A0A5K4ET95_SCHMA Loading...

DH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4ET95, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,137 aa.

						>A0A5K4ET95_SCHMA|A0A5K4ET95
MESTEVNCSENSAIQETTTTITTATSTTIVNKITTDKTTTEDHYDIPNNQTEVLTKTTHSDTCNNNDLQSNVNSYENTLTESKVSVDEVENSQDLNKTNTGITIIRDETMNPHIDTFKSEVIPMNTDVSTENTDEVKMKKDKTHMETSEQLQQNSLKNNEDIKTEVELSFTKNSPDISTRNNSSINQSNENYITAHEESVVNNDKDDDKNSPKHPHRPPPPKLSQTKHTSGSLSYSGGENDELTSKNDNSQIDNNNNYETNPKTSLKQQQNDQQKPQYKRPSMKSNIKHVFTNLRKSFKRKDKPSVKRVVSNHDDVENKYTYNSQQPMTTHSYYNNSNNYNDHRNKQSNSLSSSTPHQYYRNSNEIQENQSQLSNEQSLNISITDSLQQLKRPEEDLDIVYSTELIAPPAIPTKMSSDPNNPIYVNHSIKPNRPPNIDRKENDVSSPKPTRPSNPPLISPMDHHQRCDRLDEKNEIGIRRLDLVNSINPGGKFTDYDHGHFDDTVRYYNTEPLSMQFQPHHSYTMRSERRIMSPTSLDRRYPQEYDQYYSSPEARRVQTMRYTDYPTRPRLYQPTYQSATLSFNEYDHHYNNGTLKPRRPKIITERYKCSEVYNWPPKFPKLKRRKTNPPKQIHTAQDHIVIKQQLKTSAENNHSSPVQHTQSNTEQIQCIKVNNQYQSPNGKRELSVSPEPQVTSLHSLQRSTLLEKSNRTSGTETRDQLFIADYKLAPNNQIGSTKPDSLALPYFAKMTENKRFSKFHYNTTTNNNTSNNNNNNIAVSAEVMRSESPKSSTTLKDALKIMHPLFQCLQDKQPTTSSSPTDNHESQNSKLLIDCLSEYLFTCMKLRSLDLQGEFATFVFPLKNFNEQVWNKYGIIDNWNEISIVCAPNTNYEYVVLNTAKESAQKIRFPTKTIDKLLTNWLDNQTTKTPSPENRHSMEKKNNTEKTSDNKLLHSISLAVTLKSLLNLFEKHKEESKAEAESGEQQHQHHHHEQQQCVDLFLTCIKLNVLLSLSECLDKDKSIQLDLIPEHILLILTPSNCLTIFKQYEKDKLPNTDSNHNEVILKETNLQCLLDALHIQSHSMNDSINDVLKQFYEIIQHNYQSKEMIISLLKSIAPPDWITMCVARICLYNQTNS
					

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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	36.7	Very low	33.1	Very low	220 Å²	220	152.1 Å²	152.1	100%	1.084	84%	0.84	S	S	*	*				0	56.2	0	-54.8	175.7	-174.3	0	0	106.9
2	E	33.7	Very low	32.7	Very low	168 Å²	168	148.7 Å²	148.7	79%	0.785	83%	0.834	S	S	*	*				70.8	89.5	78.7	-69.3	156.6	125.9	0	0	109.1
3	S	29.4	Very low	32.7	Very low	112 Å²	112	144.8 Å²	144.8	78%	0.783	83%	0.833	S	S	*	*				69.2	100.5	54.7	-46.1	0	0	0	0	112.7
4	T	37.3	Very low	32.4	Very low	149 Å²	149	146.1 Å²	146.1	91%	0.914	83%	0.833	S	S	*	*				-162.8	138.6	118.1	22.5	0	0	0	0	109.8
5	E	31.9	Very low	32.5	Very low	185 Å²	185	148.6 Å²	148.6	86%	0.864	84%	0.835	S	S	*	*			trans	-77.6	164.5	161.2	-55	162	131.8	0	0	109.2
6	V	37.4	Very low	32.2	Very low	153 Å²	153	150.6 Å²	150.6	93%	0.927	84%	0.835	S	S	*	*			trans	-168.7	156.9	132.1	142.8	0	0	0	0	108.7
7	N	31.9	Very low	32.3	Very low	141 Å²	141	149.5 Å²	149.5	75%	0.754	83%	0.833	S	S	*	*			trans	-112.7	164.5	-157.7	-141.8	-11.4	0	0	0	112.7
8	C	29.1	Very low	32.1	Very low	112 Å²	112	148.4 Å²	148.4	76%	0.757	83%	0.832	S	S	*	*			trans	66.7	155.4	160.7	-63.2	0	0	0	0	117.9
9	S	33.2	Very low	32	Very low	103 Å²	103	147.5 Å²	147.5	72%	0.72	83%	0.83	S	S	*	*			cis	-159.6	156	-8.2	38.3	0	0	0	0	111.3
10	E	29.6	Very low	31.9	Very low	172 Å²	172	145.7 Å²	145.7	80%	0.804	82%	0.823	S	S	*	*			trans	14.3	119.9	154.4	-57.6	179.4	145.6	0	0	119.5
11	N	33.5	Very low	31.7	Very low	158 Å²	158	145.8 Å²	145.8	85%	0.845	82%	0.82	S	S	*	*				-167.6	151.4	105.8	-107.7	-71.6	0	0	0	115.4
12	S	28.8	Very low	31.4	Very low	111 Å²	111	141.2 Å²	141.2	78%	0.776	80%	0.804	S	S	*	*			trans	-28.1	122.2	174.3	163.8	0	0	0	0	118.2
13	A	32.7	Very low	31.1	Very low	98 Å²	98	138.3 Å²	138.3	81%	0.81	80%	0.798	S	S	*	*			trans	-142.1	136.4	147.1	0	0	0	0	0	110.6
14	I	28.7	Very low	31	Very low	163 Å²	163	137.7 Å²	137.7	84%	0.836	80%	0.8	S	S	*	*			trans	-82.3	130.1	178.3	-63	161.1	0	0	0	108.9
15	Q	32.9	Very low	30.8	Very low	184 Å²	184	136.4 Å²	136.4	86%	0.86	79%	0.792	S	S	*	*			trans	-148.9	139.3	156.2	-140.9	163.4	8.6	0	0	112
16	E	28.7	Very low	30.5	Very low	181 Å²	181	133 Å²	133	85%	0.846	79%	0.788	S	S	*	*			trans	-79.8	141.6	-176.9	-59.8	155.3	127.5	0	0	110.4
17	T	33.3	Very low	30.2	Very low	131 Å²	131	132.1 Å²	132.1	80%	0.804	78%	0.783	S	S	*	*			trans	-135.7	96.2	170	-38	0	0	0	0	110.4	T19	T17-T19 PolarHBondContact O-N 3.28Å
18	T	28.4	Very low	30.2	Very low	131 Å²	131	130.4 Å²	130.4	80%	0.804	78%	0.778	S	S	*	*			trans	-60.2	114.9	176.6	-46.5	0	0	0	0	110.5
19	T	30.8	Very low	30.3	Very low	130 Å²	130	131.9 Å²	131.9	80%	0.798	78%	0.777	S	S	*	*			trans	-88.8	113.6	171	-57.5	0	0	0	0	108.8	T17 I21	T17-T19 PolarHBondContact O-N 3.28Å; T19-I21 PolarHBondContact O-N 3.26Å
20	T	30.7	Very low	30.1	Very low	112 Å²	112	132.4 Å²	132.4	69%	0.687	78%	0.776	S	S	*	*			trans	-63.3	125.2	-173.4	-50.8	0	0	0	0	112.5	T22	T20-T22 PolarHBondContact O-N 3.02Å
21	I	27.1	Very low	30.3	Very low	148 Å²	148	131.1 Å²	131.1	76%	0.759	77%	0.774	S	S	*	*			trans	-78.4	103.8	166.1	-60.9	174.9	0	0	0	107.8	T19 T23	T19-I21 PolarHBondContact O-N 3.26Å; I21-T23 PolarHBondContact O-N 3.48Å; I21-T23 VanDerWaalsContact O-N 3.08Å
22	T	29.7	Very low	30	Very low	124 Å²	124	131.8 Å²	131.8	76%	0.761	77%	0.77	S	S	*	*			trans	-79.6	87.3	176.2	-55.5	0	0	0	0	110.1	T20 A24	T20-T22 PolarHBondContact O-N 3.02Å; T22-A24 PolarHBondContact O-N 2.99Å
23	T	27.2	Very low	30.1	Very low	107 Å²	107	133.4 Å²	133.4	66%	0.656	77%	0.768	S	S	*	*			trans	-68	99	174.1	-51.9	0	0	0	0	110.5	I21 T25	I21-T23 PolarHBondContact O-N 3.48Å; I21-T23 VanDerWaalsContact O-N 3.08Å; T23-T25 HydrophobicContact CG2-CG2 4.28Å; T23-T25 PolarHBondContact O-N 3.11Å; T23-T25 VanDerWaalsContact O-N 3.11Å
24	A	28.9	Very low	29.8	Very low	98 Å²	98	134.1 Å²	134.1	81%	0.81	76%	0.763	S	S	*	*			trans	-77	90.4	172.9	0	0	0	0	0	110.5	T22	T22-A24 PolarHBondContact O-N 2.99Å
25	T	31.4	Very low	30.1	Very low	122 Å²	122	131.5 Å²	131.5	75%	0.748	75%	0.754	S	S	*	*			trans	-72.4	143.5	176.3	30.9	0	0	0	0	112.7	T23	T23-T25 HydrophobicContact CG2-CG2 4.28Å; T23-T25 PolarHBondContact O-N 3.11Å; T23-T25 VanDerWaalsContact O-N 3.11Å
26	S	27.4	Very low	30	Very low	113 Å²	113	130 Å²	130	79%	0.79	75%	0.752	S	S	*	*			trans	-69.9	124.9	-173.9	-49.1	0	0	0	0	114	T28	S26-T28 PolarHBondContact O-N 3.09Å
27	T	30.3	Very low	30	Very low	135 Å²	135	130.9 Å²	130.9	83%	0.828	75%	0.753	S	S	*	*			trans	-93.1	83	166.1	37.7	0	0	0	0	111.6	I29	T27-I29 PolarHBondContact O-N 3.14Å
28	T	32.3	Very low	30	Very low	105 Å²	105	131.7 Å²	131.7	64%	0.644	76%	0.758	S	S	*	*			trans	-74.9	108	166.5	-53.3	0	0	0	0	109	S26 V30	S26-T28 PolarHBondContact O-N 3.09Å; T28-V30 PolarHBondContact O-N 3.13Å; T28-V30 VanDerWaalsContact O-N 3.15Å
29	I	31.4	Very low	30	Very low	143 Å²	143	131.7 Å²	131.7	73%	0.733	76%	0.758	S	S	*	*			trans	-74.3	105.6	178.7	-61.5	177.3	0	0	0	109.7	T27 N31	T27-I29 PolarHBondContact O-N 3.14Å; I29-N31 PolarHBondContact O-N 3.24Å
30	V	29.3	Very low	30.2	Very low	115 Å²	115	131.5 Å²	131.5	70%	0.697	76%	0.757	S	S	*	*			trans	-87	92.6	173.1	-178.8	0	0	0	0	109.1	T28 K32	T28-V30 PolarHBondContact O-N 3.13Å; T28-V30 VanDerWaalsContact O-N 3.15Å; V30-K32 VanDerWaalsContact C-N 3.32Å; V30-K32 HydrophobicContact CG1-CB 4.31Å; V30-K32 PolarHBondContact O-N 3.34Å
31	N	32.3	Very low	30.2	Very low	144 Å²	144	134.7 Å²	134.7	77%	0.77	76%	0.764	S	S	*	*			trans	-72.2	84.9	173.6	-88.6	-7.2	0	0	0	111.1	I29	I29-N31 PolarHBondContact O-N 3.24Å
32	K	27.7	Very low	30.6	Very low	172 Å²	172	135.6 Å²	135.6	75%	0.748	77%	0.771	S	S	*	*			trans	-104.9	79.4	174.3	-169.7	-179.9	-176.6	-178.5	0	110.2	V30	V30-K32 VanDerWaalsContact C-N 3.32Å; V30-K32 HydrophobicContact CG1-CB 4.31Å; V30-K32 PolarHBondContact O-N 3.34Å
33	I	31.8	Very low	30.7	Very low	145 Å²	145	137.4 Å²	137.4	74%	0.744	77%	0.77	S	S	*	*			trans	-78.8	125	172.5	-61.9	178.7	0	0	0	108.3
34	T	26.2	Very low	31.2	Very low	113 Å²	113	142.6 Å²	142.6	69%	0.693	78%	0.779	S	S	*	*			trans	-149	86.2	178.2	-50.7	0	0	0	0	109.3
35	T	34.1	Very low	31.5	Very low	108 Å²	108	144.3 Å²	144.3	66%	0.663	78%	0.775	S	S	*	*			trans	-154.6	147.4	175.4	47.5	0	0	0	0	107.4
36	D	31.8	Very low	31.6	Very low	152 Å²	152	145.6 Å²	145.6	81%	0.813	78%	0.775	S	S	*	*			cis	-149.8	166.1	-18	-107	-42.8	0	0	0	109.4
37	K	28.3	Very low	32	Very low	200 Å²	200	145.9 Å²	145.9	87%	0.87	78%	0.775	S	S	*	*			trans	-96.4	122.9	174.6	-73.6	-177.4	178.6	179.5	0	111.7
38	T	33.5	Very low	32.1	Very low	148 Å²	148	145.9 Å²	145.9	91%	0.908	77%	0.77	S	S	*	*			trans	-147.3	151.4	153	17.7	0	0	0	0	111.1
39	T	29	Very low	32.3	Very low	131 Å²	131	147.1 Å²	147.1	80%	0.804	77%	0.773	S	S	*	*			trans	-116.9	139.9	-168.9	46.1	0	0	0	0	112.5
40	T	34.7	Very low	32.4	Very low	126 Å²	126	148.6 Å²	148.6	77%	0.773	78%	0.776	S	S	*	*			trans	175.5	111.6	141.6	33.5	0	0	0	0	105.5
41	E	30.1	Very low	32.6	Very low	179 Å²	179	148.8 Å²	148.8	84%	0.836	78%	0.778	S	S	*	*				63.6	106.6	81.9	-70.8	-168.9	157.3	0	0	113.7
42	D	34.8	Very low	32.5	Very low	168 Å²	168	150.2 Å²	150.2	90%	0.898	78%	0.78	S	S	*	*				-154.6	153.3	125.3	-119.2	-30.5	0	0	0	109.9
43	H	33.4	Very low	32.8	Very low	161 Å²	161	148.1 Å²	148.1	75%	0.745	78%	0.781	S	S	*	*			trans	-99.3	161.2	-175.3	-81.3	-12.1	0	0	0	113.2
44	Y	35.9	Very low	32.6	Very low	216 Å²	216	148.3 Å²	148.3	85%	0.847	78%	0.783	S	S	*	*				-166.9	96.8	126.5	-103.3	-63.3	0	0	0	113.6
45	D	35.1	Very low	32.9	Very low	134 Å²	134	149.2 Å²	149.2	72%	0.717	79%	0.789	S	S	*	*			trans	58	157.6	141.2	-62.5	-22.6	0	0	0	125.5
46	I	34.7	Very low	32.7	Very low	149 Å²	149	152.4 Å²	152.4	76%	0.764	79%	0.793	S	S	*	*			trans	-137.1	143	-159.9	-78.4	164.3	0	0	0	107.6
47	P	35.8	Very low	32.6	Very low	120 Å²	120	150.7 Å²	150.7	78%	0.779	79%	0.789	S	S	*	*				-153.7	129.7	109.3	35	-14.3	0	0	0	118.9
48	N	32.9	Very low	32.6	Very low	135 Å²	135	146.2 Å²	146.2	72%	0.722	78%	0.778	S	S	*	*			trans	29.7	127.8	132.4	-62.6	-15.3	0	0	0	122.5
49	N	35.5	Very low	32.7	Very low	131 Å²	131	147.2 Å²	147.2	70%	0.701	77%	0.772	S	S	*	*				-160.9	132.3	104.2	-93.1	-30.9	0	0	0	109.7
50	Q	32.8	Very low	32.7	Very low	173 Å²	173	145.2 Å²	145.2	81%	0.808	76%	0.763	S	S	*	*				58.7	132.8	95	-56.6	-174.7	8.7	0	0	113.3
51	T	33.7	Very low	32.7	Very low	119 Å²	119	147.2 Å²	147.2	73%	0.73	77%	0.769	S	S	*	*			cis	-149.6	167.5	37.6	-56.8	0	0	0	0	113.9
52	E	31.3	Very low	32.7	Very low	175 Å²	175	144.1 Å²	144.1	82%	0.818	76%	0.763	S	S	*	*			trans	-33.3	165.2	168.4	-55.3	173.5	123.7	0	0	117.2
53	V	32.6	Very low	32.6	Very low	127 Å²	127	141 Å²	141	77%	0.77	75%	0.753	S	S	*	*			cis	-148.8	149.4	48.9	173.7	0	0	0	0	113.8
54	L	27.6	Very low	32.6	Very low	150 Å²	150	139.3 Å²	139.3	79%	0.785	75%	0.75	S	S	*	*			trans	-136.7	129	176.1	-167.1	161.6	0	0	0	109.4
55	T	34.4	Very low	32.4	Very low	132 Å²	132	135.2 Å²	135.2	81%	0.81	74%	0.742	S	S	*	*			trans	-139.9	137.3	178.6	6.1	0	0	0	0	113.5
56	K	28.3	Very low	32.4	Very low	174 Å²	174	134.3 Å²	134.3	76%	0.757	74%	0.738	S	S	*	*			trans	-102.9	168.2	177	-56.8	168.7	-179.4	173	0	110.3
57	T	30.8	Very low	32.4	Very low	117 Å²	117	132.6 Å²	132.6	72%	0.718	73%	0.73	S	S	*	*			trans	175.7	101.7	141.2	-73.1	0	0	0	0	106.6
58	T	28.6	Very low	32.3	Very low	106 Å²	106	133.1 Å²	133.1	65%	0.65	73%	0.725	S	S	*	*				57.6	107.7	68.2	66.6	0	0	0	0	116.3
59	H	35.6	Very low	32.3	Very low	168 Å²	168	134 Å²	134	78%	0.778	73%	0.725	S	S	*	*			trans	-163.6	121.7	132.3	-81.1	-56.5	0	0	0	106.2
60	S	28.6	Very low	31.9	Very low	89 Å²	89	132 Å²	132	62%	0.622	72%	0.721	S	S	*	*			cis	76.4	101.8	38	84.4	0	0	0	0	113.9
61	D	34.5	Very low	31.8	Very low	168 Å²	168	130.4 Å²	130.4	90%	0.898	72%	0.718	S	S	*	*			trans	-147.3	156.8	144.5	-122.3	-32.6	0	0	0	111
62	T	30.2	Very low	31.5	Very low	115 Å²	115	130 Å²	130	71%	0.706	72%	0.716	S	S	*	*			trans	-145.1	143.4	-152.2	-41.1	0	0	0	0	112.2
63	C	32.9	Very low	31.4	Very low	103 Å²	103	128.3 Å²	128.3	70%	0.696	71%	0.712	S	S	*	*			trans	176.6	123.6	137.8	-97.5	0	0	0	0	113.6
64	N	33.5	Very low	31.1	Very low	125 Å²	125	126.3 Å²	126.3	67%	0.668	70%	0.704	S	S	*	*				60.9	137.1	120.5	-61.7	5.9	0	0	0	120.8
65	N	31.8	Very low	31.1	Very low	130 Å²	130	128.9 Å²	128.9	70%	0.695	71%	0.705	S	S	*	*			cis	-169.1	169.5	-7.6	-127.8	13.6	0	0	0	112.5
66	N	35.3	Very low	30.7	Very low	115 Å²	115	129.8 Å²	129.8	62%	0.615	70%	0.7	S	S	*	*			trans	68.4	142.6	159.7	-64.6	35.1	0	0	0	117.2
67	D	34.4	Very low	30.6	Very low	112 Å²	112	127.5 Å²	127.5	60%	0.599	70%	0.695	S	S	*	*			cis	-161.1	149	-9	-108.3	-22.7	0	0	0	112
68	L	34	Very low	30.5	Very low	131 Å²	131	127.9 Å²	127.9	69%	0.686	70%	0.698	S	S	*	*			trans	52.7	137.3	139.5	-55.2	172.5	0	0	0	120.2
69	Q	31.8	Very low	30.4	Very low	155 Å²	155	130 Å²	130	72%	0.724	70%	0.704	S	S	*	*			cis	-168.2	163.2	-3.3	-137.2	168.4	1.2	0	0	111.1
70	S	28	Very low	30.1	Very low	88 Å²	88	128.7 Å²	128.7	62%	0.615	71%	0.709	S	S	*	*			trans	21.6	147.4	145.9	60	0	0	0	0	121.8
71	N	30.4	Very low	30.1	Very low	139 Å²	139	133.7 Å²	133.7	74%	0.743	72%	0.722	S	S	*	*			cis	-165.1	141.9	13.3	-116.3	6.9	0	0	0	108.5
72	V	27.1	Very low	29.8	Very low	112 Å²	112	131.5 Å²	131.5	68%	0.679	72%	0.72	S	S	*	*				70.9	136.1	89.8	173.8	0	0	0	0	115.9
73	N	28.8	Very low	29.8	Very low	139 Å²	139	134.8 Å²	134.8	74%	0.743	72%	0.724	S	S	*	*			trans	84.5	91.9	164.9	-75	-1.1	0	0	0	122.4
74	S	25.8	Very low	29.8	Very low	85 Å²	85	135.9 Å²	135.9	59%	0.594	73%	0.728	S	S	*	*				66.4	146.5	102.5	72.6	0	0	0	0	124.6
75	Y	27.4	Very low	29.6	Very low	204 Å²	204	134.5 Å²	134.5	80%	0.8	73%	0.728	S	S	*	*			trans	85.9	117.9	155.4	-69.6	-70.7	0	0	0	121.3
76	E	26.3	Very low	29.8	Very low	151 Å²	151	133.5 Å²	133.5	71%	0.706	73%	0.726	S	S	*	*			trans	62.1	141.6	134	-76.9	-177.2	137.1	0	0	124.7
77	N	27.4	Very low	29.8	Very low	125 Å²	125	134.5 Å²	134.5	67%	0.668	73%	0.732	S	S	*	*			trans	42.6	138.1	137.2	-49.6	-28.1	0	0	0	119.1
78	T	27.2	Very low	29.7	Very low	126 Å²	126	136.8 Å²	136.8	77%	0.773	74%	0.739	S	S	*	*			cis	-166.5	-177.5	39.4	-31.3	0	0	0	0	110.9
79	L	26.9	Very low	29.6	Very low	149 Å²	149	136.3 Å²	136.3	78%	0.78	74%	0.741	S	S	*	*			trans	-44.3	152.4	158.8	-78.1	68.3	0	0	0	111.8
80	T	30.4	Very low	29.4	Very low	142 Å²	142	136.2 Å²	136.2	87%	0.871	74%	0.741	S	S	*	*				-164.7	163.8	80.1	31.7	0	0	0	0	115.5
81	E	28	Very low	29.4	Very low	193 Å²	193	137.7 Å²	137.7	90%	0.902	74%	0.741	S	S	*	*			trans	-73.4	157.1	170.1	-47.1	169	107.3	0	0	112.6
82	S	28.4	Very low	29.2	Very low	122 Å²	122	135.6 Å²	135.6	85%	0.853	74%	0.738	S	S	*	*				-162.7	162.1	126.5	-158.3	0	0	0	0	113.4
83	K	29.8	Very low	29.2	Very low	184 Å²	184	139 Å²	139	80%	0.8	75%	0.746	S	S	*	*			trans	-75.9	163.1	178	-64.9	145.6	-176.8	167.9	0	110.9
84	V	32.7	Very low	29.1	Very low	126 Å²	126	139.7 Å²	139.7	76%	0.764	75%	0.75	S	S	*	*				-174.5	110.5	93.3	145.2	0	0	0	0	105.4
85	S	29.3	Very low	29.4	Very low	96 Å²	96	143 Å²	143	67%	0.671	76%	0.76	S	S	*	*				51.2	139.6	98.7	60.2	0	0	0	0	114.6
86	V	35.9	Very low	29.4	Very low	109 Å²	109	140.7 Å²	140.7	66%	0.661	76%	0.761	S	S	*	*				-173.7	146.2	75.1	156.8	0	0	0	0	109.5
87	D	35.1	Very low	29.5	Very low	137 Å²	137	142 Å²	142	73%	0.733	77%	0.765	S	S	*	*			trans	59.6	151.5	160.6	-60.3	-8.7	0	0	0	120.8
88	E	32.3	Very low	29.4	Very low	160 Å²	160	141.5 Å²	141.5	75%	0.748	77%	0.767	S	S	*	*			cis	-158.3	169.2	-14.1	-118.4	-169.5	152	0	0	111
89	V	33.2	Very low	29.5	Very low	121 Å²	121	143 Å²	143	73%	0.733	77%	0.77	S	S	*	*			trans	26.9	139.1	142.4	173.5	0	0	0	0	119.9
90	E	28.1	Very low	29.5	Very low	153 Å²	153	142.4 Å²	142.4	72%	0.715	77%	0.772	S	S	*	*			cis	-178.2	166.3	-15.3	-168.1	-169	-121.2	0	0	106.4
91	N	26.7	Very low	29.3	Very low	118 Å²	118	139.2 Å²	139.2	63%	0.631	77%	0.768	S	S	*	*			trans	63.1	112.4	150.4	-104.8	-46.3	0	0	0	122.2
92	S	26.2	Very low	29.1	Very low	95 Å²	95	137.2 Å²	137.2	66%	0.664	76%	0.762	S	S	*	*				81.2	138.5	124.3	-76.1	0	0	0	0	124.1
93	Q	28.4	Very low	29	Very low	184 Å²	184	137.3 Å²	137.3	86%	0.86	76%	0.757	S	S	*	*			trans	78.9	149	151.2	-74.6	179.5	-15.8	0	0	121.5
94	D	26	Very low	28.7	Very low	153 Å²	153	134.5 Å²	134.5	82%	0.818	75%	0.75	S	S	*	*			trans	-59.5	146.9	-174.4	-54.6	-96.5	0	0	0	114.7
95	L	31	Very low	28.6	Very low	156 Å²	156	135.3 Å²	135.3	82%	0.817	75%	0.748	S	S	*	*			trans	-163.8	125.7	134.5	-111.5	158.8	0	0	0	113.6
96	N	28.1	Very low	28.3	Very low	154 Å²	154	141.2 Å²	141.2	82%	0.824	76%	0.756	S	S	*	*			trans	-62.3	132.3	164.4	-82.3	-74.1	0	0	0	111
97	K	29.5	Very low	27.9	Very low	178 Å²	178	142.5 Å²	142.5	77%	0.774	76%	0.759	S	S	*	*			trans	-164.5	118.4	147.7	-108.5	146.9	-171.8	172.2	0	114.8
98	T	25.2	Very low	27.6	Very low	115 Å²	115	144.6 Å²	144.6	71%	0.706	76%	0.764	S	S	*	*			trans	29.1	129	132.4	58.5	0	0	0	0	119.6
99	N	29.1	Very low	27.3	Very low	159 Å²	159	143.1 Å²	143.1	85%	0.85	77%	0.766	S	S	*	*				-155	153.3	104.4	-105.2	-25.3	0	0	0	114.7
100	T	25.3	Very low	27.3	Very low	135 Å²	135	145.6 Å²	145.6	83%	0.828	77%	0.772	S	S	*	*			trans	-83.4	140.9	178.4	46.9	0	0	0	0	112
