A0A5K4EUL8_SCHMA Loading...

DH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EUL8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,019 aa.

						>A0A5K4EUL8_SCHMA|A0A5K4EUL8
MESTEVNCSENSAIQETTTTITTATSTTIVNKITTDKTTTEDHYDIPNNQTEVLTKTTHSDTCNNNDLQSNVNSYENTLTESKVSVDEVENSQDLNKTNTGITIIRDETMNPHIDTFKSEVIPMNTDVSTENTDEVKMKKDKTHMETSEQLQQNSLKNNEDIKTEVELSFTKNSPDISTRNNSSINQSNENYITAHEESVVNNDKDDDKNSPKHPHRPPPPKLSQTKHTSGSLSYSGGENDELTSKNDNSQIDNNNNYETNPKTSLKQQQNDQQKPQYKRPSMKSNIKHVFTNLRKSFKRKDKPSVKRVVSNHDDVENKYTYNSQQPMTTHSYYNNSNNYNDHRNKQSNSLSSSTPHQYYRNSNEIQENQSQLSNEQSLNISITDSLQQLKRPEEDLDIVYSTELIAPPAIPTKMSSDPNNPIYVNHSIKPNRPPNIDRKENDYTDYPTRPRLYQPTYQSATLSFNEYDHHYNNGTLKPRRPKIITERYKCSEVYNWPPKFPKLKRRKTNPPKQIHTAQDHIVIKQQLKTSAENNHSSPVQHTQSNTEQIQCIKVNNQYQSPNGKRELSVSPEPQVTSLHSLQRSTLLEKSNRTSGTETRDQLFIADYKLAPNNQIGSTKPDSLALPYFAKMTENKRFSKFHYNTTTNNNTSNNNNNNIAVSAEVMRSESPKSSTTLKDALKIMHPLFQCLQDKQPTTSSSPTDNHESQNSKLLIDCLSEYLFTCMKLRSLDLQGEFATFVFPLKNFNEQVWNKYGIIDNWNEISIVCAPNTNYEYVVLNTAKESAQKIRFPTKTIDKLLTNWLDNQTTKTPSPENRHSMEKKNNTEKTSDNKLLHSISLAVTLKSLLNLFEKHKEESKAEAESGEQQHQHHHHEQQQCVDLFLTCIKLNVLLSLSECLDKDKSIQLDLIPEHILLILTPSNCLTIFKQYEKDKLPNTDSNHNEVILKETNLQCLLDALHIQSHSMNDSINDVLKQFYEIIQHNYQSKEMIISLLKSIAPPDWITMCVARICLYNQTNS
					

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.3	Very low	36.2	Very low	245 Å²	245	140.1 Å²	140.1	100%	1.207	77%	0.768	S	S	*	*				0	91.2	0	-79.3	176.4	165.9	0	0	106.5
2	E	34.2	Very low	35.8	Very low	182 Å²	182	138.4 Å²	138.4	85%	0.85	77%	0.774	S	S	*	*			trans	-74.7	164.9	165.1	-58.4	126.4	110.1	0	0	110.2
3	S	34.7	Very low	35.6	Very low	112 Å²	112	134.3 Å²	134.3	78%	0.783	77%	0.769	S	S	*	*			trans	163.3	132.7	140.7	-95.7	0	0	0	0	109.9
4	T	36.2	Very low	35.3	Very low	99 Å²	99	135.2 Å²	135.2	61%	0.607	77%	0.767	S	S	*	*			cis	-164.9	-172.2	-23.4	-13.4	0	0	0	0	107.3
5	E	39	Very low	35.1	Very low	163 Å²	163	138.2 Å²	138.2	76%	0.762	77%	0.772	S	S	*	*			trans	73.9	140.6	140.7	-79.2	153.2	-109.3	0	0	119.9
6	V	39.3	Very low	34.7	Very low	114 Å²	114	140.7 Å²	140.7	69%	0.691	78%	0.776	S	S	*	*			cis	-165.5	173	-13.6	75.7	0	0	0	0	112.6
7	N	37.1	Very low	34.6	Very low	128 Å²	128	140.4 Å²	140.4	68%	0.684	78%	0.78	S	S	*	*			trans	81.7	105.7	158.1	-77.9	-2.6	0	0	0	121.6
8	C	34.8	Very low	34.3	Very low	112 Å²	112	139.2 Å²	139.2	76%	0.757	78%	0.776	S	S	*	*				65.1	146.2	111.1	-65.1	0	0	0	0	122.5
9	S	32.6	Very low	34.1	Very low	93 Å²	93	138.1 Å²	138.1	65%	0.65	77%	0.774	S	S	*	*			cis	-176.2	152.3	-27.7	43.2	0	0	0	0	110.6
10	E	34.6	Very low	33.8	Very low	163 Å²	163	137 Å²	137	76%	0.762	77%	0.771	S	S	*	*			trans	80.5	138.6	149	-94	-177.4	-134.1	0	0	123
11	N	35.1	Very low	33.6	Very low	130 Å²	130	137 Å²	137	70%	0.695	77%	0.767	S	S	*	*			trans	80.4	74.8	148.9	-57	-27.6	0	0	0	121.6
12	S	31.2	Very low	33	Very low	120 Å²	120	131.2 Å²	131.2	84%	0.839	75%	0.746	S	S	*	*				56	107.4	113.5	172.9	0	0	0	0	120.4
13	A	33.8	Very low	32.8	Very low	85 Å²	85	128.6 Å²	128.6	70%	0.702	74%	0.743	S	S	*	*				-162.6	118.8	126.2	0	0	0	0	0	114.3
14	I	31.9	Very low	32.6	Very low	147 Å²	147	127.4 Å²	127.4	75%	0.754	74%	0.74	S	S	*	*			trans	63.7	119.2	130.1	-61	173.7	0	0	0	120.8
15	Q	31.5	Very low	32.2	Very low	180 Å²	180	129 Å²	129	84%	0.841	75%	0.75	S	S	*	*			trans	79.1	111.1	150.8	-79.5	169.8	-34.6	0	0	122.3
16	E	29.1	Very low	31.8	Very low	178 Å²	178	126.8 Å²	126.8	83%	0.832	75%	0.752	S	S	*	*			trans	-58.7	155.9	155.9	-48.8	143	127.3	0	0	112
17	T	32.9	Very low	31.4	Very low	136 Å²	136	127.3 Å²	127.3	83%	0.834	76%	0.756	S	S	*	*			trans	-148.7	127.1	134.9	-48.1	0	0	0	0	110
18	T	28.4	Very low	30.9	Very low	118 Å²	118	127.4 Å²	127.4	72%	0.724	76%	0.761	S	S	*	*			trans	-80.2	137.5	176.7	-49.1	0	0	0	0	111.2
19	T	31.2	Very low	30.8	Very low	119 Å²	119	130 Å²	130	73%	0.73	77%	0.766	S	S	*	*			trans	-135.2	77.7	166.8	-47	0	0	0	0	111.6	I21	T19-I21 HydrophobicContact CG2-CG1 4Å; T19-I21 PolarHBondContact O-N 3.4Å
20	T	28	Very low	30.6	Very low	116 Å²	116	131 Å²	131	71%	0.712	77%	0.768	S	S	*	*			trans	-76.1	110.9	164.6	-54.5	0	0	0	0	108.3	T22	T20-T22 PolarHBondContact O-N 3.3Å; T20-T22 VanDerWaalsContact O-N 3.16Å
21	I	30	Very low	30.4	Very low	136 Å²	136	129.4 Å²	129.4	70%	0.697	76%	0.764	S	S	*	*			trans	-82.6	96.2	-178.4	-58.3	179.5	0	0	0	109.7	T19	T19-I21 HydrophobicContact CG2-CG1 4Å; T19-I21 PolarHBondContact O-N 3.4Å
22	T	27.5	Very low	30.1	Very low	125 Å²	125	131.9 Å²	131.9	77%	0.767	77%	0.769	S	S	*	*			trans	-97.2	101.7	166	-56.2	0	0	0	0	108.9	T20	T20-T22 PolarHBondContact O-N 3.3Å; T20-T22 VanDerWaalsContact O-N 3.16Å
23	T	30.1	Very low	30.1	Very low	127 Å²	127	134 Å²	134	78%	0.779	77%	0.769	S	S	*	*			trans	-91.6	110.2	177.4	-53	0	0	0	0	110.5
24	A	31.4	Very low	30	Very low	86 Å²	86	135.4 Å²	135.4	71%	0.711	77%	0.769	S	S	*	*			trans	-83.6	163	172.2	0	0	0	0	0	112.2
25	T	26.6	Very low	30	Very low	133 Å²	133	134.6 Å²	134.6	82%	0.816	77%	0.771	S	S	*	*			trans	-64.6	148.4	175.1	40.7	0	0	0	0	113.2
26	S	31.1	Very low	30.1	Very low	116 Å²	116	133.2 Å²	133.2	81%	0.811	77%	0.77	S	S	*	*				179.9	146.8	126.8	-81.8	0	0	0	0	115.6
27	T	31.1	Very low	30.3	Very low	126 Å²	126	133.7 Å²	133.7	77%	0.773	77%	0.769	S	S	*	*			trans	-21.9	132.5	171.1	46.1	0	0	0	0	122.1
28	T	27.2	Very low	30.4	Very low	130 Å²	130	133.3 Å²	133.3	80%	0.798	77%	0.767	S	S	*	*			trans	5.8	118.1	130.8	-44.4	0	0	0	0	119.5
29	I	31.3	Very low	30.7	Very low	167 Å²	167	133.6 Å²	133.6	86%	0.856	77%	0.768	S	S	*	*			trans	-138.2	140.5	146.7	-67.7	-171.7	0	0	0	109.8
30	V	28.8	Very low	31	Very low	113 Å²	113	134.1 Å²	134.1	69%	0.685	77%	0.771	S	S	*	*			trans	-83.2	135.4	175.8	173.1	0	0	0	0	110.9
31	N	30.1	Very low	31.4	Very low	129 Å²	129	136.8 Å²	136.8	69%	0.69	78%	0.776	S	S	*	*			trans	-179.2	122.8	132.5	-101.4	-61.7	0	0	0	115.2
32	K	28.3	Very low	31.7	Very low	183 Å²	183	137 Å²	137	80%	0.796	78%	0.778	S	S	*	*				33.6	97	115.7	-167.4	-178.8	-174.6	178.4	0	117.3
33	I	32.6	Very low	32.2	Very low	163 Å²	163	138.6 Å²	138.6	84%	0.836	78%	0.777	S	S	*	*			trans	-115.7	116.4	162.1	-64.5	-180	0	0	0	109.3
34	T	31.9	Very low	32.5	Very low	116 Å²	116	142.1 Å²	142.1	71%	0.712	78%	0.777	S	S	*	*			trans	-80.2	144.7	164.9	-49.8	0	0	0	0	108.7
35	T	30.9	Very low	32.8	Very low	130 Å²	130	144 Å²	144	80%	0.798	78%	0.776	S	S	*	*			trans	-64.5	136.7	174.5	50.8	0	0	0	0	112.5
36	D	33	Very low	33.4	Very low	151 Å²	151	144.7 Å²	144.7	81%	0.807	77%	0.773	S	S	*	*			trans	-149.1	171.5	142.5	-132.4	-36.4	0	0	0	112.7
37	K	34.7	Very low	33.7	Very low	187 Å²	187	143.8 Å²	143.8	81%	0.813	76%	0.764	S	S	*	*			trans	-104.9	165.2	-151.6	-55.5	164.2	-173.6	169.5	0	115.8
38	T	34.4	Very low	34.1	Very low	129 Å²	129	144.3 Å²	144.3	79%	0.791	76%	0.762	S	S	*	*			trans	-128.8	116.6	153.7	34.1	0	0	0	0	112.9
39	T	34.3	Very low	34.6	Very low	124 Å²	124	144.2 Å²	144.2	76%	0.761	76%	0.757	S	S	*	*			trans	52.6	120	143	55.2	0	0	0	0	122.9
40	T	37.8	Very low	34.8	Very low	129 Å²	129	143.7 Å²	143.7	79%	0.791	75%	0.751	S	S	*	*			trans	129.7	131.9	151	51.6	0	0	0	0	111.9
41	E	35.7	Very low	35	Very low	173 Å²	173	143.7 Å²	143.7	81%	0.808	75%	0.751	S	S	*	*			cis	-155.6	-174	-20.8	-134.4	160.4	-168.9	0	0	108.7
42	D	36.6	Very low	35.2	Very low	139 Å²	139	145 Å²	145	74%	0.743	75%	0.753	S	S	*	*			trans	66.9	97.8	170	-65.7	-18.2	0	0	0	122.3
43	H	38.3	Very low	35.2	Very low	160 Å²	160	142.2 Å²	142.2	74%	0.741	75%	0.751	S	S	*	*			trans	42.3	109.9	130.1	-62.5	-59	0	0	0	123
44	Y	36.3	Very low	35.2	Very low	200 Å²	200	141.3 Å²	141.3	78%	0.784	75%	0.747	S	S	*	*				177.6	125.2	91.1	-104.8	-76.4	0	0	0	112.8
45	D	37.8	Very low	35	Very low	127 Å²	127	141 Å²	141	68%	0.679	75%	0.745	S	S	*	*			trans	31.7	143.1	140.2	-61.9	-2.7	0	0	0	122.4
46	I	39.4	Very low	35	Very low	147 Å²	147	144.6 Å²	144.6	75%	0.754	75%	0.75	S	S	*	*			cis	-165.4	167.4	-0.7	-114	167.8	0	0	0	108.1
47	P	37.9	Very low	34.8	Very low	97 Å²	97	143.4 Å²	143.4	63%	0.63	75%	0.748	S	S	*	*				-128.8	-157.1	-121.6	47.3	-36.4	0	0	0	118.1
48	N	38.8	Very low	34.5	Very low	136 Å²	136	139.4 Å²	139.4	73%	0.727	74%	0.74	S	S	*	*			trans	79.8	121.4	159.7	-67.5	-3.6	0	0	0	118.1
49	N	37	Very low	34.4	Very low	128 Å²	128	141 Å²	141	68%	0.684	74%	0.738	S	S	*	*			cis	-153.9	130.2	49.4	-95.8	-19.9	0	0	0	112
50	Q	35.7	Very low	34.1	Very low	157 Å²	157	139.1 Å²	139.1	73%	0.734	73%	0.729	S	S	*	*				74.8	102.6	98.2	-69.8	-172.8	-7.7	0	0	115.7
51	T	33.9	Very low	33.7	Very low	113 Å²	113	139.9 Å²	139.9	69%	0.693	73%	0.729	S	S	*	*				70.9	148.8	100.4	18.1	0	0	0	0	114.8
52	E	34.1	Very low	33.4	Very low	156 Å²	156	137.5 Å²	137.5	73%	0.729	73%	0.726	S	S	*	*			cis	-157.7	138.5	6	-144	144.9	-134.2	0	0	105.1
53	V	28.7	Very low	33	Very low	124 Å²	124	136.2 Å²	136.2	75%	0.752	73%	0.727	S	S	*	*			cis	76.3	143.7	49.1	-169.2	0	0	0	0	114.3
54	L	31.2	Very low	32.6	Very low	144 Å²	144	134.7 Å²	134.7	75%	0.754	72%	0.724	S	S	*	*			trans	78.9	160	-178.3	-62.8	110	0	0	0	118.3
55	T	29.4	Very low	32.4	Very low	109 Å²	109	131.3 Å²	131.3	67%	0.669	72%	0.72	S	S	*	*				179.9	134.6	-78.4	38.3	0	0	0	0	110.6
56	K	29.1	Very low	32.2	Very low	206 Å²	206	130.7 Å²	130.7	90%	0.896	72%	0.716	S	S	*	*			trans	63.8	164.4	171.1	-55.5	177.3	180	178	0	112.8
57	T	30.2	Very low	31.9	Very low	127 Å²	127	129.5 Å²	129.5	78%	0.779	71%	0.711	S	S	*	*			cis	-144.5	171.4	24.5	-57.9	0	0	0	0	111.1
58	T	28.2	Very low	31.8	Very low	103 Å²	103	130.9 Å²	130.9	63%	0.632	71%	0.713	S	S	*	*			trans	-63.1	149.9	169.8	41.2	0	0	0	0	113
59	H	32.3	Very low	31.5	Very low	163 Å²	163	132.4 Å²	132.4	76%	0.755	72%	0.715	S	S	*	*				166.5	132.2	115	-92.1	-71.1	0	0	0	114.6
60	S	28.5	Very low	31.2	Very low	83 Å²	83	130.3 Å²	130.3	58%	0.58	71%	0.711	S	S	*	*			trans	22.6	123.9	146	40.8	0	0	0	0	123
61	D	28.5	Very low	31	Very low	145 Å²	145	129.6 Å²	129.6	78%	0.775	71%	0.712	S	S	*	*				89.1	136.5	123.7	-58.4	-20.9	0	0	0	124.4
62	T	30.2	Very low	30.8	Very low	124 Å²	124	129.8 Å²	129.8	76%	0.761	71%	0.713	S	S	*	*			trans	66.1	122.9	156.9	45.4	0	0	0	0	121
63	C	27.1	Very low	30.7	Very low	112 Å²	112	129.3 Å²	129.3	76%	0.757	72%	0.715	S	S	*	*				40	140.7	127.1	-50.9	0	0	0	0	119.6
64	N	31.1	Very low	30.6	Very low	127 Å²	127	127.1 Å²	127.1	68%	0.679	71%	0.706	S	S	*	*			cis	-169.7	153.7	32.2	-145.2	4.7	0	0	0	111.6
65	N	30.9	Very low	30.6	Very low	130 Å²	130	128.8 Å²	128.8	70%	0.695	70%	0.703	S	S	*	*			trans	62.6	162.4	154.2	-68.1	-11.4	0	0	0	117.9
66	N	34.1	Very low	30.4	Very low	114 Å²	114	131.1 Å²	131.1	61%	0.61	71%	0.707	S	S	*	*			cis	-151.8	173.8	8.8	-141.3	28.5	0	0	0	111.8
67	D	33.8	Very low	30.4	Very low	121 Å²	121	128.6 Å²	128.6	65%	0.647	70%	0.703	S	S	*	*			trans	70.1	136.7	144.9	-75.4	-32.1	0	0	0	120.4
68	L	34.4	Very low	30.2	Very low	126 Å²	126	128.1 Å²	128.1	66%	0.66	70%	0.7	S	S	*	*			cis	-145	144.6	5.2	-82.6	119.7	0	0	0	112.9
69	Q	33.2	Very low	30.2	Very low	168 Å²	168	131.2 Å²	131.2	79%	0.785	71%	0.712	S	S	*	*			trans	59.9	149.6	135.3	-66.4	179.8	3.3	0	0	122.2
70	S	30.5	Very low	29.9	Very low	85 Å²	85	129.3 Å²	129.3	59%	0.594	71%	0.712	S	S	*	*			cis	-167.3	172.2	-16.1	54.2	0	0	0	0	111.6
71	N	31.5	Very low	30.1	Very low	142 Å²	142	134.6 Å²	134.6	76%	0.759	73%	0.727	S	S	*	*			trans	64.8	108.3	168.8	-62.1	-7.8	0	0	0	116.5
72	V	29.2	Very low	30.1	Very low	117 Å²	117	132.1 Å²	132.1	71%	0.709	72%	0.721	S	S	*	*			cis	69.7	104.3	35.1	-166.5	0	0	0	0	113.8
73	N	32	Very low	30.3	Very low	145 Å²	145	135.9 Å²	135.9	78%	0.775	73%	0.727	S	S	*	*				-164.4	165.8	111.4	-106.2	-65.9	0	0	0	113.4
74	S	26.2	Very low	30.4	Very low	79 Å²	79	136.1 Å²	136.1	55%	0.552	73%	0.725	S	S	*	*			trans	-111.5	-154.9	-167.5	53	0	0	0	0	113
75	Y	31.2	Very low	30.5	Very low	179 Å²	179	135.3 Å²	135.3	70%	0.702	73%	0.729	S	S	*	*			trans	79.6	122.2	177.9	-51	-73.2	0	0	0	113.7
76	E	25.6	Very low	30.6	Very low	158 Å²	158	134.7 Å²	134.7	74%	0.738	73%	0.73	S	S	*	*				59.1	103.2	62.6	-63.3	-171.5	130	0	0	112.7
77	N	30.1	Very low	30.6	Very low	152 Å²	152	135.4 Å²	135.4	81%	0.813	73%	0.733	S	S	*	*				-172.8	159.9	103.9	-101.2	-63.6	0	0	0	113.2
78	T	24.7	Very low	30.6	Very low	118 Å²	118	137.3 Å²	137.3	72%	0.724	74%	0.738	S	S	*	*			trans	-72.4	147	161.4	44.1	0	0	0	0	110.7
79	L	29.4	Very low	30.7	Very low	168 Å²	168	136.3 Å²	136.3	88%	0.88	74%	0.738	S	S	*	*				-163.3	165	127.8	-132	70.9	0	0	0	112.8
80	T	26.2	Very low	30.6	Very low	123 Å²	123	136.2 Å²	136.2	76%	0.755	74%	0.737	S	S	*	*			trans	-117.8	141	-172.9	51.4	0	0	0	0	112
81	E	32.1	Very low	30.6	Very low	194 Å²	194	137.6 Å²	137.6	91%	0.907	74%	0.738	S	S	*	*			trans	-156.9	119.6	150.3	-110.2	175.4	-154.5	0	0	107.2
82	S	27.9	Very low	30.6	Very low	92 Å²	92	135 Å²	135	64%	0.643	73%	0.731	S	S	*	*			cis	96.9	95.5	26.1	-164.7	0	0	0	0	114.7
83	K	34.3	Very low	30.6	Very low	204 Å²	204	137.4 Å²	137.4	89%	0.887	73%	0.734	S	S	*	*			trans	-174.4	92.7	147.5	-100.6	149.8	-172.5	166.3	0	107.9
84	V	30	Very low	30.6	Very low	117 Å²	117	136.2 Å²	136.2	71%	0.709	73%	0.728	S	S	*	*				87.2	133.7	62.2	171	0	0	0	0	112.6
85	S	33.3	Very low	30.8	Very low	109 Å²	109	138.9 Å²	138.9	76%	0.762	74%	0.735	S	S	*	*			trans	98.1	134.8	163.8	72.2	0	0	0	0	119.4
86	V	33	Very low	30.9	Very low	117 Å²	117	136.4 Å²	136.4	71%	0.709	73%	0.734	S	S	*	*			cis	-163.2	162	-30.1	85.3	0	0	0	0	110.1
87	D	34.6	Very low	31.1	Very low	129 Å²	129	138 Å²	138	69%	0.69	74%	0.739	S	S	*	*			trans	65.5	143.6	161.1	-59.6	-11.8	0	0	0	120.2
88	E	34.2	Very low	30.8	Very low	161 Å²	161	136.5 Å²	136.5	75%	0.752	74%	0.735	S	S	*	*			cis	-158.3	155.1	-7.4	-118.8	-169	151.7	0	0	113.6
89	V	34.8	Very low	31.1	Very low	106 Å²	106	138 Å²	138	64%	0.642	74%	0.739	S	S	*	*			trans	66.2	106.3	141.8	171.9	0	0	0	0	122.3
90	E	32.1	Very low	30.9	Very low	166 Å²	166	136.7 Å²	136.7	78%	0.776	74%	0.738	S	S	*	*				58.5	153.2	125.7	-57.1	-158.7	147	0	0	123.3
91	N	30.9	Very low	31	Very low	114 Å²	114	134.4 Å²	134.4	61%	0.61	74%	0.738	S	S	*	*			cis	-152.7	151	-8.3	-130.4	-44.8	0	0	0	113.8
92	S	30.1	Very low	30.7	Very low	87 Å²	87	132.7 Å²	132.7	61%	0.608	73%	0.734	S	S	*	*			trans	47.2	133.5	141.8	-70.8	0	0	0	0	124.8
93	Q	30.4	Very low	30.7	Very low	167 Å²	167	135 Å²	135	78%	0.78	74%	0.744	S	S	*	*			trans	70.5	138.6	145.3	-65.4	177.8	-69.3	0	0	119.3
94	D	31.2	Very low	30.4	Very low	120 Å²	120	132.3 Å²	132.3	64%	0.642	74%	0.738	S	S	*	*			cis	-159.6	161.9	2.1	-125	-35.8	0	0	0	114.4
95	L	31.6	Very low	30.4	Very low	136 Å²	136	133.5 Å²	133.5	71%	0.712	74%	0.739	S	S	*	*			trans	58.3	120.4	152.5	-70.3	159.9	0	0	0	124.1
96	N	32.2	Very low	30.3	Very low	126 Å²	126	139.9 Å²	139.9	67%	0.674	75%	0.746	S	S	*	*			trans	87.1	87	139.3	-70.8	-31.4	0	0	0	123.2
97	K	30.1	Very low	30.1	Very low	193 Å²	193	141 Å²	141	84%	0.839	75%	0.749	S	S	*	*				58.5	96.4	123	-68.3	-178.5	177.8	177.9	0	119.6
98	T	24.4	Very low	30	Very low	119 Å²	119	143.2 Å²	143.2	73%	0.73	76%	0.755	S	S	*	*			trans	-65.1	158.9	134	52.1	0	0	0	0	111.1
99	N	29.5	Very low	29.8	Very low	150 Å²	150	141.6 Å²	141.6	80%	0.802	76%	0.756	S	S	*	*				-175.1	123.8	112.2	-91.7	0.1	0	0	0	113.1
100	T	26.8	Very low	29.5	Very low	141 Å²	141	145 Å²	145	87%	0.865	77%	0.767	S	S	*	*			trans	-67.5	137.7	158.2	44	0	0	0	0	110.5
101	G	27.6	Very low	29.4	Very low	74 Å²	74	144.9 Å²	144.9	76%	0.763	77%	0.772	S	S	*	*			trans	-133	106.9	172.3	0	0	0	0	0	111.4
102	I	25.7	Very low	29.8	Very low	158 Å²	158	144.4 Å²	144.4	81%	0.81	78%	0.775	S	S	*	*			trans	-103.9	122.1	167.6	-60.7	171.3	0	0	0	106.8
103	T	27.7	Very low	29.9	Very low	141 Å²	141	148.9 Å²	148.9	87%	0.865	79%	0.786	S	S	*	*			trans	-130.9	145.6	171.4	-47.7	0	0	0	0	109.6
104	I	29.4	Very low	30	Very low	148 Å²	148	147.7 Å²	147.7	76%	0.759	78%	0.783	S	S	*	*			trans	-114	151.2	-167.4	-64.8	169.5	0	0	0	109.9
105	I	28.4	Very low	30.2	Very low	142 Å²	142	148.5 Å²	148.5	73%	0.728	79%	0.787	S	S	*	*			trans	-53.5	142.9	178	-58.1	160.6	0	0	0	112.1
106	R	31.3	Very low	30.2	Very low	242 Å²	242	146 Å²	146	91%	0.913	78%	0.778	S	S	*	*			trans	-140.2	142.6	149.1	-82.7	-162.7	175.3	118.9	-0.2	110.5
107	D	30.3	Very low	30.3	Very low	142 Å²	142	148.4 Å²	148.4	76%	0.759	78%	0.783	S	S	*	*			trans	-90.9	-175.4	170.7	-62.7	-71.7	0	0	0	111.7
108	E	31.9	Very low	30.6	Very low	175 Å²	175	146.3 Å²	146.3	82%	0.818	77%	0.774	S	S	*	*			trans	91.3	99.4	159.2	-55.8	-166.2	153.6	0	0	119.9
109	T	28.9	Very low	31.1	Very low	126 Å²	126	145.3 Å²	145.3	77%	0.773	77%	0.772	S	S	*	*			trans	73.8	112.9	131.4	58.5	0	0	0	0	122.3
110	M	29.7	Very low	31.4	Very low	177 Å²	177	144.4 Å²	144.4	87%	0.872	76%	0.762	S	S	*	*				43.5	111.3	127.6	-69.6	-68.2	179.6	0	0	120.4
111	N	30.3	Very low	31.8	Very low	165 Å²	165	144 Å²	144	88%	0.882	76%	0.759	S	S	*	*				-157.3	143	118.2	-131.9	-0.6	0	0	0	111
112	P	38.3	Very low	32.2	Very low	104 Å²	104	147.4 Å²	147.4	68%	0.675	76%	0.759	S	S	*	*			trans	-101.3	154.6	-179.7	37.4	-31.9	0	0	0	113.4
113	H	31.6	Very low	32.9	Very low	181 Å²	181	145.1 Å²	145.1	84%	0.838	75%	0.754	S	S	*	*			trans	-152.2	157.2	145.2	-143.3	-88.5	0	0	0	113.3
114	I	34	Very low	33.2	Very low	141 Å²	141	146.2 Å²	146.2	72%	0.723	75%	0.752	S	S	*	*			trans	-102.4	147.1	-177.1	-63.6	156.4	0	0	0	109.6
115	D	34.2	Very low	33.5	Very low	137 Å²	137	144.7 Å²	144.7	73%	0.733	75%	0.745	S	S	*	*			trans	174.9	146.1	143.8	-102.6	-37.4	0	0	0	112.3
116	T	32	Very low	33.7	Very low	84 Å²	84	143 Å²	143	52%	0.515	74%	0.741	S	S	.	*			cis	-158.5	169.4	-13.9	-26.9	0	0	0	0	110.1
117	F	35	Very low	33.9	Very low	177 Å²	177	137.8 Å²	137.8	78%	0.776	73%	0.731	S	S	*	*			trans	70.3	135.5	164.8	-48.4	-59.9	0	0	0	116.5
118	K	36	Very low	33.9	Very low	148 Å²	148	136.9 Å²	136.9	64%	0.643	73%	0.731	S	S	*	*			cis	-158.8	-176.5	1.6	-125.3	172	-175.4	-99.9	0	107	E120	K118-E120 WeakPolarHBondContact CE-OE2 3.09Å; K118-E120 WeakPolarHBondContact CG-OE2 3.48Å; K118-E120 IonicContact NZ-OE1 2.62Å; K118-E120 PolarHBondContact NZ-OE1 3.38Å; K118-E120 IonicContact NZ-OE2 3.49Å; K118-E120 PolarHBondContact NZ-OE2 3.19Å
119	S	34	Very low	33.9	Very low	99 Å²	99	132.6 Å²	132.6	69%	0.692	72%	0.72	S	S	*	*			cis	-174.8	152.5	7.4	38	0	0	0	0	107.1
120	E	35.6	Very low	34	Very low	130 Å²	130	132.6 Å²	132.6	61%	0.607	72%	0.72	S	S	*	*			cis	-176.9	167	-17.9	-114.1	151.3	137.2	0	0	108.8	K118	K118-E120 WeakPolarHBondContact CE-OE2 3.09Å; K118-E120 WeakPolarHBondContact CG-OE2 3.48Å; K118-E120 IonicContact NZ-OE1 2.62Å; K118-E120 PolarHBondContact NZ-OE1 3.38Å; K118-E120 IonicContact NZ-OE2 3.49Å; K118-E120 PolarHBondContact NZ-OE2 3.19Å
121	V	36.1	Very low	34.2	Very low	132 Å²	132	132.3 Å²	132.3	80%	0.8	72%	0.717	S	S	*	*			trans	70.6	129.3	156.8	167.4	0	0	0	0	119.2
122	I	35.1	Very low	34.2	Very low	147 Å²	147	130.7 Å²	130.7	75%	0.754	71%	0.708	S	S	*	*			cis	-158.4	156	-21	-121.1	166.1	0	0	0	109.3
123	P	40.8	Very low	33.9	Very low	110 Å²	110	131.4 Å²	131.4	71%	0.714	71%	0.711	S	S	*	*			trans	-113	-167.2	-174.9	43.4	-33.9	0	0	0	114.1
124	M	33.9	Very low	34	Very low	164 Å²	164	129.7 Å²	129.7	81%	0.808	71%	0.708	S	S	*	*			trans	148.4	141.7	154.7	-85	-160.8	150.7	0	0	109.3
125	N	36.3	Very low	33.8	Very low	116 Å²	116	131 Å²	131	62%	0.62	71%	0.711	S	S	*	*			cis	-148.3	144.5	-2.3	-90.9	-20.3	0	0	0	107.6
126	T	33.4	Very low	33.7	Very low	106 Å²	106	128.9 Å²	128.9	65%	0.65	70%	0.703	S	S	*	*				47.1	138.2	85.6	37.7	0	0	0	0	115.2
127	D	34.4	Very low	33.7	Very low	132 Å²	132	133.2 Å²	133.2	71%	0.706	71%	0.714	S	S	*	*			cis	-145.9	148	21.5	-98.9	-41.2	0	0	0	111.3
128	V	31.4	Very low	33.6	Very low	123 Å²	123	131.9 Å²	131.9	75%	0.745	71%	0.712	S	S	*	*				59.6	130.9	83.7	176.3	0	0	0	0	113.9
129	S	31.8	Very low	33.3	Very low	85 Å²	85	133.3 Å²	133.3	59%	0.594	72%	0.718	S	S	*	*			cis	-169.5	171.6	-19.3	60.2	0	0	0	0	109.9
130	T	31.3	Very low	33.3	Very low	127 Å²	127	137.7 Å²	137.7	78%	0.779	73%	0.725	S	S	*	*			trans	62.9	158.1	158.4	40.6	0	0	0	0	117.1
131	E	33	Very low	33.1	Very low	171 Å²	171	137.7 Å²	137.7	80%	0.799	73%	0.729	S	S	*	*			cis	-140.2	-153.9	8.3	-146.1	173.8	-179.5	0	0	112.5
132	N	30.5	Very low	33.1	Very low	131 Å²	131	140.3 Å²	140.3	70%	0.701	73%	0.73	S	S	*	*			trans	-93.9	179.2	-157.8	-72.5	-59.1	0	0	0	116.8
133	T	32.3	Very low	33	Very low	118 Å²	118	138.6 Å²	138.6	72%	0.724	73%	0.727	S	S	*	*			trans	86	133.4	146.8	24.8	0	0	0	0	120.1
134	D	33.7	Very low	32.7	Very low	146 Å²	146	141.2 Å²	141.2	78%	0.781	73%	0.729	S	S	*	*			trans	59.6	143.5	148.5	-54	-15.4	0	0	0	120
135	E	30.2	Very low	32.9	Very low	168 Å²	168	139.1 Å²	139.1	79%	0.785	72%	0.718	S	S	*	*			cis	-166.2	178	-28.9	-146.6	-165.1	-169.2	0	0	105.8
136	V	31.8	Very low	32.8	Very low	92 Å²	92	140.4 Å²	140.4	56%	0.558	72%	0.721	S	S	*	*			trans	62.5	101.4	148.3	172.5	0	0	0	0	119.5
137	K	30.5	Very low	32.8	Very low	175 Å²	175	140.2 Å²	140.2	76%	0.761	72%	0.72	S	S	*	*				90.3	140.5	128.9	-82.5	177.8	-160.8	154.6	0	124.2
138	M	32.8	Very low	32.9	Very low	150 Å²	150	137.9 Å²	137.9	74%	0.739	71%	0.714	S	S	*	*			trans	70.3	107.5	152.9	-61.4	-71.2	177	0	0	117.7
139	K	31.7	Very low	33.1	Very low	177 Å²	177	138.8 Å²	138.8	77%	0.77	71%	0.71	S	S	*	*				75.9	98.2	69.6	-77.9	-160.5	175.5	-169	0	115.9
140	K	33.3	Very low	33.2	Very low	192 Å²	192	141.7 Å²	141.7	84%	0.835	71%	0.714	S	S	*	*				176.5	130	123.7	-95.1	169	176.7	178	0	107.8
141	D	31.8	Very low	33.5	Very low	129 Å²	129	141.2 Å²	141.2	69%	0.69	71%	0.706	S	S	*	*			cis	71.3	95.1	49.2	-57.8	-42.1	0	0	0	114.3
142	K	35.8	Very low	33.5	Very low	187 Å²	187	140.5 Å²	140.5	81%	0.813	70%	0.703	S	S	*	*				176.1	109.5	126.4	-93.7	-171.8	167.4	-169.2	0	108.5
143	T	32.1	Very low	33.6	Very low	112 Å²	112	141 Å²	141	69%	0.687	70%	0.701	S	S	*	*				59.8	124.9	67.9	72.1	0	0	0	0	114.8
144	H	35	Very low	33.6	Very low	165 Å²	165	141.7 Å²	141.7	76%	0.764	70%	0.7	S	S	*	*			trans	152.5	139.1	161.4	-98.8	-126.7	0	0	0	105.8
145	M	37.3	Very low	33.3	Very low	119 Å²	119	139.2 Å²	139.2	59%	0.586	70%	0.695	S	S	*	*			cis	-142.2	158.3	-4.9	-88.8	-50.7	-113	0	0	106.8
146	E	34.3	Very low	33.4	Very low	143 Å²	143	139 Å²	139	67%	0.668	70%	0.698	S	S	*	*				57.6	137.6	73.9	-117.8	-161.1	-112.6	0	0	112.4
147	T	34.2	Very low	33.3	Very low	102 Å²	102	143.6 Å²	143.6	63%	0.626	71%	0.71	S	S	*	*			cis	-157	173.6	15	-29.4	0	0	0	0	110.4
148	S	35.5	Very low	33.4	Very low	84 Å²	84	141.9 Å²	141.9	59%	0.587	71%	0.709	S	S	*	*			trans	78	144.5	147.6	-69.5	0	0	0	0	121.8
149	E	37.3	Very low	33.2	Very low	142 Å²	142	141.2 Å²	141.2	66%	0.664	71%	0.709	S	S	*	*			cis	-170.8	154.4	-16.6	-115.7	171.8	128.3	0	0	111.1
150	Q	33.7	Very low	33.1	Very low	146 Å²	146	140.9 Å²	140.9	68%	0.682	71%	0.71	S	S	*	*			trans	66	153.9	142.7	-69.3	-172.4	34.3	0	0	120
151	L	36	Very low	33.1	Very low	116 Å²	116	138.7 Å²	138.7	61%	0.607	71%	0.708	S	S	*	*			cis	-160.7	146.9	-4	-110.7	170.9	0	0	0	109.8
152	Q	34.7	Very low	33.3	Very low	156 Å²	156	139.9 Å²	139.9	73%	0.729	71%	0.712	S	S	*	*			trans	55.4	165.1	142.1	-76.6	177	-6.5	0	0	122.5
153	Q	31	Very low	33.1	Very low	141 Å²	141	138.5 Å²	138.5	66%	0.659	71%	0.706	S	S	*	*			cis	-173	166.9	-41	-137.1	171.8	-0.2	0	0	109.2
154	N	33.3	Very low	33.2	Very low	133 Å²	133	139.5 Å²	139.5	71%	0.711	71%	0.712	S	S	*	*			trans	68.1	139.1	162	-51.6	-25.5	0	0	0	116.3
155	S	28.1	Very low	33.1	Very low	95 Å²	95	137.3 Å²	137.3	66%	0.664	70%	0.702	S	S	*	*			cis	120.8	120.6	3.5	71.6	0	0	0	0	112.6
156	L	30.6	Very low	32.7	Very low	164 Å²	164	138.1 Å²	138.1	86%	0.859	71%	0.714	S	S	*	*			trans	53.8	107.1	158.8	-75.8	137.3	0	0	0	119.6
157	K	30.6	Very low	32.6	Very low	187 Å²	187	139.4 Å²	139.4	81%	0.813	72%	0.72	S	S	*	*				167.6	153.2	116.6	-97.4	174.5	178.9	177.9	0	115.8
158	N	32.8	Very low	32.3	Very low	139 Å²	139	142.3 Å²	142.3	74%	0.743	73%	0.731	S	S	*	*			trans	65.1	133.6	156.7	-59.3	5.7	0	0	0	116.8
159	N	28	Very low	32	Very low	136 Å²	136	143.1 Å²	143.1	73%	0.727	74%	0.736	S	S	*	*				74.1	120.1	55.9	-82.8	32.5	0	0	0	114.5
160	E	30.6	Very low	31.5	Very low	171 Å²	171	145.8 Å²	145.8	80%	0.799	75%	0.746	S	S	*	*			trans	61.7	137.7	161.8	-60.6	160	155.6	0	0	115.6
161	D	33.4	Very low	31.3	Very low	146 Å²	146	145.7 Å²	145.7	78%	0.781	76%	0.756	S	S	*	*			cis	-140.9	179.4	-12.5	-88	-37.2	0	0	0	105.9
162	I	35.8	Very low	30.9	Very low	153 Å²	153	149 Å²	149	79%	0.785	77%	0.765	S	S	*	*				-175.2	115.3	60.7	-71.5	174.1	0	0	0	103.7
163	K	31.3	Very low	30.8	Very low	158 Å²	158	149.4 Å²	149.4	69%	0.687	77%	0.772	S	S	*	*				74.5	97.1	74.6	-165.5	-175.7	-165	-90.2	0	115.5	E165	K163-E165 IonicContact NZ-OE1 3.76Å; K163-E165 PolarHBondContact NZ-OE1 2.9Å
164	T	34.3	Very low	30.7	Very low	133 Å²	133	147.7 Å²	147.7	82%	0.816	78%	0.776	S	S	*	*			trans	-144.3	122.4	144.9	-21.8	0	0	0	0	110.6
165	E	32.5	Very low	30.8	Very low	119 Å²	119	146.4 Å²	146.4	56%	0.556	78%	0.775	S	S	*	*			trans	-40.8	150.5	174.2	-74.9	95.1	-157.9	0	0	115.2	K163	K163-E165 IonicContact NZ-OE1 3.76Å; K163-E165 PolarHBondContact NZ-OE1 2.9Å
166	V	29.1	Very low	30.8	Very low	136 Å²	136	148 Å²	148	82%	0.824	78%	0.776	S	S	*	*			cis	53.8	89.4	19	-171.2	0	0	0	0	114.9
167	E	31.6	Very low	30.7	Very low	170 Å²	170	147.3 Å²	147.3	79%	0.794	77%	0.771	S	S	*	*			trans	-135.3	125.6	157	-147.3	178.4	-137.3	0	0	112.7
168	L	27.6	Very low	30.9	Very low	163 Å²	163	143.1 Å²	143.1	85%	0.853	77%	0.766	S	S	*	*			trans	-103.4	119.6	166.8	-86.2	160.2	0	0	0	107.3
169	S	30.1	Very low	30.7	Very low	101 Å²	101	142 Å²	142	71%	0.706	77%	0.765	S	S	*	*			trans	-128.2	65.7	-179.1	46.4	0	0	0	0	113.4	T171	S169-T171 PolarHBondContact O-N 3.18Å
170	F	27.3	Very low	31	Very low	198 Å²	198	145.9 Å²	145.9	87%	0.868	77%	0.769	S	S	*	*			trans	-68.1	113.2	149.5	-95.2	-93.5	0	0	0	108.5
171	T	28	Very low	31.2	Very low	144 Å²	144	143 Å²	143	88%	0.883	76%	0.759	S	S	*	*				-174.7	161.5	128.9	19.7	0	0	0	0	114	S169	S169-T171 PolarHBondContact O-N 3.18Å
172	K	28.5	Very low	31.2	Very low	186 Å²	186	142.9 Å²	142.9	81%	0.809	76%	0.758	S	S	*	*			trans	-67.7	150.3	-178.1	-53.3	158.8	-178.1	173.7	0	111.9
173	N	32.4	Very low	31.2	Very low	164 Å²	164	140.4 Å²	140.4	88%	0.877	75%	0.754	S	S	*	*				-172.9	153.9	110.3	-88	-22.3	0	0	0	112.3
174	S	29.1	Very low	31.5	Very low	106 Å²	106	137.2 Å²	137.2	74%	0.741	75%	0.752	S	S	*	*			trans	-93	162.5	167	-152.5	0	0	0	0	108.9
175	P	34.6	Very low	31.4	Very low	106 Å²	106	137.7 Å²	137.7	69%	0.688	75%	0.748	S	S	*	*				-151.4	161.6	80.8	40.6	-21.9	0	0	0	117.9
176	D	28.9	Very low	31.6	Very low	127 Å²	127	138.5 Å²	138.5	68%	0.679	76%	0.757	S	S	*	*			trans	54.4	120.3	136.4	-62.5	-23.1	0	0	0	125.3
177	I	29.1	Very low	31.7	Very low	150 Å²	150	140.3 Å²	140.3	77%	0.769	76%	0.756	S	S	*	*				51	113.4	118.6	-52.6	162.7	0	0	0	116.3
178	S	33.4	Very low	31.8	Very low	100 Å²	100	137.2 Å²	137.2	70%	0.699	75%	0.753	S	S	*	*				-169.9	160.3	82	57.2	0	0	0	0	116
179	T	29.8	Very low	32	Very low	116 Å²	116	136.8 Å²	136.8	71%	0.712	75%	0.752	S	S	*	*			trans	-10.4	150	153	50.1	0	0	0	0	118.6
180	R	33.2	Very low	32	Very low	216 Å²	216	139.9 Å²	139.9	82%	0.815	76%	0.755	S	S	*	*			cis	-168.6	174.6	22.8	-118.9	169.1	170.8	157.5	-3.7	106.8
181	N	34.5	Very low	32.2	Very low	112 Å²	112	138.4 Å²	138.4	60%	0.599	76%	0.756	S	S	*	*			cis	-163	148.9	17.3	-130.7	-12.6	0	0	0	109.5
182	N	34.2	Very low	32.2	Very low	143 Å²	143	141.7 Å²	141.7	77%	0.765	75%	0.754	S	S	*	*			trans	24.5	146	137.3	-59.8	2.1	0	0	0	121.8
183	S	36	Very low	32.2	Very low	100 Å²	100	140.1 Å²	140.1	70%	0.699	75%	0.752	S	S	*	*			cis	-160.9	-178.6	1.9	53.6	0	0	0	0	109.1
184	S	37.5	Very low	32	Very low	92 Å²	92	137.1 Å²	137.1	64%	0.643	74%	0.74	S	S	*	*			cis	-160.7	139.8	20	-15.8	0	0	0	0	108.8
185	I	33	Very low	31.9	Very low	143 Å²	143	135.5 Å²	135.5	73%	0.733	73%	0.733	S	S	*	*				65.1	121.2	83.6	-64.4	168.7	0	0	0	111.8
186	N	35.4	Very low	31.7	Very low	136 Å²	136	134.3 Å²	134.3	73%	0.727	72%	0.719	S	S	*	*			cis	-135.1	162	6.8	-82.3	-39.2	0	0	0	110.4
187	Q	30.7	Very low	31.6	Very low	174 Å²	174	134.2 Å²	134.2	81%	0.813	71%	0.714	S	S	*	*			cis	88.6	143.1	30.7	-92.2	-163.6	2	0	0	118.2
188	S	34.4	Very low	31.6	Very low	105 Å²	105	132.4 Å²	132.4	73%	0.734	70%	0.702	S	S	*	*			trans	78.1	141.4	169.6	78.4	0	0	0	0	118.8
189	N	31.6	Very low	31.5	Very low	154 Å²	154	132.5 Å²	132.5	82%	0.824	70%	0.703	S	S	*	*			cis	-154.7	169.4	-14.7	-117.2	10.6	0	0	0	112.9
190	E	29.9	Very low	31.5	Very low	166 Å²	166	133.2 Å²	133.2	78%	0.776	71%	0.707	S	S	*	*			trans	-74.9	160.4	-179.5	-55.1	158.2	132.2	0	0	113.5
191	N	32.5	Very low	31.5	Very low	167 Å²	167	128 Å²	128	89%	0.893	70%	0.698	S	S	*	*				-167.1	159	119.6	-102.8	-53.4	0	0	0	114
192	Y	27.1	Very low	31.3	Very low	213 Å²	213	129 Å²	129	84%	0.835	70%	0.704	S	S	*	*			trans	-103.6	-170.3	-176.7	-108	-101.1	0	0	0	112
193	I	29.3	Very low	31.4	Very low	152 Å²	152	127.7 Å²	127.7	78%	0.779	70%	0.697	S	S	*	*			trans	89.7	102	166.4	-50.7	178.5	0	0	0	112.7
194	T	27.8	Very low	31.4	Very low	101 Å²	101	128.2 Å²	128.2	62%	0.62	69%	0.692	S	S	*	*				84.6	146.8	62	-51.7	0	0	0	0	113.1	E573	T194-E573 WeakPolarHBondContact CG2-OE2 3.49Å
195	A	27.4	Very low	31.5	Very low	72 Å²	72	130.7 Å²	130.7	60%	0.595	69%	0.691	S	S	*	*			trans	75.5	114.2	163.7	0	0	0	0	0	121.4	E573	A195-E573 WeakPolarHBondContact CA-OE2 3.35Å; A195-E573 WeakPolarHBondContact CB-OE2 3.31Å
196	H	29.3	Very low	32	Very low	82 Å²	82	130 Å²	130	38%	0.38	69%	0.689	S	S	.	*				77.4	105.2	120.4	-90.6	-70.7	0	0	0	126.8	S571 P572 E573	H196-S571 VanDerWaalsContact CB-OG 3.22Å; H196-S571 WeakPolarHBondContact CB-OG 3.2Å; H196-S571 VanDerWaalsContact CG-OG 3.29Å; H196-S571 PolarHBondContact ND1-OG 2.91Å; H196-P572 VanDerWaalsContact CE1-CB 3.43Å; H196-P572 WeakPolarHBondContact CE1-CB 3.45Å; H196-P572 WeakPolarHBondContact CE1-CD 3.37Å; H196-P572 WeakPolarHBondContact ND1-CD 3.47Å; H196-E573 PolarHBondContact NE2-N 3.27Å; H196-E573 VanDerWaalsContact NE2-N 3.19Å
197	E	28.2	Very low	32.2	Very low	124 Å²	124	129.9 Å²	129.9	58%	0.579	69%	0.688	S	S	*	*				49.1	168.2	127.4	-125.8	176.4	-107.9	0	0	124.5	S571 P572	E197-S571 WeakPolarHBondContact CB-OG 3.34Å; E197-P572 WeakPolarHBondContact OE1-CD 3.47Å; E197-P572 WeakPolarHBondContact OE2-CD 3.43Å
198	E	29.3	Very low	32.7	Very low	112 Å²	112	126.4 Å²	126.4	52%	0.523	68%	0.675	S	S	.	*			trans	57.7	78.2	163.9	-61.6	-152.7	109.7	0	0	121.2	V570	E198-V570 PolarHBondContact OE2-N 3.36Å
199	S	29.9	Very low	32.9	Very low	102 Å²	102	128.8 Å²	128.8	71%	0.713	67%	0.673	S	S	*	*				80.5	164.6	117.7	82.5	0	0	0	0	121.5
200	V	31.2	Very low	33.3	Very low	131 Å²	131	129.1 Å²	129.1	79%	0.794	67%	0.674	S	S	*	*			trans	68.6	135.4	162.1	171.1	0	0	0	0	117.4
201	V	31.6	Very low	33.5	Very low	106 Å²	106	126.5 Å²	126.5	64%	0.642	67%	0.674	S	S	*	*			cis	-165.8	150.1	-30.1	82.2	0	0	0	0	107.8
202	N	32.3	Very low	33.8	Very low	135 Å²	135	123.7 Å²	123.7	72%	0.722	67%	0.665	S	S	*	*			trans	63.8	160.5	165.8	-66.8	-2	0	0	0	116.3
203	N	34.6	Very low	34.3	Very low	115 Å²	115	123 Å²	123	62%	0.615	67%	0.667	S	S	*	*			cis	-153.1	160.3	-2	-128.7	24.3	0	0	0	110.4
204	D	37.6	Very low	34.5	Very low	110 Å²	110	124.1 Å²	124.1	59%	0.588	67%	0.668	S	S	*	*			trans	66.6	144.6	151.2	-64	-14.7	0	0	0	119.4
205	K	39.4	Very low	35.5	Very low	145 Å²	145	125.3 Å²	125.3	63%	0.63	68%	0.677	S	S	*	*			cis	-163.5	153.3	-8.7	-116.5	174.8	-177.2	73.7	0	110.3
206	D	42.9	Very low	35.9	Very low	128 Å²	128	130.6 Å²	130.6	68%	0.684	69%	0.689	S	S	*	*			trans	58.2	147.2	149.1	-46	-23.9	0	0	0	119.1
207	D	39.7	Very low	36.1	Very low	134 Å²	134	137.8 Å²	137.8	72%	0.717	71%	0.713	S	S	*	*			cis	-152.7	150.5	7.1	-136.9	-18.8	0	0	0	115.2
208	D	40	Very low	36.7	Very low	101 Å²	101	137.3 Å²	137.3	54%	0.54	72%	0.721	S	S	.	*			trans	58.4	128.1	145.6	-92.1	-29.9	0	0	0	128.5
209	K	39.6	Very low	37.1	Very low	155 Å²	155	137.5 Å²	137.5	67%	0.674	73%	0.732	S	S	*	*			trans	60.6	108.5	134.9	-69.7	158.1	-173.3	138.7	0	120.4
210	N	39	Very low	37.6	Very low	160 Å²	160	138.3 Å²	138.3	86%	0.856	74%	0.735	S	S	*	*				-174	153	53.7	-88.6	-43.8	0	0	0	112.3
211	S	34.1	Very low	37.9	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	74%	0.737	S	S	*	*			trans	-159.7	143.4	175.3	-176	0	0	0	0	113.3
212	P	39.9	Very low	37.9	Very low	108 Å²	108	143 Å²	143	70%	0.701	75%	0.749	S	S	*	*				-147.2	163.9	125.9	33.2	-16.1	0	0	0	114
213	K	36.9	Very low	38.1	Very low	198 Å²	198	145.2 Å²	145.2	86%	0.861	76%	0.76	S	S	*	*			cis	-164.7	143.2	-11	-105.7	162.4	-169.1	169.5	0	108.7
214	H	33.5	Very low	37.9	Very low	176 Å²	176	144.3 Å²	144.3	82%	0.815	76%	0.763	S	S	*	*			trans	-113.6	144.5	157.3	-95.8	-70.7	0	0	0	109.7
215	P	49.4	Very low	37.6	Very low	125 Å²	125	147.3 Å²	147.3	81%	0.812	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-83.2	121.6	177.2	31.6	-32.3	0	0	0	112.2
216	H	35.7	Very low	37.3	Very low	183 Å²	183	146.5 Å²	146.5	85%	0.847	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-87.2	153.5	176.4	-96.3	-98	0	0	0	113.6
217	R	33.1	Very low	36.6	Very low	233 Å²	233	148.6 Å²	148.6	88%	0.879	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-77.6	136.7	172.2	-169.2	-178	-169.9	-174.8	4.7	110.8
218	P	40.4	Very low	36.4	Very low	114 Å²	114	150.4 Å²	150.4	74%	0.74	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-79.2	151.3	-174.8	30.9	-36	0	0	0	114.1
219	P	39	Very low	35.8	Very low	117 Å²	117	150.8 Å²	150.8	76%	0.76	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-88.4	160.6	174.6	36	-35.4	0	0	0	113.4
220	P	38.9	Very low	35.4	Very low	118 Å²	118	149.2 Å²	149.2	77%	0.766	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-80.4	153.6	178.7	32.7	-35.4	0	0	0	113.9
221	P	38.1	Very low	35	Very low	130 Å²	130	145.6 Å²	145.6	84%	0.844	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-82.7	158.2	-174.6	33.4	-36.6	0	0	0	114.5
222	K	32	Very low	34.8	Very low	207 Å²	207	145.7 Å²	145.7	90%	0.9	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-98.2	144.6	173	-66	179.5	179.1	177	0	111.5
223	L	35.8	Very low	34.4	Very low	181 Å²	181	148.8 Å²	148.8	95%	0.948	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-95.3	166.2	166.4	-128.1	77	0	0	0	111.2
224	S	31.7	Very low	34	Very low	96 Å²	96	143.8 Å²	143.8	67%	0.671	80%	0.803	S	S	*	*			trans	-146.4	158.3	-173.7	63.7	0	0	0	0	114.5
225	Q	30.7	Very low	34	Very low	172 Å²	172	146 Å²	146	80%	0.804	81%	0.805	S	S	*	*			trans	69.8	157.2	172.3	-44.3	-169.5	20.5	0	0	114.8
226	T	31.9	Very low	33.1	Very low	128 Å²	128	144.9 Å²	144.9	79%	0.785	80%	0.801	S	S	*	*			cis	-141.1	-161.1	13.7	-30.8	0	0	0	0	112.2
227	K	29.5	Very low	32.9	Very low	173 Å²	173	140.2 Å²	140.2	75%	0.752	80%	0.802	S	S	*	*			trans	-96.9	169.9	-160.4	-60.4	172.6	-179.1	174.2	0	115.6
228	H	35.4	Very low	32.7	Very low	172 Å²	172	132.6 Å²	132.6	80%	0.796	80%	0.797	S	S	*	*			trans	125.8	152.3	140	-67.8	-71.1	0	0	0	115.9
229	T	27.4	Very low	32.3	Very low	108 Å²	108	135.4 Å²	135.4	66%	0.663	80%	0.8	S	S	*	*			cis	-169.7	146.9	-46.6	-78.5	0	0	0	0	106.9
230	S	31.5	Very low	31.9	Very low	123 Å²	123	135.8 Å²	135.8	86%	0.86	80%	0.795	S	S	*	*			trans	64.3	149.1	162.9	58.2	0	0	0	0	120.6
231	G	31.1	Very low	31.7	Very low	84 Å²	84	137.3 Å²	137.3	87%	0.866	80%	0.797	S	S	*	*			trans	140.4	79	169.7	0	0	0	0	0	114.6
232	S	28.7	Very low	31.4	Very low	114 Å²	114	139.2 Å²	139.2	80%	0.797	80%	0.795	S	S	*	*			trans	-118.9	142.4	177.1	57.3	0	0	0	0	111.9
233	L	32	Very low	31.3	Very low	172 Å²	172	135.9 Å²	135.9	90%	0.901	79%	0.786	S	S	*	*			trans	-166.7	157.7	141.2	-107.6	163.2	0	0	0	110.9
234	S	28.8	Very low	31	Very low	94 Å²	94	133.3 Å²	133.3	66%	0.657	78%	0.778	S	S	*	*			trans	-119	165.5	-174.3	48.8	0	0	0	0	111.4
235	Y	32	Very low	30.9	Very low	221 Å²	221	133.4 Å²	133.4	87%	0.867	78%	0.779	S	S	*	*				-167.9	-175.4	127.2	-118.4	-91.1	0	0	0	110.6
236	S	31.8	Very low	31	Very low	102 Å²	102	134.9 Å²	134.9	71%	0.713	78%	0.782	S	S	*	*			trans	-145.2	159.5	-143.1	55.9	0	0	0	0	117
237	G	30.5	Very low	30.9	Very low	85 Å²	85	136 Å²	136	88%	0.876	78%	0.784	S	S	*	*			trans	93.6	152.8	161.7	0	0	0	0	0	115.6
238	G	30.2	Very low	31.2	Very low	74 Å²	74	134.6 Å²	134.6	76%	0.763	78%	0.784	S	S	*	*			cis	-177.9	143.2	-7.3	0	0	0	0	0	113.9
239	E	31.2	Very low	31.1	Very low	172 Å²	172	132.7 Å²	132.7	80%	0.804	78%	0.78	S	S	*	*			trans	49.7	119.4	140.3	-69	-173.5	170.3	0	0	124.4
240	N	31	Very low	31.5	Very low	125 Å²	125	132 Å²	132	67%	0.668	78%	0.78	S	S	*	*				86.9	161	122.7	-59.3	-9.3	0	0	0	123.5
241	D	33.8	Very low	31.5	Very low	151 Å²	151	134.3 Å²	134.3	81%	0.807	78%	0.777	S	S	*	*			trans	69.3	147.8	162.8	-56.5	-17.1	0	0	0	120.1
242	E	32	Very low	31.5	Very low	170 Å²	170	136.2 Å²	136.2	79%	0.794	77%	0.766	S	S	*	*			cis	-155.3	-172.7	-34.1	-146.3	-164	157.2	0	0	109.4
243	L	30.3	Very low	31.7	Very low	136 Å²	136	136.2 Å²	136.2	71%	0.712	76%	0.757	S	S	*	*			trans	-66	152.6	-179.3	-64.4	134	0	0	0	113.9
244	T	29.1	Very low	31.7	Very low	128 Å²	128	133.6 Å²	133.6	79%	0.785	74%	0.744	S	S	*	*				162.7	137.5	107.7	41.7	0	0	0	0	115.5
245	S	29.5	Very low	31.8	Very low	98 Å²	98	135.2 Å²	135.2	69%	0.685	75%	0.745	S	S	*	*			trans	54	132	144.4	73.2	0	0	0	0	122.2
246	K	34.4	Very low	31.8	Very low	202 Å²	202	130.2 Å²	130.2	88%	0.878	73%	0.734	S	S	*	*				-168.3	157.3	98.2	-101.7	167	-174.1	175.7	0	112.9
247	N	28.5	Very low	31.6	Very low	151 Å²	151	130.4 Å²	130.4	81%	0.807	73%	0.727	S	S	*	*			trans	-132.5	139.2	-176.1	-159.9	28.5	0	0	0	106.8
248	D	35.9	Very low	31.6	Very low	144 Å²	144	135.8 Å²	135.8	77%	0.77	72%	0.722	S	S	*	*			trans	-179	152.3	167.4	-93.8	-32.5	0	0	0	110.2
249	N	32.9	Very low	31.5	Very low	132 Å²	132	139.5 Å²	139.5	71%	0.706	72%	0.72	S	S	*	*			cis	-169.5	174	-36.5	-135.4	-46.5	0	0	0	110.1
250	S	35.7	Very low	31.5	Very low	95 Å²	95	136.4 Å²	136.4	66%	0.664	71%	0.713	S	S	*	*			trans	67.4	166.1	159	82.8	0	0	0	0	118.2
251	Q	32.9	Very low	31.3	Very low	170 Å²	170	138.3 Å²	138.3	79%	0.794	72%	0.722	S	S	*	*			cis	-171.1	161.5	-29.9	-100	-178.3	-91.1	0	0	106.6
252	I	30.4	Very low	31.4	Very low	124 Å²	124	135.9 Å²	135.9	64%	0.636	72%	0.715	S	S	*	*			cis	-172.8	-179.4	-28.3	-157.4	171.4	0	0	0	108.4
253	D	33.2	Very low	31.2	Very low	115 Å²	115	136.9 Å²	136.9	62%	0.615	72%	0.717	S	S	*	*			trans	72.6	112.8	154.6	-80.1	13.5	0	0	0	123.9
254	N	32.2	Very low	31.2	Very low	117 Å²	117	136.4 Å²	136.4	63%	0.626	72%	0.72	S	S	*	*				90.8	104.2	114.2	-70.5	-23.7	0	0	0	124
255	N	30	Very low	31.2	Very low	127 Å²	127	135.2 Å²	135.2	68%	0.679	72%	0.717	S	S	*	*				98	134.3	106.9	-77.1	-15.3	0	0	0	124.1
256	N	31.5	Very low	31.1	Very low	117 Å²	117	137.7 Å²	137.7	63%	0.626	72%	0.722	S	S	*	*			trans	84.6	96	135.5	-67.9	-8.2	0	0	0	122.9
257	N	28.8	Very low	30.9	Very low	105 Å²	105	137.3 Å²	137.3	56%	0.561	72%	0.72	S	S	*	*				79.6	153.2	110.1	-62.4	-10.9	0	0	0	122.8
258	Y	29.9	Very low	30.9	Very low	199 Å²	199	138.3 Å²	138.3	78%	0.78	72%	0.72	S	S	*	*			trans	69.5	142.8	155.1	-57.9	-51	0	0	0	118.2
259	E	28.1	Very low	30.6	Very low	152 Å²	152	139.3 Å²	139.3	71%	0.71	72%	0.72	S	S	*	*			cis	-164.9	176.9	-27.9	-141.2	-175.5	140.3	0	0	110.1
260	T	31	Very low	30.4	Very low	107 Å²	107	140.6 Å²	140.6	66%	0.656	72%	0.722	S	S	*	*			trans	55.1	97.4	153.5	52.5	0	0	0	0	121.5
261	N	27.4	Very low	30	Very low	164 Å²	164	142 Å²	142	88%	0.877	72%	0.722	S	S	*	*				58.8	158.3	114.1	-87.7	-25.7	0	0	0	124
262	P	35.2	Very low	29.9	Very low	101 Å²	101	139.6 Å²	139.6	66%	0.656	71%	0.714	S	S	*	*			trans	-115.9	172.9	-161	43.5	-35.7	0	0	0	115.9
263	K	29.2	Very low	29.8	Very low	190 Å²	190	141.3 Å²	141.3	83%	0.826	72%	0.719	S	S	*	*			trans	-176.9	158.8	144.5	-106.9	155.7	-173	173.8	0	113.7
264	T	29.2	Very low	29.7	Very low	127 Å²	127	144.9 Å²	144.9	78%	0.779	73%	0.732	S	S	*	*			trans	61.4	145.9	154.8	49.2	0	0	0	0	119.2
265	S	30	Very low	29.5	Very low	102 Å²	102	149.2 Å²	149.2	71%	0.713	75%	0.746	S	S	*	*			cis	-158.3	128	-8.1	-97.1	0	0	0	0	112.9
266	L	27.3	Very low	29.5	Very low	151 Å²	151	147.7 Å²	147.7	79%	0.791	74%	0.743	S	S	*	*				30.1	110.3	121	-149.8	86	0	0	0	120
267	K	29.7	Very low	29.3	Very low	194 Å²	194	150.9 Å²	150.9	84%	0.843	75%	0.754	S	S	*	*				171.3	155.7	108	-93.7	-168.2	176.2	-176.4	0	115.4
268	Q	28.8	Very low	29.5	Very low	172 Å²	172	155.9 Å²	155.9	80%	0.804	77%	0.766	S	S	*	*			trans	-81.8	-175.4	170.5	-64.9	161.8	-35.9	0	0	109.5
269	Q	28.8	Very low	29.7	Very low	164 Å²	164	155.4 Å²	155.4	77%	0.766	77%	0.768	S	S	*	*			cis	-169.7	-172.8	41.4	-151.4	164.1	8.9	0	0	113.7
270	Q	29	Very low	30	Very low	160 Å²	160	159.6 Å²	159.6	75%	0.748	78%	0.778	S	S	*	*			trans	-74.6	-174.3	-177.3	-61.5	146.8	-73	0	0	111.7
271	N	28.2	Very low	30.2	Very low	125 Å²	125	158.7 Å²	158.7	67%	0.668	77%	0.773	S	S	*	*			cis	-167.4	176.8	28.6	-155.6	26	0	0	0	115.3
272	D	29.1	Very low	30.8	Very low	118 Å²	118	154.9 Å²	154.9	63%	0.631	76%	0.76	S	S	*	*			trans	108.8	138.5	134.7	-97.1	-49.4	0	0	0	124.8
273	Q	29	Very low	30.7	Very low	161 Å²	161	157.5 Å²	157.5	75%	0.752	77%	0.765	S	S	*	*			trans	56.1	107.8	156.8	-61.4	179.4	42.1	0	0	122.4
274	Q	31.6	Very low	31.3	Very low	190 Å²	190	157.6 Å²	157.6	89%	0.888	77%	0.766	S	S	*	*				-171.4	157.9	94.6	-95	-178.2	19	0	0	112.4
275	K	27.2	Very low	32	Very low	207 Å²	207	154 Å²	154	90%	0.9	75%	0.746	S	S	*	*			trans	-97.9	139.4	-173	-67.6	177	179.4	173.1	0	113.6
276	P	30.5	Very low	32.6	Very low	95 Å²	95	153.7 Å²	153.7	62%	0.617	74%	0.736	S	S	*	*			trans	-103.7	127.5	150.4	-2.8	23	0	0	0	111.7	Y278	P276-Y278 HydrophobicContact CB-CD2 4.3Å; P276-Y278 HydrophobicContact CB-CE2 3.82Å; P276-Y278 HydrophobicContact CG-CE2 4.39Å; P276-Y278 PolarHBondContact O-N 3.4Å
277	Q	28.1	Very low	33.6	Very low	185 Å²	185	150.6 Å²	150.6	86%	0.864	72%	0.719	S	S	*	*			trans	-90.3	91.6	-177.4	-172.5	-173.1	25.3	0	0	111.7	K279	Q277-K279 PolarHBondContact O-N 3.12Å
278	Y	32.7	Very low	34.4	Very low	210 Å²	210	148.8 Å²	148.8	82%	0.824	71%	0.711	S	S	*	*			trans	-79.7	107	178.9	-75.6	-80.1	0	0	0	112.8	P276	P276-Y278 HydrophobicContact CB-CD2 4.3Å; P276-Y278 HydrophobicContact CB-CE2 3.82Å; P276-Y278 HydrophobicContact CG-CE2 4.39Å; P276-Y278 PolarHBondContact O-N 3.4Å
279	K	34.8	Very low	35.2	Very low	188 Å²	188	145.5 Å²	145.5	82%	0.817	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-62.7	131	168.2	-70.1	-178.5	176.2	179.7	0	110.3	Q277	Q277-K279 PolarHBondContact O-N 3.12Å
280	R	33.6	Very low	35.9	Very low	241 Å²	241	141.7 Å²	141.7	91%	0.909	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-63.4	130.9	170.4	-80.4	-176.7	170.9	-179.5	-3.1	110.2
281	P	34.1	Very low	36.7	Very low	87 Å²	87	137.6 Å²	137.6	57%	0.565	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-63.9	142.2	165.6	-19	32.1	0	0	0	110.8
282	S	40.4	Very low	37.8	Very low	85 Å²	85	134.2 Å²	134.2	59%	0.594	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-74.8	146.6	176.7	63.8	0	0	0	0	111.3	K284 S285	S282-K284 PolarHBondContact O-N 3.28Å; S282-S285 PolarHBondContact O-N 3.18Å; S282-S285 PolarHBondContact O-OG 3.48Å
283	M	34.5	Very low	38.6	Very low	155 Å²	155	132.4 Å²	132.4	76%	0.764	64%	0.638	S	S	*	*	H	α-helix	trans	-55.7	-32.3	-172.4	-71.7	-176.8	71.1	0	0	114.2	S285 N286 I287	M283-S285 PolarHBondContact O-N 2.92Å; M283-N286 PolarHBondContact O-N 3.06Å; M283-I287 PolarHBondContact O-N 2.85Å
