2 2.73Å; R976-E996 PolarHBondContact NH1-OE2 3.02Å
977	E	88.6	Confident	87.2	Confident	125 Å²	125	43.1 Å²	43.1	58%	0.584	23%	0.234	S	C	*	.	H	α-helix	trans	-63.5	-43.3	-178.4	-68.9	65.3	-148.2	0	0	111.8	T975 Q981	T975-E977 VanDerWaalsContact C-N 3.26Å; T975-E977 PolarHBondContact O-N 2.9Å; E977-Q981 WeakPolarHBondContact O-CG 3.48Å; E977-Q981 PolarHBondContact O-N 3.13Å; E977-Q981 PolarHBondContact O-NE2 3.42Å; E977-Q981 VanDerWaalsContact O-NE2 3.17Å
978	E	88.2	Confident	87.1	Confident	91 Å²	91	44.4 Å²	44.4	43%	0.425	24%	0.236	S	C	.	.	H	α-helix	trans	-69.2	-39.5	172.6	-71.2	164	153.4	0	0	111.9	P973 A974 T975 L980 Q981	P973-E978 HydrophobicContact CB-CB 3.74Å; A974-E978 PolarHBondContact N-OE2 3.44Å; T975-E978 PolarHBondContact N-OE2 2.99Å; T975-E978 PolarHBondContact O-N 2.91Å; T975-E978 WeakPolarHBondContact OG1-CB 3.31Å; T975-E978 WeakPolarHBondContact OG1-CG 3.49Å; T975-E978 PolarHBondContact OG1-N 3.07Å; T975-E978 PolarHBondContact OG1-OE2 3.29Å; E978-L980 VanDerWaalsContact C-N 3.29Å; E978-L980 PolarHBondContact O-N 3.04Å; E978-Q981 WeakPolarHBondContact O-CA 3.49Å; E978-Q981 VanDerWaalsContact O-CB 3.25Å; E978-Q981 WeakPolarHBondContact O-CB 3.26Å; E978-Q981 PolarHBondContact O-N 3.08Å
979	L	87.7	Confident	86.9	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-67.5	-32.9	179.4	-159.7	145.9	0	0	0	111.3	M968 P973 T975 R976 Q981 I982 C985 L990 F999 L1000	M968-L979 HydrophobicContact CE-CD1 4.31Å; M968-L979 HydrophobicContact CE-CD2 3.77Å; M968-L979 HydrophobicContact CE-CG 3.89Å; P973-L979 HydrophobicContact CB-CB 4.03Å; P973-L979 HydrophobicContact CB-CG 4.5Å; P973-L979 HydrophobicContact CG-CB 4.21Å; P973-L979 HydrophobicContact CG-CD1 4.05Å; P973-L979 HydrophobicContact CG-CG 4.13Å; T975-L979 WeakPolarHBondContact O-CB 3.26Å; T975-L979 PolarHBondContact O-N 3.24Å; R976-L979 PolarHBondContact O-N 3.45Å; L979-Q981 VanDerWaalsContact C-N 3.28Å; L979-Q981 PolarHBondContact O-N 3.22Å; L979-I982 WeakPolarHBondContact O-CB 3.36Å; L979-I982 PolarHBondContact O-N 3.38Å; L979-C985 VanDerWaalsContact CD2-SG 3.55Å; L979-C985 WeakPolarHBondContact O-CB 3.45Å; L979-C985 PolarHBondContact O-SG 3.14Å; L979-C985 VanDerWaalsContact O-SG 3.41Å; L979-L990 HydrophobicContact CD2-CD1 3.62Å; L979-L990 HydrophobicContact CD2-CD2 3.47Å; L979-L990 VanDerWaalsContact CD2-CD2 3.47Å; L979-L990 HydrophobicContact CD2-CG 4.17Å; L979-F999 HydrophobicContact CD1-CB 4.05Å; L979-L1000 HydrophobicContact CD1-CD2 3.73Å; L979-L1000 HydrophobicContact CD1-CG 3.93Å
980	L	88.1	Confident	86.8	Confident	52 Å²	52	44.6 Å²	44.6	27%	0.272	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-7.1	165.9	-70.1	173.5	0	0	0	114	R976 E978 I982 D987 L990	R976-L980 HydrophobicContact CG-CD1 4.15Å; R976-L980 WeakPolarHBondContact O-CB 3.39Å; R976-L980 WeakPolarHBondContact O-CG 3.34Å; R976-L980 PolarHBondContact O-N 2.81Å; E978-L980 VanDerWaalsContact C-N 3.29Å; E978-L980 PolarHBondContact O-N 3.04Å; L980-I982 VanDerWaalsContact C-N 3.27Å; L980-D987 HydrophobicContact CD2-CB 4.3Å; L980-L990 HydrophobicContact CD2-CD1 3.84Å; L980-L990 HydrophobicContact CG-CD1 4.19Å
981	Q	86.8	Confident	86.8	Confident	101 Å²	101	44.2 Å²	44.2	47%	0.472	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-11	165.6	-63.8	-42.5	-61.7	0	0	113.5	R384 E977 E978 L979	R384-Q981 PolarHBondContact NE-O 2.87Å; R384-Q981 PolarHBondContact NH1-O 2.89Å; R384-Q981 VanDerWaalsContact NH1-OE1 3.12Å; R384-Q981 VanDerWaalsContact NH2-CA 3.35Å; R384-Q981 PolarHBondContact NH2-O 3.47Å; E977-Q981 WeakPolarHBondContact O-CG 3.48Å; E977-Q981 PolarHBondContact O-N 3.13Å; E977-Q981 PolarHBondContact O-NE2 3.42Å; E977-Q981 VanDerWaalsContact O-NE2 3.17Å; E978-Q981 WeakPolarHBondContact O-CA 3.49Å; E978-Q981 VanDerWaalsContact O-CB 3.25Å; E978-Q981 WeakPolarHBondContact O-CB 3.26Å; E978-Q981 PolarHBondContact O-N 3.08Å; L979-Q981 VanDerWaalsContact C-N 3.28Å; L979-Q981 PolarHBondContact O-N 3.22Å
982	I	85.8	Confident	86.6	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.026	22%	0.222	C	C	.	.	S	Bend	trans	-84.9	130.4	-174.4	-61.1	179.6	0	0	0	110.6	M964 E967 M968 P973 L979 L980 C985	M964-I982 HydrophobicContact CG-CG2 4.14Å; E967-I982 HydrophobicContact CB-CG2 4Å; E967-I982 HydrophobicContact CG-CG2 4.21Å; M968-I982 HydrophobicContact CB-CD1 4.16Å; M968-I982 HydrophobicContact CE-CD1 4.45Å; M968-I982 HydrophobicContact CG-CD1 3.37Å; M968-I982 HydrophobicContact CG-CG2 4.36Å; P973-I982 HydrophobicContact CB-CD1 4.44Å; P973-I982 HydrophobicContact CG-CD1 3.78Å; L979-I982 WeakPolarHBondContact O-CB 3.36Å; L979-I982 PolarHBondContact O-N 3.38Å; L980-I982 VanDerWaalsContact C-N 3.27Å; I982-C985 HydrophobicContact CB-CB 4.27Å; I982-C985 WeakPolarHBondContact O-CB 3.33Å; I982-C985 PolarHBondContact O-N 3.1Å; I982-C985 VanDerWaalsContact O-N 3.12Å
983	P	83.2	Confident	86.4	Confident	19 Å²	19	43.1 Å²	43.1	12%	0.123	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	139.7	175.3	-28.2	36	0	0	0	113.5	G382 R384 M964 E967 C985	G382-P983 CarbonylContact O-C 3.45Å; G382-P983 WeakPolarHBondContact O-CA 3.18Å; R384-P983 HydrophobicContact CG-CG 4.46Å; M964-P983 WeakPolarHBondContact CB-O 3.5Å; E967-P983 WeakPolarHBondContact OE1-CD 3.37Å; E967-P983 VanDerWaalsContact OE2-CD 3.23Å; E967-P983 WeakPolarHBondContact OE2-CD 3.32Å; E967-P983 WeakPolarHBondContact OE2-CG 3.48Å; P983-C985 PolarHBondContact O-N 3.02Å
984	Q	81.4	Confident	86.2	Confident	26 Å²	26	48.8 Å²	48.8	12%	0.121	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	63	1	-178.3	-57.3	170.9	79.4	0	0	114.8	G382 L383 E963 M964 K989	G382-Q984 PolarHBondContact O-N 2.79Å; L383-Q984 HydrophobicContact CD2-CG 3.56Å; E963-Q984 VanDerWaalsContact CD-NE2 3.26Å; E963-Q984 PolarHBondContact OE2-NE2 3Å; M964-Q984 HydrophobicContact CB-CB 4.5Å; Q984-K989 WeakPolarHBondContact O-CE 3.38Å; Q984-K989 PolarHBondContact O-NZ 2.82Å