101	G	27.9	Very low	27.2	Very low	75 Å²	75	145.4 Å²	145.4	77%	0.773	78%	0.776	S	S	*	*			trans	-144.5	89.8	169.9	0	0	0	0	0	111.5
102	I	23	Very low	27.6	Very low	151 Å²	151	144.9 Å²	144.9	77%	0.774	78%	0.779	S	S	*	*			trans	-93.3	114.1	171.1	-62.8	173.6	0	0	0	107.9	I104	I102-I104 HydrophobicContact CG2-CD1 4.19Å; I102-I104 HydrophobicContact CG2-CG1 3.93Å
103	T	26.9	Very low	27.8	Very low	124 Å²	124	148.8 Å²	148.8	76%	0.761	79%	0.787	S	S	*	*			trans	-114.7	99.1	167.2	-51.3	0	0	0	0	108.8	I105	T103-I105 HydrophobicContact CG2-CG1 4.2Å
104	I	23.4	Very low	27.8	Very low	126 Å²	126	145.6 Å²	145.6	65%	0.646	77%	0.774	S	S	*	*			trans	-84.8	121.5	166.7	-65.2	165.1	0	0	0	106.8	I102 R106	I102-I104 HydrophobicContact CG2-CD1 4.19Å; I102-I104 HydrophobicContact CG2-CG1 3.93Å; I104-R106 HydrophobicContact CG2-CG 4.12Å
105	I	29.2	Very low	28	Very low	142 Å²	142	146 Å²	146	73%	0.728	78%	0.776	S	S	*	*			trans	-108.8	109.1	159.5	-58.2	-179.1	0	0	0	106.7	T103	T103-I105 HydrophobicContact CG2-CG1 4.2Å
106	R	23.8	Very low	27.8	Very low	221 Å²	221	142.7 Å²	142.7	83%	0.834	76%	0.763	S	S	*	*			trans	-105.2	122.1	157	-75.4	-178.6	177.3	132.6	-4.2	105.6	I104	I104-R106 HydrophobicContact CG2-CG 4.12Å
107	D	27.8	Very low	27.9	Very low	136 Å²	136	145.5 Å²	145.5	73%	0.727	77%	0.768	S	S	*	*			trans	-164.1	147.5	162.9	-80.6	-42.7	0	0	0	106.9
108	E	29.7	Very low	27.9	Very low	180 Å²	180	143 Å²	143	84%	0.841	76%	0.757	S	S	*	*			cis	-149.7	159.9	-37	-140.2	-175.2	-165.7	0	0	107.6
109	T	25.1	Very low	28	Very low	129 Å²	129	140.4 Å²	140.4	79%	0.791	74%	0.744	S	S	*	*			trans	-90.3	115.5	-170.6	50	0	0	0	0	113.6
110	M	32.6	Very low	27.9	Very low	173 Å²	173	136.1 Å²	136.1	85%	0.852	72%	0.719	S	S	*	*			trans	-143.4	103	159.7	-94.5	-58.7	148.6	0	0	114.4
111	N	27.5	Very low	28	Very low	150 Å²	150	136 Å²	136	80%	0.802	72%	0.717	S	S	*	*			trans	38.6	155.4	145.4	-91	-9.2	0	0	0	124.1
112	P	34.7	Very low	28.1	Very low	107 Å²	107	139.2 Å²	139.2	70%	0.695	72%	0.715	S	S	*	*			trans	-96.5	163.7	-167.3	38.7	-36.1	0	0	0	114.1
113	H	29.8	Very low	28.4	Very low	177 Å²	177	137.2 Å²	137.2	82%	0.819	71%	0.712	S	S	*	*			trans	-133.5	146.6	137.3	-145.5	-87.6	0	0	0	113
114	I	27.5	Very low	28.4	Very low	117 Å²	117	139.1 Å²	139.1	60%	0.6	72%	0.715	S	S	*	*			trans	-69	137.5	-179.3	-64.9	149.2	0	0	0	109.7
115	D	30.7	Very low	28.7	Very low	161 Å²	161	140.6 Å²	140.6	86%	0.861	72%	0.724	S	S	*	*				-146.8	154	124.9	-122.6	-35.4	0	0	0	113.3
116	T	26.7	Very low	28.7	Very low	86 Å²	86	139 Å²	139	53%	0.528	72%	0.721	S	S	.	*			trans	-133.3	133	-158.9	-62.6	0	0	0	0	112.9
117	F	30.3	Very low	28.8	Very low	214 Å²	214	135.2 Å²	135.2	94%	0.939	72%	0.717	S	S	*	*			trans	-152.3	129.7	142.3	-88	-63.3	0	0	0	112.7
118	K	30.3	Very low	28.9	Very low	124 Å²	124	135.5 Å²	135.5	54%	0.539	72%	0.724	S	S	.	*			trans	-76.2	160.4	168.6	-51.3	177.1	-172.4	174.7	0	108.7
119	S	27	Very low	28.7	Very low	62 Å²	62	131.8 Å²	131.8	43%	0.434	72%	0.718	S	S	.	*				174.1	163.5	56.6	43	0	0	0	0	108.6	N674	S119-N674 PolarHBondContact O-ND2 3.38Å; S119-N674 VanDerWaalsContact O-ND2 3.08Å; S119-N674 PolarHBondContact OG-ND2 3.37Å
120	E	27.8	Very low	28.9	Very low	68 Å²	68	132 Å²	132	32%	0.318	72%	0.719	S	S	.	*			cis	169.3	147.7	-13.7	-164.4	160.6	-88.9	0	0	105.9	N674 Y677	E120-N674 PolarHBondContact N-ND2 3.04Å; E120-N674 PolarHBondContact O-ND2 2.69Å; E120-Y677 WeakPolarHBondContact OE2-CE2 2.97Å
121	V	27	Very low	28.6	Very low	132 Å²	132	131.3 Å²	131.3	80%	0.8	71%	0.713	S	S	*	*			trans	-115.2	143	-176.3	174.9	0	0	0	0	111
122	I	28.7	Very low	28.7	Very low	143 Å²	143	130 Å²	130	73%	0.733	71%	0.706	S	S	*	*			trans	-164.5	156.6	157.2	-109	148.7	0	0	0	112.5
123	P	29.4	Very low	28.5	Very low	109 Å²	109	129.7 Å²	129.7	71%	0.708	70%	0.703	S	S	*	*			trans	-119.7	179.8	-157.4	42.9	-31.9	0	0	0	117.4
124	M	28	Very low	28.5	Very low	165 Å²	165	127.8 Å²	127.8	81%	0.813	70%	0.698	S	S	*	*			trans	7.4	135.5	163.3	-61.7	179.1	74.2	0	0	120.9
125	N	30.2	Very low	28.7	Very low	157 Å²	157	130 Å²	130	84%	0.84	71%	0.706	S	S	*	*				-165.7	172	117	-100.9	-25.8	0	0	0	115.1
126	T	28.1	Very low	28.8	Very low	108 Å²	108	126.8 Å²	126.8	66%	0.663	69%	0.693	S	S	*	*			trans	-88.1	154	-159.3	14.3	0	0	0	0	118
127	D	25.9	Very low	29	Very low	141 Å²	141	131.1 Å²	131.1	75%	0.754	70%	0.704	S	S	*	*			trans	63.9	161.7	138.4	-63.6	-22	0	0	0	124
128	V	29.3	Very low	29.2	Very low	143 Å²	143	127.9 Å²	127.9	87%	0.867	69%	0.693	S	S	*	*			trans	89.2	117.2	162	-164.6	0	0	0	0	117.9
129	S	25.6	Very low	29.4	Very low	102 Å²	102	130.6 Å²	130.6	71%	0.713	71%	0.705	S	S	*	*			trans	-82.5	142.4	178	52.8	0	0	0	0	115.5
130	T	30.3	Very low	29.7	Very low	134 Å²	134	134.3 Å²	134.3	82%	0.822	71%	0.714	S	S	*	*			trans	-171.3	121.7	136.9	28.1	0	0	0	0	106.6
131	E	26.8	Very low	29.9	Very low	157 Å²	157	134 Å²	134	73%	0.734	71%	0.714	S	S	*	*				80.4	125.1	63.8	-150.5	-164	-111.9	0	0	114
132	N	28.1	Very low	30.4	Very low	123 Å²	123	133.8 Å²	133.8	66%	0.658	70%	0.702	S	S	*	*			trans	72.8	147.8	171.7	-47.6	-55.1	0	0	0	118.2
133	T	31.1	Very low	30.6	Very low	101 Å²	101	129.8 Å²	129.8	62%	0.62	69%	0.685	S	S	*	*			cis	-162.5	177.8	-28.8	34.1	0	0	0	0	108.3
134	D	30.8	Very low	30.9	Very low	136 Å²	136	130.9 Å²	130.9	73%	0.727	68%	0.68	S	S	*	*			trans	75.9	145.3	155	-50.8	-44.2	0	0	0	118.4
135	E	31.1	Very low	31.2	Very low	164 Å²	164	129 Å²	129	77%	0.766	67%	0.671	S	S	*	*			cis	-154.2	137.9	-2.8	-130.8	-167.3	178.4	0	0	114.7
136	V	31.6	Very low	31.4	Very low	94 Å²	94	128.6 Å²	128.6	57%	0.57	66%	0.664	S	S	*	*			trans	43.4	116.3	135.6	170.7	0	0	0	0	122.8
137	K	32.7	Very low	31.6	Very low	176 Å²	176	129 Å²	129	77%	0.765	67%	0.666	S	S	*	*				-175.1	122.9	113.8	-105.1	132.6	-162.9	153.1	0	112.2
138	M	33.2	Very low	31.9	Very low	146 Å²	146	126.4 Å²	126.4	72%	0.719	66%	0.66	S	S	*	*				65.8	132.1	98.6	-71.6	-168.1	-178.5	0	0	115
139	K	34.1	Very low	32	Very low	182 Å²	182	127.3 Å²	127.3	79%	0.791	65%	0.654	S	S	*	*			cis	-164.2	176.7	20.6	-96.8	144.6	180	173.2	0	109.5
140	K	33.5	Very low	32.4	Very low	140 Å²	140	130.2 Å²	130.2	61%	0.609	66%	0.657	S	S	*	*			cis	178.4	127.8	-30.6	178.2	172.7	173.9	167.2	0	111
141	D	33.5	Very low	32.5	Very low	62 Å²	62	130 Å²	130	33%	0.332	65%	0.65	S	S	.	*			trans	70.1	160.8	156.3	-67.4	20.1	0	0	0	119.9	P657	D141-P657 VanDerWaalsContact CG-CA 3.47Å; D141-P657 WeakPolarHBondContact OD1-CA 3.42Å
142	K	36.7	Very low	32.6	Very low	126 Å²	126	129.9 Å²	129.9	55%	0.548	65%	0.649	S	S	.	*			cis	-172.3	161.7	7.9	-122.6	-178	-178.9	-172.1	0	110.2	P657 V658 Q659	K142-P657 WeakPolarHBondContact CE-O 3.42Å; K142-P657 WeakPolarHBondContact CG-O 3.34Å; K142-V658 VanDerWaalsContact CA-C 3.47Å; K142-Q659 CarbonylContact C-O 3.42Å; K142-Q659 PolarHBondContact N-O 3.01Å; K142-Q659 VanDerWaalsContact N-O 3.08Å; K142-Q659 VanDerWaalsContact O-O 3.09Å
143	T	33.7	Very low	32.7	Very low	59 Å²	59	131.4 Å²	131.4	36%	0.362	65%	0.652	S	S	.	*			cis	-153	-175.7	-4.8	-12.7	0	0	0	0	107.7	V658 Q659	T143-V658 HydrophobicContact CG2-CB 4.06Å; T143-V658 HydrophobicContact CG2-CG1 4.35Å; T143-Q659 PolarHBondContact O-OE1 3.49Å
144	H	34.2	Very low	32.7	Very low	132 Å²	132	133.5 Å²	133.5	61%	0.611	66%	0.66	S	S	*	*			cis	-162	161.8	21.2	-136.1	-162.2	0	0	0	110.3	Q659	H144-Q659 VanDerWaalsContact N-OE1 3.07Å; H144-Q659 PolarHBondContact O-OE1 3.3Å
145	M	34.4	Very low	32.5	Very low	126 Å²	126	131.9 Å²	131.9	62%	0.621	66%	0.659	S	S	*	*				42.2	135.2	104.1	-54.5	-83.7	-89.8	0	0	116.7
146	E	34.2	Very low	32.4	Very low	148 Å²	148	131.2 Å²	131.2	69%	0.692	66%	0.66	S	S	*	*			cis	-163.1	-178	9.4	-117.9	170.4	138.7	0	0	108.7
147	T	33.4	Very low	32.2	Very low	116 Å²	116	135.1 Å²	135.1	71%	0.712	67%	0.669	S	S	*	*			cis	-153.1	161.8	9.7	-13	0	0	0	0	113.4
148	S	30.9	Very low	32.1	Very low	88 Å²	88	133.6 Å²	133.6	62%	0.615	67%	0.67	S	S	*	*			trans	-34.4	168.7	148.2	-65.3	0	0	0	0	119.6
149	E	31.6	Very low	31.8	Very low	162 Å²	162	133.6 Å²	133.6	76%	0.757	67%	0.672	S	S	*	*			cis	-171.2	158.6	-7.9	-106.8	158.3	-126	0	0	110.2
150	Q	33.7	Very low	31.7	Very low	162 Å²	162	133.9 Å²	133.9	76%	0.757	68%	0.677	S	S	*	*				162.7	138.2	117.5	-87.6	-171.8	19	0	0	115.3
151	L	32.7	Very low	31.4	Very low	130 Å²	130	134.6 Å²	134.6	68%	0.681	69%	0.687	S	S	*	*			trans	46.4	114.7	143	-56.2	172.6	0	0	0	119.8
152	Q	28.7	Very low	31.3	Very low	154 Å²	154	139.3 Å²	139.3	72%	0.72	71%	0.711	S	S	*	*				97.9	139.8	55.3	-89.5	-162.3	20	0	0	115.3
153	Q	29.9	Very low	30.8	Very low	155 Å²	155	140.8 Å²	140.8	72%	0.724	72%	0.717	S	S	*	*			trans	81.7	154.1	160.7	-66.6	168	34.2	0	0	119.9
154	N	32.2	Very low	30.6	Very low	146 Å²	146	143.8 Å²	143.8	78%	0.781	74%	0.735	S	S	*	*			trans	64.7	104.6	177.9	-52.5	-28	0	0	0	115
155	S	27.5	Very low	30.2	Very low	102 Å²	102	144.1 Å²	144.1	71%	0.713	74%	0.737	S	S	*	*			cis	68	132	18.8	160.8	0	0	0	0	115.8
156	L	29	Very low	30	Very low	149 Å²	149	143.1 Å²	143.1	78%	0.78	74%	0.738	S	S	*	*			trans	83.7	114.2	176.6	-69.4	156.3	0	0	0	118.8
157	K	26.5	Very low	29.7	Very low	176 Å²	176	144.2 Å²	144.2	77%	0.765	74%	0.743	S	S	*	*			trans	30.5	123.4	139.7	-62.5	-179.7	-178.9	-176.5	0	120.1
158	N	30.6	Very low	29.5	Very low	145 Å²	145	145 Å²	145	78%	0.775	74%	0.742	S	S	*	*				-165.4	144.2	104.8	-84	-12.1	0	0	0	106.6
159	N	27.2	Very low	29.2	Very low	145 Å²	145	144.8 Å²	144.8	78%	0.775	74%	0.741	S	S	*	*			cis	71.8	72.3	14.5	-122	89.1	0	0	0	114.5
160	E	30.8	Very low	29.1	Very low	188 Å²	188	146.2 Å²	146.2	88%	0.879	75%	0.745	S	S	*	*			trans	-156.4	145.4	146.5	-120.3	160	-154.7	0	0	111
161	D	27.5	Very low	28.8	Very low	156 Å²	156	143.7 Å²	143.7	83%	0.834	74%	0.741	S	S	*	*			trans	-88.2	137.7	-174.6	-56.3	-89.4	0	0	0	111.8
162	I	31.9	Very low	28.6	Very low	161 Å²	161	146.3 Å²	146.3	83%	0.826	75%	0.747	S	S	*	*			trans	-128.7	119.8	154.5	-64.8	-175.9	0	0	0	108.3
163	K	27.2	Very low	28.6	Very low	157 Å²	157	146.6 Å²	146.6	68%	0.683	75%	0.753	S	S	*	*			trans	-62.1	138.8	166.5	-75.9	-176.9	166.5	-161	0	109.9	E165	K163-E165 WeakPolarHBondContact CE-OE1 3.48Å; K163-E165 IonicContact NZ-OE1 3.87Å; K163-E165 PolarHBondContact NZ-OE1 2.99Å; K163-E165 IonicContact NZ-OE2 2.66Å
164	T	29.1	Very low	28.5	Very low	121 Å²	121	144.9 Å²	144.9	74%	0.742	76%	0.758	S	S	*	*			trans	-128.6	99.8	144.8	-31	0	0	0	0	108.5	V166	T164-V166 HydrophobicContact CG2-CG2 3.98Å; T164-V166 PolarHBondContact O-N 3.22Å
165	E	25.8	Very low	28.8	Very low	139 Å²	139	143.4 Å²	143.4	65%	0.65	76%	0.757	S	S	*	*			trans	-67.1	120.1	162.9	-75.9	150.4	176.4	0	0	107.5	K163	K163-E165 WeakPolarHBondContact CE-OE1 3.48Å; K163-E165 IonicContact NZ-OE1 3.87Å; K163-E165 PolarHBondContact NZ-OE1 2.99Å; K163-E165 IonicContact NZ-OE2 2.66Å
166	V	30.8	Very low	28.9	Very low	106 Å²	106	146 Å²	146	64%	0.642	76%	0.763	S	S	*	*			trans	-127.7	69.6	167.4	-174.5	0	0	0	0	107.3	T164 L168	T164-V166 HydrophobicContact CG2-CG2 3.98Å; T164-V166 PolarHBondContact O-N 3.22Å; V166-L168 HydrophobicContact CG1-CD1 4.06Å; V166-L168 HydrophobicContact CG1-CG 3.85Å; V166-L168 PolarHBondContact O-N 2.91Å
167	E	26.3	Very low	28.8	Very low	170 Å²	170	146.1 Å²	146.1	79%	0.794	76%	0.763	S	S	*	*			trans	-66.6	112.3	153.2	-67.5	-175.9	124.5	0	0	107.1	S169	E167-S169 VanDerWaalsContact C-N 3.29Å; E167-S169 PolarHBondContact O-N 3.05Å
168	L	29.8	Very low	28.9	Very low	132 Å²	132	142.5 Å²	142.5	69%	0.691	76%	0.759	S	S	*	*			trans	-98.1	59.6	165.2	-81.5	173.2	0	0	0	110.2	V166 F170	V166-L168 HydrophobicContact CG1-CD1 4.06Å; V166-L168 HydrophobicContact CG1-CG 3.85Å; V166-L168 PolarHBondContact O-N 2.91Å; L168-F170 VanDerWaalsContact C-N 3.26Å; L168-F170 HydrophobicContact CD2-CD2 4.14Å; L168-F170 HydrophobicContact CD2-CE2 3.81Å; L168-F170 PolarHBondContact O-N 2.97Å
169	S	24.8	Very low	28.6	Very low	85 Å²	85	141.5 Å²	141.5	59%	0.594	76%	0.759	S	S	*	*			trans	-72.1	78.4	165.7	56	0	0	0	0	110.3	E167 T171	E167-S169 VanDerWaalsContact C-N 3.29Å; E167-S169 PolarHBondContact O-N 3.05Å; S169-T171 VanDerWaalsContact C-N 3.27Å; S169-T171 PolarHBondContact O-N 3.39Å
170	F	29.6	Very low	28.6	Very low	191 Å²	191	145 Å²	145	84%	0.838	76%	0.761	S	S	*	*			trans	-77.9	77.9	169.9	-94.7	-65	0	0	0	111	L168	L168-F170 VanDerWaalsContact C-N 3.26Å; L168-F170 HydrophobicContact CD2-CD2 4.14Å; L168-F170 HydrophobicContact CD2-CE2 3.81Å; L168-F170 PolarHBondContact O-N 2.97Å
171	T	26.3	Very low	28.5	Very low	109 Å²	109	142.2 Å²	142.2	67%	0.669	75%	0.752	S	S	*	*			trans	-99.4	139.2	167.9	57.2	0	0	0	0	111.1	S169	S169-T171 VanDerWaalsContact C-N 3.27Å; S169-T171 PolarHBondContact O-N 3.39Å
172	K	28.5	Very low	28.6	Very low	186 Å²	186	141.9 Å²	141.9	81%	0.809	75%	0.751	S	S	*	*			trans	73.3	127	178.9	-48.6	176.2	-177	-179.6	0	112.5
173	N	30	Very low	28.5	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	74%	0.743	S	S	*	*				-128.3	167.5	56.6	-74.4	-28.1	0	0	0	115.2
174	S	26.9	Very low	28.8	Very low	118 Å²	118	135.9 Å²	135.9	83%	0.825	74%	0.743	S	S	*	*			trans	-123.2	173.8	176.6	-123	0	0	0	0	110
175	P	37.9	Very low	28.8	Very low	116 Å²	116	136.7 Å²	136.7	75%	0.753	74%	0.741	S	S	*	*			trans	-86.6	167.6	-149.1	36.1	-39.3	0	0	0	114.2
176	D	29.6	Very low	29.2	Very low	157 Å²	157	136.3 Å²	136.3	84%	0.84	74%	0.743	S	S	*	*			trans	-152	171.7	135.8	-137.1	-28.9	0	0	0	113.6
177	I	28.1	Very low	29.4	Very low	151 Å²	151	139.1 Å²	139.1	77%	0.774	75%	0.75	S	S	*	*			trans	-102	134.8	-168	-60.4	163	0	0	0	110.7
178	S	27.5	Very low	29.7	Very low	100 Å²	100	135.4 Å²	135.4	70%	0.699	74%	0.742	S	S	*	*			trans	175.4	124.7	131	58.2	0	0	0	0	115.9
179	T	25.7	Very low	29.8	Very low	124 Å²	124	135.6 Å²	135.6	76%	0.761	74%	0.744	S	S	*	*			trans	29.9	145.3	136.9	66	0	0	0	0	124.2
180	R	27	Very low	30.3	Very low	217 Å²	217	139 Å²	139	82%	0.819	75%	0.75	S	S	*	*			trans	96.7	99.1	135.3	-93.6	177.2	171.5	167.6	-1.2	121.3
181	N	27.9	Very low	30.4	Very low	130 Å²	130	135.4 Å²	135.4	70%	0.695	74%	0.74	S	S	*	*				70.9	143.3	112.4	-73.6	39.8	0	0	0	122.9
182	N	29.8	Very low	30.6	Very low	150 Å²	150	139.2 Å²	139.2	80%	0.802	74%	0.744	S	S	*	*			trans	72.1	145.2	159.5	-55.8	-10.5	0	0	0	115.8
183	S	29.4	Very low	30.6	Very low	95 Å²	95	136.8 Å²	136.8	66%	0.664	74%	0.738	S	S	*	*			cis	-158.1	163.9	-16.1	53.1	0	0	0	0	107
184	S	34.6	Very low	30.5	Very low	97 Å²	97	134.9 Å²	134.9	68%	0.678	73%	0.732	S	S	*	*				179.5	126.6	72.8	-70.7	0	0	0	0	107.9
185	I	29.1	Very low	30.6	Very low	138 Å²	138	132.9 Å²	132.9	71%	0.708	72%	0.723	S	S	*	*				66.8	103.4	91	-59.6	163.3	0	0	0	114.8
186	N	34.5	Very low	30.1	Very low	130 Å²	130	134.7 Å²	134.7	70%	0.695	72%	0.721	S	S	*	*				-166.6	118.9	122.1	-91.3	-26.6	0	0	0	107.6
187	Q	33.2	Very low	30.1	Very low	166 Å²	166	134 Å²	134	78%	0.776	71%	0.712	S	S	*	*				71	130.4	87.8	-71.3	-177.2	29.4	0	0	112.8
188	S	34.6	Very low	30.1	Very low	92 Å²	92	134.5 Å²	134.5	64%	0.643	71%	0.712	S	S	*	*			cis	-168.7	153.7	4.3	48.9	0	0	0	0	112.8
189	N	30.8	Very low	30.1	Very low	136 Å²	136	134.3 Å²	134.3	73%	0.727	71%	0.71	S	S	*	*			trans	67.8	156.7	150.6	-69.3	23.9	0	0	0	116.8
190	E	35.2	Very low	30.2	Very low	156 Å²	156	134.2 Å²	134.2	73%	0.729	71%	0.709	S	S	*	*			cis	-163.7	164.3	1.3	-112.1	163	-119.8	0	0	106.3
191	N	31.4	Very low	30.3	Very low	115 Å²	115	128.8 Å²	128.8	62%	0.615	70%	0.7	S	S	*	*			cis	-171.3	175.8	-24.7	-137.1	-17.2	0	0	0	109.8
192	Y	31.2	Very low	30.5	Very low	190 Å²	190	129.5 Å²	129.5	75%	0.745	70%	0.704	S	S	*	*			trans	66.7	130.7	174.6	-62.9	-84.9	0	0	0	117.1
193	I	29	Very low	30.5	Very low	135 Å²	135	128 Å²	128	69%	0.692	70%	0.696	S	S	*	*			cis	85	137.5	33.9	-62.3	164.7	0	0	0	112.8
194	T	27.9	Very low	30.9	Very low	120 Å²	120	129.1 Å²	129.1	74%	0.736	69%	0.694	S	S	*	*			cis	-176.9	149.6	-20.9	-80.1	0	0	0	0	107.7
195	A	27.6	Very low	30.9	Very low	76 Å²	76	131.2 Å²	131.2	63%	0.628	69%	0.691	S	S	*	*			trans	69.7	170	159.3	0	0	0	0	0	121
196	H	29	Very low	31.5	Very low	154 Å²	154	131.4 Å²	131.4	71%	0.713	69%	0.694	S	S	*	*			trans	68.6	140.9	171.8	-66.1	-83.3	0	0	0	117.5
197	E	27.9	Very low	31.7	Very low	141 Å²	141	131.2 Å²	131.2	66%	0.659	69%	0.693	S	S	*	*			cis	-164.1	-169	-23.1	-149.4	153	-142.2	0	0	109.5
198	E	28.2	Very low	32	Very low	163 Å²	163	129.4 Å²	129.4	76%	0.762	69%	0.688	S	S	*	*			trans	4.1	145.3	141.7	-80.9	177.1	-165.5	0	0	119.9