284	K	41.8	Very low	39.2	Very low	193 Å²	193	128.3 Å²	128.3	84%	0.839	62%	0.62	S	S	*	*	H	α-helix	trans	-58.8	-25.3	176.3	-68	-172.6	177.3	-177.5	0	113.1	S282	S282-K284 PolarHBondContact O-N 3.28Å
285	S	42.2	Very low	39.8	Very low	52 Å²	52	126.5 Å²	126.5	36%	0.364	61%	0.605	S	S	.	*	H	α-helix	trans	-78.8	-45.1	174.5	71.6	0	0	0	0	112.6	S282 M283 K288 H289	S282-S285 PolarHBondContact O-N 3.18Å; S282-S285 PolarHBondContact O-OG 3.48Å; M283-S285 PolarHBondContact O-N 2.92Å; S285-K288 PolarHBondContact O-N 2.65Å; S285-H289 WeakPolarHBondContact O-CB 3.19Å; S285-H289 PolarHBondContact O-N 3.5Å
286	N	43.1	Very low	40.7	Very low	94 Å²	94	122.6 Å²	122.6	50%	0.503	59%	0.589	S	S	.	*	H	α-helix	trans	-65.4	-47.1	-171.5	-91.1	-4.5	0	0	0	113	M283 K288 H289 V290	M283-N286 PolarHBondContact O-N 3.06Å; N286-K288 VanDerWaalsContact C-N 3.35Å; N286-K288 PolarHBondContact O-N 2.91Å; N286-H289 CarbonylContact O-C 3.33Å; N286-H289 PolarHBondContact O-N 3.13Å; N286-H289 VanDerWaalsContact O-N 3.1Å; N286-V290 WeakPolarHBondContact O-CG2 3.41Å; N286-V290 PolarHBondContact O-N 2.84Å
287	I	47.6	Very low	41.3	Very low	86 Å²	86	121.1 Å²	121.1	44%	0.441	58%	0.58	S	S	.	*	H	α-helix	trans	-58.6	-49.4	179.2	-63.7	173.8	0	0	0	110	M283 H289 V290 F291	M283-I287 PolarHBondContact O-N 2.85Å; I287-H289 VanDerWaalsContact C-N 3.28Å; I287-H289 PolarHBondContact O-N 3.39Å; I287-V290 PolarHBondContact O-N 3.1Å; I287-F291 HydrophobicContact CG2-CD2 3.79Å; I287-F291 HydrophobicContact CG2-CE2 3.8Å; I287-F291 WeakPolarHBondContact O-CD2 3.32Å; I287-F291 PolarHBondContact O-N 2.89Å
288	K	48.2	Very low	41.9	Very low	156 Å²	156	117.7 Å²	117.7	68%	0.678	56%	0.563	S	S	*	*	H	α-helix	trans	-62	-35.1	177.5	-163	168.8	-172.8	171.6	0	112	S285 N286 T292	S285-K288 PolarHBondContact O-N 2.65Å; N286-K288 VanDerWaalsContact C-N 3.35Å; N286-K288 PolarHBondContact O-N 2.91Å; K288-T292 WeakPolarHBondContact O-CB 3.49Å; K288-T292 PolarHBondContact O-N 3.16Å; K288-T292 PolarHBondContact O-OG1 3.46Å
289	H	44.1	Very low	42.6	Very low	103 Å²	103	115.2 Å²	115.2	48%	0.477	56%	0.556	S	S	.	*	H	α-helix	trans	-75.8	-33	178.3	-151.1	-45.5	0	0	0	113.2	S285 N286 I287 N293	S285-H289 WeakPolarHBondContact O-CB 3.19Å; S285-H289 PolarHBondContact O-N 3.5Å; N286-H289 CarbonylContact O-C 3.33Å; N286-H289 PolarHBondContact O-N 3.13Å; N286-H289 VanDerWaalsContact O-N 3.1Å; I287-H289 VanDerWaalsContact C-N 3.28Å; I287-H289 PolarHBondContact O-N 3.39Å; H289-N293 PolarHBondContact CE1-OD1 3.26Å; H289-N293 PolarHBondContact ND1-ND2 2.84Å; H289-N293 VanDerWaalsContact ND1-ND2 3.13Å; H289-N293 PolarHBondContact ND1-OD1 3.33Å; H289-N293 VanDerWaalsContact ND1-OD1 3.16Å; H289-N293 VanDerWaalsContact O-CB 3.26Å; H289-N293 WeakPolarHBondContact O-CB 3.13Å; H289-N293 PolarHBondContact O-N 3.45Å; H289-N293 PolarHBondContact O-ND2 3.34Å; H289-N293 PolarHBondContact O-OD1 3.01Å
290	V	43.4	Very low	42.6	Very low	84 Å²	84	117 Å²	117	51%	0.509	56%	0.558	S	S	.	*	H	α-helix	trans	-65.9	-53.9	172.5	169.7	0	0	0	0	110.2	N286 I287 T292 N293 L294	N286-V290 WeakPolarHBondContact O-CG2 3.41Å; N286-V290 PolarHBondContact O-N 2.84Å; I287-V290 PolarHBondContact O-N 3.1Å; V290-T292 VanDerWaalsContact C-N 3.29Å; V290-T292 PolarHBondContact O-N 3.32Å; V290-N293 PolarHBondContact O-N 3.2Å; V290-L294 HydrophobicContact CG1-CD1 4.12Å; V290-L294 PolarHBondContact O-N 3.15Å
291	F	47	Very low	42.8	Very low	74 Å²	74	114.4 Å²	114.4	33%	0.325	55%	0.553	S	S	.	*	H	α-helix	trans	-59.4	-39	174.8	-79.3	-69	0	0	0	112.1	I287 N293 L294 R295	I287-F291 HydrophobicContact CG2-CD2 3.79Å; I287-F291 HydrophobicContact CG2-CE2 3.8Å; I287-F291 WeakPolarHBondContact O-CD2 3.32Å; I287-F291 PolarHBondContact O-N 2.89Å; F291-N293 PolarHBondContact O-N 3.04Å; F291-L294 PolarHBondContact O-N 3.2Å; F291-R295 WeakPolarHBondContact O-CB 3.32Å; F291-R295 PolarHBondContact O-N 2.92Å
292	T	50.9	Low	42.9	Very low	54 Å²	54	117.8 Å²	117.8	33%	0.331	57%	0.567	S	S	.	*	H	α-helix	trans	-66.8	-34.7	175.2	-61.5	0	0	0	0	112.4	K288 V290 K296	K288-T292 WeakPolarHBondContact O-CB 3.49Å; K288-T292 PolarHBondContact O-N 3.16Å; K288-T292 PolarHBondContact O-OG1 3.46Å; V290-T292 VanDerWaalsContact C-N 3.29Å; V290-T292 PolarHBondContact O-N 3.32Å; T292-K296 HydrophobicContact CG2-CD 4.07Å; T292-K296 HydrophobicContact CG2-CG 4.46Å; T292-K296 VanDerWaalsContact O-CB 3.32Å; T292-K296 WeakPolarHBondContact O-CB 3.4Å; T292-K296 WeakPolarHBondContact O-CG 3.27Å; T292-K296 PolarHBondContact O-N 3.42Å
293	N	45	Very low	42.6	Very low	80 Å²	80	122.9 Å²	122.9	43%	0.428	58%	0.578	S	S	.	*	H	α-helix	trans	-72.4	-40.8	177.2	-76.1	-11	0	0	0	111.9	H289 V290 F291 K296 S297	H289-N293 PolarHBondContact CE1-OD1 3.26Å; H289-N293 PolarHBondContact ND1-ND2 2.84Å; H289-N293 VanDerWaalsContact ND1-ND2 3.13Å; H289-N293 PolarHBondContact ND1-OD1 3.33Å; H289-N293 VanDerWaalsContact ND1-OD1 3.16Å; H289-N293 VanDerWaalsContact O-CB 3.26Å; H289-N293 WeakPolarHBondContact O-CB 3.13Å; H289-N293 PolarHBondContact O-N 3.45Å; H289-N293 PolarHBondContact O-ND2 3.34Å; H289-N293 PolarHBondContact O-OD1 3.01Å; V290-N293 PolarHBondContact O-N 3.2Å; F291-N293 PolarHBondContact O-N 3.04Å; N293-K296 WeakPolarHBondContact O-CB 3.49Å; N293-K296 PolarHBondContact O-N 2.89Å; N293-S297 PolarHBondContact O-N 3.49Å; N293-S297 PolarHBondContact O-OG 3.24Å
294	L	42.6	Very low	42.5	Very low	75 Å²	75	120.9 Å²	120.9	39%	0.393	58%	0.577	S	S	.	*	H	α-helix	trans	-59.2	-49.5	168.9	-71	164.9	0	0	0	110.7	V290 F291 K296 S297 F298	V290-L294 HydrophobicContact CG1-CD1 4.12Å; V290-L294 PolarHBondContact O-N 3.15Å; F291-L294 PolarHBondContact O-N 3.2Å; L294-K296 PolarHBondContact O-N 3.17Å; L294-K296 VanDerWaalsContact O-N 3.14Å; L294-S297 PolarHBondContact O-N 2.92Å; L294-S297 PolarHBondContact O-OG 3.07Å; L294-F298 HydrophobicContact CB-CD2 4.46Å; L294-F298 HydrophobicContact CB-CE2 4.38Å; L294-F298 HydrophobicContact CD2-CE2 4.22Å; L294-F298 WeakPolarHBondContact O-CD2 3.26Å; L294-F298 PolarHBondContact O-N 2.68Å
295	R	44.2	Very low	42.1	Very low	152 Å²	152	117.5 Å²	117.5	57%	0.574	58%	0.577	S	S	*	*	H	α-helix	trans	-65	-17	177.3	-151.7	177.5	-147.5	-163.5	8.8	113.4	F291 K299 E720	F291-R295 WeakPolarHBondContact O-CB 3.32Å; F291-R295 PolarHBondContact O-N 2.92Å; R295-K299 WeakPolarHBondContact O-CB 3.4Å; R295-K299 WeakPolarHBondContact O-CD 3.11Å; R295-K299 VanDerWaalsContact O-CG 3.27Å; R295-K299 WeakPolarHBondContact O-CG 3.2Å; R295-E720 IonicContact CZ-OE1 3.43Å; R295-E720 IonicContact NE-OE1 3.79Å; R295-E720 IonicContact NH2-OE1 2.68Å; R295-E720 PolarHBondContact NH2-OE1 3.01Å
296	K	45.7	Very low	41.6	Very low	126 Å²	126	120.6 Å²	120.6	55%	0.548	59%	0.594	S	S	.	*	H	α-helix	trans	-87.6	-42.3	171.1	-80.1	169.3	178.7	174.4	0	112.4	T292 N293 L294 K299	T292-K296 HydrophobicContact CG2-CD 4.07Å; T292-K296 HydrophobicContact CG2-CG 4.46Å; T292-K296 VanDerWaalsContact O-CB 3.32Å; T292-K296 WeakPolarHBondContact O-CB 3.4Å; T292-K296 WeakPolarHBondContact O-CG 3.27Å; T292-K296 PolarHBondContact O-N 3.42Å; N293-K296 WeakPolarHBondContact O-CB 3.49Å; N293-K296 PolarHBondContact O-N 2.89Å; L294-K296 PolarHBondContact O-N 3.17Å; L294-K296 VanDerWaalsContact O-N 3.14Å; K296-K299 PolarHBondContact O-N 3.26Å; K296-K299 VanDerWaalsContact O-N 3.07Å
297	S	42.8	Very low	41.1	Very low	63 Å²	63	125.6 Å²	125.6	44%	0.441	61%	0.611	S	S	.	*	H	α-helix	trans	-64.3	-42.2	177.2	59.8	0	0	0	0	111.2	N293 L294 K299	N293-S297 PolarHBondContact O-N 3.49Å; N293-S297 PolarHBondContact O-OG 3.24Å; L294-S297 PolarHBondContact O-N 2.92Å; L294-S297 PolarHBondContact O-OG 3.07Å; S297-K299 PolarHBondContact O-N 3.08Å
298	F	42.2	Very low	40.3	Very low	113 Å²	113	131.6 Å²	131.6	50%	0.496	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.4	-0.8	172	-63.5	-57.9	0	0	0	114.6	L294 L728	L294-F298 HydrophobicContact CB-CD2 4.46Å; L294-F298 HydrophobicContact CB-CE2 4.38Å; L294-F298 HydrophobicContact CD2-CE2 4.22Å; L294-F298 WeakPolarHBondContact O-CD2 3.26Å; L294-F298 PolarHBondContact O-N 2.68Å; F298-L728 HydrophobicContact CZ-CD2 4.38Å
299	K	45.7	Very low	39.5	Very low	159 Å²	159	130.3 Å²	130.3	69%	0.691	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	15.2	175.1	-94.3	-174.2	176.5	-173.5	0	114.2	R295 K296 S297 K301	R295-K299 WeakPolarHBondContact O-CB 3.4Å; R295-K299 WeakPolarHBondContact O-CD 3.11Å; R295-K299 VanDerWaalsContact O-CG 3.27Å; R295-K299 WeakPolarHBondContact O-CG 3.2Å; K296-K299 PolarHBondContact O-N 3.26Å; K296-K299 VanDerWaalsContact O-N 3.07Å; S297-K299 PolarHBondContact O-N 3.08Å; K299-K301 PolarHBondContact O-N 3Å
300	R	36.5	Very low	38.9	Very low	225 Å²	225	130.3 Å²	130.3	85%	0.849	64%	0.64	S	S	*	*			trans	-67.3	92.5	167.6	-75.2	-176.4	172.5	176.4	-0.3	109.9	D302	R300-D302 PolarHBondContact O-N 2.94Å
301	K	36.4	Very low	38.3	Very low	187 Å²	187	130.7 Å²	130.7	81%	0.813	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-48.2	134.6	179.8	-66.2	-176.5	177	-176.7	0	112.2	K299 K303	K299-K301 PolarHBondContact O-N 3Å; K301-K303 PolarHBondContact O-N 3.39Å
302	D	37.6	Very low	37.5	Very low	158 Å²	158	133.8 Å²	133.8	85%	0.845	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-53.6	118.2	152.3	-60	-70.5	0	0	0	109.2	R300	R300-D302 PolarHBondContact O-N 2.94Å
303	K	34.2	Very low	36.7	Very low	191 Å²	191	138.1 Å²	138.1	83%	0.83	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-87.5	116.8	166.9	-79.5	-172.5	174.2	-176	0	107.7	K301 S305	K301-K303 PolarHBondContact O-N 3.39Å; K303-S305 PolarHBondContact O-N 3.19Å; K303-S305 VanDerWaalsContact O-N 3.13Å
304	P	31.9	Very low	36.2	Very low	114 Å²	114	140.3 Å²	140.3	74%	0.74	69%	0.694	S	S	*	*			trans	-66.1	115.3	174	27.4	-33.2	0	0	0	109.2	V306	P304-V306 HydrophobicContact CB-CG2 4.49Å; P304-V306 PolarHBondContact O-N 2.85Å
305	S	32.5	Very low	35.9	Very low	121 Å²	121	143.9 Å²	143.9	85%	0.846	71%	0.714	S	S	*	*			trans	-78.4	55	-177.4	45.7	0	0	0	0	112.7	K303 K307	K303-S305 PolarHBondContact O-N 3.19Å; K303-S305 VanDerWaalsContact O-N 3.13Å; S305-K307 PolarHBondContact O-N 3.14Å
306	V	31.6	Very low	35.5	Very low	118 Å²	118	142.2 Å²	142.2	72%	0.715	72%	0.72	S	S	*	*			trans	-71.9	95.9	172.4	-178.3	0	0	0	0	109.1	P304 R308	P304-V306 HydrophobicContact CB-CG2 4.49Å; P304-V306 PolarHBondContact O-N 2.85Å; V306-R308 VanDerWaalsContact C-N 3.25Å; V306-R308 PolarHBondContact O-N 3.2Å
307	K	33.8	Very low	35	Very low	198 Å²	198	143.4 Å²	143.4	86%	0.861	73%	0.728	S	S	*	*			trans	-68.3	84.6	162.9	-85.1	-168.5	173.2	-174	0	109.4	S305 V309	S305-K307 PolarHBondContact O-N 3.14Å; K307-V309 PolarHBondContact O-N 2.85Å
308	R	29.7	Very low	34.6	Very low	212 Å²	212	145.4 Å²	145.4	80%	0.8	73%	0.734	S	S	*	*			trans	-78.2	92.3	160.7	-173.2	-172.9	-76.5	-179.3	-5.5	107.7	V306 V310	V306-R308 VanDerWaalsContact C-N 3.25Å; V306-R308 PolarHBondContact O-N 3.2Å; R308-V310 HydrophobicContact CG-CG2 3.78Å
309	V	31.2	Very low	34.3	Very low	130 Å²	130	146.8 Å²	146.8	79%	0.788	74%	0.74	S	S	*	*			trans	-68	137.3	160.4	-180	0	0	0	0	107.1	K307	K307-V309 PolarHBondContact O-N 2.85Å
310	V	31.9	Very low	33.7	Very low	102 Å²	102	148.7 Å²	148.7	62%	0.618	74%	0.744	S	S	*	*			trans	-126.5	164	178.7	179.5	0	0	0	0	107.3	R308	R308-V310 HydrophobicContact CG-CG2 3.78Å
311	S	30.8	Very low	33.5	Very low	92 Å²	92	143.6 Å²	143.6	64%	0.643	74%	0.738	S	S	*	*			trans	74.3	93.8	169.8	33.2	0	0	0	0	117.9
312	N	31.4	Very low	33.4	Very low	139 Å²	139	144.2 Å²	144.2	74%	0.743	74%	0.736	S	S	*	*				101.1	146.7	117	-64.7	7.1	0	0	0	119.9
313	H	33.3	Very low	33.3	Very low	146 Å²	146	143 Å²	143	68%	0.676	73%	0.73	S	S	*	*			trans	78.6	100.4	163.4	-69.3	-61.4	0	0	0	120
314	D	34.6	Very low	33.5	Very low	125 Å²	125	137.3 Å²	137.3	67%	0.668	71%	0.714	S	S	*	*				81.6	126.6	125.3	-47.9	-17.2	0	0	0	120.3
315	D	35.7	Very low	33.6	Very low	150 Å²	150	140.2 Å²	140.2	80%	0.802	72%	0.718	S	S	*	*			trans	65.6	147.1	139.1	-66.9	-1.4	0	0	0	121.4
316	V	36.9	Very low	33.6	Very low	118 Å²	118	143 Å²	143	72%	0.715	72%	0.717	S	S	*	*			cis	-156.9	143.7	-24.3	104.6	0	0	0	0	109.6
317	E	34.3	Very low	33.9	Very low	150 Å²	150	142 Å²	142	70%	0.701	71%	0.714	S	S	*	*			trans	49.4	158.6	161	-62.9	-157.9	148.3	0	0	124.6
318	N	35.2	Very low	33.9	Very low	106 Å²	106	139.7 Å²	139.7	57%	0.567	71%	0.708	S	S	*	*			trans	71.4	145.2	148	-65.5	-38	0	0	0	120.4
319	K	34.4	Very low	34.2	Very low	142 Å²	142	134.2 Å²	134.2	62%	0.617	70%	0.698	S	S	*	*			cis	-170.6	172.3	-30	-119.6	-177.5	-163.5	108.9	0	107.6
320	Y	35	Very low	34.3	Very low	199 Å²	199	134.1 Å²	134.1	78%	0.78	70%	0.698	S	S	*	*			trans	69.8	116.7	174.3	-46.2	-71.1	0	0	0	114.5
321	T	30.9	Very low	34.4	Very low	118 Å²	118	136.3 Å²	136.3	72%	0.724	70%	0.701	S	S	*	*			cis	80.9	113.3	32.2	-45.2	0	0	0	0	113.9
322	Y	35.2	Very low	34.4	Very low	199 Å²	199	135.7 Å²	135.7	78%	0.78	70%	0.697	S	S	*	*				179.5	136.3	121.8	-115.2	-102	0	0	0	113.9
323	N	35.7	Very low	34.5	Very low	133 Å²	133	138.1 Å²	138.1	71%	0.711	70%	0.697	S	S	*	*			trans	54.4	152.9	150.8	-74.9	13	0	0	0	122.8
324	S	36.8	Very low	34.6	Very low	72 Å²	72	140.6 Å²	140.6	50%	0.503	70%	0.702	S	S	.	*			cis	-157	151.3	-8.5	-130.1	0	0	0	0	113.7
325	Q	35.9	Very low	34.5	Very low	174 Å²	174	141.5 Å²	141.5	81%	0.813	71%	0.706	S	S	*	*			trans	40.6	135.7	130.5	-70	160.2	-10.7	0	0	120.6
326	Q	32.6	Very low	34.4	Very low	179 Å²	179	140.8 Å²	140.8	84%	0.836	70%	0.703	S	S	*	*			cis	58.8	175.1	20.5	-79.3	-149.2	14	0	0	116
327	P	37.5	Very low	34.2	Very low	98 Å²	98	139.3 Å²	139.3	64%	0.636	70%	0.697	S	S	*	*			cis	-91.9	-133.5	-16.9	5.8	18.6	0	0	0	110.7
328	M	34.2	Very low	34.3	Very low	150 Å²	150	138.6 Å²	138.6	74%	0.739	70%	0.698	S	S	*	*			cis	-142.9	156	0.7	-69.7	-76	-77.1	0	0	106.6
329	T	35.2	Very low	34.4	Very low	97 Å²	97	139.8 Å²	139.8	60%	0.595	71%	0.705	S	S	*	*			cis	89.7	116.8	19.1	71	0	0	0	0	118.6
330	T	33.4	Very low	34.4	Very low	128 Å²	128	142 Å²	142	79%	0.785	71%	0.71	S	S	*	*			trans	-164.9	157.8	146.9	49.7	0	0	0	0	108.3
331	H	33.6	Very low	34.4	Very low	147 Å²	147	138.6 Å²	138.6	68%	0.681	71%	0.706	S	S	*	*			cis	-155.3	120.3	-40.9	-100.2	-47.9	0	0	0	106.3
332	S	30.2	Very low	34.6	Very low	79 Å²	79	138.7 Å²	138.7	55%	0.552	70%	0.702	S	S	*	*				50.7	134.8	97.9	65	0	0	0	0	117.2
333	Y	33.3	Very low	34.7	Very low	190 Å²	190	136.3 Å²	136.3	75%	0.745	70%	0.698	S	S	*	*				166.2	116.4	123.7	-96.4	-76.4	0	0	0	113.9
334	Y	35.2	Very low	34.7	Very low	199 Å²	199	140 Å²	140	78%	0.78	70%	0.701	S	S	*	*			trans	60.3	158.6	137.7	-82.5	-127.8	0	0	0	120.5
335	N	33.3	Very low	34.7	Very low	144 Å²	144	142.8 Å²	142.8	77%	0.77	71%	0.711	S	S	*	*			cis	-144.5	-167.5	-8.2	-152.1	-5.7	0	0	0	112.2
336	N	33	Very low	34.7	Very low	135 Å²	135	142.8 Å²	142.8	72%	0.722	71%	0.708	S	S	*	*			trans	-105	175.1	-162	-168	15.9	0	0	0	115.9
337	S	33.8	Very low	34.9	Very low	86 Å²	86	142.4 Å²	142.4	60%	0.601	71%	0.706	S	S	*	*			trans	104.6	116.9	141.4	76.2	0	0	0	0	122.9
338	N	36.4	Very low	34.8	Very low	135 Å²	135	142 Å²	142	72%	0.722	71%	0.705	S	S	*	*				75.1	120.8	124.7	-62.8	-0.8	0	0	0	124.9
339	N	36.5	Very low	34.7	Very low	131 Å²	131	142.2 Å²	142.2	70%	0.701	71%	0.71	S	S	*	*				92.9	128.8	124	-76.9	-5	0	0	0	124.4
340	Y	34.2	Very low	34.7	Very low	189 Å²	189	142 Å²	142	74%	0.741	71%	0.713	S	S	*	*			trans	82.5	105.1	137.4	-87.7	-119.5	0	0	0	122.7
341	N	34.9	Very low	34.8	Very low	128 Å²	128	143.8 Å²	143.8	68%	0.684	72%	0.716	S	S	*	*				71.5	121.7	116.9	-74.1	21.8	0	0	0	124.1
342	D	34.9	Very low	34.8	Very low	120 Å²	120	141 Å²	141	64%	0.642	71%	0.713	S	S	*	*				75.4	113.5	122.8	-154.4	-16.5	0	0	0	119.8
343	H	39.1	Very low	35.1	Very low	149 Å²	149	142.8 Å²	142.8	69%	0.69	73%	0.726	S	S	*	*				-177.1	134	116.9	-88.8	-10.1	0	0	0	115.2
344	R	35.6	Very low	35.2	Very low	209 Å²	209	139.3 Å²	139.3	79%	0.789	73%	0.73	S	S	*	*			trans	37.9	142.6	135.6	-60.7	174.6	173.8	-179.7	-2.1	119.6
345	N	36.6	Very low	35.2	Very low	131 Å²	131	136.2 Å²	136.2	70%	0.701	73%	0.731	S	S	*	*			cis	-160.6	-178.6	11.7	-139	-21	0	0	0	112.7
346	K	35.9	Very low	35.4	Very low	175 Å²	175	134.6 Å²	134.6	76%	0.761	73%	0.729	S	S	*	*			trans	-45.3	161.3	171.9	-55.8	159.7	-173.9	179.9	0	113.7
347	Q	36.8	Very low	35.4	Very low	171 Å²	171	134.3 Å²	134.3	80%	0.799	72%	0.723	S	S	*	*			cis	-175.3	141	48.8	-151.8	159.6	-26.3	0	0	114.6
348	S	34.4	Very low	35.2	Very low	88 Å²	88	138.2 Å²	138.2	62%	0.615	73%	0.731	S	S	*	*			trans	46.8	133.3	150.1	60.2	0	0	0	0	125.3
349	N	32.6	Very low	34.8	Very low	156 Å²	156	141.4 Å²	141.4	83%	0.834	74%	0.735	S	S	*	*			trans	71.9	149	148.5	-61.4	-0.6	0	0	0	118.6
350	S	35.2	Very low	34.4	Very low	93 Å²	93	145.3 Å²	145.3	65%	0.65	74%	0.741	S	S	*	*			cis	-170.2	155.5	-10.8	47.3	0	0	0	0	111.8
351	L	35	Very low	34.4	Very low	164 Å²	164	147.8 Å²	147.8	86%	0.859	75%	0.749	S	S	*	*			trans	64.9	159	170.8	-86.5	71.7	0	0	0	115.8
352	S	34.8	Very low	34.2	Very low	89 Å²	89	148 Å²	148	62%	0.622	75%	0.751	S	S	*	*			cis	-165.6	150.2	-13.4	44	0	0	0	0	111
353	S	36.1	Very low	33.9	Very low	117 Å²	117	147.1 Å²	147.1	82%	0.818	75%	0.754	S	S	*	*			trans	57.2	146.4	159.3	51	0	0	0	0	119.7
354	S	34.9	Very low	33.6	Very low	117 Å²	117	145.9 Å²	145.9	82%	0.818	75%	0.752	S	S	*	*			cis	-146.8	168.5	-1.1	45	0	0	0	0	111.7
355	T	35	Very low	33.3	Very low	133 Å²	133	143.8 Å²	143.8	82%	0.816	75%	0.751	S	S	*	*			trans	-115.2	-176.6	-174	52.3	0	0	0	0	110.6
356	P	37.6	Very low	33.2	Very low	111 Å²	111	145.2 Å²	145.2	72%	0.721	76%	0.757	S	S	*	*			cis	-116.8	-149.7	-19	40	-22.5	0	0	0	109.3
357	H	32.4	Very low	32.9	Very low	128 Å²	128	144.4 Å²	144.4	59%	0.593	76%	0.756	S	S	*	*			cis	-153.8	168.1	-9.9	-140.5	-64.5	0	0	0	108.6	Y359	H357-Y359 AromaticContact CE1-CD2 3.75Å; H357-Y359 AromaticContact CE1-CE2 3.09Å; H357-Y359 WeakPolarHBondContact CE1-CE2 3.38Å; H357-Y359 AromaticContact CE1-CZ 3.45Å; H357-Y359 VanDerWaalsContact CE1-CZ 3.45Å; H357-Y359 AromaticContact ND1-CD2 3.58Å; H357-Y359 AromaticContact ND1-CE2 3.41Å; H357-Y359 WeakPolarHBondContact ND1-CE2 3.16Å; H357-Y359 AromaticContact NE2-CE2 3.48Å; H357-Y359 WeakPolarHBondContact NE2-CE2 3.44Å; H357-Y359 AromaticContact NE2-CZ 3.93Å
358	Q	30.5	Very low	32.7	Very low	168 Å²	168	143 Å²	143	79%	0.785	75%	0.749	S	S	*	*			trans	-131.9	154.8	152	-71.5	-175.5	-9.7	0	0	109.5
359	Y	28.7	Very low	32.7	Very low	202 Å²	202	145.1 Å²	145.1	79%	0.792	75%	0.754	S	S	*	*			trans	-136.2	111.9	168	-95	-72.5	0	0	0	112.5	H357	H357-Y359 AromaticContact CE1-CD2 3.75Å; H357-Y359 AromaticContact CE1-CE2 3.09Å; H357-Y359 WeakPolarHBondContact CE1-CE2 3.38Å; H357-Y359 AromaticContact CE1-CZ 3.45Å; H357-Y359 VanDerWaalsContact CE1-CZ 3.45Å; H357-Y359 AromaticContact ND1-CD2 3.58Å; H357-Y359 AromaticContact ND1-CE2 3.41Å; H357-Y359 WeakPolarHBondContact ND1-CE2 3.16Å; H357-Y359 AromaticContact NE2-CE2 3.48Å; H357-Y359 WeakPolarHBondContact NE2-CE2 3.44Å; H357-Y359 AromaticContact NE2-CZ 3.93Å
360	Y	28.4	Very low	32.5	Very low	214 Å²	214	146 Å²	146	84%	0.839	75%	0.753	S	S	*	*			trans	-91.8	132.3	154.3	-100.7	-98.7	0	0	0	107.9
361	R	32.5	Very low	32.4	Very low	240 Å²	240	147.3 Å²	147.3	91%	0.906	76%	0.762	S	S	*	*			trans	-168	154.6	137.3	-116.5	173.8	179.9	169	0	116.9
362	N	31.9	Very low	32.1	Very low	134 Å²	134	148 Å²	148	72%	0.717	76%	0.761	S	S	*	*			trans	-52.7	147.3	176	-61.3	-4.2	0	0	0	116.6
363	S	28.5	Very low	32.1	Very low	100 Å²	100	151.9 Å²	151.9	70%	0.699	77%	0.774	S	S	*	*				55	134.7	120.6	-50.2	0	0	0	0	123.8
364	N	31.9	Very low	31.7	Very low	124 Å²	124	150.7 Å²	150.7	66%	0.663	77%	0.765	S	S	*	*			trans	79.1	116.8	140.2	-73.1	37.1	0	0	0	122.4
365	E	29.6	Very low	31.6	Very low	165 Å²	165	153 Å²	153	77%	0.771	77%	0.769	S	S	*	*				74.8	164.8	127.8	-63.9	174.2	124.5	0	0	121.3
366	I	34.1	Very low	31.4	Very low	160 Å²	160	155.5 Å²	155.5	82%	0.821	77%	0.771	S	S	*	*			trans	67	107.5	176.2	-45.8	-178.9	0	0	0	113.5
367	Q	31.1	Very low	31.2	Very low	159 Å²	159	160 Å²	160	74%	0.743	78%	0.783	S	S	*	*			cis	88.8	130.4	42.2	-169.8	172	-32.8	0	0	114.1
368	E	32.1	Very low	31.1	Very low	140 Å²	140	158.9 Å²	158.9	65%	0.654	79%	0.789	S	S	*	*			trans	93.6	142.4	151.2	-107.6	171.3	-114.3	0	0	124.6
369	N	33.3	Very low	31.2	Very low	133 Å²	133	159.6 Å²	159.6	71%	0.711	80%	0.797	S	S	*	*			trans	90	150.9	148.2	-67.8	-38.3	0	0	0	122.3
370	Q	28.8	Very low	31.2	Very low	175 Å²	175	156.4 Å²	156.4	82%	0.818	79%	0.794	S	S	*	*			trans	-107.9	149.6	-162.4	-49.6	164.6	12.4	0	0	108.8
371	S	34.3	Very low	31.4	Very low	120 Å²	120	153.6 Å²	153.6	84%	0.839	79%	0.792	S	S	*	*				-179.3	158.4	122.7	-85.7	0	0	0	0	113.7
372	Q	28.8	Very low	31.4	Very low	179 Å²	179	146.2 Å²	146.2	84%	0.836	78%	0.777	S	S	*	*			trans	-50.9	146.6	173.4	-53.5	158.7	16	0	0	112.9
373	L	34.1	Very low	31.2	Very low	170 Å²	170	146.5 Å²	146.5	89%	0.89	78%	0.777	S	S	*	*				-168.3	155.3	112.2	-101.6	164.6	0	0	0	111.3
374	S	27.9	Very low	31.2	Very low	92 Å²	92	146.9 Å²	146.9	64%	0.643	78%	0.775	S	S	*	*			trans	-92	155.8	-179.7	50.4	0	0	0	0	112.2
375	N	32.5	Very low	31	Very low	167 Å²	167	147.8 Å²	147.8	89%	0.893	78%	0.78	S	S	*	*			trans	-155.8	136.6	135.3	-102.2	-18.4	0	0	0	110.5
376	E	30.8	Very low	31.2	Very low	185 Å²	185	146.3 Å²	146.3	86%	0.864	79%	0.788	S	S	*	*			trans	-93	145.2	171.9	-58	178.3	136.2	0	0	109.2
377	Q	33.9	Very low	30.9	Very low	206 Å²	206	146.5 Å²	146.5	96%	0.963	79%	0.79	S	S	*	*			trans	-136	127.5	148	-83	-163.2	-28.6	0	0	109.5
378	S	29.7	Very low	30.9	Very low	103 Å²	103	147.1 Å²	147.1	72%	0.72	79%	0.793	S	S	*	*			trans	-99.9	146.7	-171.3	54.5	0	0	0	0	112.2
379	L	33	Very low	30.9	Very low	184 Å²	184	149 Å²	149	96%	0.963	80%	0.801	S	S	*	*			trans	-118.5	128.2	145.2	-80.8	171.6	0	0	0	107.9
380	N	27.8	Very low	30.7	Very low	134 Å²	134	149.3 Å²	149.3	72%	0.717	80%	0.803	S	S	*	*			trans	-146	106.3	-167.1	-175.1	26.4	0	0	0	109.8
381	I	33.4	Very low	30.9	Very low	156 Å²	156	150.1 Å²	150.1	80%	0.8	80%	0.803	S	S	*	*			trans	-142.4	105.9	173.9	-53.8	-179.8	0	0	0	104
382	S	31.4	Very low	30.6	Very low	85 Å²	85	154.4 Å²	154.4	59%	0.594	80%	0.801	S	S	*	*				75.5	134.1	60.9	-63	0	0	0	0	113.3
383	I	27.8	Very low	30.9	Very low	140 Å²	140	152 Å²	152	72%	0.718	80%	0.801	S	S	*	*			cis	-165.2	153.7	-20.8	-134.8	164.2	0	0	0	109.1
384	T	28.7	Very low	30.8	Very low	107 Å²	107	151.7 Å²	151.7	66%	0.656	80%	0.795	S	S	*	*			trans	58.4	143.1	160.8	53.1	0	0	0	0	123.4
385	D	27.6	Very low	31.3	Very low	144 Å²	144	156.7 Å²	156.7	77%	0.77	81%	0.808	S	S	*	*			trans	57.4	113	135	-54.6	-9.1	0	0	0	122.8
386	S	34.2	Very low	31.1	Very low	133 Å²	133	155.9 Å²	155.9	93%	0.93	80%	0.804	S	S	*	*			trans	-152	92.3	137.2	-79.7	0	0	0	0	109.5
387	L	27.8	Very low	31.2	Very low	164 Å²	164	155.2 Å²	155.2	86%	0.859	81%	0.805	S	S	*	*			trans	-122.3	145.4	173.4	-132.7	175.5	0	0	0	107.7
388	Q	30.9	Very low	31.1	Very low	172 Å²	172	151.8 Å²	151.8	80%	0.804	79%	0.794	S	S	*	*			trans	83.8	154.2	-177.4	-49	-178.6	9.3	0	0	116.9
389	Q	31.6	Very low	31.1	Very low	179 Å²	179	153.5 Å²	153.5	84%	0.836	79%	0.793	S	S	*	*			trans	73.1	136.1	-179.3	-46.3	-172.6	60	0	0	113.9
390	L	30.6	Very low	31.1	Very low	141 Å²	141	151.1 Å²	151.1	74%	0.738	79%	0.786	S	S	*	*			cis	-129	148.8	6	-80.1	88.9	0	0	0	114.1
391	K	32.4	Very low	31.1	Very low	191 Å²	191	153.8 Å²	153.8	83%	0.83	79%	0.787	S	S	*	*			trans	33.5	131.9	141.9	-59.6	-176.3	178.7	-179.3	0	122.3
392	R	28	Very low	31.2	Very low	211 Å²	211	152.7 Å²	152.7	80%	0.796	79%	0.793	S	S	*	*			trans	-71	166.8	152.7	-66.1	-178.3	-179.6	169	-3.5	112.1
393	P	35.3	Very low	31.1	Very low	129 Å²	129	153.4 Å²	153.4	84%	0.838	80%	0.795	S	S	*	*				-108.1	164.4	121.4	34	-34.4	0	0	0	112.3
394	E	31.8	Very low	31.4	Very low	162 Å²	162	156.2 Å²	156.2	76%	0.757	81%	0.805	S	S	*	*			trans	-102.5	153.8	179.8	-63.7	162.5	139.4	0	0	110.1
395	E	37.3	Very low	31.3	Very low	197 Å²	197	158.2 Å²	158.2	92%	0.921	81%	0.81	S	S	*	*			trans	-166.4	153.9	142.1	-110.3	165.6	-147.9	0	0	109.8
396	D	29.1	Very low	31.6	Very low	150 Å²	150	159.8 Å²	159.8	80%	0.802	82%	0.817	S	S	*	*			trans	-94	163.4	-161	-63.2	-67	0	0	0	115.1
397	L	34	Very low	31.3	Very low	172 Å²	172	157.6 Å²	157.6	90%	0.901	81%	0.807	S	S	*	*				-179.8	71.9	127.3	-94.7	163.3	0	0	0	113.4
398	D	30.3	Very low	31.7	Very low	134 Å²	134	155.9 Å²	155.9	72%	0.717	81%	0.806	S	S	*	*				30.5	150.5	129.5	-131.8	-2.7	0	0	0	124.9
399	I	30.3	Very low	31.9	Very low	139 Å²	139	153.5 Å²	153.5	71%	0.713	81%	0.805	S	S	*	*			trans	69.3	136.8	155.7	-68.9	153.3	0	0	0	117.4
400	V	33	Very low	31.9	Very low	134 Å²	134	149.8 Å²	149.8	81%	0.812	81%	0.805	S	S	*	*			cis	-127.6	151.3	19.4	-164.3	0	0	0	0	112.6
401	Y	28.2	Very low	31.9	Very low	190 Å²	190	150.9 Å²	150.9	75%	0.745	81%	0.81	S	S	*	*			trans	-84.8	156.9	172.7	-86.4	-113.5	0	0	0	114.9	T403	Y401-T403 HydrophobicContact CD1-CG2 4.02Å; Y401-T403 HydrophobicContact CE1-CG2 4.44Å
402	S	34.9	Very low	31.9	Very low	132 Å²	132	147.8 Å²	147.8	92%	0.923	81%	0.809	S	S	*	*			trans	-157.1	98.2	142	-81.5	0	0	0	0	110.8
403	T	29.2	Very low	31.9	Very low	101 Å²	101	143.5 Å²	143.5	62%	0.62	81%	0.807	S	S	*	*			trans	-107.1	145.1	178.9	47.1	0	0	0	0	111.6	Y401	Y401-T403 HydrophobicContact CD1-CG2 4.02Å; Y401-T403 HydrophobicContact CE1-CG2 4.44Å
404	E	33.6	Very low	31.8	Very low	199 Å²	199	145.7 Å²	145.7	93%	0.93	80%	0.803	S	S	*	*			trans	-143.6	129.9	150.6	-132	171.6	-143.3	0	0	110.8
405	L	27.7	Very low	31.7	Very low	148 Å²	148	146 Å²	146	78%	0.775	81%	0.806	S	S	*	*			trans	-107.1	158.7	173.8	-69.8	87.9	0	0	0	109.2
406	I	33.1	Very low	31.4	Very low	177 Å²	177	141.7 Å²	141.7	91%	0.908	80%	0.798	S	S	*	*			trans	-164.1	148.5	136.3	-100.8	146.6	0	0	0	109.4
407	A	28.2	Very low	31.5	Very low	88 Å²	88	139.7 Å²	139.7	73%	0.727	80%	0.796	S	S	*	*			trans	-108.9	161.6	-167.9	0	0	0	0	0	114.1
408	P	36.2	Very low	31.6	Very low	128 Å²	128	138.2 Å²	138.2	83%	0.831	79%	0.789	S	S	*	*			trans	-99.1	163.3	-176	38.7	-35.8	0	0	0	114.5
409	P	34.8	Very low	31.8	Very low	122 Å²	122	137.1 Å²	137.1	79%	0.792	79%	0.789	S	S	*	*			trans	-129.1	141.6	171.7	38	-24.5	0	0	0	118
410	A	32	Very low	31.9	Very low	100 Å²	100	137.6 Å²	137.6	83%	0.826	79%	0.793	S	S	*	*			trans	70.6	140.7	143.9	0	0	0	0	0	122.7
411	I	30	Very low	32	Very low	165 Å²	165	138.6 Å²	138.6	85%	0.846	79%	0.794	S	S	*	*			trans	-144.9	133.4	-175.9	-63.9	164.6	0	0	0	110.8
412	P	33.1	Very low	32.3	Very low	126 Å²	126	134.6 Å²	134.6	82%	0.818	79%	0.791	S	S	*	*			trans	-119.1	136.2	168.3	31	-14.8	0	0	0	115.6
413	T	28.5	Very low	32.1	Very low	120 Å²	120	136.4 Å²	136.4	74%	0.736	79%	0.789	S	S	*	*			trans	-71.7	160.4	176	50.5	0	0	0	0	117.9
414	K	32.2	Very low	32	Very low	175 Å²	175	141.5 Å²	141.5	76%	0.761	80%	0.798	S	S	*	*				168.5	130	105.6	-92.8	-174.8	-176.6	-178.4	0	116.5
415	M	29.8	Very low	31.9	Very low	168 Å²	168	137.9 Å²	137.9	83%	0.828	79%	0.789	S	S	*	*			trans	57.3	159.1	138.1	-52.6	178.1	79.8	0	0	119.4
416	S	31.5	Very low	32	Very low	108 Å²	108	137.2 Å²	137.2	76%	0.755	79%	0.787	S	S	*	*			cis	-146.4	-177.5	11.2	-158.8	0	0	0	0	112.6
417	S	30.3	Very low	32	Very low	107 Å²	107	135.6 Å²	135.6	75%	0.748	78%	0.775	S	S	*	*			trans	-117	152.3	-168.5	56.8	0	0	0	0	115.7
418	D	36.3	Very low	32.1	Very low	141 Å²	141	135.9 Å²	135.9	75%	0.754	77%	0.771	S	S	*	*			trans	-158.8	126.2	142.5	-168.6	-0.8	0	0	0	112.1	N420	D418-N420 PolarHBondContact OD1-N 2.92Å
419	P	34.4	Very low	32	Very low	112 Å²	112	137.2 Å²	137.2	73%	0.727	77%	0.77	S	S	*	*			trans	-124.6	62.8	172.4	41.1	-27.2	0	0	0	114.6
420	N	33.1	Very low	31.7	Very low	149 Å²	149	140.9 Å²	140.9	80%	0.797	77%	0.773	S	S	*	*			trans	-160.7	88.1	164.5	-98.2	-42.5	0	0	0	115.4	D418	D418-N420 PolarHBondContact OD1-N 2.92Å
421	N	34.2	Very low	31.8	Very low	155 Å²	155	141.1 Å²	141.1	83%	0.829	77%	0.767	S	S	*	*			trans	-163.4	133.1	155.4	-127.8	-23.6	0	0	0	113.6
422	P	35.3	Very low	32	Very low	106 Å²	106	141.1 Å²	141.1	69%	0.688	77%	0.768	S	S	*	*			trans	-97.5	175.2	171.2	38.9	-34.2	0	0	0	112.3
423	I	31.3	Very low	31.9	Very low	169 Å²	169	145.8 Å²	145.8	87%	0.867	77%	0.77	S	S	*	*			trans	-179.6	164.5	137.2	-95.1	155.6	0	0	0	111.3
424	Y	27.2	Very low	32.2	Very low	209 Å²	209	145.5 Å²	145.5	82%	0.82	77%	0.77	S	S	*	*			trans	-104.6	-178.3	-167.1	-119.6	-101.9	0	0	0	113.5
425	V	29.8	Very low	32.5	Very low	123 Å²	123	142.3 Å²	142.3	75%	0.745	77%	0.767	S	S	*	*			trans	62.9	160.7	161.4	-66.5	0	0	0	0	117.3
426	N	31.1	Very low	32.5	Very low	134 Å²	134	140.9 Å²	140.9	72%	0.717	76%	0.763	S	S	*	*			cis	-157.8	179	4.3	-132.9	-9	0	0	0	109.2
427	H	32.4	Very low	32.7	Very low	143 Å²	143	143.9 Å²	143.9	66%	0.662	77%	0.768	S	S	*	*			cis	-161.3	143	-6.8	-164	54.4	0	0	0	111.7
428	S	30.5	Very low	32.7	Very low	93 Å²	93	144.8 Å²	144.8	65%	0.65	77%	0.765	S	S	*	*			trans	57.8	176.4	156.3	-71.6	0	0	0	0	118.6
429	I	33.9	Very low	32.7	Very low	157 Å²	157	149.5 Å²	149.5	81%	0.805	77%	0.772	S	S	*	*			cis	-137.4	154.8	16.2	-64.5	166.7	0	0	0	111.1
430	K	29.9	Very low	32.7	Very low	198 Å²	198	151.5 Å²	151.5	86%	0.861	77%	0.769	S	S	*	*			trans	-115.7	153.5	161.6	-80.2	-175.9	177.2	177.2	0	110.6
431	P	33.4	Very low	32.8	Very low	106 Å²	106	151 Å²	151	69%	0.688	76%	0.762	S	S	*	*				-145.6	144	126.6	32.7	-15.3	0	0	0	117.2
432	N	34.3	Very low	32.8	Very low	164 Å²	164	150.4 Å²	150.4	88%	0.877	76%	0.759	S	S	*	*			trans	66.1	140.9	137.6	-57.1	-9.4	0	0	0	124.5
433	R	30.3	Very low	32.7	Very low	224 Å²	224	151.3 Å²	151.3	85%	0.845	76%	0.758	S	S	*	*			trans	-103	174.2	167.6	-148.9	-171.6	-177.3	-179.4	0.5	107.7
434	P	35.3	Very low	32.7	Very low	114 Å²	114	152.8 Å²	152.8	74%	0.74	75%	0.754	S	S	*	*				-149.8	-138.4	81.8	43.4	-20.1	0	0	0	113.4
435	P	38.2	Very low	33.2	Very low	109 Å²	109	148 Å²	148	71%	0.708	75%	0.747	S	S	*	*				-134.8	-165.3	-128.6	39.5	-13.9	0	0	0	117.6
436	N	29.6	Very low	33.4	Very low	137 Å²	137	148.2 Å²	148.2	73%	0.733	74%	0.744	S	S	*	*			trans	-28.4	147	177.9	-62.2	15.2	0	0	0	120
437	I	35.6	Very low	33.3	Very low	171 Å²	171	152.1 Å²	152.1	88%	0.877	75%	0.75	S	S	*	*			trans	-137.4	139.2	140	-64.3	-174.4	0	0	0	108.9
438	D	31.6	Very low	33.5	Very low	126 Å²	126	150.3 Å²	150.3	67%	0.674	75%	0.751	S	S	*	*			trans	-90.9	160	-177.2	-63.4	-78.9	0	0	0	115.3
439	R	34.9	Very low	33.6	Very low	241 Å²	241	151.9 Å²	151.9	91%	0.909	76%	0.757	S	S	*	*			trans	-167.7	101.3	143.3	-101.1	155.8	-174.3	174.6	2.3	107.9
440	K	35	Very low	33.5	Very low	153 Å²	153	155.6 Å²	155.6	67%	0.665	76%	0.761	S	S	*	*				81	123.5	70.2	-91.6	177.4	153.7	-80.6	0	114.7
441	E	34.5	Very low	33.6	Very low	138 Å²	138	151.6 Å²	151.6	65%	0.645	76%	0.755	S	S	*	*			trans	64.6	134.6	139.2	-71.7	151.6	179.3	0	0	118.7
442	N	35.1	Very low	33.5	Very low	143 Å²	143	156.5 Å²	156.5	77%	0.765	76%	0.76	S	S	*	*			cis	-135.4	159.7	0.1	-65.1	-57.3	0	0	0	108.2
443	D	32.7	Very low	33.4	Very low	126 Å²	126	156.7 Å²	156.7	67%	0.674	76%	0.76	S	S	*	*			cis	94	134.5	22.9	-151.2	14.7	0	0	0	115.5
444	Y	32.6	Very low	33.3	Very low	199 Å²	199	155.2 Å²	155.2	78%	0.78	76%	0.756	S	S	*	*			trans	62.3	152.4	-172.4	-62.9	-89.6	0	0	0	117.1
445	T	35.8	Very low	33.1	Very low	110 Å²	110	158 Å²	158	68%	0.675	76%	0.759	S	S	*	*			cis	-150.7	155.4	4.9	-7.9	0	0	0	0	112.9
446	D	34.3	Very low	32.7	Very low	127 Å²	127	157.6 Å²	157.6	68%	0.679	76%	0.757	S	S	*	*			trans	52.6	111.2	144.4	-62.6	-21	0	0	0	126.4
447	Y	29.4	Very low	32.8	Very low	215 Å²	215	156.9 Å²	156.9	84%	0.843	76%	0.757	S	S	*	*				61.4	165.4	122.4	-78.9	-74.3	0	0	0	120.9
448	P	36.8	Very low	32.5	Very low	105 Å²	105	159.3 Å²	159.3	68%	0.682	76%	0.757	S	S	*	*			trans	-134.1	-166.6	-134.1	40.7	-19.1	0	0	0	116.1
449	T	32.4	Very low	32.3	Very low	126 Å²	126	162 Å²	162	77%	0.773	77%	0.765	S	S	*	*			trans	99.5	95	159.5	-39.8	0	0	0	0	117.5
450	R	31.6	Very low	32	Very low	235 Å²	235	155.5 Å²	155.5	89%	0.887	76%	0.757	S	S	*	*				-174.6	160.9	126.8	-102.4	168.9	-173.6	-130.4	-2.4	111.6
451	P	32.2	Very low	31.5	Very low	114 Å²	114	153.1 Å²	153.1	74%	0.74	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-79.7	140.8	-165.3	31.1	-35.2	0	0	0	113.3
452	R	31.8	Very low	31.1	Very low	209 Å²	209	151.9 Å²	151.9	79%	0.789	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-79.5	117.6	170.7	-70.2	-173.8	177.5	-172.8	-1.5	110.6
453	L	32.8	Very low	30.6	Very low	169 Å²	169	152.8 Å²	152.8	89%	0.885	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-63.6	133.9	148.6	-83.4	75.7	0	0	0	107.5
454	Y	27.2	Very low	30.4	Very low	192 Å²	192	150.8 Å²	150.8	75%	0.753	77%	0.768	S	S	*	*			trans	-99.7	110	170	-110.5	-90.1	0	0	0	109
455	Q	30.5	Very low	30.2	Very low	172 Å²	172	150.1 Å²	150.1	80%	0.804	77%	0.769	S	S	*	*			trans	-75.8	129.2	157	-74	178.5	-50.4	0	0	108.2	T457	Q455-T457 PolarHBondContact O-N 3.5Å
456	P	31.2	Very low	29.9	Very low	102 Å²	102	151.3 Å²	151.3	66%	0.662	77%	0.772	S	S	*	*			trans	-79	95.1	166.5	31.2	-30.6	0	0	0	108.9	Y458	P456-Y458 PolarHBondContact O-N 3.33Å
457	T	30.9	Very low	29.8	Very low	121 Å²	121	152.4 Å²	152.4	74%	0.742	77%	0.773	S	S	*	*			trans	-66.1	113.3	167.1	-49	0	0	0	0	108.3	Q455 Q459	Q455-T457 PolarHBondContact O-N 3.5Å; T457-Q459 PolarHBondContact O-N 3.08Å
458	Y	29.2	Very low	29.9	Very low	223 Å²	223	152.6 Å²	152.6	88%	0.875	77%	0.774	S	S	*	*			trans	-70.5	95.3	176.5	-78.2	-94.9	0	0	0	110.3	P456	P456-Y458 PolarHBondContact O-N 3.33Å
459	Q	27.3	Very low	29.8	Very low	181 Å²	181	154.4 Å²	154.4	85%	0.846	78%	0.778	S	S	*	*			trans	-99.9	105.8	153.8	-75.5	-173	-32.3	0	0	107.8	T457 A461	T457-Q459 PolarHBondContact O-N 3.08Å; Q459-A461 PolarHBondContact O-N 3.15Å
460	S	27.8	Very low	29.9	Very low	105 Å²	105	156 Å²	156	73%	0.734	78%	0.776	S	S	*	*			trans	-64.3	115.2	170.6	32.3	0	0	0	0	109.1	T462	S460-T462 PolarHBondContact O-N 2.92Å
461	A	24.5	Very low	30.1	Very low	103 Å²	103	153.5 Å²	153.5	85%	0.851	77%	0.774	S	S	*	*			trans	-72.6	78.3	172.5	0	0	0	0	0	109.9	Q459 L463	Q459-A461 PolarHBondContact O-N 3.15Å; A461-L463 PolarHBondContact O-N 3.33Å
462	T	27.7	Very low	30	Very low	113 Å²	113	157.7 Å²	157.7	69%	0.693	78%	0.776	S	S	*	*			trans	-59.5	129.8	165.9	29.1	0	0	0	0	109.2	S460 S464	S460-T462 PolarHBondContact O-N 2.92Å; T462-S464 PolarHBondContact O-N 3.03Å
463	L	24.9	Very low	30.1	Very low	162 Å²	162	154.7 Å²	154.7	85%	0.848	78%	0.776	S	S	*	*			trans	-71.8	77.2	165	-100.4	164.8	0	0	0	108.6	A461 F465	A461-L463 PolarHBondContact O-N 3.33Å; L463-F465 PolarHBondContact O-N 3.17Å
464	S	28.3	Very low	30.1	Very low	84 Å²	84	154.6 Å²	154.6	59%	0.587	78%	0.776	S	S	*	*			trans	-65.8	98.5	169.7	56	0	0	0	0	108.9	T462 N466	T462-S464 PolarHBondContact O-N 3.03Å; S464-N466 VanDerWaalsContact C-N 3.33Å; S464-N466 PolarHBondContact O-N 3.38Å
465	F	27	Very low	30.3	Very low	184 Å²	184	148.5 Å²	148.5	81%	0.807	77%	0.772	S	S	*	*			trans	-64.3	100.2	156.9	-87.5	-99.5	0	0	0	107.2	L463 E467	L463-F465 PolarHBondContact O-N 3.17Å; F465-E467 PolarHBondContact O-N 2.97Å
466	N	30.1	Very low	30.1	Very low	136 Å²	136	147.2 Å²	147.2	73%	0.727	78%	0.776	S	S	*	*			trans	-69.7	86.3	167.3	-75.4	12	0	0	0	107.7	S464 Y468	S464-N466 VanDerWaalsContact C-N 3.33Å; S464-N466 PolarHBondContact O-N 3.38Å; N466-Y468 PolarHBondContact O-N 3.41Å
467	E	32.3	Very low	29.9	Very low	150 Å²	150	150.4 Å²	150.4	70%	0.701	79%	0.786	S	S	*	*			trans	-75.6	35.5	-179.7	-154.6	162.4	-154.5	0	0	112	F465 R600	F465-E467 PolarHBondContact O-N 2.97Å; E467-R600 IonicContact OE1-NH2 3.42Å
468	Y	30.9	Very low	29.9	Very low	219 Å²	219	153.4 Å²	153.4	86%	0.859	79%	0.789	S	S	*	*			trans	-141.2	68.1	-175.4	-77.1	-80.4	0	0	0	111	N466	N466-Y468 PolarHBondContact O-N 3.41Å
469	D	35.2	Very low	30	Very low	143 Å²	143	149 Å²	149	77%	0.765	79%	0.788	S	S	*	*			trans	-155.9	62	157.8	-130.7	-16.5	0	0	0	110.9
470	H	35.6	Very low	30.1	Very low	158 Å²	158	152 Å²	152	73%	0.731	79%	0.791	S	S	*	*			trans	-115.5	56.2	176.4	-82.7	0.7	0	0	0	111.6	Y472	H470-Y472 HydrophobicContact CB-CE2 4.41Å; H470-Y472 PolarHBondContact O-N 2.91Å; H470-Y472 VanDerWaalsContact O-N 3.15Å
471	H	35.5	Very low	30.3	Very low	184 Å²	184	158.2 Å²	158.2	85%	0.852	80%	0.799	S	S	*	*			trans	-76.7	92.9	160.3	-79.3	10.8	0	0	0	109.8	N473	H471-N473 PolarHBondContact O-N 3.14Å
472	Y	29.5	Very low	30.5	Very low	201 Å²	201	158.8 Å²	158.8	79%	0.788	79%	0.794	S	S	*	*			trans	-62.3	119.6	172.4	-85.7	-101.1	0	0	0	110.8	H470	H470-Y472 HydrophobicContact CB-CE2 4.41Å; H470-Y472 PolarHBondContact O-N 2.91Å; H470-Y472 VanDerWaalsContact O-N 3.15Å
473	N	34.3	Very low	30.7	Very low	147 Å²	147	162.8 Å²	162.8	79%	0.786	80%	0.802	S	S	*	*			trans	-158.6	104.3	152.6	-105.4	-45.6	0	0	0	111.2	H471 G475	H471-N473 PolarHBondContact O-N 3.14Å; N473-G475 PolarHBondContact O-N 2.92Å
474	N	32.4	Very low	30.9	Very low	167 Å²	167	162.3 Å²	162.3	89%	0.893	80%	0.798	S	S	*	*	S	Bend	trans	35.4	76.2	153.1	-59.3	-20.2	0	0	0	117.9
475	G	31.4	Very low	30.9	Very low	64 Å²	64	165 Å²	165	66%	0.66	81%	0.805	S	S	*	*			trans	-162.6	129.2	171.7	0	0	0	0	0	114.8	N473 L477	N473-G475 PolarHBondContact O-N 2.92Å; G475-L477 PolarHBondContact O-N 3.46Å; G475-L477 VanDerWaalsContact O-N 3.12Å
476	T	26.4	Very low	31.2	Very low	145 Å²	145	161.8 Å²	161.8	89%	0.89	80%	0.8	S	S	*	*			trans	-66.8	106.4	-175.3	-44	0	0	0	0	112.8	K478	T476-K478 PolarHBondContact O-N 2.91Å
477	L	27.6	Very low	31.1	Very low	168 Å²	168	162.2 Å²	162.2	88%	0.88	80%	0.798	S	S	*	*			trans	-72.4	112.8	177.6	-73.4	174.1	0	0	0	112.1	G475	G475-L477 PolarHBondContact O-N 3.46Å; G475-L477 VanDerWaalsContact O-N 3.12Å
478	K	30.9	Very low	30.9	Very low	185 Å²	185	166.1 Å²	166.1	80%	0.804	81%	0.806	S	S	*	*			trans	-74.3	141.2	169	-65.3	176.7	-179.2	174.9	0	110	T476 R480	T476-K478 PolarHBondContact O-N 2.91Å; K478-R480 PolarHBondContact O-N 3.13Å
479	P	30.8	Very low	30.6	Very low	129 Å²	129	164.4 Å²	164.4	84%	0.838	80%	0.799	S	S	*	*			trans	-62.8	109.4	179.3	24.8	-33.7	0	0	0	111.3	R481	P479-R481 PolarHBondContact O-N 2.75Å
480	R	28.4	Very low	30.4	Very low	245 Å²	245	166.9 Å²	166.9	93%	0.925	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-68.3	118.7	171.9	-98.8	179.2	168.8	157.5	-3	109	K478	K478-R480 PolarHBondContact O-N 3.13Å
481	R	31.8	Very low	30	Very low	236 Å²	236	162.4 Å²	162.4	89%	0.891	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-60.7	132.9	168	-69.5	-178.7	177.3	170.6	-1.1	109.1	P479 K483	P479-R481 PolarHBondContact O-N 2.75Å; R481-K483 PolarHBondContact O-N 3.06Å
482	P	30	Very low	29.9	Very low	114 Å²	114	159.3 Å²	159.3	74%	0.74	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-62.7	130.9	175	25.7	-33.3	0	0	0	110.1	I484	P482-I484 PolarHBondContact O-N 3.35Å; P482-I484 VanDerWaalsContact O-N 3.17Å
483	K	30.6	Very low	29.9	Very low	198 Å²	198	155.2 Å²	155.2	86%	0.861	78%	0.776	S	S	*	*			trans	-74.7	100	167	-86.1	-173.7	173.5	-178.7	0	108.1	R481 I485	R481-K483 PolarHBondContact O-N 3.06Å; K483-I485 PolarHBondContact O-N 3.48Å; K483-I485 VanDerWaalsContact O-N 3.08Å
484	I	29.7	Very low	29.8	Very low	151 Å²	151	153.3 Å²	153.3	77%	0.774	77%	0.769	S	S	*	*			trans	-67	105.8	166.1	-57.5	174.5	0	0	0	107.2	P482	P482-I484 PolarHBondContact O-N 3.35Å; P482-I484 VanDerWaalsContact O-N 3.17Å
485	I	29.5	Very low	29.7	Very low	142 Å²	142	153.8 Å²	153.8	73%	0.728	76%	0.76	S	S	*	*			trans	-76.7	121.4	168.7	-62.6	178.2	0	0	0	106.7	K483 E487	K483-I485 PolarHBondContact O-N 3.48Å; K483-I485 VanDerWaalsContact O-N 3.08Å; I485-E487 PolarHBondContact O-N 2.87Å; I485-E487 VanDerWaalsContact O-N 3.13Å
486	T	32	Very low	29.8	Very low	116 Å²	116	157.9 Å²	157.9	71%	0.712	77%	0.767	S	S	*	*			trans	-83.5	88.2	-179.5	-41.8	0	0	0	0	109.9	R488	T486-R488 PolarHBondContact O-N 3.28Å; T486-R488 VanDerWaalsContact O-N 3.14Å
487	E	28.7	Very low	30.3	Very low	144 Å²	144	160.4 Å²	160.4	67%	0.673	76%	0.76	S	S	*	*			trans	-62.7	114.6	171.3	-66.2	-163.8	157	0	0	110.1	I485 Y489	I485-E487 PolarHBondContact O-N 2.87Å; I485-E487 VanDerWaalsContact O-N 3.13Å; E487-Y489 HydrophobicContact CB-CE2 4.44Å; E487-Y489 PolarHBondContact O-N 3.36Å
488	R	27.3	Very low	30.7	Very low	232 Å²	232	155.8 Å²	155.8	88%	0.875	74%	0.74	S	S	*	*			trans	-86	84.1	176.9	-72.3	-174.5	175	-173.4	-1.2	109.5	T486 K490	T486-R488 PolarHBondContact O-N 3.28Å; T486-R488 VanDerWaalsContact O-N 3.14Å; R488-K490 PolarHBondContact O-N 3.48Å
489	Y	26.1	Very low	31.3	Very low	184 Å²	184	153.8 Å²	153.8	72%	0.722	75%	0.746	S	S	*	*			trans	-51.3	124	160.1	-77.4	-91.2	0	0	0	108.9	E487	E487-Y489 HydrophobicContact CB-CE2 4.44Å; E487-Y489 PolarHBondContact O-N 3.36Å
490	K	29.1	Very low	31.6	Very low	194 Å²	194	156.2 Å²	156.2	84%	0.843	74%	0.743	S	S	*	*			trans	-110.6	90.9	-175.4	-170.2	-176.7	-178.2	-171.6	0	107.6	R488 S492	R488-K490 PolarHBondContact O-N 3.48Å; K490-S492 PolarHBondContact O-N 2.68Å
491	C	28.3	Very low	32	Very low	65 Å²	65	152.7 Å²	152.7	44%	0.439	74%	0.735	S	S	.	*			trans	-50.7	129.9	179.4	-55.7	0	0	0	0	109.8	E493	C491-E493 PolarHBondContact O-N 3.48Å
492	S	32.7	Very low	32.3	Very low	119 Å²	119	146.1 Å²	146.1	83%	0.832	72%	0.723	S	S	*	*	S	Bend	trans	-69.3	-17	-166.8	47.7	0	0	0	0	114.1	K490	K490-S492 PolarHBondContact O-N 2.68Å
493	E	29.9	Very low	32.7	Very low	115 Å²	115	150.2 Å²	150.2	54%	0.537	73%	0.729	S	S	.	*			trans	-129.9	85.5	-178.9	-66.9	176.6	-141.8	0	0	110.3	C491 Y495 K745	C491-E493 PolarHBondContact O-N 3.48Å; E493-Y495 PolarHBondContact O-N 2.84Å; E493-K745 IonicContact OE1-NZ 2.79Å
494	V	31.8	Very low	32.9	Very low	106 Å²	106	148.6 Å²	148.6	64%	0.642	73%	0.729	S	S	*	*			trans	-78.9	102.4	167.9	177.9	0	0	0	0	108.6	N496	V494-N496 PolarHBondContact O-N 3.5Å
495	Y	30.6	Very low	33.3	Very low	177 Å²	177	150.8 Å²	150.8	69%	0.694	73%	0.733	S	S	*	*			trans	-64.7	98.5	170.2	-93.7	-99.4	0	0	0	110.3	E493 W497	E493-Y495 PolarHBondContact O-N 2.84Å; Y495-W497 VanDerWaalsContact C-N 3.3Å; Y495-W497 PolarHBondContact O-N 3.13Å
496	N	33.3	Very low	33.6	Very low	151 Å²	151	155.4 Å²	155.4	81%	0.807	74%	0.742	S	S	*	*			trans	-69.2	86.4	170.8	-76.1	-39.5	0	0	0	109.8	V494	V494-N496 PolarHBondContact O-N 3.5Å
497	W	37.5	Very low	33.7	Very low	198 Å²	198	160.6 Å²	160.6	75%	0.75	75%	0.748	S	S	*	*			trans	-54	139	170.2	-73.7	89.3	0	0	0	110.4	Y495	Y495-W497 VanDerWaalsContact C-N 3.3Å; Y495-W497 PolarHBondContact O-N 3.13Å
498	P	36.4	Very low	33.8	Very low	71 Å²	71	163 Å²	163	46%	0.461	76%	0.756	S	S	.	*			trans	-58.9	131.5	176.4	24.9	-33.8	0	0	0	109.4	K500	P498-K500 CarbonylContact O-C 3.57Å; P498-K500 PolarHBondContact O-N 2.97Å
499	P	43.2	Very low	34.3	Very low	142 Å²	142	157.7 Å²	157.7	92%	0.922	75%	0.75	S	S	*	*	S	Bend	trans	-60	-4.3	-175.3	-28.1	35.7	0	0	0	116
500	K	37.2	Very low	34.6	Very low	180 Å²	180	155.3 Å²	155.3	78%	0.783	75%	0.75	S	S	*	*	S	Bend	trans	-134.9	127.3	166.7	-64.5	169.6	-174.9	167	0	105.9	P498	P498-K500 CarbonylContact O-C 3.57Å; P498-K500 PolarHBondContact O-N 2.97Å
501	F	37	Very low	34.7	Very low	171 Å²	171	151.3 Å²	151.3	75%	0.75	74%	0.743	S	S	*	*			trans	-47.6	139.4	164.6	-83.4	-90	0	0	0	109.2	K503	F501-K503 PolarHBondContact O-N 3.11Å