985	C	86	Confident	86.1	Confident	5 Å²	5	46.8 Å²	46.8	3%	0.034	23%	0.234	C	C	.	.			trans	-78.3	133.7	160.5	-167	0	0	0	0	109.4	M964 L979 I982 P983	M964-C985 HydrophobicContact CE-CB 3.82Å; M964-C985 HydrophobicContact CG-CB 4.42Å; M964-C985 HydrophobicContact SD-CB 4.23Å; L979-C985 VanDerWaalsContact CD2-SG 3.55Å; L979-C985 WeakPolarHBondContact O-CB 3.45Å; L979-C985 PolarHBondContact O-SG 3.14Å; L979-C985 VanDerWaalsContact O-SG 3.41Å; I982-C985 HydrophobicContact CB-CB 4.27Å; I982-C985 WeakPolarHBondContact O-CB 3.33Å; I982-C985 PolarHBondContact O-N 3.1Å; I982-C985 VanDerWaalsContact O-N 3.12Å; P983-C985 PolarHBondContact O-N 3.02Å
986	T	86.5	Confident	85.9	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.031	23%	0.23	C	C	.	.			trans	-140.4	149.5	177.2	63.4	0	0	0	0	110.3	Y988 K989 L990	T986-Y988 PolarHBondContact O-N 2.9Å; T986-K989 PolarHBondContact O-N 2.89Å; T986-L990 PolarHBondContact O-N 3.14Å
987	D	85.8	Confident	85.9	Confident	74 Å²	74	47.8 Å²	47.8	40%	0.396	25%	0.246	S	C	.	.	H	α-helix	trans	-52.8	-41.4	-179.7	-169.2	81.2	0	0	0	112	R976 L980 K989 L990 N991	R976-D987 IonicContact CZ-OD1 2.77Å; R976-D987 IonicContact NE-OD1 3.2Å; R976-D987 IonicContact NH2-OD1 3.95Å; R976-D987 PolarHBondContact NH2-OD1 3.14Å; R976-D987 IonicContact NH2-OD2 2.76Å; L980-D987 HydrophobicContact CD2-CB 4.3Å; D987-K989 PolarHBondContact O-N 3.18Å; D987-L990 PolarHBondContact O-N 2.99Å; D987-N991 PolarHBondContact O-N 2.93Å; D987-N991 PolarHBondContact O-ND2 2.93Å; D987-N991 PolarHBondContact OD2-ND2 3.34Å
988	Y	84.6	Confident	85.9	Confident	104 Å²	104	43.6 Å²	43.6	41%	0.408	23%	0.23	S	C	.	.	H	α-helix	trans	-57	-47	174.6	-173.6	-88.6	0	0	0	112.8	Q446 S447 T986 L990 N991 C992	Q446-Y988 WeakPolarHBondContact O-CE1 3.03Å; S447-Y988 WeakPolarHBondContact O-CD1 3.34Å; T986-Y988 PolarHBondContact O-N 2.9Å; Y988-L990 PolarHBondContact O-N 3.45Å; Y988-N991 PolarHBondContact O-N 3.5Å; Y988-C992 HydrophobicContact CD1-CB 4.46Å; Y988-C992 HydrophobicContact CE1-CB 4.21Å; Y988-C992 WeakPolarHBondContact O-CB 3.11Å; Y988-C992 PolarHBondContact O-N 3.22Å; Y988-C992 PolarHBondContact O-SG 3.29Å; Y988-C992 VanDerWaalsContact O-SG 3.39Å
989	K	85.6	Confident	86.1	Confident	6 Å²	6	39.3 Å²	39.3	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-43.1	178	-72.6	-178.5	-173.1	-175.2	0	112.2	S447 V959 F960 Q984 T986 D987 F993	S447-K989 WeakPolarHBondContact O-CG 3.36Å; V959-K989 WeakPolarHBondContact O-CD 3.16Å; V959-K989 WeakPolarHBondContact O-CE 3.29Å; V959-K989 PolarHBondContact O-NZ 3.45Å; F960-K989 HydrophobicContact CE1-CB 4.37Å; Q984-K989 WeakPolarHBondContact O-CE 3.38Å; Q984-K989 PolarHBondContact O-NZ 2.82Å; T986-K989 PolarHBondContact O-N 2.89Å; D987-K989 PolarHBondContact O-N 3.18Å; K989-F993 WeakPolarHBondContact O-CB 3.44Å; K989-F993 WeakPolarHBondContact O-CD2 3.44Å; K989-F993 PolarHBondContact O-N 2.76Å; K989-F993 VanDerWaalsContact O-N 3.15Å
990	L	86.6	Confident	86.2	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-46.4	-178.7	-61.8	-179.6	0	0	0	110.9	L979 L980 T986 D987 Y988 N994 A995	L979-L990 HydrophobicContact CD2-CD1 3.62Å; L979-L990 HydrophobicContact CD2-CD2 3.47Å; L979-L990 VanDerWaalsContact CD2-CD2 3.47Å; L979-L990 HydrophobicContact CD2-CG 4.17Å; L980-L990 HydrophobicContact CD2-CD1 3.84Å; L980-L990 HydrophobicContact CG-CD1 4.19Å; T986-L990 PolarHBondContact O-N 3.14Å; D987-L990 PolarHBondContact O-N 2.99Å; Y988-L990 PolarHBondContact O-N 3.45Å; L990-N994 CarbonylContact O-C 3.53Å; L990-N994 VanDerWaalsContact O-CA 3.3Å; L990-N994 WeakPolarHBondContact O-CA 3.44Å; L990-N994 PolarHBondContact O-N 3.04Å; L990-A995 HydrophobicContact CD2-CB 4.42Å; L990-A995 PolarHBondContact O-N 3.35Å
991	N	86.6	Confident	86.4	Confident	72 Å²	72	45 Å²	45	39%	0.385	24%	0.236	S	C	.	.	H	α-helix	trans	-71.3	-47	-179.1	-58.2	-20.5	0	0	0	111.9	R976 D987 Y988 F993 N994	R976-N991 PolarHBondContact NH2-OD1 2.64Å; D987-N991 PolarHBondContact O-N 2.93Å; D987-N991 PolarHBondContact O-ND2 2.93Å; D987-N991 PolarHBondContact OD2-ND2 3.34Å; Y988-N991 PolarHBondContact O-N 3.5Å; N991-F993 VanDerWaalsContact C-N 3.33Å; N991-F993 PolarHBondContact O-N 3.46Å; N991-N994 PolarHBondContact O-N 3.26Å
992	C	83.5	Confident	86.5	Confident	50 Å²	50	41.3 Å²	41.3	34%	0.338	22%	0.219	S	C	.	.	H	α-helix	trans	-70.5	-25.3	-175.3	-72	0	0	0	0	114	Q951 Y988	Q951-C992 PolarHBondContact NE2-O 3Å; Y988-C992 HydrophobicContact CD1-CB 4.46Å; Y988-C992 HydrophobicContact CE1-CB 4.21Å; Y988-C992 WeakPolarHBondContact O-CB 3.11Å; Y988-C992 PolarHBondContact O-N 3.22Å; Y988-C992 PolarHBondContact O-SG 3.29Å; Y988-C992 VanDerWaalsContact O-SG 3.39Å
993	F	84.3	Confident	86.8	Confident	9 Å²	9	41 Å²	41	4%	0.039	22%	0.218	C	C	.	.	H	α-helix	trans	-104.4	-1.4	176.5	-69.4	-91.6	0	0	0	113.7	T948 Q951 I953 V959 F960 K989 N991 A995	T948-F993 HydrophobicContact CG2-CE1 4.35Å; Q951-F993 HydrophobicContact CB-CE1 4.37Å; Q951-F993 HydrophobicContact CG-CD1 4.24Å; Q951-F993 HydrophobicContact CG-CE1 4.16Å; I953-F993 HydrophobicContact CD1-CE1 4.01Å; I953-F993 HydrophobicContact CD1-CZ 3.81Å; V959-F993 HydrophobicContact CB-CZ 4.36Å; V959-F993 HydrophobicContact CG1-CD1 4.46Å; V959-F993 HydrophobicContact CG1-CD2 3.96Å; V959-F993 HydrophobicContact CG1-CE1 4.02Å; V959-F993 HydrophobicContact CG1-CE2 3.48Å; V959-F993 VanDerWaalsContact CG1-CE2 3.48Å; V959-F993 HydrophobicContact CG1-CG 4.44Å; V959-F993 HydrophobicContact CG1-CZ 3.52Å; V959-F993 HydrophobicContact CG2-CE1 4.37Å; V959-F993 HydrophobicContact CG2-CZ 3.89Å; F960-F993 HydrophobicContact CE2-CB 4.39Å; F960-F993 HydrophobicContact CE2-CD1 4.29Å; F960-F993 HydrophobicContact CE2-CG 4.22Å; F960-F993 HydrophobicContact CZ-CB 3.83Å; F960-F993 HydrophobicContact CZ-CD1 4.42Å; F960-F993 HydrophobicContact CZ-CD2 4.19Å; F960-F993 AromaticContact CZ-CG 3.88Å; F960-F993 HydrophobicContact CZ-CG 3.88Å; K989-F993 WeakPolarHBondContact O-CB 3.44Å; K989-F993 WeakPolarHBondContact O-CD2 3.44Å; K989-F993 PolarHBondContact O-N 2.76Å; K989-F993 VanDerWaalsContact O-N 3.15Å; N991-F993 VanDerWaalsContact C-N 3.33Å; N991-F993 PolarHBondContact O-N 3.46Å; F993-A995 HydrophobicContact CB-CB 4.17Å; F993-A995 PolarHBondContact O-N 3.36Å