199	S	27.9	Very low	32.3	Very low	96 Å²	96	130.7 Å²	130.7	67%	0.671	68%	0.682	S	S	*	*			cis	-178.6	171.6	11.8	48.3	0	0	0	0	114.5
200	V	27.6	Very low	32.7	Very low	122 Å²	122	131 Å²	131	74%	0.739	68%	0.684	S	S	*	*			trans	66	107.9	135.1	165.1	0	0	0	0	122
201	V	28.5	Very low	32.7	Very low	103 Å²	103	128.4 Å²	128.4	62%	0.624	68%	0.683	S	S	*	*				53.9	121.4	127.1	-171.7	0	0	0	0	121
202	N	33.1	Very low	33.1	Very low	144 Å²	144	128.1 Å²	128.1	77%	0.77	69%	0.688	S	S	*	*				160.7	151.2	125	-89.5	-65.2	0	0	0	107.8
203	N	30.1	Very low	33.3	Very low	118 Å²	118	127.6 Å²	127.6	63%	0.631	69%	0.689	S	S	*	*			cis	170.6	167.7	-25.3	-113.3	-34.9	0	0	0	104.9
204	D	36.6	Very low	33.6	Very low	119 Å²	119	129.1 Å²	129.1	64%	0.636	69%	0.693	S	S	*	*			trans	74.2	138.1	163.6	-66.8	8.6	0	0	0	119.9
205	K	36.5	Very low	33.9	Very low	142 Å²	142	128.1 Å²	128.1	62%	0.617	69%	0.689	S	S	*	*			cis	-167.8	153.1	-13.1	-116.8	176.8	-177	78.2	0	111.7
206	D	40.2	Very low	34.2	Very low	141 Å²	141	133.2 Å²	133.2	75%	0.754	70%	0.699	S	S	*	*			trans	53.6	155.3	144.9	-50.4	-20.9	0	0	0	121
207	D	38.8	Very low	34.2	Very low	127 Å²	127	137.7 Å²	137.7	68%	0.679	71%	0.71	S	S	*	*			cis	-151.7	150.2	-4.3	176.8	94.4	0	0	0	105.9	K209	D207-K209 IonicContact OD1-NZ 2.71Å; D207-K209 PolarHBondContact OD1-NZ 3.17Å; D207-K209 IonicContact OD2-NZ 3.13Å; D207-K209 PolarHBondContact OD2-NZ 2.87Å
208	D	39.6	Very low	34.5	Very low	128 Å²	128	136.1 Å²	136.1	68%	0.684	71%	0.712	S	S	*	*			cis	178	-159.4	-18.9	175.2	24	0	0	0	105.6
209	K	40.6	Very low	35.4	Very low	118 Å²	118	134.2 Å²	134.2	51%	0.513	71%	0.714	S	S	.	*			trans	79.9	89.4	151.8	-68.8	157.8	-163.7	69.7	0	119.1	D207	D207-K209 IonicContact OD1-NZ 2.71Å; D207-K209 PolarHBondContact OD1-NZ 3.17Å; D207-K209 IonicContact OD2-NZ 3.13Å; D207-K209 PolarHBondContact OD2-NZ 2.87Å
210	N	39.3	Very low	35.9	Very low	143 Å²	143	135.5 Å²	135.5	77%	0.765	72%	0.719	S	S	*	*				84.7	138.8	126.4	-69.1	-46.1	0	0	0	120.4
211	S	36.5	Very low	36.2	Very low	102 Å²	102	135.7 Å²	135.7	71%	0.713	72%	0.723	S	S	*	*			cis	-161.1	162.3	-17.5	-120.5	0	0	0	0	111.1
212	P	38.8	Very low	36.5	Very low	109 Å²	109	140.2 Å²	140.2	71%	0.708	74%	0.735	S	S	*	*			trans	-115.3	-170.7	-156.2	43	-35.9	0	0	0	116.4
213	K	35.6	Very low	36.5	Very low	179 Å²	179	141.7 Å²	141.7	78%	0.778	74%	0.742	S	S	*	*			trans	123.4	145.3	161.5	-68.7	167.4	-178	173.2	0	112.8
214	H	34.2	Very low	36.5	Very low	166 Å²	166	140.5 Å²	140.5	77%	0.769	74%	0.743	S	S	*	*			cis	-158.8	168.5	-11.4	-109.8	-36.2	0	0	0	110.1
215	P	35	Very low	36.2	Very low	100 Å²	100	142.8 Å²	142.8	65%	0.649	75%	0.749	S	S	*	*			trans	-104.9	171.7	-169	40.8	-37.3	0	0	0	117
216	H	34.7	Very low	35.8	Very low	182 Å²	182	141.3 Å²	141.3	84%	0.843	75%	0.752	S	S	*	*			trans	34.2	124.4	156.2	-70.2	-69.2	0	0	0	121.7
217	R	28.2	Very low	35.3	Very low	249 Å²	249	142.7 Å²	142.7	94%	0.94	75%	0.752	S	S	*	*			trans	-159.2	163.7	136.8	-99.9	-136.7	161.7	160.5	-5.2	114.7
218	P	34.9	Very low	35.1	Very low	108 Å²	108	143.7 Å²	143.7	70%	0.701	75%	0.752	S	S	*	*			trans	-92.7	179.2	-170.2	-4.8	27.2	0	0	0	115.2
219	P	46.5	Very low	34.6	Very low	123 Å²	123	143.6 Å²	143.6	80%	0.799	76%	0.756	S	S	*	*			trans	-86.4	159.7	-169.1	35.2	-37.3	0	0	0	115.8
220	P	39	Very low	34.3	Very low	122 Å²	122	143.4 Å²	143.4	79%	0.792	77%	0.769	S	S	*	*			trans	-100.2	164.1	172.1	38.1	-33	0	0	0	114.3
221	P	34	Very low	34.1	Very low	127 Å²	127	140.2 Å²	140.2	83%	0.825	77%	0.77	S	S	*	*			trans	-101.5	178	-169.7	40.2	-37.5	0	0	0	115.8
222	K	35.1	Very low	34	Very low	198 Å²	198	140.3 Å²	140.3	86%	0.861	77%	0.771	S	S	*	*			trans	-60.7	144.5	171.5	-57.6	175.3	-179.1	177.7	0	112.8
223	L	32.9	Very low	33.9	Very low	175 Å²	175	142.8 Å²	142.8	92%	0.916	78%	0.778	S	S	*	*			trans	-154.6	-178.3	136.3	-138.8	75	0	0	0	111
224	S	29.3	Very low	33.7	Very low	93 Å²	93	138.1 Å²	138.1	65%	0.65	77%	0.768	S	S	*	*			trans	-139.9	171.5	-161.9	56	0	0	0	0	114.2
225	Q	30.8	Very low	33.7	Very low	167 Å²	167	140.4 Å²	140.4	78%	0.78	77%	0.771	S	S	*	*			trans	94.5	141.1	161.1	-55.4	-164.9	4.3	0	0	121.2
226	T	28.4	Very low	33.5	Very low	111 Å²	111	140.7 Å²	140.7	68%	0.681	78%	0.775	S	S	*	*			trans	78	96.8	143.5	40.7	0	0	0	0	123.6
227	K	29.3	Very low	33.4	Very low	170 Å²	170	135.8 Å²	135.8	74%	0.739	77%	0.774	S	S	*	*				82.7	150.4	108.6	-94.2	-178.3	163.3	-167.4	0	122.7
228	H	34.3	Very low	33.6	Very low	147 Å²	147	127.3 Å²	127.3	68%	0.681	76%	0.764	S	S	*	*			trans	79.8	107.1	158	-72.5	-55.5	0	0	0	118.6
229	T	28.8	Very low	33.4	Very low	127 Å²	127	130.6 Å²	130.6	78%	0.779	77%	0.77	S	S	*	*				69.6	144.2	103.3	12.5	0	0	0	0	115.1
230	S	35.7	Very low	32.7	Very low	113 Å²	113	130.5 Å²	130.5	79%	0.79	76%	0.763	S	S	*	*			cis	-167.4	159	22	49.7	0	0	0	0	114.6
231	G	34.2	Very low	32.3	Very low	76 Å²	76	131.6 Å²	131.6	78%	0.784	76%	0.762	S	S	*	*			trans	96.1	152.5	156.7	0	0	0	0	0	116.6
232	S	34.8	Very low	32.5	Very low	105 Å²	105	133.7 Å²	133.7	73%	0.734	76%	0.761	S	S	*	*			cis	-166.5	162.4	-4.8	56.4	0	0	0	0	113.4
233	L	35.7	Very low	32.5	Very low	160 Å²	160	130.3 Å²	130.3	84%	0.838	75%	0.752	S	S	*	*			trans	91.8	138.5	162.5	-56.2	160.9	0	0	0	118.3
234	S	31.4	Very low	32.4	Very low	82 Å²	82	127.5 Å²	127.5	57%	0.573	74%	0.742	S	S	*	*			cis	-177	162.8	-31.3	45.1	0	0	0	0	111.6
235	Y	34.8	Very low	32.7	Very low	214 Å²	214	127.7 Å²	127.7	84%	0.839	74%	0.743	S	S	*	*			trans	68.4	121.9	177.6	-70	-102.9	0	0	0	115
236	S	30.8	Very low	33.1	Very low	105 Å²	105	128.2 Å²	128.2	73%	0.734	74%	0.743	S	S	*	*			cis	83.9	136.7	38.8	79.1	0	0	0	0	114.4
237	G	32.3	Very low	33.4	Very low	80 Å²	80	129.1 Å²	129.1	83%	0.825	74%	0.744	S	S	*	*			cis	177.6	-168	2.6	0	0	0	0	0	111.7
238	G	32.2	Very low	33.9	Very low	71 Å²	71	126.3 Å²	126.3	73%	0.732	74%	0.737	S	S	*	*			trans	104.3	131.1	-175.9	0	0	0	0	0	112
239	E	32	Very low	34	Very low	176 Å²	176	125.8 Å²	125.8	82%	0.822	74%	0.739	S	S	*	*			cis	68.9	137.5	37.2	-55.2	-170.6	167.3	0	0	113.9
240	N	31.1	Very low	34.4	Very low	122 Å²	122	123.7 Å²	123.7	65%	0.652	73%	0.73	S	S	*	*			cis	-161.5	174.2	-15.1	-102.4	-20.9	0	0	0	108.5
241	D	31.3	Very low	34.3	Very low	144 Å²	144	126.6 Å²	126.6	77%	0.77	73%	0.731	S	S	*	*			trans	37.8	129.2	155	-56.5	-40.4	0	0	0	122.1
242	E	36.3	Very low	34.4	Very low	171 Å²	171	128.9 Å²	128.9	80%	0.799	72%	0.724	S	S	*	*				-171.8	131.3	103.5	-99.5	-160	137	0	0	115.5
243	L	36.5	Very low	34.5	Very low	127 Å²	127	129.5 Å²	129.5	67%	0.665	72%	0.719	S	S	*	*			trans	46.3	103.5	137.2	-61.1	177.7	0	0	0	122.8
244	T	30.2	Very low	34.5	Very low	117 Å²	117	127.9 Å²	127.9	72%	0.718	71%	0.711	S	S	*	*				37.8	135.6	117.6	66.2	0	0	0	0	120.1
245	S	36.7	Very low	34.6	Very low	96 Å²	96	129.7 Å²	129.7	67%	0.671	71%	0.714	S	S	*	*				178	157.5	69.4	49.6	0	0	0	0	114.9
246	K	38.5	Very low	34.6	Very low	178 Å²	178	125.5 Å²	125.5	77%	0.774	71%	0.706	S	S	*	*			trans	66.5	109.9	148.6	-76.5	166.6	-175.7	175.4	0	118.2
247	N	34.9	Very low	34.7	Very low	130 Å²	130	126.2 Å²	126.2	70%	0.695	70%	0.702	S	S	*	*				91.4	144.1	85.7	-85.1	44.8	0	0	0	111.2
248	D	38.4	Very low	34.7	Very low	111 Å²	111	132 Å²	132	59%	0.594	70%	0.7	S	S	*	*			cis	-146.5	152.4	7.5	-106.9	-46.4	0	0	0	111.2
249	N	37.2	Very low	34.5	Very low	137 Å²	137	136.1 Å²	136.1	73%	0.733	70%	0.701	S	S	*	*			trans	41.6	139.7	138.7	-58.6	-31.4	0	0	0	121.9
250	S	38	Very low	34.6	Very low	83 Å²	83	134.8 Å²	134.8	58%	0.58	71%	0.705	S	S	*	*			cis	-178.8	145.3	-0.6	45.5	0	0	0	0	111.6
251	Q	33.9	Very low	34.6	Very low	173 Å²	173	136.4 Å²	136.4	81%	0.808	71%	0.713	S	S	*	*			trans	63.3	163.5	141.2	-70.5	-179.5	-40.5	0	0	117
252	I	36.1	Very low	34.8	Very low	125 Å²	125	134.1 Å²	134.1	64%	0.641	71%	0.706	S	S	*	*			cis	-165	150.4	-9.3	-111.6	166.8	0	0	0	103.1
253	D	36.3	Very low	34.5	Very low	118 Å²	118	134.9 Å²	134.9	63%	0.631	71%	0.707	S	S	*	*			cis	-172.9	164.9	-10.5	-121.4	10.9	0	0	0	106.4
254	N	36.1	Very low	34.3	Very low	126 Å²	126	135.2 Å²	135.2	67%	0.674	71%	0.714	S	S	*	*			trans	55.2	155.2	145.5	-70.8	-48.8	0	0	0	121.9
255	N	33.7	Very low	34.3	Very low	119 Å²	119	134.1 Å²	134.1	64%	0.636	71%	0.712	S	S	*	*			cis	-165.1	165.8	-39.7	-137.4	-33.9	0	0	0	109.4
256	N	35.2	Very low	34.1	Very low	127 Å²	127	136.4 Å²	136.4	68%	0.679	72%	0.715	S	S	*	*			trans	60.2	118.3	158.1	-58.5	-33.5	0	0	0	120.6
257	N	31	Very low	33.7	Very low	119 Å²	119	132 Å²	132	64%	0.636	70%	0.696	S	S	*	*				16.5	138.4	119	-48	-6.7	0	0	0	117.3
258	Y	32.3	Very low	33.6	Very low	201 Å²	201	134.5 Å²	134.5	79%	0.788	70%	0.704	S	S	*	*				-151	179.1	52.6	-98.8	-85.2	0	0	0	114.4
259	E	29.2	Very low	33.3	Very low	159 Å²	159	135.5 Å²	135.5	74%	0.743	71%	0.705	S	S	*	*			trans	-62.6	143.6	-177	-58.4	142.7	97.3	0	0	114.5
260	T	34.2	Very low	33.1	Very low	148 Å²	148	138.2 Å²	138.2	91%	0.908	71%	0.713	S	S	*	*				-168.9	152.3	116	16.5	0	0	0	0	113.2
261	N	29.8	Very low	32.7	Very low	155 Å²	155	141.3 Å²	141.3	83%	0.829	72%	0.723	S	S	*	*			trans	-95.6	171.2	178.8	-103.8	-39.2	0	0	0	110.4
262	P	35.9	Very low	32.5	Very low	97 Å²	97	139.8 Å²	139.8	63%	0.63	72%	0.721	S	S	*	*				-139.8	-167.4	-52.5	33.7	-12.6	0	0	0	113.3
263	K	30.3	Very low	32.3	Very low	187 Å²	187	142.5 Å²	142.5	81%	0.813	73%	0.73	S	S	*	*			trans	101.1	152.6	159.7	-57.8	173.2	179.6	172	0	117.9
264	T	32.9	Very low	32.1	Very low	133 Å²	133	146 Å²	146	82%	0.816	74%	0.743	S	S	*	*			trans	62.1	150.8	171.9	63.8	0	0	0	0	117.7
265	S	30.2	Very low	31.9	Very low	95 Å²	95	149 Å²	149	66%	0.664	75%	0.75	S	S	*	*			cis	-166.7	162.5	-25.3	-94.3	0	0	0	0	110
266	L	33	Very low	31.8	Very low	143 Å²	143	148.1 Å²	148.1	75%	0.749	75%	0.751	S	S	*	*			trans	65.8	170.8	173.3	-82	67.3	0	0	0	117.2
267	K	29	Very low	31.7	Very low	85 Å²	85	150.4 Å²	150.4	37%	0.37	76%	0.757	S	S	.	*			cis	175.2	95	-48.3	-173.3	-179.7	-146.1	165.6	0	110.1	N375 E376	K267-N375 PolarHBondContact NZ-O 2.63Å; K267-N375 VanDerWaalsContact NZ-O 3.11Å; K267-E376 WeakPolarHBondContact CE-OE2 3.45Å; K267-E376 PolarHBondContact NZ-O 2.91Å
268	Q	33.7	Very low	31.7	Very low	184 Å²	184	154.9 Å²	154.9	86%	0.86	77%	0.767	S	S	*	*			trans	-174.8	110.8	158.4	-104	156.4	27.7	0	0	107
269	Q	31	Very low	31.9	Very low	131 Å²	131	154.2 Å²	154.2	61%	0.612	77%	0.768	S	S	*	*				65.5	95.5	77.3	-73.2	-162.1	-13.7	0	0	115.2	N375	Q269-N375 PolarHBondContact NE2-ND2 3.02Å
270	Q	33	Very low	32	Very low	195 Å²	195	157.9 Å²	157.9	91%	0.911	78%	0.775	S	S	*	*				-159	159.2	118.9	-105.5	168.3	19.7	0	0	110.6
271	N	30	Very low	32	Very low	147 Å²	147	155 Å²	155	79%	0.786	76%	0.759	S	S	*	*			trans	-78.7	171.8	-178.4	-64.1	-8.1	0	0	0	110.3
272	D	30.9	Very low	32.6	Very low	141 Å²	141	151 Å²	151	75%	0.754	74%	0.743	S	S	*	*			cis	-158.2	176	32.2	-133.5	-51.6	0	0	0	114.4
273	Q	31	Very low	32.6	Very low	182 Å²	182	151.4 Å²	151.4	85%	0.85	74%	0.738	S	S	*	*			trans	62.7	92.6	174.3	-55.1	-170.9	28.1	0	0	118.2
274	Q	31.9	Very low	33.1	Very low	192 Å²	192	149.4 Å²	149.4	90%	0.897	73%	0.729	S	S	*	*			trans	-122.4	133.1	157.8	-73.9	-170	-8.2	0	0	111.8
275	K	32.4	Very low	33.6	Very low	189 Å²	189	145.5 Å²	145.5	82%	0.822	71%	0.707	S	S	*	*			trans	-69	137.1	168.4	-72.3	-176.5	176.4	-177.9	0	109.7	Q277	K275-Q277 PolarHBondContact O-N 2.81Å; K275-Q277 VanDerWaalsContact O-N 3.09Å
276	P	30.4	Very low	34.3	Very low	100 Å²	100	145.2 Å²	145.2	65%	0.649	70%	0.698	S	S	*	*			trans	-70.9	105.9	-179.1	27.7	-34.2	0	0	0	111.9	Y278	P276-Y278 HydrophobicContact CB-CE2 4.28Å; P276-Y278 HydrophobicContact CG-CE2 4.22Å; P276-Y278 WeakPolarHBondContact O-CD2 3.5Å; P276-Y278 PolarHBondContact O-N 3.06Å; P276-Y278 VanDerWaalsContact O-N 3.13Å
277	Q	34.4	Very low	35.1	Very low	175 Å²	175	141.1 Å²	141.1	82%	0.818	68%	0.676	S	S	*	*			trans	-78.9	93.7	177.7	-166.4	-174.6	57.7	0	0	111	K275 K279	K275-Q277 PolarHBondContact O-N 2.81Å; K275-Q277 VanDerWaalsContact O-N 3.09Å; Q277-K279 PolarHBondContact O-N 2.78Å
278	Y	29.8	Very low	36.1	Very low	213 Å²	213	144.3 Å²	144.3	84%	0.835	69%	0.69	S	S	*	*			trans	-66.9	97.2	178.3	-76	-86.7	0	0	0	112.5	P276 R280	P276-Y278 HydrophobicContact CB-CE2 4.28Å; P276-Y278 HydrophobicContact CG-CE2 4.22Å; P276-Y278 WeakPolarHBondContact O-CD2 3.5Å; P276-Y278 PolarHBondContact O-N 3.06Å; P276-Y278 VanDerWaalsContact O-N 3.13Å; Y278-R280 PolarHBondContact O-N 3.42Å
279	K	37	Very low	36.9	Very low	187 Å²	187	140.8 Å²	140.8	81%	0.813	67%	0.674	S	S	*	*			trans	-63.1	115.7	165.8	-77.9	-176.3	174.7	177.5	0	110	Q277	Q277-K279 PolarHBondContact O-N 2.78Å
280	R	31.3	Very low	37.7	Very low	236 Å²	236	138.7 Å²	138.7	89%	0.891	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-57.1	132.8	170.1	-78.9	-176.7	171.2	179.3	-2.4	110	Y278	Y278-R280 PolarHBondContact O-N 3.42Å
281	P	34.4	Very low	38.5	Very low	87 Å²	87	131.3 Å²	131.3	57%	0.565	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-59.3	139.9	169.1	-22.5	33.6	0	0	0	111	S285 N286	P281-S285 WeakPolarHBondContact CB-OG 3.11Å; P281-N286 WeakPolarHBondContact CB-OD1 3.38Å
282	S	41.8	Very low	39.5	Very low	71 Å²	71	126.8 Å²	126.8	50%	0.497	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-73.9	154.3	175.7	71.8	0	0	0	0	110.9	K284 S285 N286	S282-K284 PolarHBondContact O-N 2.72Å; S282-S285 PolarHBondContact N-OG 3.21Å; S282-S285 WeakPolarHBondContact O-CA 3.45Å; S282-S285 PolarHBondContact O-N 2.76Å; S282-S285 PolarHBondContact O-OG 3.4Å; S282-S285 PolarHBondContact OG-N 2.86Å; S282-N286 PolarHBondContact O-N 3.17Å
283	M	35.5	Very low	40.3	Very low	106 Å²	106	124 Å²	124	52%	0.522	60%	0.597	S	S	.	*	H	α-helix	trans	-54.7	-39.3	175.1	-75.5	-167.4	81.8	0	0	111.9	S285 N286 I287	M283-S285 VanDerWaalsContact C-N 3.28Å; M283-S285 PolarHBondContact O-N 3.4Å; M283-N286 PolarHBondContact O-N 3.14Å; M283-I287 HydrophobicContact CE-CD1 4.47Å; M283-I287 WeakPolarHBondContact O-CB 3.45Å; M283-I287 WeakPolarHBondContact O-CG1 3.15Å; M283-I287 PolarHBondContact O-N 3.21Å
284	K	42.2	Very low	41.1	Very low	146 Å²	146	117.5 Å²	117.5	64%	0.635	57%	0.568	S	S	*	*	H	α-helix	trans	-58.3	-38.9	175.4	-69.7	-171.2	176.9	-175.7	0	111.4	S282 K288	S282-K284 PolarHBondContact O-N 2.72Å; K284-K288 WeakPolarHBondContact O-CB 3.11Å; K284-K288 PolarHBondContact O-N 3.09Å; K284-K288 VanDerWaalsContact O-N 3.17Å
285	S	42.8	Very low	41.7	Very low	51 Å²	51	114.8 Å²	114.8	36%	0.357	55%	0.55	S	S	.	.	H	α-helix	trans	-70.4	-41.8	174.1	61.4	0	0	0	0	113.3	P281 S282 M283 K288 H289	P281-S285 WeakPolarHBondContact CB-OG 3.11Å; S282-S285 PolarHBondContact N-OG 3.21Å; S282-S285 WeakPolarHBondContact O-CA 3.45Å; S282-S285 PolarHBondContact O-N 2.76Å; S282-S285 PolarHBondContact O-OG 3.4Å; S282-S285 PolarHBondContact OG-N 2.86Å; M283-S285 VanDerWaalsContact C-N 3.28Å; M283-S285 PolarHBondContact O-N 3.4Å; S285-K288 PolarHBondContact O-N 3.11Å; S285-H289 VanDerWaalsContact O-CB 3.24Å; S285-H289 WeakPolarHBondContact O-CB 3.4Å; S285-H289 PolarHBondContact O-N 2.8Å
286	N	44.9	Very low	42.4	Very low	89 Å²	89	112.1 Å²	112.1	48%	0.476	54%	0.538	S	S	.	.	H	α-helix	trans	-66.9	-47.3	-179.4	-80	-0	0	0	0	112	P281 S282 M283 K288 H289 V290	P281-N286 WeakPolarHBondContact CB-OD1 3.38Å; S282-N286 PolarHBondContact O-N 3.17Å; M283-N286 PolarHBondContact O-N 3.14Å; N286-K288 PolarHBondContact O-N 3.22Å; N286-H289 PolarHBondContact O-N 2.75Å; N286-H289 VanDerWaalsContact O-N 3.09Å; N286-V290 WeakPolarHBondContact O-CG2 3.24Å; N286-V290 PolarHBondContact O-N 2.85Å
287	I	50.1	Low	43.1	Very low	56 Å²	56	111.4 Å²	111.4	29%	0.287	54%	0.536	S	S	.	.	H	α-helix	trans	-59.1	-48.4	176.6	-67.1	169.4	0	0	0	109.9	M283 H289 V290 F291	M283-I287 HydrophobicContact CE-CD1 4.47Å; M283-I287 WeakPolarHBondContact O-CB 3.45Å; M283-I287 WeakPolarHBondContact O-CG1 3.15Å; M283-I287 PolarHBondContact O-N 3.21Å; I287-H289 VanDerWaalsContact C-N 3.27Å; I287-H289 PolarHBondContact O-N 3.46Å; I287-V290 PolarHBondContact O-N 2.88Å; I287-F291 HydrophobicContact CG2-CD2 3.73Å; I287-F291 HydrophobicContact CG2-CE2 3.78Å; I287-F291 WeakPolarHBondContact O-CD2 3.48Å; I287-F291 PolarHBondContact O-N 3.19Å
288	K	50.7	Low	43.3	Very low	152 Å²	152	107.9 Å²	107.9	66%	0.661	52%	0.518	S	S	*	.	H	α-helix	trans	-62.2	-33.2	176.1	-168.5	167.8	-174.6	170.3	0	112.2	K284 S285 N286 T292	K284-K288 WeakPolarHBondContact O-CB 3.11Å; K284-K288 PolarHBondContact O-N 3.09Å; K284-K288 VanDerWaalsContact O-N 3.17Å; S285-K288 PolarHBondContact O-N 3.11Å; N286-K288 PolarHBondContact O-N 3.22Å; K288-T292 WeakPolarHBondContact O-CA 3.46Å; K288-T292 WeakPolarHBondContact O-CB 3.2Å; K288-T292 PolarHBondContact O-N 3.05Å; K288-T292 PolarHBondContact O-OG1 3.48Å