502	P	37.2	Very low	35	Very low	98 Å²	98	154.4 Å²	154.4	64%	0.636	76%	0.762	S	S	*	*			trans	-51.4	119	167.2	-23.5	33.5	0	0	0	107.8	L504	P502-L504 VanDerWaalsContact C-N 3.26Å; P502-L504 PolarHBondContact O-N 2.9Å
503	K	38.9	Very low	35.1	Very low	200 Å²	200	157.8 Å²	157.8	87%	0.87	76%	0.762	S	S	*	*			trans	-63.2	97.7	170.7	-77.9	-171.3	177.1	-175.5	0	106.2	F501 K505	F501-K503 PolarHBondContact O-N 3.11Å; K503-K505 PolarHBondContact O-N 3.33Å
504	L	35.7	Very low	35.1	Very low	165 Å²	165	160.5 Å²	160.5	86%	0.864	78%	0.775	S	S	*	*			trans	-50.7	105.6	170	-78	170.5	0	0	0	106.4	P502 R506	P502-L504 VanDerWaalsContact C-N 3.26Å; P502-L504 PolarHBondContact O-N 2.9Å; L504-R506 PolarHBondContact O-N 2.96Å
505	K	36.7	Very low	35	Very low	197 Å²	197	163.7 Å²	163.7	86%	0.857	79%	0.787	S	S	*	*			trans	-66.2	92.6	172.3	-75.5	-177.4	178.1	177.4	0	105.2	K503 R507	K503-K505 PolarHBondContact O-N 3.33Å; K505-R507 PolarHBondContact O-N 3.36Å
506	R	35.8	Very low	35	Very low	239 Å²	239	163.7 Å²	163.7	90%	0.902	79%	0.793	S	S	*	*			trans	-42.5	110.9	158.2	-89.1	-175.7	166	174.7	-5.4	105	L504 K508	L504-R506 PolarHBondContact O-N 2.96Å; R506-K508 PolarHBondContact O-N 3.35Å; R506-K508 VanDerWaalsContact O-N 3.09Å
507	R	34.6	Very low	34.7	Very low	224 Å²	224	163.1 Å²	163.1	85%	0.845	80%	0.795	S	S	*	*			trans	-54.9	123.6	173.3	-82.3	-176.2	167.4	-174.5	-3.9	104.9	K505 T509	K505-R507 PolarHBondContact O-N 3.36Å; R507-T509 PolarHBondContact O-N 3.21Å
508	K	31.6	Very low	34.2	Very low	195 Å²	195	158.1 Å²	158.1	85%	0.848	80%	0.796	S	S	*	*			trans	-71.2	72	168.6	-78.3	-169	174.1	-171.9	0	107.7	R506 N510	R506-K508 PolarHBondContact O-N 3.35Å; R506-K508 VanDerWaalsContact O-N 3.09Å; K508-N510 VanDerWaalsContact C-N 3.28Å; K508-N510 PolarHBondContact O-N 3.08Å
509	T	37.3	Very low	33.9	Very low	120 Å²	120	162.4 Å²	162.4	74%	0.736	81%	0.809	S	S	*	*			trans	-60.9	102.3	150.7	46.8	0	0	0	0	104.9	R507	R507-T509 PolarHBondContact O-N 3.21Å
510	N	31.1	Very low	33.1	Very low	135 Å²	135	161.8 Å²	161.8	72%	0.722	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-54.8	132	172.1	-67.3	-35.9	0	0	0	107.1	K508	K508-N510 VanDerWaalsContact C-N 3.28Å; K508-N510 PolarHBondContact O-N 3.08Å
511	P	32.1	Very low	32.5	Very low	109 Å²	109	161.8 Å²	161.8	71%	0.708	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-58.3	132.5	174.7	25.4	-33	0	0	0	108.1	K513	P511-K513 PolarHBondContact O-N 2.88Å
512	P	33.8	Very low	32	Very low	130 Å²	130	161.3 Å²	161.3	84%	0.844	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-53.8	125.4	169.5	-24.3	34.5	0	0	0	108.8	Q514	P512-Q514 PolarHBondContact O-N 2.75Å
513	K	36	Very low	31.4	Very low	190 Å²	190	163 Å²	163	83%	0.826	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-70.7	123.3	172.3	-70.7	-176.7	177	-176.9	0	107.9	P511	P511-K513 PolarHBondContact O-N 2.88Å
514	Q	30.5	Very low	30.9	Very low	172 Å²	172	161.1 Å²	161.1	80%	0.804	81%	0.81	S	S	*	*			trans	51.3	103.8	160.3	-61.5	168.4	-63.4	0	0	116.8	P512	P512-Q514 PolarHBondContact O-N 2.75Å
515	I	29.5	Very low	30.5	Very low	174 Å²	174	162 Å²	162	89%	0.892	81%	0.807	S	S	*	*			trans	-143	145.4	137.3	-90.7	122.6	0	0	0	106.8
516	H	29.3	Very low	29.9	Very low	177 Å²	177	161.5 Å²	161.5	82%	0.819	81%	0.808	S	S	*	*			trans	-82.6	161.1	-176.9	-85.7	-103.5	0	0	0	112.9
517	T	27.3	Very low	29.7	Very low	139 Å²	139	158.6 Å²	158.6	85%	0.853	81%	0.805	S	S	*	*			trans	-68.2	123.4	167.2	46.8	0	0	0	0	111.8
518	A	27.2	Very low	29.3	Very low	93 Å²	93	155.4 Å²	155.4	77%	0.769	80%	0.804	S	S	*	*			trans	-162.3	169.1	160.6	0	0	0	0	0	110.2
519	Q	29.8	Very low	29.3	Very low	160 Å²	160	155.6 Å²	155.6	75%	0.748	80%	0.804	S	S	*	*			trans	-56.2	150.2	-175.7	-91.2	82	-21.2	0	0	117.3
520	D	26.8	Very low	29	Very low	129 Å²	129	156 Å²	156	69%	0.69	81%	0.807	S	S	*	*			trans	54.7	125	134.9	-49.8	-25.8	0	0	0	122.2
521	H	24.8	Very low	28.8	Very low	180 Å²	180	155 Å²	155	83%	0.833	81%	0.811	S	S	*	*			trans	59.3	131.5	167.9	-55.5	-76.3	0	0	0	118.6
522	I	26.6	Very low	28.7	Very low	162 Å²	162	154.5 Å²	154.5	83%	0.831	82%	0.816	S	S	*	*				-179.6	143.2	126.3	-95.4	156.7	0	0	0	111.4
523	V	24	Very low	28.4	Very low	133 Å²	133	155.8 Å²	155.8	81%	0.806	81%	0.81	S	S	*	*			trans	-71.1	139	177.6	177.6	0	0	0	0	111.7
524	I	27.8	Very low	28.2	Very low	160 Å²	160	153.8 Å²	153.8	82%	0.821	81%	0.808	S	S	*	*			trans	-117.3	132.8	170.3	-61	-176.4	0	0	0	110.8
525	K	28.2	Very low	28.2	Very low	183 Å²	183	150.6 Å²	150.6	80%	0.796	80%	0.797	S	S	*	*			trans	-76.9	143	-162.5	-59.8	177.3	-179.6	-179.4	0	113.9	Q527	K525-Q527 PolarHBondContact O-N 3.45Å
526	Q	24	Very low	28.5	Very low	188 Å²	188	150.7 Å²	150.7	88%	0.879	79%	0.793	S	S	*	*			trans	-64.4	115.3	165.6	-171.5	179.9	60.5	0	0	109.7	L528	Q526-L528 PolarHBondContact O-N 3.37Å
527	Q	31.9	Very low	28.6	Very low	178 Å²	178	147.2 Å²	147.2	83%	0.832	79%	0.789	S	S	*	*			trans	-91.4	99.6	174.8	-73.1	-167.2	1	0	0	110.9	K525	K525-Q527 PolarHBondContact O-N 3.45Å
528	L	25.9	Very low	28.6	Very low	157 Å²	157	146.4 Å²	146.4	82%	0.822	79%	0.789	S	S	*	*			trans	-57.3	138.3	153	-80.6	157.9	0	0	0	109.1	Q526	Q526-L528 PolarHBondContact O-N 3.37Å
529	K	31.8	Very low	28.9	Very low	199 Å²	199	147.8 Å²	147.8	87%	0.865	79%	0.79	S	S	*	*			trans	-134.4	100.4	165.6	-153.2	167.1	-169.7	174.1	0	109.4
530	T	30.6	Very low	28.9	Very low	128 Å²	128	146.4 Å²	146.4	79%	0.785	79%	0.792	S	S	*	*			trans	-65.4	156.2	179.3	35.3	0	0	0	0	112
531	S	26.5	Very low	28.9	Very low	115 Å²	115	147.5 Å²	147.5	80%	0.804	79%	0.793	S	S	*	*			trans	-64.2	150.5	169	45.5	0	0	0	0	112
532	A	30.9	Very low	29.2	Very low	98 Å²	98	147.1 Å²	147.1	81%	0.81	79%	0.791	S	S	*	*			trans	-126.5	138	159.2	0	0	0	0	0	107.8
533	E	28	Very low	29.2	Very low	157 Å²	157	144.6 Å²	144.6	73%	0.734	78%	0.784	S	S	*	*			trans	-84.6	160.4	-168.7	-59.3	136.5	121.1	0	0	113.2
534	N	31.9	Very low	29.4	Very low	147 Å²	147	146.4 Å²	146.4	79%	0.786	78%	0.784	S	S	*	*				-160.3	110.3	124.8	-92.1	-49.2	0	0	0	107.4
535	N	30.2	Very low	29.3	Very low	106 Å²	106	143.2 Å²	143.2	57%	0.567	78%	0.775	S	S	*	*				64.8	100.5	82.3	-68.5	-45.1	0	0	0	112.6
536	H	34.1	Very low	29.3	Very low	176 Å²	176	141.6 Å²	141.6	82%	0.815	78%	0.775	S	S	*	*				177.9	141.8	104.3	-90.1	-64.5	0	0	0	113.5
537	S	32.7	Very low	29.5	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	76%	0.763	S	S	*	*			trans	63.8	85	147.2	-54.4	0	0	0	0	120.9
538	S	26.1	Very low	29.4	Very low	122 Å²	122	138.7 Å²	138.7	85%	0.853	77%	0.769	S	S	*	*				37.5	153.1	116.2	-56.3	0	0	0	0	123.6
539	P	34.1	Very low	29.4	Very low	121 Å²	121	137.7 Å²	137.7	79%	0.786	76%	0.76	S	S	*	*			trans	-105.7	173.1	-160.8	42.1	-36.8	0	0	0	115.6
540	V	30	Very low	29.2	Very low	131 Å²	131	136.8 Å²	136.8	79%	0.794	76%	0.763	S	S	*	*			trans	-164.9	161.2	138.9	130.8	0	0	0	0	112
541	Q	26.6	Very low	28.9	Very low	152 Å²	152	137.5 Å²	137.5	71%	0.71	76%	0.757	S	S	*	*			trans	-41.1	144.6	179.7	-56.3	142.6	-21.7	0	0	116.6
542	H	31.3	Very low	28.9	Very low	172 Å²	172	137.3 Å²	137.3	80%	0.796	76%	0.755	S	S	*	*				-174.5	-175.4	102.2	-107.4	-66.9	0	0	0	114.9
543	T	26.4	Very low	28.6	Very low	110 Å²	110	139.4 Å²	139.4	68%	0.675	75%	0.751	S	S	*	*			trans	-106.5	169.2	-155.9	-15.3	0	0	0	0	114.5
544	Q	28.1	Very low	28.5	Very low	171 Å²	171	140.8 Å²	140.8	80%	0.799	75%	0.754	S	S	*	*			trans	76.8	106.7	153.5	-76.7	170.2	-43.8	0	0	121.1
545	S	25.2	Very low	28.3	Very low	92 Å²	92	139.8 Å²	139.8	64%	0.643	75%	0.753	S	S	*	*				30.2	120.8	127.4	59.6	0	0	0	0	121.6
546	N	29.2	Very low	28.1	Very low	150 Å²	150	139.7 Å²	139.7	80%	0.802	75%	0.753	S	S	*	*				-164.2	129.4	113.9	-89.7	-39.9	0	0	0	108.7
547	T	27.6	Very low	27.8	Very low	102 Å²	102	138.2 Å²	138.2	63%	0.626	75%	0.751	S	S	*	*				75.9	98	63.5	-49.5	0	0	0	0	113.3
548	E	29.7	Very low	27.4	Very low	203 Å²	203	141 Å²	141	95%	0.949	75%	0.752	S	S	*	*			trans	-124.5	136.5	147.5	-75.2	-158.7	141.3	0	0	109.4
549	Q	26.7	Very low	27.5	Very low	136 Å²	136	145 Å²	145	64%	0.636	75%	0.75	S	S	*	*			trans	-104.6	147.1	177.1	-64.3	-179.3	-1.1	0	0	109.9	Q551	Q549-Q551 HydrophobicContact CB-CG 4.48Å
550	I	27	Very low	27.2	Very low	179 Å²	179	147.8 Å²	147.8	92%	0.918	75%	0.753	S	S	*	*			trans	-117.2	107.3	149.6	-61.8	-177.3	0	0	0	107.5
551	Q	25	Very low	27.1	Very low	143 Å²	143	146.7 Å²	146.7	67%	0.668	75%	0.751	S	S	*	*			trans	-80.6	151.2	174.4	-61.8	179.5	-0.5	0	0	110.9	Q549	Q549-Q551 HydrophobicContact CB-CG 4.48Å
552	C	25.1	Very low	27.4	Very low	112 Å²	112	145.4 Å²	145.4	76%	0.757	76%	0.756	S	S	*	*			trans	156.6	141.7	133.3	-82.3	0	0	0	0	110.4
553	I	26.5	Very low	27.2	Very low	142 Å²	142	144.7 Å²	144.7	73%	0.728	76%	0.758	S	S	*	*			cis	-144.2	144.1	-15	-102.8	155.1	0	0	0	105.8	V555	I553-V555 HydrophobicContact CG2-CG2 3.99Å
554	K	24.5	Very low	27.3	Very low	186 Å²	186	142.6 Å²	142.6	81%	0.809	76%	0.758	S	S	*	*			trans	-93.4	131.1	177.3	-172.8	179.7	-177.8	-179.5	0	109.9
555	V	27.6	Very low	27.4	Very low	126 Å²	126	143.7 Å²	143.7	76%	0.764	76%	0.76	S	S	*	*			trans	-125.8	121.3	171.9	-176.9	0	0	0	0	109.1	I553	I553-V555 HydrophobicContact CG2-CG2 3.99Å
556	N	26	Very low	27.5	Very low	104 Å²	104	149.6 Å²	149.6	56%	0.556	77%	0.768	S	S	*	*			trans	-81	159.8	172.9	-97.1	8.3	0	0	0	111.1
557	N	28.9	Very low	27.5	Very low	144 Å²	144	149.5 Å²	149.5	77%	0.77	76%	0.763	S	S	*	*			trans	167.7	98.5	144.7	-84.3	-10	0	0	0	104.9
558	Q	24.3	Very low	27.6	Very low	163 Å²	163	152 Å²	152	76%	0.762	77%	0.772	S	S	*	*				55.8	75.1	51.4	-100.2	-167.8	-12.6	0	0	113.7
559	Y	27.8	Very low	27.4	Very low	205 Å²	205	146.7 Å²	146.7	80%	0.804	76%	0.757	S	S	*	*			trans	-145	103.5	141.8	-86.3	-77.4	0	0	0	105.5
560	Q	27.7	Very low	27.6	Very low	181 Å²	181	145.5 Å²	145.5	85%	0.846	76%	0.759	S	S	*	*				59.9	120.5	86.1	-76.4	-170.2	-21.4	0	0	113.9
561	S	28.6	Very low	27.5	Very low	108 Å²	108	138.5 Å²	138.5	76%	0.755	73%	0.726	S	S	*	*			trans	-125	130.1	175	173.3	0	0	0	0	109.7
562	P	32	Very low	27.9	Very low	124 Å²	124	135.9 Å²	135.9	81%	0.805	72%	0.721	S	S	*	*			trans	-91.3	113.7	162.7	32.7	-25.4	0	0	0	109
563	N	27.9	Very low	28	Very low	158 Å²	158	135.8 Å²	135.8	85%	0.845	71%	0.71	S	S	*	*			cis	86.4	101.4	35.7	-160.4	13.8	0	0	0	114.4
564	G	28.2	Very low	27.9	Very low	66 Å²	66	134.3 Å²	134.3	68%	0.68	71%	0.709	S	S	*	*			trans	93.7	145.8	169.4	0	0	0	0	0	115.3
565	K	30.9	Very low	28	Very low	194 Å²	194	134.5 Å²	134.5	84%	0.843	71%	0.713	S	S	*	*			cis	-143.8	143.7	-2.9	-66.8	178.4	-174.8	166.9	0	107.8
566	R	26.7	Very low	27.9	Very low	216 Å²	216	134.9 Å²	134.9	82%	0.815	72%	0.715	S	S	*	*				52.6	123.2	104.1	-136.1	-155.4	-83.3	177	-9.5	111.9
567	E	29.2	Very low	28	Very low	148 Å²	148	136.6 Å²	136.6	69%	0.692	73%	0.73	S	S	*	*				-146.7	170.3	50.3	-83.8	168.6	174.7	0	0	116.8
568	L	28.7	Very low	27.9	Very low	155 Å²	155	133.8 Å²	133.8	81%	0.812	72%	0.721	S	S	*	*			trans	2.8	146.5	148.8	-61.2	153.9	0	0	0	118
569	S	26.3	Very low	27.9	Very low	90 Å²	90	133.9 Å²	133.9	63%	0.629	73%	0.726	S	S	*	*			cis	-176.7	-179.4	-1.1	43.1	0	0	0	0	108.7
570	V	30.2	Very low	27.8	Very low	112 Å²	112	131 Å²	131	68%	0.679	72%	0.72	S	S	*	*			trans	78.8	98.2	167.1	-171.9	0	0	0	0	115.8	E198	E198-V570 PolarHBondContact OE2-N 3.36Å
571	S	26.5	Very low	28	Very low	32 Å²	32	127.3 Å²	127.3	22%	0.224	71%	0.714	C	S	.	*				54.9	122	114.3	-149.5	0	0	0	0	121	H196 E197	H196-S571 VanDerWaalsContact CB-OG 3.22Å; H196-S571 WeakPolarHBondContact CB-OG 3.2Å; H196-S571 VanDerWaalsContact CG-OG 3.29Å; H196-S571 PolarHBondContact ND1-OG 2.91Å; E197-S571 WeakPolarHBondContact CB-OG 3.34Å
572	P	33.4	Very low	27.9	Very low	88 Å²	88	127.8 Å²	127.8	57%	0.571	71%	0.707	S	S	*	*			trans	-68.3	-139.3	-179	-23.3	32.8	0	0	0	122.1	H196 E197	H196-P572 VanDerWaalsContact CE1-CB 3.43Å; H196-P572 WeakPolarHBondContact CE1-CB 3.45Å; H196-P572 WeakPolarHBondContact CE1-CD 3.37Å; H196-P572 WeakPolarHBondContact ND1-CD 3.47Å; E197-P572 WeakPolarHBondContact OE1-CD 3.47Å; E197-P572 WeakPolarHBondContact OE2-CD 3.43Å
573	E	25.7	Very low	27.6	Very low	110 Å²	110	126.4 Å²	126.4	51%	0.514	69%	0.69	S	S	.	*			trans	77	144.4	-158.5	-94.1	-157.5	108.5	0	0	118	T194 A195 H196	T194-E573 WeakPolarHBondContact CG2-OE2 3.49Å; A195-E573 WeakPolarHBondContact CA-OE2 3.35Å; A195-E573 WeakPolarHBondContact CB-OE2 3.31Å; H196-E573 PolarHBondContact NE2-N 3.27Å; H196-E573 VanDerWaalsContact NE2-N 3.19Å
574	P	26	Very low	27.6	Very low	110 Å²	110	126.4 Å²	126.4	71%	0.714	68%	0.678	S	S	*	*			trans	-108.9	118.1	-151.4	38	-30.2	0	0	0	114.4
575	Q	26.2	Very low	27.5	Very low	191 Å²	191	127.2 Å²	127.2	89%	0.893	67%	0.673	S	S	*	*			trans	-92.8	118.5	176.8	-65.4	-163.3	2.6	0	0	113.6
576	V	24.4	Very low	27.2	Very low	133 Å²	133	122.6 Å²	122.6	81%	0.806	66%	0.661	S	S	*	*			trans	-72.1	134	168.9	176.1	0	0	0	0	110
577	T	27.8	Very low	27.2	Very low	141 Å²	141	119.8 Å²	119.8	87%	0.865	66%	0.662	S	S	*	*			trans	-131.2	141.2	157.7	40.5	0	0	0	0	110.8
578	S	26.7	Very low	27.1	Very low	84 Å²	84	120.9 Å²	120.9	59%	0.587	67%	0.672	S	S	*	*			trans	-138.4	149.7	-171.5	60.3	0	0	0	0	110.3
579	L	25.1	Very low	27	Very low	166 Å²	166	119.8 Å²	119.8	87%	0.869	66%	0.662	S	S	*	*			trans	-175.8	150.8	159.4	-89.5	136.4	0	0	0	108
580	H	26.5	Very low	27	Very low	144 Å²	144	123.6 Å²	123.6	67%	0.667	67%	0.668	S	S	*	*			cis	-169.4	-172.6	-26.8	-136.5	-119.7	0	0	0	110.1
581	S	30.7	Very low	26.8	Very low	103 Å²	103	123.1 Å²	123.1	72%	0.72	67%	0.669	S	S	*	*			trans	78.4	127.1	175.5	71.9	0	0	0	0	117.3
582	L	26.7	Very low	26.7	Very low	118 Å²	118	128 Å²	128	62%	0.618	69%	0.693	S	S	*	*			cis	89.4	138.9	15.4	-64.1	73.1	0	0	0	116.1
583	Q	26.9	Very low	26.4	Very low	95 Å²	95	134.5 Å²	134.5	44%	0.444	71%	0.706	S	S	.	*			cis	-176.6	138.6	-8	-107.7	-176.1	-13	0	0	113.5	F604	Q583-F604 HydrophobicContact CB-CD2 3.86Å; Q583-F604 HydrophobicContact CB-CE2 3.33Å; Q583-F604 HydrophobicContact CB-CZ 4.02Å; Q583-F604 HydrophobicContact CG-CD2 3.53Å; Q583-F604 HydrophobicContact CG-CE1 4.17Å; Q583-F604 HydrophobicContact CG-CE2 3.17Å; Q583-F604 HydrophobicContact CG-CG 4.31Å; Q583-F604 HydrophobicContact CG-CZ 3.52Å
584	R	26.4	Very low	26.4	Very low	159 Å²	159	135.1 Å²	135.1	60%	0.6	72%	0.717	S	S	*	*			trans	-157.2	171.8	151.7	-99.3	130.7	-149	-88.7	-1.8	117.6	Q602 L603 F604	R584-Q602 HydrophobicContact CB-CB 4.02Å; R584-Q602 WeakPolarHBondContact CB-O 3.2Å; R584-L603 CarbonylContact O-C 3.59Å; R584-L603 WeakPolarHBondContact O-CA 3.43Å; R584-F604 VanDerWaalsContact N-CE2 3.26Å; R584-F604 WeakPolarHBondContact O-CD2 3.29Å; R584-F604 WeakPolarHBondContact O-CE2 3.39Å; R584-F604 WeakPolarHBondContact O-CG 3.32Å; R584-F604 PolarHBondContact O-N 2.85Å
585	S	25.6	Very low	26.6	Very low	82 Å²	82	135.5 Å²	135.5	57%	0.573	72%	0.722	S	S	*	*			trans	-115.7	-101.6	-133.2	53.8	0	0	0	0	121	L603	S585-L603 WeakPolarHBondContact O-CD2 3.28Å
586	T	26.2	Very low	26.6	Very low	97 Å²	97	130.1 Å²	130.1	60%	0.595	72%	0.718	S	S	*	*			trans	-7.4	130.1	-171.4	53.9	0	0	0	0	121.6
587	L	25.6	Very low	26.8	Very low	157 Å²	157	129.7 Å²	129.7	82%	0.822	72%	0.716	S	S	*	*				65.3	121.2	56.1	-76.1	163.7	0	0	0	116.3
588	L	27.4	Very low	26.9	Very low	172 Å²	172	131 Å²	131	90%	0.901	71%	0.713	S	S	*	*			trans	-156.2	107.8	143.2	-124.3	171.3	0	0	0	110.6
589	E	27.1	Very low	27	Very low	131 Å²	131	133 Å²	133	61%	0.612	72%	0.722	S	S	*	*			trans	-76.6	158.2	168.7	-102.9	-165.9	113	0	0	111.8
590	K	26.2	Very low	27.1	Very low	171 Å²	171	134 Å²	134	74%	0.743	71%	0.714	S	S	*	*	S	Bend	trans	15	115.9	145.9	-57.7	165.9	-173.1	151.6	0	117.8
591	S	25.6	Very low	27.1	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	71%	0.711	S	S	*	*			trans	74.5	137.8	136.5	-155.6	0	0	0	0	119.8
592	N	25.1	Very low	27	Very low	136 Å²	136	133.3 Å²	133.3	73%	0.727	70%	0.703	S	S	*	*			trans	63.6	109.9	154.4	-73	-29.9	0	0	0	121
593	R	25.8	Very low	27.1	Very low	223 Å²	223	133 Å²	133	84%	0.842	70%	0.701	S	S	*	*			trans	85.3	137.4	137.5	-62.5	176.9	175.1	-175.7	-2.3	120.6
594	T	27.2	Very low	27.2	Very low	123 Å²	123	133.2 Å²	133.2	76%	0.755	70%	0.701	S	S	*	*			trans	63.1	97	145.9	47.2	0	0	0	0	120.9
595	S	28.2	Very low	27.2	Very low	118 Å²	118	133.5 Å²	133.5	83%	0.825	71%	0.713	S	S	*	*				48.8	112.6	124.8	60.6	0	0	0	0	120.4
596	G	27.8	Very low	27.3	Very low	78 Å²	78	132.7 Å²	132.7	80%	0.804	71%	0.711	S	S	*	*			trans	-171.9	148.5	161.4	0	0	0	0	0	112
597	T	28.8	Very low	27.4	Very low	125 Å²	125	134.9 Å²	134.9	77%	0.767	72%	0.719	S	S	*	*			trans	-65.1	165.8	163.4	47.8	0	0	0	0	109.9
598	E	28.2	Very low	27.5	Very low	169 Å²	169	138.8 Å²	138.8	79%	0.79	73%	0.725	S	S	*	*			cis	-160.8	-153.5	35.4	-144.8	138.1	-99.4	0	0	113.8
599	T	29.3	Very low	27.6	Very low	126 Å²	126	139.8 Å²	139.8	77%	0.773	72%	0.721	S	S	*	*			trans	-78.8	135.1	-158.7	49	0	0	0	0	118.7
600	R	27.1	Very low	27.6	Very low	187 Å²	187	141.9 Å²	141.9	71%	0.706	74%	0.736	S	S	*	*			trans	19.1	141.1	134.8	177.9	168.2	170.1	-179.1	-10.5	121.8	E467	E467-R600 IonicContact OE1-NH2 3.42Å
601	D	28	Very low	27.9	Very low	114 Å²	114	138.1 Å²	138.1	61%	0.61	74%	0.737	S	S	*	*			trans	94.1	143.9	161.8	-68.1	-24.2	0	0	0	120.2
602	Q	27.4	Very low	28.1	Very low	117 Å²	117	138.7 Å²	138.7	55%	0.547	74%	0.738	S	S	.	*			trans	61.3	108.3	-173.8	-56.7	-178.9	43.4	0	0	117.3	R584	R584-Q602 HydrophobicContact CB-CB 4.02Å; R584-Q602 WeakPolarHBondContact CB-O 3.2Å
603	L	28.4	Very low	28.2	Very low	112 Å²	112	139 Å²	139	59%	0.586	74%	0.74	S	S	*	*			trans	-139.1	159.7	154.9	-63	90.5	0	0	0	112.8	R584 S585	R584-L603 CarbonylContact O-C 3.59Å; R584-L603 WeakPolarHBondContact O-CA 3.43Å; S585-L603 WeakPolarHBondContact O-CD2 3.28Å
604	F	28.8	Very low	28.5	Very low	99 Å²	99	136.4 Å²	136.4	43%	0.434	74%	0.743	S	S	.	*			trans	-67.2	159.9	-147.7	-100.4	-155.8	0	0	0	122.6	Q583 R584 A606	Q583-F604 HydrophobicContact CB-CD2 3.86Å; Q583-F604 HydrophobicContact CB-CE2 3.33Å; Q583-F604 HydrophobicContact CB-CZ 4.02Å; Q583-F604 HydrophobicContact CG-CD2 3.53Å; Q583-F604 HydrophobicContact CG-CE1 4.17Å; Q583-F604 HydrophobicContact CG-CE2 3.17Å; Q583-F604 HydrophobicContact CG-CG 4.31Å; Q583-F604 HydrophobicContact CG-CZ 3.52Å; R584-F604 VanDerWaalsContact N-CE2 3.26Å; R584-F604 WeakPolarHBondContact O-CD2 3.29Å; R584-F604 WeakPolarHBondContact O-CE2 3.39Å; R584-F604 WeakPolarHBondContact O-CG 3.32Å; R584-F604 PolarHBondContact O-N 2.85Å; F604-A606 HydrophobicContact CD1-CB 4Å
605	I	28.1	Very low	28.4	Very low	165 Å²	165	139 Å²	139	85%	0.846	75%	0.747	S	S	*	*			trans	-103.2	136.4	142.9	-62.6	168.3	0	0	0	108.1
606	A	28.1	Very low	28.4	Very low	65 Å²	65	141.8 Å²	141.8	54%	0.537	75%	0.75	S	S	.	*			trans	-171.6	151.4	168.3	0	0	0	0	0	108.6	F604	F604-A606 HydrophobicContact CD1-CB 4Å
607	D	27.9	Very low	28.4	Very low	143 Å²	143	141.5 Å²	141.5	77%	0.765	75%	0.748	S	S	*	*			cis	-155	144.3	-14.8	-96.8	-35.4	0	0	0	108.3
608	Y	28.1	Very low	28.2	Very low	240 Å²	240	140.6 Å²	140.6	94%	0.941	75%	0.746	S	S	*	*			trans	-166.1	89.4	154.5	-105.4	-67.3	0	0	0	110.3
609	K	28.3	Very low	28.1	Very low	192 Å²	192	138.5 Å²	138.5	84%	0.835	75%	0.745	S	S	*	*			trans	-133	158.3	160.7	-97.7	-168.5	174.6	-174.8	0	109.4
610	L	27.7	Very low	28	Very low	175 Å²	175	142.2 Å²	142.2	92%	0.916	75%	0.751	S	S	*	*			trans	-64.3	142.7	-162.7	-67.2	72	0	0	0	113.6
611	A	31.7	Very low	28	Very low	93 Å²	93	138.6 Å²	138.6	77%	0.769	75%	0.751	S	S	*	*			trans	-117.9	136	148.1	0	0	0	0	0	108
612	P	30.9	Very low	27.9	Very low	113 Å²	113	140 Å²	140	73%	0.734	76%	0.759	S	S	*	*			trans	-86.2	176	-176.6	35.8	-36.7	0	0	0	112.9
613	N	27.4	Very low	27.9	Very low	143 Å²	143	140.1 Å²	140.1	77%	0.765	77%	0.772	S	S	*	*			trans	67.8	88.1	168.2	-55.5	-15.4	0	0	0	116.7
614	N	30.1	Very low	27.8	Very low	168 Å²	168	142.8 Å²	142.8	90%	0.898	79%	0.787	S	S	*	*				-163.9	158.5	103.6	-93	-31.1	0	0	0	111.9
615	Q	26.8	Very low	27.8	Very low	178 Å²	178	142 Å²	142	83%	0.832	80%	0.798	S	S	*	*			trans	-95.3	179.2	-171.7	-63.8	-179.6	-12.6	0	0	113.3
616	I	27.4	Very low	27.8	Very low	175 Å²	175	140.5 Å²	140.5	90%	0.897	79%	0.791	S	S	*	*			trans	82.7	126.8	166.1	-50	158.1	0	0	0	113.9
617	G	27	Very low	28.1	Very low	73 Å²	73	142.7 Å²	142.7	75%	0.753	80%	0.8	S	S	*	*			trans	-178.1	-41.6	175.6	0	0	0	0	0	120.1
618	S	26.1	Very low	28.3	Very low	105 Å²	105	139.7 Å²	139.7	73%	0.734	78%	0.778	S	S	*	*			trans	57.7	129.8	173.3	-162.7	0	0	0	0	120.4
619	T	26.3	Very low	28.5	Very low	125 Å²	125	131.6 Å²	131.6	77%	0.767	75%	0.748	S	S	*	*			trans	58.5	90.3	147.4	48.8	0	0	0	0	121.1
620	K	27.1	Very low	28.6	Very low	205 Å²	205	125.7 Å²	125.7	89%	0.891	74%	0.735	S	S	*	*				-174.9	145	114.7	-101.1	170.7	-176.9	179.1	0	110.7
621	P	26.5	Very low	28.9	Very low	111 Å²	111	125 Å²	125	72%	0.721	73%	0.725	S	S	*	*			trans	-80.2	149.2	-178.8	31.8	-34.5	0	0	0	113.9
622	D	26.8	Very low	29	Very low	143 Å²	143	122.2 Å²	122.2	77%	0.765	70%	0.696	S	S	*	*			trans	60.1	47.2	148.8	-52	-23.1	0	0	0	119.6	L624	D622-L624 VanDerWaalsContact C-N 3.26Å; D622-L624 PolarHBondContact O-N 3.47Å
623	S	25.6	Very low	29.2	Very low	119 Å²	119	122.3 Å²	122.3	83%	0.832	70%	0.695	S	S	*	*			trans	-74.6	71.8	157	174.6	0	0	0	0	111.9
624	L	27.7	Very low	29.5	Very low	169 Å²	169	122.5 Å²	122.5	89%	0.885	69%	0.691	S	S	*	*			trans	-108.3	70.3	173.7	-76.1	174.2	0	0	0	112	D622	D622-L624 VanDerWaalsContact C-N 3.26Å; D622-L624 PolarHBondContact O-N 3.47Å
625	A	27.8	Very low	29.6	Very low	81 Å²	81	118 Å²	118	67%	0.669	67%	0.667	S	S	*	*			trans	-109.9	137	176.4	0	0	0	0	0	112.1
626	L	28.7	Very low	29.9	Very low	134 Å²	134	118.6 Å²	118.6	70%	0.702	67%	0.667	S	S	*	*			trans	68.9	137.8	172.5	-64.6	161.5	0	0	0	114.8	F629	L626-F629 HydrophobicContact CD2-CD2 3.81Å
627	P	33.9	Very low	30	Very low	111 Å²	111	120.5 Å²	120.5	72%	0.721	66%	0.663	S	S	*	*				-143.1	66.9	65.2	39.9	-20.5	0	0	0	115.2
628	Y	33.1	Very low	30.1	Very low	81 Å²	81	122.7 Å²	122.7	32%	0.318	65%	0.652	S	S	.	*	S	Bend	trans	-71.7	-44.3	175	-161.8	-100.5	0	0	0	112.6	M632 Y755	Y628-M632 HydrophobicContact CD1-CE 4.46Å; Y628-M632 HydrophobicContact CE1-CE 3.79Å; Y628-Y755 AromaticContact CE2-CD1 3.98Å; Y628-Y755 HydrophobicContact CE2-CD1 3.98Å; Y628-Y755 AromaticContact CE2-CE1 3.94Å; Y628-Y755 HydrophobicContact CE2-CE1 3.94Å; Y628-Y755 AromaticContact CZ-CD1 3.95Å; Y628-Y755 AromaticContact CZ-CE1 3.68Å; Y628-Y755 VanDerWaalsContact OH-CD1 3.32Å; Y628-Y755 WeakPolarHBondContact OH-CD1 3.48Å; Y628-Y755 VanDerWaalsContact OH-CE1 3.28Å; Y628-Y755 WeakPolarHBondContact OH-CE1 3.32Å
629	F	31.6	Very low	30.1	Very low	69 Å²	69	121.8 Å²	121.8	30%	0.303	65%	0.645	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	-27.3	-166.6	-63.2	-76.6	0	0	0	115.5	L626 K631 M632 S662	L626-F629 HydrophobicContact CD2-CD2 3.81Å; F629-K631 PolarHBondContact O-N 2.84Å; F629-K631 VanDerWaalsContact O-N 3.16Å; F629-M632 PolarHBondContact O-N 3.37Å; F629-S662 WeakPolarHBondContact CE2-OG 3.46Å; F629-S662 VanDerWaalsContact CZ-CB 3.42Å; F629-S662 WeakPolarHBondContact CZ-OG 3.33Å
630	A	31.1	Very low	30	Very low	68 Å²	68	123.7 Å²	123.7	56%	0.562	64%	0.643	S	S	*	*	H	α-helix	trans	-61.6	-26.7	-177.5	0	0	0	0	0	113.3	T633	A630-T633 PolarHBondContact O-OG1 3.07Å
631	K	33.4	Very low	29.9	Very low	162 Å²	162	121.6 Å²	121.6	70%	0.704	63%	0.634	S	S	*	*	H	α-helix	trans	-88.8	-13.1	-175.9	-145.6	169.5	-171.6	172.6	0	114	F629	F629-K631 PolarHBondContact O-N 2.84Å; F629-K631 VanDerWaalsContact O-N 3.16Å
632	M	33.5	Very low	29.8	Very low	33 Å²	33	123 Å²	123	16%	0.163	63%	0.631	C	S	.	*	H	α-helix	trans	-81.1	-24.6	178.6	-76.1	-171.7	166.6	0	0	113.4	Y628 F629 N658 A660 Y755	Y628-M632 HydrophobicContact CD1-CE 4.46Å; Y628-M632 HydrophobicContact CE1-CE 3.79Å; F629-M632 PolarHBondContact O-N 3.37Å; M632-N658 PolarHBondContact O-ND2 2.94Å; M632-A660 HydrophobicContact CE-CB 3.94Å; M632-A660 HydrophobicContact SD-CB 3.46Å; M632-A660 WeakPolarHBondContact SD-CB 3.18Å; M632-Y755 HydrophobicContact CE-CE1 4.27Å
633	T	34.7	Very low	29.7	Very low	116 Å²	116	124.8 Å²	124.8	71%	0.712	63%	0.628	S	S	*	*	H	α-helix	trans	-83.2	-27.5	-178.7	49.6	0	0	0	0	113.3	A630	A630-T633 PolarHBondContact O-OG1 3.07Å
634	E	34.2	Very low	29.7	Very low	147 Å²	147	125.2 Å²	125.2	69%	0.687	62%	0.621	S	S	*	*	H	α-helix	trans	-79.5	-23.4	-179.4	-60.3	-171	135.8	0	0	113.5	K636	E634-K636 PolarHBondContact O-N 2.96Å
635	N	31.5	Very low	29.7	Very low	74 Å²	74	122.3 Å²	122.3	40%	0.396	61%	0.611	S	S	.	*			trans	-84.8	73.3	-167.2	-156	-9.6	0	0	0	112.6	R637	N635-R637 PolarHBondContact O-N 3.44Å
636	K	34.1	Very low	29.5	Very low	189 Å²	189	124.1 Å²	124.1	82%	0.822	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	14.6	-174.2	-66.2	173.8	-177.2	175	0	117	E634	E634-K636 PolarHBondContact O-N 2.96Å
637	R	30	Very low	29.7	Very low	215 Å²	215	123.5 Å²	123.5	81%	0.811	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-7	-179.4	-69.1	-171.3	176.3	-170.5	1.1	115	N635 S639	N635-R637 PolarHBondContact O-N 3.44Å; R637-S639 PolarHBondContact O-N 3.43Å
638	F	28.5	Very low	29.4	Very low	119 Å²	119	124.6 Å²	124.6	52%	0.522	62%	0.615	S	S	.	*			trans	-74.8	68.8	169.5	-76.1	-80.6	0	0	0	111.6	N773	F638-N773 HydrophobicContact CE1-CB 4.25Å; F638-N773 HydrophobicContact CE2-CB 4.46Å; F638-N773 VanDerWaalsContact CE2-ND2 3.31Å; F638-N773 WeakPolarHBondContact CE2-ND2 3.31Å; F638-N773 HydrophobicContact CZ-CB 3.69Å; F638-N773 VanDerWaalsContact CZ-ND2 3.27Å; F638-N773 WeakPolarHBondContact CZ-ND2 3.49Å
639	S	25.5	Very low	29.2	Very low	86 Å²	86	127.3 Å²	127.3	60%	0.601	64%	0.635	S	S	*	*			trans	-140.1	65.4	-174.8	48.8	0	0	0	0	113.3	R637	R637-S639 PolarHBondContact O-N 3.43Å
640	K	24	Very low	29.1	Very low	166 Å²	166	130.9 Å²	130.9	72%	0.722	66%	0.658	S	S	*	*			trans	172.9	97.4	141.8	-96.4	159.1	-177	174.8	0	114.1	H642	K640-H642 VanDerWaalsContact CE-NE2 3.34Å; K640-H642 WeakPolarHBondContact CE-NE2 3.32Å
641	F	25.1	Very low	28.8	Very low	161 Å²	161	134.6 Å²	134.6	71%	0.706	67%	0.673	S	S	*	*			trans	-117.6	101.9	138.5	-97.6	-85.9	0	0	0	107.3	Y643	F641-Y643 PolarHBondContact O-N 3.08Å; F641-Y643 VanDerWaalsContact O-N 3.14Å
642	H	24.5	Very low	28.6	Very low	139 Å²	139	131.7 Å²	131.7	64%	0.644	67%	0.673	S	S	*	*			trans	-84.1	81.9	-178.5	-82.2	-55.3	0	0	0	111.2	K640 N644	K640-H642 VanDerWaalsContact CE-NE2 3.34Å; K640-H642 WeakPolarHBondContact CE-NE2 3.32Å; H642-N644 PolarHBondContact O-N 3.36Å
643	Y	25.5	Very low	28.2	Very low	181 Å²	181	137.7 Å²	137.7	71%	0.71	71%	0.706	S	S	*	*			trans	-77.5	106	150.4	-79.6	-74	0	0	0	108.1	F641 T645	F641-Y643 PolarHBondContact O-N 3.08Å; F641-Y643 VanDerWaalsContact O-N 3.14Å; Y643-T645 PolarHBondContact O-N 3.24Å
644	N	24.3	Very low	27.9	Very low	129 Å²	129	137.7 Å²	137.7	69%	0.69	70%	0.702	S	S	*	*			trans	-78.1	71.5	180	-78.5	-7.4	0	0	0	111.2	H642 T646	H642-N644 PolarHBondContact O-N 3.36Å; N644-T646 PolarHBondContact O-N 3.31Å
645	T	27.6	Very low	27.9	Very low	108 Å²	108	138 Å²	138	66%	0.663	71%	0.708	S	S	*	*			trans	-75.4	79.1	168.9	-50.5	0	0	0	0	109.1	Y643 T647	Y643-T645 PolarHBondContact O-N 3.24Å; T645-T647 PolarHBondContact O-N 3.35Å; T645-T647 VanDerWaalsContact O-N 3.14Å
646	T	25.5	Very low	28	Very low	118 Å²	118	138.5 Å²	138.5	72%	0.724	71%	0.711	S	S	*	*			trans	-84.8	79	178.4	-48.7	0	0	0	0	110.9	N644	N644-T646 PolarHBondContact O-N 3.31Å
647	T	31.1	Very low	28	Very low	122 Å²	122	136.2 Å²	136.2	75%	0.748	71%	0.708	S	S	*	*			trans	-114.9	133.3	163.9	35.3	0	0	0	0	109.1	T645	T645-T647 PolarHBondContact O-N 3.35Å; T645-T647 VanDerWaalsContact O-N 3.14Å
648	N	28.3	Very low	28.1	Very low	134 Å²	134	129.6 Å²	129.6	72%	0.717	69%	0.688	S	S	*	*			trans	-90.2	159.5	-170	-82.9	-4.6	0	0	0	112.5
649	N	28.4	Very low	28.4	Very low	137 Å²	137	126.2 Å²	126.2	73%	0.733	68%	0.675	S	S	*	*			trans	62.1	98	160.1	-54.1	-7.5	0	0	0	114.8
650	N	29.4	Very low	29	Very low	145 Å²	145	124 Å²	124	78%	0.775	66%	0.662	S	S	*	*				-169.6	134.1	59.7	-82.9	-30.5	0	0	0	113.3	S652	N650-S652 PolarHBondContact O-N 3.08Å
651	T	25.7	Very low	29.8	Very low	145 Å²	145	117.6 Å²	117.6	89%	0.89	64%	0.637	S	S	*	*			trans	23.4	86.8	142.4	-37.2	0	0	0	0	120
652	S	28.3	Very low	30.5	Very low	101 Å²	101	110.9 Å²	110.9	71%	0.706	61%	0.61	S	S	*	*			trans	-155.2	149.9	147.6	-168.7	0	0	0	0	111.7	N650 N654	N650-S652 PolarHBondContact O-N 3.08Å; S652-N654 PolarHBondContact O-N 3.14Å
653	N	26.3	Very low	31.1	Very low	159 Å²	159	105.2 Å²	105.2	85%	0.85	59%	0.587	S	S	*	*			trans	-82.4	74.9	-173.5	-79.8	-32.3	0	0	0	112.7	N655	N653-N655 PolarHBondContact O-N 2.78Å
654	N	29	Very low	31.5	Very low	116 Å²	116	103.7 Å²	103.7	62%	0.62	59%	0.587	S	S	*	*			trans	-80.2	100.9	174.6	-82.9	-10.3	0	0	0	112.3	S652 N656	S652-N654 PolarHBondContact O-N 3.14Å; N654-N656 PolarHBondContact O-N 3.41Å
655	N	32.9	Very low	32.6	Very low	154 Å²	154	99 Å²	99	82%	0.824	56%	0.563	S	S	*	*			trans	-83	15.3	165.7	-81.6	-29.8	0	0	0	112.6	N653 N657	N653-N655 PolarHBondContact O-N 2.78Å; N655-N657 PolarHBondContact O-N 2.92Å
656	N	34.1	Very low	33.5	Very low	84 Å²	84	95.5 Å²	95.5	45%	0.449	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	24.1	-158.7	-57.1	7.7	0	0	0	114.8	N654 N658 I659	N654-N656 PolarHBondContact O-N 3.41Å; N656-N658 VanDerWaalsContact C-N 3.34Å; N656-N658 PolarHBondContact O-N 2.92Å; N656-I659 WeakPolarHBondContact O-CG1 3.39Å
657	N	33.1	Very low	34.4	Very low	142 Å²	142	95.7 Å²	95.7	76%	0.759	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-6.4	-173.9	-68.5	-10.9	0	0	0	114.4	N655	N655-N657 PolarHBondContact O-N 2.92Å
658	N	32.3	Very low	35.2	Very low	75 Å²	75	92.4 Å²	92.4	40%	0.401	51%	0.508	S	S	.	.			trans	-121.1	62.4	180	-71.3	9.2	0	0	0	111.3	M632 N656 A660	M632-N658 PolarHBondContact O-ND2 2.94Å; N656-N658 VanDerWaalsContact C-N 3.34Å; N656-N658 PolarHBondContact O-N 2.92Å; N658-A660 PolarHBondContact O-N 3.39Å; N658-A660 VanDerWaalsContact O-N 3.09Å
659	I	35	Very low	36.5	Very low	49 Å²	49	91.5 Å²	91.5	25%	0.251	50%	0.5	S	S	.	.			trans	-82.9	83.1	175.5	-58.1	177.9	0	0	0	109.9	N656 T676 D679 A680 I683	N656-I659 WeakPolarHBondContact O-CG1 3.39Å; I659-T676 HydrophobicContact CG2-CG2 3.6Å; I659-D679 HydrophobicContact CD1-CB 3.58Å; I659-A680 HydrophobicContact CG2-CB 4.26Å; I659-I683 HydrophobicContact CB-CD1 4.3Å; I659-I683 HydrophobicContact CD1-CD1 4.17Å; I659-I683 HydrophobicContact CG1-CD1 4.44Å
660	A	38	Very low	38.1	Very low	40 Å²	40	86.9 Å²	86.9	33%	0.331	48%	0.478	S	S	.	.			trans	-82.8	117	162.6	0	0	0	0	0	109.1	M632 N658 S662	M632-A660 HydrophobicContact CE-CB 3.94Å; M632-A660 HydrophobicContact SD-CB 3.46Å; M632-A660 WeakPolarHBondContact SD-CB 3.18Å; N658-A660 PolarHBondContact O-N 3.39Å; N658-A660 VanDerWaalsContact O-N 3.09Å; A660-S662 PolarHBondContact O-N 2.88Å
661	V	41.1	Very low	39.7	Very low	30 Å²	30	85 Å²	85	18%	0.182	47%	0.474	C	S	.	.			trans	-70.6	113.9	-179.5	170	0	0	0	0	110.1	V665 M666 T676 A680 L840	V661-V665 HydrophobicContact CG1-CB 4.11Å; V661-V665 HydrophobicContact CG1-CG1 3.71Å; V661-M666 HydrophobicContact CG1-CG 3.88Å; V661-T676 HydrophobicContact CG2-CG2 4.41Å; V661-A680 HydrophobicContact CG2-CB 3.52Å; V661-L840 HydrophobicContact CB-CD1 3.59Å; V661-L840 HydrophobicContact CG1-CD1 3.94Å; V661-L840 HydrophobicContact CG2-CD1 3.53Å
662	S	39.5	Very low	41.7	Very low	21 Å²	21	86.2 Å²	86.2	15%	0.147	47%	0.467	C	S	.	.			trans	-66.9	151	177.7	176	0	0	0	0	112.3	F629 A660 E664 V665 M666	F629-S662 WeakPolarHBondContact CE2-OG 3.46Å; F629-S662 VanDerWaalsContact CZ-CB 3.42Å; F629-S662 WeakPolarHBondContact CZ-OG 3.33Å; A660-S662 PolarHBondContact O-N 2.88Å; S662-E664 PolarHBondContact O-N 3.21Å; S662-E664 PolarHBondContact OG-N 3.46Å; S662-E664 VanDerWaalsContact OG-N 3.12Å; S662-V665 CarbonylContact O-C 3.43Å; S662-V665 WeakPolarHBondContact O-CA 3.48Å; S662-V665 WeakPolarHBondContact O-CB 3.35Å; S662-V665 PolarHBondContact O-N 2.82Å; S662-M666 PolarHBondContact O-N 3.34Å
663	A	38.5	Very low	43.4	Very low	20 Å²	20	81.6 Å²	81.6	17%	0.165	44%	0.435	C	S	.	.	H	α-helix	trans	-61.4	-23.3	168.7	0	0	0	0	0	113.2	M666 R667 D759	A663-M666 HydrophobicContact CB-CE 3.81Å; A663-R667 WeakPolarHBondContact O-CG 3.35Å; A663-R667 PolarHBondContact O-N 2.86Å; A663-R667 PolarHBondContact O-NH1 3.45Å; A663-D759 HydrophobicContact CB-CB 3.61Å; A663-D759 VanDerWaalsContact CB-CG 3.46Å; A663-D759 WeakPolarHBondContact CB-OD2 3.45Å
664	E	33.4	Very low	45.4	Very low	149 Å²	149	74.9 Å²	74.9	70%	0.696	40%	0.4	S	S	*	.	H	α-helix	trans	-73	-33.5	169.6	-167.2	170.4	-162.5	0	0	111.5	S662 S668	S662-E664 PolarHBondContact O-N 3.21Å; S662-E664 PolarHBondContact OG-N 3.46Å; S662-E664 VanDerWaalsContact OG-N 3.12Å; E664-S668 WeakPolarHBondContact O-CB 3.21Å; E664-S668 PolarHBondContact O-N 2.77Å
665	V	47.9	Very low	47.4	Very low	31 Å²	31	72.3 Å²	72.3	19%	0.188	39%	0.389	C	S	.	.	H	α-helix	trans	-71.2	-36	170.7	167.9	0	0	0	0	111.5	V661 S662 R667 S673 T676	V661-V665 HydrophobicContact CG1-CB 4.11Å; V661-V665 HydrophobicContact CG1-CG1 3.71Å; S662-V665 CarbonylContact O-C 3.43Å; S662-V665 WeakPolarHBondContact O-CA 3.48Å; S662-V665 WeakPolarHBondContact O-CB 3.35Å; S662-V665 PolarHBondContact O-N 2.82Å; V665-R667 VanDerWaalsContact C-N 3.32Å; V665-R667 PolarHBondContact O-N 3.32Å; V665-S673 WeakPolarHBondContact O-CB 3.49Å; V665-T676 HydrophobicContact CG1-CG2 4.12Å; V665-T676 HydrophobicContact CG2-CG2 4.39Å
666	M	46	Very low	49.2	Very low	33 Å²	33	66.8 Å²	66.8	16%	0.163	36%	0.361	C	S	.	.	H	α-helix	trans	-65.1	-32.9	175.5	-67.4	-164.3	-74.5	0	0	113.3	V661 S662 A663 A841 S846	V661-M666 HydrophobicContact CG1-CG 3.88Å; S662-M666 PolarHBondContact O-N 3.34Å; A663-M666 HydrophobicContact CB-CE 3.81Å; M666-A841 HydrophobicContact SD-CB 4.29Å; M666-S846 PolarHBondContact O-OG 3.43Å
667	R	43.4	Very low	51.1	Low	123 Å²	123	63.4 Å²	63.4	46%	0.464	34%	0.343	S	S	.	.	H	α-helix	trans	-92.5	-30.2	-179.9	-68.3	-171.4	-168.2	95.6	-16	114.2	A663 V665 D759 N760	A663-R667 WeakPolarHBondContact O-CG 3.35Å; A663-R667 PolarHBondContact O-N 2.86Å; A663-R667 PolarHBondContact O-NH1 3.45Å; V665-R667 VanDerWaalsContact C-N 3.32Å; V665-R667 PolarHBondContact O-N 3.32Å; R667-D759 IonicContact CZ-OD2 2.78Å; R667-D759 IonicContact NH1-OD2 3.17Å; R667-D759 PolarHBondContact NH1-OD2 2.98Å; R667-D759 IonicContact NH2-OD2 3.72Å; R667-D759 PolarHBondContact NH2-OD2 3.16Å; R667-N760 PolarHBondContact NH2-OD1 3.44Å
668	S	49	Very low	53.1	Low	52 Å²	52	57.1 Å²	57.1	36%	0.364	31%	0.309	S	S	.	.			trans	-78.4	127.1	-174.9	178.7	0	0	0	0	111.4	E664 S670 S673	E664-S668 WeakPolarHBondContact O-CB 3.21Å; E664-S668 PolarHBondContact O-N 2.77Å; S668-S670 PolarHBondContact O-N 3.3Å; S668-S670 VanDerWaalsContact OG-CB 3.28Å; S668-S670 WeakPolarHBondContact OG-CB 3.37Å; S668-S670 PolarHBondContact OG-N 2.93Å; S668-S670 PolarHBondContact OG-OG 3.37Å; S668-S673 WeakPolarHBondContact CB-OG 3.3Å; S668-S673 VanDerWaalsContact O-CB 3.3Å; S668-S673 WeakPolarHBondContact O-CB 3.28Å; S668-S673 PolarHBondContact O-OG 3.34Å; S668-S673 PolarHBondContact OG-OG 3.4Å
669	E	56.1	Low	55	Low	116 Å²	116	55.5 Å²	55.5	54%	0.542	30%	0.3	S	S	.	.			trans	-81.4	5.9	173.5	-59.3	-160.6	158.3	0	0	113.8	N849 K853	E669-N849 PolarHBondContact OE1-ND2 3.16Å; E669-K853 PolarHBondContact O-NZ 3.1Å
670	S	61.4	Low	56.7	Low	40 Å²	40	53.5 Å²	53.5	28%	0.28	29%	0.291	S	S	.	.	S	Bend	trans	-61.8	157.4	-175	78.9	0	0	0	0	113.9	S668 K672 S673 S674	S668-S670 PolarHBondContact O-N 3.3Å; S668-S670 VanDerWaalsContact OG-CB 3.28Å; S668-S670 WeakPolarHBondContact OG-CB 3.37Å; S668-S670 PolarHBondContact OG-N 2.93Å; S668-S670 PolarHBondContact OG-OG 3.37Å; S670-K672 PolarHBondContact O-N 3.44Å; S670-K672 PolarHBondContact OG-N 2.79Å; S670-S673 PolarHBondContact N-OG 3.34Å; S670-S673 PolarHBondContact O-N 2.97Å; S670-S673 PolarHBondContact O-OG 2.89Å; S670-S673 PolarHBondContact OG-N 2.91Å; S670-S673 PolarHBondContact OG-OG 2.8Å; S670-S674 PolarHBondContact O-N 3.14Å
671	P	63.9	Low	58.5	Low	106 Å²	106	51.6 Å²	51.6	69%	0.688	28%	0.275	S	S	*	.	H	α-helix	trans	-56.9	-36.3	172.1	-26.2	35.4	0	0	0	113.1	S674 T675	P671-S674 PolarHBondContact O-N 3.16Å; P671-T675 WeakPolarHBondContact O-CG2 3.48Å; P671-T675 PolarHBondContact O-N 3.24Å; P671-T675 PolarHBondContact O-OG1 3.13Å
672	K	66.2	Low	59.9	Low	169 Å²	169	52.7 Å²	52.7	74%	0.735	28%	0.277	S	S	*	.	H	α-helix	trans	-64.2	-44.6	179.6	-66.9	-177.6	-179.8	177.6	0	111.9	S670 T675 T676	S670-K672 PolarHBondContact O-N 3.44Å; S670-K672 PolarHBondContact OG-N 2.79Å; K672-T675 PolarHBondContact O-N 2.97Å; K672-T675 PolarHBondContact O-OG1 3.23Å; K672-T676 PolarHBondContact O-N 3.47Å; K672-T676 PolarHBondContact O-OG1 3.46Å
673	S	64.7	Low	61.3	Low	5 Å²	5	57.1 Å²	57.1	4%	0.035	30%	0.298	C	S	.	.	H	α-helix	trans	-68.8	-40.6	176.9	38.2	0	0	0	0	112.2	V665 S668 S670 T675 T676 L677	V665-S673 WeakPolarHBondContact O-CB 3.49Å; S668-S673 WeakPolarHBondContact CB-OG 3.3Å; S668-S673 VanDerWaalsContact O-CB 3.3Å; S668-S673 WeakPolarHBondContact O-CB 3.28Å; S668-S673 PolarHBondContact O-OG 3.34Å; S668-S673 PolarHBondContact OG-OG 3.4Å; S670-S673 PolarHBondContact N-OG 3.34Å; S670-S673 PolarHBondContact O-N 2.97Å; S670-S673 PolarHBondContact O-OG 2.89Å; S670-S673 PolarHBondContact OG-N 2.91Å; S670-S673 PolarHBondContact OG-OG 2.8Å; S673-T675 PolarHBondContact O-N 3.31Å; S673-T676 PolarHBondContact O-N 2.8Å; S673-L677 WeakPolarHBondContact O-CB 3.25Å; S673-L677 PolarHBondContact O-N 2.96Å
674	S	67.3	Low	62.7	Low	18 Å²	18	57.1 Å²	57.1	13%	0.126	30%	0.295	C	S	.	.	H	α-helix	trans	-54	-51.5	170.1	173.8	0	0	0	0	112	S670 P671 T676 L677 K678 L850	S670-S674 PolarHBondContact O-N 3.14Å; P671-S674 PolarHBondContact O-N 3.16Å; S674-T676 PolarHBondContact O-N 3.02Å; S674-L677 PolarHBondContact O-N 3.06Å; S674-K678 WeakPolarHBondContact O-CG 3.26Å; S674-K678 PolarHBondContact O-N 2.74Å; S674-L850 WeakPolarHBondContact OG-CD1 3.18Å
675	T	71.5	Confident	64.3	Low	61 Å²	61	50.3 Å²	50.3	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-42.1	177.8	54.2	0	0	0	0	113	P671 K672 S673 L677 K678 D679	P671-T675 WeakPolarHBondContact O-CG2 3.48Å; P671-T675 PolarHBondContact O-N 3.24Å; P671-T675 PolarHBondContact O-OG1 3.13Å; K672-T675 PolarHBondContact O-N 2.97Å; K672-T675 PolarHBondContact O-OG1 3.23Å; S673-T675 PolarHBondContact O-N 3.31Å; T675-L677 VanDerWaalsContact C-N 3.28Å; T675-L677 PolarHBondContact O-N 2.9Å; T675-K678 PolarHBondContact O-N 3.19Å; T675-D679 PolarHBondContact O-N 3.3Å
676	T	70.5	Confident	65	Low	39 Å²	39	51.1 Å²	51.1	24%	0.239	27%	0.269	C	S	.	.	H	α-helix	trans	-62.8	-36.3	177.9	-56.2	0	0	0	0	111.4	I659 V661 V665 K672 S673 S674 A680	I659-T676 HydrophobicContact CG2-CG2 3.6Å; V661-T676 HydrophobicContact CG2-CG2 4.41Å; V665-T676 HydrophobicContact CG1-CG2 4.12Å; V665-T676 HydrophobicContact CG2-CG2 4.39Å; K672-T676 PolarHBondContact O-N 3.47Å; K672-T676 PolarHBondContact O-OG1 3.46Å; S673-T676 PolarHBondContact O-N 2.8Å; S674-T676 PolarHBondContact O-N 3.02Å; T676-A680 WeakPolarHBondContact O-CB 3.49Å; T676-A680 PolarHBondContact O-N 3.09Å
677	L	74.2	Confident	66	Low	12 Å²	12	50.2 Å²	50.2	6%	0.063	27%	0.265	C	S	.	.	H	α-helix	trans	-72.9	-42	175.7	-173.3	59.2	0	0	0	112.2	S673 S674 T675 D679 A680 L681 L840 V842 L850	S673-L677 WeakPolarHBondContact O-CB 3.25Å; S673-L677 PolarHBondContact O-N 2.96Å; S674-L677 PolarHBondContact O-N 3.06Å; T675-L677 VanDerWaalsContact C-N 3.28Å; T675-L677 PolarHBondContact O-N 2.9Å; L677-D679 VanDerWaalsContact C-N 3.29Å; L677-D679 PolarHBondContact O-N 3.01Å; L677-A680 PolarHBondContact O-N 3.38Å; L677-L681 WeakPolarHBondContact O-CG 2.99Å; L677-L681 PolarHBondContact O-N 3.45Å; L677-L840 HydrophobicContact CD1-CD1 4.22Å; L677-L840 HydrophobicContact CD1-CD2 3.73Å; L677-V842 HydrophobicContact CD1-CG2 4.31Å; L677-V842 HydrophobicContact CD2-CG2 4.14Å; L677-L850 HydrophobicContact CB-CD1 4.47Å; L677-L850 HydrophobicContact CB-CD2 4.44Å; L677-L850 HydrophobicContact CD2-CB 4.48Å; L677-L850 HydrophobicContact CD2-CD1 4.24Å; L677-L850 HydrophobicContact CD2-CD2 3.85Å; L677-L850 HydrophobicContact CD2-CG 4.43Å; L677-L850 HydrophobicContact CG-CD2 3.85Å
678	K	75.1	Confident	67	Low	11 Å²	11	44.9 Å²	44.9	5%	0.048	25%	0.245	C	C	.	.	H	α-helix	trans	-56.5	-43.8	171.6	-70.6	-176.5	-177.8	-177.2	0	110.7	S674 T675 L681 K682 L850 E857	S674-K678 WeakPolarHBondContact O-CG 3.26Å; S674-K678 PolarHBondContact O-N 2.74Å; T675-K678 PolarHBondContact O-N 3.19Å; K678-L681 PolarHBondContact O-N 2.6Å; K678-K682 WeakPolarHBondContact O-CG 3.31Å; K678-K682 PolarHBondContact O-N 3.47Å; K678-K682 VanDerWaalsContact O-N 3.13Å; K678-L850 HydrophobicContact CG-CD1 4.09Å; K678-L850 HydrophobicContact CG-CD2 4.3Å; K678-L850 HydrophobicContact CG-CG 4.43Å; K678-E857 IonicContact NZ-OE1 2.67Å; K678-E857 PolarHBondContact NZ-OE1 2.94Å; K678-E857 IonicContact NZ-OE2 2.76Å; K678-E857 PolarHBondContact NZ-OE2 3.34Å
679	D	71.9	Confident	67.7	Low	40 Å²	40	47 Å²	47	21%	0.214	25%	0.249	C	C	.	.	H	α-helix	trans	-70.4	-39.5	179	-71.9	-27.3	0	0	0	113.5	I659 T675 L677 L681 K682 I683	I659-D679 HydrophobicContact CD1-CB 3.58Å; T675-D679 PolarHBondContact O-N 3.3Å; L677-D679 VanDerWaalsContact C-N 3.29Å; L677-D679 PolarHBondContact O-N 3.01Å; D679-L681 VanDerWaalsContact C-N 3.31Å; D679-L681 PolarHBondContact O-N 3.16Å; D679-K682 WeakPolarHBondContact O-CB 3.39Å; D679-K682 PolarHBondContact O-N 3.03Å; D679-K682 WeakPolarHBondContact OD1-CE 3.49Å; D679-K682 IonicContact OD1-NZ 3.81Å; D679-K682 PolarHBondContact OD1-NZ 3.37Å; D679-I683 WeakPolarHBondContact O-CG1 3.43Å; D679-I683 PolarHBondContact O-N 3.34Å
680	A	70.7	Confident	67.7	Low	8 Å²	8	42.7 Å²	42.7	7%	0.066	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-38.4	174.1	0	0	0	0	0	112.2	I659 V661 T676 L677 I683 M684	I659-A680 HydrophobicContact CG2-CB 4.26Å; V661-A680 HydrophobicContact CG2-CB 3.52Å; T676-A680 WeakPolarHBondContact O-CB 3.49Å; T676-A680 PolarHBondContact O-N 3.09Å; L677-A680 PolarHBondContact O-N 3.38Å; A680-I683 PolarHBondContact O-N 3.33Å; A680-M684 PolarHBondContact O-N 3.3Å
681	L	75.3	Confident	67.4	Low	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-50.8	173.1	-70.6	166.2	0	0	0	111.1	L677 K678 D679 I683 M684 H685 F688 L691 L840 L847 L850 F851 L918	L677-L681 WeakPolarHBondContact O-CG 2.99Å; L677-L681 PolarHBondContact O-N 3.45Å; K678-L681 PolarHBondContact O-N 2.6Å; D679-L681 VanDerWaalsContact C-N 3.31Å; D679-L681 PolarHBondContact O-N 3.16Å; L681-I683 PolarHBondContact O-N 3.34Å; L681-I683 VanDerWaalsContact O-N 3.16Å; L681-M684 HydrophobicContact CD2-CE 3.86Å; L681-M684 PolarHBondContact O-N 3.18Å; L681-H685 PolarHBondContact O-N 3.33Å; L681-F688 HydrophobicContact CB-CD1 4.43Å; L681-F688 HydrophobicContact CB-CD2 3.96Å; L681-F688 HydrophobicContact CB-CE2 4.08Å; L681-F688 HydrophobicContact CB-CG 4.14Å; L681-F688 HydrophobicContact CB-CZ 4.34Å; L681-F688 HydrophobicContact CD2-CE2 3.93Å; L681-F688 HydrophobicContact CD2-CZ 3.88Å; L681-F688 WeakPolarHBondContact O-CD2 3.4Å; L681-L691 HydrophobicContact CB-CD1 4.08Å; L681-L691 HydrophobicContact CD1-CD1 4.42Å; L681-L840 HydrophobicContact CD2-CD2 4.18Å; L681-L847 HydrophobicContact CD1-CD1 4.27Å; L681-L850 HydrophobicContact CD1-CD2 3.64Å; L681-F851 HydrophobicContact CD1-CZ 4.23Å; L681-L918 HydrophobicContact CD2-CD1 4.18Å