994	N	85.4	Confident	87.1	Confident	123 Å²	123	44 Å²	44	66%	0.658	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	33.2	-168.8	-59.8	-59.6	0	0	0	113.1	L990 N991 E996	L990-N994 CarbonylContact O-C 3.53Å; L990-N994 VanDerWaalsContact O-CA 3.3Å; L990-N994 WeakPolarHBondContact O-CA 3.44Å; L990-N994 PolarHBondContact O-N 3.04Å; N991-N994 PolarHBondContact O-N 3.26Å; N994-E996 VanDerWaalsContact C-N 3.34Å; N994-E996 PolarHBondContact O-N 3.41Å
995	A	84.3	Confident	87.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-78.7	-16.6	-167.3	0	0	0	0	0	114.2	L947 F960 L990 F993 S998 F999	L947-A995 HydrophobicContact CD1-CB 3.71Å; F960-A995 HydrophobicContact CE1-CB 4.18Å; F960-A995 HydrophobicContact CZ-CB 3.84Å; L990-A995 HydrophobicContact CD2-CB 4.42Å; L990-A995 PolarHBondContact O-N 3.35Å; F993-A995 HydrophobicContact CB-CB 4.17Å; F993-A995 PolarHBondContact O-N 3.36Å; A995-S998 PolarHBondContact O-N 2.75Å; A995-F999 HydrophobicContact CB-CD2 3.94Å; A995-F999 HydrophobicContact CB-CE2 3.65Å; A995-F999 HydrophobicContact CB-CZ 4.29Å; A995-F999 WeakPolarHBondContact O-CB 3.29Å; A995-F999 WeakPolarHBondContact O-CD2 3.45Å; A995-F999 WeakPolarHBondContact O-CG 2.86Å; A995-F999 PolarHBondContact O-N 3.26Å
996	E	87	Confident	87.7	Confident	58 Å²	58	46.9 Å²	46.9	27%	0.271	25%	0.247	S	C	.	.	H	α-helix	trans	-55.4	-52.4	-177	174.7	175	-135.8	0	0	112.9	R976 N994 L1000	R976-E996 WeakPolarHBondContact CB-OE1 3.38Å; R976-E996 VanDerWaalsContact CD-OE1 3.26Å; R976-E996 WeakPolarHBondContact CD-OE1 3.46Å; R976-E996 VanDerWaalsContact CG-OE1 3.24Å; R976-E996 WeakPolarHBondContact CG-OE1 3.41Å; R976-E996 IonicContact CZ-OE1 2.74Å; R976-E996 IonicContact NE-OE1 3.77Å; R976-E996 IonicContact NH1-OE1 3.87Å; R976-E996 PolarHBondContact NH1-OE1 2.79Å; R976-E996 IonicContact NH1-OE2 2.73Å; R976-E996 PolarHBondContact NH1-OE2 3.02Å; N994-E996 VanDerWaalsContact C-N 3.34Å; N994-E996 PolarHBondContact O-N 3.41Å; E996-L1000 HydrophobicContact CG-CD1 3.82Å; E996-L1000 WeakPolarHBondContact O-CB 3.27Å; E996-L1000 VanDerWaalsContact O-CG 3.3Å; E996-L1000 WeakPolarHBondContact O-CG 3.42Å; E996-L1000 PolarHBondContact O-N 2.9Å
997	S	87.1	Confident	87.8	Confident	77 Å²	77	50.4 Å²	50.4	54%	0.538	27%	0.266	S	S	.	.	H	α-helix	trans	-64.5	-46.9	-178	51.4	0	0	0	0	111.9	F999 L1000 E1001	S997-F999 PolarHBondContact O-N 3.2Å; S997-L1000 PolarHBondContact O-N 2.91Å; S997-E1001 VanDerWaalsContact O-CB 3.31Å; S997-E1001 WeakPolarHBondContact O-CB 3.03Å; S997-E1001 PolarHBondContact O-N 2.94Å
998	S	90.2	Very high	87.8	Confident	37 Å²	37	50.7 Å²	50.7	26%	0.259	27%	0.273	S	S	.	.	H	α-helix	trans	-64.8	-36.9	-179.7	-56.8	0	0	0	0	113.3	A995 I1002	A995-S998 PolarHBondContact O-N 2.75Å; S998-I1002 WeakPolarHBondContact O-CD1 3.31Å; S998-I1002 WeakPolarHBondContact O-CG1 3.39Å
999	F	91.9	Very high	87.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-74.9	-42.2	176.2	-66.4	-30.8	0	0	0	112.1	L940 A943 A944 L947 F960 M964 L965 M968 L979 A995 S997 I1002 T1003	L940-F999 HydrophobicContact CD2-CB 4.38Å; L940-F999 HydrophobicContact CD2-CD1 3.71Å; L940-F999 HydrophobicContact CD2-CE1 4.43Å; L940-F999 HydrophobicContact CD2-CG 4.35Å; A943-F999 HydrophobicContact CB-CD1 4.48Å; A943-F999 HydrophobicContact CB-CE1 4.29Å; A944-F999 HydrophobicContact CB-CE1 4.46Å; A944-F999 HydrophobicContact CB-CZ 4.47Å; L947-F999 HydrophobicContact CD1-CE1 4.24Å; L947-F999 HydrophobicContact CD1-CZ 4.16Å; F960-F999 AromaticContact CD1-CE2 3.97Å; F960-F999 HydrophobicContact CD1-CE2 3.97Å; F960-F999 AromaticContact CD1-CZ 3.97Å; F960-F999 HydrophobicContact CD1-CZ 3.97Å; F960-F999 HydrophobicContact CD2-CZ 4.43Å; F960-F999 AromaticContact CE1-CE2 3.79Å; F960-F999 HydrophobicContact CE1-CE2 3.79Å; F960-F999 HydrophobicContact CE1-CZ 4.04Å; F960-F999 HydrophobicContact CE2-CZ 4.49Å; F960-F999 HydrophobicContact CG-CZ 4.17Å; F960-F999 HydrophobicContact CZ-CE2 4.3Å; F960-F999 HydrophobicContact CZ-CZ 4.3Å; M964-F999 HydrophobicContact CE-CE2 4.24Å; L965-F999 HydrophobicContact CD2-CE1 4.25Å; L965-F999 HydrophobicContact CD2-CZ 4.16Å; M968-F999 HydrophobicContact CE-CD2 3.92Å; M968-F999 HydrophobicContact CE-CE2 4.31Å; M968-F999 HydrophobicContact SD-CD2 4.2Å; M968-F999 HydrophobicContact SD-CE2 4.49Å; M968-F999 HydrophobicContact SD-CG 4.34Å; L979-F999 HydrophobicContact CD1-CB 4.05Å; A995-F999 HydrophobicContact CB-CD2 3.94Å; A995-F999 HydrophobicContact CB-CE2 3.65Å; A995-F999 HydrophobicContact CB-CZ 4.29Å; A995-F999 WeakPolarHBondContact O-CB 3.29Å; A995-F999 WeakPolarHBondContact O-CD2 3.45Å; A995-F999 WeakPolarHBondContact O-CG 2.86Å; A995-F999 PolarHBondContact O-N 3.26Å; S997-F999 PolarHBondContact O-N 3.2Å; F999-I1002 PolarHBondContact O-N 2.89Å; F999-T1003 WeakPolarHBondContact O-CG2 3.24Å; F999-T1003 PolarHBondContact O-N 3.34Å; F999-T1003 PolarHBondContact O-OG1 2.91Å
1000	L	90.5	Very high	87.9	Confident	28 Å²	28	49.1 Å²	49.1	15%	0.147	27%	0.271	C	S	.	.	H	α-helix	trans	-66.3	-36.9	178	-71	173.1	0	0	0	112.7	L979 E996 S997 I1002 T1003 L1004	L979-L1000 HydrophobicContact CD1-CD2 3.73Å; L979-L1000 HydrophobicContact CD1-CG 3.93Å; E996-L1000 HydrophobicContact CG-CD1 3.82Å; E996-L1000 WeakPolarHBondContact O-CB 3.27Å; E996-L1000 VanDerWaalsContact O-CG 3.3Å; E996-L1000 WeakPolarHBondContact O-CG 3.42Å; E996-L1000 PolarHBondContact O-N 2.9Å; S997-L1000 PolarHBondContact O-N 2.91Å; L1000-I1002 VanDerWaalsContact C-N 3.32Å; L1000-I1002 PolarHBondContact O-N 2.9Å; L1000-T1003 WeakPolarHBondContact CA-OG1 3.39Å; L1000-T1003 PolarHBondContact O-N 3.48Å; L1000-T1003 PolarHBondContact O-OG1 3.41Å; L1000-L1004 VanDerWaalsContact O-CB 3.22Å; L1000-L1004 WeakPolarHBondContact O-CB 3.2Å; L1000-L1004 WeakPolarHBondContact O-CD1 3.43Å; L1000-L1004 WeakPolarHBondContact O-CG 3.37Å; L1000-L1004 PolarHBondContact O-N 2.61Å
1001	E	91	Very high	87.7	Confident	146 Å²	146	51 Å²	51	68%	0.682	29%	0.291	S	S	*	.	H	α-helix	trans	-58.9	-43.9	174.7	-176	174.3	-172.2	0	0	111.3	S997 N1005	S997-E1001 VanDerWaalsContact O-CB 3.31Å; S997-E1001 WeakPolarHBondContact O-CB 3.03Å; S997-E1001 PolarHBondContact O-N 2.94Å; E1001-N1005 WeakPolarHBondContact O-CB 3.27Å; E1001-N1005 PolarHBondContact O-N 2.95Å; E1001-N1005 VanDerWaalsContact O-N 3.15Å