289	H	49.1	Very low	43.9	Very low	111 Å²	111	105.5 Å²	105.5	51%	0.514	51%	0.512	S	S	.	.	H	α-helix	trans	-74.7	-35	177.5	-158.6	-46.3	0	0	0	112.6	S285 N286 I287 N293	S285-H289 VanDerWaalsContact O-CB 3.24Å; S285-H289 WeakPolarHBondContact O-CB 3.4Å; S285-H289 PolarHBondContact O-N 2.8Å; N286-H289 PolarHBondContact O-N 2.75Å; N286-H289 VanDerWaalsContact O-N 3.09Å; I287-H289 VanDerWaalsContact C-N 3.27Å; I287-H289 PolarHBondContact O-N 3.46Å; H289-N293 PolarHBondContact CE1-ND2 3.41Å; H289-N293 PolarHBondContact CE1-OD1 3.22Å; H289-N293 PolarHBondContact ND1-ND2 2.93Å; H289-N293 VanDerWaalsContact ND1-ND2 3.17Å; H289-N293 PolarHBondContact ND1-OD1 3.45Å; H289-N293 VanDerWaalsContact O-CB 3.26Å; H289-N293 WeakPolarHBondContact O-CB 3.34Å; H289-N293 PolarHBondContact O-N 2.73Å
290	V	47.3	Very low	44	Very low	87 Å²	87	107.5 Å²	107.5	53%	0.527	51%	0.514	S	S	.	.	H	α-helix	trans	-64.5	-55.5	172.3	171.1	0	0	0	0	110	N286 I287 T292 N293 L294	N286-V290 WeakPolarHBondContact O-CG2 3.24Å; N286-V290 PolarHBondContact O-N 2.85Å; I287-V290 PolarHBondContact O-N 2.88Å; V290-T292 VanDerWaalsContact C-N 3.31Å; V290-T292 PolarHBondContact O-N 2.82Å; V290-N293 PolarHBondContact O-N 3.3Å; V290-N293 VanDerWaalsContact O-N 3.11Å; V290-L294 HydrophobicContact CG1-CD1 4.07Å; V290-L294 WeakPolarHBondContact O-CG 3.35Å; V290-L294 PolarHBondContact O-N 3.05Å
291	F	49.9	Very low	44.2	Very low	39 Å²	39	105 Å²	105	17%	0.171	51%	0.51	C	S	.	.	H	α-helix	trans	-61.4	-36.6	176.3	-76.9	-67.9	0	0	0	112.6	I287 L294 R295 E838 L1113	I287-F291 HydrophobicContact CG2-CD2 3.73Å; I287-F291 HydrophobicContact CG2-CE2 3.78Å; I287-F291 WeakPolarHBondContact O-CD2 3.48Å; I287-F291 PolarHBondContact O-N 3.19Å; F291-L294 HydrophobicContact CD1-CD1 4.39Å; F291-L294 PolarHBondContact O-N 3.32Å; F291-R295 WeakPolarHBondContact O-CB 3.33Å; F291-R295 PolarHBondContact O-N 2.9Å; F291-E838 HydrophobicContact CD1-CB 4.22Å; F291-E838 HydrophobicContact CD1-CG 4.42Å; F291-E838 HydrophobicContact CE1-CB 3.9Å; F291-L1113 HydrophobicContact CE2-CD2 4.44Å; F291-L1113 HydrophobicContact CZ-CD2 3.97Å
292	T	51.7	Low	44.4	Very low	52 Å²	52	108.6 Å²	108.6	32%	0.319	52%	0.524	S	S	.	.	H	α-helix	trans	-70	-32.7	175.2	-61.1	0	0	0	0	112.4	K288 V290 K296	K288-T292 WeakPolarHBondContact O-CA 3.46Å; K288-T292 WeakPolarHBondContact O-CB 3.2Å; K288-T292 PolarHBondContact O-N 3.05Å; K288-T292 PolarHBondContact O-OG1 3.48Å; V290-T292 VanDerWaalsContact C-N 3.31Å; V290-T292 PolarHBondContact O-N 2.82Å; T292-K296 HydrophobicContact CG2-CD 3.97Å; T292-K296 HydrophobicContact CG2-CG 4.31Å; T292-K296 WeakPolarHBondContact O-CB 3.06Å; T292-K296 WeakPolarHBondContact O-CD 3.37Å; T292-K296 WeakPolarHBondContact O-CG 3.14Å; T292-K296 PolarHBondContact O-N 3.4Å
293	N	48.5	Very low	44	Very low	82 Å²	82	113.7 Å²	113.7	44%	0.439	54%	0.538	S	S	.	.	H	α-helix	trans	-69.2	-45.1	173.9	-80.7	-6.1	0	0	0	111.3	H289 V290 K296 S297	H289-N293 PolarHBondContact CE1-ND2 3.41Å; H289-N293 PolarHBondContact CE1-OD1 3.22Å; H289-N293 PolarHBondContact ND1-ND2 2.93Å; H289-N293 VanDerWaalsContact ND1-ND2 3.17Å; H289-N293 PolarHBondContact ND1-OD1 3.45Å; H289-N293 VanDerWaalsContact O-CB 3.26Å; H289-N293 WeakPolarHBondContact O-CB 3.34Å; H289-N293 PolarHBondContact O-N 2.73Å; V290-N293 PolarHBondContact O-N 3.3Å; V290-N293 VanDerWaalsContact O-N 3.11Å; N293-K296 PolarHBondContact O-N 3.33Å; N293-S297 PolarHBondContact O-N 2.86Å; N293-S297 PolarHBondContact O-OG 3.35Å
294	L	46.6	Very low	43.9	Very low	46 Å²	46	114 Å²	114	24%	0.241	55%	0.548	C	S	.	.	H	α-helix	trans	-56.1	-52.7	171	-71	165.3	0	0	0	110.7	V290 F291 K296 S297 F298	V290-L294 HydrophobicContact CG1-CD1 4.07Å; V290-L294 WeakPolarHBondContact O-CG 3.35Å; V290-L294 PolarHBondContact O-N 3.05Å; F291-L294 HydrophobicContact CD1-CD1 4.39Å; F291-L294 PolarHBondContact O-N 3.32Å; L294-K296 PolarHBondContact O-N 3.15Å; L294-S297 PolarHBondContact O-N 3.29Å; L294-S297 VanDerWaalsContact O-N 3.16Å; L294-S297 PolarHBondContact O-OG 3.49Å; L294-F298 HydrophobicContact CB-CD2 4.43Å; L294-F298 HydrophobicContact CB-CE2 4.01Å; L294-F298 HydrophobicContact CD2-CE2 4.33Å; L294-F298 HydrophobicContact CD2-CZ 4.38Å; L294-F298 WeakPolarHBondContact O-CD2 3.21Å; L294-F298 VanDerWaalsContact O-CG 3.27Å; L294-F298 WeakPolarHBondContact O-CG 3.33Å; L294-F298 PolarHBondContact O-N 3.2Å
295	R	44.7	Very low	43.3	Very low	135 Å²	135	112.9 Å²	112.9	51%	0.509	56%	0.558	S	S	.	*	H	α-helix	trans	-65.8	-22	179.4	-153.9	169.4	-166.4	-175.4	6.5	113.4	F291 K299 E838	F291-R295 WeakPolarHBondContact O-CB 3.33Å; F291-R295 PolarHBondContact O-N 2.9Å; R295-K299 WeakPolarHBondContact O-CB 3.48Å; R295-K299 VanDerWaalsContact O-CG 3.29Å; R295-K299 WeakPolarHBondContact O-CG 3.15Å; R295-K299 PolarHBondContact O-N 3.22Å; R295-E838 IonicContact CZ-OE1 2.86Å; R295-E838 IonicContact NE-OE1 2.68Å
296	K	47.3	Very low	42.9	Very low	133 Å²	133	115.8 Å²	115.8	58%	0.578	57%	0.574	S	S	*	*	H	α-helix	trans	-80.5	-40.3	170.8	-81.2	170.3	179.7	171.9	0	112.7	T292 N293 L294 F298 K299	T292-K296 HydrophobicContact CG2-CD 3.97Å; T292-K296 HydrophobicContact CG2-CG 4.31Å; T292-K296 WeakPolarHBondContact O-CB 3.06Å; T292-K296 WeakPolarHBondContact O-CD 3.37Å; T292-K296 WeakPolarHBondContact O-CG 3.14Å; T292-K296 PolarHBondContact O-N 3.4Å; N293-K296 PolarHBondContact O-N 3.33Å; L294-K296 PolarHBondContact O-N 3.15Å; K296-F298 VanDerWaalsContact C-N 3.27Å; K296-F298 PolarHBondContact O-N 2.74Å; K296-K299 PolarHBondContact O-N 3.16Å
297	S	45.2	Very low	42.2	Very low	86 Å²	86	120.6 Å²	120.6	60%	0.601	59%	0.59	S	S	*	*	H	α-helix	trans	-66.7	-32.8	174.5	66.1	0	0	0	0	111.3	N293 L294	N293-S297 PolarHBondContact O-N 2.86Å; N293-S297 PolarHBondContact O-OG 3.35Å; L294-S297 PolarHBondContact O-N 3.29Å; L294-S297 VanDerWaalsContact O-N 3.16Å; L294-S297 PolarHBondContact O-OG 3.49Å
298	F	38.7	Very low	41.3	Very low	100 Å²	100	128 Å²	128	44%	0.439	61%	0.614	S	S	.	*	S	Bend	trans	-77.2	-14.5	174.1	-59.5	-41.5	0	0	0	115.2	L294 K296 R300 K845	L294-F298 HydrophobicContact CB-CD2 4.43Å; L294-F298 HydrophobicContact CB-CE2 4.01Å; L294-F298 HydrophobicContact CD2-CE2 4.33Å; L294-F298 HydrophobicContact CD2-CZ 4.38Å; L294-F298 WeakPolarHBondContact O-CD2 3.21Å; L294-F298 VanDerWaalsContact O-CG 3.27Å; L294-F298 WeakPolarHBondContact O-CG 3.33Å; L294-F298 PolarHBondContact O-N 3.2Å; K296-F298 VanDerWaalsContact C-N 3.27Å; K296-F298 PolarHBondContact O-N 2.74Å; F298-R300 PolarHBondContact O-N 2.88Å; F298-K845 HydrophobicContact CZ-CD 4.46Å
299	K	41.7	Very low	40.3	Very low	163 Å²	163	127.5 Å²	127.5	71%	0.709	62%	0.624	S	S	*	*			trans	-95.3	60.6	-176.2	-87.9	-169.2	173.6	-168.4	0	114.4	R295 K296	R295-K299 WeakPolarHBondContact O-CB 3.48Å; R295-K299 VanDerWaalsContact O-CG 3.29Å; R295-K299 WeakPolarHBondContact O-CG 3.15Å; R295-K299 PolarHBondContact O-N 3.22Å; K296-K299 PolarHBondContact O-N 3.16Å
300	R	38.9	Very low	39.4	Very low	229 Å²	229	127.6 Å²	127.6	86%	0.864	63%	0.632	S	S	*	*	S	Bend	trans	-138.6	96.9	167.8	-74.7	-165.9	169.5	164.9	-0.4	115	F298	F298-R300 PolarHBondContact O-N 2.88Å
301	K	36.3	Very low	38.6	Very low	185 Å²	185	128 Å²	128	80%	0.804	64%	0.639	S	S	*	*			trans	64.6	69.5	158.7	-64.1	-169.9	176.2	-178.6	0	117.7	K303	K301-K303 PolarHBondContact O-N 3.49Å
302	D	37.4	Very low	37.7	Very low	161 Å²	161	132.7 Å²	132.7	86%	0.861	67%	0.666	S	S	*	*				-57.5	124.4	128.8	-61.1	-61.8	0	0	0	108.6
303	K	33.9	Very low	36.9	Very low	179 Å²	179	138.8 Å²	138.8	78%	0.778	69%	0.69	S	S	*	*			trans	-93.5	116.8	166.9	-82.6	-176.2	177	178	0	107.8	K301 S305	K301-K303 PolarHBondContact O-N 3.49Å; K303-S305 PolarHBondContact O-N 3.48Å; K303-S305 VanDerWaalsContact O-N 3.11Å
304	P	33.3	Very low	36.2	Very low	113 Å²	113	140.5 Å²	140.5	73%	0.734	70%	0.699	S	S	*	*			trans	-70.1	110.4	176.4	28.3	-33.5	0	0	0	109.9	V306	P304-V306 HydrophobicContact CB-CG2 4.23Å; P304-V306 PolarHBondContact O-N 2.95Å
305	S	30.2	Very low	35.6	Very low	122 Å²	122	145.3 Å²	145.3	85%	0.853	73%	0.725	S	S	*	*			trans	-79.2	55.9	175.5	58.7	0	0	0	0	111.8	K303 K307	K303-S305 PolarHBondContact O-N 3.48Å; K303-S305 VanDerWaalsContact O-N 3.11Å; S305-K307 PolarHBondContact O-N 3.11Å
306	V	33.7	Very low	35.2	Very low	112 Å²	112	144.7 Å²	144.7	68%	0.679	74%	0.736	S	S	*	*			trans	-76.1	101.2	175.9	175.5	0	0	0	0	109.2	P304 R308	P304-V306 HydrophobicContact CB-CG2 4.23Å; P304-V306 PolarHBondContact O-N 2.95Å; V306-R308 HydrophobicContact CG1-CG 4.14Å; V306-R308 PolarHBondContact O-N 2.85Å
307	K	31.7	Very low	34.4	Very low	189 Å²	189	145.8 Å²	145.8	82%	0.822	74%	0.744	S	S	*	*			trans	-76.6	92.5	158.5	-84.6	-172.5	174	-179.6	0	108.8	S305 V309	S305-K307 PolarHBondContact O-N 3.11Å; K307-V309 PolarHBondContact O-N 3.34Å
308	R	30.4	Very low	33.9	Very low	211 Å²	211	147.6 Å²	147.6	80%	0.796	75%	0.746	S	S	*	*			trans	-67.2	123	153.3	-82.2	-175.1	-179.2	169.4	-0.1	107.7	V306 V310	V306-R308 HydrophobicContact CG1-CG 4.14Å; V306-R308 PolarHBondContact O-N 2.85Å; R308-V310 HydrophobicContact CB-CG2 4.13Å; R308-V310 HydrophobicContact CG-CG2 4.2Å
309	V	30.8	Very low	33.5	Very low	142 Å²	142	150.4 Å²	150.4	86%	0.861	76%	0.758	S	S	*	*			trans	-99.1	98.7	148.2	179.2	0	0	0	0	105.1	K307	K307-V309 PolarHBondContact O-N 3.34Å
310	V	30.1	Very low	33.2	Very low	114 Å²	114	153 Å²	153	69%	0.691	77%	0.765	S	S	*	*			trans	-140.1	99.5	175.5	177.4	0	0	0	0	107.3	R308	R308-V310 HydrophobicContact CB-CG2 4.13Å; R308-V310 HydrophobicContact CG-CG2 4.2Å
311	S	30.2	Very low	32.9	Very low	96 Å²	96	147.3 Å²	147.3	67%	0.671	76%	0.756	S	S	*	*			trans	-179.7	116.7	152.3	49	0	0	0	0	110
312	N	30.3	Very low	32.5	Very low	136 Å²	136	148.4 Å²	148.4	73%	0.727	76%	0.757	S	S	*	*			trans	52.8	109.1	138.5	-45.3	12.8	0	0	0	117.9
313	H	34.7	Very low	32.3	Very low	180 Å²	180	147.7 Å²	147.7	83%	0.833	75%	0.753	S	S	*	*				-151.2	173	88.3	-107.7	-51.7	0	0	0	111.6
314	D	34.3	Very low	32.2	Very low	118 Å²	118	143.1 Å²	143.1	63%	0.631	74%	0.743	S	S	*	*			trans	-103.7	-177.1	-154.3	-45.9	-92.8	0	0	0	112.3
315	D	34.9	Very low	32.2	Very low	148 Å²	148	145.4 Å²	145.4	79%	0.791	74%	0.744	S	S	*	*			trans	75.1	110.7	155.9	-64.7	-26.2	0	0	0	122.2
316	V	36	Very low	32.2	Very low	122 Å²	122	148.1 Å²	148.1	74%	0.739	74%	0.743	S	S	*	*				83.5	118.6	126.6	179.3	0	0	0	0	119.8
317	E	30.8	Very low	32.2	Very low	156 Å²	156	148.4 Å²	148.4	73%	0.729	75%	0.748	S	S	*	*			trans	-25.4	135.5	156.3	-47.3	172.4	107.7	0	0	116.3
318	N	33.3	Very low	32.2	Very low	123 Å²	123	148.1 Å²	148.1	66%	0.658	75%	0.752	S	S	*	*				-165.8	161.2	97.8	-109.2	-74.4	0	0	0	116.6
319	K	31	Very low	32.1	Very low	160 Å²	160	143.7 Å²	143.7	70%	0.696	75%	0.748	S	S	*	*			trans	-53.9	159.3	173.9	-60.8	144.3	-178	161.7	0	113.8
320	Y	35.1	Very low	31.8	Very low	217 Å²	217	142.7 Å²	142.7	85%	0.851	74%	0.742	S	S	*	*			trans	145	140.1	138.2	-78.1	-62.6	0	0	0	109.1
321	T	32.2	Very low	31.8	Very low	110 Å²	110	146.3 Å²	146.3	68%	0.675	75%	0.751	S	S	*	*			cis	176.2	120.3	-24.8	-96.9	0	0	0	0	104.2
322	Y	28.2	Very low	31.6	Very low	208 Å²	208	146.1 Å²	146.1	82%	0.816	75%	0.75	S	S	*	*			trans	45	163.4	153.9	-95.6	-98.8	0	0	0	123
323	N	32.5	Very low	31.5	Very low	145 Å²	145	149 Å²	149	78%	0.775	75%	0.752	S	S	*	*			trans	72.1	143.9	162.2	-65.5	-8.6	0	0	0	117.5
324	S	33.1	Very low	31.2	Very low	83 Å²	83	150.2 Å²	150.2	58%	0.58	75%	0.751	S	S	*	*			cis	-159.2	157.8	-18.2	-159.9	0	0	0	0	112
325	Q	31.9	Very low	31	Very low	161 Å²	161	150.6 Å²	150.6	75%	0.752	75%	0.753	S	S	*	*			trans	46.6	123.1	144.1	-77.7	155.8	-25.9	0	0	123
326	Q	30.2	Very low	30.5	Very low	179 Å²	179	151.7 Å²	151.7	84%	0.836	76%	0.759	S	S	*	*			trans	89.4	137.9	133.7	-73.6	-176	-6.5	0	0	121.2
327	P	33.8	Very low	30.2	Very low	118 Å²	118	149.4 Å²	149.4	77%	0.766	75%	0.748	S	S	*	*			trans	-93.2	155.6	172.5	38.3	-34	0	0	0	112.5
328	M	31.3	Very low	30.1	Very low	184 Å²	184	148.5 Å²	148.5	91%	0.906	75%	0.748	S	S	*	*			trans	-146.5	155	161.3	-103.7	-63.2	-176.9	0	0	110.5
329	T	29.2	Very low	30.1	Very low	117 Å²	117	149.3 Å²	149.3	72%	0.718	75%	0.752	S	S	*	*			trans	-97.5	152.8	-167.4	42.3	0	0	0	0	114.4
330	T	25.2	Very low	30.1	Very low	122 Å²	122	151.3 Å²	151.3	75%	0.748	76%	0.757	S	S	*	*			trans	42.4	100.3	152.2	52.9	0	0	0	0	118.4
331	H	29.4	Very low	30	Very low	190 Å²	190	147.6 Å²	147.6	88%	0.88	75%	0.752	S	S	*	*			trans	-132.4	143.4	143.2	-101.8	23.9	0	0	0	111.3
332	S	25.7	Very low	29.9	Very low	91 Å²	91	148.6 Å²	148.6	64%	0.636	75%	0.753	S	S	*	*			trans	-85.9	-165.6	169.8	51.1	0	0	0	0	110.2
333	Y	27.4	Very low	30.4	Very low	197 Å²	197	147.1 Å²	147.1	77%	0.773	75%	0.753	S	S	*	*			trans	69.2	150.6	-163.8	-45.5	-80.9	0	0	0	111.6
334	Y	30.3	Very low	30.3	Very low	206 Å²	206	150.3 Å²	150.3	81%	0.808	75%	0.754	S	S	*	*			cis	-126.7	173.8	19.8	-113.4	-87.7	0	0	0	115.3
335	N	29	Very low	30.4	Very low	126 Å²	126	153.3 Å²	153.3	67%	0.674	76%	0.764	S	S	*	*			trans	-55.8	144.1	178.6	-72.4	-41.5	0	0	0	114.2	S337	N335-S337 PolarHBondContact O-N 2.82Å
336	N	24	Very low	30.3	Very low	171 Å²	171	154.8 Å²	154.8	91%	0.914	77%	0.768	S	S	*	*			trans	-74.6	105.1	147.8	176.3	15.6	0	0	0	108.3
337	S	30.2	Very low	30.5	Very low	73 Å²	73	154.8 Å²	154.8	51%	0.51	77%	0.768	S	S	.	*			trans	-152.7	115.4	177.4	56.6	0	0	0	0	113.4	N335	N335-S337 PolarHBondContact O-N 2.82Å
338	N	28.9	Very low	30.3	Very low	138 Å²	138	153.5 Å²	153.5	74%	0.738	76%	0.761	S	S	*	*			trans	50.6	110.8	142.8	-51.4	-18.8	0	0	0	118.8
339	N	33.6	Very low	30.4	Very low	140 Å²	140	151.7 Å²	151.7	75%	0.749	76%	0.756	S	S	*	*				-173.8	146.7	93.1	-92.1	-28.5	0	0	0	114.5
340	Y	30.1	Very low	30.4	Very low	202 Å²	202	150.6 Å²	150.6	79%	0.792	75%	0.753	S	S	*	*			trans	10.1	136.5	134	-66.3	-101	0	0	0	117.8
341	N	34.2	Very low	30.7	Very low	138 Å²	138	152.5 Å²	152.5	74%	0.738	76%	0.757	S	S	*	*			cis	-150.9	162.7	46.2	-103.5	-45.4	0	0	0	115.8
342	D	29.9	Very low	30.8	Very low	131 Å²	131	147.7 Å²	147.7	70%	0.701	75%	0.745	S	S	*	*			trans	-94.5	131.1	172.7	172.8	22.3	0	0	0	110.6
343	H	37.4	Very low	31.1	Very low	177 Å²	177	148.1 Å²	148.1	82%	0.819	75%	0.748	S	S	*	*			trans	-139	111.1	169.9	-91.4	-64.9	0	0	0	113.7
344	R	30.8	Very low	31.4	Very low	213 Å²	213	143.1 Å²	143.1	80%	0.804	74%	0.742	S	S	*	*			trans	-63.5	135.9	169.1	-56.1	163.3	171.7	176.2	-4.6	112.2
345	N	34.7	Very low	31.3	Very low	145 Å²	145	139.4 Å²	139.4	78%	0.775	74%	0.741	S	S	*	*				175.5	142.1	113.2	-85.5	-23.8	0	0	0	108.7
346	K	31.1	Very low	31.6	Very low	192 Å²	192	138 Å²	138	84%	0.835	74%	0.739	S	S	*	*			cis	65	75	43.4	-80.2	-161.5	172.3	-172.3	0	115.4
347	Q	34.8	Very low	31.8	Very low	179 Å²	179	137.7 Å²	137.7	84%	0.836	73%	0.732	S	S	*	*			trans	-167.4	123.8	133.2	-96.6	146.8	5.8	0	0	105.5
348	S	29	Very low	31.8	Very low	91 Å²	91	140.8 Å²	140.8	64%	0.636	74%	0.738	S	S	*	*			cis	73.7	138.4	46.7	80.2	0	0	0	0	114
349	N	32.5	Very low	31.8	Very low	147 Å²	147	142.8 Å²	142.8	79%	0.786	74%	0.737	S	S	*	*			trans	79.2	116.4	179.2	-51.6	-8.6	0	0	0	113
350	S	30.1	Very low	31.6	Very low	93 Å²	93	145.4 Å²	145.4	65%	0.65	74%	0.737	S	S	*	*			cis	92.4	121.7	35	76.1	0	0	0	0	113.8
351	L	32.3	Very low	31.4	Very low	162 Å²	162	145.5 Å²	145.5	85%	0.848	74%	0.736	S	S	*	*			trans	167.6	156.3	131.3	-108.9	68.6	0	0	0	107.1
352	S	31.2	Very low	31	Very low	89 Å²	89	145.3 Å²	145.3	62%	0.622	74%	0.735	S	S	*	*			cis	-157.9	171.1	-4.3	51.9	0	0	0	0	110.3
353	S	32.1	Very low	30.9	Very low	100 Å²	100	143.3 Å²	143.3	70%	0.699	73%	0.731	S	S	*	*			trans	50.9	141.9	140.3	60.4	0	0	0	0	121.5
354	S	33.6	Very low	30.7	Very low	93 Å²	93	141 Å²	141	65%	0.65	73%	0.725	S	S	*	*			cis	-178.8	126.8	-8.8	44.4	0	0	0	0	105.5
355	T	27.7	Very low	30.9	Very low	127 Å²	127	138.3 Å²	138.3	78%	0.779	72%	0.721	S	S	*	*				41.9	142.8	82	65.5	0	0	0	0	115.9
356	P	35.5	Very low	30.9	Very low	98 Å²	98	138.3 Å²	138.3	64%	0.636	72%	0.72	S	S	*	*			cis	-136.3	-159.1	-39.3	38.2	-19.6	0	0	0	110.7
357	H	28.5	Very low	30.9	Very low	164 Å²	164	136.9 Å²	136.9	76%	0.759	72%	0.716	S	S	*	*			trans	68.1	162.2	164.5	-69.9	-33.4	0	0	0	115.6
358	Q	30.1	Very low	30.7	Very low	137 Å²	137	137 Å²	137	64%	0.64	72%	0.717	S	S	*	*			cis	-154.9	175.1	-2.1	-127.7	166.6	26.5	0	0	111.8