682	K	72.3	Confident	66.7	Low	52 Å²	52	40.4 Å²	40.4	23%	0.226	21%	0.208	C	C	.	.	H	α-helix	trans	-49	-42.4	175.9	-68.9	172.4	-163.3	167.6	0	113.3	K678 D679 M684	K678-K682 WeakPolarHBondContact O-CG 3.31Å; K678-K682 PolarHBondContact O-N 3.47Å; K678-K682 VanDerWaalsContact O-N 3.13Å; D679-K682 WeakPolarHBondContact O-CB 3.39Å; D679-K682 PolarHBondContact O-N 3.03Å; D679-K682 WeakPolarHBondContact OD1-CE 3.49Å; D679-K682 IonicContact OD1-NZ 3.81Å; D679-K682 PolarHBondContact OD1-NZ 3.37Å; K682-M684 VanDerWaalsContact C-N 3.33Å; K682-M684 PolarHBondContact O-N 3.09Å
683	I	68.1	Low	65.9	Low	115 Å²	115	35.8 Å²	35.8	59%	0.59	19%	0.191	S	C	*	.	H	α-helix	trans	-68.8	-31	-177.8	-67.3	165.7	0	0	0	111.8	I659 D679 A680 L681	I659-I683 HydrophobicContact CB-CD1 4.3Å; I659-I683 HydrophobicContact CD1-CD1 4.17Å; I659-I683 HydrophobicContact CG1-CD1 4.44Å; D679-I683 WeakPolarHBondContact O-CG1 3.43Å; D679-I683 PolarHBondContact O-N 3.34Å; A680-I683 PolarHBondContact O-N 3.33Å; L681-I683 PolarHBondContact O-N 3.34Å; L681-I683 VanDerWaalsContact O-N 3.16Å
684	M	67.4	Low	64.8	Low	20 Å²	20	44.4 Å²	44.4	10%	0.099	23%	0.228	C	C	.	.	H	α-helix	trans	-80.2	-27	-177.6	-72.1	-166.9	-62.3	0	0	115.1	A680 L681 K682 L840 L918 P920	A680-M684 PolarHBondContact O-N 3.3Å; L681-M684 HydrophobicContact CD2-CE 3.86Å; L681-M684 PolarHBondContact O-N 3.18Å; K682-M684 VanDerWaalsContact C-N 3.33Å; K682-M684 PolarHBondContact O-N 3.09Å; M684-L840 HydrophobicContact CE-CB 3.64Å; M684-L840 HydrophobicContact CE-CD2 3.55Å; M684-L840 HydrophobicContact CE-CG 4.24Å; M684-L840 HydrophobicContact SD-CB 3.64Å; M684-L918 HydrophobicContact CE-CB 3.75Å; M684-L918 HydrophobicContact CE-CD1 4.23Å; M684-L918 HydrophobicContact SD-CB 3.99Å; M684-P920 WeakPolarHBondContact O-CB 3.34Å; M684-P920 WeakPolarHBondContact O-CG 3.43Å
685	H	67.1	Low	63.5	Low	6 Å²	6	49.5 Å²	49.5	3%	0.028	25%	0.25	C	C	.	.			trans	-150	127.9	-171.5	-150.6	-39.2	0	0	0	112.3	L681 L687 F688 D1002 I1004	L681-H685 PolarHBondContact O-N 3.33Å; H685-L687 PolarHBondContact O-N 3.12Å; H685-L687 VanDerWaalsContact O-N 3.09Å; H685-F688 HydrophobicContact CB-CD2 3.45Å; H685-F688 VanDerWaalsContact CB-CD2 3.45Å; H685-F688 HydrophobicContact CB-CE2 3.78Å; H685-F688 HydrophobicContact CB-CG 4.45Å; H685-F688 WeakPolarHBondContact O-CB 3.13Å; H685-F688 PolarHBondContact O-N 3.22Å; H685-D1002 IonicContact CE1-OD1 3.16Å; H685-D1002 IonicContact CE1-OD2 2.64Å; H685-D1002 PolarHBondContact CE1-OD2 3.09Å; H685-D1002 IonicContact ND1-OD2 2.86Å; H685-D1002 PolarHBondContact ND1-OD2 3.24Å; H685-D1002 IonicContact NE2-OD1 2.68Å; H685-D1002 IonicContact NE2-OD2 2.71Å; H685-D1002 PolarHBondContact NE2-OD2 2.86Å; H685-I1004 WeakPolarHBondContact NE2-CD1 3.34Å; H685-I1004 VanDerWaalsContact NE2-CG1 3.33Å; H685-I1004 WeakPolarHBondContact NE2-CG1 3.45Å
686	P	63.1	Low	61.5	Low	47 Å²	47	51.3 Å²	51.3	31%	0.305	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-61.7	-19.5	179.7	-25.8	34.9	0	0	0	115.6	F688 Q689	P686-F688 PolarHBondContact O-N 3.38Å; P686-Q689 PolarHBondContact O-N 3.29Å
687	L	66.2	Low	60	Low	14 Å²	14	53.2 Å²	53.2	7%	0.073	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-63.1	-27.2	172.2	-66	-179.2	0	0	0	112.7	H685 Q689 L882 I1004	H685-L687 PolarHBondContact O-N 3.12Å; H685-L687 VanDerWaalsContact O-N 3.09Å; L687-Q689 VanDerWaalsContact C-N 3.32Å; L687-Q689 PolarHBondContact O-N 3.22Å; L687-L882 HydrophobicContact CD1-CD2 4.28Å; L687-I1004 HydrophobicContact CD1-CB 4.27Å; L687-I1004 HydrophobicContact CD1-CD1 4.26Å; L687-I1004 HydrophobicContact CD1-CG2 3.79Å
688	F	65.9	Low	58	Low	11 Å²	11	59.6 Å²	59.6	5%	0.048	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-81.7	-2.8	-177.8	-70.7	-54.4	0	0	0	114.7	L681 H685 P686 C690 L691 F883	L681-F688 HydrophobicContact CB-CD1 4.43Å; L681-F688 HydrophobicContact CB-CD2 3.96Å; L681-F688 HydrophobicContact CB-CE2 4.08Å; L681-F688 HydrophobicContact CB-CG 4.14Å; L681-F688 HydrophobicContact CB-CZ 4.34Å; L681-F688 HydrophobicContact CD2-CE2 3.93Å; L681-F688 HydrophobicContact CD2-CZ 3.88Å; L681-F688 WeakPolarHBondContact O-CD2 3.4Å; H685-F688 HydrophobicContact CB-CD2 3.45Å; H685-F688 VanDerWaalsContact CB-CD2 3.45Å; H685-F688 HydrophobicContact CB-CE2 3.78Å; H685-F688 HydrophobicContact CB-CG 4.45Å; H685-F688 WeakPolarHBondContact O-CB 3.13Å; H685-F688 PolarHBondContact O-N 3.22Å; P686-F688 PolarHBondContact O-N 3.38Å; F688-C690 PolarHBondContact O-N 3.02Å; F688-L691 HydrophobicContact CB-CD1 3.94Å; F688-L691 HydrophobicContact CB-CG 4.2Å; F688-L691 HydrophobicContact CD1-CD1 3.61Å; F688-L691 HydrophobicContact CD1-CD2 4.41Å; F688-L691 HydrophobicContact CD1-CG 3.95Å; F688-L691 HydrophobicContact CE1-CD1 4.39Å; F688-L691 HydrophobicContact CG-CD1 4.04Å; F688-L691 VanDerWaalsContact O-CB 3.29Å; F688-L691 WeakPolarHBondContact O-CB 3.41Å; F688-L691 WeakPolarHBondContact O-CG 3.35Å; F688-L691 PolarHBondContact O-N 2.93Å; F688-F883 HydrophobicContact CE1-CB 3.98Å; F688-F883 AromaticContact CE1-CD1 3.57Å; F688-F883 HydrophobicContact CE1-CD1 3.57Å; F688-F883 AromaticContact CE1-CD2 3.96Å; F688-F883 HydrophobicContact CE1-CD2 3.96Å; F688-F883 HydrophobicContact CE1-CE1 4.01Å; F688-F883 HydrophobicContact CE1-CE2 4.38Å; F688-F883 AromaticContact CE1-CG 3.52Å; F688-F883 HydrophobicContact CE1-CG 3.52Å; F688-F883 HydrophobicContact CE1-CZ 4.39Å; F688-F883 HydrophobicContact CE2-CD2 4.44Å; F688-F883 HydrophobicContact CE2-CE2 4.34Å; F688-F883 HydrophobicContact CZ-CB 4.36Å; F688-F883 AromaticContact CZ-CD1 3.64Å; F688-F883 HydrophobicContact CZ-CD1 3.64Å; F688-F883 AromaticContact CZ-CD2 3.46Å; F688-F883 HydrophobicContact CZ-CD2 3.46Å; F688-F883 VanDerWaalsContact CZ-CD2 3.46Å; F688-F883 AromaticContact CZ-CE1 3.68Å; F688-F883 HydrophobicContact CZ-CE1 3.68Å; F688-F883 AromaticContact CZ-CE2 3.52Å; F688-F883 HydrophobicContact CZ-CE2 3.52Å; F688-F883 AromaticContact CZ-CG 3.51Å; F688-F883 HydrophobicContact CZ-CG 3.51Å; F688-F883 AromaticContact CZ-CZ 3.62Å; F688-F883 HydrophobicContact CZ-CZ 3.62Å
689	Q	62.4	Low	56.1	Low	96 Å²	96	64 Å²	64	45%	0.449	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-56.9	-33	173.2	-173.2	172.9	-7.4	0	0	110.9	P686 L687 L691 Q692 D693	P686-Q689 PolarHBondContact O-N 3.29Å; L687-Q689 VanDerWaalsContact C-N 3.32Å; L687-Q689 PolarHBondContact O-N 3.22Å; Q689-L691 PolarHBondContact O-N 3.17Å; Q689-L691 VanDerWaalsContact O-N 3.09Å; Q689-Q692 PolarHBondContact O-N 3.16Å; Q689-D693 WeakPolarHBondContact CG-OD2 3.46Å; Q689-D693 PolarHBondContact NE2-OD2 2.99Å
690	C	55.9	Low	54.3	Low	27 Å²	27	67.2 Å²	67.2	18%	0.182	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-60.8	-13.1	173.9	-58.4	0	0	0	0	115.1	F688 Q692 Q876 C879	F688-C690 PolarHBondContact O-N 3.02Å; C690-Q692 VanDerWaalsContact C-N 3.32Å; C690-Q692 PolarHBondContact O-N 3.41Å; C690-Q876 WeakPolarHBondContact O-CG 3.49Å; C690-C879 HydrophobicContact CB-CB 4.1Å
691	L	55.6	Low	52.5	Low	9 Å²	9	71.9 Å²	71.9	5%	0.047	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-68.6	-27.3	177	-68.1	-179.1	0	0	0	113.4	L681 F688 Q689 F851 V880	L681-L691 HydrophobicContact CB-CD1 4.08Å; L681-L691 HydrophobicContact CD1-CD1 4.42Å; F688-L691 HydrophobicContact CB-CD1 3.94Å; F688-L691 HydrophobicContact CB-CG 4.2Å; F688-L691 HydrophobicContact CD1-CD1 3.61Å; F688-L691 HydrophobicContact CD1-CD2 4.41Å; F688-L691 HydrophobicContact CD1-CG 3.95Å; F688-L691 HydrophobicContact CE1-CD1 4.39Å; F688-L691 HydrophobicContact CG-CD1 4.04Å; F688-L691 VanDerWaalsContact O-CB 3.29Å; F688-L691 WeakPolarHBondContact O-CB 3.41Å; F688-L691 WeakPolarHBondContact O-CG 3.35Å; F688-L691 PolarHBondContact O-N 2.93Å; Q689-L691 PolarHBondContact O-N 3.17Å; Q689-L691 VanDerWaalsContact O-N 3.09Å; L691-F851 HydrophobicContact CD2-CE1 4.23Å; L691-V880 HydrophobicContact CD2-CG2 3.67Å
692	Q	49.3	Very low	50.5	Low	88 Å²	88	76.9 Å²	76.9	41%	0.411	44%	0.436	S	S	.	.	S	Bend	trans	-158	103.1	171.7	-64.6	-176.3	-17.8	0	0	110.6	Q689 C690	Q689-Q692 PolarHBondContact O-N 3.16Å; C690-Q692 VanDerWaalsContact C-N 3.32Å; C690-Q692 PolarHBondContact O-N 3.41Å
693	D	49.1	Very low	48.8	Very low	72 Å²	72	80.8 Å²	80.8	39%	0.385	47%	0.465	S	S	.	.			trans	-143	100.4	158.5	-111.6	-38.8	0	0	0	108.6	Q689 Q695	Q689-D693 WeakPolarHBondContact CG-OD2 3.46Å; Q689-D693 PolarHBondContact NE2-OD2 2.99Å; D693-Q695 PolarHBondContact O-N 2.88Å
694	K	41.8	Very low	47.3	Very low	186 Å²	186	81.3 Å²	81.3	81%	0.809	47%	0.468	S	S	*	.			trans	-77.7	50.7	173.3	-68.5	-154.9	174.9	-143	0	110.9	E861	K694-E861 IonicContact NZ-OE1 3.41Å; K694-E861 PolarHBondContact NZ-OE1 2.88Å
695	Q	39.2	Very low	46	Very low	126 Å²	126	87.6 Å²	87.6	59%	0.589	50%	0.502	S	S	*	.			trans	-109.5	106.8	-175.9	-77.7	-66.3	-26.5	0	0	110.6	D693 T697	D693-Q695 PolarHBondContact O-N 2.88Å; Q695-T697 VanDerWaalsContact C-N 3.33Å; Q695-T697 PolarHBondContact O-N 2.75Å
696	P	31.4	Very low	45.2	Very low	99 Å²	99	92.6 Å²	92.6	64%	0.643	53%	0.526	S	S	*	.			trans	-73.9	85.7	175.8	30.5	-33.9	0	0	0	110	T698	P696-T698 PolarHBondContact O-N 2.92Å
697	T	38.1	Very low	44.5	Very low	79 Å²	79	95.6 Å²	95.6	49%	0.485	54%	0.536	S	S	.	.			trans	-78.2	73	178.5	43.3	0	0	0	0	111.4	Q695 S699	Q695-T697 VanDerWaalsContact C-N 3.33Å; Q695-T697 PolarHBondContact O-N 2.75Å; T697-S699 PolarHBondContact O-N 3.42Å
698	T	31.2	Very low	43.8	Very low	145 Å²	145	99.2 Å²	99.2	89%	0.89	56%	0.562	S	S	*	*			trans	-56.3	94.9	172.8	41.6	0	0	0	0	112	P696	P696-T698 PolarHBondContact O-N 2.92Å
699	S	35.4	Very low	43.5	Very low	104 Å²	104	104.3 Å²	104.3	73%	0.727	59%	0.586	S	S	*	*			trans	-137.8	126.1	164.6	71.8	0	0	0	0	109.6	T697	T697-S699 PolarHBondContact O-N 3.42Å
700	S	35	Very low	43.4	Very low	108 Å²	108	103.2 Å²	103.2	76%	0.755	58%	0.583	S	S	*	*			trans	-95.9	157	-156	55	0	0	0	0	115
701	S	32.4	Very low	43.6	Very low	105 Å²	105	104 Å²	104	73%	0.734	59%	0.589	S	S	*	*			trans	69.1	135.9	154.6	57.8	0	0	0	0	118.9
702	P	33	Very low	44.2	Very low	105 Å²	105	109.9 Å²	109.9	68%	0.682	61%	0.614	S	S	*	*			trans	-79.8	162.4	176.9	35.3	-36.3	0	0	0	112.2
703	T	37.8	Very low	45.2	Very low	135 Å²	135	110.7 Å²	110.7	83%	0.828	62%	0.621	S	S	*	*			trans	-145.2	98.4	156.4	20	0	0	0	0	108.3
704	D	35.4	Very low	46.2	Very low	125 Å²	125	107.4 Å²	107.4	67%	0.668	60%	0.603	S	S	*	*			trans	-62.1	164.3	176.2	-50.3	-70	0	0	0	111.2
705	N	40.9	Very low	47.7	Very low	152 Å²	152	99.6 Å²	99.6	81%	0.813	57%	0.57	S	S	*	*	S	Bend	trans	104.4	-3.4	-176.8	-60.5	-74.4	0	0	0	118.1
706	H	49.4	Very low	49.3	Very low	111 Å²	111	97.6 Å²	97.6	51%	0.514	56%	0.564	S	S	.	*			trans	-103.3	-5.7	-178.6	-96.4	-58.2	0	0	0	116.9	S708 Q709 N710	H706-S708 PolarHBondContact O-N 3.39Å; H706-Q709 PolarHBondContact CE1-OE1 3.11Å; H706-Q709 VanDerWaalsContact CE1-OE1 3.28Å; H706-Q709 PolarHBondContact ND1-OE1 3.07Å; H706-Q709 PolarHBondContact O-N 3Å; H706-Q709 VanDerWaalsContact O-N 3.08Å; H706-N710 PolarHBondContact O-N 3.11Å; H706-N710 VanDerWaalsContact O-N 3.08Å
707	E	48.9	Very low	51.4	Low	111 Å²	111	94.3 Å²	94.3	52%	0.519	54%	0.542	S	S	.	.	H	α-helix	trans	-54.8	-49.3	-170.4	-58	-175.6	107.7	0	0	114.3	Q709 N710 S711 Q986	E707-Q709 PolarHBondContact O-N 2.79Å; E707-N710 PolarHBondContact O-N 3.18Å; E707-N710 VanDerWaalsContact O-N 3.15Å; E707-S711 PolarHBondContact O-N 3.09Å; E707-S711 VanDerWaalsContact O-N 3.08Å; E707-S711 PolarHBondContact O-OG 2.87Å; E707-Q986 PolarHBondContact OE1-NE2 3.26Å
708	S	52.3	Low	53.3	Low	89 Å²	89	90.5 Å²	90.5	62%	0.622	52%	0.519	S	S	*	.	H	α-helix	trans	-67.3	-21	-178.9	62.9	0	0	0	0	114	H706 S711 K712	H706-S708 PolarHBondContact O-N 3.39Å; S708-S711 PolarHBondContact O-OG 3.07Å; S708-K712 WeakPolarHBondContact O-CB 3.45Å
709	Q	59.1	Low	55.3	Low	118 Å²	118	85.5 Å²	85.5	55%	0.551	49%	0.49	S	S	*	.	H	α-helix	trans	-84.2	-35.6	173.2	-63.6	-172.8	4.3	0	0	111.5	H706 E707 L713	H706-Q709 PolarHBondContact CE1-OE1 3.11Å; H706-Q709 VanDerWaalsContact CE1-OE1 3.28Å; H706-Q709 PolarHBondContact ND1-OE1 3.07Å; H706-Q709 PolarHBondContact O-N 3Å; H706-Q709 VanDerWaalsContact O-N 3.08Å; E707-Q709 PolarHBondContact O-N 2.79Å; Q709-L713 WeakPolarHBondContact O-CB 3.37Å; Q709-L713 PolarHBondContact O-N 3.27Å
710	N	59.3	Low	57	Low	74 Å²	74	83.4 Å²	83.4	40%	0.396	47%	0.469	S	S	.	.	H	α-helix	trans	-66.7	-48.5	178.5	-70.8	-20	0	0	0	111.5	H706 E707 K712 L713 L714	H706-N710 PolarHBondContact O-N 3.11Å; H706-N710 VanDerWaalsContact O-N 3.08Å; E707-N710 PolarHBondContact O-N 3.18Å; E707-N710 VanDerWaalsContact O-N 3.15Å; N710-K712 PolarHBondContact O-N 3.34Å; N710-L713 PolarHBondContact O-N 3.19Å; N710-L714 WeakPolarHBondContact O-CB 3.44Å; N710-L714 PolarHBondContact O-N 3.48Å
711	S	60.8	Low	58.6	Low	44 Å²	44	78.6 Å²	78.6	31%	0.308	43%	0.434	S	S	.	.	H	α-helix	trans	-61.2	-45.2	178	59.7	0	0	0	0	111.7	E707 S708 L714 I715	E707-S711 PolarHBondContact O-N 3.09Å; E707-S711 VanDerWaalsContact O-N 3.08Å; E707-S711 PolarHBondContact O-OG 2.87Å; S708-S711 PolarHBondContact O-OG 3.07Å; S711-L714 PolarHBondContact O-N 3.06Å; S711-I715 VanDerWaalsContact O-CG1 3.31Å; S711-I715 WeakPolarHBondContact O-CG1 3.39Å; S711-I715 PolarHBondContact O-N 2.63Å
712	K	68.4	Low	60.4	Low	132 Å²	132	74 Å²	74	57%	0.574	40%	0.402	S	S	*	.	H	α-helix	trans	-62.8	-47.2	175.7	-175.4	168.9	-176.8	169	0	112.7	S708 N710 L714 I715 D716	S708-K712 WeakPolarHBondContact O-CB 3.45Å; N710-K712 PolarHBondContact O-N 3.34Å; K712-L714 VanDerWaalsContact C-N 3.26Å; K712-L714 PolarHBondContact O-N 3.11Å; K712-I715 PolarHBondContact O-N 3.29Å; K712-D716 WeakPolarHBondContact O-CB 3.37Å; K712-D716 PolarHBondContact O-N 2.81Å
713	L	70.5	Confident	62.1	Low	104 Å²	104	74 Å²	74	55%	0.545	39%	0.391	S	S	.	.	H	α-helix	trans	-59.1	-39	176.9	174.5	62.5	0	0	0	111.7	Q709 N710 C717	Q709-L713 WeakPolarHBondContact O-CB 3.37Å; Q709-L713 PolarHBondContact O-N 3.27Å; N710-L713 PolarHBondContact O-N 3.19Å; L713-C717 WeakPolarHBondContact O-CB 3.4Å; L713-C717 PolarHBondContact O-N 3.5Å; L713-C717 PolarHBondContact O-SG 3.03Å
714	L	70.3	Confident	63.3	Low	4 Å²	4	69 Å²	69	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-69.1	-44.2	178.1	-178.6	55.2	0	0	0	111.6	N710 S711 K712 D716 C717 L718 Y985 I991 L994 L995	N710-L714 WeakPolarHBondContact O-CB 3.44Å; N710-L714 PolarHBondContact O-N 3.48Å; S711-L714 PolarHBondContact O-N 3.06Å; K712-L714 VanDerWaalsContact C-N 3.26Å; K712-L714 PolarHBondContact O-N 3.11Å; L714-D716 VanDerWaalsContact C-N 3.34Å; L714-D716 PolarHBondContact O-N 3.38Å; L714-C717 CarbonylContact O-C 3.6Å; L714-C717 WeakPolarHBondContact O-CA 3.49Å; L714-C717 WeakPolarHBondContact O-CB 3.27Å; L714-C717 PolarHBondContact O-N 2.91Å; L714-C717 VanDerWaalsContact O-N 3.11Å; L714-L718 HydrophobicContact CD1-CD1 4.12Å; L714-L718 HydrophobicContact CD1-CG 4.09Å; L714-L718 HydrophobicContact CG-CD1 3.92Å; L714-L718 HydrophobicContact CG-CG 4.36Å; L714-L718 WeakPolarHBondContact O-CB 3.42Å; L714-L718 VanDerWaalsContact O-CG 3.3Å; L714-L718 WeakPolarHBondContact O-CG 3.29Å; L714-L718 PolarHBondContact O-N 3.16Å; L714-Y985 HydrophobicContact CD2-CD1 3.56Å; L714-Y985 HydrophobicContact CD2-CD2 3.97Å; L714-Y985 HydrophobicContact CD2-CE1 3.35Å; L714-Y985 HydrophobicContact CD2-CE2 3.77Å; L714-Y985 HydrophobicContact CD2-CG 3.86Å; L714-Y985 VanDerWaalsContact CD2-CZ 3.45Å; L714-Y985 HydrophobicContact CG-CE1 4.47Å; L714-Y985 HydrophobicContact CG-CE2 4.38Å; L714-I991 HydrophobicContact CD2-CB 4.44Å; L714-I991 HydrophobicContact CD2-CD1 3.84Å; L714-I991 HydrophobicContact CD2-CG1 3.72Å; L714-I991 HydrophobicContact CD2-CG2 4.22Å; L714-L994 HydrophobicContact CD1-CD2 4.31Å; L714-L994 HydrophobicContact CD2-CD2 4.34Å; L714-L995 HydrophobicContact CD1-CD2 3.85Å; L714-L995 HydrophobicContact CD1-CG 4.32Å
715	I	72.1	Confident	64.7	Low	22 Å²	22	64 Å²	64	11%	0.113	34%	0.335	C	S	.	.	H	α-helix	trans	-67.4	-36.3	177.2	-57.2	164.1	0	0	0	110.9	S711 K712 C717 L718 S719 C1012 L1013 Q1016	S711-I715 VanDerWaalsContact O-CG1 3.31Å; S711-I715 WeakPolarHBondContact O-CG1 3.39Å; S711-I715 PolarHBondContact O-N 2.63Å; K712-I715 PolarHBondContact O-N 3.29Å; I715-C717 VanDerWaalsContact C-N 3.33Å; I715-C717 PolarHBondContact O-N 2.88Å; I715-L718 PolarHBondContact O-N 3.16Å; I715-S719 WeakPolarHBondContact O-CB 3.45Å; I715-S719 PolarHBondContact O-N 2.86Å; I715-C1012 HydrophobicContact CG1-CB 4.23Å; I715-C1012 HydrophobicContact CG2-CB 4.48Å; I715-L1013 HydrophobicContact CG2-CD2 3.85Å; I715-Q1016 HydrophobicContact CD1-CG 4.32Å; I715-Q1016 VanDerWaalsContact CG2-CD 3.49Å; I715-Q1016 HydrophobicContact CG2-CG 4.43Å
716	D	74.1	Confident	65.8	Low	84 Å²	84	63 Å²	63	45%	0.449	33%	0.327	S	S	.	.	H	α-helix	trans	-56.8	-45.7	168.6	-77.6	-20.6	0	0	0	110.9	K712 L714 S719 E720	K712-D716 WeakPolarHBondContact O-CB 3.37Å; K712-D716 PolarHBondContact O-N 2.81Å; L714-D716 VanDerWaalsContact C-N 3.34Å; L714-D716 PolarHBondContact O-N 3.38Å; D716-S719 PolarHBondContact O-N 3.26Å; D716-S719 PolarHBondContact O-OG 3.02Å; D716-E720 PolarHBondContact O-N 3.45Å
717	C	76.1	Confident	66.3	Low	29 Å²	29	62 Å²	62	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-41.6	177	-69.7	0	0	0	0	113.1	L713 L714 I715 S719 E720 Y721 L995	L713-C717 WeakPolarHBondContact O-CB 3.4Å; L713-C717 PolarHBondContact O-N 3.5Å; L713-C717 PolarHBondContact O-SG 3.03Å; L714-C717 CarbonylContact O-C 3.6Å; L714-C717 WeakPolarHBondContact O-CA 3.49Å; L714-C717 WeakPolarHBondContact O-CB 3.27Å; L714-C717 PolarHBondContact O-N 2.91Å; L714-C717 VanDerWaalsContact O-N 3.11Å; I715-C717 VanDerWaalsContact C-N 3.33Å; I715-C717 PolarHBondContact O-N 2.88Å; C717-S719 VanDerWaalsContact C-N 3.3Å; C717-S719 PolarHBondContact O-N 3.4Å; C717-E720 PolarHBondContact O-N 3.19Å; C717-Y721 WeakPolarHBondContact O-CB 3.43Å; C717-Y721 PolarHBondContact O-N 3.09Å; C717-L995 HydrophobicContact CB-CD2 4.37Å
718	L	77.2	Confident	66.7	Low	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-68.5	-30.1	176.6	-68.2	169.2	0	0	0	111.5	L714 I715 L722 Y985 L994 I998 T1005 V1008 A1009	L714-L718 HydrophobicContact CD1-CD1 4.12Å; L714-L718 HydrophobicContact CD1-CG 4.09Å; L714-L718 HydrophobicContact CG-CD1 3.92Å; L714-L718 HydrophobicContact CG-CG 4.36Å; L714-L718 WeakPolarHBondContact O-CB 3.42Å; L714-L718 VanDerWaalsContact O-CG 3.3Å; L714-L718 WeakPolarHBondContact O-CG 3.29Å; L714-L718 PolarHBondContact O-N 3.16Å; I715-L718 PolarHBondContact O-N 3.16Å; L718-L722 WeakPolarHBondContact O-CB 3.41Å; L718-L722 PolarHBondContact O-N 2.89Å; L718-Y985 VanDerWaalsContact CD1-OH 3.28Å; L718-Y985 WeakPolarHBondContact CD1-OH 3.13Å; L718-L994 HydrophobicContact CD1-CD2 4.45Å; L718-L994 HydrophobicContact CD2-CD2 4.34Å; L718-I998 HydrophobicContact CD2-CD1 3.96Å; L718-I998 HydrophobicContact CD2-CG1 4.4Å; L718-T1005 HydrophobicContact CD2-CG2 3.97Å; L718-V1008 HydrophobicContact CD1-CG1 4.21Å; L718-A1009 HydrophobicContact CB-CB 3.82Å; L718-A1009 HydrophobicContact CD2-CB 4Å; L718-A1009 HydrophobicContact CG-CB 4.35Å
719	S	72.9	Confident	66.6	Low	40 Å²	40	61.4 Å²	61.4	28%	0.28	30%	0.303	S	S	.	.	H	α-helix	trans	-70.2	-45	173.3	84.5	0	0	0	0	112.3	I715 D716 C717 Y721 L722 F723	I715-S719 WeakPolarHBondContact O-CB 3.45Å; I715-S719 PolarHBondContact O-N 2.86Å; D716-S719 PolarHBondContact O-N 3.26Å; D716-S719 PolarHBondContact O-OG 3.02Å; C717-S719 VanDerWaalsContact C-N 3.3Å; C717-S719 PolarHBondContact O-N 3.4Å; S719-Y721 VanDerWaalsContact C-N 3.33Å; S719-L722 PolarHBondContact O-N 2.78Å; S719-F723 WeakPolarHBondContact O-CB 3.39Å; S719-F723 PolarHBondContact O-N 2.9Å
720	E	71.5	Confident	65.9	Low	60 Å²	60	60.5 Å²	60.5	28%	0.28	31%	0.31	S	S	.	.	H	α-helix	trans	-71.3	-27.6	174.1	-77.9	-91.5	-158.4	0	0	111.4	R295 D716 C717 T724	R295-E720 IonicContact CZ-OE1 3.43Å; R295-E720 IonicContact NE-OE1 3.79Å; R295-E720 IonicContact NH2-OE1 2.68Å; R295-E720 PolarHBondContact NH2-OE1 3.01Å; D716-E720 PolarHBondContact O-N 3.45Å; C717-E720 PolarHBondContact O-N 3.19Å; E720-T724 WeakPolarHBondContact O-CB 3.48Å; E720-T724 PolarHBondContact O-N 3.29Å; E720-T724 PolarHBondContact O-OG1 3.1Å
721	Y	69	Low	65	Low	6 Å²	6	61.3 Å²	61.3	2%	0.024	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-57.8	167.3	171.8	-111.9	0	0	0	110.9	C717 S719 F723 T724 C725 I998 P1000 D1002 T1005 M1006 A1009	C717-Y721 WeakPolarHBondContact O-CB 3.43Å; C717-Y721 PolarHBondContact O-N 3.09Å; S719-Y721 VanDerWaalsContact C-N 3.33Å; Y721-F723 VanDerWaalsContact C-N 3.32Å; Y721-F723 PolarHBondContact O-N 3.11Å; Y721-T724 CarbonylContact O-C 3.58Å; Y721-T724 WeakPolarHBondContact O-CA 3.48Å; Y721-T724 WeakPolarHBondContact O-CB 3.34Å; Y721-T724 PolarHBondContact O-N 3.1Å; Y721-C725 VanDerWaalsContact CE2-SG 3.51Å; Y721-C725 PolarHBondContact O-N 3.17Å; Y721-C725 PolarHBondContact O-SG 3.2Å; Y721-C725 VanDerWaalsContact O-SG 3.34Å; Y721-I998 HydrophobicContact CD2-CB 4.38Å; Y721-I998 HydrophobicContact CD2-CG1 4.42Å; Y721-I998 HydrophobicContact CD2-CG2 3.86Å; Y721-I998 WeakPolarHBondContact CD2-O 3.25Å; Y721-I998 HydrophobicContact CE2-CG2 4.47Å; Y721-I998 VanDerWaalsContact CE2-O 3.26Å; Y721-I998 WeakPolarHBondContact CE2-O 3.31Å; Y721-I998 HydrophobicContact CG-CG1 4.36Å; Y721-I998 HydrophobicContact CG-CG2 4.36Å; Y721-P1000 HydrophobicContact CE2-CB 3.89Å; Y721-P1000 HydrophobicContact CE2-CG 4.42Å; Y721-D1002 PolarHBondContact OH-N 3.17Å; Y721-D1002 PolarHBondContact OH-O 3.07Å; Y721-D1002 VanDerWaalsContact OH-O 3.1Å; Y721-T1005 HydrophobicContact CD1-CG2 3.82Å; Y721-T1005 HydrophobicContact CE1-CG2 3.45Å; Y721-T1005 VanDerWaalsContact CE1-CG2 3.45Å; Y721-M1006 HydrophobicContact CE1-CG 3.82Å; Y721-A1009 HydrophobicContact CD1-CB 4.49Å
722	L	69.9	Low	64.2	Low	10 Å²	10	64.3 Å²	64.3	5%	0.052	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-40.6	178.3	-81.3	175.8	0	0	0	112.4	L718 S719 T724 C725 M726 M1006 A1009 R1010 L1013	L718-L722 WeakPolarHBondContact O-CB 3.41Å; L718-L722 PolarHBondContact O-N 2.89Å; S719-L722 PolarHBondContact O-N 2.78Å; L722-T724 VanDerWaalsContact C-N 3.27Å; L722-T724 PolarHBondContact O-N 3.28Å; L722-C725 PolarHBondContact O-N 2.97Å; L722-M726 WeakPolarHBondContact O-CB 3.26Å; L722-M726 VanDerWaalsContact O-CG 3.27Å; L722-M726 WeakPolarHBondContact O-CG 3.25Å; L722-M726 PolarHBondContact O-N 3.38Å; L722-M1006 HydrophobicContact CD2-CG 4.33Å; L722-A1009 HydrophobicContact CD1-CB 3.42Å; L722-A1009 VanDerWaalsContact CD1-CB 3.42Å; L722-A1009 HydrophobicContact CD2-CB 4.23Å; L722-A1009 HydrophobicContact CG-CB 3.58Å; L722-R1010 HydrophobicContact CD1-CG 3.89Å; L722-R1010 HydrophobicContact CD2-CG 4.29Å; L722-L1013 HydrophobicContact CD1-CD1 3.64Å
723	F	67.7	Low	62.7	Low	104 Å²	104	61.2 Å²	61.2	46%	0.456	32%	0.316	S	S	.	.	H	α-helix	trans	-63.9	-32.6	174.1	-177.9	-135.8	0	0	0	112.5	S719 Y721 K727	S719-F723 WeakPolarHBondContact O-CB 3.39Å; S719-F723 PolarHBondContact O-N 2.9Å; Y721-F723 VanDerWaalsContact C-N 3.32Å; Y721-F723 PolarHBondContact O-N 3.11Å; F723-K727 WeakPolarHBondContact O-CG 3.08Å; F723-K727 PolarHBondContact O-N 3.26Å
724	T	64.1	Low	61	Low	31 Å²	31	62 Å²	62	19%	0.19	32%	0.316	C	S	.	.	H	α-helix	trans	-71	-45.6	171.3	-61.9	0	0	0	0	110.8	E720 Y721 L722 M726 K727 L728	E720-T724 WeakPolarHBondContact O-CB 3.48Å; E720-T724 PolarHBondContact O-N 3.29Å; E720-T724 PolarHBondContact O-OG1 3.1Å; Y721-T724 CarbonylContact O-C 3.58Å; Y721-T724 WeakPolarHBondContact O-CA 3.48Å; Y721-T724 WeakPolarHBondContact O-CB 3.34Å; Y721-T724 PolarHBondContact O-N 3.1Å; L722-T724 VanDerWaalsContact C-N 3.27Å; L722-T724 PolarHBondContact O-N 3.28Å; T724-M726 PolarHBondContact O-N 2.84Å; T724-K727 CarbonylContact O-C 3.52Å; T724-K727 WeakPolarHBondContact O-CB 3.33Å; T724-K727 PolarHBondContact O-N 3.36Å; T724-K727 VanDerWaalsContact O-N 3.1Å; T724-L728 HydrophobicContact CG2-CD1 3.99Å; T724-L728 HydrophobicContact CG2-CG 4.17Å; T724-L728 WeakPolarHBondContact O-CB 3.43Å; T724-L728 WeakPolarHBondContact O-CG 3.1Å; T724-L728 PolarHBondContact O-N 2.97Å
725	C	64.4	Low	59.3	Low	20 Å²	20	64 Å²	64	14%	0.135	34%	0.338	C	S	.	.	H	α-helix	trans	-60.2	-42.5	175.2	-64.5	0	0	0	0	112.2	Y721 L722 K727 L728 R729	Y721-C725 VanDerWaalsContact CE2-SG 3.51Å; Y721-C725 PolarHBondContact O-N 3.17Å; Y721-C725 PolarHBondContact O-SG 3.2Å; Y721-C725 VanDerWaalsContact O-SG 3.34Å; L722-C725 PolarHBondContact O-N 2.97Å; C725-K727 VanDerWaalsContact C-N 3.29Å; C725-K727 PolarHBondContact O-N 3.15Å; C725-L728 PolarHBondContact O-N 2.72Å; C725-R729 VanDerWaalsContact O-CB 3.29Å; C725-R729 WeakPolarHBondContact O-CB 3.33Å; C725-R729 PolarHBondContact O-N 2.84Å
726	M	64.1	Low	57.5	Low	131 Å²	131	67.8 Å²	67.8	65%	0.645	36%	0.355	S	S	*	.	H	α-helix	trans	-62.3	-33.4	174.4	-72.2	176.5	75.2	0	0	112.7	L722 T724	L722-M726 WeakPolarHBondContact O-CB 3.26Å; L722-M726 VanDerWaalsContact O-CG 3.27Å; L722-M726 WeakPolarHBondContact O-CG 3.25Å; L722-M726 PolarHBondContact O-N 3.38Å; T724-M726 PolarHBondContact O-N 2.84Å
727	K	60.7	Low	56.1	Low	89 Å²	89	68.4 Å²	68.4	39%	0.387	35%	0.354	S	S	.	.	H	α-helix	trans	-75.7	-44	172.3	-75.8	169.1	179.9	164.3	0	112.5	F723 T724 C725 R729 S730	F723-K727 WeakPolarHBondContact O-CG 3.08Å; F723-K727 PolarHBondContact O-N 3.26Å; T724-K727 CarbonylContact O-C 3.52Å; T724-K727 WeakPolarHBondContact O-CB 3.33Å; T724-K727 PolarHBondContact O-N 3.36Å; T724-K727 VanDerWaalsContact O-N 3.1Å; C725-K727 VanDerWaalsContact C-N 3.29Å; C725-K727 PolarHBondContact O-N 3.15Å; K727-R729 PolarHBondContact O-N 2.92Å; K727-S730 WeakPolarHBondContact O-CB 3.43Å; K727-S730 PolarHBondContact O-N 3.11Å; K727-S730 PolarHBondContact O-OG 2.67Å
728	L	55.7	Low	54.3	Low	36 Å²	36	68 Å²	68	19%	0.188	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-34.2	177	-71.3	178.8	0	0	0	110.8	F298 T724 C725 S730 L731 L733 P1000	F298-L728 HydrophobicContact CZ-CD2 4.38Å; T724-L728 HydrophobicContact CG2-CD1 3.99Å; T724-L728 HydrophobicContact CG2-CG 4.17Å; T724-L728 WeakPolarHBondContact O-CB 3.43Å; T724-L728 WeakPolarHBondContact O-CG 3.1Å; T724-L728 PolarHBondContact O-N 2.97Å; C725-L728 PolarHBondContact O-N 2.72Å; L728-S730 PolarHBondContact O-N 3.36Å; L728-S730 VanDerWaalsContact O-N 3.16Å; L728-L731 HydrophobicContact CD2-CD1 4.2Å; L728-L731 CarbonylContact O-C 3.58Å; L728-L731 WeakPolarHBondContact O-CA 3.43Å; L728-L731 WeakPolarHBondContact O-CB 3.14Å; L728-L731 PolarHBondContact O-N 3.43Å; L728-L733 HydrophobicContact CB-CD1 4.21Å; L728-P1000 HydrophobicContact CD1-CB 4.35Å; L728-P1000 HydrophobicContact CD1-CG 3.77Å
729	R	51.1	Low	52.8	Low	152 Å²	152	71.9 Å²	71.9	57%	0.574	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-13	171	-174.6	171.5	174.2	178.7	-4.2	114.8	C725 K727	C725-R729 VanDerWaalsContact O-CB 3.29Å; C725-R729 WeakPolarHBondContact O-CB 3.33Å; C725-R729 PolarHBondContact O-N 2.84Å; K727-R729 PolarHBondContact O-N 2.92Å
730	S	43.4	Very low	51.9	Low	99 Å²	99	71.3 Å²	71.3	69%	0.692	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.7	169	74.9	0	0	0	0	113.5	K727 L728	K727-S730 WeakPolarHBondContact O-CB 3.43Å; K727-S730 PolarHBondContact O-N 3.11Å; K727-S730 PolarHBondContact O-OG 2.67Å; L728-S730 PolarHBondContact O-N 3.36Å; L728-S730 VanDerWaalsContact O-N 3.16Å
731	L	40.8	Very low	50.9	Low	90 Å²	90	70 Å²	70	47%	0.471	37%	0.366	S	S	.	.	S	Bend	trans	-100.2	125.9	166.3	-58	174.5	0	0	0	107.7	L728 L733	L728-L731 HydrophobicContact CD2-CD1 4.2Å; L728-L731 CarbonylContact O-C 3.58Å; L728-L731 WeakPolarHBondContact O-CA 3.43Å; L728-L731 WeakPolarHBondContact O-CB 3.14Å; L728-L731 PolarHBondContact O-N 3.43Å; L731-L733 VanDerWaalsContact C-N 3.31Å; L731-L733 HydrophobicContact CB-CD2 4.38Å; L731-L733 HydrophobicContact CB-CG 4.44Å; L731-L733 PolarHBondContact O-N 3.42Å
732	D	43.4	Very low	50.1	Low	107 Å²	107	73.4 Å²	73.4	57%	0.572	38%	0.38	S	S	*	.			trans	-73.6	87.2	175.6	-171.9	11.5	0	0	0	109.1	Q734	D732-Q734 PolarHBondContact O-N 2.81Å; D732-Q734 PolarHBondContact OD2-NE2 2.63Å
733	L	37.5	Very low	49.2	Very low	68 Å²	68	77.1 Å²	77.1	36%	0.356	41%	0.405	S	S	.	.			trans	-75.8	69.8	-175.1	-70.5	179.1	0	0	0	111.4	L728 L731 G735 A738	L728-L733 HydrophobicContact CB-CD1 4.21Å; L731-L733 VanDerWaalsContact C-N 3.31Å; L731-L733 HydrophobicContact CB-CD2 4.38Å; L731-L733 HydrophobicContact CB-CG 4.44Å; L731-L733 PolarHBondContact O-N 3.42Å; L733-G735 VanDerWaalsContact C-N 3.28Å; L733-G735 PolarHBondContact O-N 2.83Å; L733-A738 WeakPolarHBondContact O-CA 3.2Å; L733-A738 WeakPolarHBondContact O-CB 3.36Å; L733-A738 PolarHBondContact O-N 3.45Å
734	Q	35.6	Very low	48.6	Very low	120 Å²	120	74.8 Å²	74.8	56%	0.561	40%	0.397	S	S	*	.			trans	-69.7	75.2	178.3	-61.5	-177.2	6	0	0	112.3	D732	D732-Q734 PolarHBondContact O-N 2.81Å; D732-Q734 PolarHBondContact OD2-NE2 2.63Å
735	G	33.4	Very low	47.9	Very low	46 Å²	46	79.4 Å²	79.4	47%	0.474	42%	0.415	S	S	.	.	S	Bend	trans	156.1	124.8	171.6	0	0	0	0	0	112.9	L733 F737	L733-G735 VanDerWaalsContact C-N 3.28Å; L733-G735 PolarHBondContact O-N 2.83Å; G735-F737 WeakPolarHBondContact O-CD2 3.26Å; G735-F737 PolarHBondContact O-N 3.2Å
736	E	36	Very low	47.2	Very low	101 Å²	101	86 Å²	86	47%	0.472	45%	0.449	S	S	.	.	S	Bend	trans	54	-31	-178.2	-67.2	-173	120.4	0	0	117.8	Y774	E736-Y774 HydrophobicContact CG-CE1 4.3Å; E736-Y774 PolarHBondContact OE1-OH 3.14Å; E736-Y774 VanDerWaalsContact OE1-OH 3.06Å
737	F	42.8	Very low	46.9	Very low	97 Å²	97	81.2 Å²	81.2	43%	0.425	42%	0.424	S	S	.	.	S	Bend	trans	-121.8	10.7	-166.2	-53.8	-57.8	0	0	0	112.9	G735 T739 P1001	G735-F737 WeakPolarHBondContact O-CD2 3.26Å; G735-F737 PolarHBondContact O-N 3.2Å; F737-T739 PolarHBondContact O-N 3.23Å; F737-P1001 HydrophobicContact CB-CG 4.16Å; F737-P1001 WeakPolarHBondContact O-CG 3.32Å
738	A	39	Very low	47	Very low	21 Å²	21	80.5 Å²	80.5	17%	0.174	43%	0.425	C	S	.	.			trans	-64.7	129.6	173.8	0	0	0	0	0	110.1	L733 F740 F742	L733-A738 WeakPolarHBondContact O-CA 3.2Å; L733-A738 WeakPolarHBondContact O-CB 3.36Å; L733-A738 PolarHBondContact O-N 3.45Å; A738-F740 VanDerWaalsContact C-N 3.34Å; A738-F740 PolarHBondContact O-N 3.28Å; A738-F742 HydrophobicContact CB-CE1 4.2Å; A738-F742 HydrophobicContact CB-CE2 3.82Å; A738-F742 HydrophobicContact CB-CZ 3.34Å
739	T	46.6	Very low	47.4	Very low	82 Å²	82	82.5 Å²	82.5	50%	0.503	43%	0.433	S	S	.	.			trans	-73	90.2	174	50.5	0	0	0	0	111.1	F737	F737-T739 PolarHBondContact O-N 3.23Å
740	F	52.5	Low	48.1	Very low	27 Å²	27	83.6 Å²	83.6	12%	0.118	45%	0.445	C	S	.	.	S	Bend	trans	52.6	135.5	146.6	-52	-69.2	0	0	0	118.8	A738 T795 H836 S921 N922	A738-F740 VanDerWaalsContact C-N 3.34Å; A738-F740 PolarHBondContact O-N 3.28Å; F740-T795 HydrophobicContact CB-CG2 3.63Å; F740-T795 HydrophobicContact CD2-CG2 3.34Å; F740-T795 HydrophobicContact CE2-CG2 4.43Å; F740-T795 HydrophobicContact CG-CG2 3.71Å; F740-H836 AromaticContact CD1-CD2 3.97Å; F740-H836 AromaticContact CD1-CE1 3.94Å; F740-H836 AromaticContact CD1-NE2 3.39Å; F740-H836 WeakPolarHBondContact CD1-NE2 3.41Å; F740-S921 VanDerWaalsContact CE2-O 3.29Å; F740-S921 WeakPolarHBondContact CE2-O 3.26Å; F740-S921 WeakPolarHBondContact CZ-O 3.47Å; F740-N922 HydrophobicContact CD1-CB 3.57Å; F740-N922 HydrophobicContact CD2-CB 3.97Å; F740-N922 HydrophobicContact CE1-CB 3.27Å; F740-N922 HydrophobicContact CE2-CB 3.68Å; F740-N922 HydrophobicContact CG-CB 3.95Å; F740-N922 HydrophobicContact CZ-CB 3.35Å
741	V	51.4	Low	49.2	Very low	34 Å²	34	82.8 Å²	82.8	21%	0.206	44%	0.435	C	S	.	.			trans	64.3	82.4	173.3	171.1	0	0	0	0	110.3	P743 L834	V741-P743 WeakPolarHBondContact O-CD 3.3Å; V741-L834 HydrophobicContact CB-CD1 4.45Å; V741-L834 HydrophobicContact CG1-CB 4.02Å; V741-L834 HydrophobicContact CG1-CD1 3.36Å; V741-L834 HydrophobicContact CG1-CD2 3.6Å; V741-L834 HydrophobicContact CG1-CG 3.81Å; V741-L834 HydrophobicContact CG2-CD1 4.3Å
742	F	51.3	Low	50.7	Low	76 Å²	76	80.9 Å²	80.9	33%	0.333	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	114	168.7	-77.4	-78.2	0	0	0	109.9	A738 L744 L835	A738-F742 HydrophobicContact CB-CE1 4.2Å; A738-F742 HydrophobicContact CB-CE2 3.82Å; A738-F742 HydrophobicContact CB-CZ 3.34Å; F742-L744 HydrophobicContact CB-CD2 4.31Å; F742-L744 HydrophobicContact CB-CG 4.12Å; F742-L744 PolarHBondContact O-N 3.15Å; F742-L835 PolarHBondContact N-O 3.44Å
743	P	52.1	Low	51.9	Low	88 Å²	88	80.8 Å²	80.8	57%	0.571	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	86.7	174.8	33.7	-33.4	0	0	0	109.5	V741 K745 L834	V741-P743 WeakPolarHBondContact O-CD 3.3Å; P743-K745 PolarHBondContact O-N 3.1Å; P743-L834 HydrophobicContact CB-CD2 4.26Å
744	L	54.2	Low	53.6	Low	56 Å²	56	84.7 Å²	84.7	29%	0.293	44%	0.435	S	S	.	.			trans	-81.7	83.6	-174.9	-68.8	180	0	0	0	111	F742 N746 F747 W752 K833 L835	F742-L744 HydrophobicContact CB-CD2 4.31Å; F742-L744 HydrophobicContact CB-CG 4.12Å; F742-L744 PolarHBondContact O-N 3.15Å; L744-N746 PolarHBondContact O-N 3.43Å; L744-F747 HydrophobicContact CB-CB 3.75Å; L744-F747 HydrophobicContact CD1-CB 4.4Å; L744-F747 HydrophobicContact CD1-CD2 3.76Å; L744-F747 PolarHBondContact O-N 3.15Å; L744-W752 HydrophobicContact CD1-CZ2 4.48Å; L744-K833 PolarHBondContact N-O 3.25Å; L744-L835 HydrophobicContact CD1-CD1 3.56Å; L744-L835 HydrophobicContact CD1-CG 4.04Å
745	K	49.4	Very low	55.2	Low	128 Å²	128	83.4 Å²	83.4	56%	0.557	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-22.9	172.9	-70.4	-175.9	177.4	177.6	0	113.7	E493 P743	E493-K745 IonicContact OE1-NZ 2.79Å; P743-K745 PolarHBondContact O-N 3.1Å
746	N	49.9	Very low	57.2	Low	158 Å²	158	82.2 Å²	82.2	85%	0.845	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	38.4	177.6	-62.2	-13.8	0	0	0	113	L744 N748	L744-N746 PolarHBondContact O-N 3.43Å; N746-N748 PolarHBondContact O-N 2.84Å
747	F	58.1	Low	59.2	Low	30 Å²	30	81 Å²	81	13%	0.132	41%	0.41	C	S	.	.			trans	-66.5	96.7	174.6	-178.5	-104.8	0	0	0	111.3	L744 E749 W752 V767 V778 K833 L835	L744-F747 HydrophobicContact CB-CB 3.75Å; L744-F747 HydrophobicContact CD1-CB 4.4Å; L744-F747 HydrophobicContact CD1-CD2 3.76Å; L744-F747 PolarHBondContact O-N 3.15Å; F747-E749 HydrophobicContact CD1-CB 4.09Å; F747-E749 HydrophobicContact CE1-CB 3.53Å; F747-E749 HydrophobicContact CE1-CG 3.77Å; F747-E749 HydrophobicContact CZ-CB 4.24Å; F747-E749 HydrophobicContact CZ-CG 4.29Å; F747-E749 PolarHBondContact O-N 2.97Å; F747-W752 AromaticContact CE2-CD1 3.81Å; F747-W752 AromaticContact CE2-CD2 3.67Å; F747-W752 HydrophobicContact CE2-CD2 3.67Å; F747-W752 AromaticContact CE2-CE2 3.72Å; F747-W752 HydrophobicContact CE2-CE3 4.22Å; F747-W752 AromaticContact CE2-CG 3.77Å; F747-W752 HydrophobicContact CE2-CG 3.77Å; F747-W752 HydrophobicContact CE2-CZ2 4.34Å; F747-W752 AromaticContact CE2-NE1 3.78Å; F747-W752 HydrophobicContact CZ-CB 4.44Å; F747-W752 HydrophobicContact CZ-CD2 4.36Å; F747-W752 HydrophobicContact CZ-CG 4.16Å; F747-V767 HydrophobicContact CZ-CG2 4.34Å; F747-V778 HydrophobicContact CZ-CG2 4.39Å; F747-K833 HydrophobicContact CD1-CB 4.21Å; F747-K833 HydrophobicContact CD1-CD 3.59Å; F747-K833 HydrophobicContact CE1-CD 3.82Å; F747-L835 HydrophobicContact CD2-CD1 4.28Å; F747-L835 HydrophobicContact CE2-CD1 3.99Å; F747-L835 HydrophobicContact CE2-CD2 3.99Å; F747-L835 HydrophobicContact CE2-CG 4.38Å; F747-L835 HydrophobicContact CZ-CD2 4.32Å
748	N	63.3	Low	60.7	Low	75 Å²	75	76.7 Å²	76.7	40%	0.401	39%	0.391	S	S	.	.			trans	-86.3	97.4	166.6	-172.5	3	0	0	0	110.2	N746 Q750 V751	N746-N748 PolarHBondContact O-N 2.84Å; N748-Q750 PolarHBondContact O-N 3.44Å; N748-Q750 VanDerWaalsContact O-N 3.13Å; N748-Q750 VanDerWaalsContact OD1-CB 3.26Å; N748-Q750 WeakPolarHBondContact OD1-CB 3.37Å; N748-Q750 VanDerWaalsContact OD1-CG 3.32Å; N748-Q750 WeakPolarHBondContact OD1-CG 3.42Å; N748-Q750 PolarHBondContact OD1-N 2.97Å; N748-V751 HydrophobicContact CB-CG2 3.97Å; N748-V751 PolarHBondContact O-N 2.85Å
749	E	64	Low	62	Low	78 Å²	78	79 Å²	79	36%	0.364	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-53.8	-26.9	176.4	-165.7	159.8	-147	0	0	113.4	F747 V751 W752 K833	F747-E749 HydrophobicContact CD1-CB 4.09Å; F747-E749 HydrophobicContact CE1-CB 3.53Å; F747-E749 HydrophobicContact CE1-CG 3.77Å; F747-E749 HydrophobicContact CZ-CB 4.24Å; F747-E749 HydrophobicContact CZ-CG 4.29Å; F747-E749 PolarHBondContact O-N 2.97Å; E749-V751 PolarHBondContact O-N 3.41Å; E749-W752 PolarHBondContact O-N 3.06Å; E749-W752 VanDerWaalsContact O-N 3.13Å; E749-K833 IonicContact OE1-NZ 2.6Å; E749-K833 PolarHBondContact OE1-NZ 2.95Å; E749-K833 IonicContact OE2-NZ 2.62Å; E749-K833 PolarHBondContact OE2-NZ 3.37Å
750	Q	64.7	Low	63.2	Low	174 Å²	174	80 Å²	80	81%	0.813	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-66.9	-19.6	178.1	-57.7	172.9	-21.4	0	0	113.8	N748	N748-Q750 PolarHBondContact O-N 3.44Å; N748-Q750 VanDerWaalsContact O-N 3.13Å; N748-Q750 VanDerWaalsContact OD1-CB 3.26Å; N748-Q750 WeakPolarHBondContact OD1-CB 3.37Å; N748-Q750 VanDerWaalsContact OD1-CG 3.32Å; N748-Q750 WeakPolarHBondContact OD1-CG 3.42Å; N748-Q750 PolarHBondContact OD1-N 2.97Å
751	V	68	Low	64.5	Low	82 Å²	82	79.2 Å²	79.2	50%	0.497	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-94.1	-3.7	178.3	-155.9	0	0	0	0	111.3	N748 E749 P770	N748-V751 HydrophobicContact CB-CG2 3.97Å; N748-V751 PolarHBondContact O-N 2.85Å; E749-V751 PolarHBondContact O-N 3.41Å; V751-P770 HydrophobicContact CG1-CG 4.24Å; V751-P770 WeakPolarHBondContact O-CB 3.42Å; V751-P770 WeakPolarHBondContact O-CG 3.49Å
752	W	72.4	Confident	65.6	Low	51 Å²	51	83.2 Å²	83.2	19%	0.193	42%	0.419	C	S	.	.	S	Bend	trans	-108	136	-178.3	-73.8	66.2	0	0	0	110.1	L744 F747 E749 K754 V767 A769 Y776 L835	L744-W752 HydrophobicContact CD1-CZ2 4.48Å; F747-W752 AromaticContact CE2-CD1 3.81Å; F747-W752 AromaticContact CE2-CD2 3.67Å; F747-W752 HydrophobicContact CE2-CD2 3.67Å; F747-W752 AromaticContact CE2-CE2 3.72Å; F747-W752 HydrophobicContact CE2-CE3 4.22Å; F747-W752 AromaticContact CE2-CG 3.77Å; F747-W752 HydrophobicContact CE2-CG 3.77Å; F747-W752 HydrophobicContact CE2-CZ2 4.34Å; F747-W752 AromaticContact CE2-NE1 3.78Å; F747-W752 HydrophobicContact CZ-CB 4.44Å; F747-W752 HydrophobicContact CZ-CD2 4.36Å; F747-W752 HydrophobicContact CZ-CG 4.16Å; E749-W752 PolarHBondContact O-N 3.06Å; E749-W752 VanDerWaalsContact O-N 3.13Å; W752-K754 PolarHBondContact O-N 3.38Å; W752-K754 VanDerWaalsContact O-N 3.13Å; W752-V767 HydrophobicContact CB-CB 4.26Å; W752-V767 HydrophobicContact CD2-CG2 4.43Å; W752-V767 HydrophobicContact CE3-CB 4.03Å; W752-V767 HydrophobicContact CE3-CG2 3.57Å; W752-V767 HydrophobicContact CZ3-CG2 4.09Å; W752-A769 HydrophobicContact CE3-CB 3.99Å; W752-A769 HydrophobicContact CH2-CB 3.48Å; W752-A769 VanDerWaalsContact CH2-CB 3.48Å; W752-A769 HydrophobicContact CZ2-CB 4.11Å; W752-A769 VanDerWaalsContact CZ3-CA 3.5Å; W752-A769 HydrophobicContact CZ3-CB 3.43Å; W752-A769 VanDerWaalsContact CZ3-CB 3.43Å; W752-Y776 HydrophobicContact CH2-CD2 4.22Å; W752-Y776 HydrophobicContact CH2-CE2 4.29Å; W752-Y776 AromaticContact CZ3-CD2 3.61Å; W752-Y776 HydrophobicContact CZ3-CD2 3.61Å; W752-Y776 HydrophobicContact CZ3-CE2 4.04Å; W752-Y776 HydrophobicContact CZ3-CG 4.18Å; W752-L835 HydrophobicContact CE3-CD1 4.27Å; W752-L835 HydrophobicContact CH2-CD1 3.18Å; W752-L835 HydrophobicContact CZ2-CD1 3.69Å; W752-L835 HydrophobicContact CZ3-CD1 3.5Å; W752-L835 VanDerWaalsContact CZ3-CD1 3.5Å
753	N	67.7	Low	66.8	Low	104 Å²	104	83.9 Å²	83.9	56%	0.556	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.4	105	179.1	-69.9	-44.5	0	0	0	108.7	Y755 V767 C768	N753-Y755 PolarHBondContact O-N 3.42Å; N753-Y755 VanDerWaalsContact O-N 3.1Å; N753-V767 CarbonylContact O-C 3.4Å; N753-V767 WeakPolarHBondContact O-CA 3.45Å; N753-C768 HydrophobicContact CB-CB 4.34Å; N753-C768 PolarHBondContact N-O 3.47Å; N753-C768 VanDerWaalsContact N-O 3.07Å; N753-C768 PolarHBondContact O-N 3.44Å
754	K	73.9	Confident	68.1	Low	150 Å²	150	79.7 Å²	79.7	65%	0.652	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	114.6	170.2	-174.2	174.9	-179	176.3	0	108.7	W752	W752-K754 PolarHBondContact O-N 3.38Å; W752-K754 VanDerWaalsContact O-N 3.13Å
755	Y	68.8	Low	69.3	Low	93 Å²	93	77.9 Å²	77.9	37%	0.365	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-32.1	-168.5	-156.7	-112.4	0	0	0	112	Y628 M632 N753 I766 C768 E775	Y628-Y755 AromaticContact CE2-CD1 3.98Å; Y628-Y755 HydrophobicContact CE2-CD1 3.98Å; Y628-Y755 AromaticContact CE2-CE1 3.94Å; Y628-Y755 HydrophobicContact CE2-CE1 3.94Å; Y628-Y755 AromaticContact CZ-CD1 3.95Å; Y628-Y755 AromaticContact CZ-CE1 3.68Å; Y628-Y755 VanDerWaalsContact OH-CD1 3.32Å; Y628-Y755 WeakPolarHBondContact OH-CD1 3.48Å; Y628-Y755 VanDerWaalsContact OH-CE1 3.28Å; Y628-Y755 WeakPolarHBondContact OH-CE1 3.32Å; M632-Y755 HydrophobicContact CE-CE1 4.27Å; N753-Y755 PolarHBondContact O-N 3.42Å; N753-Y755 VanDerWaalsContact O-N 3.1Å; Y755-I766 PolarHBondContact N-O 3.31Å; Y755-C768 HydrophobicContact CD2-CB 4.49Å; Y755-E775 HydrophobicContact CD1-CG 4.05Å; Y755-E775 HydrophobicContact CE1-CG 4.23Å; Y755-E775 WeakPolarHBondContact CE1-OE1 3.47Å
756	G	74.2	Confident	70.8	Confident	21 Å²	21	72.2 Å²	72.2	22%	0.216	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.3	-161.7	176.4	0	0	0	0	0	113.9	I766	G756-I766 PolarHBondContact N-O 3.13Å; G756-I766 PolarHBondContact O-N 3.19Å
757	I	78.1	Confident	72	Confident	75 Å²	75	64.8 Å²	64.8	39%	0.385	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	161.6	165.5	55.3	171.9	0	0	0	107.9	N762 I764	I757-N762 HydrophobicContact CD1-CB 4.35Å; I757-I764 VanDerWaalsContact CA-O 3.29Å; I757-I764 WeakPolarHBondContact CA-O 3.47Å
758	I	75.4	Confident	72.7	Confident	7 Å²	7	63.8 Å²	63.8	4%	0.036	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.4	169.7	-60.7	-176.9	0	0	0	109	W761 I764 I766 V777 I838 A841 L915 I917	I758-W761 HydrophobicContact CB-CB 3.9Å; I758-W761 HydrophobicContact CG2-CB 3.91Å; I758-W761 HydrophobicContact CG2-CG 4.25Å; I758-W761 CarbonylContact O-C 3.5Å; I758-W761 VanDerWaalsContact O-CA 3.3Å; I758-W761 WeakPolarHBondContact O-CA 3.08Å; I758-W761 WeakPolarHBondContact O-CB 3.46Å; I758-W761 PolarHBondContact O-N 3.48Å; I758-I764 HydrophobicContact CD1-CG2 3.89Å; I758-I764 HydrophobicContact CG1-CG2 4.2Å; I758-I764 PolarHBondContact N-O 3.44Å; I758-I764 VanDerWaalsContact N-O 3.17Å; I758-I766 HydrophobicContact CG1-CD1 4.02Å; I758-I766 HydrophobicContact CG1-CG1 4.27Å; I758-V777 HydrophobicContact CD1-CG2 4.12Å; I758-I838 HydrophobicContact CD1-CD1 4.3Å; I758-A841 HydrophobicContact CD1-CB 4.17Å; I758-L915 HydrophobicContact CD1-CD2 3.92Å; I758-L915 HydrophobicContact CG2-CD2 4.35Å; I758-I917 HydrophobicContact CD1-CD1 4.48Å