1002	I	90.4	Very high	87.6	Confident	22 Å²	22	50 Å²	50	11%	0.113	29%	0.292	C	S	.	.	H	α-helix	trans	-69.5	-48.8	177.8	-64	167.5	0	0	0	110.9	E939 L940 A943 S998 F999 L1000 L1004 N1005 Y1006	E939-I1002 HydrophobicContact CB-CD1 4.36Å; E939-I1002 HydrophobicContact CB-CG2 4.04Å; L940-I1002 HydrophobicContact CD2-CB 4.1Å; L940-I1002 HydrophobicContact CD2-CD1 4.28Å; L940-I1002 HydrophobicContact CD2-CG2 3.93Å; L940-I1002 HydrophobicContact CG-CG2 3.93Å; A943-I1002 HydrophobicContact CB-CD1 3.67Å; S998-I1002 WeakPolarHBondContact O-CD1 3.31Å; S998-I1002 WeakPolarHBondContact O-CG1 3.39Å; F999-I1002 PolarHBondContact O-N 2.89Å; L1000-I1002 VanDerWaalsContact C-N 3.32Å; L1000-I1002 PolarHBondContact O-N 2.9Å; I1002-L1004 PolarHBondContact O-N 2.98Å; I1002-N1005 PolarHBondContact O-N 3.42Å; I1002-Y1006 HydrophobicContact CG2-CD2 3.9Å; I1002-Y1006 HydrophobicContact CG2-CE2 4.2Å; I1002-Y1006 WeakPolarHBondContact O-CD2 3.5Å; I1002-Y1006 PolarHBondContact O-N 2.86Å
1003	T	90.2	Very high	87.6	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.3	-37.2	-176.7	55	0	0	0	0	112.3	L940 L972 P973 F999 L1000 Y1006 L1007	L940-T1003 HydrophobicContact CD2-CG2 4.47Å; L972-T1003 HydrophobicContact CD2-CG2 4.37Å; P973-T1003 HydrophobicContact CG-CG2 4.08Å; P973-T1003 WeakPolarHBondContact O-CB 3.45Å; P973-T1003 PolarHBondContact O-OG1 2.89Å; F999-T1003 WeakPolarHBondContact O-CG2 3.24Å; F999-T1003 PolarHBondContact O-N 3.34Å; F999-T1003 PolarHBondContact O-OG1 2.91Å; L1000-T1003 WeakPolarHBondContact CA-OG1 3.39Å; L1000-T1003 PolarHBondContact O-N 3.48Å; L1000-T1003 PolarHBondContact O-OG1 3.41Å; T1003-Y1006 PolarHBondContact O-N 3.29Å; T1003-L1007 VanDerWaalsContact O-CB 3.22Å; T1003-L1007 WeakPolarHBondContact O-CB 3.44Å; T1003-L1007 PolarHBondContact O-N 3.37Å
1004	L	90.6	Very high	87.4	Confident	81 Å²	81	54.2 Å²	54.2	42%	0.424	31%	0.306	S	S	.	.	H	α-helix	trans	-66.3	-39.5	174.2	-70	170.5	0	0	0	112.5	A974 L1000 I1002 L1007 S1008	A974-L1004 HydrophobicContact CB-CD2 3.75Å; L1000-L1004 VanDerWaalsContact O-CB 3.22Å; L1000-L1004 WeakPolarHBondContact O-CB 3.2Å; L1000-L1004 WeakPolarHBondContact O-CD1 3.43Å; L1000-L1004 WeakPolarHBondContact O-CG 3.37Å; L1000-L1004 PolarHBondContact O-N 2.61Å; I1002-L1004 PolarHBondContact O-N 2.98Å; L1004-L1007 PolarHBondContact O-N 2.77Å; L1004-S1008 PolarHBondContact O-N 3Å
1005	N	90.2	Very high	87.2	Confident	79 Å²	79	50.5 Å²	50.5	42%	0.422	29%	0.293	S	S	.	.	H	α-helix	trans	-60	-49	173.6	-178.1	34.2	0	0	0	111.2	E1001 I1002 L1007 S1008 I1009	E1001-N1005 WeakPolarHBondContact O-CB 3.27Å; E1001-N1005 PolarHBondContact O-N 2.95Å; E1001-N1005 VanDerWaalsContact O-N 3.15Å; I1002-N1005 PolarHBondContact O-N 3.42Å; N1005-L1007 PolarHBondContact O-N 3.38Å; N1005-S1008 WeakPolarHBondContact O-CB 3.45Å; N1005-S1008 PolarHBondContact O-N 3.27Å; N1005-I1009 WeakPolarHBondContact O-CG1 3.47Å; N1005-I1009 PolarHBondContact O-N 3.13Å
1006	Y	88.7	Confident	87	Confident	12 Å²	12	54.8 Å²	54.8	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-70.8	-29.2	179.3	-82.8	-82.7	0	0	0	114	V932 Q935 C936 E939 I1002 T1003 I1009 L1010	V932-Y1006 HydrophobicContact CG1-CD1 3.6Å; V932-Y1006 HydrophobicContact CG1-CE1 4.04Å; V932-Y1006 WeakPolarHBondContact O-CE1 3.29Å; Q935-Y1006 HydrophobicContact CB-CE1 3.77Å; Q935-Y1006 WeakPolarHBondContact CB-OH 3.39Å; C936-Y1006 HydrophobicContact CB-CD1 3.58Å; C936-Y1006 HydrophobicContact CB-CD2 3.77Å; C936-Y1006 HydrophobicContact CB-CE1 3.99Å; C936-Y1006 HydrophobicContact CB-CE2 4.18Å; C936-Y1006 HydrophobicContact CB-CG 3.46Å; C936-Y1006 VanDerWaalsContact CB-CG 3.46Å; E939-Y1006 HydrophobicContact CB-CE2 4.48Å; E939-Y1006 HydrophobicContact CG-CE2 4.45Å; E939-Y1006 WeakPolarHBondContact OE1-CE2 3.35Å; E939-Y1006 PolarHBondContact OE1-OH 3.02Å; I1002-Y1006 HydrophobicContact CG2-CD2 3.9Å; I1002-Y1006 HydrophobicContact CG2-CE2 4.2Å; I1002-Y1006 WeakPolarHBondContact O-CD2 3.5Å; I1002-Y1006 PolarHBondContact O-N 2.86Å; T1003-Y1006 PolarHBondContact O-N 3.29Å; Y1006-I1009 HydrophobicContact CD1-CD1 4.1Å; Y1006-I1009 HydrophobicContact CE1-CD1 4.13Å; Y1006-I1009 PolarHBondContact O-N 3.14Å; Y1006-L1010 PolarHBondContact O-N 2.87Å
1007	L	88.5	Confident	86.5	Confident	80 Å²	80	55.7 Å²	55.7	42%	0.419	32%	0.317	S	S	.	.	H	α-helix	trans	-65.1	-39.5	170.2	-173.6	152.6	0	0	0	111.1	L972 A974 T1003 L1004 N1005 L1010 G1011	L972-L1007 HydrophobicContact CB-CB 4.41Å; L972-L1007 HydrophobicContact CB-CD1 4.48Å; L972-L1007 HydrophobicContact CD1-CB 4.41Å; A974-L1007 HydrophobicContact CB-CD1 4.47Å; T1003-L1007 VanDerWaalsContact O-CB 3.22Å; T1003-L1007 WeakPolarHBondContact O-CB 3.44Å; T1003-L1007 PolarHBondContact O-N 3.37Å; L1004-L1007 PolarHBondContact O-N 2.77Å; N1005-L1007 PolarHBondContact O-N 3.38Å; L1007-L1010 PolarHBondContact O-N 3.48Å; L1007-G1011 PolarHBondContact O-N 3.42Å
1008	S	87.2	Confident	86	Confident	79 Å²	79	57.4 Å²	57.4	55%	0.552	31%	0.314	S	S	*	.	H	α-helix	trans	-62.3	-46.2	172.6	-170.5	0	0	0	0	112	L1004 N1005 L1010 G1011 A1012	L1004-S1008 PolarHBondContact O-N 3Å; N1005-S1008 WeakPolarHBondContact O-CB 3.45Å; N1005-S1008 PolarHBondContact O-N 3.27Å; S1008-L1010 PolarHBondContact O-N 2.87Å; S1008-G1011 WeakPolarHBondContact O-CA 3.42Å; S1008-G1011 PolarHBondContact O-N 2.91Å; S1008-G1011 VanDerWaalsContact O-N 3.08Å; S1008-A1012 PolarHBondContact O-N 3.08Å
1009	I	86.4	Confident	85.3	Confident	58 Å²	58	61 Å²	61	30%	0.297	33%	0.328	S	S	.	.	H	α-helix	trans	-60.5	-44.1	177.3	-65	165.8	0	0	0	111.4	V932 N1005 Y1006 G1011 A1012 L1013	V932-I1009 HydrophobicContact CG1-CB 4.47Å; V932-I1009 HydrophobicContact CG1-CG2 3.84Å; V932-I1009 HydrophobicContact CG2-CG2 4.16Å; N1005-I1009 WeakPolarHBondContact O-CG1 3.47Å; N1005-I1009 PolarHBondContact O-N 3.13Å; Y1006-I1009 HydrophobicContact CD1-CD1 4.1Å; Y1006-I1009 HydrophobicContact CE1-CD1 4.13Å; Y1006-I1009 PolarHBondContact O-N 3.14Å; I1009-G1011 VanDerWaalsContact C-N 3.31Å; I1009-G1011 PolarHBondContact O-N 2.95Å; I1009-A1012 PolarHBondContact O-N 2.76Å; I1009-L1013 HydrophobicContact CG2-CD1 4.43Å; I1009-L1013 PolarHBondContact O-N 2.9Å; I1009-L1013 VanDerWaalsContact O-N 3.1Å