359	Y	28.9	Very low	30.7	Very low	181 Å²	181	138.1 Å²	138.1	71%	0.71	72%	0.716	S	S	*	*			trans	41.3	115.4	151.5	-72	-60	0	0	0	123.2
360	Y	28.5	Very low	30.6	Very low	195 Å²	195	138.9 Å²	138.9	77%	0.765	71%	0.714	S	S	*	*				63.8	134.2	121.8	-99.4	-122.6	0	0	0	122.8
361	R	26.7	Very low	30.6	Very low	204 Å²	204	138.8 Å²	138.8	77%	0.77	71%	0.714	S	S	*	*			trans	72.1	155.3	144	-97.1	-171.8	172	156	-2.7	119.6
362	N	26.5	Very low	30.4	Very low	134 Å²	134	139.4 Å²	139.4	72%	0.717	71%	0.713	S	S	*	*			trans	25.1	137.7	139.3	-60.3	29.8	0	0	0	118.3
363	S	27.8	Very low	30.4	Very low	89 Å²	89	142.3 Å²	142.3	62%	0.622	72%	0.72	S	S	*	*			cis	-171.6	172.1	21.8	-137.8	0	0	0	0	112
364	N	32.4	Very low	30.1	Very low	127 Å²	127	141.9 Å²	141.9	68%	0.679	72%	0.717	S	S	*	*			trans	67.8	159.2	156.1	-59.9	14.7	0	0	0	114.4
365	E	34.1	Very low	29.9	Very low	157 Å²	157	141.9 Å²	141.9	73%	0.734	71%	0.71	S	S	*	*			cis	-155.9	140.2	-0.6	-124.9	147.5	-124.7	0	0	103.6
366	I	35	Very low	29.9	Very low	146 Å²	146	141.5 Å²	141.5	75%	0.749	70%	0.7	S	S	*	*			cis	-144.3	125	28.3	-70.3	154.2	0	0	0	105.8
367	Q	31.6	Very low	29.6	Very low	162 Å²	162	141.1 Å²	141.1	76%	0.757	69%	0.689	S	S	*	*				41.5	135.6	106.8	-72.5	172.9	-19.5	0	0	115.3
368	E	30.3	Very low	29.5	Very low	182 Å²	182	138.1 Å²	138.1	85%	0.85	69%	0.686	S	S	*	*			cis	-115.2	161.2	32	-57.6	176.8	110.4	0	0	111.8
369	N	29.3	Very low	29.5	Very low	114 Å²	114	139.4 Å²	139.4	61%	0.61	70%	0.697	S	S	*	*			cis	58.7	136	47.8	-67.6	-22.5	0	0	0	112.5
370	Q	31.3	Very low	29.4	Very low	162 Å²	162	138.3 Å²	138.3	76%	0.757	70%	0.704	S	S	*	*			cis	-149.1	151.8	-1.7	-115.1	167.1	53.9	0	0	111.3
371	S	29.4	Very low	29.5	Very low	92 Å²	92	135.6 Å²	135.6	64%	0.643	70%	0.701	S	S	*	*			trans	20.6	118.2	130.1	-52.4	0	0	0	0	122.1
372	Q	26.9	Very low	29.4	Very low	175 Å²	175	130.8 Å²	130.8	82%	0.818	70%	0.699	S	S	*	*			trans	66.1	176.6	140.9	-52.6	-178.4	18.2	0	0	118.4
373	L	31.2	Very low	29.7	Very low	149 Å²	149	131.9 Å²	131.9	78%	0.78	70%	0.702	S	S	*	*			trans	56.1	97	166.2	-58.1	176.2	0	0	0	116.5
374	S	26.6	Very low	29.8	Very low	91 Å²	91	132.6 Å²	132.6	64%	0.636	70%	0.703	S	S	*	*				80.7	137.1	75.8	72	0	0	0	0	116
375	N	28.9	Very low	29.5	Very low	93 Å²	93	133.4 Å²	133.4	50%	0.497	71%	0.708	S	S	.	*			trans	75.1	96.7	155.5	-63.4	8.4	0	0	0	121.5	K267 Q269	K267-N375 PolarHBondContact NZ-O 2.63Å; K267-N375 VanDerWaalsContact NZ-O 3.11Å; Q269-N375 PolarHBondContact NE2-ND2 3.02Å
376	E	28.6	Very low	29.4	Very low	120 Å²	120	131.5 Å²	131.5	56%	0.561	71%	0.712	S	S	*	*				76	152.5	122.9	-64.9	172	-178.7	0	0	121	K267	K267-E376 WeakPolarHBondContact CE-OE2 3.45Å; K267-E376 PolarHBondContact NZ-O 2.91Å
377	Q	29.5	Very low	29.3	Very low	90 Å²	90	132.7 Å²	132.7	42%	0.421	72%	0.719	S	S	.	*			trans	87.6	87.7	161.1	-73.3	175.7	-11.8	0	0	118.7
378	S	25.5	Very low	29.2	Very low	100 Å²	100	133.2 Å²	133.2	70%	0.699	72%	0.721	S	S	*	*				37.5	115.5	112.4	62.8	0	0	0	0	119
379	L	29.9	Very low	29.2	Very low	164 Å²	164	133.1 Å²	133.1	86%	0.859	72%	0.721	S	S	*	*			trans	-120	113.9	145.5	-78.8	172.9	0	0	0	109.6
380	N	26.6	Very low	29.4	Very low	159 Å²	159	135.2 Å²	135.2	85%	0.85	73%	0.731	S	S	*	*			trans	-69.8	126.1	158.3	-82	-28.1	0	0	0	107.8
381	I	30.7	Very low	29.4	Very low	137 Å²	137	136.6 Å²	136.6	70%	0.703	74%	0.735	S	S	*	*			trans	-128.1	96.9	159.9	-55.8	-177.6	0	0	0	107.3	I383	I381-I383 HydrophobicContact CG2-CD1 4.37Å; I381-I383 HydrophobicContact CG2-CG1 4.01Å
382	S	25.8	Very low	29.6	Very low	104 Å²	104	142.8 Å²	142.8	73%	0.727	74%	0.744	S	S	*	*			trans	-74.4	128.9	163.7	-48.4	0	0	0	0	108.3
383	I	32	Very low	29.9	Very low	156 Å²	156	139.2 Å²	139.2	80%	0.8	74%	0.736	S	S	*	*			trans	-122.8	89.9	159.5	-55.8	-176.5	0	0	0	106.7	I381	I381-I383 HydrophobicContact CG2-CD1 4.37Å; I381-I383 HydrophobicContact CG2-CG1 4.01Å
384	T	29.2	Very low	29.9	Very low	104 Å²	104	140.3 Å²	140.3	64%	0.638	74%	0.737	S	S	*	*			trans	-72.4	152.4	157	42.3	0	0	0	0	109.5
385	D	27.5	Very low	30.3	Very low	145 Å²	145	144.5 Å²	144.5	78%	0.775	75%	0.747	S	S	*	*			trans	42.4	97.7	153.6	-48.1	-38.8	0	0	0	118.7
386	S	30.9	Very low	30.3	Very low	116 Å²	116	147.2 Å²	147.2	81%	0.811	76%	0.761	S	S	*	*			trans	-177.4	106.6	130.2	-83.6	0	0	0	0	112
387	L	32.5	Very low	30.5	Very low	172 Å²	172	148.9 Å²	148.9	90%	0.901	77%	0.773	S	S	*	*			trans	178.1	78.2	130.1	-96.5	163	0	0	0	110.2
388	Q	31.3	Very low	30.6	Very low	172 Å²	172	150.6 Å²	150.6	80%	0.804	79%	0.785	S	S	*	*			trans	-68.5	179.5	146.7	-67.4	-178.6	-7.2	0	0	109.4
389	Q	30	Very low	30.7	Very low	180 Å²	180	153.3 Å²	153.3	84%	0.841	79%	0.79	S	S	*	*			trans	74.3	77.8	172.4	-48.9	-174.5	24.6	0	0	116.2
390	L	33.3	Very low	30.8	Very low	159 Å²	159	151.2 Å²	151.2	83%	0.832	78%	0.784	S	S	*	*			trans	-133.4	56.8	137.8	-125.4	166.2	0	0	0	110.5	R392	L390-R392 PolarHBondContact O-N 2.96Å
391	K	30.5	Very low	30.9	Very low	191 Å²	191	154.4 Å²	154.4	83%	0.83	79%	0.785	S	S	*	*			trans	-68.7	123.9	167.5	-132	-172.1	-177.2	-163.3	0	108
392	R	34.3	Very low	31	Very low	221 Å²	221	153 Å²	153	83%	0.834	79%	0.788	S	S	*	*			trans	-132.4	151.7	158.1	-82.4	-164.5	176.4	-176.9	-0.3	108.2	L390	L390-R392 PolarHBondContact O-N 2.96Å
393	P	32.6	Very low	31.1	Very low	100 Å²	100	154.1 Å²	154.1	65%	0.649	79%	0.791	S	S	*	*			trans	-87.5	161	-135.8	32.9	-37.7	0	0	0	114	E395	P393-E395 HydrophobicContact CG-CG 4.48Å
394	E	30.8	Very low	31	Very low	173 Å²	173	155 Å²	155	81%	0.808	79%	0.791	S	S	*	*			trans	-63	125.7	150.4	-66	144.4	136.5	0	0	108
395	E	36.4	Very low	31	Very low	179 Å²	179	157.3 Å²	157.3	84%	0.836	80%	0.799	S	S	*	*			trans	-119.6	109.9	157.9	-74.6	-175.3	163.9	0	0	106.4	P393	P393-E395 HydrophobicContact CG-CG 4.48Å
396	D	28.8	Very low	31.4	Very low	150 Å²	150	158.6 Å²	158.6	80%	0.802	80%	0.804	S	S	*	*			trans	-58.9	146.2	165.8	-63.4	-67.9	0	0	0	109.8
397	L	32.8	Very low	31.4	Very low	155 Å²	155	157.2 Å²	157.2	81%	0.812	80%	0.8	S	S	*	*			trans	-174.3	108.1	141.9	-102.8	161.5	0	0	0	112.1
398	D	31.8	Very low	32	Very low	125 Å²	125	154.7 Å²	154.7	67%	0.668	79%	0.794	S	S	*	*			trans	39.4	104.1	141.4	-59.3	-16.3	0	0	0	121.2
399	I	27.6	Very low	32.3	Very low	157 Å²	157	152.3 Å²	152.3	81%	0.805	79%	0.793	S	S	*	*				27.8	101	115.9	-49.9	164.4	0	0	0	116.3
400	V	31.8	Very low	32.6	Very low	121 Å²	121	147.8 Å²	147.8	73%	0.733	79%	0.787	S	S	*	*			trans	-139.3	108.8	146.5	-178.7	0	0	0	0	110.3	S402	V400-S402 WeakPolarHBondContact CG1-OG 3.26Å
401	Y	27.7	Very low	32.7	Very low	225 Å²	225	147.3 Å²	147.3	88%	0.882	78%	0.783	S	S	*	*			trans	-74.3	130.7	152.8	-93.2	-101.1	0	0	0	107.9
402	S	32.5	Very low	33	Very low	109 Å²	109	143.7 Å²	143.7	76%	0.762	78%	0.779	S	S	*	*			trans	-152.9	123.6	166.5	-80.3	0	0	0	0	112	V400	V400-S402 WeakPolarHBondContact CG1-OG 3.26Å
403	T	29.6	Very low	32.8	Very low	127 Å²	127	138.8 Å²	138.8	78%	0.779	77%	0.774	S	S	*	*			trans	-99.1	152.3	175.3	42.1	0	0	0	0	111.3
404	E	30	Very low	33	Very low	174 Å²	174	143.4 Å²	143.4	81%	0.813	78%	0.784	S	S	*	*			trans	72.9	164.2	155.3	-71.6	-167.4	161.1	0	0	121.3
405	L	29.3	Very low	33	Very low	153 Å²	153	142.9 Å²	142.9	80%	0.801	78%	0.784	S	S	*	*			trans	66.5	115.1	163.7	-68.1	159.2	0	0	0	119.1
406	I	34.6	Very low	32.9	Very low	171 Å²	171	139.1 Å²	139.1	88%	0.877	78%	0.777	S	S	*	*				-174.2	136.3	98.2	-88.8	156.9	0	0	0	110.9
407	A	31.4	Very low	33	Very low	87 Å²	87	137.1 Å²	137.1	72%	0.719	77%	0.774	S	S	*	*			trans	-164.8	174.6	164.4	0	0	0	0	0	108.6
408	P	44.2	Very low	33.3	Very low	120 Å²	120	136.3 Å²	136.3	78%	0.779	77%	0.771	S	S	*	*			cis	-110.7	-147.9	-48.5	38.7	-24.8	0	0	0	109.2
409	P	38.6	Very low	33.4	Very low	121 Å²	121	135.9 Å²	135.9	79%	0.786	78%	0.775	S	S	*	*				-151.8	153.9	122.9	35.5	-18	0	0	0	118.6
410	A	36.6	Very low	33.8	Very low	86 Å²	86	135.2 Å²	135.2	71%	0.711	77%	0.773	S	S	*	*			trans	57.5	128.8	151.8	0	0	0	0	0	121.7
411	I	35.3	Very low	34	Very low	149 Å²	149	136 Å²	136	76%	0.764	77%	0.773	S	S	*	*			cis	74	123	36.9	-57.1	179.8	0	0	0	111.5
412	P	35.9	Very low	34.3	Very low	115 Å²	115	130.9 Å²	130.9	75%	0.747	77%	0.767	S	S	*	*				-148.2	132.5	59.9	37.2	-15	0	0	0	121.3
413	T	31.2	Very low	34.4	Very low	117 Å²	117	132.5 Å²	132.5	72%	0.718	77%	0.766	S	S	*	*				31.8	126.5	120	-25.3	0	0	0	0	123.4
414	K	35.2	Very low	34.4	Very low	197 Å²	197	137 Å²	137	86%	0.857	77%	0.77	S	S	*	*			trans	172.3	153.8	135.6	-97.9	170.4	-176.6	-179.6	0	110.4
415	M	32.8	Very low	34.7	Very low	163 Å²	163	134.3 Å²	134.3	80%	0.803	77%	0.765	S	S	*	*			cis	-172.6	159.4	-34.6	-119.4	-170.6	83.5	0	0	108.7
416	S	32.8	Very low	34.9	Very low	100 Å²	100	132.6 Å²	132.6	70%	0.699	76%	0.757	S	S	*	*			trans	64.7	114.4	170	-149.8	0	0	0	0	116
417	S	31.7	Very low	35	Very low	107 Å²	107	132.4 Å²	132.4	75%	0.748	75%	0.752	S	S	*	*			cis	77	102.9	40.9	84.4	0	0	0	0	115.9
418	D	38.5	Very low	35.1	Very low	139 Å²	139	132.6 Å²	132.6	74%	0.743	75%	0.749	S	S	*	*			trans	-165.3	120.8	130.9	-167.4	-7.1	0	0	0	110.5	N420	D418-N420 PolarHBondContact OD1-N 3.33Å
419	P	34	Very low	34.8	Very low	115 Å²	115	134.5 Å²	134.5	75%	0.747	75%	0.75	S	S	*	*			trans	-113.6	51.6	177.6	41.3	-31.5	0	0	0	114.4
420	N	35.8	Very low	34.6	Very low	144 Å²	144	137.9 Å²	137.9	77%	0.77	75%	0.753	S	S	*	*			trans	-161	91.7	167	-99	-45.9	0	0	0	114.7	D418	D418-N420 PolarHBondContact OD1-N 3.33Å
421	N	37	Very low	34.7	Very low	138 Å²	138	138.7 Å²	138.7	74%	0.738	75%	0.751	S	S	*	*			trans	-159.7	109.9	159.9	-150.7	-20.7	0	0	0	115.6
422	P	34.1	Very low	34.8	Very low	116 Å²	116	138.6 Å²	138.6	75%	0.753	75%	0.752	S	S	*	*			trans	-107	119.1	169.6	34.7	-25	0	0	0	112.4
423	I	33.2	Very low	34.6	Very low	144 Å²	144	144 Å²	144	74%	0.738	76%	0.757	S	S	*	*			trans	-145.3	133.1	170.4	-99.8	143.6	0	0	0	112.4
424	Y	31.1	Very low	35.1	Very low	221 Å²	221	143.6 Å²	143.6	87%	0.867	76%	0.756	S	S	*	*			trans	-78.6	143.2	168	-94.1	-115.9	0	0	0	111
425	V	35.5	Very low	35.3	Very low	117 Å²	117	139.6 Å²	139.6	71%	0.709	75%	0.751	S	S	*	*			trans	-137.2	141.2	143.1	-171.2	0	0	0	0	110.7
426	N	33.3	Very low	35.2	Very low	117 Å²	117	139.2 Å²	139.2	63%	0.626	75%	0.752	S	S	*	*			trans	-66.3	166.8	179.8	-57.7	-84.6	0	0	0	113.7
427	H	37.2	Very low	35.3	Very low	167 Å²	167	141.1 Å²	141.1	77%	0.773	75%	0.753	S	S	*	*				-178.6	111	100.8	-81.3	-51.6	0	0	0	109.3
428	S	33.9	Very low	35.4	Very low	92 Å²	92	141.2 Å²	141.2	64%	0.643	75%	0.745	S	S	*	*				89.6	135.3	70.3	-73.2	0	0	0	0	114.2
429	I	36.3	Very low	35	Very low	160 Å²	160	144.3 Å²	144.3	82%	0.821	75%	0.746	S	S	*	*			trans	105.1	94.7	175.3	-59.2	158.8	0	0	0	111.9
430	K	35.8	Very low	34.9	Very low	192 Å²	192	148.3 Å²	148.3	84%	0.835	75%	0.752	S	S	*	*				74.5	146.9	58.1	-72.8	-171.7	169	179.3	0	114.4
431	P	39	Very low	35	Very low	102 Å²	102	150.4 Å²	150.4	66%	0.662	76%	0.757	S	S	*	*			cis	-142	-162.3	-45.4	40.5	-21.5	0	0	0	112.3
432	N	36.4	Very low	34.9	Very low	147 Å²	147	150.3 Å²	150.3	79%	0.786	76%	0.756	S	S	*	*			trans	112.7	91	165.7	-60.9	-24.4	0	0	0	113.3
433	R	31.3	Very low	35.1	Very low	229 Å²	229	152.2 Å²	152.2	86%	0.864	76%	0.76	S	S	*	*				97.2	106.5	50.4	-174.4	-179	-167	-176.8	6.1	111.8
434	P	41.4	Very low	35.6	Very low	108 Å²	108	151.5 Å²	151.5	70%	0.701	76%	0.762	S	S	*	*			trans	-85.3	169.7	173	37.1	-36.1	0	0	0	112.5
435	P	40.2	Very low	35.7	Very low	114 Å²	114	146.3 Å²	146.3	74%	0.74	76%	0.759	S	S	*	*				-120.5	153.5	104.3	1.3	20.1	0	0	0	111.3
436	N	30.9	Very low	35.9	Very low	155 Å²	155	146.2 Å²	146.2	83%	0.829	76%	0.763	S	S	*	*			cis	77.3	155.9	49	-158.9	15.1	0	0	0	113.6
437	I	35.3	Very low	36.3	Very low	140 Å²	140	146.6 Å²	146.6	72%	0.718	77%	0.772	S	S	*	*			trans	100.6	98.8	177.1	-55.5	167.8	0	0	0	116.2
438	D	34.2	Very low	36.5	Very low	108 Å²	108	148 Å²	148	58%	0.578	78%	0.776	S	S	*	*			trans	53.3	117.6	137.5	-81.2	-54.6	0	0	0	124.8
439	R	30	Very low	37	Very low	205 Å²	205	149.4 Å²	149.4	77%	0.774	78%	0.783	S	S	*	*				66.3	122.5	124.5	-71	168.5	176.2	132.2	-8.9	121.5
440	K	30.2	Very low	37.4	Very low	198 Å²	198	148.5 Å²	148.5	86%	0.861	79%	0.785	S	S	*	*			trans	61.3	98	148.7	-62.2	177.9	178.5	179	0	116.5
441	E	39	Very low	37.8	Very low	188 Å²	188	150.1 Å²	150.1	88%	0.879	79%	0.786	S	S	*	*			trans	-153.2	-177.7	133.9	-129.9	157.7	-147.2	0	0	114.1
442	N	34	Very low	37.8	Very low	136 Å²	136	150.1 Å²	150.1	73%	0.727	79%	0.786	S	S	*	*			trans	-84.9	142.1	-168	-49.4	-82.1	0	0	0	112.2
443	D	38.3	Very low	38.3	Very low	156 Å²	156	148.8 Å²	148.8	83%	0.834	79%	0.788	S	S	*	*			trans	-143.9	120.1	147	-92.7	-44.5	0	0	0	107.7
444	V	45.1	Very low	38.6	Very low	129 Å²	129	143.7 Å²	143.7	78%	0.782	78%	0.778	S	S	*	*				78	129.9	58.1	178.8	0	0	0	0	111.5
445	S	32.5	Very low	38.6	Very low	113 Å²	113	143.6 Å²	143.6	79%	0.79	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-96.2	116.1	-163.6	57.9	0	0	0	0	113.5
446	S	39.1	Very low	38.6	Very low	114 Å²	114	143 Å²	143	80%	0.797	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-70.2	152.1	166.7	-64.6	0	0	0	0	112.3
447	P	42.8	Very low	39	Very low	126 Å²	126	144.2 Å²	144.2	82%	0.818	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-74.8	147.6	-162.5	-19.1	34.1	0	0	0	114.8
448	K	40.3	Very low	39.1	Very low	196 Å²	196	142 Å²	142	85%	0.852	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-78.1	132.1	174.4	-160.4	168.5	-165.7	162	0	110	T450	K448-T450 PolarHBondContact O-N 3.43Å
449	P	44.2	Very low	38.9	Very low	122 Å²	122	140.4 Å²	140.4	79%	0.792	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-56.5	132.9	179.7	-27	34.8	0	0	0	112.5	R451	P449-R451 PolarHBondContact O-N 3.4Å
450	T	45.5	Very low	39.2	Very low	141 Å²	141	136.5 Å²	136.5	87%	0.865	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-63.7	121.9	177.5	-52.8	0	0	0	0	109.7	K448	K448-T450 PolarHBondContact O-N 3.43Å
451	R	43.9	Very low	39.4	Very low	225 Å²	225	133.8 Å²	133.8	85%	0.849	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-62.8	135.1	177.5	-171	-174.8	-172.9	-159.9	1	109.7	P449 S453	P449-R451 PolarHBondContact O-N 3.4Å; R451-S453 PolarHBondContact O-N 2.73Å
452	P	39.4	Very low	39.5	Very low	102 Å²	102	129.9 Å²	129.9	66%	0.662	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-51.4	133.8	170.4	-28.1	35.9	0	0	0	111.5	N454	P452-N454 VanDerWaalsContact C-N 3.29Å; P452-N454 WeakPolarHBondContact CB-O 3.04Å; P452-N454 PolarHBondContact O-N 2.85Å
453	S	46.7	Very low	39.6	Very low	119 Å²	119	130.8 Å²	130.8	83%	0.832	74%	0.743	S	S	*	*	S	Bend	trans	-70.1	-26.7	-179.7	45.2	0	0	0	0	112.8	R451	R451-S453 PolarHBondContact O-N 2.73Å
454	N	38.5	Very low	39.3	Very low	123 Å²	123	130.4 Å²	130.4	66%	0.658	74%	0.735	S	S	*	*	S	Bend	trans	-111.6	144.7	171.6	-66.6	-36.1	0	0	0	110.2	P452	P452-N454 VanDerWaalsContact C-N 3.29Å; P452-N454 WeakPolarHBondContact CB-O 3.04Å; P452-N454 PolarHBondContact O-N 2.85Å
455	P	40.8	Very low	38.7	Very low	106 Å²	106	132.8 Å²	132.8	69%	0.688	74%	0.738	S	S	*	*			trans	-64.2	156.7	163.4	31.4	-34.7	0	0	0	110
456	P	39.2	Very low	38.7	Very low	100 Å²	100	138.9 Å²	138.9	65%	0.649	74%	0.744	S	S	*	*			trans	-57.2	143.5	167.7	25.4	-33.2	0	0	0	110	I458	P456-I458 HydrophobicContact CB-CG1 4.49Å; P456-I458 HydrophobicContact CG-CD1 4.2Å; P456-I458 HydrophobicContact CG-CG1 4.13Å; P456-I458 PolarHBondContact O-N 3.44Å
457	L	40.9	Very low	38.4	Very low	181 Å²	181	138.3 Å²	138.3	95%	0.948	74%	0.739	S	S	*	*			trans	-73	74.7	172.5	-78.7	168.6	0	0	0	109.8
458	I	35.9	Very low	38.2	Very low	95 Å²	95	137.1 Å²	137.1	49%	0.487	73%	0.725	S	S	.	*			trans	-59.9	140.1	167.6	-69.7	171.8	0	0	0	108.4	P456 D462	P456-I458 HydrophobicContact CB-CG1 4.49Å; P456-I458 HydrophobicContact CG-CD1 4.2Å; P456-I458 HydrophobicContact CG-CG1 4.13Å; P456-I458 PolarHBondContact O-N 3.44Å; I458-D462 HydrophobicContact CG2-CB 3.51Å; I458-D462 WeakPolarHBondContact CG2-OD2 3.48Å
459	S	29.9	Very low	38.1	Very low	74 Å²	74	137.3 Å²	137.3	52%	0.517	72%	0.721	S	S	.	*			trans	-64.2	150.6	-175.8	-75.4	0	0	0	0	111.3	M461 D462	S459-M461 PolarHBondContact O-N 3.07Å; S459-D462 PolarHBondContact O-N 2.97Å
460	P	37.2	Very low	37.9	Very low	122 Å²	122	137.8 Å²	137.8	79%	0.792	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-10.6	179.3	-27.9	36	0	0	0	116.3
461	M	34.2	Very low	37.8	Very low	142 Å²	142	136.9 Å²	136.9	70%	0.7	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-39.5	173.2	-77.6	173.7	50.8	0	0	113.1	S459 H463 H464	S459-M461 PolarHBondContact O-N 3.07Å; M461-H463 PolarHBondContact O-N 3.36Å; M461-H464 PolarHBondContact O-N 3.46Å