759	D	65.8	Low	72.8	Confident	70 Å²	70	60.8 Å²	60.8	37%	0.374	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	133.8	176.6	-99.7	40	0	0	0	112.3	A663 R667 W761	A663-D759 HydrophobicContact CB-CB 3.61Å; A663-D759 VanDerWaalsContact CB-CG 3.46Å; A663-D759 WeakPolarHBondContact CB-OD2 3.45Å; R667-D759 IonicContact CZ-OD2 2.78Å; R667-D759 IonicContact NH1-OD2 3.17Å; R667-D759 PolarHBondContact NH1-OD2 2.98Å; R667-D759 IonicContact NH2-OD2 3.72Å; R667-D759 PolarHBondContact NH2-OD2 3.16Å; D759-W761 PolarHBondContact O-N 2.98Å
760	N	72.2	Confident	72.8	Confident	102 Å²	102	59.4 Å²	59.4	55%	0.545	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	10.5	-171.6	-59.7	11.4	0	0	0	114.9	R667 K928	R667-N760 PolarHBondContact NH2-OD1 3.44Å; N760-K928 PolarHBondContact O-NZ 3.27Å
761	W	79.6	Confident	72.8	Confident	12 Å²	12	59.4 Å²	59.4	5%	0.045	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	48.5	-175.7	-73.5	91.8	0	0	0	111.3	I758 D759 E763 I764 I789 H913 L915 I926 K928	I758-W761 HydrophobicContact CB-CB 3.9Å; I758-W761 HydrophobicContact CG2-CB 3.91Å; I758-W761 HydrophobicContact CG2-CG 4.25Å; I758-W761 CarbonylContact O-C 3.5Å; I758-W761 VanDerWaalsContact O-CA 3.3Å; I758-W761 WeakPolarHBondContact O-CA 3.08Å; I758-W761 WeakPolarHBondContact O-CB 3.46Å; I758-W761 PolarHBondContact O-N 3.48Å; D759-W761 PolarHBondContact O-N 2.98Å; W761-E763 PolarHBondContact O-N 2.94Å; W761-I764 HydrophobicContact CB-CD1 4.07Å; W761-I764 HydrophobicContact CB-CG1 4.29Å; W761-I764 HydrophobicContact CD2-CD1 4.18Å; W761-I764 HydrophobicContact CE3-CD1 3.63Å; W761-I764 HydrophobicContact CE3-CG1 4.42Å; W761-I764 HydrophobicContact CG-CD1 4.4Å; W761-I764 HydrophobicContact CZ3-CD1 4.36Å; W761-I764 WeakPolarHBondContact O-CB 3.4Å; W761-I764 PolarHBondContact O-N 3.47Å; W761-I789 HydrophobicContact CE3-CG2 3.86Å; W761-I789 HydrophobicContact CZ3-CG2 3.74Å; W761-H913 WeakPolarHBondContact CH2-O 3.39Å; W761-H913 WeakPolarHBondContact CZ2-O 3.29Å; W761-L915 HydrophobicContact CD2-CB 4.27Å; W761-L915 HydrophobicContact CD2-CD2 4.08Å; W761-L915 HydrophobicContact CE3-CD2 4.43Å; W761-L915 HydrophobicContact CG-CD2 4.24Å; W761-L915 HydrophobicContact CH2-CB 3.77Å; W761-L915 HydrophobicContact CZ2-CB 3.44Å; W761-L915 VanDerWaalsContact CZ2-CB 3.44Å; W761-L915 HydrophobicContact CZ3-CB 4.35Å; W761-I926 HydrophobicContact CH2-CG2 4.46Å; W761-I926 WeakPolarHBondContact CH2-O 3.32Å; W761-I926 HydrophobicContact CZ3-CB 4.4Å; W761-I926 HydrophobicContact CZ3-CG2 3.83Å; W761-K928 VanDerWaalsContact CE2-CE 3.46Å; W761-K928 HydrophobicContact CE3-CG 4.24Å; W761-K928 HydrophobicContact CH2-CD 4.24Å; W761-K928 HydrophobicContact CH2-CG 3.44Å; W761-K928 VanDerWaalsContact CH2-CG 3.44Å; W761-K928 HydrophobicContact CZ2-CD 4.3Å; W761-K928 HydrophobicContact CZ2-CG 3.97Å; W761-K928 HydrophobicContact CZ3-CD 4.44Å; W761-K928 HydrophobicContact CZ3-CG 3.57Å
762	N	74.5	Confident	72.6	Confident	118 Å²	118	57.8 Å²	57.8	63%	0.631	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.9	-19.6	-168.2	-55	5.6	0	0	0	115.9	I757 I764	I757-N762 HydrophobicContact CD1-CB 4.35Å; N762-I764 VanDerWaalsContact C-N 3.27Å
763	E	76.2	Confident	72.2	Confident	89 Å²	89	59.2 Å²	59.2	42%	0.416	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	-20.4	174.1	-54.6	-163	161	0	0	112.6	W761 K788 I789	W761-E763 PolarHBondContact O-N 2.94Å; E763-K788 VanDerWaalsContact OE1-CB 3.31Å; E763-K788 WeakPolarHBondContact OE1-CB 3.47Å; E763-K788 VanDerWaalsContact OE1-CG 3.25Å; E763-K788 WeakPolarHBondContact OE1-CG 3.4Å; E763-K788 WeakPolarHBondContact OE2-CA 3.03Å; E763-K788 PolarHBondContact OE2-N 2.8Å; E763-I789 HydrophobicContact CB-CD1 4.36Å; E763-I789 PolarHBondContact OE2-N 2.78Å
764	I	80.3	Confident	72	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	107	-178.4	-51.7	-174.8	0	0	0	109.2	I757 I758 W761 N762 V777 I789 L915 I926	I757-I764 VanDerWaalsContact CA-O 3.29Å; I757-I764 WeakPolarHBondContact CA-O 3.47Å; I758-I764 HydrophobicContact CD1-CG2 3.89Å; I758-I764 HydrophobicContact CG1-CG2 4.2Å; I758-I764 PolarHBondContact N-O 3.44Å; I758-I764 VanDerWaalsContact N-O 3.17Å; W761-I764 HydrophobicContact CB-CD1 4.07Å; W761-I764 HydrophobicContact CB-CG1 4.29Å; W761-I764 HydrophobicContact CD2-CD1 4.18Å; W761-I764 HydrophobicContact CE3-CD1 3.63Å; W761-I764 HydrophobicContact CE3-CG1 4.42Å; W761-I764 HydrophobicContact CG-CD1 4.4Å; W761-I764 HydrophobicContact CZ3-CD1 4.36Å; W761-I764 WeakPolarHBondContact O-CB 3.4Å; W761-I764 PolarHBondContact O-N 3.47Å; N762-I764 VanDerWaalsContact C-N 3.27Å; I764-V777 HydrophobicContact CG2-CB 4.25Å; I764-V777 HydrophobicContact CG2-CG1 3.38Å; I764-V777 HydrophobicContact CG2-CG2 3.91Å; I764-I789 HydrophobicContact CD1-CD1 4.3Å; I764-I789 HydrophobicContact CG1-CD1 3.76Å; I764-L915 HydrophobicContact CD1-CD2 3.69Å; I764-I926 HydrophobicContact CD1-CD1 3.82Å; I764-I926 HydrophobicContact CD1-CG2 4.29Å
765	S	79.5	Confident	71.8	Confident	18 Å²	18	54.7 Å²	54.7	13%	0.126	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	141	175.2	62.5	0	0	0	0	112	V778	S765-V778 PolarHBondContact O-N 3.27Å
766	I	81	Confident	72.1	Confident	10 Å²	10	52.2 Å²	52.2	5%	0.051	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.9	174.4	-54	176.8	0	0	0	108.2	Y755 G756 I758 E775 Y776 V777	Y755-I766 PolarHBondContact N-O 3.31Å; G756-I766 PolarHBondContact N-O 3.13Å; G756-I766 PolarHBondContact O-N 3.19Å; I758-I766 HydrophobicContact CG1-CD1 4.02Å; I758-I766 HydrophobicContact CG1-CG1 4.27Å; I766-E775 HydrophobicContact CG2-CB 3.98Å; I766-E775 HydrophobicContact CG2-CG 4.27Å; I766-Y776 CarbonylContact C-O 3.55Å; I766-Y776 WeakPolarHBondContact CA-O 3.22Å; I766-V777 HydrophobicContact CG1-CG2 4.19Å
767	V	74.4	Confident	72.3	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.006	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.5	176.2	-64.6	0	0	0	0	110.3	F747 W752 N753 Y776 V778 L835	F747-V767 HydrophobicContact CZ-CG2 4.34Å; W752-V767 HydrophobicContact CB-CB 4.26Å; W752-V767 HydrophobicContact CD2-CG2 4.43Å; W752-V767 HydrophobicContact CE3-CB 4.03Å; W752-V767 HydrophobicContact CE3-CG2 3.57Å; W752-V767 HydrophobicContact CZ3-CG2 4.09Å; N753-V767 CarbonylContact O-C 3.4Å; N753-V767 WeakPolarHBondContact O-CA 3.45Å; V767-Y776 PolarHBondContact N-O 3.48Å; V767-Y776 PolarHBondContact O-N 2.89Å; V767-V778 HydrophobicContact CB-CG2 4.17Å; V767-V778 HydrophobicContact CG1-CG2 3.62Å; V767-V778 HydrophobicContact CG2-CG2 3.45Å; V767-V778 VanDerWaalsContact CG2-CG2 3.45Å; V767-L835 HydrophobicContact CG2-CD2 3.98Å
768	C	72.9	Confident	72.4	Confident	10 Å²	10	48.1 Å²	48.1	7%	0.068	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	133.8	175	-177.6	0	0	0	0	110.3	N753 Y755 T772 Y774	N753-C768 HydrophobicContact CB-CB 4.34Å; N753-C768 PolarHBondContact N-O 3.47Å; N753-C768 VanDerWaalsContact N-O 3.07Å; N753-C768 PolarHBondContact O-N 3.44Å; Y755-C768 HydrophobicContact CD2-CB 4.49Å; C768-T772 PolarHBondContact SG-O 3.26Å; C768-Y774 WeakPolarHBondContact CA-O 3.08Å
769	A	66.5	Low	72.6	Confident	11 Å²	11	47.9 Å²	47.9	9%	0.091	25%	0.249	C	C	.	.			trans	-70.5	136.7	-176.6	0	0	0	0	0	111.2	W752 N771 T772 Y774 Y776	W752-A769 HydrophobicContact CE3-CB 3.99Å; W752-A769 HydrophobicContact CH2-CB 3.48Å; W752-A769 VanDerWaalsContact CH2-CB 3.48Å; W752-A769 HydrophobicContact CZ2-CB 4.11Å; W752-A769 VanDerWaalsContact CZ3-CA 3.5Å; W752-A769 HydrophobicContact CZ3-CB 3.43Å; W752-A769 VanDerWaalsContact CZ3-CB 3.43Å; A769-N771 PolarHBondContact O-N 3.31Å; A769-T772 HydrophobicContact CB-CG2 4.27Å; A769-T772 WeakPolarHBondContact CB-OG1 3.27Å; A769-T772 PolarHBondContact O-N 2.91Å; A769-T772 PolarHBondContact O-OG1 3.04Å; A769-Y774 PolarHBondContact N-O 3.39Å; A769-Y776 HydrophobicContact CB-CD2 4.48Å; A769-Y776 HydrophobicContact CB-CE2 3.93Å
770	P	63.9	Low	72.9	Confident	50 Å²	50	47 Å²	47	33%	0.325	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	136	-175.9	21.4	-33	0	0	0	112.3	V751 T772	V751-P770 HydrophobicContact CG1-CG 4.24Å; V751-P770 WeakPolarHBondContact O-CB 3.42Å; V751-P770 WeakPolarHBondContact O-CG 3.49Å; P770-T772 PolarHBondContact O-N 2.67Å
771	N	63.5	Low	72.7	Confident	174 Å²	174	43.8 Å²	43.8	93%	0.93	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	17.6	-174.1	-50.5	-58.1	0	0	0	115.7	A769	A769-N771 PolarHBondContact O-N 3.31Å
772	T	63.2	Low	71.5	Confident	48 Å²	48	45.2 Å²	45.2	29%	0.294	24%	0.243	S	C	.	.	S	Bend	trans	-127.1	175.3	173.4	81.8	0	0	0	0	111.7	C768 A769 P770 Y774	C768-T772 PolarHBondContact SG-O 3.26Å; A769-T772 HydrophobicContact CB-CG2 4.27Å; A769-T772 WeakPolarHBondContact CB-OG1 3.27Å; A769-T772 PolarHBondContact O-N 2.91Å; A769-T772 PolarHBondContact O-OG1 3.04Å; P770-T772 PolarHBondContact O-N 2.67Å; T772-Y774 HydrophobicContact CG2-CD2 4.08Å; T772-Y774 PolarHBondContact OG1-N 2.92Å; T772-Y774 VanDerWaalsContact OG1-N 3.11Å
773	N	63.9	Low	70.6	Confident	81 Å²	81	46.3 Å²	46.3	43%	0.433	24%	0.242	S	C	.	.			trans	-110.6	16.2	165.2	-63	-5.6	0	0	0	111.7	F638 E775	F638-N773 HydrophobicContact CE1-CB 4.25Å; F638-N773 HydrophobicContact CE2-CB 4.46Å; F638-N773 VanDerWaalsContact CE2-ND2 3.31Å; F638-N773 WeakPolarHBondContact CE2-ND2 3.31Å; F638-N773 HydrophobicContact CZ-CB 3.69Å; F638-N773 VanDerWaalsContact CZ-ND2 3.27Å; F638-N773 WeakPolarHBondContact CZ-ND2 3.49Å; N773-E775 PolarHBondContact O-N 3.18Å
774	Y	64.1	Low	69.8	Low	114 Å²	114	44.2 Å²	44.2	45%	0.447	23%	0.232	S	C	.	.			trans	-82.7	116.8	-178.3	-63.6	-67	0	0	0	110.2	E736 C768 A769 T772 Y776	E736-Y774 HydrophobicContact CG-CE1 4.3Å; E736-Y774 PolarHBondContact OE1-OH 3.14Å; E736-Y774 VanDerWaalsContact OE1-OH 3.06Å; C768-Y774 WeakPolarHBondContact CA-O 3.08Å; A769-Y774 PolarHBondContact N-O 3.39Å; T772-Y774 HydrophobicContact CG2-CD2 4.08Å; T772-Y774 PolarHBondContact OG1-N 2.92Å; T772-Y774 VanDerWaalsContact OG1-N 3.11Å; Y774-Y776 WeakPolarHBondContact O-CD2 2.98Å; Y774-Y776 VanDerWaalsContact O-CE2 3.29Å; Y774-Y776 WeakPolarHBondContact O-CE2 3.42Å
775	E	70.6	Confident	68.5	Low	44 Å²	44	48.5 Å²	48.5	21%	0.206	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	137.7	174.6	-68	175.9	-143.6	0	0	110.8	Y755 I766 N773 I838	Y755-E775 HydrophobicContact CD1-CG 4.05Å; Y755-E775 HydrophobicContact CE1-CG 4.23Å; Y755-E775 WeakPolarHBondContact CE1-OE1 3.47Å; I766-E775 HydrophobicContact CG2-CB 3.98Å; I766-E775 HydrophobicContact CG2-CG 4.27Å; N773-E775 PolarHBondContact O-N 3.18Å; E775-I838 HydrophobicContact CB-CG2 3.54Å; E775-I838 WeakPolarHBondContact O-CG2 3.49Å; E775-I838 PolarHBondContact O-N 3.02Å; E775-I838 VanDerWaalsContact O-N 3.15Å
776	Y	74.9	Confident	67.5	Low	42 Å²	42	51.3 Å²	51.3	17%	0.165	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	138	177.3	-61.2	-98.1	0	0	0	110	W752 I766 V767 A769 Y774 L835 H836	W752-Y776 HydrophobicContact CH2-CD2 4.22Å; W752-Y776 HydrophobicContact CH2-CE2 4.29Å; W752-Y776 AromaticContact CZ3-CD2 3.61Å; W752-Y776 HydrophobicContact CZ3-CD2 3.61Å; W752-Y776 HydrophobicContact CZ3-CE2 4.04Å; W752-Y776 HydrophobicContact CZ3-CG 4.18Å; I766-Y776 CarbonylContact C-O 3.55Å; I766-Y776 WeakPolarHBondContact CA-O 3.22Å; V767-Y776 PolarHBondContact N-O 3.48Å; V767-Y776 PolarHBondContact O-N 2.89Å; A769-Y776 HydrophobicContact CB-CD2 4.48Å; A769-Y776 HydrophobicContact CB-CE2 3.93Å; Y774-Y776 WeakPolarHBondContact O-CD2 2.98Å; Y774-Y776 VanDerWaalsContact O-CE2 3.29Å; Y774-Y776 WeakPolarHBondContact O-CE2 3.42Å; Y776-L835 HydrophobicContact CD1-CB 4.04Å; Y776-L835 HydrophobicContact CG-CB 4.39Å; Y776-L835 HydrophobicContact CG-CD1 4.47Å; Y776-H836 CarbonylContact C-O 3.58Å; Y776-H836 VanDerWaalsContact CA-O 3.3Å; Y776-H836 WeakPolarHBondContact CA-O 3.38Å
777	V	78.5	Confident	66.7	Low	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.5	166.7	157	0	0	0	0	109.5	I758 I764 I766 L779 H836 I838 I917	I758-V777 HydrophobicContact CD1-CG2 4.12Å; I764-V777 HydrophobicContact CG2-CB 4.25Å; I764-V777 HydrophobicContact CG2-CG1 3.38Å; I764-V777 HydrophobicContact CG2-CG2 3.91Å; I766-V777 HydrophobicContact CG1-CG2 4.19Å; V777-L779 HydrophobicContact CG1-CD2 3.59Å; V777-L779 HydrophobicContact CG1-CG 3.96Å; V777-H836 PolarHBondContact N-O 3.44Å; V777-H836 PolarHBondContact O-N 2.88Å; V777-H836 VanDerWaalsContact O-N 3.1Å; V777-I838 HydrophobicContact CG2-CB 4.4Å; V777-I838 HydrophobicContact CG2-CD1 4.18Å; V777-I917 HydrophobicContact CB-CD1 4.14Å; V777-I917 HydrophobicContact CG1-CD1 4Å; V777-I917 HydrophobicContact CG2-CD1 3.9Å
778	V	79.6	Confident	66.9	Low	9 Å²	9	57 Å²	57	6%	0.055	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.2	173.5	-169.6	0	0	0	0	109.5	F747 S765 V767 K833 L835	F747-V778 HydrophobicContact CZ-CG2 4.39Å; S765-V778 PolarHBondContact O-N 3.27Å; V767-V778 HydrophobicContact CB-CG2 4.17Å; V767-V778 HydrophobicContact CG1-CG2 3.62Å; V767-V778 HydrophobicContact CG2-CG2 3.45Å; V767-V778 VanDerWaalsContact CG2-CG2 3.45Å; V778-K833 HydrophobicContact CG1-CB 4.21Å; V778-K833 HydrophobicContact CG1-CD 3.81Å; V778-K833 HydrophobicContact CG1-CG 4.11Å; V778-L835 HydrophobicContact CB-CD2 4.34Å; V778-L835 HydrophobicContact CG1-CD2 4.45Å; V778-L835 HydrophobicContact CG2-CD2 3.86Å
779	L	78.8	Confident	67.5	Low	2 Å²	2	57 Å²	57	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.6	175.1	-52.5	167.8	0	0	0	109.2	V777 F791 K833 L834 H836 L924 I926	V777-L779 HydrophobicContact CG1-CD2 3.59Å; V777-L779 HydrophobicContact CG1-CG 3.96Å; L779-F791 HydrophobicContact CB-CE1 4Å; L779-F791 HydrophobicContact CB-CE2 4.07Å; L779-F791 HydrophobicContact CB-CZ 3.68Å; L779-F791 HydrophobicContact CD1-CD2 4.01Å; L779-F791 HydrophobicContact CD1-CE2 4.02Å; L779-F791 HydrophobicContact CD1-CG 4.4Å; L779-F791 HydrophobicContact CD1-CZ 4.41Å; L779-F791 HydrophobicContact CD2-CD1 4.39Å; L779-F791 HydrophobicContact CD2-CE1 4.45Å; L779-K833 WeakPolarHBondContact O-CA 3.48Å; L779-L834 HydrophobicContact CB-CB 4.3Å; L779-L834 PolarHBondContact N-O 3.37Å; L779-L834 PolarHBondContact O-N 3.35Å; L779-H836 HydrophobicContact CD1-CB 4.37Å; L779-L924 HydrophobicContact CD1-CD2 3.66Å; L779-I926 HydrophobicContact CD2-CD1 3.89Å
780	N	74	Confident	68.4	Low	52 Å²	52	56.9 Å²	56.9	28%	0.278	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.9	179.7	-170.1	-3.5	0	0	0	110.7	A782 Q787	N780-A782 WeakPolarHBondContact OD1-CB 3.27Å; N780-A782 PolarHBondContact OD1-N 2.93Å; N780-Q787 PolarHBondContact O-NE2 3.09Å; N780-Q787 PolarHBondContact O-OE1 3.46Å; N780-Q787 VanDerWaalsContact O-OE1 3.11Å
781	T	67.7	Low	69.4	Low	35 Å²	35	54.8 Å²	54.8	22%	0.215	29%	0.293	C	S	.	.			trans	-109.1	-15.1	172.3	58.2	0	0	0	0	114.1	K783 F791 N832 L834	T781-K783 PolarHBondContact O-N 3.23Å; T781-F791 HydrophobicContact CG2-CZ 4.33Å; T781-N832 PolarHBondContact N-O 2.89Å; T781-N832 VanDerWaalsContact OG1-CB 3.32Å; T781-N832 WeakPolarHBondContact OG1-CB 3.44Å; T781-N832 PolarHBondContact OG1-O 2.6Å; T781-L834 HydrophobicContact CG2-CD1 3.25Å; T781-L834 HydrophobicContact CG2-CD2 4.14Å; T781-L834 HydrophobicContact CG2-CG 3.63Å
782	A	53.5	Low	70.4	Confident	42 Å²	42	46.7 Å²	46.7	35%	0.347	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.7	-168	0	0	0	0	0	113.9	N780	N780-A782 WeakPolarHBondContact OD1-CB 3.27Å; N780-A782 PolarHBondContact OD1-N 2.93Å
783	K	56.4	Low	71	Confident	141 Å²	141	46.6 Å²	46.6	61%	0.613	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-145.8	70.9	175.6	-59.8	179.3	-174.1	169.7	0	110.3	T781 S785 A786 Q787	T781-K783 PolarHBondContact O-N 3.23Å; K783-S785 PolarHBondContact O-N 3.36Å; K783-A786 HydrophobicContact CB-CB 4.06Å; K783-A786 PolarHBondContact O-N 2.78Å; K783-Q787 PolarHBondContact O-NE2 2.83Å
784	E	58	Low	71.7	Confident	45 Å²	45	46.1 Å²	46.1	21%	0.21	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-53.7	-37.6	176.2	-74.7	-165.6	-161.5	0	0	112.2	A786 R790 K901	E784-A786 PolarHBondContact O-N 3.06Å; E784-R790 VanDerWaalsContact O-CZ 3.28Å; E784-R790 PolarHBondContact O-NE 2.72Å; E784-R790 PolarHBondContact O-NH2 3.18Å; E784-R790 IonicContact OE2-NH1 3.76Å; E784-R790 PolarHBondContact OE2-NH1 3.19Å; E784-K901 IonicContact OE1-NZ 3.72Å; E784-K901 PolarHBondContact OE1-NZ 3.18Å; E784-K901 WeakPolarHBondContact OE2-CD 3.38Å; E784-K901 IonicContact OE2-NZ 3.13Å; E784-K901 PolarHBondContact OE2-NZ 2.99Å
785	S	54.9	Low	72.3	Confident	90 Å²	90	41.7 Å²	41.7	63%	0.629	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-73.6	0.4	-178.8	55	0	0	0	0	116.2	K783	K783-S785 PolarHBondContact O-N 3.36Å
786	A	57	Low	72.8	Confident	77 Å²	77	39.7 Å²	39.7	64%	0.636	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-125.1	12.7	-178.5	0	0	0	0	0	113.8	K783 E784	K783-A786 HydrophobicContact CB-CB 4.06Å; K783-A786 PolarHBondContact O-N 2.78Å; E784-A786 PolarHBondContact O-N 3.06Å
787	Q	64.9	Low	72.9	Confident	21 Å²	21	38.2 Å²	38.2	10%	0.098	21%	0.214	C	C	.	.			trans	-104.6	140.2	177.1	-70.9	167.9	66.7	0	0	109.5	N780 K783 I789 Q929	N780-Q787 PolarHBondContact O-NE2 3.09Å; N780-Q787 PolarHBondContact O-OE1 3.46Å; N780-Q787 VanDerWaalsContact O-OE1 3.11Å; K783-Q787 PolarHBondContact O-NE2 2.83Å; Q787-I789 HydrophobicContact CB-CG1 4.3Å; Q787-I789 WeakPolarHBondContact CB-O 3.19Å; Q787-I789 PolarHBondContact O-N 2.9Å; Q787-I789 VanDerWaalsContact O-N 3.16Å; Q787-Q929 PolarHBondContact O-OE1 3.37Å; Q787-Q929 VanDerWaalsContact O-OE1 3.09Å
788	K	78.2	Confident	72.9	Confident	109 Å²	109	42.2 Å²	42.2	47%	0.474	23%	0.231	S	C	.	.	S	Bend	trans	-75.9	6.1	172.4	-57.4	-176.5	176.8	-164.5	0	112.4	E763 K928 Q929 E931	E763-K788 VanDerWaalsContact OE1-CB 3.31Å; E763-K788 WeakPolarHBondContact OE1-CB 3.47Å; E763-K788 VanDerWaalsContact OE1-CG 3.25Å; E763-K788 WeakPolarHBondContact OE1-CG 3.4Å; E763-K788 WeakPolarHBondContact OE2-CA 3.03Å; E763-K788 PolarHBondContact OE2-N 2.8Å; K788-K928 CarbonylContact O-C 3.57Å; K788-K928 WeakPolarHBondContact O-CA 3.4Å; K788-Q929 PolarHBondContact O-N 2.88Å; K788-E931 IonicContact NZ-OE1 3.43Å; K788-E931 PolarHBondContact NZ-OE1 3.08Å
789	I	84.8	Confident	73.2	Confident	9 Å²	9	42.2 Å²	42.2	5%	0.046	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.7	174.2	65	175.3	0	0	0	111.5	W761 E763 I764 Q787 I926 F927	W761-I789 HydrophobicContact CE3-CG2 3.86Å; W761-I789 HydrophobicContact CZ3-CG2 3.74Å; E763-I789 HydrophobicContact CB-CD1 4.36Å; E763-I789 PolarHBondContact OE2-N 2.78Å; I764-I789 HydrophobicContact CD1-CD1 4.3Å; I764-I789 HydrophobicContact CG1-CD1 3.76Å; Q787-I789 HydrophobicContact CB-CG1 4.3Å; Q787-I789 WeakPolarHBondContact CB-O 3.19Å; Q787-I789 PolarHBondContact O-N 2.9Å; Q787-I789 VanDerWaalsContact O-N 3.16Å; I789-I926 HydrophobicContact CB-CG2 3.9Å; I789-I926 HydrophobicContact CD1-CG2 4.43Å; I789-I926 HydrophobicContact CG2-CG2 4.37Å; I789-F927 CarbonylContact C-O 3.53Å; I789-F927 VanDerWaalsContact CA-O 3.29Å; I789-F927 WeakPolarHBondContact CA-O 3.37Å
790	R	85.6	Confident	73.5	Confident	10 Å²	10	42.1 Å²	42.1	4%	0.038	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.4	170.9	-72.2	-67.7	-169.5	120.3	17	110.3	E784 D902 I905 L907 I926 F927	E784-R790 VanDerWaalsContact O-CZ 3.28Å; E784-R790 PolarHBondContact O-NE 2.72Å; E784-R790 PolarHBondContact O-NH2 3.18Å; E784-R790 IonicContact OE2-NH1 3.76Å; E784-R790 PolarHBondContact OE2-NH1 3.19Å; R790-D902 IonicContact CZ-OD2 2.7Å; R790-D902 IonicContact NH1-OD2 3.68Å; R790-D902 IonicContact NH2-OD2 3.55Å; R790-D902 PolarHBondContact NH2-OD2 3.45Å; R790-I905 HydrophobicContact CG-CD1 4.31Å; R790-I905 VanDerWaalsContact NH2-CD1 3.35Å; R790-I905 VanDerWaalsContact NH2-CG1 3.34Å; R790-L907 HydrophobicContact CB-CD2 3.9Å; R790-L907 HydrophobicContact CG-CD2 3.99Å; R790-I926 WeakPolarHBondContact O-CA 3.37Å; R790-F927 PolarHBondContact N-O 2.95Å; R790-F927 PolarHBondContact O-N 3.41Å
791	F	86.4	Confident	73.8	Confident	5 Å²	5	41.5 Å²	41.5	2%	0.022	23%	0.229	C	C	.	.			trans	-152.2	152.7	-174	57.8	-90	0	0	0	110.2	L779 T781 T793 L834 L924 I926	L779-F791 HydrophobicContact CB-CE1 4Å; L779-F791 HydrophobicContact CB-CE2 4.07Å; L779-F791 HydrophobicContact CB-CZ 3.68Å; L779-F791 HydrophobicContact CD1-CD2 4.01Å; L779-F791 HydrophobicContact CD1-CE2 4.02Å; L779-F791 HydrophobicContact CD1-CG 4.4Å; L779-F791 HydrophobicContact CD1-CZ 4.41Å; L779-F791 HydrophobicContact CD2-CD1 4.39Å; L779-F791 HydrophobicContact CD2-CE1 4.45Å; T781-F791 HydrophobicContact CG2-CZ 4.33Å; F791-T793 HydrophobicContact CE2-CG2 4.44Å; F791-L834 HydrophobicContact CE2-CD1 4.02Å; F791-L834 HydrophobicContact CZ-CD1 4.46Å; F791-L924 HydrophobicContact CB-CD1 4.35Å; F791-I926 HydrophobicContact CB-CG1 4.06Å; F791-I926 HydrophobicContact CB-CG2 4.42Å
792	P	83.6	Confident	74.5	Confident	4 Å²	4	42.2 Å²	42.2	3%	0.026	23%	0.231	C	C	.	.			trans	-70.3	139.9	175	32.1	-35	0	0	0	110.2	K794 L799 E897 L924 T925	P792-K794 VanDerWaalsContact C-N 3.3Å; P792-L799 HydrophobicContact CB-CD1 4.07Å; P792-E897 WeakPolarHBondContact CA-OE2 3.34Å; P792-L924 HydrophobicContact CG-CD1 3.92Å; P792-T925 WeakPolarHBondContact CD-O 3.2Å
793	T	76.6	Confident	76.1	Confident	47 Å²	47	41.2 Å²	41.2	29%	0.288	22%	0.218	S	C	.	.	S	Bend	trans	-88.2	0.5	173	39	0	0	0	0	112.8	F791 E897 K901	F791-T793 HydrophobicContact CE2-CG2 4.44Å; T793-E897 WeakPolarHBondContact CA-OE2 3.33Å; T793-E897 PolarHBondContact N-OE2 3.35Å; T793-E897 PolarHBondContact OG1-OE2 3.14Å; T793-K901 VanDerWaalsContact CG2-NZ 3.28Å; T793-K901 VanDerWaalsContact OG1-CE 3.27Å; T793-K901 WeakPolarHBondContact OG1-CE 3.5Å; T793-K901 PolarHBondContact OG1-NZ 3.01Å
794	K	77	Confident	77.4	Confident	70 Å²	70	35.1 Å²	35.1	30%	0.304	19%	0.192	S	C	.	.	S	Bend	trans	-122	150.9	177.8	-60.8	-178.5	-160.1	132.6	0	110.2	P792 K798 L799 N802 E897	P792-K794 VanDerWaalsContact C-N 3.3Å; K794-K798 HydrophobicContact CB-CB 4.23Å; K794-K798 HydrophobicContact CB-CD 4.05Å; K794-K798 HydrophobicContact CB-CG 4.28Å; K794-K798 HydrophobicContact CD-CD 4.01Å; K794-K798 HydrophobicContact CD-CG 4.1Å; K794-K798 HydrophobicContact CG-CD 3.87Å; K794-K798 HydrophobicContact CG-CG 4.36Å; K794-L799 HydrophobicContact CB-CD2 3.89Å; K794-L799 HydrophobicContact CB-CG 3.95Å; K794-L799 HydrophobicContact CD-CD2 4.33Å; K794-N802 WeakPolarHBondContact CD-ND2 3.45Å; K794-N802 PolarHBondContact NZ-ND2 2.87Å; K794-E897 WeakPolarHBondContact CD-OE1 3.19Å; K794-E897 WeakPolarHBondContact CE-OE1 3.15Å; K794-E897 VanDerWaalsContact CG-OE1 3.29Å; K794-E897 WeakPolarHBondContact CG-OE1 3.46Å; K794-E897 PolarHBondContact N-OE2 3.26Å; K794-E897 VanDerWaalsContact N-OE2 3.14Å; K794-E897 IonicContact NZ-OE1 2.98Å; K794-E897 PolarHBondContact NZ-OE1 2.83Å
795	T	77.4	Confident	78.5	Confident	22 Å²	22	37 Å²	37	14%	0.135	20%	0.204	C	C	.	.			trans	-66.9	157.2	172.7	57.1	0	0	0	0	111.6	F740 D797 K798 L799	F740-T795 HydrophobicContact CB-CG2 3.63Å; F740-T795 HydrophobicContact CD2-CG2 3.34Å; F740-T795 HydrophobicContact CE2-CG2 4.43Å; F740-T795 HydrophobicContact CG-CG2 3.71Å; T795-D797 PolarHBondContact O-N 3.14Å; T795-K798 PolarHBondContact O-N 2.9Å; T795-K798 VanDerWaalsContact OG1-CB 3.25Å; T795-K798 WeakPolarHBondContact OG1-CB 3.28Å; T795-K798 PolarHBondContact OG1-N 2.79Å; T795-L799 WeakPolarHBondContact O-CG 3.29Å; T795-L799 PolarHBondContact O-N 2.76Å
796	I	81.2	Confident	79.6	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-51.6	-43.4	172.4	-167.5	-179.1	0	0	0	111.9	K798 L799 L800 N890 N922 W1003	I796-K798 PolarHBondContact O-N 2.72Å; I796-L799 PolarHBondContact O-N 3.09Å; I796-L800 WeakPolarHBondContact O-CB 3.42Å; I796-L800 PolarHBondContact O-N 3.29Å; I796-N890 VanDerWaalsContact CB-OD1 3.29Å; I796-N890 WeakPolarHBondContact CB-OD1 3.25Å; I796-N890 HydrophobicContact CD1-CB 3.55Å; I796-N890 WeakPolarHBondContact CD1-OD1 3.37Å; I796-N890 HydrophobicContact CG1-CB 4.2Å; I796-N890 VanDerWaalsContact CG1-OD1 3.26Å; I796-N890 WeakPolarHBondContact CG1-OD1 3.33Å; I796-N922 PolarHBondContact N-OD1 3.35Å; I796-W1003 HydrophobicContact CD1-CE3 3.63Å; I796-W1003 HydrophobicContact CD1-CZ3 3.57Å; I796-W1003 HydrophobicContact CG2-CB 3.95Å; I796-W1003 HydrophobicContact CG2-CD2 4.37Å; I796-W1003 HydrophobicContact CG2-CE3 3.89Å; I796-W1003 HydrophobicContact CG2-CG 4.46Å
797	D	77.8	Confident	80.4	Confident	10 Å²	10	36.8 Å²	36.8	5%	0.053	18%	0.182	C	C	.	.	H	α-helix	trans	-51.4	-56.3	172.5	173.4	94.9	0	0	0	111.9	T795 L799 L800 T801 M1006 R1010	T795-D797 PolarHBondContact O-N 3.14Å; D797-L799 PolarHBondContact O-N 2.84Å; D797-L800 PolarHBondContact O-N 3.09Å; D797-T801 PolarHBondContact O-N 3.37Å; D797-M1006 HydrophobicContact CB-CE 4.31Å; D797-R1010 VanDerWaalsContact C-NH1 3.34Å; D797-R1010 PolarHBondContact O-NH1 2.64Å; D797-R1010 IonicContact OD1-CZ 2.81Å; D797-R1010 IonicContact OD1-NE 3.5Å; D797-R1010 IonicContact OD1-NH1 3.61Å; D797-R1010 PolarHBondContact OD1-NH1 3.37Å; D797-R1010 VanDerWaalsContact OD1-NH1 3.13Å; D797-R1010 IonicContact OD1-NH2 3.42Å; D797-R1010 PolarHBondContact OD1-NH2 2.67Å; D797-R1010 IonicContact OD2-CZ 2.72Å; D797-R1010 VanDerWaalsContact OD2-CZ 3.24Å; D797-R1010 IonicContact OD2-NH1 3.03Å; D797-R1010 PolarHBondContact OD2-NH1 3.29Å; D797-R1010 IonicContact OD2-NH2 2.71Å; D797-R1010 PolarHBondContact OD2-NH2 3.2Å
798	K	78.4	Confident	80.3	Confident	84 Å²	84	39.3 Å²	39.3	37%	0.365	20%	0.199	S	C	.	.	H	α-helix	trans	-71	-31.9	-176.1	-173.1	-177	173.7	-170.3	0	111.5	K794 T795 I796 N802	K794-K798 HydrophobicContact CB-CB 4.23Å; K794-K798 HydrophobicContact CB-CD 4.05Å; K794-K798 HydrophobicContact CB-CG 4.28Å; K794-K798 HydrophobicContact CD-CD 4.01Å; K794-K798 HydrophobicContact CD-CG 4.1Å; K794-K798 HydrophobicContact CG-CD 3.87Å; K794-K798 HydrophobicContact CG-CG 4.36Å; T795-K798 PolarHBondContact O-N 2.9Å; T795-K798 VanDerWaalsContact OG1-CB 3.25Å; T795-K798 WeakPolarHBondContact OG1-CB 3.28Å; T795-K798 PolarHBondContact OG1-N 2.79Å; I796-K798 PolarHBondContact O-N 2.72Å; K798-N802 PolarHBondContact O-N 3.4Å; K798-N802 PolarHBondContact O-ND2 3.13Å; K798-N802 PolarHBondContact O-OD1 3Å
799	L	84.6	Confident	79	Confident	10 Å²	10	37.7 Å²	37.7	5%	0.052	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-52	172.1	-69.2	169.3	0	0	0	110.6	P792 K794 T795 I796 D797 T801 N802 W803 L893 E897	P792-L799 HydrophobicContact CB-CD1 4.07Å; K794-L799 HydrophobicContact CB-CD2 3.89Å; K794-L799 HydrophobicContact CB-CG 3.95Å; K794-L799 HydrophobicContact CD-CD2 4.33Å; T795-L799 WeakPolarHBondContact O-CG 3.29Å; T795-L799 PolarHBondContact O-N 2.76Å; I796-L799 PolarHBondContact O-N 3.09Å; D797-L799 PolarHBondContact O-N 2.84Å; L799-T801 VanDerWaalsContact C-N 3.33Å; L799-T801 PolarHBondContact O-N 2.62Å; L799-N802 PolarHBondContact O-N 2.87Å; L799-N802 VanDerWaalsContact O-N 3.11Å; L799-W803 PolarHBondContact O-N 3.47Å; L799-L893 HydrophobicContact CB-CB 4.05Å; L799-L893 HydrophobicContact CB-CD1 4.33Å; L799-L893 HydrophobicContact CD1-CB 4.2Å; L799-E897 HydrophobicContact CD2-CB 3.59Å; L799-E897 HydrophobicContact CD2-CG 4.25Å
800	L	84.8	Confident	77	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-41.5	179.2	178.2	59.5	0	0	0	112.3	I796 D797 W803 L804 L889 L893 L974 C1007 R1010 I1011	I796-L800 WeakPolarHBondContact O-CB 3.42Å; I796-L800 PolarHBondContact O-N 3.29Å; D797-L800 PolarHBondContact O-N 3.09Å; L800-W803 WeakPolarHBondContact O-CB 3.31Å; L800-W803 PolarHBondContact O-N 2.97Å; L800-L804 HydrophobicContact CD1-CD1 3.94Å; L800-L804 HydrophobicContact CD1-CG 4.07Å; L800-L804 HydrophobicContact CG-CD1 4.02Å; L800-L804 WeakPolarHBondContact O-CG 3.21Å; L800-L804 PolarHBondContact O-N 3.42Å; L800-L889 HydrophobicContact CD1-CD2 4.48Å; L800-L893 HydrophobicContact CB-CD1 3.99Å; L800-L893 HydrophobicContact CD1-CD1 4.4Å; L800-L974 HydrophobicContact CD1-CD2 3.78Å; L800-C1007 HydrophobicContact CD2-CB 4.12Å; L800-R1010 HydrophobicContact CD2-CB 4.16Å; L800-I1011 HydrophobicContact CD1-CD1 4.32Å; L800-I1011 HydrophobicContact CD1-CG1 4.5Å; L800-I1011 HydrophobicContact CD2-CD1 4.08Å; L800-I1011 HydrophobicContact CD2-CG1 4.29Å
801	T	81	Confident	74.8	Confident	39 Å²	39	51.9 Å²	51.9	24%	0.239	27%	0.269	C	S	.	.	H	α-helix	trans	-65.4	-43.5	173.9	-88.1	0	0	0	0	112.8	D797 L799 W803 L804 D805 R1010	D797-T801 PolarHBondContact O-N 3.37Å; L799-T801 VanDerWaalsContact C-N 3.33Å; L799-T801 PolarHBondContact O-N 2.62Å; T801-W803 PolarHBondContact O-N 2.75Å; T801-L804 PolarHBondContact O-N 3.47Å; T801-D805 WeakPolarHBondContact CG2-OD2 3.48Å; T801-D805 VanDerWaalsContact O-CB 3.28Å; T801-D805 WeakPolarHBondContact O-CB 3.42Å; T801-D805 PolarHBondContact O-N 3.46Å; T801-R1010 WeakPolarHBondContact OG1-CD 3.25Å; T801-R1010 VanDerWaalsContact OG1-CZ 3.28Å; T801-R1010 PolarHBondContact OG1-NE 2.96Å; T801-R1010 PolarHBondContact OG1-NH1 2.89Å
802	N	82.6	Confident	72.3	Confident	49 Å²	49	54.5 Å²	54.5	26%	0.262	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-35.3	176.3	-48.7	-45.9	0	0	0	111	K794 K798 L799 N806	K794-N802 WeakPolarHBondContact CD-ND2 3.45Å; K794-N802 PolarHBondContact NZ-ND2 2.87Å; K798-N802 PolarHBondContact O-N 3.4Å; K798-N802 PolarHBondContact O-ND2 3.13Å; K798-N802 PolarHBondContact O-OD1 3Å; L799-N802 PolarHBondContact O-N 2.87Å; L799-N802 VanDerWaalsContact O-N 3.11Å; N802-N806 VanDerWaalsContact O-CB 3.24Å; N802-N806 WeakPolarHBondContact O-CB 3.27Å; N802-N806 PolarHBondContact O-N 3.24Å; N802-N806 PolarHBondContact O-ND2 3.03Å; N802-N806 VanDerWaalsContact O-ND2 3.14Å
803	W	86	Confident	70	Confident	21 Å²	21	56.6 Å²	56.6	8%	0.08	30%	0.301	C	S	.	.	H	α-helix	trans	-63.1	-56.6	176	-166.4	-95.6	0	0	0	111.4	L799 L800 T801 D805 N806 Q807 L893 N967 I970 N971	L799-W803 PolarHBondContact O-N 3.47Å; L800-W803 WeakPolarHBondContact O-CB 3.31Å; L800-W803 PolarHBondContact O-N 2.97Å; T801-W803 PolarHBondContact O-N 2.75Å; W803-D805 VanDerWaalsContact C-N 3.32Å; W803-D805 PolarHBondContact O-N 2.94Å; W803-N806 WeakPolarHBondContact O-CB 3.33Å; W803-N806 PolarHBondContact O-N 3.37Å; W803-N806 VanDerWaalsContact O-N 3.1Å; W803-Q807 WeakPolarHBondContact O-CG 3.47Å; W803-Q807 PolarHBondContact O-N 2.77Å; W803-L893 HydrophobicContact CB-CD2 4.01Å; W803-L893 HydrophobicContact CD2-CD2 4.2Å; W803-L893 HydrophobicContact CE3-CD2 4.19Å; W803-L893 HydrophobicContact CG-CD2 4.13Å; W803-N967 HydrophobicContact CH2-CB 4.28Å; W803-N967 WeakPolarHBondContact CH2-OD1 3.29Å; W803-N967 HydrophobicContact CZ2-CB 4.32Å; W803-I970 HydrophobicContact CD2-CD1 4.48Å; W803-I970 HydrophobicContact CD2-CG2 3.95Å; W803-I970 VanDerWaalsContact CE2-CG2 3.43Å; W803-I970 HydrophobicContact CE3-CD1 4.14Å; W803-I970 HydrophobicContact CG-CG2 4.27Å; W803-I970 HydrophobicContact CH2-CB 4.27Å; W803-I970 HydrophobicContact CH2-CD1 3.49Å; W803-I970 VanDerWaalsContact CH2-CD1 3.49Å; W803-I970 HydrophobicContact CH2-CG1 4.45Å; W803-I970 HydrophobicContact CH2-CG2 4.46Å; W803-I970 HydrophobicContact CZ2-CB 3.74Å; W803-I970 HydrophobicContact CZ2-CD1 3.87Å; W803-I970 HydrophobicContact CZ2-CG1 4.4Å; W803-I970 HydrophobicContact CZ2-CG2 3.73Å; W803-I970 HydrophobicContact CZ3-CD1 3.65Å; W803-N971 PolarHBondContact NE1-OD1 3.17Å
804	L	84.7	Confident	68.5	Low	13 Å²	13	59 Å²	59	7%	0.068	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-35.2	-177.8	-61.4	172.9	0	0	0	112.5	L800 T801 Q807 T808 L974 Y1014	L800-L804 HydrophobicContact CD1-CD1 3.94Å; L800-L804 HydrophobicContact CD1-CG 4.07Å; L800-L804 HydrophobicContact CG-CD1 4.02Å; L800-L804 WeakPolarHBondContact O-CG 3.21Å; L800-L804 PolarHBondContact O-N 3.42Å; T801-L804 PolarHBondContact O-N 3.47Å; L804-Q807 PolarHBondContact O-N 2.69Å; L804-T808 PolarHBondContact O-N 3.1Å; L804-T808 PolarHBondContact O-OG1 2.89Å; L804-L974 HydrophobicContact CD2-CD1 4.42Å; L804-Y1014 HydrophobicContact CB-CD2 3.89Å; L804-Y1014 HydrophobicContact CB-CE2 3.83Å; L804-Y1014 HydrophobicContact CD1-CD2 4.08Å; L804-Y1014 HydrophobicContact CD1-CG 4.22Å; L804-Y1014 HydrophobicContact CD2-CD1 4.05Å; L804-Y1014 HydrophobicContact CD2-CD2 3.8Å; L804-Y1014 HydrophobicContact CD2-CE1 4.01Å; L804-Y1014 HydrophobicContact CD2-CE2 3.71Å; L804-Y1014 HydrophobicContact CD2-CG 3.95Å; L804-Y1014 HydrophobicContact CG-CD2 4.11Å; L804-Y1014 HydrophobicContact CG-CE2 4.25Å
805	D	80.2	Confident	66.8	Low	86 Å²	86	63.2 Å²	63.2	46%	0.46	34%	0.339	S	S	.	.	H	α-helix	trans	-66.4	-38.8	173	-71.6	-9.5	0	0	0	111.6	T801 W803 T809	T801-D805 WeakPolarHBondContact CG2-OD2 3.48Å; T801-D805 VanDerWaalsContact O-CB 3.28Å; T801-D805 WeakPolarHBondContact O-CB 3.42Å; T801-D805 PolarHBondContact O-N 3.46Å; W803-D805 VanDerWaalsContact C-N 3.32Å; W803-D805 PolarHBondContact O-N 2.94Å; D805-T809 WeakPolarHBondContact O-CB 3.28Å; D805-T809 PolarHBondContact O-N 3.17Å; D805-T809 PolarHBondContact O-OG1 3.39Å
806	N	79.9	Confident	64.8	Low	73 Å²	73	67.6 Å²	67.6	39%	0.39	36%	0.361	S	S	.	.	H	α-helix	trans	-68.4	-31.2	175.8	-79.7	-25.7	0	0	0	112.9	N802 W803	N802-N806 VanDerWaalsContact O-CB 3.24Å; N802-N806 WeakPolarHBondContact O-CB 3.27Å; N802-N806 PolarHBondContact O-N 3.24Å; N802-N806 PolarHBondContact O-ND2 3.03Å; N802-N806 VanDerWaalsContact O-ND2 3.14Å; W803-N806 WeakPolarHBondContact O-CB 3.33Å; W803-N806 PolarHBondContact O-N 3.37Å; W803-N806 VanDerWaalsContact O-N 3.1Å
807	Q	72.7	Confident	62.8	Low	89 Å²	89	74.2 Å²	74.2	42%	0.416	39%	0.386	S	S	.	.	H	α-helix	trans	-77.9	-36.3	176.2	-60	-58.9	-11	0	0	112.3	W803 L804	W803-Q807 WeakPolarHBondContact O-CG 3.47Å; W803-Q807 PolarHBondContact O-N 2.77Å; L804-Q807 PolarHBondContact O-N 2.69Å
808	T	63.1	Low	60.8	Low	74 Å²	74	81.7 Å²	81.7	45%	0.454	42%	0.42	S	S	.	.	H	α-helix	trans	-86.8	-25.4	-176.3	48.7	0	0	0	0	114.4	L804 Y1014	L804-T808 PolarHBondContact O-N 3.1Å; L804-T808 PolarHBondContact O-OG1 2.89Å; T808-Y1014 HydrophobicContact CG2-CD2 4.47Å; T808-Y1014 HydrophobicContact CG2-CE2 3.49Å; T808-Y1014 VanDerWaalsContact CG2-CE2 3.49Å
809	T	50.5	Low	58.7	Low	75 Å²	75	81.8 Å²	81.8	46%	0.46	43%	0.432	S	S	.	.	S	Bend	trans	-91.9	125.1	173.8	61.9	0	0	0	0	110.5	D805 T811	D805-T809 WeakPolarHBondContact O-CB 3.28Å; D805-T809 PolarHBondContact O-N 3.17Å; D805-T809 PolarHBondContact O-OG1 3.39Å; T809-T811 PolarHBondContact O-N 2.81Å
810	K	43.4	Very low	56.2	Low	211 Å²	211	90 Å²	90	92%	0.917	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-52.4	120.5	167.3	-76.2	-163	174.7	-165.8	0	108
811	T	39	Very low	53.7	Low	105 Å²	105	96.7 Å²	96.7	64%	0.644	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-47.6	124.9	-166.2	34.4	0	0	0	0	111.1	T809 S813	T809-T811 PolarHBondContact O-N 2.81Å; T811-S813 PolarHBondContact O-N 2.86Å; T811-S813 VanDerWaalsContact O-N 3.13Å
812	P	33.4	Very low	51.4	Low	61 Å²	61	104.4 Å²	104.4	40%	0.396	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-60.8	123.3	172.9	24.5	-32	0	0	0	107.6
813	S	36.1	Very low	49.2	Very low	48 Å²	48	108.7 Å²	108.7	34%	0.336	55%	0.55	S	S	.	.			trans	-40.7	136.2	177.6	172.5	0	0	0	0	109.4	T811 E815 N816	T811-S813 PolarHBondContact O-N 2.86Å; T811-S813 VanDerWaalsContact O-N 3.13Å; S813-E815 PolarHBondContact O-N 3.39Å; S813-E815 PolarHBondContact OG-OE2 2.84Å; S813-N816 PolarHBondContact O-N 3.11Å
814	P	44.7	Very low	46.6	Very low	97 Å²	97	114.8 Å²	114.8	63%	0.63	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-51.2	-31.3	-176.6	18.4	-31.8	0	0	0	113	N816 R817	P814-N816 PolarHBondContact O-N 3.44Å; P814-R817 WeakPolarHBondContact O-CB 3.4Å; P814-R817 PolarHBondContact O-N 3.33Å
815	E	42	Very low	44.2	Very low	159 Å²	159	119.5 Å²	119.5	74%	0.743	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-56.3	-32.5	174.3	-58	167.7	126.9	0	0	113.8	S813	S813-E815 PolarHBondContact O-N 3.39Å; S813-E815 PolarHBondContact OG-OE2 2.84Å
816	N	35.2	Very low	41.9	Very low	113 Å²	113	122.2 Å²	122.2	60%	0.604	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-88	-3.6	177.8	-89.5	-59.3	0	0	0	114	S813 P814 H818	S813-N816 PolarHBondContact O-N 3.11Å; P814-N816 PolarHBondContact O-N 3.44Å; N816-H818 PolarHBondContact O-N 3.34Å
817	R	39.2	Very low	39.8	Very low	142 Å²	142	125.6 Å²	125.6	54%	0.536	64%	0.642	S	S	.	*	G	3₁₀ helix	trans	-79.6	4.6	172.4	-64.9	-173	174.2	-157.5	-6.4	113.1	P814	P814-R817 WeakPolarHBondContact O-CB 3.4Å; P814-R817 PolarHBondContact O-N 3.33Å
818	H	36.2	Very low	38	Very low	166 Å²	166	130.9 Å²	130.9	77%	0.769	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-125.9	28.4	-171.3	-66.6	-34.1	0	0	0	115.5	N816	N816-H818 PolarHBondContact O-N 3.34Å
819	S	32.6	Very low	36.7	Very low	87 Å²	87	134 Å²	134	61%	0.608	68%	0.683	S	S	*	*			trans	-130.4	-10.4	-175.4	61.9	0	0	0	0	117.7
820	M	33.2	Very low	36.3	Very low	182 Å²	182	133.2 Å²	133.2	90%	0.897	68%	0.681	S	S	*	*	S	Bend	trans	-96.8	111.6	173.1	-71.5	-150.9	172.7	0	0	112.5
821	E	32.7	Very low	36.7	Very low	140 Å²	140	128.7 Å²	128.7	65%	0.654	67%	0.667	S	S	*	*			trans	61.6	48	164.4	-50.3	-142.7	124.4	0	0	118.2	K823	E821-K823 PolarHBondContact O-N 3.23Å; E821-K823 WeakPolarHBondContact OE1-CE 3.47Å; E821-K823 IonicContact OE1-NZ 3.24Å; E821-K823 PolarHBondContact OE1-NZ 3.28Å; E821-K823 IonicContact OE2-NZ 2.9Å
822	K	32.8	Very low	37.7	Very low	202 Å²	202	126.2 Å²	126.2	88%	0.878	65%	0.65	S	S	*	*			trans	-67.4	68.8	134.8	-81.8	-170.4	176.4	179.1	0	109.9	N824	K822-N824 PolarHBondContact O-N 3.01Å
823	K	36.3	Very low	39.3	Very low	139 Å²	139	125.5 Å²	125.5	60%	0.604	64%	0.64	S	S	*	*			trans	-74.3	118.2	161.4	-88.6	172.6	172.6	156.2	0	107.1	E821 N825	E821-K823 PolarHBondContact O-N 3.23Å; E821-K823 WeakPolarHBondContact OE1-CE 3.47Å; E821-K823 IonicContact OE1-NZ 3.24Å; E821-K823 PolarHBondContact OE1-NZ 3.28Å; E821-K823 IonicContact OE2-NZ 2.9Å; K823-N825 PolarHBondContact O-N 3.43Å
824	N	31	Very low	41.1	Very low	148 Å²	148	123.6 Å²	123.6	79%	0.791	63%	0.626	S	S	*	*			trans	-74.6	62.7	178.7	-69.1	-19.4	0	0	0	111.3	K822 T826	K822-N824 PolarHBondContact O-N 3.01Å; N824-T826 PolarHBondContact O-N 3.02Å
825	N	33.6	Very low	42.4	Very low	112 Å²	112	119.1 Å²	119.1	60%	0.599	60%	0.597	S	S	*	*			trans	-80.1	100.1	165.9	-83.2	24.8	0	0	0	108.1	K823 E827	K823-N825 PolarHBondContact O-N 3.43Å; N825-E827 HydrophobicContact CB-CG 4.35Å; N825-E827 PolarHBondContact O-N 3.36Å
826	T	32.7	Very low	43.8	Very low	144 Å²	144	111.7 Å²	111.7	88%	0.883	56%	0.562	S	S	*	*			trans	-74.8	50.7	169.8	-37	0	0	0	0	110.7	N824	N824-T826 PolarHBondContact O-N 3.02Å
827	E	35.5	Very low	45.5	Very low	143 Å²	143	108.3 Å²	108.3	67%	0.668	55%	0.548	S	S	*	.			trans	-70	133.3	171.2	-75.6	-174.6	112.4	0	0	109.1	N825 T829	N825-E827 HydrophobicContact CB-CG 4.35Å; N825-E827 PolarHBondContact O-N 3.36Å; E827-T829 PolarHBondContact O-N 2.99Å
828	K	35.8	Very low	47.2	Very low	200 Å²	200	102.9 Å²	102.9	87%	0.87	53%	0.529	S	S	*	.			trans	-62.6	136.1	179.8	-63.6	176.8	-179.6	178.5	0	109.1	S830	K828-S830 PolarHBondContact O-N 3.41Å
829	T	35.1	Very low	49	Very low	139 Å²	139	98.5 Å²	98.5	85%	0.853	52%	0.517	S	S	*	.			trans	-59.7	99.8	175.1	49.9	0	0	0	0	110.2	E827	E827-T829 PolarHBondContact O-N 2.99Å
830	S	42	Very low	51.2	Low	60 Å²	60	94.7 Å²	94.7	42%	0.42	49%	0.49	S	S	.	.			trans	-76.9	145.7	163.7	32.3	0	0	0	0	108.8	K828 N832	K828-S830 PolarHBondContact O-N 3.41Å; S830-N832 PolarHBondContact O-N 2.91Å; S830-N832 PolarHBondContact OG-OD1 3.26Å
831	D	51.1	Low	53.5	Low	115 Å²	115	86.5 Å²	86.5	62%	0.615	45%	0.451	S	S	*	.			trans	-70.9	82.5	175.9	-70.7	-62.8	0	0	0	110.1	K833	D831-K833 VanDerWaalsContact C-N 3.25Å; D831-K833 PolarHBondContact O-N 3.41Å
832	N	60.8	Low	56.1	Low	54 Å²	54	79.9 Å²	79.9	29%	0.289	42%	0.42	S	S	.	.			trans	-67.9	82.4	-179.5	-74.6	-22.9	0	0	0	110.6	T781 S830	T781-N832 PolarHBondContact N-O 2.89Å; T781-N832 VanDerWaalsContact OG1-CB 3.32Å; T781-N832 WeakPolarHBondContact OG1-CB 3.44Å; T781-N832 PolarHBondContact OG1-O 2.6Å; S830-N832 PolarHBondContact O-N 2.91Å; S830-N832 PolarHBondContact OG-OD1 3.26Å
833	K	66.5	Low	58.8	Low	45 Å²	45	71.5 Å²	71.5	20%	0.196	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138	164.8	-73.7	-178	168.2	-166.1	0	109.7	L744 F747 E749 V778 L779 D831	L744-K833 PolarHBondContact N-O 3.25Å; F747-K833 HydrophobicContact CD1-CB 4.21Å; F747-K833 HydrophobicContact CD1-CD 3.59Å; F747-K833 HydrophobicContact CE1-CD 3.82Å; E749-K833 IonicContact OE1-NZ 2.6Å; E749-K833 PolarHBondContact OE1-NZ 2.95Å; E749-K833 IonicContact OE2-NZ 2.62Å; E749-K833 PolarHBondContact OE2-NZ 3.37Å; V778-K833 HydrophobicContact CG1-CB 4.21Å; V778-K833 HydrophobicContact CG1-CD 3.81Å; V778-K833 HydrophobicContact CG1-CG 4.11Å; L779-K833 WeakPolarHBondContact O-CA 3.48Å; D831-K833 VanDerWaalsContact C-N 3.25Å; D831-K833 PolarHBondContact O-N 3.41Å
834	L	73.3	Confident	61.4	Low	8 Å²	8	64.9 Å²	64.9	4%	0.042	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	145.8	174.3	-51.1	178.2	0	0	0	108.8	V741 P743 L779 T781 F791	V741-L834 HydrophobicContact CB-CD1 4.45Å; V741-L834 HydrophobicContact CG1-CB 4.02Å; V741-L834 HydrophobicContact CG1-CD1 3.36Å; V741-L834 HydrophobicContact CG1-CD2 3.6Å; V741-L834 HydrophobicContact CG1-CG 3.81Å; V741-L834 HydrophobicContact CG2-CD1 4.3Å; P743-L834 HydrophobicContact CB-CD2 4.26Å; L779-L834 HydrophobicContact CB-CB 4.3Å; L779-L834 PolarHBondContact N-O 3.37Å; L779-L834 PolarHBondContact O-N 3.35Å; T781-L834 HydrophobicContact CG2-CD1 3.25Å; T781-L834 HydrophobicContact CG2-CD2 4.14Å; T781-L834 HydrophobicContact CG2-CG 3.63Å; F791-L834 HydrophobicContact CE2-CD1 4.02Å; F791-L834 HydrophobicContact CZ-CD1 4.46Å
835	L	72	Confident	64.1	Low	4 Å²	4	60.9 Å²	60.9	2%	0.021	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.5	168.7	-60.3	-176.8	0	0	0	110.4	F742 L744 F747 W752 V767 Y776 V778	F742-L835 PolarHBondContact N-O 3.44Å; L744-L835 HydrophobicContact CD1-CD1 3.56Å; L744-L835 HydrophobicContact CD1-CG 4.04Å; F747-L835 HydrophobicContact CD2-CD1 4.28Å; F747-L835 HydrophobicContact CE2-CD1 3.99Å; F747-L835 HydrophobicContact CE2-CD2 3.99Å; F747-L835 HydrophobicContact CE2-CG 4.38Å; F747-L835 HydrophobicContact CZ-CD2 4.32Å; W752-L835 HydrophobicContact CE3-CD1 4.27Å; W752-L835 HydrophobicContact CH2-CD1 3.18Å; W752-L835 HydrophobicContact CZ2-CD1 3.69Å; W752-L835 HydrophobicContact CZ3-CD1 3.5Å; W752-L835 VanDerWaalsContact CZ3-CD1 3.5Å; V767-L835 HydrophobicContact CG2-CD2 3.98Å; Y776-L835 HydrophobicContact CD1-CB 4.04Å; Y776-L835 HydrophobicContact CG-CB 4.39Å; Y776-L835 HydrophobicContact CG-CD1 4.47Å; V778-L835 HydrophobicContact CB-CD2 4.34Å; V778-L835 HydrophobicContact CG1-CD2 4.45Å; V778-L835 HydrophobicContact CG2-CD2 3.86Å