1010	L	84.4	Confident	84.2	Confident	19 Å²	19	66.7 Å²	66.7	10%	0.099	35%	0.354	C	S	.	.	H	α-helix	trans	-70.8	-25.1	175	-69.7	-168.9	0	0	0	113.5	Y929 V932 L972 Y1006 L1007 S1008 L1013 K1014	Y929-L1010 HydrophobicContact CD1-CD2 3.75Å; Y929-L1010 HydrophobicContact CE1-CD2 4.25Å; V932-L1010 HydrophobicContact CB-CD2 3.87Å; V932-L1010 HydrophobicContact CG1-CD2 3.6Å; V932-L1010 HydrophobicContact CG1-CG 4.03Å; V932-L1010 HydrophobicContact CG2-CD2 4.41Å; L972-L1010 HydrophobicContact CD1-CD1 3.64Å; L972-L1010 HydrophobicContact CD1-CG 4.39Å; Y1006-L1010 PolarHBondContact O-N 2.87Å; L1007-L1010 PolarHBondContact O-N 3.48Å; S1008-L1010 PolarHBondContact O-N 2.87Å; L1010-L1013 HydrophobicContact CD2-CD1 4.25Å; L1010-K1014 WeakPolarHBondContact O-CD 3.11Å; L1010-K1014 VanDerWaalsContact O-CG 3.29Å; L1010-K1014 WeakPolarHBondContact O-CG 3.18Å; L1010-K1014 PolarHBondContact O-N 2.89Å
1011	G	83.1	Confident	83.2	Confident	40 Å²	40	72.2 Å²	72.2	41%	0.412	38%	0.379	S	S	.	.	H	α-helix	trans	-66.8	-46.3	169.9	0	0	0	0	0	111.9	L1007 S1008 I1009 K1014 A1015	L1007-G1011 PolarHBondContact O-N 3.42Å; S1008-G1011 WeakPolarHBondContact O-CA 3.42Å; S1008-G1011 PolarHBondContact O-N 2.91Å; S1008-G1011 VanDerWaalsContact O-N 3.08Å; I1009-G1011 VanDerWaalsContact C-N 3.31Å; I1009-G1011 PolarHBondContact O-N 2.95Å; G1011-K1014 PolarHBondContact O-N 3.04Å; G1011-A1015 PolarHBondContact O-N 2.75Å; G1011-A1015 VanDerWaalsContact O-N 3.09Å
1012	A	84.6	Confident	82	Confident	51 Å²	51	70.9 Å²	70.9	42%	0.421	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-47.1	177.3	0	0	0	0	0	112.3	S1008 I1009 K1014 A1015 E1016	S1008-A1012 PolarHBondContact O-N 3.08Å; I1009-A1012 PolarHBondContact O-N 2.76Å; A1012-K1014 VanDerWaalsContact C-N 3.3Å; A1012-K1014 PolarHBondContact O-N 2.61Å; A1012-A1015 WeakPolarHBondContact O-CA 3.44Å; A1012-A1015 WeakPolarHBondContact O-CB 3.39Å; A1012-A1015 PolarHBondContact O-N 2.69Å; A1012-E1016 PolarHBondContact O-N 3.05Å
1013	L	82.7	Confident	80.4	Confident	24 Å²	24	76.2 Å²	76.2	13%	0.126	40%	0.399	C	S	.	.	H	α-helix	trans	-60.9	-36.4	177.9	-73.4	170.8	0	0	0	113.1	V932 I1009 L1010 A1015 E1016 E1017	V932-L1013 HydrophobicContact CG2-CD1 3.81Å; I1009-L1013 HydrophobicContact CG2-CD1 4.43Å; I1009-L1013 PolarHBondContact O-N 2.9Å; I1009-L1013 VanDerWaalsContact O-N 3.1Å; L1010-L1013 HydrophobicContact CD2-CD1 4.25Å; L1013-A1015 VanDerWaalsContact C-N 3.34Å; L1013-E1016 PolarHBondContact O-N 3.13Å; L1013-E1017 WeakPolarHBondContact O-CG 3.22Å; L1013-E1017 PolarHBondContact O-N 2.94Å
1014	K	81.9	Confident	78.6	Confident	125 Å²	125	82.2 Å²	82.2	54%	0.543	43%	0.431	S	S	.	.	H	α-helix	trans	-69	-31.1	173.7	-73.9	171.5	-178.7	176.2	0	112.9	Y929 L1010 G1011 A1012 K1018	Y929-K1014 HydrophobicContact CE1-CG 4.09Å; Y929-K1014 VanDerWaalsContact OH-CG 3.26Å; Y929-K1014 WeakPolarHBondContact OH-CG 3.46Å; L1010-K1014 WeakPolarHBondContact O-CD 3.11Å; L1010-K1014 VanDerWaalsContact O-CG 3.29Å; L1010-K1014 WeakPolarHBondContact O-CG 3.18Å; L1010-K1014 PolarHBondContact O-N 2.89Å; G1011-K1014 PolarHBondContact O-N 3.04Å; A1012-K1014 VanDerWaalsContact C-N 3.3Å; A1012-K1014 PolarHBondContact O-N 2.61Å; K1014-K1018 WeakPolarHBondContact O-CB 3.49Å; K1014-K1018 PolarHBondContact O-N 2.72Å; K1014-K1018 VanDerWaalsContact O-N 3.13Å
1015	A	80.5	Confident	76.3	Confident	45 Å²	45	83 Å²	83	37%	0.372	44%	0.439	S	S	.	.	H	α-helix	trans	-69.8	-47	173.2	0	0	0	0	0	110.8	G1011 A1012 L1013 E1017 K1018 E1019	G1011-A1015 PolarHBondContact O-N 2.75Å; G1011-A1015 VanDerWaalsContact O-N 3.09Å; A1012-A1015 WeakPolarHBondContact O-CA 3.44Å; A1012-A1015 WeakPolarHBondContact O-CB 3.39Å; A1012-A1015 PolarHBondContact O-N 2.69Å; L1013-A1015 VanDerWaalsContact C-N 3.34Å; A1015-E1017 VanDerWaalsContact C-N 3.33Å; A1015-E1017 PolarHBondContact O-N 3.42Å; A1015-K1018 PolarHBondContact O-N 3.04Å; A1015-E1019 WeakPolarHBondContact O-CB 3.33Å; A1015-E1019 WeakPolarHBondContact O-CG 3.39Å; A1015-E1019 PolarHBondContact O-N 3.19Å
1016	E	79.7	Confident	74	Confident	90 Å²	90	84.9 Å²	84.9	42%	0.421	46%	0.455	S	S	.	.	H	α-helix	trans	-55.3	-45	174.3	-70.5	178.7	-168.5	0	0	112.2	R928 A1012 L1013 H1020	R928-E1016 IonicContact NH1-OE2 3.37Å; A1012-E1016 PolarHBondContact O-N 3.05Å; L1013-E1016 PolarHBondContact O-N 3.13Å; E1016-H1020 WeakPolarHBondContact O-CB 3.27Å; E1016-H1020 PolarHBondContact O-CD2 2.86Å; E1016-H1020 PolarHBondContact O-N 2.98Å
1017	E	76.4	Confident	71.5	Confident	76 Å²	76	93.5 Å²	93.5	36%	0.355	50%	0.496	S	S	.	.	H	α-helix	trans	-65.1	-42.5	178	-75.1	177.4	173.1	0	0	111.8	Y929 L1013 A1015 H1020 E1021	Y929-E1017 WeakPolarHBondContact CE2-OE1 3.42Å; Y929-E1017 WeakPolarHBondContact CE2-OE2 3.21Å; Y929-E1017 PolarHBondContact OH-OE2 3.48Å; L1013-E1017 WeakPolarHBondContact O-CG 3.22Å; L1013-E1017 PolarHBondContact O-N 2.94Å; A1015-E1017 VanDerWaalsContact C-N 3.33Å; A1015-E1017 PolarHBondContact O-N 3.42Å; E1017-H1020 WeakPolarHBondContact O-CB 3.5Å; E1017-H1020 PolarHBondContact O-N 2.72Å; E1017-E1021 PolarHBondContact O-N 3.07Å
1018	K	76.4	Confident	69.2	Low	113 Å²	113	98.6 Å²	98.6	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-67.5	-39.7	177.4	-176	178.2	173.9	-62.7	0	112.8	K1014 A1015 H1020 E1021 E1022	K1014-K1018 WeakPolarHBondContact O-CB 3.49Å; K1014-K1018 PolarHBondContact O-N 2.72Å; K1014-K1018 VanDerWaalsContact O-N 3.13Å; A1015-K1018 PolarHBondContact O-N 3.04Å; K1018-H1020 VanDerWaalsContact C-N 3.31Å; K1018-E1021 PolarHBondContact O-N 3.12Å; K1018-E1022 WeakPolarHBondContact CE-OE1 3.18Å; K1018-E1022 IonicContact NZ-OE1 3.37Å; K1018-E1022 PolarHBondContact NZ-OE1 3.23Å; K1018-E1022 IonicContact NZ-OE2 2.66Å; K1018-E1022 WeakPolarHBondContact O-CG 3.5Å; K1018-E1022 PolarHBondContact O-N 3.44Å