462	D	41.6	Very low	37.7	Very low	105 Å²	105	131.1 Å²	131.1	56%	0.561	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	26.7	-164.4	-44.4	-58	0	0	0	114.2	I458 S459	I458-D462 HydrophobicContact CG2-CB 3.51Å; I458-D462 WeakPolarHBondContact CG2-OD2 3.48Å; S459-D462 PolarHBondContact O-N 2.97Å
463	H	35	Very low	37.8	Very low	156 Å²	156	133.9 Å²	133.9	72%	0.722	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	-8.6	170.8	-87.9	26.6	0	0	0	113.8	M461 Q465	M461-H463 PolarHBondContact O-N 3.36Å; H463-Q465 VanDerWaalsContact C-N 3.3Å; H463-Q465 PolarHBondContact O-N 3.01Å; H463-Q465 VanDerWaalsContact O-N 3.08Å
464	H	32.8	Very low	37.8	Very low	147 Å²	147	133.6 Å²	133.6	68%	0.681	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	51.8	-177.9	-77.1	82.1	0	0	0	113.5	M461	M461-H464 PolarHBondContact O-N 3.46Å
465	Q	32.3	Very low	38.2	Very low	180 Å²	180	132.8 Å²	132.8	84%	0.841	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-139.4	7.9	179.6	-74	-164.6	-7.4	0	0	116.3	H463	H463-Q465 VanDerWaalsContact C-N 3.3Å; H463-Q465 PolarHBondContact O-N 3.01Å; H463-Q465 VanDerWaalsContact O-N 3.08Å
466	R	32.9	Very low	38.5	Very low	241 Å²	241	130 Å²	130	91%	0.909	65%	0.65	S	S	*	*	S	Bend	trans	-137.7	5.8	-175.5	-71.3	-165.8	177	-169.5	-1.1	118.4
467	C	33.2	Very low	38.8	Very low	102 Å²	102	127 Å²	127	69%	0.689	64%	0.637	S	S	*	*	S	Bend	trans	-112.6	-33.7	-178.7	-64.6	0	0	0	0	115.5	R469	C467-R469 VanDerWaalsContact C-N 3.34Å; C467-R469 PolarHBondContact O-N 2.93Å
468	D	37.2	Very low	39.4	Very low	100 Å²	100	123 Å²	123	54%	0.535	62%	0.616	S	S	.	*	G	3₁₀ helix	trans	-78.9	-12.5	-160.8	-44.6	-52.4	0	0	0	115.1	L470 D471 E472	D468-L470 PolarHBondContact O-N 3.25Å; D468-D471 PolarHBondContact O-N 3.32Å; D468-E472 PolarHBondContact O-N 3.17Å
469	R	39.5	Very low	39.9	Very low	200 Å²	200	124.7 Å²	124.7	76%	0.755	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-66.2	-1.8	-175.6	-75	-174.4	172.5	-178.6	-2	116.2	C467	C467-R469 VanDerWaalsContact C-N 3.34Å; C467-R469 PolarHBondContact O-N 2.93Å
470	L	38.5	Very low	40.5	Very low	133 Å²	133	128.3 Å²	128.3	70%	0.696	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-95.3	-41	175.7	-77.3	170.4	0	0	0	112.2	D468 E472 K473	D468-L470 PolarHBondContact O-N 3.25Å; L470-E472 VanDerWaalsContact C-N 3.35Å; L470-K473 PolarHBondContact O-N 2.84Å
471	D	44.9	Very low	41.2	Very low	122 Å²	122	127.7 Å²	127.7	65%	0.652	61%	0.608	S	S	*	*	H	α-helix	trans	-71.1	-32.6	177	-70.2	-41.3	0	0	0	111.5	D468 K473 N474 E475	D468-D471 PolarHBondContact O-N 3.32Å; D471-K473 PolarHBondContact O-N 3.36Å; D471-N474 PolarHBondContact O-N 3.08Å; D471-E475 PolarHBondContact O-N 2.91Å
472	E	41.7	Very low	42.2	Very low	103 Å²	103	125.5 Å²	125.5	48%	0.481	60%	0.599	S	S	.	*	H	α-helix	trans	-50	-43.6	169.5	-77.6	-170.7	115.7	0	0	112.4	D468 L470 N474 I476	D468-E472 PolarHBondContact O-N 3.17Å; L470-E472 VanDerWaalsContact C-N 3.35Å; E472-N474 VanDerWaalsContact C-N 3.34Å; E472-N474 PolarHBondContact O-N 3.41Å; E472-I476 VanDerWaalsContact O-CB 3.26Å; E472-I476 WeakPolarHBondContact O-CB 3.15Å; E472-I476 WeakPolarHBondContact O-CD1 3.46Å; E472-I476 WeakPolarHBondContact O-CG1 3.27Å; E472-I476 PolarHBondContact O-N 2.86Å
473	K	41.4	Very low	42.7	Very low	160 Å²	160	124.5 Å²	124.5	70%	0.696	59%	0.593	S	S	*	*	H	α-helix	trans	-66.3	-36.5	-179.5	-74.8	-166.8	172.8	-168.2	0	112.7	L470 D471 G477	L470-K473 PolarHBondContact O-N 2.84Å; D471-K473 PolarHBondContact O-N 3.36Å; K473-G477 PolarHBondContact O-N 2.84Å; K473-G477 VanDerWaalsContact O-N 3.07Å
474	N	45.9	Very low	43.5	Very low	114 Å²	114	121.2 Å²	121.2	61%	0.61	58%	0.584	S	S	*	*	H	α-helix	trans	-76.9	-39.1	-178.9	-152.6	21.6	0	0	0	110.8	D471 E472 G477 I478	D471-N474 PolarHBondContact O-N 3.08Å; E472-N474 VanDerWaalsContact C-N 3.34Å; E472-N474 PolarHBondContact O-N 3.41Å; N474-G477 WeakPolarHBondContact O-CA 3.39Å; N474-G477 PolarHBondContact O-N 3.17Å; N474-G477 VanDerWaalsContact O-N 3.11Å; N474-I478 PolarHBondContact O-N 3.42Å; N474-I478 VanDerWaalsContact O-N 3.08Å
475	E	47.8	Very low	44.1	Very low	106 Å²	106	118.6 Å²	118.6	50%	0.495	58%	0.575	S	S	.	*	H	α-helix	trans	-67.6	-37.8	173.2	-158.9	-179.3	-140.3	0	0	111.6	D471 G477 I478 R479	D471-E475 PolarHBondContact O-N 2.91Å; E475-G477 VanDerWaalsContact C-N 3.26Å; E475-G477 PolarHBondContact O-N 2.81Å; E475-I478 PolarHBondContact O-N 2.83Å; E475-R479 WeakPolarHBondContact O-CB 3.49Å; E475-R479 VanDerWaalsContact O-CG 3.24Å; E475-R479 WeakPolarHBondContact O-CG 3.48Å; E475-R479 PolarHBondContact O-N 3.12Å; E475-R479 IonicContact OE2-CZ 3.7Å; E475-R479 IonicContact OE2-NE 3.91Å; E475-R479 IonicContact OE2-NH2 2.63Å; E475-R479 PolarHBondContact OE2-NH2 2.9Å
476	I	46.1	Very low	45.3	Very low	47 Å²	47	113.1 Å²	113.1	24%	0.241	56%	0.557	C	S	.	*	H	α-helix	trans	-58.1	-38.9	167.9	-74.5	162.5	0	0	0	111.1	E472 R479 R480	E472-I476 VanDerWaalsContact O-CB 3.26Å; E472-I476 WeakPolarHBondContact O-CB 3.15Å; E472-I476 WeakPolarHBondContact O-CD1 3.46Å; E472-I476 WeakPolarHBondContact O-CG1 3.27Å; E472-I476 PolarHBondContact O-N 2.86Å; I476-R479 PolarHBondContact O-N 2.68Å; I476-R480 HydrophobicContact CG2-CG 4.37Å; I476-R480 WeakPolarHBondContact O-CB 3.39Å; I476-R480 VanDerWaalsContact O-CG 3.22Å; I476-R480 WeakPolarHBondContact O-CG 3.34Å; I476-R480 PolarHBondContact O-N 2.64Å
477	G	45.1	Very low	46	Very low	36 Å²	36	107.1 Å²	107.1	37%	0.371	54%	0.541	S	S	.	.	H	α-helix	trans	-58.6	-45.4	173.4	0	0	0	0	0	113.2	K473 N474 E475 R480 L481	K473-G477 PolarHBondContact O-N 2.84Å; K473-G477 VanDerWaalsContact O-N 3.07Å; N474-G477 WeakPolarHBondContact O-CA 3.39Å; N474-G477 PolarHBondContact O-N 3.17Å; N474-G477 VanDerWaalsContact O-N 3.11Å; E475-G477 VanDerWaalsContact C-N 3.26Å; E475-G477 PolarHBondContact O-N 2.81Å; G477-R480 PolarHBondContact O-N 3.33Å; G477-L481 PolarHBondContact O-N 3.39Å
478	I	54.8	Low	46.3	Very low	98 Å²	98	107.9 Å²	107.9	50%	0.503	54%	0.539	S	S	.	.	H	α-helix	trans	-66.4	-48	176	-64.3	165.7	0	0	0	110.7	N474 E475 R480 L481 D482	N474-I478 PolarHBondContact O-N 3.42Å; N474-I478 VanDerWaalsContact O-N 3.08Å; E475-I478 PolarHBondContact O-N 2.83Å; I478-R480 VanDerWaalsContact C-N 3.26Å; I478-R480 PolarHBondContact O-N 2.94Å; I478-L481 PolarHBondContact O-N 3.19Å; I478-L481 VanDerWaalsContact O-N 3.08Å; I478-D482 PolarHBondContact O-N 3.11Å
479	R	45.7	Very low	46.2	Very low	130 Å²	130	108.7 Å²	108.7	49%	0.491	55%	0.55	S	S	.	.	H	α-helix	trans	-58.1	-35.4	177.2	-66.6	175.2	-151.9	174.4	6.1	112.5	E475 I476 L483	E475-R479 WeakPolarHBondContact O-CB 3.49Å; E475-R479 VanDerWaalsContact O-CG 3.24Å; E475-R479 WeakPolarHBondContact O-CG 3.48Å; E475-R479 PolarHBondContact O-N 3.12Å; E475-R479 IonicContact OE2-CZ 3.7Å; E475-R479 IonicContact OE2-NE 3.91Å; E475-R479 IonicContact OE2-NH2 2.63Å; E475-R479 PolarHBondContact OE2-NH2 2.9Å; I476-R479 PolarHBondContact O-N 2.68Å; R479-L483 WeakPolarHBondContact O-CB 3.34Å; R479-L483 PolarHBondContact O-N 2.82Å
480	R	42.2	Very low	46.1	Very low	151 Å²	151	102.5 Å²	102.5	57%	0.57	55%	0.548	S	S	*	.	H	α-helix	trans	-63.4	-46.5	174.2	-78.1	168	176	-167.6	-3.2	111.5	I476 G477 I478 L483 V484	I476-R480 HydrophobicContact CG2-CG 4.37Å; I476-R480 WeakPolarHBondContact O-CB 3.39Å; I476-R480 VanDerWaalsContact O-CG 3.22Å; I476-R480 WeakPolarHBondContact O-CG 3.34Å; I476-R480 PolarHBondContact O-N 2.64Å; G477-R480 PolarHBondContact O-N 3.33Å; I478-R480 VanDerWaalsContact C-N 3.26Å; I478-R480 PolarHBondContact O-N 2.94Å; R480-L483 PolarHBondContact O-N 3.21Å; R480-V484 WeakPolarHBondContact O-CG2 3.35Å; R480-V484 PolarHBondContact O-N 3.18Å
481	L	52.7	Low	45.9	Very low	108 Å²	108	99.3 Å²	99.3	57%	0.565	55%	0.547	S	S	*	.	H	α-helix	trans	-65.8	-43.5	178.2	-175.2	61.8	0	0	0	111.6	G477 I478 L483 V484 N485	G477-L481 PolarHBondContact O-N 3.39Å; I478-L481 PolarHBondContact O-N 3.19Å; I478-L481 VanDerWaalsContact O-N 3.08Å; L481-L483 VanDerWaalsContact C-N 3.32Å; L481-L483 PolarHBondContact O-N 3.39Å; L481-V484 PolarHBondContact O-N 2.85Å; L481-N485 WeakPolarHBondContact O-CB 3.29Å; L481-N485 PolarHBondContact O-N 3.08Å; L481-N485 PolarHBondContact O-ND2 3.27Å
482	D	55.4	Low	45.4	Very low	96 Å²	96	102 Å²	102	51%	0.513	55%	0.553	S	S	.	*	H	α-helix	trans	-62.6	-36.3	175.3	-77.5	-20.2	0	0	0	112.4	I478 N485 S486	I478-D482 PolarHBondContact O-N 3.11Å; D482-N485 PolarHBondContact O-N 2.92Å; D482-S486 VanDerWaalsContact O-CB 3.27Å; D482-S486 WeakPolarHBondContact O-CB 3.24Å; D482-S486 PolarHBondContact O-N 3.46Å; D482-S486 PolarHBondContact O-OG 3.42Å
483	L	51.8	Low	44.7	Very low	84 Å²	84	107.1 Å²	107.1	44%	0.44	57%	0.574	S	S	.	*	H	α-helix	trans	-62.8	-50.3	175.1	-167	77.8	0	0	0	111.1	R479 R480 L481 N485 S486 I487	R479-L483 WeakPolarHBondContact O-CB 3.34Å; R479-L483 PolarHBondContact O-N 2.82Å; R480-L483 PolarHBondContact O-N 3.21Å; L481-L483 VanDerWaalsContact C-N 3.32Å; L481-L483 PolarHBondContact O-N 3.39Å; L483-N485 VanDerWaalsContact C-N 3.32Å; L483-N485 PolarHBondContact O-N 3.1Å; L483-S486 PolarHBondContact O-N 3.07Å; L483-S486 VanDerWaalsContact O-N 3.07Å; L483-S486 PolarHBondContact O-OG 3.08Å; L483-I487 HydrophobicContact CG-CD1 4.18Å; L483-I487 WeakPolarHBondContact O-CG1 3.4Å; L483-I487 PolarHBondContact O-N 3.26Å; L483-I487 VanDerWaalsContact O-N 3.08Å
484	V	51.8	Low	44.3	Very low	88 Å²	88	104.9 Å²	104.9	53%	0.533	57%	0.574	S	S	.	*	H	α-helix	trans	-58.4	-44	177.2	172.6	0	0	0	0	111.2	R480 L481 S486 I487 N488	R480-V484 WeakPolarHBondContact O-CG2 3.35Å; R480-V484 PolarHBondContact O-N 3.18Å; L481-V484 PolarHBondContact O-N 2.85Å; V484-S486 VanDerWaalsContact C-N 3.32Å; V484-S486 PolarHBondContact O-N 2.89Å; V484-I487 PolarHBondContact O-N 3.29Å; V484-N488 PolarHBondContact O-N 3.01Å
485	N	46.2	Very low	43.6	Very low	91 Å²	91	106.7 Å²	106.7	49%	0.487	58%	0.584	S	S	.	*	H	α-helix	trans	-64.8	-34.3	175.6	-68.1	-25.3	0	0	0	112.6	L481 D482 L483 N488	L481-N485 WeakPolarHBondContact O-CB 3.29Å; L481-N485 PolarHBondContact O-N 3.08Å; L481-N485 PolarHBondContact O-ND2 3.27Å; D482-N485 PolarHBondContact O-N 2.92Å; L483-N485 VanDerWaalsContact C-N 3.32Å; L483-N485 PolarHBondContact O-N 3.1Å; N485-N488 CarbonylContact O-C 3.59Å; N485-N488 PolarHBondContact O-N 3.06Å
486	S	56.8	Low	42.6	Very low	66 Å²	66	111.5 Å²	111.5	46%	0.462	60%	0.599	S	S	.	*	H	α-helix	trans	-74.6	-23	179	76.5	0	0	0	0	114.2	D482 L483 V484	D482-S486 VanDerWaalsContact O-CB 3.27Å; D482-S486 WeakPolarHBondContact O-CB 3.24Å; D482-S486 PolarHBondContact O-N 3.46Å; D482-S486 PolarHBondContact O-OG 3.42Å; L483-S486 PolarHBondContact O-N 3.07Å; L483-S486 VanDerWaalsContact O-N 3.07Å; L483-S486 PolarHBondContact O-OG 3.08Å; V484-S486 VanDerWaalsContact C-N 3.32Å; V484-S486 PolarHBondContact O-N 2.89Å
487	I	47.2	Very low	41.8	Very low	114 Å²	114	116.9 Å²	116.9	59%	0.585	63%	0.628	S	S	*	*	H	α-helix	trans	-79.2	-22.7	175.1	-67.3	163.8	0	0	0	111.2	L483 V484 P489	L483-I487 HydrophobicContact CG-CD1 4.18Å; L483-I487 WeakPolarHBondContact O-CG1 3.4Å; L483-I487 PolarHBondContact O-N 3.26Å; L483-I487 VanDerWaalsContact O-N 3.08Å; V484-I487 PolarHBondContact O-N 3.29Å; I487-P489 WeakPolarHBondContact O-CD 3.49Å
488	N	39.9	Very low	41.1	Very low	118 Å²	118	122.5 Å²	122.5	63%	0.631	64%	0.644	S	S	*	*			trans	-110.9	61.7	173.5	-86.9	-43.2	0	0	0	113.5	V484 N485 G490 G491	V484-N488 PolarHBondContact O-N 3.01Å; N485-N488 CarbonylContact O-C 3.59Å; N485-N488 PolarHBondContact O-N 3.06Å; N488-G490 PolarHBondContact O-N 3.07Å; N488-G491 PolarHBondContact O-N 3.38Å
489	P	35.5	Very low	39.9	Very low	118 Å²	118	120.9 Å²	120.9	77%	0.766	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	57.5	-179.3	36.9	-38.2	0	0	0	112.1	I487	I487-P489 WeakPolarHBondContact O-CD 3.49Å
490	G	37.4	Very low	39.2	Very low	70 Å²	70	122.9 Å²	122.9	72%	0.722	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-170.5	-22.9	-177.1	0	0	0	0	0	114.2	N488 K492	N488-G490 PolarHBondContact O-N 3.07Å; G490-K492 PolarHBondContact O-N 3.5Å
491	G	33.5	Very low	38.5	Very low	66 Å²	66	123.5 Å²	123.5	68%	0.68	67%	0.673	S	S	*	*			trans	-72.7	57.6	-179.1	0	0	0	0	0	114.9	N488 F493	N488-G491 PolarHBondContact O-N 3.38Å; G491-F493 PolarHBondContact O-N 2.81Å
492	K	34	Very low	37.5	Very low	178 Å²	178	124.3 Å²	124.3	77%	0.774	68%	0.678	S	S	*	*			trans	-71	118.2	158.9	-76.1	-174.5	178.2	178.8	0	107.9	G490 T494	G490-K492 PolarHBondContact O-N 3.5Å; K492-T494 VanDerWaalsContact C-N 3.32Å; K492-T494 HydrophobicContact CB-CG2 4.46Å; K492-T494 PolarHBondContact O-N 3.04Å
493	F	28.2	Very low	36.2	Very low	211 Å²	211	126.6 Å²	126.6	93%	0.925	69%	0.69	S	S	*	*			trans	-61.7	101.2	154.7	-88.1	-101.5	0	0	0	107.7	G491	G491-F493 PolarHBondContact O-N 2.81Å
494	T	32	Very low	35.3	Very low	113 Å²	113	128.1 Å²	128.1	69%	0.693	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-102.8	124.8	157.9	45.7	0	0	0	0	106.5	K492	K492-T494 VanDerWaalsContact C-N 3.32Å; K492-T494 HydrophobicContact CB-CG2 4.46Å; K492-T494 PolarHBondContact O-N 3.04Å
495	D	32.1	Very low	34.3	Very low	152 Å²	152	130.4 Å²	130.4	81%	0.813	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-57.6	151.5	177.4	-60.7	-67.8	0	0	0	111.2
496	Y	25.2	Very low	33.6	Very low	207 Å²	207	135.3 Å²	135.3	81%	0.812	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-59.1	138.2	177.7	-86.1	-114.9	0	0	0	111	H498	Y496-H498 AromaticContact CD1-NE2 3.82Å
497	D	31	Very low	32.3	Very low	159 Å²	159	139.1 Å²	139.1	85%	0.85	73%	0.734	S	S	*	*			trans	-137.8	156.2	137	-146.7	-19.2	0	0	0	109.7
498	H	30.3	Very low	31.6	Very low	155 Å²	155	144.1 Å²	144.1	72%	0.718	75%	0.747	S	S	*	*			trans	-105.4	145.8	-166.6	-71.5	-98.7	0	0	0	113.3	Y496	Y496-H498 AromaticContact CD1-NE2 3.82Å
499	G	28.8	Very low	31.1	Very low	63 Å²	63	143.6 Å²	143.6	65%	0.649	75%	0.745	S	S	*	*			trans	117.8	141.8	143.6	0	0	0	0	0	117.4
500	H	31.6	Very low	30.9	Very low	172 Å²	172	144.5 Å²	144.5	80%	0.796	75%	0.748	S	S	*	*			trans	65.3	145	156.3	-63.4	-68.4	0	0	0	120.2
501	F	26.7	Very low	30.5	Very low	164 Å²	164	149.9 Å²	149.9	72%	0.719	75%	0.754	S	S	*	*			cis	-166.8	173.6	-34.2	-134.3	-131.1	0	0	0	108
502	D	31.4	Very low	30.5	Very low	125 Å²	125	151.5 Å²	151.5	67%	0.668	75%	0.753	S	S	*	*			trans	55.7	114.1	159.3	-63.3	-17.5	0	0	0	122.2
503	D	29.1	Very low	30.3	Very low	144 Å²	144	151.6 Å²	151.6	77%	0.77	76%	0.761	S	S	*	*				44.3	133	119.3	-77.5	18.1	0	0	0	122.3
504	T	32	Very low	30.3	Very low	117 Å²	117	147 Å²	147	72%	0.718	76%	0.755	S	S	*	*				-176.1	150	105.1	25.7	0	0	0	0	113.6
505	V	31.9	Very low	30.1	Very low	136 Å²	136	150 Å²	150	82%	0.824	76%	0.763	S	S	*	*			trans	72.5	142.3	167.1	-157.2	0	0	0	0	118.1
506	R	30.4	Very low	29.8	Very low	193 Å²	193	151 Å²	151	73%	0.728	76%	0.763	S	S	*	*				-179	135.2	-62.2	-102.5	-168.3	175.5	-142.4	2.6	110.3
507	Y	31.1	Very low	30	Very low	147 Å²	147	149 Å²	149	58%	0.576	76%	0.759	S	S	*	*			trans	69.1	149.7	156.4	-69.1	-136.4	0	0	0	116.4
508	Y	31	Very low	29.9	Very low	219 Å²	219	148.9 Å²	148.9	86%	0.859	75%	0.753	S	S	*	*			cis	-123.8	150.7	3.7	-62	-107.9	0	0	0	109.9
509	N	29.5	Very low	29.9	Very low	107 Å²	107	146.4 Å²	146.4	57%	0.572	75%	0.751	S	S	*	*			cis	107.7	67.3	4.3	-155.6	111	0	0	0	117.3
510	T	32.5	Very low	30	Very low	137 Å²	137	150.6 Å²	150.6	84%	0.84	75%	0.753	S	S	*	*			trans	-141.9	129.1	153.8	35	0	0	0	0	108.5
511	E	28.7	Very low	29.8	Very low	182 Å²	182	150.4 Å²	150.4	85%	0.85	75%	0.752	S	S	*	*			cis	-137	138.6	-17.4	-67.3	-173.4	116.5	0	0	109
512	P	32.1	Very low	29.8	Very low	100 Å²	100	146.5 Å²	146.5	65%	0.649	75%	0.745	S	S	*	*			trans	-127	129.8	166.7	35.5	-22.1	0	0	0	113
513	L	31	Very low	29.6	Very low	180 Å²	180	150.6 Å²	150.6	94%	0.942	75%	0.753	S	S	*	*			trans	-129.2	108.1	166	-82.6	175.5	0	0	0	111.5
514	S	27.2	Very low	29.7	Very low	115 Å²	115	149 Å²	149	80%	0.804	75%	0.748	S	S	*	*			trans	-86.5	132.4	167.1	52.3	0	0	0	0	110.6
515	M	29	Very low	29.6	Very low	176 Å²	176	151.1 Å²	151.1	87%	0.867	75%	0.752	S	S	*	*			trans	-106.6	116.5	160.2	-80.8	-127.2	-68.5	0	0	110.9
516	Q	26.1	Very low	29.5	Very low	173 Å²	173	155 Å²	155	81%	0.808	75%	0.752	S	S	*	*			trans	-91.5	104.6	179.2	170.3	-164	-13.1	0	0	109.9