836	H	71.7	Confident	66.6	Low	2 Å²	2	57.1 Å²	57.1	1%	0.009	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.9	166.7	-164.9	-70.7	0	0	0	108	F740 Y776 V777 L779 N922 L924	F740-H836 AromaticContact CD1-CD2 3.97Å; F740-H836 AromaticContact CD1-CE1 3.94Å; F740-H836 AromaticContact CD1-NE2 3.39Å; F740-H836 WeakPolarHBondContact CD1-NE2 3.41Å; Y776-H836 CarbonylContact C-O 3.58Å; Y776-H836 VanDerWaalsContact CA-O 3.3Å; Y776-H836 WeakPolarHBondContact CA-O 3.38Å; V777-H836 PolarHBondContact N-O 3.44Å; V777-H836 PolarHBondContact O-N 2.88Å; V777-H836 VanDerWaalsContact O-N 3.1Å; L779-H836 HydrophobicContact CD1-CB 4.37Å; H836-N922 PolarHBondContact NE2-ND2 3.07Å; H836-L924 HydrophobicContact CB-CD2 4.16Å
837	S	72	Confident	69.2	Low	43 Å²	43	50.4 Å²	50.4	30%	0.301	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	147.7	173.9	42	0	0	0	0	110.5	T919	S837-T919 VanDerWaalsContact O-CG2 3.27Å; S837-T919 WeakPolarHBondContact O-CG2 3.29Å
838	I	74.2	Confident	71.8	Confident	28 Å²	28	44.3 Å²	44.3	14%	0.144	25%	0.246	C	C	.	.			trans	-117.1	138.6	174.3	178.7	163.8	0	0	0	109.5	I758 E775 V777 A841 I917	I758-I838 HydrophobicContact CD1-CD1 4.3Å; E775-I838 HydrophobicContact CB-CG2 3.54Å; E775-I838 WeakPolarHBondContact O-CG2 3.49Å; E775-I838 PolarHBondContact O-N 3.02Å; E775-I838 VanDerWaalsContact O-N 3.15Å; V777-I838 HydrophobicContact CG2-CB 4.4Å; V777-I838 HydrophobicContact CG2-CD1 4.18Å; I838-A841 HydrophobicContact CD1-CB 3.86Å; I838-I917 HydrophobicContact CB-CG2 4.19Å; I838-I917 HydrophobicContact CG1-CG2 4.17Å
839	S	74.2	Confident	74.2	Confident	74 Å²	74	36.6 Å²	36.6	52%	0.517	21%	0.214	S	C	.	.	S	Bend	trans	-128.2	-38.6	171.8	-50.5	0	0	0	0	110.4	L918	S839-L918 WeakPolarHBondContact CB-O 3.46Å; S839-L918 PolarHBondContact N-O 2.81Å
840	L	77.8	Confident	76.5	Confident	7 Å²	7	30.4 Å²	30.4	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	142.9	165.5	176	63.8	0	0	0	109.4	V661 L677 L681 M684 I917 L918	V661-L840 HydrophobicContact CB-CD1 3.59Å; V661-L840 HydrophobicContact CG1-CD1 3.94Å; V661-L840 HydrophobicContact CG2-CD1 3.53Å; L677-L840 HydrophobicContact CD1-CD1 4.22Å; L677-L840 HydrophobicContact CD1-CD2 3.73Å; L681-L840 HydrophobicContact CD2-CD2 4.18Å; M684-L840 HydrophobicContact CE-CB 3.64Å; M684-L840 HydrophobicContact CE-CD2 3.55Å; M684-L840 HydrophobicContact CE-CG 4.24Å; M684-L840 HydrophobicContact SD-CB 3.64Å; L840-I917 CarbonylContact O-C 3.5Å; L840-I917 WeakPolarHBondContact O-CA 3.02Å; L840-L918 HydrophobicContact CB-CB 4.21Å; L840-L918 HydrophobicContact CD2-CD1 4.1Å; L840-L918 PolarHBondContact N-O 3.02Å; L840-L918 PolarHBondContact O-N 2.87Å
841	A	83.2	Confident	78.5	Confident	10 Å²	10	28 Å²	28	8%	0.083	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.2	160.1	0	0	0	0	0	108.6	M666 I758 I838 L915 L916	M666-A841 HydrophobicContact SD-CB 4.29Å; I758-A841 HydrophobicContact CD1-CB 4.17Å; I838-A841 HydrophobicContact CD1-CB 3.86Å; A841-L915 HydrophobicContact CB-CD1 4.33Å; A841-L916 WeakPolarHBondContact CA-O 3.45Å
842	V	86.1	Confident	80	Confident	1 Å²	1	26.1 Å²	26.1	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	147	176.8	69.1	0	0	0	0	109.5	L677 L847 L916 L918	L677-V842 HydrophobicContact CD1-CG2 4.31Å; L677-V842 HydrophobicContact CD2-CG2 4.14Å; V842-L847 HydrophobicContact CG1-CB 4.17Å; V842-L847 HydrophobicContact CG1-CD1 4.44Å; V842-L847 HydrophobicContact CG1-CD2 4.28Å; V842-L847 HydrophobicContact CG2-CB 4.28Å; V842-L916 HydrophobicContact CG1-CB 4.1Å; V842-L916 PolarHBondContact N-O 2.92Å; V842-L916 PolarHBondContact O-N 3.35Å; V842-L918 HydrophobicContact CG1-CD1 4.01Å
843	T	89.1	Confident	80.9	Confident	25 Å²	25	26.9 Å²	26.9	15%	0.153	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	155.5	170	56.7	0	0	0	0	110.4	K845 S846 L847 I914	T843-K845 VanDerWaalsContact C-N 3.29Å; T843-K845 PolarHBondContact O-N 3.06Å; T843-S846 PolarHBondContact O-N 3.13Å; T843-S846 WeakPolarHBondContact OG1-CB 3.32Å; T843-S846 PolarHBondContact OG1-N 3.01Å; T843-S846 PolarHBondContact OG1-OG 2.91Å; T843-S846 VanDerWaalsContact OG1-OG 3.06Å; T843-L847 PolarHBondContact O-N 3.09Å; T843-L847 VanDerWaalsContact O-N 3.17Å; T843-I914 CarbonylContact C-O 3.21Å; T843-I914 WeakPolarHBondContact CA-O 3.36Å
844	L	90.9	Very high	81.3	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.9	-42.2	175.3	178.3	63.6	0	0	0	110.9	L847 L848 I887 V891 P911 I914 L916 L955 L959	L844-L847 PolarHBondContact O-N 3.49Å; L844-L848 HydrophobicContact CD1-CD1 4.14Å; L844-L848 HydrophobicContact CD1-CD2 4.47Å; L844-L848 HydrophobicContact CD1-CG 4.07Å; L844-L848 HydrophobicContact CG-CD1 3.91Å; L844-L848 HydrophobicContact CG-CG 4.27Å; L844-L848 WeakPolarHBondContact O-CG 3.43Å; L844-L848 PolarHBondContact O-N 3.16Å; L844-I887 HydrophobicContact CD1-CG2 4.29Å; L844-V891 HydrophobicContact CD1-CG2 4.29Å; L844-V891 HydrophobicContact CD2-CG1 4.49Å; L844-V891 HydrophobicContact CD2-CG2 4.49Å; L844-P911 HydrophobicContact CB-CB 4.23Å; L844-P911 WeakPolarHBondContact CB-O 2.75Å; L844-P911 HydrophobicContact CD2-CB 4.15Å; L844-P911 HydrophobicContact CD2-CG 4.49Å; L844-P911 HydrophobicContact CG-CB 4.14Å; L844-P911 PolarHBondContact N-O 3.35Å; L844-I914 HydrophobicContact CB-CB 4Å; L844-I914 HydrophobicContact CB-CG2 4.1Å; L844-I914 HydrophobicContact CD2-CB 4.37Å; L844-I914 HydrophobicContact CD2-CD1 3.95Å; L844-I914 HydrophobicContact CD2-CG2 4.34Å; L844-I914 PolarHBondContact N-O 2.94Å; L844-L916 HydrophobicContact CD1-CD1 4.08Å; L844-L955 HydrophobicContact CD2-CD1 3.8Å; L844-L959 HydrophobicContact CD1-CD2 4.2Å; L844-L959 HydrophobicContact CD2-CD2 4.11Å
845	K	89.4	Confident	81.4	Confident	65 Å²	65	30 Å²	30	28%	0.283	16%	0.159	S	C	.	.	H	α-helix	trans	-56.8	-54.9	174.9	-173.1	-177.5	179.2	-170.9	0	112.4	T843 L847 L848 N849 P911 E912	T843-K845 VanDerWaalsContact C-N 3.29Å; T843-K845 PolarHBondContact O-N 3.06Å; K845-L847 PolarHBondContact O-N 3.44Å; K845-L847 VanDerWaalsContact O-N 3.12Å; K845-L848 PolarHBondContact O-N 2.87Å; K845-L848 VanDerWaalsContact O-N 3.08Å; K845-N849 WeakPolarHBondContact CG-OD1 3.32Å; K845-N849 WeakPolarHBondContact O-CB 3.41Å; K845-N849 PolarHBondContact O-N 3.23Å; K845-N849 PolarHBondContact O-OD1 3.22Å; K845-P911 HydrophobicContact CB-CB 4.01Å; K845-P911 PolarHBondContact N-O 2.95Å; K845-E912 HydrophobicContact CB-CG 3.97Å; K845-E912 HydrophobicContact CD-CG 3.42Å; K845-E912 VanDerWaalsContact CD-CG 3.42Å; K845-E912 WeakPolarHBondContact CD-OE1 3.28Å; K845-E912 WeakPolarHBondContact CE-OE1 3.37Å; K845-E912 HydrophobicContact CG-CG 4.32Å; K845-E912 IonicContact NZ-OE1 3.41Å; K845-E912 PolarHBondContact NZ-OE1 3.29Å
846	S	85.7	Confident	81.6	Confident	33 Å²	33	35.8 Å²	35.8	23%	0.231	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-24.2	-176.8	-61.3	0	0	0	0	112.6	M666 T843	M666-S846 PolarHBondContact O-OG 3.43Å; T843-S846 PolarHBondContact O-N 3.13Å; T843-S846 WeakPolarHBondContact OG1-CB 3.32Å; T843-S846 PolarHBondContact OG1-N 3.01Å; T843-S846 PolarHBondContact OG1-OG 2.91Å; T843-S846 VanDerWaalsContact OG1-OG 3.06Å
847	L	86.7	Confident	81.6	Confident	3 Å²	3	40 Å²	40	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-80.2	-40.3	172.7	-168.9	64.3	0	0	0	112.9	L681 V842 T843 L844 K845 L850 F851 F883 I887 L916 L918	L681-L847 HydrophobicContact CD1-CD1 4.27Å; V842-L847 HydrophobicContact CG1-CB 4.17Å; V842-L847 HydrophobicContact CG1-CD1 4.44Å; V842-L847 HydrophobicContact CG1-CD2 4.28Å; V842-L847 HydrophobicContact CG2-CB 4.28Å; T843-L847 PolarHBondContact O-N 3.09Å; T843-L847 VanDerWaalsContact O-N 3.17Å; L844-L847 PolarHBondContact O-N 3.49Å; K845-L847 PolarHBondContact O-N 3.44Å; K845-L847 VanDerWaalsContact O-N 3.12Å; L847-L850 WeakPolarHBondContact O-CB 3.25Å; L847-L850 PolarHBondContact O-N 3.26Å; L847-F851 HydrophobicContact CD1-CD2 4.49Å; L847-F851 HydrophobicContact CD1-CE2 3.64Å; L847-F851 HydrophobicContact CD1-CZ 4.29Å; L847-F851 HydrophobicContact CG-CD2 4.39Å; L847-F851 HydrophobicContact CG-CE2 3.85Å; L847-F851 WeakPolarHBondContact O-CD2 3.49Å; L847-F883 HydrophobicContact CD1-CE1 4.42Å; L847-F883 HydrophobicContact CD2-CE1 4.28Å; L847-F883 HydrophobicContact CD2-CZ 4.43Å; L847-I887 HydrophobicContact CD2-CD1 4.48Å; L847-I887 HydrophobicContact CD2-CG1 4.34Å; L847-I887 HydrophobicContact CD2-CG2 4.25Å; L847-L916 HydrophobicContact CD2-CD1 3.53Å; L847-L918 HydrophobicContact CD2-CD1 4.5Å
848	L	89.4	Confident	81.4	Confident	15 Å²	15	38.8 Å²	38.8	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-64.4	-51.3	175.3	-69.8	174	0	0	0	111.2	L844 K845 L850 F851 E852 L884	L844-L848 HydrophobicContact CD1-CD1 4.14Å; L844-L848 HydrophobicContact CD1-CD2 4.47Å; L844-L848 HydrophobicContact CD1-CG 4.07Å; L844-L848 HydrophobicContact CG-CD1 3.91Å; L844-L848 HydrophobicContact CG-CG 4.27Å; L844-L848 WeakPolarHBondContact O-CG 3.43Å; L844-L848 PolarHBondContact O-N 3.16Å; K845-L848 PolarHBondContact O-N 2.87Å; K845-L848 VanDerWaalsContact O-N 3.08Å; L848-L850 PolarHBondContact O-N 2.81Å; L848-F851 PolarHBondContact O-N 2.82Å; L848-E852 PolarHBondContact O-N 3.42Å; L848-L884 HydrophobicContact CD2-CD1 3.83Å
849	N	86.2	Confident	81.3	Confident	37 Å²	37	43.1 Å²	43.1	20%	0.198	22%	0.215	C	C	.	.	H	α-helix	trans	-56	-26	177.5	-69	34.9	0	0	0	112.6	E669 K845 K853	E669-N849 PolarHBondContact OE1-ND2 3.16Å; K845-N849 WeakPolarHBondContact CG-OD1 3.32Å; K845-N849 WeakPolarHBondContact O-CB 3.41Å; K845-N849 PolarHBondContact O-N 3.23Å; K845-N849 PolarHBondContact O-OD1 3.22Å; N849-K853 WeakPolarHBondContact O-CB 3.37Å; N849-K853 VanDerWaalsContact O-CG 3.3Å; N849-K853 WeakPolarHBondContact O-CG 3.19Å; N849-K853 PolarHBondContact O-N 3.11Å
850	L	84.1	Confident	81	Confident	9 Å²	9	42.5 Å²	42.5	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-70.6	-43.7	175.7	-170.3	74.6	0	0	0	112.1	S674 L677 K678 L681 L847 L848 H854	S674-L850 WeakPolarHBondContact OG-CD1 3.18Å; L677-L850 HydrophobicContact CB-CD1 4.47Å; L677-L850 HydrophobicContact CB-CD2 4.44Å; L677-L850 HydrophobicContact CD2-CB 4.48Å; L677-L850 HydrophobicContact CD2-CD1 4.24Å; L677-L850 HydrophobicContact CD2-CD2 3.85Å; L677-L850 HydrophobicContact CD2-CG 4.43Å; L677-L850 HydrophobicContact CG-CD2 3.85Å; K678-L850 HydrophobicContact CG-CD1 4.09Å; K678-L850 HydrophobicContact CG-CD2 4.3Å; K678-L850 HydrophobicContact CG-CG 4.43Å; L681-L850 HydrophobicContact CD1-CD2 3.64Å; L847-L850 WeakPolarHBondContact O-CB 3.25Å; L847-L850 PolarHBondContact O-N 3.26Å; L848-L850 PolarHBondContact O-N 2.81Å; L850-H854 WeakPolarHBondContact O-CB 3.26Å; L850-H854 PolarHBondContact O-N 3.18Å
851	F	83.4	Confident	80.3	Confident	9 Å²	9	46 Å²	46	4%	0.039	23%	0.23	C	C	.	.	H	α-helix	trans	-80.8	-28.3	-178.6	-65.7	-61	0	0	0	112.6	L681 L691 L847 L848 H854 K855 V880 F883 L884	L681-F851 HydrophobicContact CD1-CZ 4.23Å; L691-F851 HydrophobicContact CD2-CE1 4.23Å; L847-F851 HydrophobicContact CD1-CD2 4.49Å; L847-F851 HydrophobicContact CD1-CE2 3.64Å; L847-F851 HydrophobicContact CD1-CZ 4.29Å; L847-F851 HydrophobicContact CG-CD2 4.39Å; L847-F851 HydrophobicContact CG-CE2 3.85Å; L847-F851 WeakPolarHBondContact O-CD2 3.49Å; L848-F851 PolarHBondContact O-N 2.82Å; F851-H854 PolarHBondContact O-N 2.79Å; F851-K855 VanDerWaalsContact O-CB 3.27Å; F851-K855 WeakPolarHBondContact O-CB 3.37Å; F851-K855 PolarHBondContact O-N 3.07Å; F851-V880 HydrophobicContact CB-CG1 4.48Å; F851-V880 HydrophobicContact CD1-CG1 3.52Å; F851-V880 HydrophobicContact CE1-CG1 4.07Å; F851-V880 HydrophobicContact CG-CG1 4.22Å; F851-F883 HydrophobicContact CE1-CD1 4.38Å; F851-F883 AromaticContact CE2-CD1 3.72Å; F851-F883 HydrophobicContact CE2-CD1 3.72Å; F851-F883 AromaticContact CE2-CE1 3.62Å; F851-F883 HydrophobicContact CE2-CE1 3.62Å; F851-F883 AromaticContact CZ-CD1 3.46Å; F851-F883 HydrophobicContact CZ-CD1 3.46Å; F851-F883 VanDerWaalsContact CZ-CD1 3.46Å; F851-F883 AromaticContact CZ-CE1 3.61Å; F851-F883 HydrophobicContact CZ-CE1 3.61Å; F851-L884 HydrophobicContact CD2-CD1 4.27Å
852	E	82.6	Confident	79.3	Confident	77 Å²	77	47.6 Å²	47.6	36%	0.36	24%	0.244	S	C	.	.	H	α-helix	trans	-60.9	-52.7	167.5	-71.3	170.4	173.5	0	0	110.5	L848 H854 K855 E856 H960	L848-E852 PolarHBondContact O-N 3.42Å; E852-H854 VanDerWaalsContact C-N 3.31Å; E852-H854 PolarHBondContact O-N 3.25Å; E852-K855 WeakPolarHBondContact O-CB 3.29Å; E852-K855 PolarHBondContact O-N 3.3Å; E852-E856 WeakPolarHBondContact O-CG 3.35Å; E852-E856 PolarHBondContact O-N 3.06Å; E852-H960 IonicContact OE1-CE1 2.72Å; E852-H960 PolarHBondContact OE1-CE1 3.48Å
853	K	79.6	Confident	78.2	Confident	70 Å²	70	55.3 Å²	55.3	30%	0.304	28%	0.28	S	S	.	.	H	α-helix	trans	-57.9	-40.4	174.1	-73.6	174	179.4	174.5	0	112.4	E669 N849 K855 E856 E857	E669-K853 PolarHBondContact O-NZ 3.1Å; N849-K853 WeakPolarHBondContact O-CB 3.37Å; N849-K853 VanDerWaalsContact O-CG 3.3Å; N849-K853 WeakPolarHBondContact O-CG 3.19Å; N849-K853 PolarHBondContact O-N 3.11Å; K853-K855 VanDerWaalsContact C-N 3.32Å; K853-K855 PolarHBondContact O-N 3.37Å; K853-E856 PolarHBondContact O-N 3.36Å; K853-E857 WeakPolarHBondContact O-CB 3.47Å; K853-E857 WeakPolarHBondContact O-CG 3.49Å; K853-E857 PolarHBondContact O-N 3.38Å
854	H	75.1	Confident	76.9	Confident	10 Å²	10	57.9 Å²	57.9	5%	0.046	30%	0.299	C	S	.	.	H	α-helix	trans	-62	-38.5	174.4	-166.9	-52	0	0	0	112.8	L850 F851 E852 E857 S858	L850-H854 WeakPolarHBondContact O-CB 3.26Å; L850-H854 PolarHBondContact O-N 3.18Å; F851-H854 PolarHBondContact O-N 2.79Å; E852-H854 VanDerWaalsContact C-N 3.31Å; E852-H854 PolarHBondContact O-N 3.25Å; H854-E857 WeakPolarHBondContact CA-OE2 3.3Å; H854-S858 PolarHBondContact ND1-OG 2.88Å; H854-S858 WeakPolarHBondContact O-CB 3.39Å; H854-S858 PolarHBondContact O-N 2.83Å; H854-S858 PolarHBondContact O-OG 3.48Å
855	K	75.4	Confident	75	Confident	108 Å²	108	60.2 Å²	60.2	47%	0.47	32%	0.323	S	S	.	.	H	α-helix	trans	-72.8	-29.6	178.8	-172.5	174.8	-176.6	173	0	112.2	F851 E852 K853 K859	F851-K855 VanDerWaalsContact O-CB 3.27Å; F851-K855 WeakPolarHBondContact O-CB 3.37Å; F851-K855 PolarHBondContact O-N 3.07Å; E852-K855 WeakPolarHBondContact O-CB 3.29Å; E852-K855 PolarHBondContact O-N 3.3Å; K853-K855 VanDerWaalsContact C-N 3.32Å; K853-K855 PolarHBondContact O-N 3.37Å; K855-K859 VanDerWaalsContact O-CG 3.28Å; K855-K859 WeakPolarHBondContact O-CG 3.32Å; K855-K859 PolarHBondContact O-N 3Å
856	E	77.2	Confident	73.4	Confident	126 Å²	126	62.9 Å²	62.9	59%	0.589	34%	0.336	S	S	*	.	H	α-helix	trans	-72.2	-48.4	170.4	-68.4	174	158.5	0	0	111.5	E852 K853 S858 K859 A860	E852-E856 WeakPolarHBondContact O-CG 3.35Å; E852-E856 PolarHBondContact O-N 3.06Å; K853-E856 PolarHBondContact O-N 3.36Å; E856-S858 VanDerWaalsContact C-N 3.32Å; E856-S858 PolarHBondContact O-N 2.82Å; E856-K859 PolarHBondContact O-N 3.01Å; E856-K859 VanDerWaalsContact O-N 3.13Å; E856-A860 PolarHBondContact O-N 3.05Å
857	E	72.1	Confident	71.8	Confident	90 Å²	90	68.9 Å²	68.9	42%	0.421	36%	0.361	S	S	.	.	H	α-helix	trans	-51.3	-50.4	172.6	-72.8	164.3	170.2	0	0	110.7	K678 K853 H854 K859 A860 E861	K678-E857 IonicContact NZ-OE1 2.67Å; K678-E857 PolarHBondContact NZ-OE1 2.94Å; K678-E857 IonicContact NZ-OE2 2.76Å; K678-E857 PolarHBondContact NZ-OE2 3.34Å; K853-E857 WeakPolarHBondContact O-CB 3.47Å; K853-E857 WeakPolarHBondContact O-CG 3.49Å; K853-E857 PolarHBondContact O-N 3.38Å; H854-E857 WeakPolarHBondContact CA-OE2 3.3Å; E857-K859 VanDerWaalsContact C-N 3.33Å; E857-K859 PolarHBondContact O-N 2.89Å; E857-A860 PolarHBondContact O-N 3.48Å; E857-E861 PolarHBondContact O-N 3.28Å; E857-E861 VanDerWaalsContact O-N 3.14Å
858	S	67.9	Low	70	Confident	17 Å²	17	77.5 Å²	77.5	12%	0.119	40%	0.401	C	S	.	.	H	α-helix	trans	-68.2	-24.8	-179.7	-59.5	0	0	0	0	114.5	H854 E856 A862	H854-S858 PolarHBondContact ND1-OG 2.88Å; H854-S858 WeakPolarHBondContact O-CB 3.39Å; H854-S858 PolarHBondContact O-N 2.83Å; H854-S858 PolarHBondContact O-OG 3.48Å; E856-S858 VanDerWaalsContact C-N 3.32Å; E856-S858 PolarHBondContact O-N 2.82Å; S858-A862 WeakPolarHBondContact O-CB 3.37Å; S858-A862 PolarHBondContact O-N 3.21Å
859	K	70.6	Confident	68.2	Low	120 Å²	120	81 Å²	81	52%	0.522	42%	0.417	S	S	.	.	H	α-helix	trans	-74.4	-45.7	172.9	-81.8	172.9	173.8	-172.6	0	111.5	K855 E856 E857 E861 A862 E863	K855-K859 VanDerWaalsContact O-CG 3.28Å; K855-K859 WeakPolarHBondContact O-CG 3.32Å; K855-K859 PolarHBondContact O-N 3Å; E856-K859 PolarHBondContact O-N 3.01Å; E856-K859 VanDerWaalsContact O-N 3.13Å; E857-K859 VanDerWaalsContact C-N 3.33Å; E857-K859 PolarHBondContact O-N 2.89Å; K859-E861 VanDerWaalsContact C-N 3.28Å; K859-E861 PolarHBondContact O-N 2.96Å; K859-A862 PolarHBondContact O-N 3.22Å; K859-E863 WeakPolarHBondContact O-CG 3.45Å; K859-E863 PolarHBondContact O-N 3.3Å
860	A	69.5	Low	66.6	Low	61 Å²	61	84.5 Å²	84.5	50%	0.504	43%	0.432	S	S	.	.	H	α-helix	trans	-61.9	-37.8	179	0	0	0	0	0	111.8	E856 E857 E863 S864	E856-A860 PolarHBondContact O-N 3.05Å; E857-A860 PolarHBondContact O-N 3.48Å; A860-E863 PolarHBondContact O-N 2.81Å; A860-S864 PolarHBondContact O-N 2.85Å
861	E	62.7	Low	65.1	Low	79 Å²	79	91.8 Å²	91.8	37%	0.369	47%	0.465	S	S	.	.	H	α-helix	trans	-68	-32.6	172.4	-68.9	-177.5	139.8	0	0	112.3	K694 E857 K859 S864 H873	K694-E861 IonicContact NZ-OE1 3.41Å; K694-E861 PolarHBondContact NZ-OE1 2.88Å; E857-E861 PolarHBondContact O-N 3.28Å; E857-E861 VanDerWaalsContact O-N 3.14Å; K859-E861 VanDerWaalsContact C-N 3.28Å; K859-E861 PolarHBondContact O-N 2.96Å; E861-S864 PolarHBondContact O-OG 3.36Å; E861-H873 IonicContact OE2-CE1 3.43Å; E861-H873 PolarHBondContact OE2-CE1 3.4Å; E861-H873 VanDerWaalsContact OE2-CE1 3.31Å
862	A	62.3	Low	63.7	Low	44 Å²	44	94.5 Å²	94.5	36%	0.364	48%	0.478	S	S	.	.	H	α-helix	trans	-74	-32.3	174.3	0	0	0	0	0	113.7	S858 K859	S858-A862 WeakPolarHBondContact O-CB 3.37Å; S858-A862 PolarHBondContact O-N 3.21Å; K859-A862 PolarHBondContact O-N 3.22Å
863	E	63.1	Low	62.6	Low	163 Å²	163	92.2 Å²	92.2	76%	0.762	47%	0.467	S	S	*	.	H	α-helix	trans	-76	-19.9	177.5	-73.9	173.9	-161.3	0	0	113.1	K859 A860 G865	K859-E863 WeakPolarHBondContact O-CG 3.45Å; K859-E863 PolarHBondContact O-N 3.3Å; A860-E863 PolarHBondContact O-N 2.81Å; E863-G865 PolarHBondContact O-N 2.97Å
864	S	60.1	Low	61.8	Low	79 Å²	79	94.5 Å²	94.5	55%	0.552	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-2.7	178.6	72.8	0	0	0	0	114.8	A860 E861	A860-S864 PolarHBondContact O-N 2.85Å; E861-S864 PolarHBondContact O-OG 3.36Å
865	G	52.1	Low	61.1	Low	49 Å²	49	96.5 Å²	96.5	51%	0.505	49%	0.488	S	S	.	.			trans	88.2	-1.2	162.7	0	0	0	0	0	116.7	E863 Q867	E863-G865 PolarHBondContact O-N 2.97Å; G865-Q867 PolarHBondContact O-N 3.42Å
866	E	54.8	Low	60.6	Low	122 Å²	122	93.5 Å²	93.5	57%	0.57	48%	0.476	S	S	*	.			trans	-74.2	88.3	178.7	-66.2	-168	132.4	0	0	111.7	Q868 H869	E866-Q868 PolarHBondContact O-N 2.98Å; E866-H869 PolarHBondContact O-N 3.11Å; E866-H869 IonicContact OE2-CD2 3.6Å; E866-H869 PolarHBondContact OE2-CD2 3.02Å; E866-H869 IonicContact OE2-NE2 3.95Å
867	Q	52.4	Low	60.3	Low	159 Å²	159	89.2 Å²	89.2	74%	0.743	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-27.1	-173.5	-65.1	-178.4	-5.3	0	0	114.9	G865 H869	G865-Q867 PolarHBondContact O-N 3.42Å; Q867-H869 VanDerWaalsContact C-N 3.28Å; Q867-H869 PolarHBondContact O-N 3.26Å
868	Q	49.6	Very low	60.3	Low	184 Å²	184	85.9 Å²	85.9	86%	0.86	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-15	178.7	-64.8	-171.3	3	0	0	114	E866	E866-Q868 PolarHBondContact O-N 2.98Å
869	H	52	Low	60.5	Low	88 Å²	88	85.9 Å²	85.9	41%	0.407	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-20.7	179.5	-73.1	-34.6	0	0	0	114.2	E866 Q867 H871 H872 H873	E866-H869 PolarHBondContact O-N 3.11Å; E866-H869 IonicContact OE2-CD2 3.6Å; E866-H869 PolarHBondContact OE2-CD2 3.02Å; E866-H869 IonicContact OE2-NE2 3.95Å; Q867-H869 VanDerWaalsContact C-N 3.28Å; Q867-H869 PolarHBondContact O-N 3.26Å; H869-H871 VanDerWaalsContact C-N 3.34Å; H869-H871 PolarHBondContact O-N 3.11Å; H869-H872 PolarHBondContact O-N 2.95Å; H869-H873 PolarHBondContact O-CD2 3.29Å; H869-H873 PolarHBondContact O-N 3.36Å; H869-H873 VanDerWaalsContact O-N 3.12Å
870	Q	52.4	Low	60.9	Low	111 Å²	111	80.4 Å²	80.4	52%	0.519	42%	0.416	S	S	.	.	H	α-helix	trans	-58.5	-38.3	-172.6	-65.8	-174.1	-10.2	0	0	114.2	H874	Q870-H874 PolarHBondContact O-N 2.87Å
871	H	53.2	Low	61.5	Low	162 Å²	162	80 Å²	80	75%	0.75	41%	0.406	S	S	*	.	H	α-helix	trans	-66.2	-45.9	178.2	-89.4	-68.5	0	0	0	113	H869 H874 E875	H869-H871 VanDerWaalsContact C-N 3.34Å; H869-H871 PolarHBondContact O-N 3.11Å; H871-H874 PolarHBondContact O-N 3.41Å; H871-E875 PolarHBondContact O-N 3.11Å
872	H	53.2	Low	62.4	Low	66 Å²	66	76.3 Å²	76.3	31%	0.306	39%	0.389	S	S	.	.	H	α-helix	trans	-70.3	-35.3	-179.5	-79.9	-42.1	0	0	0	112.6	H869 H874 E875 Q876	H869-H872 PolarHBondContact O-N 2.95Å; H872-H874 VanDerWaalsContact C-N 3.26Å; H872-H874 PolarHBondContact O-N 3.44Å; H872-E875 IonicContact ND1-OE2 3.32Å; H872-E875 PolarHBondContact O-N 2.94Å; H872-Q876 WeakPolarHBondContact O-CG 3.48Å; H872-Q876 PolarHBondContact O-N 3.07Å
873	H	58.6	Low	63.4	Low	29 Å²	29	74.5 Å²	74.5	13%	0.134	37%	0.373	C	S	.	.	H	α-helix	trans	-59.7	-38.6	172.7	-72.8	-57	0	0	0	112	E861 H869 Q876 Q877	E861-H873 IonicContact OE2-CE1 3.43Å; E861-H873 PolarHBondContact OE2-CE1 3.4Å; E861-H873 VanDerWaalsContact OE2-CE1 3.31Å; H869-H873 PolarHBondContact O-CD2 3.29Å; H869-H873 PolarHBondContact O-N 3.36Å; H869-H873 VanDerWaalsContact O-N 3.12Å; H873-Q876 PolarHBondContact O-N 3.35Å; H873-Q877 WeakPolarHBondContact O-CB 3.44Å; H873-Q877 PolarHBondContact O-N 2.8Å
874	H	62.6	Low	64.6	Low	117 Å²	117	68.3 Å²	68.3	54%	0.542	34%	0.344	S	S	.	.	H	α-helix	trans	-63.6	-45	178	-166.4	65.5	0	0	0	112.1	Q870 H871 H872 Q877 Q878	Q870-H874 PolarHBondContact O-N 2.87Å; H871-H874 PolarHBondContact O-N 3.41Å; H872-H874 VanDerWaalsContact C-N 3.26Å; H872-H874 PolarHBondContact O-N 3.44Å; H874-Q877 PolarHBondContact O-N 3.1Å; H874-Q878 PolarHBondContact CD2-NE2 3.33Å; H874-Q878 PolarHBondContact NE2-NE2 2.82Å; H874-Q878 WeakPolarHBondContact O-CB 3.49Å; H874-Q878 VanDerWaalsContact O-CG 3.3Å; H874-Q878 WeakPolarHBondContact O-CG 2.95Å; H874-Q878 PolarHBondContact O-N 2.82Å
875	E	60.8	Low	66	Low	52 Å²	52	64.8 Å²	64.8	24%	0.243	32%	0.32	C	S	.	.	H	α-helix	trans	-69.5	-33.5	178.9	-64.4	-169	111	0	0	113.5	H871 H872 C879 S987	H871-E875 PolarHBondContact O-N 3.11Å; H872-E875 IonicContact ND1-OE2 3.32Å; H872-E875 PolarHBondContact O-N 2.94Å; E875-C879 PolarHBondContact O-N 3.48Å; E875-C879 PolarHBondContact O-SG 2.97Å; E875-C879 VanDerWaalsContact O-SG 3.34Å; E875-S987 WeakPolarHBondContact OE1-CB 3.29Å; E875-S987 PolarHBondContact OE1-OG 3.2Å
876	Q	64.7	Low	67.8	Low	46 Å²	46	62.4 Å²	62.4	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-67.1	-46.7	173	-70.4	177.3	2.9	0	0	111.2	C690 H872 H873 Q878 C879 V880	C690-Q876 WeakPolarHBondContact O-CG 3.49Å; H872-Q876 WeakPolarHBondContact O-CG 3.48Å; H872-Q876 PolarHBondContact O-N 3.07Å; H873-Q876 PolarHBondContact O-N 3.35Å; Q876-Q878 VanDerWaalsContact C-N 3.34Å; Q876-Q878 PolarHBondContact O-N 3.15Å; Q876-C879 PolarHBondContact O-N 2.97Å; Q876-C879 VanDerWaalsContact O-N 3.15Å; Q876-V880 PolarHBondContact O-N 3.04Å; Q876-V880 VanDerWaalsContact O-N 3.15Å
877	Q	71.3	Confident	69.5	Low	36 Å²	36	56.7 Å²	56.7	17%	0.168	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-42	177	-173.8	62	47.9	0	0	111.6	H873 H874 C879 V880 D881	H873-Q877 WeakPolarHBondContact O-CB 3.44Å; H873-Q877 PolarHBondContact O-N 2.8Å; H874-Q877 PolarHBondContact O-N 3.1Å; Q877-C879 VanDerWaalsContact C-N 3.26Å; Q877-C879 PolarHBondContact O-N 3.41Å; Q877-V880 WeakPolarHBondContact O-CB 3.43Å; Q877-V880 PolarHBondContact O-N 3.07Å; Q877-V880 VanDerWaalsContact O-N 3.1Å; Q877-D881 PolarHBondContact NE2-OD1 3.32Å; Q877-D881 PolarHBondContact NE2-OD2 3.24Å; Q877-D881 PolarHBondContact O-N 2.89Å
878	Q	73.3	Confident	71.5	Confident	20 Å²	20	50 Å²	50	9%	0.093	24%	0.237	C	C	.	.	H	α-helix	trans	-54.2	-38.2	174.1	-83.5	-174.6	15.6	0	0	113.6	H874 Q876 L882 N984	H874-Q878 PolarHBondContact CD2-NE2 3.33Å; H874-Q878 PolarHBondContact NE2-NE2 2.82Å; H874-Q878 WeakPolarHBondContact O-CB 3.49Å; H874-Q878 VanDerWaalsContact O-CG 3.3Å; H874-Q878 WeakPolarHBondContact O-CG 2.95Å; H874-Q878 PolarHBondContact O-N 2.82Å; Q876-Q878 VanDerWaalsContact C-N 3.34Å; Q876-Q878 PolarHBondContact O-N 3.15Å; Q878-L882 PolarHBondContact O-N 2.99Å; Q878-N984 VanDerWaalsContact CB-ND2 3.32Å; Q878-N984 WeakPolarHBondContact CB-ND2 3.48Å; Q878-N984 VanDerWaalsContact CD-CG 3.47Å; Q878-N984 VanDerWaalsContact CG-OD1 3.26Å; Q878-N984 WeakPolarHBondContact CG-OD1 3.42Å; Q878-N984 PolarHBondContact O-ND2 2.97Å; Q878-N984 VanDerWaalsContact OE1-CG 3.29Å; Q878-N984 PolarHBondContact OE1-OD1 3.4Å
879	C	71.7	Confident	73.5	Confident	16 Å²	16	41.2 Å²	41.2	11%	0.108	20%	0.196	C	C	.	.	H	α-helix	trans	-75.5	-35.4	177.9	-64.3	0	0	0	0	112.3	C690 E875 Q876 Q877 F883	C690-C879 HydrophobicContact CB-CB 4.1Å; E875-C879 PolarHBondContact O-N 3.48Å; E875-C879 PolarHBondContact O-SG 2.97Å; E875-C879 VanDerWaalsContact O-SG 3.34Å; Q876-C879 PolarHBondContact O-N 2.97Å; Q876-C879 VanDerWaalsContact O-N 3.15Å; Q877-C879 VanDerWaalsContact C-N 3.26Å; Q877-C879 PolarHBondContact O-N 3.41Å; C879-F883 PolarHBondContact O-N 2.91Å
880	V	77.8	Confident	75.5	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.03	18%	0.177	C	C	.	.	H	α-helix	trans	-64.9	-47.4	173.1	170	0	0	0	0	111.1	L691 F851 Q876 Q877 L882 F883 L884	L691-V880 HydrophobicContact CD2-CG2 3.67Å; F851-V880 HydrophobicContact CB-CG1 4.48Å; F851-V880 HydrophobicContact CD1-CG1 3.52Å; F851-V880 HydrophobicContact CE1-CG1 4.07Å; F851-V880 HydrophobicContact CG-CG1 4.22Å; Q876-V880 PolarHBondContact O-N 3.04Å; Q876-V880 VanDerWaalsContact O-N 3.15Å; Q877-V880 WeakPolarHBondContact O-CB 3.43Å; Q877-V880 PolarHBondContact O-N 3.07Å; Q877-V880 VanDerWaalsContact O-N 3.1Å; V880-L882 VanDerWaalsContact C-N 3.33Å; V880-L882 PolarHBondContact O-N 3.32Å; V880-F883 PolarHBondContact O-N 3.23Å; V880-F883 VanDerWaalsContact O-N 3.17Å; V880-L884 WeakPolarHBondContact O-CB 3.3Å; V880-L884 PolarHBondContact O-N 3.02Å
881	D	82	Confident	77.4	Confident	52 Å²	52	31.8 Å²	31.8	28%	0.278	15%	0.152	S	C	.	.	H	α-helix	trans	-64.3	-37.4	-178.6	-69.9	-26.4	0	0	0	111.9	Q877 T885 I980	Q877-D881 PolarHBondContact NE2-OD1 3.32Å; Q877-D881 PolarHBondContact NE2-OD2 3.24Å; Q877-D881 PolarHBondContact O-N 2.89Å; D881-T885 VanDerWaalsContact O-CB 3.25Å; D881-T885 WeakPolarHBondContact O-CB 3.36Å; D881-T885 PolarHBondContact O-N 2.84Å; D881-T885 PolarHBondContact O-OG1 3.02Å; D881-I980 HydrophobicContact CB-CD1 4.19Å
882	L	82.9	Confident	79.4	Confident	3 Å²	3	24.1 Å²	24.1	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-58.6	-49.7	171.5	-176.3	79.4	0	0	0	111.5	L687 Q878 V880 C886 F977 I980 I981 M990 I1004 V1008	L687-L882 HydrophobicContact CD1-CD2 4.28Å; Q878-L882 PolarHBondContact O-N 2.99Å; V880-L882 VanDerWaalsContact C-N 3.33Å; V880-L882 PolarHBondContact O-N 3.32Å; L882-C886 WeakPolarHBondContact O-CB 3.43Å; L882-C886 PolarHBondContact O-N 2.94Å; L882-F977 HydrophobicContact CD1-CD2 4.23Å; L882-F977 HydrophobicContact CD1-CE2 3.69Å; L882-F977 HydrophobicContact CD1-CZ 4.13Å; L882-F977 HydrophobicContact CG-CE2 4.32Å; L882-I980 HydrophobicContact CB-CG2 4.04Å; L882-I980 HydrophobicContact CD1-CG2 3.82Å; L882-I981 HydrophobicContact CD1-CG1 4.24Å; L882-M990 HydrophobicContact CD1-CE 4.06Å; L882-M990 HydrophobicContact CD2-CE 3.83Å; L882-M990 HydrophobicContact CG-CE 4.47Å; L882-I1004 HydrophobicContact CD2-CG2 4.26Å; L882-V1008 HydrophobicContact CD1-CG2 4.26Å
883	F	83.5	Confident	81.2	Confident	6 Å²	6	21.1 Å²	21.1	3%	0.026	10%	0.103	C	C	.	.	H	α-helix	trans	-63.2	-49.3	179.1	174.2	-111.4	0	0	0	111.8	F688 L847 F851 C879 V880 T885 C886 I887 L918 W1003 I1004	F688-F883 HydrophobicContact CE1-CB 3.98Å; F688-F883 AromaticContact CE1-CD1 3.57Å; F688-F883 HydrophobicContact CE1-CD1 3.57Å; F688-F883 AromaticContact CE1-CD2 3.96Å; F688-F883 HydrophobicContact CE1-CD2 3.96Å; F688-F883 HydrophobicContact CE1-CE1 4.01Å; F688-F883 HydrophobicContact CE1-CE2 4.38Å; F688-F883 AromaticContact CE1-CG 3.52Å; F688-F883 HydrophobicContact CE1-CG 3.52Å; F688-F883 HydrophobicContact CE1-CZ 4.39Å; F688-F883 HydrophobicContact CE2-CD2 4.44Å; F688-F883 HydrophobicContact CE2-CE2 4.34Å; F688-F883 HydrophobicContact CZ-CB 4.36Å; F688-F883 AromaticContact CZ-CD1 3.64Å; F688-F883 HydrophobicContact CZ-CD1 3.64Å; F688-F883 AromaticContact CZ-CD2 3.46Å; F688-F883 HydrophobicContact CZ-CD2 3.46Å; F688-F883 VanDerWaalsContact CZ-CD2 3.46Å; F688-F883 AromaticContact CZ-CE1 3.68Å; F688-F883 HydrophobicContact CZ-CE1 3.68Å; F688-F883 AromaticContact CZ-CE2 3.52Å; F688-F883 HydrophobicContact CZ-CE2 3.52Å; F688-F883 AromaticContact CZ-CG 3.51Å; F688-F883 HydrophobicContact CZ-CG 3.51Å; F688-F883 AromaticContact CZ-CZ 3.62Å; F688-F883 HydrophobicContact CZ-CZ 3.62Å; L847-F883 HydrophobicContact CD1-CE1 4.42Å; L847-F883 HydrophobicContact CD2-CE1 4.28Å; L847-F883 HydrophobicContact CD2-CZ 4.43Å; F851-F883 HydrophobicContact CE1-CD1 4.38Å; F851-F883 AromaticContact CE2-CD1 3.72Å; F851-F883 HydrophobicContact CE2-CD1 3.72Å; F851-F883 AromaticContact CE2-CE1 3.62Å; F851-F883 HydrophobicContact CE2-CE1 3.62Å; F851-F883 AromaticContact CZ-CD1 3.46Å; F851-F883 HydrophobicContact CZ-CD1 3.46Å; F851-F883 VanDerWaalsContact CZ-CD1 3.46Å; F851-F883 AromaticContact CZ-CE1 3.61Å; F851-F883 HydrophobicContact CZ-CE1 3.61Å; C879-F883 PolarHBondContact O-N 2.91Å; V880-F883 PolarHBondContact O-N 3.23Å; V880-F883 VanDerWaalsContact O-N 3.17Å; F883-T885 VanDerWaalsContact C-N 3.28Å; F883-T885 PolarHBondContact O-N 3.41Å; F883-C886 CarbonylContact O-C 3.59Å; F883-C886 WeakPolarHBondContact O-CA 3.47Å; F883-C886 VanDerWaalsContact O-CB 3.28Å; F883-C886 WeakPolarHBondContact O-CB 3.14Å; F883-C886 PolarHBondContact O-N 3.17Å; F883-I887 HydrophobicContact CD1-CG1 4.33Å; F883-I887 HydrophobicContact CD2-CG1 4.21Å; F883-I887 HydrophobicContact CE1-CD1 4.4Å; F883-I887 HydrophobicContact CE1-CG1 3.73Å; F883-I887 HydrophobicContact CE2-CD1 3.73Å; F883-I887 HydrophobicContact CE2-CG1 3.59Å; F883-I887 HydrophobicContact CZ-CD1 3.55Å; F883-I887 HydrophobicContact CZ-CG1 3.33Å; F883-I887 PolarHBondContact O-N 2.75Å; F883-L918 HydrophobicContact CZ-CD2 4.42Å; F883-W1003 HydrophobicContact CE2-CH2 4.1Å; F883-W1003 AromaticContact CE2-CZ2 3.96Å; F883-W1003 HydrophobicContact CE2-CZ2 3.96Å; F883-I1004 HydrophobicContact CD2-CD1 3.58Å; F883-I1004 HydrophobicContact CE2-CD1 4.21Å
884	L	87.7	Confident	82.8	Confident	32 Å²	32	19.8 Å²	19.8	17%	0.168	10%	0.097	C	C	.	.	H	α-helix	trans	-57.9	-44.2	-179.3	-179.1	60.7	0	0	0	110.7	L848 F851 V880 C886 I887 K888	L848-L884 HydrophobicContact CD2-CD1 3.83Å; F851-L884 HydrophobicContact CD2-CD1 4.27Å; V880-L884 WeakPolarHBondContact O-CB 3.3Å; V880-L884 PolarHBondContact O-N 3.02Å; L884-C886 VanDerWaalsContact C-N 3.35Å; L884-C886 PolarHBondContact O-N 3.26Å; L884-I887 WeakPolarHBondContact O-CB 3.41Å; L884-I887 PolarHBondContact O-N 2.91Å; L884-I887 VanDerWaalsContact O-N 3.11Å; L884-K888 WeakPolarHBondContact O-CG 3.46Å; L884-K888 PolarHBondContact O-N 3.33Å
885	T	89.6	Confident	84.1	Confident	5 Å²	5	14.2 Å²	14.2	3%	0.031	7%	0.071	C	C	.	.	H	α-helix	trans	-66.8	-35.5	177.2	-51.5	0	0	0	0	111.9	D881 F883 I887 K888 L889 V973 Q976 F977 I980	D881-T885 VanDerWaalsContact O-CB 3.25Å; D881-T885 WeakPolarHBondContact O-CB 3.36Å; D881-T885 PolarHBondContact O-N 2.84Å; D881-T885 PolarHBondContact O-OG1 3.02Å; F883-T885 VanDerWaalsContact C-N 3.28Å; F883-T885 PolarHBondContact O-N 3.41Å; T885-I887 VanDerWaalsContact C-N 3.31Å; T885-I887 PolarHBondContact O-N 3.17Å; T885-K888 PolarHBondContact O-N 3.46Å; T885-L889 WeakPolarHBondContact O-CB 3.27Å; T885-L889 PolarHBondContact O-N 3.18Å; T885-V973 HydrophobicContact CG2-CG1 3.9Å; T885-Q976 HydrophobicContact CG2-CB 4.27Å; T885-F977 HydrophobicContact CG2-CB 3.74Å; T885-F977 HydrophobicContact CG2-CD2 3.85Å; T885-F977 HydrophobicContact CG2-CG 4.3Å; T885-I980 HydrophobicContact CG2-CD1 4.35Å; T885-I980 VanDerWaalsContact OG1-CD1 3.31Å; T885-I980 WeakPolarHBondContact OG1-CD1 3.45Å
886	C	89.1	Confident	85.4	Confident	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.6	-36.7	170.3	-123.3	0	0	0	0	112.5	L882 F883 L884 N890 F977 W1003	L882-C886 WeakPolarHBondContact O-CB 3.43Å; L882-C886 PolarHBondContact O-N 2.94Å; F883-C886 CarbonylContact O-C 3.59Å; F883-C886 WeakPolarHBondContact O-CA 3.47Å; F883-C886 VanDerWaalsContact O-CB 3.28Å; F883-C886 WeakPolarHBondContact O-CB 3.14Å; F883-C886 PolarHBondContact O-N 3.17Å; L884-C886 VanDerWaalsContact C-N 3.35Å; L884-C886 PolarHBondContact O-N 3.26Å; C886-N890 WeakPolarHBondContact O-CB 3.42Å; C886-N890 PolarHBondContact O-N 2.62Å; C886-F977 HydrophobicContact CB-CE2 4.11Å; C886-F977 VanDerWaalsContact SG-CE2 3.58Å; C886-W1003 HydrophobicContact CB-CH2 4.09Å; C886-W1003 HydrophobicContact CB-CZ3 3.81Å
887	I	91.1	Very high	86.4	Confident	2 Å²	2	11.1 Å²	11.1	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-72.4	-44.6	174.7	-66.4	-67.4	0	0	0	111.8	L844 L847 F883 L884 T885 L889 N890 V891 L916 L918 C923 W1003	L844-I887 HydrophobicContact CD1-CG2 4.29Å; L847-I887 HydrophobicContact CD2-CD1 4.48Å; L847-I887 HydrophobicContact CD2-CG1 4.34Å; L847-I887 HydrophobicContact CD2-CG2 4.25Å; F883-I887 HydrophobicContact CD1-CG1 4.33Å; F883-I887 HydrophobicContact CD2-CG1 4.21Å; F883-I887 HydrophobicContact CE1-CD1 4.4Å; F883-I887 HydrophobicContact CE1-CG1 3.73Å; F883-I887 HydrophobicContact CE2-CD1 3.73Å; F883-I887 HydrophobicContact CE2-CG1 3.59Å; F883-I887 HydrophobicContact CZ-CD1 3.55Å; F883-I887 HydrophobicContact CZ-CG1 3.33Å; F883-I887 PolarHBondContact O-N 2.75Å; L884-I887 WeakPolarHBondContact O-CB 3.41Å; L884-I887 PolarHBondContact O-N 2.91Å; L884-I887 VanDerWaalsContact O-N 3.11Å; T885-I887 VanDerWaalsContact C-N 3.31Å; T885-I887 PolarHBondContact O-N 3.17Å; I887-L889 VanDerWaalsContact C-N 3.28Å; I887-L889 PolarHBondContact O-N 3.03Å; I887-N890 WeakPolarHBondContact O-CB 3.16Å; I887-N890 PolarHBondContact O-N 2.72Å; I887-N890 VanDerWaalsContact O-N 3.11Å; I887-V891 HydrophobicContact CG2-CG2 4.43Å; I887-V891 WeakPolarHBondContact O-CG2 3.3Å; I887-V891 PolarHBondContact O-N 3.02Å; I887-L916 HydrophobicContact CG2-CD1 3.93Å; I887-L918 HydrophobicContact CD1-CD2 4Å; I887-C923 HydrophobicContact CD1-CB 4.46Å; I887-W1003 HydrophobicContact CD1-CH2 3.77Å; I887-W1003 HydrophobicContact CD1-CZ2 4.22Å; I887-W1003 HydrophobicContact CG1-CH2 4.42Å
888	K	93.5	Very high	87.1	Confident	18 Å²	18	9.5 Å²	9.5	8%	0.078	5%	0.052	C	C	.	.	H	α-helix	trans	-51.6	-50.8	172	-65.3	-174.2	-170.2	-162.1	0	110.2	L884 T885 N890 V891 L892 L959 H960 I961 V973	L884-K888 WeakPolarHBondContact O-CG 3.46Å; L884-K888 PolarHBondContact O-N 3.33Å; T885-K888 PolarHBondContact O-N 3.46Å; K888-N890 VanDerWaalsContact C-N 3.33Å; K888-N890 PolarHBondContact O-N 3.01Å; K888-V891 PolarHBondContact O-N 3.32Å; K888-L892 WeakPolarHBondContact O-CG 3.45Å; K888-L892 PolarHBondContact O-N 3.14Å; K888-L892 VanDerWaalsContact O-N 3.1Å; K888-L959 WeakPolarHBondContact CD-O 3.38Å; K888-L959 WeakPolarHBondContact CE-O 3.39Å; K888-L959 HydrophobicContact CG-CD2 4.25Å; K888-L959 PolarHBondContact NZ-O 3.32Å; K888-H960 PolarHBondContact NZ-O 3.25Å; K888-I961 HydrophobicContact CD-CD1 4.36Å; K888-I961 HydrophobicContact CD-CG1 4.38Å; K888-V973 HydrophobicContact CB-CG1 3.97Å; K888-V973 HydrophobicContact CB-CG2 4.17Å; K888-V973 HydrophobicContact CD-CG2 4.28Å
889	L	93.2	Very high	87.5	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.7	-41.4	179.2	-174.6	59.5	0	0	0	111.8	L800 T885 I887 L893 I970 V973 L974 I1011	L800-L889 HydrophobicContact CD1-CD2 4.48Å; T885-L889 WeakPolarHBondContact O-CB 3.27Å; T885-L889 PolarHBondContact O-N 3.18Å; I887-L889 VanDerWaalsContact C-N 3.28Å; I887-L889 PolarHBondContact O-N 3.03Å; L889-L893 HydrophobicContact CD1-CD1 3.87Å; L889-L893 HydrophobicContact CD1-CG 4.05Å; L889-L893 HydrophobicContact CG-CD1 3.82Å; L889-L893 HydrophobicContact CG-CG 4.39Å; L889-L893 VanDerWaalsContact O-CB 3.29Å; L889-L893 WeakPolarHBondContact O-CB 3.46Å; L889-L893 VanDerWaalsContact O-CG 3.27Å; L889-L893 WeakPolarHBondContact O-CG 3.2Å; L889-L893 PolarHBondContact O-N 3Å; L889-I970 HydrophobicContact CD1-CG2 4.17Å; L889-V973 HydrophobicContact CB-CG1 3.76Å; L889-V973 HydrophobicContact CD1-CG1 4.26Å; L889-L974 HydrophobicContact CD1-CD2 3.78Å; L889-L974 HydrophobicContact CD1-CG 3.95Å; L889-L974 HydrophobicContact CD2-CD2 3.81Å; L889-L974 HydrophobicContact CG-CD2 4.48Å; L889-I1011 HydrophobicContact CD2-CD1 4.13Å
890	N	92.6	Very high	87.7	Confident	1 Å²	1	16 Å²	16	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-63.2	-46.4	177.3	-166	44.6	0	0	0	112.7	I796 C886 I887 K888 S894 C923 T925	I796-N890 VanDerWaalsContact CB-OD1 3.29Å; I796-N890 WeakPolarHBondContact CB-OD1 3.25Å; I796-N890 HydrophobicContact CD1-CB 3.55Å; I796-N890 WeakPolarHBondContact CD1-OD1 3.37Å; I796-N890 HydrophobicContact CG1-CB 4.2Å; I796-N890 VanDerWaalsContact CG1-OD1 3.26Å; I796-N890 WeakPolarHBondContact CG1-OD1 3.33Å; C886-N890 WeakPolarHBondContact O-CB 3.42Å; C886-N890 PolarHBondContact O-N 2.62Å; I887-N890 WeakPolarHBondContact O-CB 3.16Å; I887-N890 PolarHBondContact O-N 2.72Å; I887-N890 VanDerWaalsContact O-N 3.11Å; K888-N890 VanDerWaalsContact C-N 3.33Å; K888-N890 PolarHBondContact O-N 3.01Å; N890-S894 WeakPolarHBondContact O-CB 3.32Å; N890-S894 PolarHBondContact O-N 3.25Å; N890-S894 PolarHBondContact O-OG 2.95Å; N890-C923 WeakPolarHBondContact ND2-CB 3.43Å; N890-C923 PolarHBondContact ND2-O 3.06Å; N890-C923 PolarHBondContact ND2-SG 3.03Å; N890-T925 PolarHBondContact ND2-OG1 3.1Å; N890-T925 VanDerWaalsContact ND2-OG1 3.11Å
891	V	93.8	Very high	87.2	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.8	-48.3	-179	172.6	0	0	0	0	110.1	L844 I887 K888 S894 L895 L916 T925 F927 L955 L959	L844-V891 HydrophobicContact CD1-CG2 4.29Å; L844-V891 HydrophobicContact CD2-CG1 4.49Å; L844-V891 HydrophobicContact CD2-CG2 4.49Å; I887-V891 HydrophobicContact CG2-CG2 4.43Å; I887-V891 WeakPolarHBondContact O-CG2 3.3Å; I887-V891 PolarHBondContact O-N 3.02Å; K888-V891 PolarHBondContact O-N 3.32Å; V891-S894 PolarHBondContact O-N 3.21Å; V891-L895 VanDerWaalsContact O-CB 3.29Å; V891-L895 WeakPolarHBondContact O-CB 3.28Å; V891-L895 PolarHBondContact O-N 3.13Å; V891-L916 HydrophobicContact CG2-CD2 4.04Å; V891-T925 HydrophobicContact CG2-CG2 4.27Å; V891-F927 HydrophobicContact CG1-CE1 4.45Å; V891-L955 HydrophobicContact CG1-CD2 4.39Å; V891-L959 HydrophobicContact CG1-CD1 4.29Å
892	L	93.6	Very high	86.2	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.2	-45.3	179.6	-63.1	174.1	0	0	0	112.8	K888 S894 L895 S896 L956 L959 I961 M966 I970 V973	K888-L892 WeakPolarHBondContact O-CG 3.45Å; K888-L892 PolarHBondContact O-N 3.14Å; K888-L892 VanDerWaalsContact O-N 3.1Å; L892-S894 VanDerWaalsContact C-N 3.31Å; L892-S894 PolarHBondContact O-N 3.43Å; L892-L895 PolarHBondContact O-N 2.85Å; L892-S896 WeakPolarHBondContact O-CB 3.41Å; L892-S896 PolarHBondContact O-N 3.38Å; L892-L956 HydrophobicContact CD2-CD2 3.76Å; L892-L959 HydrophobicContact CD2-CD1 4.23Å; L892-L959 HydrophobicContact CG-CD1 4.49Å; L892-I961 HydrophobicContact CD1-CD1 3.85Å; L892-M966 HydrophobicContact CD2-SD 4.02Å; L892-I970 HydrophobicContact CB-CD1 4.11Å; L892-I970 HydrophobicContact CB-CG1 3.52Å; L892-I970 HydrophobicContact CD1-CG1 4.04Å; L892-I970 HydrophobicContact CG-CG1 4.39Å; L892-V973 HydrophobicContact CD1-CB 4.41Å; L892-V973 HydrophobicContact CD1-CG2 3.95Å
893	L	92.1	Very high	85.2	Confident	4 Å²	4	26.6 Å²	26.6	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-64	-35.9	176.1	-74.4	175.2	0	0	0	112.3	L799 L800 W803 L889 E897 I970	L799-L893 HydrophobicContact CB-CB 4.05Å; L799-L893 HydrophobicContact CB-CD1 4.33Å; L799-L893 HydrophobicContact CD1-CB 4.2Å; L800-L893 HydrophobicContact CB-CD1 3.99Å; L800-L893 HydrophobicContact CD1-CD1 4.4Å; W803-L893 HydrophobicContact CB-CD2 4.01Å; W803-L893 HydrophobicContact CD2-CD2 4.2Å; W803-L893 HydrophobicContact CE3-CD2 4.19Å; W803-L893 HydrophobicContact CG-CD2 4.13Å; L889-L893 HydrophobicContact CD1-CD1 3.87Å; L889-L893 HydrophobicContact CD1-CG 4.05Å; L889-L893 HydrophobicContact CG-CD1 3.82Å; L889-L893 HydrophobicContact CG-CG 4.39Å; L889-L893 VanDerWaalsContact O-CB 3.29Å; L889-L893 WeakPolarHBondContact O-CB 3.46Å; L889-L893 VanDerWaalsContact O-CG 3.27Å; L889-L893 WeakPolarHBondContact O-CG 3.2Å; L889-L893 PolarHBondContact O-N 3Å; L893-E897 PolarHBondContact O-N 3.29Å; L893-I970 HydrophobicContact CD2-CD1 4.35Å; L893-I970 HydrophobicContact CD2-CG2 4.19Å
894	S	91.1	Very high	84.1	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.7	-44.5	175	-59.7	0	0	0	0	111.2	N890 V891 L892 E897 C898 T925	N890-S894 WeakPolarHBondContact O-CB 3.32Å; N890-S894 PolarHBondContact O-N 3.25Å; N890-S894 PolarHBondContact O-OG 2.95Å; V891-S894 PolarHBondContact O-N 3.21Å; L892-S894 VanDerWaalsContact C-N 3.31Å; L892-S894 PolarHBondContact O-N 3.43Å; S894-E897 PolarHBondContact O-N 2.58Å; S894-C898 PolarHBondContact O-N 2.7Å; S894-C898 PolarHBondContact O-SG 2.63Å; S894-T925 WeakPolarHBondContact OG-CB 3.29Å; S894-T925 PolarHBondContact OG-OG1 2.84Å
895	L	90.6	Very high	83.1	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-65	-41.6	178.9	-176.7	50.5	0	0	0	111.1	V891 L892 C898 L899 L907 L909 F927 L952 L955 M966	V891-L895 VanDerWaalsContact O-CB 3.29Å; V891-L895 WeakPolarHBondContact O-CB 3.28Å; V891-L895 PolarHBondContact O-N 3.13Å; L892-L895 PolarHBondContact O-N 2.85Å; L895-C898 PolarHBondContact O-N 3.43Å; L895-L899 HydrophobicContact CD1-CD1 3.82Å; L895-L899 HydrophobicContact CD1-CG 4.01Å; L895-L899 HydrophobicContact CG-CD1 3.96Å; L895-L899 WeakPolarHBondContact O-CG 3.32Å; L895-L899 PolarHBondContact O-N 3.43Å; L895-L907 HydrophobicContact CD1-CD1 3.58Å; L895-L909 HydrophobicContact CD1-CD2 3.74Å; L895-L909 HydrophobicContact CD2-CD1 4.19Å; L895-L909 HydrophobicContact CD2-CD2 3.93Å; L895-F927 HydrophobicContact CB-CE1 4.05Å; L895-F927 HydrophobicContact CB-CE2 4.46Å; L895-F927 HydrophobicContact CB-CZ 3.67Å; L895-F927 HydrophobicContact CD1-CD1 4.4Å; L895-F927 HydrophobicContact CD1-CE1 4.06Å; L895-F927 HydrophobicContact CD1-CZ 4.25Å; L895-F927 HydrophobicContact CD2-CE1 4.5Å; L895-F927 HydrophobicContact CG-CE1 4.43Å; L895-F927 HydrophobicContact CG-CZ 4.47Å; L895-L952 HydrophobicContact CD2-CD1 4.4Å; L895-L955 HydrophobicContact CD2-CD2 3.69Å; L895-M966 HydrophobicContact CD2-CE 3.61Å; L895-M966 HydrophobicContact CD2-SD 4.35Å; L895-M966 HydrophobicContact CG-CE 3.72Å; L895-M966 HydrophobicContact CG-SD 4.39Å