1019	E	75.2	Confident	67	Low	114 Å²	114	100.1 Å²	100.1	53%	0.533	53%	0.529	S	S	.	.	H	α-helix	trans	-63.9	-37.5	172.8	-74.8	179.8	-168.8	0	0	111.3	A1015 E1022 M1023	A1015-E1019 WeakPolarHBondContact O-CB 3.33Å; A1015-E1019 WeakPolarHBondContact O-CG 3.39Å; A1015-E1019 PolarHBondContact O-N 3.19Å; E1019-E1022 PolarHBondContact O-N 3.42Å; E1019-M1023 HydrophobicContact CB-CE 4.06Å; E1019-M1023 WeakPolarHBondContact O-CB 3.41Å; E1019-M1023 WeakPolarHBondContact O-CE 3.37Å; E1019-M1023 WeakPolarHBondContact O-CG 3.47Å; E1019-M1023 PolarHBondContact O-N 3.37Å
1020	H	70.2	Confident	64.5	Low	118 Å²	118	105.1 Å²	105.1	55%	0.546	56%	0.555	S	S	.	*	H	α-helix	trans	-67	-36	172.2	-92.1	-60.2	0	0	0	113.5	E1016 E1017 K1018 N1024	E1016-H1020 WeakPolarHBondContact O-CB 3.27Å; E1016-H1020 PolarHBondContact O-CD2 2.86Å; E1016-H1020 PolarHBondContact O-N 2.98Å; E1017-H1020 WeakPolarHBondContact O-CB 3.5Å; E1017-H1020 PolarHBondContact O-N 2.72Å; K1018-H1020 VanDerWaalsContact C-N 3.31Å; H1020-N1024 WeakPolarHBondContact O-CB 3.48Å; H1020-N1024 PolarHBondContact O-N 3.35Å; H1020-N1024 PolarHBondContact O-ND2 3.17Å
1021	E	67.9	Low	62.3	Low	145 Å²	145	110.3 Å²	110.3	68%	0.678	59%	0.59	S	S	*	*	H	α-helix	trans	-66.5	-43.9	172.8	-72.5	-174.4	155.5	0	0	111.6	E1017 K1018 N1024 T1025	E1017-E1021 PolarHBondContact O-N 3.07Å; K1018-E1021 PolarHBondContact O-N 3.12Å; E1021-N1024 PolarHBondContact O-N 3.49Å; E1021-T1025 PolarHBondContact O-N 3.48Å; E1021-T1025 PolarHBondContact O-OG1 2.93Å; E1021-T1025 VanDerWaalsContact O-OG1 3.06Å
1022	E	67	Low	60.2	Low	118 Å²	118	116.4 Å²	116.4	55%	0.551	61%	0.612	S	S	*	*	H	α-helix	trans	-66.1	-41.5	178.8	-74.1	175.1	-174.3	0	0	112.1	K1018 E1019 N1024 T1025	K1018-E1022 WeakPolarHBondContact CE-OE1 3.18Å; K1018-E1022 IonicContact NZ-OE1 3.37Å; K1018-E1022 PolarHBondContact NZ-OE1 3.23Å; K1018-E1022 IonicContact NZ-OE2 2.66Å; K1018-E1022 WeakPolarHBondContact O-CG 3.5Å; K1018-E1022 PolarHBondContact O-N 3.44Å; E1019-E1022 PolarHBondContact O-N 3.42Å; E1022-N1024 VanDerWaalsContact C-N 3.32Å; E1022-N1024 PolarHBondContact O-N 3.28Å; E1022-T1025 PolarHBondContact O-N 3.03Å
1023	M	57.2	Low	57.8	Low	134 Å²	134	121.8 Å²	121.8	66%	0.66	63%	0.632	S	S	*	*	H	α-helix	trans	-68.4	-24.5	175.1	-78.2	-173.2	-84.6	0	0	114.4	E1019 T1025	E1019-M1023 HydrophobicContact CB-CE 4.06Å; E1019-M1023 WeakPolarHBondContact O-CB 3.41Å; E1019-M1023 WeakPolarHBondContact O-CE 3.37Å; E1019-M1023 WeakPolarHBondContact O-CG 3.47Å; E1019-M1023 PolarHBondContact O-N 3.37Å; M1023-T1025 VanDerWaalsContact C-N 3.34Å
1024	N	52	Low	55.7	Low	126 Å²	126	126.3 Å²	126.3	67%	0.674	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	2.7	177.6	-79.8	-66.2	0	0	0	113.7	H1020 E1021 E1022 P1026	H1020-N1024 WeakPolarHBondContact O-CB 3.48Å; H1020-N1024 PolarHBondContact O-N 3.35Å; H1020-N1024 PolarHBondContact O-ND2 3.17Å; E1021-N1024 PolarHBondContact O-N 3.49Å; E1022-N1024 VanDerWaalsContact C-N 3.32Å; E1022-N1024 PolarHBondContact O-N 3.28Å; N1024-P1026 WeakPolarHBondContact O-CD 3.32Å
1025	T	42.8	Very low	53.5	Low	96 Å²	96	125.8 Å²	125.8	59%	0.589	68%	0.678	S	S	*	*	S	Bend	trans	-84.1	117.6	179.6	-61.8	0	0	0	0	111.3	E1021 E1022 M1023 Q1027	E1021-T1025 PolarHBondContact O-N 3.48Å; E1021-T1025 PolarHBondContact O-OG1 2.93Å; E1021-T1025 VanDerWaalsContact O-OG1 3.06Å; E1022-T1025 PolarHBondContact O-N 3.03Å; M1023-T1025 VanDerWaalsContact C-N 3.34Å; T1025-Q1027 PolarHBondContact O-N 2.71Å
1026	P	40.9	Very low	51.5	Low	119 Å²	119	129.6 Å²	129.6	77%	0.773	70%	0.702	S	S	*	*			trans	-69.6	120.8	-173.8	-21.2	34.2	0	0	0	114	N1024 Q1028	N1024-P1026 WeakPolarHBondContact O-CD 3.32Å; P1026-Q1028 PolarHBondContact O-N 3.15Å
1027	Q	36.5	Very low	49.5	Very low	193 Å²	193	137.3 Å²	137.3	90%	0.902	73%	0.727	S	S	*	*			trans	-80.6	95.4	175.1	-71.3	-172.9	-19.9	0	0	112.7	T1025	T1025-Q1027 PolarHBondContact O-N 2.71Å
1028	Q	41.1	Very low	47.5	Very low	188 Å²	188	137 Å²	137	88%	0.879	74%	0.744	S	S	*	*			trans	-160.2	134.8	165	-100.7	162.6	50.5	0	0	108.8	P1026	P1026-Q1028 PolarHBondContact O-N 3.15Å
1029	S	39.9	Very low	45.6	Very low	111 Å²	111	144.1 Å²	144.1	78%	0.776	77%	0.768	S	S	*	*			cis	-154.9	163.7	-8.6	56.9	0	0	0	0	110.5
1030	L	34.8	Very low	43.7	Very low	162 Å²	162	142 Å²	142	85%	0.848	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-75.9	139.2	-176.6	-70.8	161.6	0	0	0	113	L1032	L1030-L1032 PolarHBondContact O-N 3.43Å
1031	P	37.9	Very low	42	Very low	129 Å²	129	148 Å²	148	84%	0.838	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-76.2	117.3	166	-8.3	25.1	0	0	0	110.7
1032	L	38.5	Very low	40.5	Very low	168 Å²	168	145.1 Å²	145.1	88%	0.88	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-81.1	154.2	174.7	-99.2	165.6	0	0	0	112.6	L1030	L1030-L1032 PolarHBondContact O-N 3.43Å
1033	I	33.8	Very low	39	Very low	163 Å²	163	146.3 Å²	146.3	84%	0.836	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-72.6	133	-172.2	-60.1	163.6	0	0	0	111.5
1034	S	39.5	Very low	38	Very low	119 Å²	119	149.3 Å²	149.3	83%	0.832	81%	0.811	S	S	*	*			trans	-145.1	155.7	148.5	62.8	0	0	0	0	110.2
1035	S	34.6	Very low	37.2	Very low	114 Å²	114	146.4 Å²	146.4	80%	0.797	80%	0.804	S	S	*	*			trans	-123.3	142.5	-163.9	58.5	0	0	0	0	113.2
1036	S	39.8	Very low	36.8	Very low	125 Å²	125	150.2 Å²	150.2	87%	0.874	81%	0.812	S	S	*	*			trans	-169.4	164.8	147.6	46.4	0	0	0	0	110.3
1037	R	36.2	Very low	36.5	Very low	253 Å²	253	156 Å²	156	96%	0.955	82%	0.819	S	S	*	*			trans	-112	120.7	-161.7	-67.7	171.1	171.8	157.5	-5.5	113.7
1038	G	35	Very low	36.2	Very low	70 Å²	70	150.4 Å²	150.4	72%	0.722	81%	0.813	S	S	*	*				90	153.7	111.3	0	0	0	0	0	120.7
1039	R	36.4	Very low	35.9	Very low	261 Å²	261	152.6 Å²	152.6	99%	0.985	81%	0.814	S	S	*	*			trans	65.8	133.3	173.2	-60.3	178.5	171.7	-177.7	-2.9	116.1
1040	G	35.4	Very low	35.7	Very low	71 Å²	71	153.5 Å²	153.5	73%	0.732	82%	0.815	S	S	*	*			cis	162.8	170.6	-10.7	0	0	0	0	0	114.7
1041	R	35.2	Very low	35.9	Very low	244 Å²	244	154.9 Å²	154.9	92%	0.921	81%	0.814	S	S	*	*			trans	61.4	95.3	162.8	-102.8	-172.9	171.1	173	-3.1	119.8
1042	S	36.6	Very low	35.6	Very low	84 Å²	84	152.6 Å²	152.6	59%	0.587	81%	0.806	S	S	*	*				76.3	140.7	109.1	69.8	0	0	0	0	123.1
1043	N	35.7	Very low	35.4	Very low	143 Å²	143	155.6 Å²	155.6	77%	0.765	81%	0.807	S	S	*	*			trans	95.4	138.6	144.7	-66.8	-14.8	0	0	0	120.8