517	F	28	Very low	29.3	Very low	166 Å²	166	150.1 Å²	150.1	73%	0.728	75%	0.748	S	S	*	*			trans	-138.7	100.2	161.1	-84.1	-81	0	0	0	108.5
518	Q	29.8	Very low	29.4	Very low	156 Å²	156	149.5 Å²	149.5	73%	0.729	75%	0.75	S	S	*	*				81.1	121.9	90.7	-81.8	-164.5	0.2	0	0	113.3
519	P	30	Very low	29.5	Very low	103 Å²	103	147.6 Å²	147.6	67%	0.669	74%	0.741	S	S	*	*			trans	-76.4	178.4	160.1	35.8	-34	0	0	0	110.6
520	H	30.7	Very low	29.5	Very low	151 Å²	151	152 Å²	152	70%	0.699	75%	0.75	S	S	*	*			trans	99.7	118.4	175.8	-63.9	-80.1	0	0	0	116.8
521	H	28.5	Very low	29.2	Very low	168 Å²	168	152.3 Å²	152.3	78%	0.778	75%	0.745	S	S	*	*			trans	57.1	143.8	135.8	-53.6	-39.8	0	0	0	120.4
522	S	25.6	Very low	29.2	Very low	81 Å²	81	151.2 Å²	151.2	57%	0.566	74%	0.742	S	S	*	*			cis	-176.7	170	-10.2	46.4	0	0	0	0	110.2
523	Y	27.3	Very low	29	Very low	212 Å²	212	151.1 Å²	151.1	83%	0.831	74%	0.743	S	S	*	*			trans	71.1	157.8	172.3	-60.9	-75.6	0	0	0	115.8
524	T	30.8	Very low	29.2	Very low	110 Å²	110	147.9 Å²	147.9	68%	0.675	73%	0.733	S	S	*	*			cis	-147.6	145.3	18.6	-23.8	0	0	0	0	113.3
525	M	29.7	Very low	29.2	Very low	162 Å²	162	148.3 Å²	148.3	80%	0.798	73%	0.731	S	S	*	*			trans	62.5	142.4	161.8	-58	-45.2	172.5	0	0	118.3
526	R	29.9	Very low	29.1	Very low	216 Å²	216	144.8 Å²	144.8	82%	0.815	72%	0.724	S	S	*	*			cis	-145.4	125.4	-1.9	-113.7	174.1	171.5	156.2	-4.2	106.1
527	S	28	Very low	29.3	Very low	92 Å²	92	143.9 Å²	143.9	64%	0.643	72%	0.724	S	S	*	*				58.8	124.1	95.9	86.6	0	0	0	0	113.7
528	E	33.1	Very low	29.4	Very low	133 Å²	133	141.4 Å²	141.4	62%	0.621	72%	0.718	S	S	*	*			cis	-154.8	149.3	36	-80.8	-150.7	125.7	0	0	115.5
529	R	32	Very low	29.6	Very low	180 Å²	180	143.7 Å²	143.7	68%	0.679	72%	0.72	S	S	*	*			trans	51.8	147.3	140.8	-57.4	171.7	-160.2	-152.3	13.2	120.9
530	R	28.7	Very low	29.8	Very low	199 Å²	199	147 Å²	147	75%	0.751	72%	0.719	S	S	*	*			cis	-165.4	135.1	-17	-106.5	-175.9	-171.9	-177.7	2.6	108.7
531	I	27.1	Very low	29.8	Very low	144 Å²	144	149 Å²	149	74%	0.738	72%	0.722	S	S	*	*			trans	42.6	144.9	136	-30	167.3	0	0	0	120.7
532	M	29.7	Very low	30.2	Very low	159 Å²	159	146 Å²	146	78%	0.783	72%	0.717	S	S	*	*			trans	93.7	97.6	160.4	-52.3	-161.1	76.9	0	0	115.3
533	S	26.9	Very low	30.4	Very low	98 Å²	98	149.6 Å²	149.6	69%	0.685	73%	0.725	S	S	*	*				72.9	150.5	76.4	76.1	0	0	0	0	114.1
534	P	36.3	Very low	30.7	Very low	112 Å²	112	146.7 Å²	146.7	73%	0.727	72%	0.719	S	S	*	*			trans	-95.1	-174.3	-141.1	37.5	-39.1	0	0	0	116.2
535	T	26.7	Very low	30.9	Very low	124 Å²	124	150.7 Å²	150.7	76%	0.761	72%	0.723	S	S	*	*			trans	99.2	125.1	164.1	70.5	0	0	0	0	118.8
536	S	26.6	Very low	31.2	Very low	102 Å²	102	148.1 Å²	148.1	71%	0.713	71%	0.713	S	S	*	*			trans	75.5	159.1	143.4	78.2	0	0	0	0	120.8
537	L	29.6	Very low	31.3	Very low	154 Å²	154	143.9 Å²	143.9	81%	0.806	70%	0.702	S	S	*	*			trans	66	101.9	168.5	-54.8	174.9	0	0	0	115.7
538	D	30.1	Very low	31.6	Very low	114 Å²	114	148.1 Å²	148.1	61%	0.61	71%	0.705	S	S	*	*				68	109.9	72.7	177.3	36.9	0	0	0	114
539	R	34.2	Very low	31.6	Very low	204 Å²	204	151.3 Å²	151.3	77%	0.77	71%	0.713	S	S	*	*			trans	-157.8	113.3	132.7	-99.2	141.1	-162.3	-129.3	5.8	111.8
540	R	34.5	Very low	31.4	Very low	172 Å²	172	148 Å²	148	65%	0.649	72%	0.717	S	S	*	*				49.5	137.6	121.6	-55.1	173.1	-156.8	-177.4	1.9	118
541	Y	31.4	Very low	31.9	Very low	193 Å²	193	144 Å²	144	76%	0.757	72%	0.72	S	S	*	*			cis	-179.6	-177.7	-2.5	-117.5	-74.3	0	0	0	104.7
542	P	35.5	Very low	32.2	Very low	105 Å²	105	142 Å²	142	68%	0.682	72%	0.716	S	S	*	*			cis	-94.9	171	-42.6	3.8	21	0	0	0	111.4
543	Q	29.8	Very low	32.4	Very low	156 Å²	156	139.6 Å²	139.6	73%	0.729	70%	0.703	S	S	*	*				60.8	118	65.9	-130.2	169.1	-29.8	0	0	110.9
544	E	35	Very low	32.6	Very low	151 Å²	151	139.4 Å²	139.4	71%	0.706	71%	0.707	S	S	*	*				-172.4	149.5	76.5	-111.3	-176.9	-167.7	0	0	114
545	Y	34.6	Very low	32.3	Very low	195 Å²	195	142.3 Å²	142.3	77%	0.765	70%	0.704	S	S	*	*			trans	51.5	137.6	161.8	-68	-85.9	0	0	0	121.3
546	D	35.6	Very low	32.5	Very low	107 Å²	107	143.8 Å²	143.8	57%	0.572	70%	0.696	S	S	*	*			cis	-167.3	170.1	-17.3	-146.2	-11.1	0	0	0	113.4
547	Q	31.6	Very low	32.8	Very low	128 Å²	128	144.3 Å²	144.3	60%	0.598	69%	0.694	S	S	*	*			trans	44.9	132.4	147.5	-79.4	166.6	52.8	0	0	121.4
548	Y	34.1	Very low	32.6	Very low	180 Å²	180	144.3 Å²	144.3	71%	0.706	69%	0.69	S	S	*	*			cis	-148.4	142.6	12	-100.4	-82	0	0	0	112.9
549	Y	32.7	Very low	32.6	Very low	200 Å²	200	141.7 Å²	141.7	78%	0.784	68%	0.678	S	S	*	*			trans	23.9	123.6	140.9	-71.2	-111.2	0	0	0	120.4
550	S	29.6	Very low	32.3	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	67%	0.669	S	S	*	*				88.6	127.2	51.9	-63.5	0	0	0	0	115.7
551	S	39.2	Very low	31.9	Very low	116 Å²	116	134.8 Å²	134.8	81%	0.811	66%	0.659	S	S	*	*			trans	-74.2	162	172.8	175	0	0	0	0	112.9
552	P	33.2	Very low	31.8	Very low	101 Å²	101	130.8 Å²	130.8	66%	0.656	64%	0.643	S	S	*	*			trans	-144.7	156.5	133.3	38.2	-24.1	0	0	0	117.2
553	E	33.5	Very low	31.6	Very low	110 Å²	110	129.7 Å²	129.7	51%	0.514	63%	0.634	S	S	.	*			trans	64.2	134.5	142	-88.9	32.2	-151.4	0	0	121.3	R555	E553-R555 VanDerWaalsContact CD-NH2 3.34Å; E553-R555 HydrophobicContact CG-CB 4.23Å; E553-R555 HydrophobicContact CG-CG 4.2Å; E553-R555 IonicContact OE1-CZ 3.65Å; E553-R555 IonicContact OE1-NE 3.73Å; E553-R555 PolarHBondContact OE1-NE 3.11Å; E553-R555 IonicContact OE1-NH2 2.76Å; E553-R555 PolarHBondContact OE1-NH2 2.94Å
554	A	30	Very low	31.6	Very low	93 Å²	93	127.9 Å²	127.9	77%	0.769	63%	0.63	S	S	*	*			cis	66.3	70	1.5	0	0	0	0	0	118.8
555	R	30.8	Very low	31.2	Very low	174 Å²	174	129.3 Å²	129.3	66%	0.657	63%	0.63	S	S	*	*			trans	-159.8	120.9	164.7	-112.2	171.1	-119.5	-171	-1.8	116.3	E553	E553-R555 VanDerWaalsContact CD-NH2 3.34Å; E553-R555 HydrophobicContact CG-CB 4.23Å; E553-R555 HydrophobicContact CG-CG 4.2Å; E553-R555 IonicContact OE1-CZ 3.65Å; E553-R555 IonicContact OE1-NE 3.73Å; E553-R555 PolarHBondContact OE1-NE 3.11Å; E553-R555 IonicContact OE1-NH2 2.76Å; E553-R555 PolarHBondContact OE1-NH2 2.94Å
556	R	31.8	Very low	31.1	Very low	155 Å²	155	125.3 Å²	125.3	59%	0.585	63%	0.628	S	S	*	*			trans	68.2	136.8	158	-56.7	172.8	-175.2	134.2	0.8	118.1
557	V	31.2	Very low	31	Very low	113 Å²	113	125.9 Å²	125.9	69%	0.685	64%	0.635	S	S	*	*			cis	87.5	110.4	5.5	-167.1	0	0	0	0	118.2
558	Q	26.9	Very low	30.9	Very low	153 Å²	153	130.5 Å²	130.5	72%	0.715	65%	0.647	S	S	*	*			trans	61.4	139.9	157.7	-67	167.7	-1.7	0	0	117.8
559	T	30	Very low	30.7	Very low	59 Å²	59	127.2 Å²	127.2	36%	0.362	65%	0.648	S	S	.	*			cis	-155.6	150.6	31.5	23.7	0	0	0	0	111.9	L706	T559-L706 WeakPolarHBondContact CB-O 3.34Å; T559-L706 VanDerWaalsContact CG2-C 3.49Å; T559-L706 PolarHBondContact OG1-N 3.49Å; T559-L706 VanDerWaalsContact OG1-N 3.11Å; T559-L706 PolarHBondContact OG1-O 3.48Å
560	M	26.6	Very low	30.6	Very low	119 Å²	119	128.3 Å²	128.3	59%	0.586	65%	0.651	S	S	*	*				54.7	125.5	81.1	-57.4	-155.9	-74.6	0	0	119.1	E707 K708	M560-E707 CarbonylContact C-O 3.49Å; M560-E707 WeakPolarHBondContact CB-O 3.35Å; M560-E707 CarbonylContact O-C 3.6Å; M560-E707 PolarHBondContact O-N 3.39Å; M560-E707 VanDerWaalsContact O-N 3.15Å; M560-K708 VanDerWaalsContact SD-CA 3.6Å
561	R	27.7	Very low	30.5	Very low	113 Å²	113	129.8 Å²	129.8	43%	0.426	65%	0.649	S	S	.	*			trans	162.1	144.5	140.2	-155.3	124.8	-107.9	-165.4	8	112.8	E707 K708 S709	R561-E707 WeakPolarHBondContact CA-O 3.42Å; R561-E707 WeakPolarHBondContact CB-O 3.03Å; R561-E707 WeakPolarHBondContact CD-O 3.19Å; R561-E707 WeakPolarHBondContact CG-O 3.27Å; R561-E707 VanDerWaalsContact CZ-CB 3.41Å; R561-E707 VanDerWaalsContact CZ-CD 3.5Å; R561-E707 IonicContact CZ-OE1 3.29Å; R561-E707 IonicContact CZ-OE2 2.65Å; R561-E707 VanDerWaalsContact CZ-OE2 3.29Å; R561-E707 PolarHBondContact N-O 3.31Å; R561-E707 PolarHBondContact NE-O 2.9Å; R561-E707 IonicContact NH1-OE1 2.72Å; R561-E707 IonicContact NH1-OE2 2.74Å; R561-E707 PolarHBondContact NH1-OE2 2.87Å; R561-E707 IonicContact NH2-OE1 3.21Å; R561-E707 PolarHBondContact NH2-OE1 3.11Å; R561-E707 IonicContact NH2-OE2 3.16Å; R561-E707 PolarHBondContact NH2-OE2 2.93Å; R561-K708 WeakPolarHBondContact CA-O 3.42Å; R561-K708 VanDerWaalsContact NH2-CG 3.26Å; R561-S709 CarbonylContact C-O 3.57Å; R561-S709 WeakPolarHBondContact CA-O 3.46Å; R561-S709 PolarHBondContact N-O 3.06Å
562	Y	29.3	Very low	30	Very low	109 Å²	109	135 Å²	135	43%	0.427	65%	0.653	S	S	.	*			cis	-151	-177.8	-16.1	-135.3	-37.2	0	0	0	111.3	K708 S709	Y562-K708 WeakPolarHBondContact CA-O 3.22Å; Y562-K708 WeakPolarHBondContact CD1-O 3.4Å; Y562-K708 HydrophobicContact CE1-CB 4.2Å; Y562-K708 HydrophobicContact CE1-CD 4.39Å; Y562-S709 WeakPolarHBondContact CA-O 3.42Å; Y562-S709 WeakPolarHBondContact CD1-OG 3.3Å; Y562-S709 PolarHBondContact N-O 3.24Å
563	T	29.6	Very low	29.6	Very low	81 Å²	81	137 Å²	137	50%	0.497	65%	0.653	S	S	.	*			trans	61.7	139.3	149.6	48.1	0	0	0	0	120
564	D	30.4	Very low	29.4	Very low	118 Å²	118	138 Å²	138	63%	0.631	67%	0.67	S	S	*	*			cis	-149.8	145.3	-4.8	-91.5	-36.4	0	0	0	109.6
565	Y	27.5	Very low	29.2	Very low	181 Å²	181	137.6 Å²	137.6	71%	0.71	66%	0.658	S	S	*	*				56.9	146.3	78.3	-80.9	-84.3	0	0	0	115.2
566	P	32.6	Very low	29.2	Very low	112 Å²	112	139.1 Å²	139.1	73%	0.727	67%	0.665	S	S	*	*			cis	-83.5	-168.3	9.8	37.8	-38.8	0	0	0	114.2
567	T	33.2	Very low	29.1	Very low	118 Å²	118	138.9 Å²	138.9	72%	0.724	67%	0.67	S	S	*	*			cis	-153.8	-170.3	13.2	-23.9	0	0	0	0	112.5
568	R	28.9	Very low	28.7	Very low	226 Å²	226	138.9 Å²	138.9	85%	0.853	68%	0.675	S	S	*	*			trans	-136.3	-174.7	170.5	-86.2	-177.5	167.4	-162.8	-1.5	108.5
569	P	31.1	Very low	28.9	Very low	111 Å²	111	136.1 Å²	136.1	72%	0.721	68%	0.678	S	S	*	*			cis	-114.4	-159.2	-13.4	32.9	-11.5	0	0	0	109.9
570	R	29.7	Very low	28.7	Very low	223 Å²	223	140 Å²	140	84%	0.842	70%	0.703	S	S	*	*			cis	-129.1	160.2	-0	-58.1	173.1	173.4	134.5	0.3	107.2
571	L	28.1	Very low	28.8	Very low	140 Å²	140	142.6 Å²	142.6	73%	0.733	72%	0.718	S	S	*	*			cis	72.9	97.1	35.8	-122.3	174.1	0	0	0	115.2
572	Y	27.4	Very low	28.7	Very low	227 Å²	227	141.7 Å²	141.7	89%	0.89	73%	0.729	S	S	*	*			trans	-151.2	113.3	157	-123.6	-79.8	0	0	0	109.2
573	Q	25.7	Very low	28.5	Very low	141 Å²	141	145.1 Å²	145.1	66%	0.659	75%	0.746	S	S	*	*			trans	-100.5	146.9	164.4	-77.7	174.1	-64.3	0	0	108.8	T575	Q573-T575 PolarHBondContact NE2-OG1 3.03Å
574	P	28.5	Very low	28.5	Very low	133 Å²	133	147.1 Å²	147.1	86%	0.864	75%	0.754	S	S	*	*			trans	-101.2	96.2	145.5	25.6	-10.2	0	0	0	108.3
575	T	25.4	Very low	28.3	Very low	84 Å²	84	148.4 Å²	148.4	52%	0.515	76%	0.756	S	S	.	*			trans	-114.7	100.5	174.2	-60.8	0	0	0	0	109.6	Q573	Q573-T575 PolarHBondContact NE2-OG1 3.03Å
576	Y	31	Very low	28.3	Very low	206 Å²	206	149.1 Å²	149.1	81%	0.808	76%	0.759	S	S	*	*			trans	-138.9	105.7	159.4	-77.1	-76.6	0	0	0	105.7
577	Q	29.7	Very low	28.3	Very low	149 Å²	149	150.9 Å²	150.9	70%	0.696	76%	0.763	S	S	*	*				61.5	93.8	86	-69.1	-178.8	-27	0	0	110.4
578	S	23.9	Very low	28.1	Very low	113 Å²	113	152.5 Å²	152.5	79%	0.79	76%	0.761	S	S	*	*				66.8	90.7	72.5	77.8	0	0	0	0	112.7
579	A	29.7	Very low	28.3	Very low	95 Å²	95	150.8 Å²	150.8	79%	0.785	76%	0.763	S	S	*	*			trans	-134	89.2	165.9	0	0	0	0	0	108.4	L581	A579-L581 PolarHBondContact O-N 2.81Å
580	T	26.4	Very low	28.1	Very low	142 Å²	142	155.9 Å²	155.9	87%	0.871	77%	0.769	S	S	*	*			trans	-71.5	106.6	165.7	44.5	0	0	0	0	108.6
581	L	29.3	Very low	28.3	Very low	172 Å²	172	152.7 Å²	152.7	90%	0.901	77%	0.769	S	S	*	*			trans	-127.5	117.7	162.1	-79.5	174.8	0	0	0	108.7	A579	A579-L581 PolarHBondContact O-N 2.81Å
582	S	24.9	Very low	28.4	Very low	95 Å²	95	153.9 Å²	153.9	66%	0.664	78%	0.776	S	S	*	*			trans	-97.1	-180	175.7	44.3	0	0	0	0	110.6
583	F	25.4	Very low	28.4	Very low	180 Å²	180	146.1 Å²	146.1	79%	0.789	77%	0.765	S	S	*	*			trans	84.7	118.1	172.3	-67.6	-88	0	0	0	118.1
584	N	29.6	Very low	28.4	Very low	124 Å²	124	146.3 Å²	146.3	66%	0.663	78%	0.776	S	S	*	*			trans	87.5	105.9	139.8	-62	7.2	0	0	0	120.6
585	E	27.5	Very low	28.3	Very low	145 Å²	145	148 Å²	148	68%	0.678	78%	0.777	S	S	*	*				37.8	132.2	98.1	-79.7	-170.9	129.6	0	0	119
586	Y	27.5	Very low	28.4	Very low	195 Å²	195	153 Å²	153	77%	0.765	79%	0.791	S	S	*	*			trans	48.8	113.9	165.5	-56.5	-75.4	0	0	0	115.4
587	D	31.3	Very low	28.3	Very low	150 Å²	150	149.2 Å²	149.2	80%	0.802	79%	0.792	S	S	*	*				-154.5	170.3	67.1	-138.7	-30.8	0	0	0	114.9
588	H	29.9	Very low	28.1	Very low	151 Å²	151	153.7 Å²	153.7	70%	0.699	80%	0.803	S	S	*	*			trans	-74.7	144.7	169.6	-64.8	-85.1	0	0	0	111.4
589	H	32.4	Very low	28.2	Very low	191 Å²	191	159.6 Å²	159.6	88%	0.884	81%	0.808	S	S	*	*				-166.9	142.3	124.6	-93.5	-49.8	0	0	0	111.6
590	Y	27.8	Very low	28.2	Very low	217 Å²	217	160.3 Å²	160.3	85%	0.851	80%	0.804	S	S	*	*			trans	-69.3	141.2	170.1	-76.5	-113.6	0	0	0	110.4
591	N	33.3	Very low	28.3	Very low	156 Å²	156	163 Å²	163	83%	0.834	80%	0.804	S	S	*	*				-166.7	155	128.4	-106.8	-51.9	0	0	0	114.3
592	N	29.1	Very low	28.3	Very low	165 Å²	165	161.8 Å²	161.8	88%	0.882	80%	0.797	S	S	*	*			trans	-61.2	126.5	-169	-63.3	-58.3	0	0	0	114.6
593	G	28.9	Very low	28.5	Very low	65 Å²	65	164 Å²	164	67%	0.67	80%	0.8	S	S	*	*			trans	-147.7	101.4	174.6	0	0	0	0	0	113.6	L595	G593-L595 PolarHBondContact O-N 3.19Å
594	T	24.2	Very low	28.8	Very low	145 Å²	145	160.9 Å²	160.9	89%	0.89	80%	0.796	S	S	*	*			trans	-77.8	88.1	-172.7	-42.2	0	0	0	0	113.2	K596	T594-K596 PolarHBondContact O-N 3.33Å
595	L	27.1	Very low	28.8	Very low	168 Å²	168	162.1 Å²	162.1	88%	0.88	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-79.2	118	175.6	-72.1	173.4	0	0	0	112.2	G593	G593-L595 PolarHBondContact O-N 3.19Å
596	K	26.8	Very low	28.8	Very low	188 Å²	188	165.7 Å²	165.7	82%	0.817	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-70.6	138.5	178.6	-64	175	-177.9	173.9	0	110.8	T594 R598	T594-K596 PolarHBondContact O-N 3.33Å; K596-R598 PolarHBondContact O-N 3.39Å; K596-R598 VanDerWaalsContact O-N 3.14Å
597	P	29.3	Very low	28.7	Very low	127 Å²	127	166.1 Å²	166.1	83%	0.825	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-62.2	118.2	176	25	-33.4	0	0	0	110.6	R599	P597-R599 PolarHBondContact O-N 3.43Å
598	R	26.4	Very low	28.6	Very low	243 Å²	243	168.2 Å²	168.2	92%	0.917	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-61.7	123.7	170.4	-89	178.8	164.6	155.7	-4.1	108.6	K596 P600	K596-R598 PolarHBondContact O-N 3.39Å; K596-R598 VanDerWaalsContact O-N 3.14Å; R598-P600 WeakPolarHBondContact O-CD 3.4Å
599	R	26.3	Very low	28.5	Very low	237 Å²	237	165.4 Å²	165.4	89%	0.894	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-58.7	124	165.6	-71.1	-178	177.6	172.5	-1	108.1	P597 K601	P597-R599 PolarHBondContact O-N 3.43Å; R599-K601 PolarHBondContact O-N 3.07Å
600	P	28.9	Very low	28.6	Very low	110 Å²	110	161.6 Å²	161.6	71%	0.714	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-61.3	131.6	171.4	25.5	-32.6	0	0	0	108.6	R598 I602	R598-P600 WeakPolarHBondContact O-CD 3.4Å; P600-I602 PolarHBondContact O-N 2.94Å
601	K	29.2	Very low	28.6	Very low	198 Å²	198	157 Å²	157	86%	0.861	79%	0.786	S	S	*	*			trans	-70	102	167.2	-79.4	-175.8	176.6	179.6	0	107	R599 I603	R599-K601 PolarHBondContact O-N 3.07Å; K601-I603 VanDerWaalsContact C-N 3.33Å; K601-I603 PolarHBondContact O-N 3.21Å
602	I	29	Very low	28.6	Very low	148 Å²	148	154.4 Å²	154.4	76%	0.759	78%	0.776	S	S	*	*			trans	-62.7	101.2	166.2	-58.8	175.4	0	0	0	106.5	P600 T604	P600-I602 PolarHBondContact O-N 2.94Å; I602-T604 PolarHBondContact O-N 3.02Å
603	I	29.3	Very low	28.6	Very low	141 Å²	141	154 Å²	154	72%	0.723	76%	0.762	S	S	*	*			trans	-63.6	116.8	166.7	-64.9	177.1	0	0	0	105.2	K601 E605	K601-I603 VanDerWaalsContact C-N 3.33Å; K601-I603 PolarHBondContact O-N 3.21Å; I603-E605 VanDerWaalsContact C-N 3.26Å; I603-E605 PolarHBondContact O-N 3.27Å
604	T	31.9	Very low	28.8	Very low	115 Å²	115	157.6 Å²	157.6	71%	0.706	77%	0.766	S	S	*	*			trans	-74.8	87.3	178.6	-31	0	0	0	0	107.9	I602 R606	I602-T604 PolarHBondContact O-N 3.02Å; T604-R606 PolarHBondContact O-N 3.21Å
605	E	28.8	Very low	29.2	Very low	150 Å²	150	159.7 Å²	159.7	70%	0.701	76%	0.758	S	S	*	*			trans	-61.5	93.4	167.1	-68.6	-158.4	150.9	0	0	108.1	I603 Y607	I603-E605 VanDerWaalsContact C-N 3.26Å; I603-E605 PolarHBondContact O-N 3.27Å; E605-Y607 PolarHBondContact O-N 3.4Å