896	S	88.6	Confident	82.4	Confident	20 Å²	20	30.1 Å²	30.1	14%	0.14	16%	0.156	C	C	.	.	H	α-helix	trans	-56.3	-50.8	172.6	175.3	0	0	0	0	112.1	L892 C898 L899 D900	L892-S896 WeakPolarHBondContact O-CB 3.41Å; L892-S896 PolarHBondContact O-N 3.38Å; S896-C898 PolarHBondContact O-N 3.06Å; S896-L899 PolarHBondContact O-N 3.39Å; S896-D900 WeakPolarHBondContact O-CB 3.3Å; S896-D900 PolarHBondContact O-N 2.74Å
897	E	85.9	Confident	82	Confident	12 Å²	12	30.7 Å²	30.7	6%	0.056	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-40.2	176.3	169.8	159.8	-78.8	0	0	112.7	P792 T793 K794 L799 L893 S894 L899 K901	P792-E897 WeakPolarHBondContact CA-OE2 3.34Å; T793-E897 WeakPolarHBondContact CA-OE2 3.33Å; T793-E897 PolarHBondContact N-OE2 3.35Å; T793-E897 PolarHBondContact OG1-OE2 3.14Å; K794-E897 WeakPolarHBondContact CD-OE1 3.19Å; K794-E897 WeakPolarHBondContact CE-OE1 3.15Å; K794-E897 VanDerWaalsContact CG-OE1 3.29Å; K794-E897 WeakPolarHBondContact CG-OE1 3.46Å; K794-E897 PolarHBondContact N-OE2 3.26Å; K794-E897 VanDerWaalsContact N-OE2 3.14Å; K794-E897 IonicContact NZ-OE1 2.98Å; K794-E897 PolarHBondContact NZ-OE1 2.83Å; L799-E897 HydrophobicContact CD2-CB 3.59Å; L799-E897 HydrophobicContact CD2-CG 4.25Å; L893-E897 PolarHBondContact O-N 3.29Å; S894-E897 PolarHBondContact O-N 2.58Å; E897-L899 VanDerWaalsContact C-N 3.33Å; E897-L899 PolarHBondContact O-N 2.99Å; E897-K901 WeakPolarHBondContact O-CG 3.43Å; E897-K901 PolarHBondContact O-N 3.33Å
898	C	84.7	Confident	81.7	Confident	3 Å²	3	31.5 Å²	31.5	2%	0.02	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-40.7	178.5	-73.8	0	0	0	0	112.3	S894 L895 S896 L907	S894-C898 PolarHBondContact O-N 2.7Å; S894-C898 PolarHBondContact O-SG 2.63Å; L895-C898 PolarHBondContact O-N 3.43Å; S896-C898 PolarHBondContact O-N 3.06Å; C898-L907 HydrophobicContact CB-CD1 4.09Å
899	L	82.1	Confident	81.4	Confident	60 Å²	60	31.3 Å²	31.3	31%	0.314	16%	0.163	S	C	.	.	H	α-helix	trans	-78.4	-34.3	-180	-66.2	171.6	0	0	0	113.1	L895 S896 E897 K901 D902 L907 M966	L895-L899 HydrophobicContact CD1-CD1 3.82Å; L895-L899 HydrophobicContact CD1-CG 4.01Å; L895-L899 HydrophobicContact CG-CD1 3.96Å; L895-L899 WeakPolarHBondContact O-CG 3.32Å; L895-L899 PolarHBondContact O-N 3.43Å; S896-L899 PolarHBondContact O-N 3.39Å; E897-L899 VanDerWaalsContact C-N 3.33Å; E897-L899 PolarHBondContact O-N 2.99Å; L899-K901 VanDerWaalsContact C-N 3.31Å; L899-K901 PolarHBondContact O-N 2.89Å; L899-D902 PolarHBondContact O-N 3.18Å; L899-L907 HydrophobicContact CD2-CD1 4.17Å; L899-M966 HydrophobicContact CD1-CE 4.08Å
900	D	75.4	Confident	81.2	Confident	112 Å²	112	35 Å²	35	60%	0.599	18%	0.182	S	C	*	.	H	α-helix	trans	-65.8	-32.4	178.8	-114.8	6.7	0	0	0	112.7	S896	S896-D900 WeakPolarHBondContact O-CB 3.3Å; S896-D900 PolarHBondContact O-N 2.74Å
901	K	67.7	Low	81	Confident	78 Å²	78	36 Å²	36	34%	0.339	19%	0.188	S	C	.	.	H	α-helix	trans	-63.8	-41.3	178	-78.9	178.6	176.8	-175.9	0	113.2	E784 T793 E897 L899	E784-K901 IonicContact OE1-NZ 3.72Å; E784-K901 PolarHBondContact OE1-NZ 3.18Å; E784-K901 WeakPolarHBondContact OE2-CD 3.38Å; E784-K901 IonicContact OE2-NZ 3.13Å; E784-K901 PolarHBondContact OE2-NZ 2.99Å; T793-K901 VanDerWaalsContact CG2-NZ 3.28Å; T793-K901 VanDerWaalsContact OG1-CE 3.27Å; T793-K901 WeakPolarHBondContact OG1-CE 3.5Å; T793-K901 PolarHBondContact OG1-NZ 3.01Å; E897-K901 WeakPolarHBondContact O-CG 3.43Å; E897-K901 PolarHBondContact O-N 3.33Å; L899-K901 VanDerWaalsContact C-N 3.31Å; L899-K901 PolarHBondContact O-N 2.89Å
902	D	61.7	Low	80.6	Confident	40 Å²	40	40.4 Å²	40.4	21%	0.214	21%	0.209	C	C	.	.			trans	-161.9	91.2	-163.2	173.6	9.3	0	0	0	110.1	R790 L899 S904 I905	R790-D902 IonicContact CZ-OD2 2.7Å; R790-D902 IonicContact NH1-OD2 3.68Å; R790-D902 IonicContact NH2-OD2 3.55Å; R790-D902 PolarHBondContact NH2-OD2 3.45Å; L899-D902 PolarHBondContact O-N 3.18Å; D902-S904 PolarHBondContact O-N 3.06Å; D902-S904 VanDerWaalsContact O-N 3.08Å; D902-S904 WeakPolarHBondContact OD1-CB 3.47Å; D902-S904 PolarHBondContact OD1-N 2.9Å; D902-S904 PolarHBondContact OD1-OG 2.96Å; D902-I905 HydrophobicContact CB-CD1 3.85Å; D902-I905 HydrophobicContact CB-CG1 4.08Å; D902-I905 VanDerWaalsContact O-CD1 3.31Å; D902-I905 WeakPolarHBondContact O-CD1 3.06Å; D902-I905 VanDerWaalsContact O-CG1 3.28Å; D902-I905 WeakPolarHBondContact O-CG1 3.28Å; D902-I905 PolarHBondContact O-N 2.81Å; D902-I905 WeakPolarHBondContact OD2-CG1 3.42Å
903	K	61.3	Low	80.3	Confident	165 Å²	165	43.1 Å²	43.1	72%	0.717	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-3.3	-176.7	-58.8	-171.2	177.3	-165.6	0	114.4
904	S	60.2	Low	80.3	Confident	87 Å²	87	42.9 Å²	42.9	61%	0.608	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-15.4	179.2	76.9	0	0	0	0	113.3	D902	D902-S904 PolarHBondContact O-N 3.06Å; D902-S904 VanDerWaalsContact O-N 3.08Å; D902-S904 WeakPolarHBondContact OD1-CB 3.47Å; D902-S904 PolarHBondContact OD1-N 2.9Å; D902-S904 PolarHBondContact OD1-OG 2.96Å
905	I	67.5	Low	80.3	Confident	6 Å²	6	43 Å²	43	3%	0.031	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-70.1	140.7	-179.8	-44.2	156.5	0	0	0	110.2	R790 D902 L907 Q929	R790-I905 HydrophobicContact CG-CD1 4.31Å; R790-I905 VanDerWaalsContact NH2-CD1 3.35Å; R790-I905 VanDerWaalsContact NH2-CG1 3.34Å; D902-I905 HydrophobicContact CB-CD1 3.85Å; D902-I905 HydrophobicContact CB-CG1 4.08Å; D902-I905 VanDerWaalsContact O-CD1 3.31Å; D902-I905 WeakPolarHBondContact O-CD1 3.06Å; D902-I905 VanDerWaalsContact O-CG1 3.28Å; D902-I905 WeakPolarHBondContact O-CG1 3.28Å; D902-I905 PolarHBondContact O-N 2.81Å; D902-I905 WeakPolarHBondContact OD2-CG1 3.42Å; I905-L907 HydrophobicContact CG2-CD2 3.64Å; I905-L907 HydrophobicContact CG2-CG 4.01Å; I905-Q929 HydrophobicContact CG2-CG 4.16Å
906	Q	74.1	Confident	80.2	Confident	24 Å²	24	43 Å²	43	11%	0.112	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-103.4	117.9	158.6	-65.8	171	9.7	0	0	107	Q929 Y930 K932 E944	Q906-Q929 WeakPolarHBondContact O-CG 3.24Å; Q906-Y930 WeakPolarHBondContact O-CB 3.44Å; Q906-Y930 PolarHBondContact O-N 3Å; Q906-K932 VanDerWaalsContact NE2-CE 3.27Å; Q906-E944 PolarHBondContact NE2-OE1 3.22Å; Q906-E944 PolarHBondContact NE2-OE2 3.39Å
907	L	82.3	Confident	80.1	Confident	11 Å²	11	42 Å²	42	6%	0.058	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	144.7	175.1	-65.1	176.2	0	0	0	109.2	R790 L895 C898 L899 I905 L909 F927	R790-L907 HydrophobicContact CB-CD2 3.9Å; R790-L907 HydrophobicContact CG-CD2 3.99Å; L895-L907 HydrophobicContact CD1-CD1 3.58Å; C898-L907 HydrophobicContact CB-CD1 4.09Å; L899-L907 HydrophobicContact CD2-CD1 4.17Å; I905-L907 HydrophobicContact CG2-CD2 3.64Å; I905-L907 HydrophobicContact CG2-CG 4.01Å; L907-L909 HydrophobicContact CB-CD2 3.85Å; L907-F927 HydrophobicContact CD1-CB 4.38Å; L907-F927 HydrophobicContact CD1-CG 4.36Å; L907-F927 HydrophobicContact CD2-CB 4.14Å
908	D	84.3	Confident	79.9	Confident	19 Å²	19	41.6 Å²	41.6	10%	0.102	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	114.9	168.6	-167.6	-38.6	0	0	0	108.1	I910 H913 K928 Y930	D908-I910 WeakPolarHBondContact OD1-CB 3.43Å; D908-I910 VanDerWaalsContact OD1-CG1 3.31Å; D908-I910 WeakPolarHBondContact OD1-CG1 3.24Å; D908-I910 PolarHBondContact OD1-N 3.1Å; D908-I910 VanDerWaalsContact OD1-N 3.12Å; D908-H913 HydrophobicContact CB-CB 4.21Å; D908-H913 IonicContact OD1-CG 2.65Å; D908-H913 IonicContact OD1-ND1 2.67Å; D908-H913 PolarHBondContact OD1-ND1 2.64Å; D908-H913 IonicContact OD2-CE1 3.53Å; D908-H913 IonicContact OD2-CG 3.79Å; D908-H913 IonicContact OD2-ND1 2.62Å; D908-H913 PolarHBondContact OD2-ND1 2.78Å; D908-K928 HydrophobicContact CB-CB 4.2Å; D908-K928 PolarHBondContact N-O 2.91Å; D908-Y930 HydrophobicContact CB-CD2 4.41Å
909	L	87.4	Confident	79.4	Confident	15 Å²	15	41.8 Å²	41.8	8%	0.079	21%	0.213	C	C	.	.			trans	-102.2	7.1	-173.6	-57.7	-174.7	0	0	0	112.9	L895 L907 F927 N951 L952 L955	L895-L909 HydrophobicContact CD1-CD2 3.74Å; L895-L909 HydrophobicContact CD2-CD1 4.19Å; L895-L909 HydrophobicContact CD2-CD2 3.93Å; L907-L909 HydrophobicContact CB-CD2 3.85Å; L909-F927 HydrophobicContact CD2-CD1 4.19Å; L909-N951 HydrophobicContact CB-CB 4.32Å; L909-N951 HydrophobicContact CD1-CB 4.3Å; L909-N951 HydrophobicContact CG-CB 4.47Å; L909-L952 HydrophobicContact CD1-CB 4.39Å; L909-L955 HydrophobicContact CB-CB 4.14Å; L909-L955 HydrophobicContact CB-CD2 4.11Å; L909-L955 HydrophobicContact CD1-CD2 4.41Å; L909-L955 HydrophobicContact CD2-CD2 4.3Å
910	I	87.6	Confident	78.8	Confident	77 Å²	77	41.5 Å²	41.5	40%	0.395	22%	0.215	S	C	.	.			trans	-62.8	131.4	174.3	-60.9	171.8	0	0	0	108.4	D908 E912 H913 I914	D908-I910 WeakPolarHBondContact OD1-CB 3.43Å; D908-I910 VanDerWaalsContact OD1-CG1 3.31Å; D908-I910 WeakPolarHBondContact OD1-CG1 3.24Å; D908-I910 PolarHBondContact OD1-N 3.1Å; D908-I910 VanDerWaalsContact OD1-N 3.12Å; I910-E912 HydrophobicContact CG2-CB 4.27Å; I910-E912 HydrophobicContact CG2-CG 4.49Å; I910-E912 PolarHBondContact O-N 3.31Å; I910-H913 WeakPolarHBondContact O-CA 2.94Å; I910-H913 PolarHBondContact O-N 2.85Å; I910-I914 PolarHBondContact O-N 3.21Å
911	P	88.5	Confident	78.5	Confident	22 Å²	22	36.9 Å²	36.9	14%	0.143	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-15.9	-177.5	-29.9	37	0	0	0	116.4	L844 K845 A958	L844-P911 HydrophobicContact CB-CB 4.23Å; L844-P911 WeakPolarHBondContact CB-O 2.75Å; L844-P911 HydrophobicContact CD2-CB 4.15Å; L844-P911 HydrophobicContact CD2-CG 4.49Å; L844-P911 HydrophobicContact CG-CB 4.14Å; L844-P911 PolarHBondContact N-O 3.35Å; K845-P911 HydrophobicContact CB-CB 4.01Å; K845-P911 PolarHBondContact N-O 2.95Å; P911-A958 HydrophobicContact CG-CB 3.75Å
912	E	86.3	Confident	78.8	Confident	93 Å²	93	33.4 Å²	33.4	44%	0.435	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-24.5	171.2	-60.6	-172	-171.2	0	0	113.1	K845 I910	K845-E912 HydrophobicContact CB-CG 3.97Å; K845-E912 HydrophobicContact CD-CG 3.42Å; K845-E912 VanDerWaalsContact CD-CG 3.42Å; K845-E912 WeakPolarHBondContact CD-OE1 3.28Å; K845-E912 WeakPolarHBondContact CE-OE1 3.37Å; K845-E912 HydrophobicContact CG-CG 4.32Å; K845-E912 IonicContact NZ-OE1 3.41Å; K845-E912 PolarHBondContact NZ-OE1 3.29Å; I910-E912 HydrophobicContact CG2-CB 4.27Å; I910-E912 HydrophobicContact CG2-CG 4.49Å; I910-E912 PolarHBondContact O-N 3.31Å
913	H	88.1	Confident	80	Confident	56 Å²	56	31.6 Å²	31.6	26%	0.259	17%	0.167	S	C	.	.	S	Bend	trans	-100.9	8.9	-178	-62.6	163.5	0	0	0	113.2	W761 D908 I910 K928	W761-H913 WeakPolarHBondContact CH2-O 3.39Å; W761-H913 WeakPolarHBondContact CZ2-O 3.29Å; D908-H913 HydrophobicContact CB-CB 4.21Å; D908-H913 IonicContact OD1-CG 2.65Å; D908-H913 IonicContact OD1-ND1 2.67Å; D908-H913 PolarHBondContact OD1-ND1 2.64Å; D908-H913 IonicContact OD2-CE1 3.53Å; D908-H913 IonicContact OD2-CG 3.79Å; D908-H913 IonicContact OD2-ND1 2.62Å; D908-H913 PolarHBondContact OD2-ND1 2.78Å; I910-H913 WeakPolarHBondContact O-CA 2.94Å; I910-H913 PolarHBondContact O-N 2.85Å; H913-K928 HydrophobicContact CB-CB 4.36Å; H913-K928 HydrophobicContact CB-CD 4.09Å; H913-K928 HydrophobicContact CB-CG 4.32Å; H913-K928 PolarHBondContact O-N 2.8Å
914	I	90.9	Very high	81.2	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.4	168.9	-58.9	176	0	0	0	108.3	T843 L844 I910 T925 F927 L955	T843-I914 CarbonylContact C-O 3.21Å; T843-I914 WeakPolarHBondContact CA-O 3.36Å; L844-I914 HydrophobicContact CB-CB 4Å; L844-I914 HydrophobicContact CB-CG2 4.1Å; L844-I914 HydrophobicContact CD2-CB 4.37Å; L844-I914 HydrophobicContact CD2-CD1 3.95Å; L844-I914 HydrophobicContact CD2-CG2 4.34Å; L844-I914 PolarHBondContact N-O 2.94Å; I910-I914 PolarHBondContact O-N 3.21Å; I914-T925 HydrophobicContact CG2-CG2 3.62Å; I914-F927 HydrophobicContact CD1-CD1 4.14Å; I914-F927 HydrophobicContact CD1-CE1 4.11Å; I914-F927 HydrophobicContact CG1-CD1 3.94Å; I914-F927 HydrophobicContact CG1-CE1 4.32Å; I914-F927 HydrophobicContact CG2-CD1 4.46Å; I914-F927 HydrophobicContact CG2-CE1 4.38Å; I914-L955 HydrophobicContact CD1-CD1 3.71Å; I914-L955 HydrophobicContact CD1-CD2 4.03Å
915	L	90.4	Very high	82.7	Confident	2 Å²	2	19.9 Å²	19.9	1%	0.01	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	134.7	177.3	-178	72.3	0	0	0	110.4	I758 W761 I764 A841 I917 T925 I926	I758-L915 HydrophobicContact CD1-CD2 3.92Å; I758-L915 HydrophobicContact CG2-CD2 4.35Å; W761-L915 HydrophobicContact CD2-CB 4.27Å; W761-L915 HydrophobicContact CD2-CD2 4.08Å; W761-L915 HydrophobicContact CE3-CD2 4.43Å; W761-L915 HydrophobicContact CG-CD2 4.24Å; W761-L915 HydrophobicContact CH2-CB 3.77Å; W761-L915 HydrophobicContact CZ2-CB 3.44Å; W761-L915 VanDerWaalsContact CZ2-CB 3.44Å; W761-L915 HydrophobicContact CZ3-CB 4.35Å; I764-L915 HydrophobicContact CD1-CD2 3.69Å; A841-L915 HydrophobicContact CB-CD1 4.33Å; L915-I917 HydrophobicContact CD2-CG1 4.35Å; L915-T925 CarbonylContact O-C 3.49Å; L915-T925 WeakPolarHBondContact O-CA 3.27Å; L915-I926 HydrophobicContact CB-CB 4.37Å; L915-I926 PolarHBondContact N-O 2.98Å; L915-I926 PolarHBondContact O-N 2.94Å
916	L	90.4	Very high	83.8	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117	173.6	-58	175.3	0	0	0	108.6	A841 V842 L844 L847 I887 V891 T925	A841-L916 WeakPolarHBondContact CA-O 3.45Å; V842-L916 HydrophobicContact CG1-CB 4.1Å; V842-L916 PolarHBondContact N-O 2.92Å; V842-L916 PolarHBondContact O-N 3.35Å; L844-L916 HydrophobicContact CD1-CD1 4.08Å; L847-L916 HydrophobicContact CD2-CD1 3.53Å; I887-L916 HydrophobicContact CG2-CD1 3.93Å; V891-L916 HydrophobicContact CG2-CD2 4.04Å; L916-T925 HydrophobicContact CD2-CG2 4.01Å
917	I	85.8	Confident	84.6	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	106.5	167.5	-63.7	170.6	0	0	0	107.1	I758 V777 I838 L840 L915 L924 I926	I758-I917 HydrophobicContact CD1-CD1 4.48Å; V777-I917 HydrophobicContact CB-CD1 4.14Å; V777-I917 HydrophobicContact CG1-CD1 4Å; V777-I917 HydrophobicContact CG2-CD1 3.9Å; I838-I917 HydrophobicContact CB-CG2 4.19Å; I838-I917 HydrophobicContact CG1-CG2 4.17Å; L840-I917 CarbonylContact O-C 3.5Å; L840-I917 WeakPolarHBondContact O-CA 3.02Å; L915-I917 HydrophobicContact CD2-CG1 4.35Å; I917-L924 HydrophobicContact CB-CB 4.3Å; I917-L924 HydrophobicContact CD1-CD2 4.37Å; I917-L924 PolarHBondContact N-O 2.93Å; I917-L924 PolarHBondContact O-N 3.13Å; I917-I926 HydrophobicContact CD1-CD1 3.72Å
918	L	81.6	Confident	84.8	Confident	4 Å²	4	20.1 Å²	20.1	2%	0.021	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	139.7	-179.8	-72.2	164.2	0	0	0	110.2	L681 M684 S839 L840 V842 L847 F883 I887 C923 W1003	L681-L918 HydrophobicContact CD2-CD1 4.18Å; M684-L918 HydrophobicContact CE-CB 3.75Å; M684-L918 HydrophobicContact CE-CD1 4.23Å; M684-L918 HydrophobicContact SD-CB 3.99Å; S839-L918 WeakPolarHBondContact CB-O 3.46Å; S839-L918 PolarHBondContact N-O 2.81Å; L840-L918 HydrophobicContact CB-CB 4.21Å; L840-L918 HydrophobicContact CD2-CD1 4.1Å; L840-L918 PolarHBondContact N-O 3.02Å; L840-L918 PolarHBondContact O-N 2.87Å; V842-L918 HydrophobicContact CG1-CD1 4.01Å; L847-L918 HydrophobicContact CD2-CD1 4.5Å; F883-L918 HydrophobicContact CZ-CD2 4.42Å; I887-L918 HydrophobicContact CD1-CD2 4Å; L918-C923 HydrophobicContact CD2-CB 3.83Å; L918-C923 VanDerWaalsContact CD2-SG 3.51Å; L918-W1003 HydrophobicContact CD2-CZ2 4.24Å
919	T	74.9	Confident	84.7	Confident	6 Å²	6	22.2 Å²	22.2	4%	0.037	11%	0.114	C	C	.	.			trans	-141	163.4	169.6	65.6	0	0	0	0	107.8	S837 S921 N922 W1003	S837-T919 VanDerWaalsContact O-CG2 3.27Å; S837-T919 WeakPolarHBondContact O-CG2 3.29Å; T919-S921 PolarHBondContact O-N 3.49Å; T919-S921 PolarHBondContact OG1-N 3.13Å; T919-N922 PolarHBondContact N-O 3.26Å; T919-N922 VanDerWaalsContact N-O 3.1Å; T919-N922 PolarHBondContact OG1-N 3.26Å; T919-N922 PolarHBondContact OG1-O 2.9Å; T919-W1003 PolarHBondContact O-NE1 3.28Å
920	P	68.5	Low	84.1	Confident	54 Å²	54	23.8 Å²	23.8	35%	0.351	12%	0.12	S	C	.	.	S	Bend	trans	-53.3	-25.7	171.3	-26.4	34.7	0	0	0	113.4	M684	M684-P920 WeakPolarHBondContact O-CB 3.34Å; M684-P920 WeakPolarHBondContact O-CG 3.43Å
921	S	68.4	Low	83.1	Confident	15 Å²	15	23.4 Å²	23.4	11%	0.105	12%	0.116	C	C	.	.	S	Bend	trans	-115.2	-11.1	-163.3	-58.9	0	0	0	0	115.7	F740 T919 P1001	F740-S921 VanDerWaalsContact CE2-O 3.29Å; F740-S921 WeakPolarHBondContact CE2-O 3.26Å; F740-S921 WeakPolarHBondContact CZ-O 3.47Å; T919-S921 PolarHBondContact O-N 3.49Å; T919-S921 PolarHBondContact OG1-N 3.13Å; S921-P1001 WeakPolarHBondContact CA-O 3.31Å; S921-P1001 WeakPolarHBondContact CB-O 3.16Å; S921-P1001 PolarHBondContact OG-O 3.08Å
922	N	75.9	Confident	81.6	Confident	6 Å²	6	28.2 Å²	28.2	3%	0.032	14%	0.135	C	C	.	.			trans	-164.7	158.3	168.7	-175.9	61.4	0	0	0	111.1	F740 I796 H836 T919 W1003	F740-N922 HydrophobicContact CD1-CB 3.57Å; F740-N922 HydrophobicContact CD2-CB 3.97Å; F740-N922 HydrophobicContact CE1-CB 3.27Å; F740-N922 HydrophobicContact CE2-CB 3.68Å; F740-N922 HydrophobicContact CG-CB 3.95Å; F740-N922 HydrophobicContact CZ-CB 3.35Å; I796-N922 PolarHBondContact N-OD1 3.35Å; H836-N922 PolarHBondContact NE2-ND2 3.07Å; T919-N922 PolarHBondContact N-O 3.26Å; T919-N922 VanDerWaalsContact N-O 3.1Å; T919-N922 PolarHBondContact OG1-N 3.26Å; T919-N922 PolarHBondContact OG1-O 2.9Å; N922-W1003 VanDerWaalsContact CA-CD1 3.49Å; N922-W1003 VanDerWaalsContact N-CD1 3.31Å
923	C	85.2	Confident	79.8	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	123.2	162.3	-175.3	0	0	0	0	109.7	I887 N890 L918 W1003	I887-C923 HydrophobicContact CD1-CB 4.46Å; N890-C923 WeakPolarHBondContact ND2-CB 3.43Å; N890-C923 PolarHBondContact ND2-O 3.06Å; N890-C923 PolarHBondContact ND2-SG 3.03Å; L918-C923 HydrophobicContact CD2-CB 3.83Å; L918-C923 VanDerWaalsContact CD2-SG 3.51Å; C923-W1003 HydrophobicContact CB-CH2 4.06Å; C923-W1003 HydrophobicContact CB-CZ2 3.81Å
924	L	87.8	Confident	78.1	Confident	5 Å²	5	35.8 Å²	35.8	3%	0.026	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.9	173.6	174.1	68	0	0	0	110	L779 F791 P792 H836 I917 I926	L779-L924 HydrophobicContact CD1-CD2 3.66Å; F791-L924 HydrophobicContact CB-CD1 4.35Å; P792-L924 HydrophobicContact CG-CD1 3.92Å; H836-L924 HydrophobicContact CB-CD2 4.16Å; I917-L924 HydrophobicContact CB-CB 4.3Å; I917-L924 HydrophobicContact CD1-CD2 4.37Å; I917-L924 PolarHBondContact N-O 2.93Å; I917-L924 PolarHBondContact O-N 3.13Å; L924-I926 HydrophobicContact CD2-CD1 4.09Å; L924-I926 HydrophobicContact CD2-CG1 4.21Å; L924-I926 HydrophobicContact CG-CG1 4.11Å
925	T	91.5	Very high	76.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.8	173.9	-44	0	0	0	0	110	P792 N890 V891 S894 I914 L915 L916 F927	P792-T925 WeakPolarHBondContact CD-O 3.2Å; N890-T925 PolarHBondContact ND2-OG1 3.1Å; N890-T925 VanDerWaalsContact ND2-OG1 3.11Å; V891-T925 HydrophobicContact CG2-CG2 4.27Å; S894-T925 WeakPolarHBondContact OG-CB 3.29Å; S894-T925 PolarHBondContact OG-OG1 2.84Å; I914-T925 HydrophobicContact CG2-CG2 3.62Å; L915-T925 CarbonylContact O-C 3.49Å; L915-T925 WeakPolarHBondContact O-CA 3.27Å; L916-T925 HydrophobicContact CD2-CG2 4.01Å; T925-F927 HydrophobicContact CG2-CD2 4.43Å; T925-F927 HydrophobicContact CG2-CE1 3.96Å; T925-F927 HydrophobicContact CG2-CE2 3.77Å; T925-F927 HydrophobicContact CG2-CZ 3.48Å; T925-F927 VanDerWaalsContact CG2-CZ 3.48Å
926	I	90.3	Very high	73.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.9	174	-50.1	-177.2	0	0	0	108.5	W761 I764 L779 I789 R790 F791 L915 I917 L924	W761-I926 HydrophobicContact CH2-CG2 4.46Å; W761-I926 WeakPolarHBondContact CH2-O 3.32Å; W761-I926 HydrophobicContact CZ3-CB 4.4Å; W761-I926 HydrophobicContact CZ3-CG2 3.83Å; I764-I926 HydrophobicContact CD1-CD1 3.82Å; I764-I926 HydrophobicContact CD1-CG2 4.29Å; L779-I926 HydrophobicContact CD2-CD1 3.89Å; I789-I926 HydrophobicContact CB-CG2 3.9Å; I789-I926 HydrophobicContact CD1-CG2 4.43Å; I789-I926 HydrophobicContact CG2-CG2 4.37Å; R790-I926 WeakPolarHBondContact O-CA 3.37Å; F791-I926 HydrophobicContact CB-CG1 4.06Å; F791-I926 HydrophobicContact CB-CG2 4.42Å; L915-I926 HydrophobicContact CB-CB 4.37Å; L915-I926 PolarHBondContact N-O 2.98Å; L915-I926 PolarHBondContact O-N 2.94Å; I917-I926 HydrophobicContact CD1-CD1 3.72Å; L924-I926 HydrophobicContact CD2-CD1 4.09Å; L924-I926 HydrophobicContact CD2-CG1 4.21Å; L924-I926 HydrophobicContact CG-CG1 4.11Å
927	F	90.3	Very high	71.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	146.1	179.2	-53.8	-91	0	0	0	109.6	I789 R790 V891 L895 L907 L909 I914 T925	I789-F927 CarbonylContact C-O 3.53Å; I789-F927 VanDerWaalsContact CA-O 3.29Å; I789-F927 WeakPolarHBondContact CA-O 3.37Å; R790-F927 PolarHBondContact N-O 2.95Å; R790-F927 PolarHBondContact O-N 3.41Å; V891-F927 HydrophobicContact CG1-CE1 4.45Å; L895-F927 HydrophobicContact CB-CE1 4.05Å; L895-F927 HydrophobicContact CB-CE2 4.46Å; L895-F927 HydrophobicContact CB-CZ 3.67Å; L895-F927 HydrophobicContact CD1-CD1 4.4Å; L895-F927 HydrophobicContact CD1-CE1 4.06Å; L895-F927 HydrophobicContact CD1-CZ 4.25Å; L895-F927 HydrophobicContact CD2-CE1 4.5Å; L895-F927 HydrophobicContact CG-CE1 4.43Å; L895-F927 HydrophobicContact CG-CZ 4.47Å; L907-F927 HydrophobicContact CD1-CB 4.38Å; L907-F927 HydrophobicContact CD1-CG 4.36Å; L907-F927 HydrophobicContact CD2-CB 4.14Å; L909-F927 HydrophobicContact CD2-CD1 4.19Å; I914-F927 HydrophobicContact CD1-CD1 4.14Å; I914-F927 HydrophobicContact CD1-CE1 4.11Å; I914-F927 HydrophobicContact CG1-CD1 3.94Å; I914-F927 HydrophobicContact CG1-CE1 4.32Å; I914-F927 HydrophobicContact CG2-CD1 4.46Å; I914-F927 HydrophobicContact CG2-CE1 4.38Å; T925-F927 HydrophobicContact CG2-CD2 4.43Å; T925-F927 HydrophobicContact CG2-CE1 3.96Å; T925-F927 HydrophobicContact CG2-CE2 3.77Å; T925-F927 HydrophobicContact CG2-CZ 3.48Å; T925-F927 VanDerWaalsContact CG2-CZ 3.48Å
928	K	86.9	Confident	68.9	Low	47 Å²	47	55.5 Å²	55.5	20%	0.204	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	150.2	163.8	-65.6	-173.3	177.9	-179.3	0	110.8	N760 W761 K788 D908 H913	N760-K928 PolarHBondContact O-NZ 3.27Å; W761-K928 VanDerWaalsContact CE2-CE 3.46Å; W761-K928 HydrophobicContact CE3-CG 4.24Å; W761-K928 HydrophobicContact CH2-CD 4.24Å; W761-K928 HydrophobicContact CH2-CG 3.44Å; W761-K928 VanDerWaalsContact CH2-CG 3.44Å; W761-K928 HydrophobicContact CZ2-CD 4.3Å; W761-K928 HydrophobicContact CZ2-CG 3.97Å; W761-K928 HydrophobicContact CZ3-CD 4.44Å; W761-K928 HydrophobicContact CZ3-CG 3.57Å; K788-K928 CarbonylContact O-C 3.57Å; K788-K928 WeakPolarHBondContact O-CA 3.4Å; D908-K928 HydrophobicContact CB-CB 4.2Å; D908-K928 PolarHBondContact N-O 2.91Å; H913-K928 HydrophobicContact CB-CB 4.36Å; H913-K928 HydrophobicContact CB-CD 4.09Å; H913-K928 HydrophobicContact CB-CG 4.32Å; H913-K928 PolarHBondContact O-N 2.8Å
929	Q	81.3	Confident	67.2	Low	63 Å²	63	62.4 Å²	62.4	29%	0.294	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	141.4	164.2	-171.3	175.7	-7.5	0	0	109.2	Q787 K788 I905 Q906 E931	Q787-Q929 PolarHBondContact O-OE1 3.37Å; Q787-Q929 VanDerWaalsContact O-OE1 3.09Å; K788-Q929 PolarHBondContact O-N 2.88Å; I905-Q929 HydrophobicContact CG2-CG 4.16Å; Q906-Q929 WeakPolarHBondContact O-CG 3.24Å; Q929-E931 PolarHBondContact O-N 3.4Å
930	Y	74.8	Confident	66.1	Low	47 Å²	47	66.2 Å²	66.2	18%	0.184	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-69.5	124.4	177	-164.2	-92.3	0	0	0	110.8	Q906 D908 K932 L935	Q906-Y930 WeakPolarHBondContact O-CB 3.44Å; Q906-Y930 PolarHBondContact O-N 3Å; D908-Y930 HydrophobicContact CB-CD2 4.41Å; Y930-K932 PolarHBondContact O-N 3.12Å; Y930-L935 HydrophobicContact CE1-CD1 4.45Å
931	E	66.9	Low	65.2	Low	69 Å²	69	69.9 Å²	69.9	32%	0.322	37%	0.368	S	S	.	.			trans	-83.3	104.6	176.8	-68.3	-178.4	138.6	0	0	109.8	K788 Q929 D933 K934	K788-E931 IonicContact NZ-OE1 3.43Å; K788-E931 PolarHBondContact NZ-OE1 3.08Å; Q929-E931 PolarHBondContact O-N 3.4Å; E931-D933 PolarHBondContact O-N 3.17Å; E931-K934 HydrophobicContact CB-CD 4.46Å; E931-K934 PolarHBondContact O-N 2.89Å; E931-K934 IonicContact OE2-NZ 2.69Å; E931-K934 PolarHBondContact OE2-NZ 2.9Å
932	K	56.6	Low	64.1	Low	123 Å²	123	76.5 Å²	76.5	54%	0.535	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-55.6	-26.2	-175.4	-68.7	-161.5	172.7	-157.6	0	114.1	Q906 Y930 K934 L935 E944	Q906-K932 VanDerWaalsContact NE2-CE 3.27Å; Y930-K932 PolarHBondContact O-N 3.12Å; K932-K934 PolarHBondContact O-N 3.28Å; K932-L935 PolarHBondContact O-N 3.01Å; K932-L935 VanDerWaalsContact O-N 3.15Å; K932-E944 IonicContact NZ-OE2 2.7Å; K932-E944 PolarHBondContact NZ-OE2 2.89Å
933	D	50	Low	62.8	Low	160 Å²	160	78.5 Å²	78.5	86%	0.856	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-65.8	-5.2	-177.6	-50.2	-37.3	0	0	0	114.4	E931	E931-D933 PolarHBondContact O-N 3.17Å
934	K	51.6	Low	61	Low	149 Å²	149	80.9 Å²	80.9	65%	0.648	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-97.5	-2	176.8	-70.4	167.8	178.8	158.8	0	114.1	E931 K932	E931-K934 HydrophobicContact CB-CD 4.46Å; E931-K934 PolarHBondContact O-N 2.89Å; E931-K934 IonicContact OE2-NZ 2.69Å; E931-K934 PolarHBondContact OE2-NZ 2.9Å; K932-K934 PolarHBondContact O-N 3.28Å
935	L	48.4	Very low	59.2	Low	59 Å²	59	84.3 Å²	84.3	31%	0.309	44%	0.439	S	S	.	.	S	Bend	trans	-90.6	133.3	-177.8	-154.6	74.8	0	0	0	111.5	Y930 K932 N937 L947	Y930-L935 HydrophobicContact CE1-CD1 4.45Å; K932-L935 PolarHBondContact O-N 3.01Å; K932-L935 VanDerWaalsContact O-N 3.15Å; L935-N937 PolarHBondContact O-N 3.13Å; L935-L947 HydrophobicContact CD1-CD1 3.54Å; L935-L947 HydrophobicContact CD1-CD2 4.27Å; L935-L947 HydrophobicContact CD2-CD1 3.67Å; L935-L947 HydrophobicContact CG-CD1 4.26Å
936	P	38.7	Very low	57.1	Low	97 Å²	97	88.6 Å²	88.6	63%	0.63	46%	0.461	S	S	*	.			trans	-65.3	126	174.3	26	-34	0	0	0	111.2	T938	P936-T938 PolarHBondContact O-N 3.1Å; P936-T938 PolarHBondContact O-OG1 3.3Å
937	N	39.5	Very low	55.1	Low	173 Å²	173	90.6 Å²	90.6	93%	0.925	47%	0.471	S	S	*	.	S	Bend	trans	-54.2	95.9	-178.3	-79.3	-34	0	0	0	112.6	L935	L935-N937 PolarHBondContact O-N 3.13Å
938	T	38.6	Very low	53.6	Low	86 Å²	86	94.3 Å²	94.3	53%	0.528	49%	0.487	S	S	.	.			trans	-148.8	154.2	175.6	45.1	0	0	0	0	109.2	P936 N943	P936-T938 PolarHBondContact O-N 3.1Å; P936-T938 PolarHBondContact O-OG1 3.3Å; T938-N943 PolarHBondContact O-ND2 3.06Å; T938-N943 PolarHBondContact OG1-ND2 2.83Å
939	D	44.9	Very low	52.3	Low	149 Å²	149	98.2 Å²	98.2	80%	0.797	51%	0.506	S	S	*	.			trans	-55.3	133.4	-153.3	-68	-64.6	0	0	0	116.4	N941	D939-N941 PolarHBondContact O-N 2.82Å
940	S	50.9	Low	51.6	Low	87 Å²	87	98.4 Å²	98.4	61%	0.608	51%	0.512	S	S	*	.	H	α-helix	trans	-77.9	-14.9	-147.5	50.1	0	0	0	0	116.8
941	N	49.9	Very low	51.8	Low	131 Å²	131	97.8 Å²	97.8	70%	0.701	51%	0.512	S	S	*	.	H	α-helix	trans	-95.3	-35.8	-170.6	-72.9	-11.2	0	0	0	114.5	D939	D939-N941 PolarHBondContact O-N 2.82Å
942	H	45.8	Very low	52.6	Low	153 Å²	153	95.9 Å²	95.9	71%	0.708	50%	0.504	S	S	*	.	H	α-helix	trans	-79.4	-41.4	179.4	-74.3	-68.5	0	0	0	111.7	E944 V945 I946	H942-E944 VanDerWaalsContact C-N 3.28Å; H942-E944 PolarHBondContact O-N 2.92Å; H942-V945 PolarHBondContact O-N 3.37Å; H942-I946 WeakPolarHBondContact O-CG1 3.38Å; H942-I946 PolarHBondContact O-N 2.9Å
943	N	47.8	Very low	53.9	Low	48 Å²	48	92.5 Å²	92.5	26%	0.257	49%	0.49	S	S	.	.	H	α-helix	trans	-58.3	-37.4	177.3	-75.8	-20.9	0	0	0	112.5	T938 V945 I946 L947	T938-N943 PolarHBondContact O-ND2 3.06Å; T938-N943 PolarHBondContact OG1-ND2 2.83Å; N943-V945 VanDerWaalsContact C-N 3.32Å; N943-V945 PolarHBondContact O-N 3.23Å; N943-I946 PolarHBondContact O-N 3.46Å; N943-L947 HydrophobicContact CB-CD1 4.29Å; N943-L947 WeakPolarHBondContact O-CB 3.2Å; N943-L947 VanDerWaalsContact O-CD1 3.31Å; N943-L947 WeakPolarHBondContact O-CD1 3.42Å; N943-L947 WeakPolarHBondContact O-CG 3.45Å; N943-L947 PolarHBondContact O-N 3.32Å
944	E	48.7	Very low	55.5	Low	53 Å²	53	88.5 Å²	88.5	25%	0.248	47%	0.474	C	S	.	.	H	α-helix	trans	-65.9	-29.8	-179.6	175.4	153.9	-171.5	0	0	113.7	Q906 K932 H942 K948	Q906-E944 PolarHBondContact NE2-OE1 3.22Å; Q906-E944 PolarHBondContact NE2-OE2 3.39Å; K932-E944 IonicContact NZ-OE2 2.7Å; K932-E944 PolarHBondContact NZ-OE2 2.89Å; H942-E944 VanDerWaalsContact C-N 3.28Å; H942-E944 PolarHBondContact O-N 2.92Å; E944-K948 HydrophobicContact CG-CD 4.46Å; E944-K948 WeakPolarHBondContact O-CD 3.36Å; E944-K948 VanDerWaalsContact O-CG 3.28Å; E944-K948 WeakPolarHBondContact O-CG 3.35Å; E944-K948 VanDerWaalsContact OE1-CE 3.31Å; E944-K948 WeakPolarHBondContact OE1-CE 3.48Å; E944-K948 IonicContact OE1-NZ 2.63Å; E944-K948 PolarHBondContact OE1-NZ 3.28Å
945	V	50.3	Low	57.3	Low	77 Å²	77	81.4 Å²	81.4	47%	0.467	44%	0.443	S	S	.	.	H	α-helix	trans	-77.5	-51.1	174.2	-178.1	0	0	0	0	110	H942 N943 L947 K948 E949	H942-V945 PolarHBondContact O-N 3.37Å; N943-V945 VanDerWaalsContact C-N 3.32Å; N943-V945 PolarHBondContact O-N 3.23Å; V945-L947 VanDerWaalsContact C-N 3.28Å; V945-L947 PolarHBondContact O-N 3.22Å; V945-K948 PolarHBondContact O-N 2.86Å; V945-E949 PolarHBondContact O-N 2.62Å; V945-E949 VanDerWaalsContact O-N 3.07Å
946	I	46.2	Very low	59.4	Low	89 Å²	89	78.6 Å²	78.6	46%	0.456	43%	0.428	S	S	.	.	H	α-helix	trans	-58.9	-39.4	-178.2	-63.6	166.7	0	0	0	111.2	H942 N943 K948 E949 T950	H942-I946 WeakPolarHBondContact O-CG1 3.38Å; H942-I946 PolarHBondContact O-N 2.9Å; N943-I946 PolarHBondContact O-N 3.46Å; I946-K948 PolarHBondContact O-N 3.12Å; I946-E949 PolarHBondContact O-N 3.34Å; I946-T950 HydrophobicContact CG2-CG2 4.21Å; I946-T950 WeakPolarHBondContact O-CB 3.44Å; I946-T950 WeakPolarHBondContact O-CG2 3.23Å; I946-T950 PolarHBondContact O-N 3.13Å; I946-T950 PolarHBondContact O-OG1 3.27Å
947	L	49.7	Very low	61.7	Low	42 Å²	42	78.2 Å²	78.2	22%	0.22	42%	0.421	C	S	.	.	H	α-helix	trans	-69	-29.5	176.2	-72.6	163.2	0	0	0	113.1	L935 N943 V945 T950 N951	L935-L947 HydrophobicContact CD1-CD1 3.54Å; L935-L947 HydrophobicContact CD1-CD2 4.27Å; L935-L947 HydrophobicContact CD2-CD1 3.67Å; L935-L947 HydrophobicContact CG-CD1 4.26Å; N943-L947 HydrophobicContact CB-CD1 4.29Å; N943-L947 WeakPolarHBondContact O-CB 3.2Å; N943-L947 VanDerWaalsContact O-CD1 3.31Å; N943-L947 WeakPolarHBondContact O-CD1 3.42Å; N943-L947 WeakPolarHBondContact O-CG 3.45Å; N943-L947 PolarHBondContact O-N 3.32Å; V945-L947 VanDerWaalsContact C-N 3.28Å; V945-L947 PolarHBondContact O-N 3.22Å; L947-T950 WeakPolarHBondContact CA-OG1 3.42Å; L947-N951 WeakPolarHBondContact O-CB 3.26Å; L947-N951 PolarHBondContact O-N 2.95Å; L947-N951 VanDerWaalsContact O-N 3.15Å; L947-N951 PolarHBondContact O-ND2 2.6Å
948	K	58.8	Low	64	Low	78 Å²	78	71.3 Å²	71.3	34%	0.339	39%	0.388	S	S	.	.	H	α-helix	trans	-75	-39.5	176.6	-74.5	173.3	-173.2	176.1	0	111.3	E944 V945 I946 L952	E944-K948 HydrophobicContact CG-CD 4.46Å; E944-K948 WeakPolarHBondContact O-CD 3.36Å; E944-K948 VanDerWaalsContact O-CG 3.28Å; E944-K948 WeakPolarHBondContact O-CG 3.35Å; E944-K948 VanDerWaalsContact OE1-CE 3.31Å; E944-K948 WeakPolarHBondContact OE1-CE 3.48Å; E944-K948 IonicContact OE1-NZ 2.63Å; E944-K948 PolarHBondContact OE1-NZ 3.28Å; V945-K948 PolarHBondContact O-N 2.86Å; I946-K948 PolarHBondContact O-N 3.12Å; K948-L952 WeakPolarHBondContact O-CB 3.32Å; K948-L952 PolarHBondContact O-N 3.45Å
949	E	59.5	Low	66.5	Low	129 Å²	129	67.4 Å²	67.4	60%	0.603	36%	0.364	S	S	*	.	H	α-helix	trans	-72.3	-46.2	178.2	-69.1	171.7	176.2	0	0	111.7	V945 I946 L952 Q953	V945-E949 PolarHBondContact O-N 2.62Å; V945-E949 VanDerWaalsContact O-N 3.07Å; I946-E949 PolarHBondContact O-N 3.34Å; E949-L952 PolarHBondContact O-N 3.36Å; E949-Q953 PolarHBondContact O-N 2.55Å
950	T	66.4	Low	68.5	Low	67 Å²	67	66 Å²	66	41%	0.411	35%	0.352	S	S	.	.	H	α-helix	trans	-66.3	-44.4	177.9	51	0	0	0	0	112.6	I946 L947 L952 Q953 C954	I946-T950 HydrophobicContact CG2-CG2 4.21Å; I946-T950 WeakPolarHBondContact O-CB 3.44Å; I946-T950 WeakPolarHBondContact O-CG2 3.23Å; I946-T950 PolarHBondContact O-N 3.13Å; I946-T950 PolarHBondContact O-OG1 3.27Å; L947-T950 WeakPolarHBondContact CA-OG1 3.42Å; T950-L952 VanDerWaalsContact C-N 3.26Å; T950-L952 PolarHBondContact O-N 3.16Å; T950-Q953 PolarHBondContact O-N 3.11Å; T950-C954 PolarHBondContact O-N 3.06Å; T950-C954 PolarHBondContact O-SG 2.92Å
951	N	77.9	Confident	70.3	Confident	34 Å²	34	62.1 Å²	62.1	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-31.9	175.1	-76.1	-43	0	0	0	112.7	L909 L947 L955	L909-N951 HydrophobicContact CB-CB 4.32Å; L909-N951 HydrophobicContact CD1-CB 4.3Å; L909-N951 HydrophobicContact CG-CB 4.47Å; L947-N951 WeakPolarHBondContact O-CB 3.26Å; L947-N951 PolarHBondContact O-N 2.95Å; L947-N951 VanDerWaalsContact O-N 3.15Å; L947-N951 PolarHBondContact O-ND2 2.6Å; N951-L955 PolarHBondContact O-N 3.36Å
952	L	84.6	Confident	71.8	Confident	30 Å²	30	64.5 Å²	64.5	16%	0.157	33%	0.332	C	S	.	.	H	α-helix	trans	-69.1	-49.1	173.4	178	57.7	0	0	0	110.9	L895 L909 K948 E949 T950 C954 L955 L956 M966	L895-L952 HydrophobicContact CD2-CD1 4.4Å; L909-L952 HydrophobicContact CD1-CB 4.39Å; K948-L952 WeakPolarHBondContact O-CB 3.32Å; K948-L952 PolarHBondContact O-N 3.45Å; E949-L952 PolarHBondContact O-N 3.36Å; T950-L952 VanDerWaalsContact C-N 3.26Å; T950-L952 PolarHBondContact O-N 3.16Å; L952-C954 VanDerWaalsContact C-N 3.34Å; L952-C954 PolarHBondContact O-N 2.86Å; L952-L955 PolarHBondContact O-N 3.43Å; L952-L955 VanDerWaalsContact O-N 3.1Å; L952-L956 HydrophobicContact CD1-CD1 4.1Å; L952-L956 HydrophobicContact CD1-CG 4.09Å; L952-L956 HydrophobicContact CG-CD1 3.94Å; L952-L956 HydrophobicContact CG-CG 4.36Å; L952-L956 WeakPolarHBondContact O-CG 3.33Å; L952-L956 PolarHBondContact O-N 3.32Å; L952-M966 HydrophobicContact CD1-CE 3.44Å; L952-M966 VanDerWaalsContact CD1-CE 3.44Å; L952-M966 HydrophobicContact CD2-CE 4Å; L952-M966 HydrophobicContact CG-CE 4.39Å
953	Q	83.4	Confident	73.6	Confident	51 Å²	51	57.8 Å²	57.8	24%	0.238	30%	0.302	C	S	.	.	H	α-helix	trans	-59.2	-44.7	178.9	-169.9	61.9	64.3	0	0	111	E949 T950 L955 L956 D957 H964	E949-Q953 PolarHBondContact O-N 2.55Å; T950-Q953 PolarHBondContact O-N 3.11Å; Q953-L955 VanDerWaalsContact C-N 3.27Å; Q953-L955 PolarHBondContact O-N 3.3Å; Q953-L956 CarbonylContact O-C 3.57Å; Q953-L956 WeakPolarHBondContact O-CA 3.37Å; Q953-L956 PolarHBondContact O-N 2.71Å; Q953-D957 PolarHBondContact NE2-OD1 3.45Å; Q953-D957 WeakPolarHBondContact O-CB 3.4Å; Q953-D957 PolarHBondContact O-N 3.04Å; Q953-H964 PolarHBondContact OE1-ND1 2.71Å
954	C	84	Confident	74.9	Confident	77 Å²	77	63 Å²	63	52%	0.52	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-32.1	176.1	-65.5	0	0	0	0	113.9	T950 L952 A958	T950-C954 PolarHBondContact O-N 3.06Å; T950-C954 PolarHBondContact O-SG 2.92Å; L952-C954 VanDerWaalsContact C-N 3.34Å; L952-C954 PolarHBondContact O-N 2.86Å; C954-A958 WeakPolarHBondContact O-CB 3.45Å; C954-A958 PolarHBondContact O-N 3.39Å; C954-A958 VanDerWaalsContact O-N 3.16Å
955	L	90.3	Very high	76.5	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-72.5	-39.8	172.1	176	60.9	0	0	0	111.7	L844 V891 L895 L909 I914 N951 L952 Q953 A958 L959	L844-L955 HydrophobicContact CD2-CD1 3.8Å; V891-L955 HydrophobicContact CG1-CD2 4.39Å; L895-L955 HydrophobicContact CD2-CD2 3.69Å; L909-L955 HydrophobicContact CB-CB 4.14Å; L909-L955 HydrophobicContact CB-CD2 4.11Å; L909-L955 HydrophobicContact CD1-CD2 4.41Å; L909-L955 HydrophobicContact CD2-CD2 4.3Å; I914-L955 HydrophobicContact CD1-CD1 3.71Å; I914-L955 HydrophobicContact CD1-CD2 4.03Å; N951-L955 PolarHBondContact O-N 3.36Å; L952-L955 PolarHBondContact O-N 3.43Å; L952-L955 VanDerWaalsContact O-N 3.1Å; Q953-L955 VanDerWaalsContact C-N 3.27Å; Q953-L955 PolarHBondContact O-N 3.3Å; L955-A958 PolarHBondContact O-N 3.47Å; L955-L959 HydrophobicContact CD1-CD1 4Å; L955-L959 HydrophobicContact CD1-CG 4.09Å; L955-L959 HydrophobicContact CG-CD1 4Å; L955-L959 HydrophobicContact CG-CG 4.47Å; L955-L959 WeakPolarHBondContact O-CB 3.42Å; L955-L959 VanDerWaalsContact O-CG 3.23Å; L955-L959 WeakPolarHBondContact O-CG 3.37Å; L955-L959 PolarHBondContact O-N 2.99Å
956	L	90.8	Very high	78.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.5	-40.3	177	-65.5	174.5	0	0	0	111.7	L892 L952 Q953 L959 H960 I961 S963 S969	L892-L956 HydrophobicContact CD2-CD2 3.76Å; L952-L956 HydrophobicContact CD1-CD1 4.1Å; L952-L956 HydrophobicContact CD1-CG 4.09Å; L952-L956 HydrophobicContact CG-CD1 3.94Å; L952-L956 HydrophobicContact CG-CG 4.36Å; L952-L956 WeakPolarHBondContact O-CG 3.33Å; L952-L956 PolarHBondContact O-N 3.32Å; Q953-L956 CarbonylContact O-C 3.57Å; Q953-L956 WeakPolarHBondContact O-CA 3.37Å; Q953-L956 PolarHBondContact O-N 2.71Å; L956-L959 CarbonylContact O-C 3.39Å; L956-L959 PolarHBondContact O-N 2.92Å; L956-H960 PolarHBondContact O-N 3.27Å; L956-I961 HydrophobicContact CB-CB 4.33Å; L956-I961 HydrophobicContact CD2-CB 4.27Å; L956-I961 HydrophobicContact CD2-CD1 4.08Å; L956-I961 HydrophobicContact CD2-CG2 4.26Å; L956-I961 PolarHBondContact O-N 2.77Å; L956-S963 WeakPolarHBondContact CD1-O 3.38Å; L956-S969 WeakPolarHBondContact CD1-OG 3.25Å; L956-S969 WeakPolarHBondContact CD2-OG 3.26Å
957	D	87.9	Confident	80.1	Confident	88 Å²	88	59.8 Å²	59.8	47%	0.471	31%	0.31	S	S	.	.	H	α-helix	trans	-60	-49.1	173.7	-60.8	-23.8	0	0	0	110.7	Q953 L959 H960	Q953-D957 PolarHBondContact NE2-OD1 3.45Å; Q953-D957 WeakPolarHBondContact O-CB 3.4Å; Q953-D957 PolarHBondContact O-N 3.04Å; D957-L959 VanDerWaalsContact C-N 3.35Å; D957-L959 PolarHBondContact O-N 2.97Å; D957-H960 WeakPolarHBondContact O-CA 3.44Å; D957-H960 PolarHBondContact O-N 2.86Å
958	A	88.1	Confident	81.9	Confident	29 Å²	29	61.6 Å²	61.6	24%	0.24	32%	0.32	C	S	.	.	H	α-helix	trans	-63.3	-38	176.1	0	0	0	0	0	112.7	P911 C954 L955 H960	P911-A958 HydrophobicContact CG-CB 3.75Å; C954-A958 WeakPolarHBondContact O-CB 3.45Å; C954-A958 PolarHBondContact O-N 3.39Å; C954-A958 VanDerWaalsContact O-N 3.16Å; L955-A958 PolarHBondContact O-N 3.47Å; A958-H960 PolarHBondContact O-N 3.3Å; A958-H960 PolarHBondContact O-ND1 2.88Å
959	L	90	Very high	83.4	Confident	3 Å²	3	57.9 Å²	57.9	2%	0.016	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-1	171.3	-67.7	174.5	0	0	0	113	L844 K888 V891 L892 L955 L956 D957 I961	L844-L959 HydrophobicContact CD1-CD2 4.2Å; L844-L959 HydrophobicContact CD2-CD2 4.11Å; K888-L959 WeakPolarHBondContact CD-O 3.38Å; K888-L959 WeakPolarHBondContact CE-O 3.39Å; K888-L959 HydrophobicContact CG-CD2 4.25Å; K888-L959 PolarHBondContact NZ-O 3.32Å; V891-L959 HydrophobicContact CG1-CD1 4.29Å; L892-L959 HydrophobicContact CD2-CD1 4.23Å; L892-L959 HydrophobicContact CG-CD1 4.49Å; L955-L959 HydrophobicContact CD1-CD1 4Å; L955-L959 HydrophobicContact CD1-CG 4.09Å; L955-L959 HydrophobicContact CG-CD1 4Å; L955-L959 HydrophobicContact CG-CG 4.47Å; L955-L959 WeakPolarHBondContact O-CB 3.42Å; L955-L959 VanDerWaalsContact O-CG 3.23Å; L955-L959 WeakPolarHBondContact O-CG 3.37Å; L955-L959 PolarHBondContact O-N 2.99Å; L956-L959 CarbonylContact O-C 3.39Å; L956-L959 PolarHBondContact O-N 2.92Å; D957-L959 VanDerWaalsContact C-N 3.35Å; D957-L959 PolarHBondContact O-N 2.97Å; L959-I961 HydrophobicContact CB-CD1 3.74Å; L959-I961 HydrophobicContact CB-CG1 4.06Å; L959-I961 HydrophobicContact CD1-CD1 4.27Å
960	H	87.8	Confident	84.9	Confident	120 Å²	120	51.8 Å²	51.8	56%	0.556	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	63.6	-175.2	-63.3	66.8	0	0	0	111.7	E852 K888 L956 D957 A958	E852-H960 IonicContact OE1-CE1 2.72Å; E852-H960 PolarHBondContact OE1-CE1 3.48Å; K888-H960 PolarHBondContact NZ-O 3.25Å; L956-H960 PolarHBondContact O-N 3.27Å; D957-H960 WeakPolarHBondContact O-CA 3.44Å; D957-H960 PolarHBondContact O-N 2.86Å; A958-H960 PolarHBondContact O-N 3.3Å; A958-H960 PolarHBondContact O-ND1 2.88Å
961	I	88.1	Confident	86	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.026	27%	0.27	C	S	.	.			trans	-132.4	128.9	-179.7	-58.8	172.2	0	0	0	108.7	K888 L892 L956 L959 S963 V973	K888-I961 HydrophobicContact CD-CD1 4.36Å; K888-I961 HydrophobicContact CD-CG1 4.38Å; L892-I961 HydrophobicContact CD1-CD1 3.85Å; L956-I961 HydrophobicContact CB-CB 4.33Å; L956-I961 HydrophobicContact CD2-CB 4.27Å; L956-I961 HydrophobicContact CD2-CD1 4.08Å; L956-I961 HydrophobicContact CD2-CG2 4.26Å; L956-I961 PolarHBondContact O-N 2.77Å; L959-I961 HydrophobicContact CB-CD1 3.74Å; L959-I961 HydrophobicContact CB-CG1 4.06Å; L959-I961 HydrophobicContact CD1-CD1 4.27Å; I961-S963 WeakPolarHBondContact CG2-OG 3.03Å; I961-V973 HydrophobicContact CD1-CG2 3.5Å; I961-V973 HydrophobicContact CG1-CG2 4.03Å
962	Q	82.9	Confident	86.5	Confident	182 Å²	182	52.6 Å²	52.6	85%	0.85	28%	0.277	S	S	*	.			trans	-94.3	-8	-171.7	-67	178.8	-22.9	0	0	114.6
963	S	81.7	Confident	86.8	Confident	11 Å²	11	51.1 Å²	51.1	8%	0.077	27%	0.269	C	S	.	.			trans	-75.2	150.3	-179.2	1.5	0	0	0	0	112.3	L956 I961 S969 D972	L956-S963 WeakPolarHBondContact CD1-O 3.38Å; I961-S963 WeakPolarHBondContact CG2-OG 3.03Å; S963-S969 VanDerWaalsContact OG-CA 3.31Å; S963-S969 WeakPolarHBondContact OG-CA 3.41Å; S963-S969 PolarHBondContact OG-N 2.95Å; S963-S969 PolarHBondContact OG-OG 3.46Å; S963-D972 VanDerWaalsContact CB-OD2 3.26Å; S963-D972 WeakPolarHBondContact CB-OD2 3.32Å; S963-D972 PolarHBondContact OG-OD2 2.91Å
964	H	75.5	Confident	87.1	Confident	158 Å²	158	49.7 Å²	49.7	73%	0.731	26%	0.263	S	S	*	.	S	Bend	trans	-99.7	-2.8	-175.3	-55.7	-50.5	0	0	0	115	Q953	Q953-H964 PolarHBondContact OE1-ND1 2.71Å
965	S	83.3	Confident	87.3	Confident	40 Å²	40	51.4 Å²	51.4	28%	0.28	26%	0.261	S	S	.	.	S	Bend	trans	-130	148.3	177.7	104	0	0	0	0	111.6	N967 D968 S969	S965-N967 PolarHBondContact O-N 2.84Å; S965-N967 VanDerWaalsContact O-N 3.16Å; S965-N967 PolarHBondContact OG-N 2.79Å; S965-D968 VanDerWaalsContact CB-OD2 3.26Å; S965-D968 WeakPolarHBondContact CB-OD2 3.37Å; S965-D968 PolarHBondContact O-N 3.28Å; S965-D968 VanDerWaalsContact O-N 3.11Å; S965-D968 VanDerWaalsContact OG-CG 3.25Å; S965-D968 PolarHBondContact OG-N 2.97Å; S965-D968 PolarHBondContact OG-OD2 3Å; S965-S969 WeakPolarHBondContact O-CB 3.4Å; S965-S969 PolarHBondContact O-N 2.89Å; S965-S969 PolarHBondContact O-OG 3.19Å; S965-S969 VanDerWaalsContact O-OG 3.06Å
966	M	86	Confident	87.1	Confident	25 Å²	25	54.1 Å²	54.1	12%	0.123	27%	0.274	C	S	.	.	H	α-helix	trans	-52.4	-38.4	177.4	-169.1	68.5	62.2	0	0	112.7	L892 L895 L899 L952 I970	L892-M966 HydrophobicContact CD2-SD 4.02Å; L895-M966 HydrophobicContact CD2-CE 3.61Å; L895-M966 HydrophobicContact CD2-SD 4.35Å; L895-M966 HydrophobicContact CG-CE 3.72Å; L895-M966 HydrophobicContact CG-SD 4.39Å; L899-M966 HydrophobicContact CD1-CE 4.08Å; L952-M966 HydrophobicContact CD1-CE 3.44Å; L952-M966 VanDerWaalsContact CD1-CE 3.44Å; L952-M966 HydrophobicContact CD2-CE 4Å; L952-M966 HydrophobicContact CG-CE 4.39Å; M966-I970 HydrophobicContact CG-CD1 4.11Å; M966-I970 WeakPolarHBondContact O-CD1 3.47Å; M966-I970 VanDerWaalsContact O-CG1 3.25Å; M966-I970 WeakPolarHBondContact O-CG1 3.44Å; M966-I970 PolarHBondContact O-N 2.85Å