1044	F	35.3	Very low	35.4	Very low	197 Å²	197	152 Å²	152	86%	0.864	80%	0.796	S	S	*	*			trans	67.2	152.6	164.1	-87.6	-131.6	0	0	0	118.2
1045	A	34.8	Very low	35.2	Very low	65 Å²	65	152.1 Å²	152.1	54%	0.537	79%	0.792	S	S	.	*			cis	-171.2	152.6	-28.1	0	0	0	0	0	111.9
1046	K	35.3	Very low	35.4	Very low	175 Å²	175	156.9 Å²	156.9	76%	0.761	80%	0.799	S	S	*	*			trans	55.8	130.2	146	-72.5	170.7	179.1	170.5	0	120.9
1047	R	34	Very low	35	Very low	241 Å²	241	160 Å²	160	91%	0.909	80%	0.797	S	S	*	*			trans	68.8	139.8	154.4	-61	163.9	170.2	172.1	-6.4	115.3
1048	G	30.5	Very low	35.1	Very low	76 Å²	76	156.2 Å²	156.2	78%	0.784	79%	0.794	S	S	*	*			cis	101.2	91.2	0.6	0	0	0	0	0	113.6
1049	R	35.7	Very low	34.9	Very low	234 Å²	234	159 Å²	159	88%	0.883	80%	0.797	S	S	*	*			trans	-159.8	145.9	165.5	-155.3	171.2	-172	166.1	4.2	112.2
1050	T	35.1	Very low	34.9	Very low	130 Å²	130	152.7 Å²	152.7	80%	0.798	79%	0.793	S	S	*	*			trans	-99	149.4	174.1	44.7	0	0	0	0	112.4
1051	K	37.8	Very low	34.7	Very low	190 Å²	190	155.2 Å²	155.2	83%	0.826	80%	0.799	S	S	*	*			trans	-172.3	135.7	159	-99.1	172.9	-179.1	-169.4	0	106.3
1052	A	33	Very low	34.5	Very low	82 Å²	82	147.2 Å²	147.2	68%	0.678	79%	0.792	S	S	*	*			cis	96.8	110.9	21.5	0	0	0	0	0	115
1053	Y	34.3	Very low	34.1	Very low	230 Å²	230	147.5 Å²	147.5	90%	0.902	81%	0.809	S	S	*	*			trans	62.7	154.6	170	-74.2	-101.9	0	0	0	116.1
1054	S	34.2	Very low	34	Very low	87 Å²	87	144.3 Å²	144.3	61%	0.608	81%	0.81	S	S	*	*			cis	-159.5	152.7	20.9	-161.3	0	0	0	0	114.9
1055	T	35.4	Very low	33.8	Very low	123 Å²	123	144.2 Å²	144.2	76%	0.755	81%	0.812	S	S	*	*			trans	39.1	132.9	144.4	52.3	0	0	0	0	123.6
1056	K	37.2	Very low	33.8	Very low	214 Å²	214	152.9 Å²	152.9	93%	0.93	83%	0.831	S	S	*	*				-149.2	145.9	114.9	-113.9	172.5	-176.3	178	0	111.7
1057	K	32.1	Very low	33.5	Very low	190 Å²	190	154 Å²	154	83%	0.826	84%	0.836	S	S	*	*			trans	-91.2	157.4	172.2	-69.4	-179.3	177	179.6	0	110.1
1058	I	37.3	Very low	33.5	Very low	174 Å²	174	152.2 Å²	152.2	89%	0.892	83%	0.829	S	S	*	*				-163.1	158.7	122.7	-100.1	155.5	0	0	0	108.6
1059	T	31.6	Very low	33.5	Very low	128 Å²	128	155.5 Å²	155.5	79%	0.785	83%	0.829	S	S	*	*			trans	-120.2	138.3	-166.1	48.6	0	0	0	0	112.8
1060	S	36.4	Very low	33.4	Very low	129 Å²	129	153.6 Å²	153.6	90%	0.902	82%	0.823	S	S	*	*			trans	-155.2	160.9	150.6	59.6	0	0	0	0	110.8
1061	S	30.6	Very low	33.1	Very low	123 Å²	123	154.9 Å²	154.9	86%	0.86	82%	0.824	S	S	*	*			trans	-94	135.9	-172.1	51.5	0	0	0	0	113
1062	G	32.4	Very low	33	Very low	76 Å²	76	154.4 Å²	154.4	78%	0.784	82%	0.822	S	S	*	*			trans	-163.1	131.6	167.1	0	0	0	0	0	110.7
1063	G	28.3	Very low	32.9	Very low	91 Å²	91	154.1 Å²	154.1	94%	0.938	83%	0.827	S	S	*	*			trans	-74.7	140.1	175.8	0	0	0	0	0	111.4
1064	G	33	Very low	32.7	Very low	76 Å²	76	149.6 Å²	149.6	78%	0.784	81%	0.812	S	S	*	*			trans	-156.2	123.1	178	0	0	0	0	0	111.5
1065	E	31.1	Very low	32.6	Very low	195 Å²	195	154.7 Å²	154.7	91%	0.911	82%	0.82	S	S	*	*			trans	-78.2	143.4	-172	-66.7	166.2	110.7	0	0	112.7	K1067	E1065-K1067 PolarHBondContact O-N 3.11Å
1066	R	34.5	Very low	32.5	Very low	246 Å²	246	156.4 Å²	156.4	93%	0.928	82%	0.819	S	S	*	*			trans	-81.8	101.7	177.4	-80.9	-180	165	170.7	-5.2	110.8	R1068	R1066-R1068 PolarHBondContact O-N 2.97Å
1067	K	29.9	Very low	32.1	Very low	199 Å²	199	155.9 Å²	155.9	87%	0.865	82%	0.817	S	S	*	*			trans	-51.3	125.1	167.4	-67.8	-176.1	176.5	-177.4	0	110.9	E1065	E1065-K1067 PolarHBondContact O-N 3.11Å
1068	R	34.3	Very low	32	Very low	203 Å²	203	156.1 Å²	156.1	77%	0.766	82%	0.818	S	S	*	*			trans	-117.4	124.8	159.9	-81.5	-177.9	167	164.8	-5.5	107.7	R1066 Y1070	R1066-R1068 PolarHBondContact O-N 2.97Å; R1068-Y1070 HydrophobicContact CB-CD2 4.15Å; R1068-Y1070 HydrophobicContact CB-CE2 3.77Å; R1068-Y1070 PolarHBondContact O-N 3.1Å
1069	N	29.7	Very low	31.6	Very low	146 Å²	146	152.6 Å²	152.6	78%	0.781	81%	0.809	S	S	*	*			trans	-77.6	118.1	-179.9	-65.9	-7.4	0	0	0	109.8
1070	Y	32.6	Very low	31.5	Very low	194 Å²	194	153.6 Å²	153.6	76%	0.761	81%	0.809	S	S	*	*			trans	-127.4	113.5	168.2	-72.5	-81.4	0	0	0	109	R1068	R1068-Y1070 HydrophobicContact CB-CD2 4.15Å; R1068-Y1070 HydrophobicContact CB-CE2 3.77Å; R1068-Y1070 PolarHBondContact O-N 3.1Å
1071	L	29.1	Very low	31.5	Very low	156 Å²	156	153.5 Å²	153.5	82%	0.817	81%	0.806	S	S	*	*			trans	-92.4	120.3	167.6	-78.3	80.6	0	0	0	108.8
1072	F	35.3	Very low	31.5	Very low	180 Å²	180	153.2 Å²	153.2	79%	0.789	80%	0.803	S	S	*	*			trans	-171	105	139.7	-103	-63.6	0	0	0	110.1	V778	V778-F1072 HydrophobicContact CG1-CD2 4.01Å; V778-F1072 HydrophobicContact CG1-CE2 3.69Å
1073	G	31.1	Very low	31.7	Very low	76 Å²	76	155.6 Å²	155.6	78%	0.784	81%	0.808	S	S	*	*			trans	-78.7	148.7	-179.8	0	0	0	0	0	113.5
1074	K	31.6	Very low	31.8	Very low	135 Å²	135	157 Å²	157	59%	0.587	80%	0.803	S	S	*	*			trans	-112.3	126.5	170.3	-77.2	178.6	170.7	176.8	0	110.2
1075	Y	30.8	Very low	31.9	Very low	195 Å²	195	158.3 Å²	158.3	77%	0.765	81%	0.807	S	S	*	*			trans	-73.8	142.1	170.1	-79.4	-91.7	0	0	0	111.6
1076	Q	33.1	Very low	31.9	Very low	159 Å²	159	154 Å²	154	74%	0.743	80%	0.799	S	S	*	*			trans	-135.2	131.4	157	-77	-162.3	-25.2	0	0	109.3
1077	F	29.1	Very low	31.9	Very low	202 Å²	202	147.6 Å²	147.6	89%	0.886	79%	0.792	S	S	*	*			trans	-79.2	136.7	161.8	-88	-93.4	0	0	0	109.6
1078	K	30.5	Very low	31.9	Very low	196 Å²	196	143.4 Å²	143.4	85%	0.852	79%	0.787	S	S	*	*			trans	-133.6	154.5	163	-95.8	-172.1	174.8	-178.3	0	109.2
1079	S	28.3	Very low	31.8	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	79%	0.793	S	S	*	*			trans	-113.2	154.5	-163.7	54	0	0	0	0	113.8
1080	N	30.5	Very low	31.8	Very low	149 Å²	149	138.6 Å²	138.6	80%	0.797	80%	0.796	S	S	*	*			trans	71.5	151.8	168.3	-53.7	1.1	0	0	0	114
1081	P	35.3	Very low	31.7	Very low	127 Å²	127	134.2 Å²	134.2	83%	0.825	80%	0.8	S	S	*	*				-113.1	179.3	73.3	38	-37.5	0	0	0	115
1082	S	30.3	Very low	31.6	Very low	116 Å²	116	130.2 Å²	130.2	81%	0.811	80%	0.797	S	S	*	*			trans	-72.9	145.3	-177.1	49.8	0	0	0	0	115.4
1083	S	36.5	Very low	31.4	Very low	126 Å²	126	133.2 Å²	133.2	88%	0.881	80%	0.803	S	S	*	*			trans	-144.1	150.4	142.4	62.7	0	0	0	0	109.9