967	N	86.5	Confident	86.9	Confident	87 Å²	87	54.1 Å²	54.1	47%	0.465	27%	0.274	S	S	.	.	H	α-helix	trans	-69	-45.1	-178.5	-66	-2.9	0	0	0	110.7	W803 S965 I970 N971	W803-N967 HydrophobicContact CH2-CB 4.28Å; W803-N967 WeakPolarHBondContact CH2-OD1 3.29Å; W803-N967 HydrophobicContact CZ2-CB 4.32Å; S965-N967 PolarHBondContact O-N 2.84Å; S965-N967 VanDerWaalsContact O-N 3.16Å; S965-N967 PolarHBondContact OG-N 2.79Å; N967-I970 PolarHBondContact O-N 3.44Å; N967-N971 WeakPolarHBondContact O-CB 3.32Å; N967-N971 PolarHBondContact O-N 2.84Å; N967-N971 PolarHBondContact O-ND2 2.91Å
968	D	86.9	Confident	86.7	Confident	80 Å²	80	53.1 Å²	53.1	43%	0.428	26%	0.264	S	S	.	.	H	α-helix	trans	-71	-40.3	-178.4	-53.2	-46.7	0	0	0	110.2	S965 I970 N971 D972	S965-D968 VanDerWaalsContact CB-OD2 3.26Å; S965-D968 WeakPolarHBondContact CB-OD2 3.37Å; S965-D968 PolarHBondContact O-N 3.28Å; S965-D968 VanDerWaalsContact O-N 3.11Å; S965-D968 VanDerWaalsContact OG-CG 3.25Å; S965-D968 PolarHBondContact OG-N 2.97Å; S965-D968 PolarHBondContact OG-OD2 3Å; D968-I970 VanDerWaalsContact C-N 3.34Å; D968-I970 PolarHBondContact O-N 3.16Å; D968-N971 CarbonylContact O-C 3.58Å; D968-N971 PolarHBondContact O-N 3.43Å; D968-N971 VanDerWaalsContact O-N 3.13Å; D968-D972 WeakPolarHBondContact O-CB 3.27Å; D968-D972 PolarHBondContact O-N 3.2Å
969	S	89.8	Confident	86.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-39.7	172.5	-59.4	0	0	0	0	113.1	L956 S963 S965 V973	L956-S969 WeakPolarHBondContact CD1-OG 3.25Å; L956-S969 WeakPolarHBondContact CD2-OG 3.26Å; S963-S969 VanDerWaalsContact OG-CA 3.31Å; S963-S969 WeakPolarHBondContact OG-CA 3.41Å; S963-S969 PolarHBondContact OG-N 2.95Å; S963-S969 PolarHBondContact OG-OG 3.46Å; S965-S969 WeakPolarHBondContact O-CB 3.4Å; S965-S969 PolarHBondContact O-N 2.89Å; S965-S969 PolarHBondContact O-OG 3.19Å; S965-S969 VanDerWaalsContact O-OG 3.06Å; S969-V973 WeakPolarHBondContact O-CB 3.29Å; S969-V973 VanDerWaalsContact O-CG2 3.23Å; S969-V973 WeakPolarHBondContact O-CG2 3.33Å; S969-V973 PolarHBondContact O-N 2.68Å
970	I	90.9	Very high	85.9	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-68.1	-42.8	173.8	-69	164.3	0	0	0	110.3	W803 L889 L892 L893 M966 N967 D968 V973 L974	W803-I970 HydrophobicContact CD2-CD1 4.48Å; W803-I970 HydrophobicContact CD2-CG2 3.95Å; W803-I970 VanDerWaalsContact CE2-CG2 3.43Å; W803-I970 HydrophobicContact CE3-CD1 4.14Å; W803-I970 HydrophobicContact CG-CG2 4.27Å; W803-I970 HydrophobicContact CH2-CB 4.27Å; W803-I970 HydrophobicContact CH2-CD1 3.49Å; W803-I970 VanDerWaalsContact CH2-CD1 3.49Å; W803-I970 HydrophobicContact CH2-CG1 4.45Å; W803-I970 HydrophobicContact CH2-CG2 4.46Å; W803-I970 HydrophobicContact CZ2-CB 3.74Å; W803-I970 HydrophobicContact CZ2-CD1 3.87Å; W803-I970 HydrophobicContact CZ2-CG1 4.4Å; W803-I970 HydrophobicContact CZ2-CG2 3.73Å; W803-I970 HydrophobicContact CZ3-CD1 3.65Å; L889-I970 HydrophobicContact CD1-CG2 4.17Å; L892-I970 HydrophobicContact CB-CD1 4.11Å; L892-I970 HydrophobicContact CB-CG1 3.52Å; L892-I970 HydrophobicContact CD1-CG1 4.04Å; L892-I970 HydrophobicContact CG-CG1 4.39Å; L893-I970 HydrophobicContact CD2-CD1 4.35Å; L893-I970 HydrophobicContact CD2-CG2 4.19Å; M966-I970 HydrophobicContact CG-CD1 4.11Å; M966-I970 WeakPolarHBondContact O-CD1 3.47Å; M966-I970 VanDerWaalsContact O-CG1 3.25Å; M966-I970 WeakPolarHBondContact O-CG1 3.44Å; M966-I970 PolarHBondContact O-N 2.85Å; N967-I970 PolarHBondContact O-N 3.44Å; D968-I970 VanDerWaalsContact C-N 3.34Å; D968-I970 PolarHBondContact O-N 3.16Å; I970-V973 PolarHBondContact O-N 2.64Å; I970-L974 HydrophobicContact CG2-CD1 3.9Å; I970-L974 HydrophobicContact CG2-CG 4.32Å; I970-L974 WeakPolarHBondContact O-CB 3.41Å; I970-L974 WeakPolarHBondContact O-CG 3.33Å; I970-L974 PolarHBondContact O-N 2.86Å
971	N	89.2	Confident	85.4	Confident	57 Å²	57	50.9 Å²	50.9	31%	0.305	25%	0.25	S	C	.	.	H	α-helix	trans	-67.1	-38.4	179.8	-67.9	-22.4	0	0	0	112.6	W803 N967 D968 L974 K975	W803-N971 PolarHBondContact NE1-OD1 3.17Å; N967-N971 WeakPolarHBondContact O-CB 3.32Å; N967-N971 PolarHBondContact O-N 2.84Å; N967-N971 PolarHBondContact O-ND2 2.91Å; D968-N971 CarbonylContact O-C 3.58Å; D968-N971 PolarHBondContact O-N 3.43Å; D968-N971 VanDerWaalsContact O-N 3.13Å; N971-L974 WeakPolarHBondContact O-CB 3.31Å; N971-L974 PolarHBondContact O-N 2.96Å; N971-K975 WeakPolarHBondContact O-CB 3.42Å; N971-K975 PolarHBondContact O-N 2.71Å
972	D	88.9	Confident	84.7	Confident	61 Å²	61	55.4 Å²	55.4	33%	0.326	27%	0.271	S	S	.	.	H	α-helix	trans	-69.4	-39	175.1	-76.8	-28.3	0	0	0	111.8	S963 D968 K975 Q976	S963-D972 VanDerWaalsContact CB-OD2 3.26Å; S963-D972 WeakPolarHBondContact CB-OD2 3.32Å; S963-D972 PolarHBondContact OG-OD2 2.91Å; D968-D972 WeakPolarHBondContact O-CB 3.27Å; D968-D972 PolarHBondContact O-N 3.2Å; D972-K975 WeakPolarHBondContact O-CB 3.46Å; D972-K975 PolarHBondContact O-N 2.82Å; D972-Q976 WeakPolarHBondContact O-CB 3.48Å; D972-Q976 VanDerWaalsContact O-CG 3.3Å; D972-Q976 WeakPolarHBondContact O-CG 3.46Å; D972-Q976 PolarHBondContact O-N 3.47Å
973	V	91.7	Very high	84	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68	-36.9	172.4	169.2	0	0	0	0	111.1	T885 K888 L889 L892 I961 S969 I970 K975 F977	T885-V973 HydrophobicContact CG2-CG1 3.9Å; K888-V973 HydrophobicContact CB-CG1 3.97Å; K888-V973 HydrophobicContact CB-CG2 4.17Å; K888-V973 HydrophobicContact CD-CG2 4.28Å; L889-V973 HydrophobicContact CB-CG1 3.76Å; L889-V973 HydrophobicContact CD1-CG1 4.26Å; L892-V973 HydrophobicContact CD1-CB 4.41Å; L892-V973 HydrophobicContact CD1-CG2 3.95Å; I961-V973 HydrophobicContact CD1-CG2 3.5Å; I961-V973 HydrophobicContact CG1-CG2 4.03Å; S969-V973 WeakPolarHBondContact O-CB 3.29Å; S969-V973 VanDerWaalsContact O-CG2 3.23Å; S969-V973 WeakPolarHBondContact O-CG2 3.33Å; S969-V973 PolarHBondContact O-N 2.68Å; I970-V973 PolarHBondContact O-N 2.64Å; V973-K975 VanDerWaalsContact C-N 3.32Å; V973-F977 WeakPolarHBondContact O-CB 3.49Å; V973-F977 PolarHBondContact O-N 2.95Å
974	L	89.1	Confident	83.1	Confident	20 Å²	20	51.9 Å²	51.9	11%	0.105	25%	0.253	C	S	.	.	H	α-helix	trans	-64.1	-36.4	171.2	-73.4	170.4	0	0	0	112	L800 L804 L889 I970 N971 Y978 I1011	L800-L974 HydrophobicContact CD1-CD2 3.78Å; L804-L974 HydrophobicContact CD2-CD1 4.42Å; L889-L974 HydrophobicContact CD1-CD2 3.78Å; L889-L974 HydrophobicContact CD1-CG 3.95Å; L889-L974 HydrophobicContact CD2-CD2 3.81Å; L889-L974 HydrophobicContact CG-CD2 4.48Å; I970-L974 HydrophobicContact CG2-CD1 3.9Å; I970-L974 HydrophobicContact CG2-CG 4.32Å; I970-L974 WeakPolarHBondContact O-CB 3.41Å; I970-L974 WeakPolarHBondContact O-CG 3.33Å; I970-L974 PolarHBondContact O-N 2.86Å; N971-L974 WeakPolarHBondContact O-CB 3.31Å; N971-L974 PolarHBondContact O-N 2.96Å; L974-Y978 WeakPolarHBondContact O-CB 3.41Å; L974-Y978 PolarHBondContact O-N 2.72Å; L974-I1011 HydrophobicContact CD2-CD1 3.36Å; L974-I1011 HydrophobicContact CD2-CG1 3.98Å
975	K	86.8	Confident	82.4	Confident	113 Å²	113	45.2 Å²	45.2	49%	0.491	22%	0.222	S	C	.	.	H	α-helix	trans	-68.4	-50.1	174.9	-179.5	176.5	174.3	-66.7	0	111.6	N971 D972 V973 F977 Y978 E979	N971-K975 WeakPolarHBondContact O-CB 3.42Å; N971-K975 PolarHBondContact O-N 2.71Å; D972-K975 WeakPolarHBondContact O-CB 3.46Å; D972-K975 PolarHBondContact O-N 2.82Å; V973-K975 VanDerWaalsContact C-N 3.32Å; K975-F977 VanDerWaalsContact C-N 3.29Å; K975-F977 PolarHBondContact O-N 3.38Å; K975-Y978 PolarHBondContact O-N 3.3Å; K975-Y978 VanDerWaalsContact O-N 3.09Å; K975-E979 WeakPolarHBondContact CE-OE1 3.39Å; K975-E979 IonicContact NZ-OE1 3.78Å; K975-E979 PolarHBondContact NZ-OE1 2.8Å; K975-E979 IonicContact NZ-OE2 3.31Å; K975-E979 WeakPolarHBondContact O-CG 3.03Å; K975-E979 PolarHBondContact O-N 3.33Å
976	Q	86.4	Confident	81.2	Confident	57 Å²	57	49.1 Å²	49.1	27%	0.266	24%	0.236	S	C	.	.	H	α-helix	trans	-54.3	-46.5	172.2	-73.1	168.4	38.3	0	0	110.9	T885 D972 Y978 E979 I980	T885-Q976 HydrophobicContact CG2-CB 4.27Å; D972-Q976 WeakPolarHBondContact O-CB 3.48Å; D972-Q976 VanDerWaalsContact O-CG 3.3Å; D972-Q976 WeakPolarHBondContact O-CG 3.46Å; D972-Q976 PolarHBondContact O-N 3.47Å; Q976-Y978 VanDerWaalsContact C-N 3.31Å; Q976-Y978 PolarHBondContact O-N 3.03Å; Q976-E979 PolarHBondContact O-N 3.48Å; Q976-I980 WeakPolarHBondContact O-CB 3.2Å; Q976-I980 WeakPolarHBondContact O-CD1 3.37Å; Q976-I980 WeakPolarHBondContact O-CG1 3.23Å; Q976-I980 PolarHBondContact O-N 2.84Å
977	F	87.8	Confident	80	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-36.3	178.3	-167.1	-105.7	0	0	0	112.4	L882 T885 C886 V973 K975 I981 C1007 V1008 I1011	L882-F977 HydrophobicContact CD1-CD2 4.23Å; L882-F977 HydrophobicContact CD1-CE2 3.69Å; L882-F977 HydrophobicContact CD1-CZ 4.13Å; L882-F977 HydrophobicContact CG-CE2 4.32Å; T885-F977 HydrophobicContact CG2-CB 3.74Å; T885-F977 HydrophobicContact CG2-CD2 3.85Å; T885-F977 HydrophobicContact CG2-CG 4.3Å; C886-F977 HydrophobicContact CB-CE2 4.11Å; C886-F977 VanDerWaalsContact SG-CE2 3.58Å; V973-F977 WeakPolarHBondContact O-CB 3.49Å; V973-F977 PolarHBondContact O-N 2.95Å; K975-F977 VanDerWaalsContact C-N 3.29Å; K975-F977 PolarHBondContact O-N 3.38Å; F977-I981 HydrophobicContact CD1-CD1 3.55Å; F977-I981 HydrophobicContact CE1-CD1 3.42Å; F977-I981 VanDerWaalsContact CE1-CD1 3.42Å; F977-I981 HydrophobicContact CG-CD1 4.4Å; F977-I981 HydrophobicContact CZ-CD1 4.15Å; F977-I981 WeakPolarHBondContact O-CB 3.3Å; F977-I981 VanDerWaalsContact O-CG1 3.25Å; F977-I981 WeakPolarHBondContact O-CG1 3.44Å; F977-I981 PolarHBondContact O-N 3.43Å; F977-C1007 HydrophobicContact CE1-CB 4.4Å; F977-C1007 HydrophobicContact CZ-CB 4.22Å; F977-V1008 HydrophobicContact CE1-CG2 4.08Å; F977-V1008 HydrophobicContact CZ-CG2 3.62Å; F977-I1011 HydrophobicContact CD1-CB 4.34Å; F977-I1011 HydrophobicContact CD1-CD1 3.37Å; F977-I1011 HydrophobicContact CD1-CG1 4.43Å; F977-I1011 HydrophobicContact CD1-CG2 4.3Å; F977-I1011 HydrophobicContact CE1-CD1 3.61Å; F977-I1011 HydrophobicContact CG-CD1 4.39Å
978	Y	82.6	Confident	78.9	Confident	68 Å²	68	51.3 Å²	51.3	27%	0.267	24%	0.242	S	C	.	.	H	α-helix	trans	-72.2	-39.7	174.8	-178.2	-126.6	0	0	0	112.8	L974 K975 Q976 I981 Q982 I1011 N1015	L974-Y978 WeakPolarHBondContact O-CB 3.41Å; L974-Y978 PolarHBondContact O-N 2.72Å; K975-Y978 PolarHBondContact O-N 3.3Å; K975-Y978 VanDerWaalsContact O-N 3.09Å; Q976-Y978 VanDerWaalsContact C-N 3.31Å; Q976-Y978 PolarHBondContact O-N 3.03Å; Y978-I981 HydrophobicContact CD2-CG2 4.48Å; Y978-I981 CarbonylContact O-C 3.57Å; Y978-I981 WeakPolarHBondContact O-CB 3.41Å; Y978-I981 PolarHBondContact O-N 3.24Å; Y978-Q982 HydrophobicContact CD1-CG 4.38Å; Y978-Q982 HydrophobicContact CD2-CG 4.11Å; Y978-Q982 HydrophobicContact CE1-CG 4.06Å; Y978-Q982 HydrophobicContact CE2-CG 3.76Å; Y978-Q982 HydrophobicContact CG-CG 4.43Å; Y978-Q982 VanDerWaalsContact CZ-NE2 3.26Å; Y978-Q982 WeakPolarHBondContact O-CB 3.38Å; Y978-Q982 WeakPolarHBondContact O-CG 3.12Å; Y978-Q982 PolarHBondContact O-N 2.81Å; Y978-Q982 PolarHBondContact OH-NE2 2.97Å; Y978-I1011 HydrophobicContact CD2-CG2 4.36Å; Y978-N1015 WeakPolarHBondContact CD1-ND2 3.04Å; Y978-N1015 HydrophobicContact CD2-CB 4.43Å; Y978-N1015 WeakPolarHBondContact CD2-ND2 3.22Å; Y978-N1015 HydrophobicContact CE1-CB 4.37Å; Y978-N1015 HydrophobicContact CE2-CB 3.76Å; Y978-N1015 WeakPolarHBondContact CE2-ND2 3.48Å
979	E	82.2	Confident	77.7	Confident	71 Å²	71	51.8 Å²	51.8	33%	0.332	24%	0.241	S	C	.	.	H	α-helix	trans	-62.4	-47.7	175	-72.5	165.3	169.1	0	0	110.6	K975 Q976 I981 Q982 H983	K975-E979 WeakPolarHBondContact CE-OE1 3.39Å; K975-E979 IonicContact NZ-OE1 3.78Å; K975-E979 PolarHBondContact NZ-OE1 2.8Å; K975-E979 IonicContact NZ-OE2 3.31Å; K975-E979 WeakPolarHBondContact O-CG 3.03Å; K975-E979 PolarHBondContact O-N 3.33Å; Q976-E979 PolarHBondContact O-N 3.48Å; E979-I981 VanDerWaalsContact C-N 3.31Å; E979-I981 PolarHBondContact O-N 2.9Å; E979-Q982 PolarHBondContact O-N 2.82Å; E979-H983 PolarHBondContact O-CD2 3.03Å; E979-H983 PolarHBondContact O-N 3.05Å
980	I	80.4	Confident	76.5	Confident	30 Å²	30	51.9 Å²	51.9	15%	0.154	24%	0.242	C	C	.	.	H	α-helix	trans	-53.8	-46.6	170.2	-71.3	167.7	0	0	0	110.5	D881 L882 T885 Q976 N984	D881-I980 HydrophobicContact CB-CD1 4.19Å; L882-I980 HydrophobicContact CB-CG2 4.04Å; L882-I980 HydrophobicContact CD1-CG2 3.82Å; T885-I980 HydrophobicContact CG2-CD1 4.35Å; T885-I980 VanDerWaalsContact OG1-CD1 3.31Å; T885-I980 WeakPolarHBondContact OG1-CD1 3.45Å; Q976-I980 WeakPolarHBondContact O-CB 3.2Å; Q976-I980 WeakPolarHBondContact O-CD1 3.37Å; Q976-I980 WeakPolarHBondContact O-CG1 3.23Å; Q976-I980 PolarHBondContact O-N 2.84Å; I980-N984 WeakPolarHBondContact CG2-ND2 3.42Å; I980-N984 WeakPolarHBondContact O-CB 3.29Å; I980-N984 PolarHBondContact O-N 3.46Å; I980-N984 PolarHBondContact O-ND2 3.45Å; I980-N984 PolarHBondContact O-OD1 3.33Å
981	I	76.9	Confident	75.3	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.015	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-43.6	176.7	-81.8	169.5	0	0	0	112.5	L882 F977 Y978 E979 Y985 V1008	L882-I981 HydrophobicContact CD1-CG1 4.24Å; F977-I981 HydrophobicContact CD1-CD1 3.55Å; F977-I981 HydrophobicContact CE1-CD1 3.42Å; F977-I981 VanDerWaalsContact CE1-CD1 3.42Å; F977-I981 HydrophobicContact CG-CD1 4.4Å; F977-I981 HydrophobicContact CZ-CD1 4.15Å; F977-I981 WeakPolarHBondContact O-CB 3.3Å; F977-I981 VanDerWaalsContact O-CG1 3.25Å; F977-I981 WeakPolarHBondContact O-CG1 3.44Å; F977-I981 PolarHBondContact O-N 3.43Å; Y978-I981 HydrophobicContact CD2-CG2 4.48Å; Y978-I981 CarbonylContact O-C 3.57Å; Y978-I981 WeakPolarHBondContact O-CB 3.41Å; Y978-I981 PolarHBondContact O-N 3.24Å; E979-I981 VanDerWaalsContact C-N 3.31Å; E979-I981 PolarHBondContact O-N 2.9Å; I981-Y985 HydrophobicContact CG2-CD2 4Å; I981-Y985 HydrophobicContact CG2-CE1 4.36Å; I981-Y985 HydrophobicContact CG2-CE2 3.56Å; I981-Y985 WeakPolarHBondContact O-CB 3.48Å; I981-Y985 PolarHBondContact O-N 2.86Å; I981-Y985 VanDerWaalsContact O-N 3.16Å; I981-V1008 HydrophobicContact CD1-CB 4.24Å; I981-V1008 HydrophobicContact CD1-CG1 3.97Å; I981-V1008 HydrophobicContact CD1-CG2 4.15Å; I981-V1008 HydrophobicContact CG1-CG1 4.4Å
982	Q	73.1	Confident	74.2	Confident	100 Å²	100	53.3 Å²	53.3	47%	0.467	25%	0.248	S	C	.	.	H	α-helix	trans	-64.5	-47.3	-178.3	-78.5	-169.3	-43.5	0	0	111.7	Y978 E979	Y978-Q982 HydrophobicContact CD1-CG 4.38Å; Y978-Q982 HydrophobicContact CD2-CG 4.11Å; Y978-Q982 HydrophobicContact CE1-CG 4.06Å; Y978-Q982 HydrophobicContact CE2-CG 3.76Å; Y978-Q982 HydrophobicContact CG-CG 4.43Å; Y978-Q982 VanDerWaalsContact CZ-NE2 3.26Å; Y978-Q982 WeakPolarHBondContact O-CB 3.38Å; Y978-Q982 WeakPolarHBondContact O-CG 3.12Å; Y978-Q982 PolarHBondContact O-N 2.81Å; Y978-Q982 PolarHBondContact OH-NE2 2.97Å; E979-Q982 PolarHBondContact O-N 2.82Å
983	H	68.5	Low	73.1	Confident	112 Å²	112	50.7 Å²	50.7	52%	0.519	24%	0.235	S	C	.	.	H	α-helix	trans	-69.2	-47.5	177.8	-68.1	-59.2	0	0	0	111.6	E979 Y985 Q986	E979-H983 PolarHBondContact O-CD2 3.03Å; E979-H983 PolarHBondContact O-N 3.05Å; H983-Y985 VanDerWaalsContact C-N 3.26Å; H983-Y985 PolarHBondContact O-N 3.02Å; H983-Q986 VanDerWaalsContact O-CB 3.31Å; H983-Q986 WeakPolarHBondContact O-CB 3.47Å; H983-Q986 PolarHBondContact O-N 3.11Å
984	N	62.6	Low	72.1	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.043	24%	0.235	C	C	.	.	H	α-helix	trans	-75.9	-14.5	-170	-55.7	1.8	0	0	0	112.7	Q878 I980 Q986 S987 M990	Q878-N984 VanDerWaalsContact CB-ND2 3.32Å; Q878-N984 WeakPolarHBondContact CB-ND2 3.48Å; Q878-N984 VanDerWaalsContact CD-CG 3.47Å; Q878-N984 VanDerWaalsContact CG-OD1 3.26Å; Q878-N984 WeakPolarHBondContact CG-OD1 3.42Å; Q878-N984 PolarHBondContact O-ND2 2.97Å; Q878-N984 VanDerWaalsContact OE1-CG 3.29Å; Q878-N984 PolarHBondContact OE1-OD1 3.4Å; I980-N984 WeakPolarHBondContact CG2-ND2 3.42Å; I980-N984 WeakPolarHBondContact O-CB 3.29Å; I980-N984 PolarHBondContact O-N 3.46Å; I980-N984 PolarHBondContact O-ND2 3.45Å; I980-N984 PolarHBondContact O-OD1 3.33Å; N984-Q986 PolarHBondContact O-N 2.88Å; N984-S987 WeakPolarHBondContact O-CA 3.49Å; N984-S987 WeakPolarHBondContact O-CB 3.38Å; N984-S987 PolarHBondContact O-N 3.3Å; N984-M990 HydrophobicContact CB-CB 4.49Å; N984-M990 HydrophobicContact CB-CE 3.71Å; N984-M990 HydrophobicContact CB-CG 3.94Å; N984-M990 HydrophobicContact CB-SD 3.76Å
985	Y	61.4	Low	71.1	Confident	18 Å²	18	53.1 Å²	53.1	7%	0.071	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-3.3	166.8	-73.5	-4.2	0	0	0	114.3	L714 L718 I981 H983 M990 I991 L994 V1008 C1012	L714-Y985 HydrophobicContact CD2-CD1 3.56Å; L714-Y985 HydrophobicContact CD2-CD2 3.97Å; L714-Y985 HydrophobicContact CD2-CE1 3.35Å; L714-Y985 HydrophobicContact CD2-CE2 3.77Å; L714-Y985 HydrophobicContact CD2-CG 3.86Å; L714-Y985 VanDerWaalsContact CD2-CZ 3.45Å; L714-Y985 HydrophobicContact CG-CE1 4.47Å; L714-Y985 HydrophobicContact CG-CE2 4.38Å; L718-Y985 VanDerWaalsContact CD1-OH 3.28Å; L718-Y985 WeakPolarHBondContact CD1-OH 3.13Å; I981-Y985 HydrophobicContact CG2-CD2 4Å; I981-Y985 HydrophobicContact CG2-CE1 4.36Å; I981-Y985 HydrophobicContact CG2-CE2 3.56Å; I981-Y985 WeakPolarHBondContact O-CB 3.48Å; I981-Y985 PolarHBondContact O-N 2.86Å; I981-Y985 VanDerWaalsContact O-N 3.16Å; H983-Y985 VanDerWaalsContact C-N 3.26Å; H983-Y985 PolarHBondContact O-N 3.02Å; Y985-M990 HydrophobicContact CD1-CE 4.34Å; Y985-M990 HydrophobicContact CD1-SD 3.78Å; Y985-M990 HydrophobicContact CE1-CE 4.18Å; Y985-M990 HydrophobicContact CE1-SD 3.98Å; Y985-I991 HydrophobicContact CD1-CG1 4.19Å; Y985-I991 VanDerWaalsContact O-CD1 3.28Å; Y985-I991 WeakPolarHBondContact O-CD1 3.31Å; Y985-L994 HydrophobicContact CE1-CD2 3.91Å; Y985-V1008 WeakPolarHBondContact OH-CG1 3.38Å; Y985-C1012 PolarHBondContact OH-SG 3.05Å
986	Q	56.6	Low	70.1	Confident	122 Å²	122	53.4 Å²	53.4	57%	0.57	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-29.8	160.9	-58.8	177.7	-78.1	0	0	110.9	E707 H983 N984 K988	E707-Q986 PolarHBondContact OE1-NE2 3.26Å; H983-Q986 VanDerWaalsContact O-CB 3.31Å; H983-Q986 WeakPolarHBondContact O-CB 3.47Å; H983-Q986 PolarHBondContact O-N 3.11Å; N984-Q986 PolarHBondContact O-N 2.88Å; Q986-K988 PolarHBondContact O-N 3.1Å
987	S	62.7	Low	69.1	Low	12 Å²	12	50.7 Å²	50.7	8%	0.084	24%	0.237	C	C	.	.			trans	-73.1	111.2	172.3	174.8	0	0	0	0	111.6	E875 N984 E989 M990 I991	E875-S987 WeakPolarHBondContact OE1-CB 3.29Å; E875-S987 PolarHBondContact OE1-OG 3.2Å; N984-S987 WeakPolarHBondContact O-CA 3.49Å; N984-S987 WeakPolarHBondContact O-CB 3.38Å; N984-S987 PolarHBondContact O-N 3.3Å; S987-E989 PolarHBondContact O-N 3.32Å; S987-E989 PolarHBondContact OG-N 3.28Å; S987-M990 PolarHBondContact O-N 3.41Å; S987-M990 PolarHBondContact OG-N 2.92Å; S987-I991 WeakPolarHBondContact O-CG1 3.43Å; S987-I991 PolarHBondContact O-N 3.23Å; S987-I991 VanDerWaalsContact O-N 3.08Å
988	K	61.9	Low	68	Low	146 Å²	146	51.9 Å²	51.9	64%	0.635	24%	0.242	S	C	*	.	H	α-helix	trans	-57.3	-32.2	169.5	175	-174.5	162.3	-152	0	112.4	Q986 I992	Q986-K988 PolarHBondContact O-N 3.1Å; K988-I992 HydrophobicContact CG-CD1 3.97Å; K988-I992 WeakPolarHBondContact O-CB 3.4Å; K988-I992 WeakPolarHBondContact O-CD1 3.49Å; K988-I992 WeakPolarHBondContact O-CG1 3.43Å; K988-I992 PolarHBondContact O-N 2.79Å
989	E	61.3	Low	66.9	Low	89 Å²	89	51.5 Å²	51.5	42%	0.416	25%	0.253	S	S	.	.	H	α-helix	trans	-69.8	-48.7	178.9	-62.1	-92.4	127.9	0	0	110.6	S987 I991 I992 S993	S987-E989 PolarHBondContact O-N 3.32Å; S987-E989 PolarHBondContact OG-N 3.28Å; E989-I991 VanDerWaalsContact C-N 3.34Å; E989-I991 PolarHBondContact O-N 3.24Å; E989-I992 PolarHBondContact O-N 2.9Å; E989-I992 VanDerWaalsContact O-N 3.07Å; E989-S993 PolarHBondContact O-N 3.16Å; E989-S993 PolarHBondContact O-OG 3.27Å
990	M	65.7	Low	65.8	Low	3 Å²	3	50.4 Å²	50.4	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-60.7	-42.3	176.6	-173.4	-94.8	-165.8	0	0	111.4	L882 N984 Y985 S987 S993 L994	L882-M990 HydrophobicContact CD1-CE 4.06Å; L882-M990 HydrophobicContact CD2-CE 3.83Å; L882-M990 HydrophobicContact CG-CE 4.47Å; N984-M990 HydrophobicContact CB-CB 4.49Å; N984-M990 HydrophobicContact CB-CE 3.71Å; N984-M990 HydrophobicContact CB-CG 3.94Å; N984-M990 HydrophobicContact CB-SD 3.76Å; Y985-M990 HydrophobicContact CD1-CE 4.34Å; Y985-M990 HydrophobicContact CD1-SD 3.78Å; Y985-M990 HydrophobicContact CE1-CE 4.18Å; Y985-M990 HydrophobicContact CE1-SD 3.98Å; S987-M990 PolarHBondContact O-N 3.41Å; S987-M990 PolarHBondContact OG-N 2.92Å; M990-S993 PolarHBondContact O-N 3.5Å; M990-L994 WeakPolarHBondContact O-CB 3.36Å; M990-L994 PolarHBondContact O-N 3.22Å
991	I	65.7	Low	64.8	Low	19 Å²	19	49.6 Å²	49.6	10%	0.097	25%	0.249	C	C	.	.	H	α-helix	trans	-59.5	-46.4	170.7	-67	-170.5	0	0	0	111.6	L714 Y985 S987 E989 S993 L994 L995	L714-I991 HydrophobicContact CD2-CB 4.44Å; L714-I991 HydrophobicContact CD2-CD1 3.84Å; L714-I991 HydrophobicContact CD2-CG1 3.72Å; L714-I991 HydrophobicContact CD2-CG2 4.22Å; Y985-I991 HydrophobicContact CD1-CG1 4.19Å; Y985-I991 VanDerWaalsContact O-CD1 3.28Å; Y985-I991 WeakPolarHBondContact O-CD1 3.31Å; S987-I991 WeakPolarHBondContact O-CG1 3.43Å; S987-I991 PolarHBondContact O-N 3.23Å; S987-I991 VanDerWaalsContact O-N 3.08Å; E989-I991 VanDerWaalsContact C-N 3.34Å; E989-I991 PolarHBondContact O-N 3.24Å; I991-S993 PolarHBondContact O-N 2.79Å; I991-L994 PolarHBondContact O-N 2.95Å; I991-L995 HydrophobicContact CG2-CD1 3.81Å; I991-L995 HydrophobicContact CG2-CG 4.18Å; I991-L995 WeakPolarHBondContact O-CB 3.16Å; I991-L995 WeakPolarHBondContact O-CG 3.36Å; I991-L995 PolarHBondContact O-N 3.12Å
992	I	66.3	Low	64.6	Low	67 Å²	67	49.9 Å²	49.9	34%	0.344	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-41.6	179.2	-77	166.7	0	0	0	111.3	K988 E989 L995 K996	K988-I992 HydrophobicContact CG-CD1 3.97Å; K988-I992 WeakPolarHBondContact O-CB 3.4Å; K988-I992 WeakPolarHBondContact O-CD1 3.49Å; K988-I992 WeakPolarHBondContact O-CG1 3.43Å; K988-I992 PolarHBondContact O-N 2.79Å; E989-I992 PolarHBondContact O-N 2.9Å; E989-I992 VanDerWaalsContact O-N 3.07Å; I992-L995 PolarHBondContact O-N 2.95Å; I992-K996 HydrophobicContact CG2-CD 4.38Å; I992-K996 VanDerWaalsContact O-CG 3.29Å; I992-K996 WeakPolarHBondContact O-CG 3.28Å; I992-K996 PolarHBondContact O-N 2.83Å
993	S	66.3	Low	64.8	Low	7 Å²	7	45.3 Å²	45.3	5%	0.049	23%	0.229	C	C	.	.	H	α-helix	trans	-70.9	-35.3	179.7	-67.3	0	0	0	0	112.5	E989 M990 I991 K996 S997	E989-S993 PolarHBondContact O-N 3.16Å; E989-S993 PolarHBondContact O-OG 3.27Å; M990-S993 PolarHBondContact O-N 3.5Å; I991-S993 PolarHBondContact O-N 2.79Å; S993-K996 PolarHBondContact O-N 2.76Å; S993-S997 WeakPolarHBondContact O-CB 3.49Å; S993-S997 PolarHBondContact O-N 3.03Å; S993-S997 PolarHBondContact O-OG 2.88Å
994	L	69.9	Low	65.5	Low	1 Å²	1	40 Å²	40	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-66.1	-44.4	168.8	-174.5	66.7	0	0	0	111.6	L714 L718 Y985 M990 I991 K996 S997 I998 T1005 V1008	L714-L994 HydrophobicContact CD1-CD2 4.31Å; L714-L994 HydrophobicContact CD2-CD2 4.34Å; L718-L994 HydrophobicContact CD1-CD2 4.45Å; L718-L994 HydrophobicContact CD2-CD2 4.34Å; Y985-L994 HydrophobicContact CE1-CD2 3.91Å; M990-L994 WeakPolarHBondContact O-CB 3.36Å; M990-L994 PolarHBondContact O-N 3.22Å; I991-L994 PolarHBondContact O-N 2.95Å; L994-K996 VanDerWaalsContact C-N 3.29Å; L994-K996 PolarHBondContact O-N 2.8Å; L994-S997 CarbonylContact O-C 3.58Å; L994-S997 WeakPolarHBondContact O-CA 3.31Å; L994-S997 PolarHBondContact O-N 2.78Å; L994-I998 PolarHBondContact O-N 3.24Å; L994-T1005 HydrophobicContact CD1-CG2 4.07Å; L994-V1008 HydrophobicContact CD1-CG1 4.34Å; L994-V1008 HydrophobicContact CD1-CG2 4.47Å; L994-V1008 HydrophobicContact CD2-CG1 3.81Å
995	L	67.9	Low	66.2	Low	70 Å²	70	39.6 Å²	39.6	37%	0.366	20%	0.203	S	C	.	.	H	α-helix	trans	-64.9	-28.8	175.9	-71.4	177	0	0	0	113.1	L714 C717 I991 I992 I998	L714-L995 HydrophobicContact CD1-CD2 3.85Å; L714-L995 HydrophobicContact CD1-CG 4.32Å; C717-L995 HydrophobicContact CB-CD2 4.37Å; I991-L995 HydrophobicContact CG2-CD1 3.81Å; I991-L995 HydrophobicContact CG2-CG 4.18Å; I991-L995 WeakPolarHBondContact O-CB 3.16Å; I991-L995 WeakPolarHBondContact O-CG 3.36Å; I991-L995 PolarHBondContact O-N 3.12Å; I992-L995 PolarHBondContact O-N 2.95Å; L995-I998 HydrophobicContact CD2-CD1 3.73Å
996	K	66.8	Low	67.1	Low	118 Å²	118	39.5 Å²	39.5	51%	0.513	20%	0.203	S	C	.	.	H	α-helix	trans	-69.6	-34.2	167.8	-72	169	-171	163.9	0	111.8	I992 S993 L994	I992-K996 HydrophobicContact CG2-CD 4.38Å; I992-K996 VanDerWaalsContact O-CG 3.29Å; I992-K996 WeakPolarHBondContact O-CG 3.28Å; I992-K996 PolarHBondContact O-N 2.83Å; S993-K996 PolarHBondContact O-N 2.76Å; L994-K996 VanDerWaalsContact C-N 3.29Å; L994-K996 PolarHBondContact O-N 2.8Å
997	S	65.1	Low	68.3	Low	1 Å²	1	33.7 Å²	33.7	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-85.5	-3.3	-177.4	-52.6	0	0	0	0	113.9	S993 L994 A999 D1002 T1005	S993-S997 WeakPolarHBondContact O-CB 3.49Å; S993-S997 PolarHBondContact O-N 3.03Å; S993-S997 PolarHBondContact O-OG 2.88Å; L994-S997 CarbonylContact O-C 3.58Å; L994-S997 WeakPolarHBondContact O-CA 3.31Å; L994-S997 PolarHBondContact O-N 2.78Å; S997-A999 PolarHBondContact O-N 3.5Å; S997-D1002 WeakPolarHBondContact CB-OD2 3.31Å; S997-D1002 WeakPolarHBondContact O-CB 3.35Å; S997-D1002 VanDerWaalsContact O-OD2 3.04Å; S997-T1005 PolarHBondContact O-OG1 2.61Å
998	I	63.3	Low	69.2	Low	24 Å²	24	33.1 Å²	33.1	12%	0.123	17%	0.172	C	C	.	.			trans	-64.3	15.9	172.7	-86.3	174.1	0	0	0	114.3	L718 Y721 L994 L995 P1000 T1005	L718-I998 HydrophobicContact CD2-CD1 3.96Å; L718-I998 HydrophobicContact CD2-CG1 4.4Å; Y721-I998 HydrophobicContact CD2-CB 4.38Å; Y721-I998 HydrophobicContact CD2-CG1 4.42Å; Y721-I998 HydrophobicContact CD2-CG2 3.86Å; Y721-I998 WeakPolarHBondContact CD2-O 3.25Å; Y721-I998 HydrophobicContact CE2-CG2 4.47Å; Y721-I998 VanDerWaalsContact CE2-O 3.26Å; Y721-I998 WeakPolarHBondContact CE2-O 3.31Å; Y721-I998 HydrophobicContact CG-CG1 4.36Å; Y721-I998 HydrophobicContact CG-CG2 4.36Å; L994-I998 PolarHBondContact O-N 3.24Å; L995-I998 HydrophobicContact CD2-CD1 3.73Å; I998-P1000 VanDerWaalsContact O-CD 3.25Å; I998-P1000 WeakPolarHBondContact O-CD 3.28Å; I998-T1005 HydrophobicContact CB-CG2 4.49Å; I998-T1005 HydrophobicContact CD1-CG2 4.47Å; I998-T1005 HydrophobicContact CG1-CG2 3.47Å; I998-T1005 VanDerWaalsContact CG1-CG2 3.47Å
999	A	61	Low	70.1	Confident	60 Å²	60	26.2 Å²	26.2	50%	0.496	14%	0.142	S	C	.	.	S	Bend	trans	-79.4	108.5	172.8	0	0	0	0	0	110.7	S997 P1001 D1002	S997-A999 PolarHBondContact O-N 3.5Å; A999-P1001 CarbonylContact O-C 3.6Å; A999-D1002 WeakPolarHBondContact O-CB 3.41Å; A999-D1002 PolarHBondContact O-N 3.39Å
1000	P	58.9	Low	71	Confident	49 Å²	49	23.8 Å²	23.8	32%	0.318	13%	0.129	S	C	.	.	S	Bend	trans	-75.4	144.5	-175.7	31	-34.5	0	0	0	112.1	Y721 L728 I998	Y721-P1000 HydrophobicContact CE2-CB 3.89Å; Y721-P1000 HydrophobicContact CE2-CG 4.42Å; L728-P1000 HydrophobicContact CD1-CB 4.35Å; L728-P1000 HydrophobicContact CD1-CG 3.77Å; I998-P1000 VanDerWaalsContact O-CD 3.25Å; I998-P1000 WeakPolarHBondContact O-CD 3.28Å
1001	P	58.4	Low	71.7	Confident	13 Å²	13	23.8 Å²	23.8	8%	0.084	13%	0.129	C	C	.	.	S	Bend	cis	-86.5	123.5	-4.3	7.6	11.8	0	0	0	110	F737 S921 A999 M1006	F737-P1001 HydrophobicContact CB-CG 4.16Å; F737-P1001 WeakPolarHBondContact O-CG 3.32Å; S921-P1001 WeakPolarHBondContact CA-O 3.31Å; S921-P1001 WeakPolarHBondContact CB-O 3.16Å; S921-P1001 PolarHBondContact OG-O 3.08Å; A999-P1001 CarbonylContact O-C 3.6Å; P1001-M1006 HydrophobicContact CB-CE 4.43Å
1002	D	74	Confident	72.3	Confident	9 Å²	9	23.1 Å²	23.1	5%	0.048	13%	0.126	C	C	.	.			trans	-121.4	117.9	169.7	179.5	-66.8	0	0	0	107.3	H685 Y721 S997 A999 I1004 T1005 M1006	H685-D1002 IonicContact CE1-OD1 3.16Å; H685-D1002 IonicContact CE1-OD2 2.64Å; H685-D1002 PolarHBondContact CE1-OD2 3.09Å; H685-D1002 IonicContact ND1-OD2 2.86Å; H685-D1002 PolarHBondContact ND1-OD2 3.24Å; H685-D1002 IonicContact NE2-OD1 2.68Å; H685-D1002 IonicContact NE2-OD2 2.71Å; H685-D1002 PolarHBondContact NE2-OD2 2.86Å; Y721-D1002 PolarHBondContact OH-N 3.17Å; Y721-D1002 PolarHBondContact OH-O 3.07Å; Y721-D1002 VanDerWaalsContact OH-O 3.1Å; S997-D1002 WeakPolarHBondContact CB-OD2 3.31Å; S997-D1002 WeakPolarHBondContact O-CB 3.35Å; S997-D1002 VanDerWaalsContact O-OD2 3.04Å; A999-D1002 WeakPolarHBondContact O-CB 3.41Å; A999-D1002 PolarHBondContact O-N 3.39Å; D1002-I1004 PolarHBondContact OD1-N 3.5Å; D1002-T1005 VanDerWaalsContact CG-OG1 3.22Å; D1002-T1005 WeakPolarHBondContact OD1-CB 3.43Å; D1002-T1005 PolarHBondContact OD1-N 3.19Å; D1002-T1005 PolarHBondContact OD1-OG1 3.19Å; D1002-M1006 WeakPolarHBondContact O-CG 3.41Å; D1002-M1006 PolarHBondContact O-N 2.92Å; D1002-M1006 VanDerWaalsContact O-N 3.11Å
1003	W	77	Confident	72.7	Confident	3 Å²	3	22.5 Å²	22.5	1%	0.011	12%	0.123	C	C	.	.	H	α-helix	trans	-81.1	-34	-166.9	65.1	-86.2	0	0	0	113.3	I796 F883 C886 I887 L918 T919 N922 C923 T1005 M1006 C1007	I796-W1003 HydrophobicContact CD1-CE3 3.63Å; I796-W1003 HydrophobicContact CD1-CZ3 3.57Å; I796-W1003 HydrophobicContact CG2-CB 3.95Å; I796-W1003 HydrophobicContact CG2-CD2 4.37Å; I796-W1003 HydrophobicContact CG2-CE3 3.89Å; I796-W1003 HydrophobicContact CG2-CG 4.46Å; F883-W1003 HydrophobicContact CE2-CH2 4.1Å; F883-W1003 AromaticContact CE2-CZ2 3.96Å; F883-W1003 HydrophobicContact CE2-CZ2 3.96Å; C886-W1003 HydrophobicContact CB-CH2 4.09Å; C886-W1003 HydrophobicContact CB-CZ3 3.81Å; I887-W1003 HydrophobicContact CD1-CH2 3.77Å; I887-W1003 HydrophobicContact CD1-CZ2 4.22Å; I887-W1003 HydrophobicContact CG1-CH2 4.42Å; L918-W1003 HydrophobicContact CD2-CZ2 4.24Å; T919-W1003 PolarHBondContact O-NE1 3.28Å; N922-W1003 VanDerWaalsContact CA-CD1 3.49Å; N922-W1003 VanDerWaalsContact N-CD1 3.31Å; C923-W1003 HydrophobicContact CB-CH2 4.06Å; C923-W1003 HydrophobicContact CB-CZ2 3.81Å; W1003-T1005 VanDerWaalsContact C-N 3.35Å; W1003-M1006 HydrophobicContact CB-CE 4.3Å; W1003-M1006 PolarHBondContact O-N 3.44Å; W1003-C1007 PolarHBondContact O-N 3.15Å; W1003-C1007 PolarHBondContact O-SG 2.8Å
1004	I	82.1	Confident	73.2	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.4	-48.2	174.3	-58.1	-169.4	0	0	0	108.5	H685 L687 L882 F883 D1002 M1006 C1007 V1008	H685-I1004 WeakPolarHBondContact NE2-CD1 3.34Å; H685-I1004 VanDerWaalsContact NE2-CG1 3.33Å; H685-I1004 WeakPolarHBondContact NE2-CG1 3.45Å; L687-I1004 HydrophobicContact CD1-CB 4.27Å; L687-I1004 HydrophobicContact CD1-CD1 4.26Å; L687-I1004 HydrophobicContact CD1-CG2 3.79Å; L882-I1004 HydrophobicContact CD2-CG2 4.26Å; F883-I1004 HydrophobicContact CD2-CD1 3.58Å; F883-I1004 HydrophobicContact CE2-CD1 4.21Å; D1002-I1004 PolarHBondContact OD1-N 3.5Å; I1004-M1006 VanDerWaalsContact C-N 3.27Å; I1004-M1006 PolarHBondContact O-N 3.17Å; I1004-C1007 PolarHBondContact O-N 2.9Å; I1004-C1007 VanDerWaalsContact O-N 3.1Å; I1004-V1008 HydrophobicContact CG2-CG2 4.17Å; I1004-V1008 WeakPolarHBondContact O-CB 3.36Å; I1004-V1008 VanDerWaalsContact O-CG2 3.26Å; I1004-V1008 WeakPolarHBondContact O-CG2 3.22Å; I1004-V1008 PolarHBondContact O-N 2.7Å
1005	T	78.5	Confident	73.3	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.3	-35.5	176.5	-54.2	0	0	0	0	112	L718 Y721 L994 S997 I998 D1002 W1003 A1009	L718-T1005 HydrophobicContact CD2-CG2 3.97Å; Y721-T1005 HydrophobicContact CD1-CG2 3.82Å; Y721-T1005 HydrophobicContact CE1-CG2 3.45Å; Y721-T1005 VanDerWaalsContact CE1-CG2 3.45Å; L994-T1005 HydrophobicContact CD1-CG2 4.07Å; S997-T1005 PolarHBondContact O-OG1 2.61Å; I998-T1005 HydrophobicContact CB-CG2 4.49Å; I998-T1005 HydrophobicContact CD1-CG2 4.47Å; I998-T1005 HydrophobicContact CG1-CG2 3.47Å; I998-T1005 VanDerWaalsContact CG1-CG2 3.47Å; D1002-T1005 VanDerWaalsContact CG-OG1 3.22Å; D1002-T1005 WeakPolarHBondContact OD1-CB 3.43Å; D1002-T1005 PolarHBondContact OD1-N 3.19Å; D1002-T1005 PolarHBondContact OD1-OG1 3.19Å; W1003-T1005 VanDerWaalsContact C-N 3.35Å; T1005-A1009 WeakPolarHBondContact O-CB 3.35Å; T1005-A1009 PolarHBondContact O-N 2.97Å
1006	M	78.8	Confident	73.2	Confident	17 Å²	17	27.3 Å²	27.3	8%	0.084	14%	0.142	C	C	.	.	H	α-helix	trans	-67.3	-42.2	173.1	-75.3	-174	-62.9	0	0	112.8	Y721 L722 D797 P1001 D1002 W1003 I1004 A1009 R1010	Y721-M1006 HydrophobicContact CE1-CG 3.82Å; L722-M1006 HydrophobicContact CD2-CG 4.33Å; D797-M1006 HydrophobicContact CB-CE 4.31Å; P1001-M1006 HydrophobicContact CB-CE 4.43Å; D1002-M1006 WeakPolarHBondContact O-CG 3.41Å; D1002-M1006 PolarHBondContact O-N 2.92Å; D1002-M1006 VanDerWaalsContact O-N 3.11Å; W1003-M1006 HydrophobicContact CB-CE 4.3Å; W1003-M1006 PolarHBondContact O-N 3.44Å; I1004-M1006 VanDerWaalsContact C-N 3.27Å; I1004-M1006 PolarHBondContact O-N 3.17Å; M1006-A1009 PolarHBondContact O-N 3.27Å; M1006-R1010 WeakPolarHBondContact O-CG 3.43Å; M1006-R1010 PolarHBondContact O-N 3.36Å
1007	C	82.4	Confident	73	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-49.3	174.9	-72.1	0	0	0	0	111.9	L800 F977 W1003 I1004 A1009 R1010 I1011	L800-C1007 HydrophobicContact CD2-CB 4.12Å; F977-C1007 HydrophobicContact CE1-CB 4.4Å; F977-C1007 HydrophobicContact CZ-CB 4.22Å; W1003-C1007 PolarHBondContact O-N 3.15Å; W1003-C1007 PolarHBondContact O-SG 2.8Å; I1004-C1007 PolarHBondContact O-N 2.9Å; I1004-C1007 VanDerWaalsContact O-N 3.1Å; C1007-A1009 PolarHBondContact O-N 3.22Å; C1007-R1010 PolarHBondContact O-N 3.49Å; C1007-I1011 PolarHBondContact O-N 2.65Å; C1007-I1011 VanDerWaalsContact O-N 3.09Å
1008	V	82.6	Confident	72.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-52.8	-52.6	173.6	171.3	0	0	0	0	110.6	L718 L882 F977 I981 Y985 L994 I1004 R1010 I1011 C1012	L718-V1008 HydrophobicContact CD1-CG1 4.21Å; L882-V1008 HydrophobicContact CD1-CG2 4.26Å; F977-V1008 HydrophobicContact CE1-CG2 4.08Å; F977-V1008 HydrophobicContact CZ-CG2 3.62Å; I981-V1008 HydrophobicContact CD1-CB 4.24Å; I981-V1008 HydrophobicContact CD1-CG1 3.97Å; I981-V1008 HydrophobicContact CD1-CG2 4.15Å; I981-V1008 HydrophobicContact CG1-CG1 4.4Å; Y985-V1008 WeakPolarHBondContact OH-CG1 3.38Å; L994-V1008 HydrophobicContact CD1-CG1 4.34Å; L994-V1008 HydrophobicContact CD1-CG2 4.47Å; L994-V1008 HydrophobicContact CD2-CG1 3.81Å; I1004-V1008 HydrophobicContact CG2-CG2 4.17Å; I1004-V1008 WeakPolarHBondContact O-CB 3.36Å; I1004-V1008 VanDerWaalsContact O-CG2 3.26Å; I1004-V1008 WeakPolarHBondContact O-CG2 3.22Å; I1004-V1008 PolarHBondContact O-N 2.7Å; V1008-R1010 PolarHBondContact O-N 2.86Å; V1008-I1011 PolarHBondContact O-N 2.91Å; V1008-C1012 WeakPolarHBondContact O-CB 3.39Å; V1008-C1012 PolarHBondContact O-N 3.18Å; V1008-C1012 PolarHBondContact O-SG 3.44Å
1009	A	79.5	Confident	72.1	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.6	-39.3	-178.9	0	0	0	0	0	113.1	L718 Y721 L722 T1005 M1006 C1007 L1013	L718-A1009 HydrophobicContact CB-CB 3.82Å; L718-A1009 HydrophobicContact CD2-CB 4Å; L718-A1009 HydrophobicContact CG-CB 4.35Å; Y721-A1009 HydrophobicContact CD1-CB 4.49Å; L722-A1009 HydrophobicContact CD1-CB 3.42Å; L722-A1009 VanDerWaalsContact CD1-CB 3.42Å; L722-A1009 HydrophobicContact CD2-CB 4.23Å; L722-A1009 HydrophobicContact CG-CB 3.58Å; T1005-A1009 WeakPolarHBondContact O-CB 3.35Å; T1005-A1009 PolarHBondContact O-N 2.97Å; M1006-A1009 PolarHBondContact O-N 3.27Å; C1007-A1009 PolarHBondContact O-N 3.22Å; A1009-L1013 WeakPolarHBondContact O-CG 3.48Å; A1009-L1013 PolarHBondContact O-N 3.25Å; A1009-L1013 VanDerWaalsContact O-N 3.11Å
1010	R	80	Confident	72.7	Confident	38 Å²	38	35.9 Å²	35.9	14%	0.143	20%	0.201	C	C	.	.	H	α-helix	trans	-69.2	-42	179.6	-77.8	-164.5	175.3	150.5	23.3	112.7	L722 D797 L800 T801 M1006 C1007 V1008 L1013 Y1014	L722-R1010 HydrophobicContact CD1-CG 3.89Å; L722-R1010 HydrophobicContact CD2-CG 4.29Å; D797-R1010 VanDerWaalsContact C-NH1 3.34Å; D797-R1010 PolarHBondContact O-NH1 2.64Å; D797-R1010 IonicContact OD1-CZ 2.81Å; D797-R1010 IonicContact OD1-NE 3.5Å; D797-R1010 IonicContact OD1-NH1 3.61Å; D797-R1010 PolarHBondContact OD1-NH1 3.37Å; D797-R1010 VanDerWaalsContact OD1-NH1 3.13Å; D797-R1010 IonicContact OD1-NH2 3.42Å; D797-R1010 PolarHBondContact OD1-NH2 2.67Å; D797-R1010 IonicContact OD2-CZ 2.72Å; D797-R1010 VanDerWaalsContact OD2-CZ 3.24Å; D797-R1010 IonicContact OD2-NH1 3.03Å; D797-R1010 PolarHBondContact OD2-NH1 3.29Å; D797-R1010 IonicContact OD2-NH2 2.71Å; D797-R1010 PolarHBondContact OD2-NH2 3.2Å; L800-R1010 HydrophobicContact CD2-CB 4.16Å; T801-R1010 WeakPolarHBondContact OG1-CD 3.25Å; T801-R1010 VanDerWaalsContact OG1-CZ 3.28Å; T801-R1010 PolarHBondContact OG1-NE 2.96Å; T801-R1010 PolarHBondContact OG1-NH1 2.89Å; M1006-R1010 WeakPolarHBondContact O-CG 3.43Å; M1006-R1010 PolarHBondContact O-N 3.36Å; C1007-R1010 PolarHBondContact O-N 3.49Å; V1008-R1010 PolarHBondContact O-N 2.86Å; R1010-L1013 PolarHBondContact O-N 2.97Å; R1010-Y1014 VanDerWaalsContact O-CB 3.27Å; R1010-Y1014 WeakPolarHBondContact O-CB 3.42Å; R1010-Y1014 PolarHBondContact O-N 3.3Å
1011	I	81.2	Confident	73.4	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-72.1	-34.6	-178.9	-69.3	160.3	0	0	0	110.7	L800 L889 L974 F977 Y978 C1007 V1008 N1015	L800-I1011 HydrophobicContact CD1-CD1 4.32Å; L800-I1011 HydrophobicContact CD1-CG1 4.5Å; L800-I1011 HydrophobicContact CD2-CD1 4.08Å; L800-I1011 HydrophobicContact CD2-CG1 4.29Å; L889-I1011 HydrophobicContact CD2-CD1 4.13Å; L974-I1011 HydrophobicContact CD2-CD1 3.36Å; L974-I1011 HydrophobicContact CD2-CG1 3.98Å; F977-I1011 HydrophobicContact CD1-CB 4.34Å; F977-I1011 HydrophobicContact CD1-CD1 3.37Å; F977-I1011 HydrophobicContact CD1-CG1 4.43Å; F977-I1011 HydrophobicContact CD1-CG2 4.3Å; F977-I1011 HydrophobicContact CE1-CD1 3.61Å; F977-I1011 HydrophobicContact CG-CD1 4.39Å; Y978-I1011 HydrophobicContact CD2-CG2 4.36Å; C1007-I1011 PolarHBondContact O-N 2.65Å; C1007-I1011 VanDerWaalsContact O-N 3.09Å; V1008-I1011 PolarHBondContact O-N 2.91Å; I1011-N1015 PolarHBondContact O-N 3.15Å; I1011-N1015 VanDerWaalsContact O-N 3.14Å
1012	C	78.2	Confident	74.3	Confident	5 Å²	5	36.4 Å²	36.4	3%	0.034	20%	0.201	C	C	.	.	H	α-helix	trans	-58.5	-48.6	168.8	-68.2	0	0	0	0	113	I715 Y985 V1008 Q1016	I715-C1012 HydrophobicContact CG1-CB 4.23Å; I715-C1012 HydrophobicContact CG2-CB 4.48Å; Y985-C1012 PolarHBondContact OH-SG 3.05Å; V1008-C1012 WeakPolarHBondContact O-CB 3.39Å; V1008-C1012 PolarHBondContact O-N 3.18Å; V1008-C1012 PolarHBondContact O-SG 3.44Å; C1012-Q1016 PolarHBondContact O-N 3.25Å
1013	L	75	Confident	74.3	Confident	53 Å²	53	38 Å²	38	28%	0.277	21%	0.209	S	C	.	.	H	α-helix	trans	-70.3	-37.9	179.9	-71.2	-177.9	0	0	0	112.8	I715 L722 A1009 R1010 N1015 Q1016 T1017	I715-L1013 HydrophobicContact CG2-CD2 3.85Å; L722-L1013 HydrophobicContact CD1-CD1 3.64Å; A1009-L1013 WeakPolarHBondContact O-CG 3.48Å; A1009-L1013 PolarHBondContact O-N 3.25Å; A1009-L1013 VanDerWaalsContact O-N 3.11Å; R1010-L1013 PolarHBondContact O-N 2.97Å; L1013-N1015 VanDerWaalsContact C-N 3.34Å; L1013-N1015 PolarHBondContact O-N 3.43Å; L1013-Q1016 PolarHBondContact O-N 3.47Å; L1013-T1017 PolarHBondContact O-N 3.02Å; L1013-T1017 VanDerWaalsContact O-N 3.11Å; L1013-T1017 PolarHBondContact O-OG1 2.84Å
1014	Y	75.8	Confident	74.1	Confident	57 Å²	57	40.2 Å²	40.2	22%	0.224	22%	0.222	C	C	.	.	H	α-helix	trans	-58.9	-46.4	177.5	179.9	-99.5	0	0	0	111.4	L804 T808 R1010 T1017 N1018	L804-Y1014 HydrophobicContact CB-CD2 3.89Å; L804-Y1014 HydrophobicContact CB-CE2 3.83Å; L804-Y1014 HydrophobicContact CD1-CD2 4.08Å; L804-Y1014 HydrophobicContact CD1-CG 4.22Å; L804-Y1014 HydrophobicContact CD2-CD1 4.05Å; L804-Y1014 HydrophobicContact CD2-CD2 3.8Å; L804-Y1014 HydrophobicContact CD2-CE1 4.01Å; L804-Y1014 HydrophobicContact CD2-CE2 3.71Å; L804-Y1014 HydrophobicContact CD2-CG 3.95Å; L804-Y1014 HydrophobicContact CG-CD2 4.11Å; L804-Y1014 HydrophobicContact CG-CE2 4.25Å; T808-Y1014 HydrophobicContact CG2-CD2 4.47Å; T808-Y1014 HydrophobicContact CG2-CE2 3.49Å; T808-Y1014 VanDerWaalsContact CG2-CE2 3.49Å; R1010-Y1014 VanDerWaalsContact O-CB 3.27Å; R1010-Y1014 WeakPolarHBondContact O-CB 3.42Å; R1010-Y1014 PolarHBondContact O-N 3.3Å; Y1014-T1017 PolarHBondContact O-N 3.35Å; Y1014-T1017 VanDerWaalsContact O-N 3.07Å; Y1014-T1017 PolarHBondContact O-OG1 3.38Å; Y1014-N1018 WeakPolarHBondContact CE1-ND2 3.44Å; Y1014-N1018 VanDerWaalsContact CZ-ND2 3.31Å; Y1014-N1018 PolarHBondContact O-N 2.69Å; Y1014-N1018 PolarHBondContact O-ND2 2.7Å
1015	N	71.8	Confident	73.6	Confident	33 Å²	33	42.9 Å²	42.9	18%	0.176	24%	0.237	C	C	.	.	H	α-helix	trans	-71.5	-32.4	179.2	-69.6	-25	0	0	0	112.3	Y978 I1011 L1013 T1017 N1018 S1019	Y978-N1015 WeakPolarHBondContact CD1-ND2 3.04Å; Y978-N1015 HydrophobicContact CD2-CB 4.43Å; Y978-N1015 WeakPolarHBondContact CD2-ND2 3.22Å; Y978-N1015 HydrophobicContact CE1-CB 4.37Å; Y978-N1015 HydrophobicContact CE2-CB 3.76Å; Y978-N1015 WeakPolarHBondContact CE2-ND2 3.48Å; I1011-N1015 PolarHBondContact O-N 3.15Å; I1011-N1015 VanDerWaalsContact O-N 3.14Å; L1013-N1015 VanDerWaalsContact C-N 3.34Å; L1013-N1015 PolarHBondContact O-N 3.43Å; N1015-T1017 PolarHBondContact O-N 3.01Å; N1015-N1018 PolarHBondContact O-N 3.03Å; N1015-N1018 VanDerWaalsContact O-N 3.11Å; N1015-S1019 WeakPolarHBondContact O-CB 3.14Å; N1015-S1019 PolarHBondContact O-N 3.19Å; N1015-S1019 VanDerWaalsContact O-N 3.09Å; N1015-S1019 PolarHBondContact O-OG 2.87Å
1016	Q	67.5	Low	73.2	Confident	90 Å²	90	45.9 Å²	45.9	42%	0.421	25%	0.254	S	S	.	.	H	α-helix	trans	-63.1	-20.3	167.2	-83.6	-163.5	-17.5	0	0	114.8	I715 C1012 L1013	I715-Q1016 HydrophobicContact CD1-CG 4.32Å; I715-Q1016 VanDerWaalsContact CG2-CD 3.49Å; I715-Q1016 HydrophobicContact CG2-CG 4.43Å; C1012-Q1016 PolarHBondContact O-N 3.25Å; L1013-Q1016 PolarHBondContact O-N 3.47Å
1017	T	62.7	Low	72.8	Confident	108 Å²	108	48.2 Å²	48.2	66%	0.663	27%	0.267	S	S	*	.	H	α-helix	trans	-89.7	-8.9	173.7	50	0	0	0	0	114.1	L1013 Y1014 N1015	L1013-T1017 PolarHBondContact O-N 3.02Å; L1013-T1017 VanDerWaalsContact O-N 3.11Å; L1013-T1017 PolarHBondContact O-OG1 2.84Å; Y1014-T1017 PolarHBondContact O-N 3.35Å; Y1014-T1017 VanDerWaalsContact O-N 3.07Å; Y1014-T1017 PolarHBondContact O-OG1 3.38Å; N1015-T1017 PolarHBondContact O-N 3.01Å
1018	N	58.5	Low	72	Confident	95 Å²	95	52.2 Å²	52.2	51%	0.508	29%	0.289	S	S	.	.	H	α-helix	trans	-115.4	0.3	-178.4	-65.3	-36.8	0	0	0	113.4	Y1014 N1015	Y1014-N1018 WeakPolarHBondContact CE1-ND2 3.44Å; Y1014-N1018 VanDerWaalsContact CZ-ND2 3.31Å; Y1014-N1018 PolarHBondContact O-N 2.69Å; Y1014-N1018 PolarHBondContact O-ND2 2.7Å; N1015-N1018 PolarHBondContact O-N 3.03Å; N1015-N1018 VanDerWaalsContact O-N 3.11Å
1019	S	51	Low	71	Confident	143 Å²	143	56.9 Å²	56.9	100%	1	32%	0.315	S	S	*	.			trans	-110.3	0	173.7	67.5	0	0	0	0	111.8	N1015	N1015-S1019 WeakPolarHBondContact O-CB 3.14Å; N1015-S1019 PolarHBondContact O-N 3.19Å; N1015-S1019 VanDerWaalsContact O-N 3.09Å; N1015-S1019 PolarHBondContact O-OG 2.87Å

Retrieved 1,019 of 1,019 residues in 600.7 ms (Link to these results)

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