1084	S	31.9	Very low	31.3	Very low	120 Å²	120	139.1 Å²	139.1	84%	0.839	81%	0.807	S	S	*	*			trans	-112.3	127.4	-168.5	53.5	0	0	0	0	112.9
1085	A	34.4	Very low	31.2	Very low	105 Å²	105	142.9 Å²	142.9	87%	0.868	82%	0.818	S	S	*	*			trans	-160	129.3	154.5	0	0	0	0	0	111.4
1086	S	30.8	Very low	31.1	Very low	104 Å²	104	143.4 Å²	143.4	73%	0.727	82%	0.824	S	S	*	*			trans	-74.8	149.1	158.9	58.3	0	0	0	0	109.2
1087	S	34.7	Very low	31	Very low	112 Å²	112	140.4 Å²	140.4	78%	0.783	83%	0.826	S	S	*	*				-168.2	166.8	70	56.3	0	0	0	0	114.3
1088	S	30.9	Very low	31.3	Very low	110 Å²	110	136.7 Å²	136.7	77%	0.769	82%	0.822	S	S	*	*			trans	-70.5	147.8	176.7	53.1	0	0	0	0	114.9
1089	S	31.4	Very low	31.1	Very low	126 Å²	126	133.4 Å²	133.4	88%	0.881	82%	0.819	S	S	*	*				-169.2	168.5	125.5	48.2	0	0	0	0	111.8
1090	S	28.8	Very low	31.2	Very low	122 Å²	122	134 Å²	134	85%	0.853	82%	0.823	S	S	*	*			trans	-118.8	116.2	-162.1	54.7	0	0	0	0	114.5
1091	A	32	Very low	31.2	Very low	103 Å²	103	133 Å²	133	85%	0.851	82%	0.822	S	S	*	*			trans	-162.9	140.8	150.4	0	0	0	0	0	108.5
1092	G	26.2	Very low	30.9	Very low	72 Å²	72	136.5 Å²	136.5	74%	0.742	83%	0.825	S	S	*	*			cis	114.7	68.1	3.1	0	0	0	0	0	112.9
1093	W	31.5	Very low	30.8	Very low	242 Å²	242	137.9 Å²	137.9	92%	0.917	82%	0.824	S	S	*	*			trans	-130.5	132.8	172.1	-93.2	2.2	0	0	0	112.8
1094	K	27.8	Very low	30.5	Very low	201 Å²	201	137.9 Å²	137.9	87%	0.874	82%	0.818	S	S	*	*			trans	-94.6	139.2	168.2	-66.2	176.2	178.5	175.5	0	110.2
1095	R	30.5	Very low	30.4	Very low	214 Å²	214	139.2 Å²	139.2	81%	0.808	82%	0.816	S	S	*	*			trans	-161.9	104.3	147.3	-108	166.7	-109.9	-151.7	0.9	107.2
1096	K	28.4	Very low	30.2	Very low	205 Å²	205	140.4 Å²	140.4	89%	0.891	81%	0.813	S	S	*	*				74.7	108.8	94	-82.8	-164.6	173.1	-171.1	0	112.8
1097	A	32.1	Very low	30.1	Very low	96 Å²	96	145.4 Å²	145.4	79%	0.793	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-83.4	157.4	162.5	0	0	0	0	0	111
1098	P	34.8	Very low	29.7	Very low	124 Å²	124	148.1 Å²	148.1	81%	0.805	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-100.2	144.5	156.8	35.4	-27.9	0	0	0	111.5
1099	T	27	Very low	29.9	Very low	127 Å²	127	148.1 Å²	148.1	78%	0.779	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-101.8	158.5	171.7	45.9	0	0	0	0	110.9
1100	S	29.8	Very low	29.9	Very low	112 Å²	112	151.9 Å²	151.9	78%	0.783	82%	0.82	S	S	*	*			trans	64	156.3	173.1	62.8	0	0	0	0	115
1101	T	29.6	Very low	30	Very low	128 Å²	128	153.9 Å²	153.9	79%	0.785	82%	0.82	S	S	*	*			cis	-141.5	160.1	18.3	-45	0	0	0	0	111.1
1102	F	29.3	Very low	30	Very low	201 Å²	201	157.5 Å²	157.5	88%	0.882	82%	0.822	S	S	*	*			trans	-55	137.9	164.4	-84.1	-107.7	0	0	0	111
1103	N	29.5	Very low	30.2	Very low	146 Å²	146	163.7 Å²	163.7	78%	0.781	83%	0.828	S	S	*	*			trans	-152.2	132.3	145	-135.6	-7.8	0	0	0	110.9
1104	T	28.8	Very low	30.3	Very low	125 Å²	125	160 Å²	160	77%	0.767	83%	0.825	S	S	*	*			trans	-79.5	121.1	176.5	46.2	0	0	0	0	109.7
1105	N	30.6	Very low	30.4	Very low	148 Å²	148	156 Å²	156	79%	0.791	82%	0.822	S	S	*	*			trans	-133	118.1	168.1	-94.5	-37.4	0	0	0	110.6
1106	T	29	Very low	30.7	Very low	131 Å²	131	152.2 Å²	152.2	80%	0.804	82%	0.823	S	S	*	*			trans	-60.5	132	172.6	38.6	0	0	0	0	111.2	Q1108	T1106-Q1108 PolarHBondContact O-N 3.3Å; T1106-Q1108 VanDerWaalsContact O-N 3.13Å
1107	F	29	Very low	31.1	Very low	208 Å²	208	151.5 Å²	151.5	91%	0.912	82%	0.82	S	S	*	*			trans	-82.4	88.9	179.7	-156.8	-90.7	0	0	0	110.3
1108	Q	27.5	Very low	31	Very low	170 Å²	170	158.3 Å²	158.3	79%	0.794	83%	0.825	S	S	*	*			trans	-80.1	122.3	168.1	-79.4	-169.9	-21.2	0	0	110	T1106	T1106-Q1108 PolarHBondContact O-N 3.3Å; T1106-Q1108 VanDerWaalsContact O-N 3.13Å
1109	P	34.5	Very low	31	Very low	109 Å²	109	163.8 Å²	163.8	71%	0.708	85%	0.848	S	S	*	*			trans	-68	132.3	168.1	28.9	-32.7	0	0	0	109.7	L1111	P1109-L1111 PolarHBondContact O-N 3.11Å; P1109-L1111 VanDerWaalsContact O-N 3.14Å
1110	K	31.1	Very low	31.2	Very low	205 Å²	205	165.7 Å²	165.7	89%	0.891	85%	0.851	S	S	*	*			trans	-76.4	101.1	177.1	-77.1	-174.7	175.9	-179.2	0	110.5	M1112	K1110-M1112 PolarHBondContact O-N 2.89Å; K1110-M1112 VanDerWaalsContact O-N 3.11Å
1111	L	30.8	Very low	31.3	Very low	165 Å²	165	168.5 Å²	168.5	86%	0.864	86%	0.855	S	S	*	*			trans	-57	110.4	163.9	-91.6	159.5	0	0	0	110.6	P1109 K1113	P1109-L1111 PolarHBondContact O-N 3.11Å; P1109-L1111 VanDerWaalsContact O-N 3.14Å; L1111-K1113 PolarHBondContact O-N 3.34Å
1112	M	33.1	Very low	31.4	Very low	179 Å²	179	170.7 Å²	170.7	88%	0.882	86%	0.859	S	S	*	*			trans	-71.5	109	164	-86.2	-172.3	160.2	0	0	109	K1110 L1114	K1110-M1112 PolarHBondContact O-N 2.89Å; K1110-M1112 VanDerWaalsContact O-N 3.11Å; M1112-L1114 PolarHBondContact O-N 2.81Å; M1112-L1114 VanDerWaalsContact O-N 3.1Å
1113	K	29.2	Very low	31.5	Very low	201 Å²	201	168.9 Å²	168.9	87%	0.874	86%	0.857	S	S	*	*			trans	-72.5	98	171.8	-73.1	-175	175.4	-177.3	0	110.3	L1111	L1111-K1113 PolarHBondContact O-N 3.34Å
1114	L	33.7	Very low	31.7	Very low	165 Å²	165	170.4 Å²	170.4	86%	0.864	86%	0.862	S	S	*	*			trans	-79	112.7	156.5	-78.6	168	0	0	0	108.6	M1112 V1116	M1112-L1114 PolarHBondContact O-N 2.81Å; M1112-L1114 VanDerWaalsContact O-N 3.1Å; L1114-V1116 PolarHBondContact O-N 3.22Å
1115	S	30.3	Very low	31.9	Very low	116 Å²	116	173.4 Å²	173.4	81%	0.811	87%	0.868	S	S	*	*			trans	-87.1	101.9	177	58.4	0	0	0	0	110.6
1116	V	35.8	Very low	31.9	Very low	136 Å²	136	175.2 Å²	175.2	82%	0.824	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-83.9	120.8	165.6	-177.3	0	0	0	0	108	L1114	L1114-V1116 PolarHBondContact O-N 3.22Å
1117	K	38	Very low	32.2	Very low	189 Å²	189	178.6 Å²	178.6	82%	0.822	88%	0.879	S	S	*	*	P	Polyproline II helix	trans	-70.6	148.8	169.3	-76.7	-176.2	174.6	-177.7	0	109.4
1118	R	29.3	Very low	32.4	Very low	240 Å²	240	176.2 Å²	176.2	91%	0.906	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-76.8	130.9	160.1	-72.9	177.4	172.2	156.1	-4.3	109
1119	D	36.1	Very low	32.9	Very low	239 Å²	239	176.7 Å²	176.7	100%	1.278	88%	0.884	S	S	*	*			trans	-132	0	132.7	-76.9	-55.4	0	0	0	106.3

Retrieved 1,119 of 1,119 residues in 2011.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).