606	R	26.8	Very low	29.7	Very low	220 Å²	220	155 Å²	155	83%	0.83	74%	0.738	S	S	*	*			trans	-69.5	90.1	173.5	-71.5	-176.7	175.2	-170.5	-2.4	107	T604 K608	T604-R606 PolarHBondContact O-N 3.21Å; R606-K608 PolarHBondContact O-N 3.26Å
607	Y	25.5	Very low	30.7	Very low	203 Å²	203	152.6 Å²	152.6	80%	0.796	74%	0.742	S	S	*	*			trans	-51.1	93.7	157.5	-87	-92.8	0	0	0	107.6	E605 C609	E605-Y607 PolarHBondContact O-N 3.4Å; Y607-C609 VanDerWaalsContact C-N 3.3Å; Y607-C609 PolarHBondContact O-N 3.42Å
608	K	30.6	Very low	31.2	Very low	195 Å²	195	155.3 Å²	155.3	85%	0.848	74%	0.74	S	S	*	*			trans	-82.8	87.5	-176	-170.5	-176.9	-174.4	-173.8	0	105.3	R606 S610	R606-K608 PolarHBondContact O-N 3.26Å; K608-S610 PolarHBondContact O-N 3.42Å
609	C	27.1	Very low	31.7	Very low	92 Å²	92	151.6 Å²	151.6	62%	0.622	73%	0.731	S	S	*	*			trans	-46	107.6	175.2	-62.4	0	0	0	0	108.5	Y607 E611 V612	Y607-C609 VanDerWaalsContact C-N 3.3Å; Y607-C609 PolarHBondContact O-N 3.42Å; C609-E611 PolarHBondContact O-N 2.84Å; C609-E611 VanDerWaalsContact O-N 3.1Å; C609-V612 HydrophobicContact CB-CG2 4.04Å
610	S	34	Very low	32.4	Very low	110 Å²	110	144.8 Å²	144.8	77%	0.769	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	117.7	166.9	44.2	0	0	0	0	105.6	K608	K608-S610 PolarHBondContact O-N 3.42Å
611	E	28	Very low	32.9	Very low	122 Å²	122	149.3 Å²	149.3	57%	0.57	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.2	57.7	179.1	-40.2	-168.9	121	0	0	115.9	C609 Y613 R718	C609-E611 PolarHBondContact O-N 2.84Å; C609-E611 VanDerWaalsContact O-N 3.1Å; E611-Y613 PolarHBondContact O-N 3.07Å; E611-R718 IonicContact OE1-CZ 2.77Å; E611-R718 IonicContact OE1-NH1 2.64Å; E611-R718 PolarHBondContact OE1-NH1 2.8Å; E611-R718 IonicContact OE2-CZ 2.62Å; E611-R718 IonicContact OE2-NH1 3.11Å; E611-R718 PolarHBondContact OE2-NH1 3.41Å; E611-R718 IonicContact OE2-NH2 2.8Å; E611-R718 PolarHBondContact OE2-NH2 2.89Å
612	V	32.8	Very low	33.3	Very low	101 Å²	101	147.6 Å²	147.6	61%	0.612	73%	0.725	S	S	*	*			trans	-58.3	109	144.9	178.6	0	0	0	0	107.9	C609 N614	C609-V612 HydrophobicContact CB-CG2 4.04Å; V612-N614 VanDerWaalsContact C-N 3.32Å; V612-N614 PolarHBondContact O-N 3.39Å
613	Y	29.4	Very low	33.7	Very low	155 Å²	155	150.1 Å²	150.1	61%	0.608	73%	0.731	S	S	*	*			trans	-66.5	91.4	172.7	-112.2	-78.4	0	0	0	109.6	E611 W615	E611-Y613 PolarHBondContact O-N 3.07Å; Y613-W615 VanDerWaalsContact C-N 3.31Å; Y613-W615 PolarHBondContact O-N 3.43Å
614	N	33.4	Very low	34.1	Very low	141 Å²	141	154.8 Å²	154.8	75%	0.754	74%	0.739	S	S	*	*			trans	-65.3	94.4	165.8	-77.6	-28.8	0	0	0	108.4	V612	V612-N614 VanDerWaalsContact C-N 3.32Å; V612-N614 PolarHBondContact O-N 3.39Å
615	W	32.6	Very low	34.2	Very low	189 Å²	189	160.3 Å²	160.3	72%	0.716	75%	0.747	S	S	*	*			trans	-50.1	129.1	167.1	-78	89.3	0	0	0	108.8	Y613 P617 F619	Y613-W615 VanDerWaalsContact C-N 3.31Å; Y613-W615 PolarHBondContact O-N 3.43Å; W615-P617 WeakPolarHBondContact O-CD 3.19Å; W615-P617 VanDerWaalsContact O-N 3.14Å; W615-F619 HydrophobicContact CE3-CZ 4.28Å; W615-F619 HydrophobicContact CZ3-CE1 4.29Å; W615-F619 HydrophobicContact CZ3-CZ 4.05Å
616	P	37.5	Very low	34.4	Very low	69 Å²	69	162.5 Å²	162.5	45%	0.448	75%	0.754	S	S	.	*			trans	-61.2	122.7	-179.1	24.5	-33.1	0	0	0	108.3	K618	P616-K618 CarbonylContact O-C 3.59Å; P616-K618 PolarHBondContact O-N 2.77Å
617	P	48.3	Very low	35	Very low	139 Å²	139	157.9 Å²	157.9	90%	0.903	75%	0.751	S	S	*	*	S	Bend	trans	-66	-1.9	-171.3	25.2	-35	0	0	0	113.8	W615	W615-P617 WeakPolarHBondContact O-CD 3.19Å; W615-P617 VanDerWaalsContact O-N 3.14Å
618	K	38.6	Very low	35.2	Very low	183 Å²	183	154.8 Å²	154.8	80%	0.796	75%	0.748	S	S	*	*	S	Bend	trans	-133.7	118.1	161.4	-63.5	173.3	-175.4	169.5	0	106.6	P616	P616-K618 CarbonylContact O-C 3.59Å; P616-K618 PolarHBondContact O-N 2.77Å
619	F	38.6	Very low	35.3	Very low	166 Å²	166	150.4 Å²	150.4	73%	0.728	74%	0.74	S	S	*	*			trans	-50.3	135.9	168.1	-89.8	-90.6	0	0	0	109.3	W615 K621	W615-F619 HydrophobicContact CE3-CZ 4.28Å; W615-F619 HydrophobicContact CZ3-CE1 4.29Å; W615-F619 HydrophobicContact CZ3-CZ 4.05Å; F619-K621 PolarHBondContact O-N 2.74Å
620	P	40	Very low	35.7	Very low	93 Å²	93	152.3 Å²	152.3	60%	0.604	75%	0.751	S	S	*	*			trans	-52.7	127.3	169.6	-24.7	34	0	0	0	109	L622	P620-L622 PolarHBondContact O-N 2.66Å
621	K	39.2	Very low	35.8	Very low	205 Å²	205	156 Å²	156	89%	0.891	75%	0.753	S	S	*	*			trans	-67.4	83.6	169.4	-74.5	-176.5	178.4	178.1	0	107.7	F619 K623	F619-K621 PolarHBondContact O-N 2.74Å; K621-K623 PolarHBondContact O-N 3.41Å
622	L	37.8	Very low	35.9	Very low	162 Å²	162	157.6 Å²	157.6	85%	0.848	76%	0.761	S	S	*	*			trans	-50.4	107.4	170.5	-81.6	169.2	0	0	0	107	P620 R624	P620-L622 PolarHBondContact O-N 2.66Å; L622-R624 PolarHBondContact O-N 2.87Å
623	K	38.1	Very low	35.8	Very low	202 Å²	202	160.5 Å²	160.5	88%	0.878	77%	0.771	S	S	*	*			trans	-58.3	107.6	173.2	-73.6	-177.2	178	177.6	0	105.5	K621 R625	K621-K623 PolarHBondContact O-N 3.41Å; K623-R625 VanDerWaalsContact C-N 3.34Å; K623-R625 PolarHBondContact O-N 3.45Å
624	R	36.6	Very low	35.9	Very low	239 Å²	239	160.5 Å²	160.5	90%	0.902	78%	0.776	S	S	*	*			trans	-51.4	103.6	168.3	-88.8	-178.9	162.6	164.2	-5.6	106.5	L622 K626	L622-R624 PolarHBondContact O-N 2.87Å; R624-K626 PolarHBondContact O-N 3.07Å; R624-K626 VanDerWaalsContact O-N 3.08Å
625	R	34.5	Very low	35.8	Very low	231 Å²	231	160.7 Å²	160.7	87%	0.872	78%	0.783	S	S	*	*			trans	-55.9	119.2	162.9	-81.8	-172.8	168.7	-170.4	-3.4	104.5	K623 T627	K623-R625 VanDerWaalsContact C-N 3.34Å; K623-R625 PolarHBondContact O-N 3.45Å; R625-T627 PolarHBondContact O-N 3.29Å
626	K	32.5	Very low	35.6	Very low	195 Å²	195	156 Å²	156	85%	0.848	79%	0.785	S	S	*	*			trans	-70.9	73.2	170.5	-72.2	-176.4	176.6	-178.6	0	107.5	R624 N628	R624-K626 PolarHBondContact O-N 3.07Å; R624-K626 VanDerWaalsContact O-N 3.08Å; K626-N628 PolarHBondContact O-N 2.83Å
627	T	39.1	Very low	35.3	Very low	123 Å²	123	161.2 Å²	161.2	76%	0.755	80%	0.803	S	S	*	*			trans	-62.4	112.6	153.1	40.5	0	0	0	0	105.3	R625	R625-T627 PolarHBondContact O-N 3.29Å
628	N	31.1	Very low	34.4	Very low	138 Å²	138	161.2 Å²	161.2	74%	0.738	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-60.9	135.2	177.1	-66.2	-47.5	0	0	0	107.9	K626	K626-N628 PolarHBondContact O-N 2.83Å
629	P	33.2	Very low	33.8	Very low	103 Å²	103	161.5 Å²	161.5	67%	0.669	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-59.4	143.8	166.4	28.1	-33.6	0	0	0	108.2	K631	P629-K631 PolarHBondContact O-N 2.89Å; P629-K631 VanDerWaalsContact O-N 3.12Å
630	P	33.6	Very low	33.3	Very low	133 Å²	133	160.5 Å²	160.5	86%	0.864	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-52.4	122.4	167.6	-24.6	34.6	0	0	0	109
631	K	36.6	Very low	32.6	Very low	186 Å²	186	161.9 Å²	161.9	81%	0.809	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-71.8	134.4	177.6	-72.4	-176.3	175.7	-176.8	0	109	P629	P629-K631 PolarHBondContact O-N 2.89Å; P629-K631 VanDerWaalsContact O-N 3.12Å
632	Q	31.5	Very low	32.2	Very low	157 Å²	157	159.9 Å²	159.9	73%	0.734	80%	0.804	S	S	*	*			trans	49.8	95.4	156.6	-65.1	167.3	-55	0	0	116.6
633	I	30.2	Very low	31.7	Very low	161 Å²	161	160.9 Å²	160.9	83%	0.826	80%	0.801	S	S	*	*			trans	-121.4	118.4	134.4	-59.5	-178.5	0	0	0	105.7
634	H	31.3	Very low	31.2	Very low	155 Å²	155	160 Å²	160	72%	0.718	80%	0.8	S	S	*	*			trans	-77.7	145.7	176.4	-92.7	-107.6	0	0	0	110.4	A636	H634-A636 PolarHBondContact O-N 3.23Å
635	T	30.4	Very low	30.9	Very low	146 Å²	146	157.9 Å²	157.9	90%	0.896	80%	0.8	S	S	*	*			trans	-72	110.8	162.4	46.5	0	0	0	0	109.7
636	A	30.2	Very low	30.6	Very low	91 Å²	91	155.1 Å²	155.1	75%	0.752	80%	0.802	S	S	*	*			trans	-138.4	162.6	159	0	0	0	0	0	107.3	H634	H634-A636 PolarHBondContact O-N 3.23Å
637	Q	30	Very low	30.6	Very low	178 Å²	178	155.4 Å²	155.4	83%	0.832	80%	0.803	S	S	*	*			trans	-74.3	168.9	-179.2	-76.3	142.8	-95.9	0	0	112.6
638	D	29.1	Very low	30.1	Very low	139 Å²	139	156 Å²	156	74%	0.743	81%	0.807	S	S	*	*	S	Bend	trans	77.6	118	169.4	-51.5	-25.9	0	0	0	118.5
639	H	25.7	Very low	30.2	Very low	189 Å²	189	155.4 Å²	155.4	88%	0.875	81%	0.814	S	S	*	*			trans	33.4	95.3	156.9	-60.9	-85	0	0	0	119.4
640	I	28.1	Very low	30.1	Very low	144 Å²	144	154.9 Å²	154.9	74%	0.738	82%	0.818	S	S	*	*			trans	-121.6	111.8	160	-62.1	-177.5	0	0	0	111.2
641	V	25.4	Very low	30	Very low	123 Å²	123	156.4 Å²	156.4	75%	0.745	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-72.9	125.4	164.1	173.7	0	0	0	0	109.2	K643	V641-K643 PolarHBondContact O-N 3.18Å
642	I	30.6	Very low	29.8	Very low	163 Å²	163	153.1 Å²	153.1	84%	0.836	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-78.7	118.6	166.6	-63.3	-178.1	0	0	0	108
643	K	29	Very low	29.8	Very low	182 Å²	182	151.4 Å²	151.4	79%	0.791	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-78.8	137.4	-168	-65.2	-178.5	178.1	-178.6	0	113	V641	V641-K643 PolarHBondContact O-N 3.18Å
644	Q	26.7	Very low	30	Very low	184 Å²	184	151.4 Å²	151.4	86%	0.86	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-50.2	136.5	155.7	-164.1	173.8	19.7	0	0	109.8	L646	Q644-L646 PolarHBondContact O-N 2.75Å; Q644-L646 VanDerWaalsContact O-N 3.13Å
645	Q	30.3	Very low	30.1	Very low	195 Å²	195	148.4 Å²	148.4	91%	0.911	79%	0.793	S	S	*	*			trans	-77.2	102.7	179.6	-69.9	-167.9	15.1	0	0	110.6
646	L	27.9	Very low	30.2	Very low	172 Å²	172	146 Å²	146	90%	0.901	78%	0.782	S	S	*	*			trans	-62.9	130.4	166.2	-81.9	160.1	0	0	0	110.3	Q644	Q644-L646 PolarHBondContact O-N 2.75Å; Q644-L646 VanDerWaalsContact O-N 3.13Å
647	K	32.5	Very low	30.4	Very low	202 Å²	202	145.2 Å²	145.2	88%	0.878	77%	0.77	S	S	*	*			trans	-113.6	136.4	155.7	-148.2	174.7	-174.3	-178.1	0	108.1
648	T	28.5	Very low	30.5	Very low	136 Å²	136	140 Å²	140	83%	0.834	75%	0.749	S	S	*	*			trans	-80.6	130.2	-158.7	48.5	0	0	0	0	114.9
649	S	33.8	Very low	30.6	Very low	125 Å²	125	137.8 Å²	137.8	87%	0.874	74%	0.735	S	S	*	*			trans	-147.2	160.6	140.8	56.4	0	0	0	0	108.8
650	A	30.7	Very low	30.9	Very low	91 Å²	91	135.6 Å²	135.6	75%	0.752	72%	0.724	S	S	*	*			trans	-103.9	161.3	-153.8	0	0	0	0	0	115.5
651	E	31.5	Very low	31	Very low	166 Å²	166	133.8 Å²	133.8	78%	0.776	72%	0.721	S	S	*	*			trans	76.9	114.5	148.8	-75.3	-178.8	-176	0	0	122.3
652	N	32.4	Very low	31.2	Very low	117 Å²	117	136.5 Å²	136.5	63%	0.626	73%	0.725	S	S	*	*				83.7	97.6	124.6	-60.8	-17.9	0	0	0	121.5
653	N	32	Very low	31	Very low	120 Å²	120	132.7 Å²	132.7	64%	0.642	71%	0.713	S	S	*	*				100.5	109.5	115.1	-68	-12.4	0	0	0	122.2
654	H	34.7	Very low	30.9	Very low	161 Å²	161	131 Å²	131	75%	0.745	71%	0.712	S	S	*	*			trans	91.2	113.4	136.7	-58.3	-40	0	0	0	123
655	S	33.5	Very low	30.9	Very low	92 Å²	92	127.2 Å²	127.2	64%	0.643	70%	0.702	S	S	*	*			trans	80.6	87.5	132.7	59.8	0	0	0	0	122.2
656	S	31.1	Very low	30.7	Very low	96 Å²	96	126.2 Å²	126.2	67%	0.671	70%	0.698	S	S	*	*				65	150	106.1	-55.3	0	0	0	0	123.1
657	P	36.1	Very low	30.7	Very low	75 Å²	75	127.2 Å²	127.2	49%	0.487	70%	0.698	S	S	.	*			trans	-131.5	-153.5	-148.3	41.4	-21.1	0	0	0	116.5	D141 K142	D141-P657 VanDerWaalsContact CG-CA 3.47Å; D141-P657 WeakPolarHBondContact OD1-CA 3.42Å; K142-P657 WeakPolarHBondContact CE-O 3.42Å; K142-P657 WeakPolarHBondContact CG-O 3.34Å
658	V	31.6	Very low	30.2	Very low	67 Å²	67	124.7 Å²	124.7	41%	0.406	69%	0.692	S	S	.	*			trans	153.2	-143.2	137.6	177.9	0	0	0	0	114.6	K142 T143	K142-V658 VanDerWaalsContact CA-C 3.47Å; T143-V658 HydrophobicContact CG2-CB 4.06Å; T143-V658 HydrophobicContact CG2-CG1 4.35Å
659	Q	31.4	Very low	30.2	Very low	94 Å²	94	127.1 Å²	127.1	44%	0.439	69%	0.694	S	S	.	*			trans	-91.9	-174.7	-147	-77.8	147.5	-33.4	0	0	117	K142 T143 H144	K142-Q659 CarbonylContact C-O 3.42Å; K142-Q659 PolarHBondContact N-O 3.01Å; K142-Q659 VanDerWaalsContact N-O 3.08Å; K142-Q659 VanDerWaalsContact O-O 3.09Å; T143-Q659 PolarHBondContact O-OE1 3.49Å; H144-Q659 VanDerWaalsContact N-OE1 3.07Å; H144-Q659 PolarHBondContact O-OE1 3.3Å
660	H	32.4	Very low	29.6	Very low	142 Å²	142	126.7 Å²	126.7	66%	0.657	69%	0.69	S	S	*	*			cis	-154.5	178	26.9	-125.2	-76.5	0	0	0	116.4
661	T	29	Very low	29.5	Very low	107 Å²	107	130 Å²	130	66%	0.656	69%	0.693	S	S	*	*			trans	-40	168.8	175.2	40.6	0	0	0	0	118.5
662	Q	30.2	Very low	29.2	Very low	179 Å²	179	131.8 Å²	131.8	84%	0.836	70%	0.698	S	S	*	*			cis	-162	175	35.7	-148.5	160.3	-15.3	0	0	115.2
663	S	25.7	Very low	29	Very low	83 Å²	83	132.7 Å²	132.7	58%	0.58	71%	0.708	S	S	*	*			trans	-51.8	143.9	-178.3	54.5	0	0	0	0	120
664	N	27.5	Very low	28.8	Very low	146 Å²	146	130.7 Å²	130.7	78%	0.781	70%	0.697	S	S	*	*				172.5	142.7	108.2	-92.2	-13.2	0	0	0	115.8
665	T	26.9	Very low	28.4	Very low	106 Å²	106	126.7 Å²	126.7	65%	0.65	68%	0.681	S	S	*	*			trans	45.9	122.7	137.4	-41.4	0	0	0	0	122.5
666	E	26.1	Very low	28.2	Very low	174 Å²	174	128 Å²	128	81%	0.813	68%	0.677	S	S	*	*			trans	50	122	151.3	-66	167	-148.9	0	0	121.5
667	Q	27.7	Very low	27.9	Very low	193 Å²	193	131.5 Å²	131.5	90%	0.902	68%	0.677	S	S	*	*				-162.8	165.5	98.4	-107.9	-175.3	14.4	0	0	113.9
668	I	22.6	Very low	27.5	Very low	149 Å²	149	137.4 Å²	137.4	76%	0.764	70%	0.698	S	S	*	*			trans	-90.7	136.6	-175.4	-60.7	158.5	0	0	0	110.2
669	Q	27.5	Very low	27.3	Very low	187 Å²	187	139.4 Å²	139.4	87%	0.874	72%	0.715	S	S	*	*			trans	-153.3	130.9	148	-122	172.8	29.4	0	0	113.6
670	C	21.7	Very low	27.3	Very low	116 Å²	116	140.4 Å²	140.4	78%	0.784	73%	0.73	S	S	*	*			trans	-90.1	140	175.6	-56.7	0	0	0	0	110.3
671	I	28.6	Very low	27.3	Very low	160 Å²	160	141.2 Å²	141.2	82%	0.821	74%	0.739	S	S	*	*			trans	-124.1	134.8	163	-62.4	-177.7	0	0	0	109	V673	I671-V673 HydrophobicContact CG2-CG2 4.4Å
672	K	23.8	Very low	27.1	Very low	203 Å²	203	138.9 Å²	138.9	88%	0.883	74%	0.736	S	S	*	*			trans	-133.2	120.8	-171.1	174.7	-171.4	180	-175.6	0	108
673	V	29.2	Very low	27.1	Very low	136 Å²	136	139 Å²	139	82%	0.824	73%	0.734	S	S	*	*			trans	-135.3	136.5	173.9	-174.5	0	0	0	0	108.3	I671	I671-V673 HydrophobicContact CG2-CG2 4.4Å
674	N	27.5	Very low	27.2	Very low	79 Å²	79	144.7 Å²	144.7	42%	0.422	74%	0.742	S	S	.	*			trans	-126.1	168.6	172.7	-160.3	12.7	0	0	0	110.6	S119 E120	S119-N674 PolarHBondContact O-ND2 3.38Å; S119-N674 VanDerWaalsContact O-ND2 3.08Å; S119-N674 PolarHBondContact OG-ND2 3.37Å; E120-N674 PolarHBondContact N-ND2 3.04Å; E120-N674 PolarHBondContact O-ND2 2.69Å
675	N	25.9	Very low	27.2	Very low	76 Å²	76	144.1 Å²	144.1	41%	0.406	74%	0.735	S	S	.	*			trans	-54.5	149.2	-165	-61.4	-54.6	0	0	0	116.6
676	Q	29.4	Very low	27.4	Very low	121 Å²	121	146.8 Å²	146.8	57%	0.565	74%	0.744	S	S	*	*			trans	-156.6	130	132.2	-120.9	152.8	119.2	0	0	114.8
677	Y	24.7	Very low	27.6	Very low	169 Å²	169	143.2 Å²	143.2	66%	0.663	74%	0.739	S	S	*	*			trans	-5.1	138	157.8	-64.3	-101	0	0	0	120	E120	E120-Y677 WeakPolarHBondContact OE2-CE2 2.97Å
678	Q	28.9	Very low	28.1	Very low	199 Å²	199	140.3 Å²	140.3	93%	0.93	73%	0.734	S	S	*	*				-152	151.8	108.8	-109.9	170.8	22.1	0	0	112.5
679	S	26.9	Very low	28.3	Very low	108 Å²	108	138.6 Å²	138.6	76%	0.755	74%	0.735	S	S	*	*			trans	-101.3	164.8	-175.6	-122.9	0	0	0	0	111.9
680	P	31.9	Very low	28.7	Very low	116 Å²	116	135 Å²	135	75%	0.753	73%	0.728	S	S	*	*			trans	-79.6	133.3	-156.7	30.3	-35.7	0	0	0	115
681	N	31.6	Very low	29.1	Very low	158 Å²	158	137.7 Å²	137.7	85%	0.845	73%	0.729	S	S	*	*			trans	-134.4	135	145	-81.6	-76	0	0	0	107
682	G	25.6	Very low	29	Very low	58 Å²	58	135 Å²	135	60%	0.598	72%	0.722	S	S	*	*			cis	116.5	63.5	4.5	0	0	0	0	0	112.5
683	K	29.2	Very low	29.5	Very low	182 Å²	182	134.3 Å²	134.3	79%	0.791	72%	0.722	S	S	*	*			trans	179.3	138.4	157.8	-101.2	143.9	-165.6	167.1	0	111.7
684	R	27.3	Very low	29.3	Very low	202 Å²	202	133.4 Å²	133.4	76%	0.762	72%	0.716	S	S	*	*			trans	70.5	147.8	141.7	-68	-172.6	159.2	151.9	1.3	118.8
685	E	28.6	Very low	29.5	Very low	135 Å²	135	136 Å²	136	63%	0.631	74%	0.735	S	S	*	*			cis	-162.1	156.5	-13.9	-124.8	153.5	-157.8	0	0	109.6
686	L	31.1	Very low	29.5	Very low	161 Å²	161	136.8 Å²	136.8	84%	0.843	75%	0.747	S	S	*	*			trans	64	153.6	162.3	-58.5	158.1	0	0	0	115.9
687	S	30.5	Very low	29.3	Very low	99 Å²	99	137 Å²	137	69%	0.692	75%	0.751	S	S	*	*			cis	-158.5	147.1	-22.6	49	0	0	0	0	105.1
688	V	37	Very low	29.4	Very low	132 Å²	132	136.9 Å²	136.9	80%	0.8	76%	0.756	S	S	*	*				-168.5	155.6	66.7	162.2	0	0	0	0	107.4
689	S	26.8	Very low	29.3	Very low	113 Å²	113	132 Å²	132	79%	0.79	74%	0.744	S	S	*	*			trans	-128.1	135.3	176.1	177.5	0	0	0	0	112.9
690	P	36.5	Very low	29.1	Very low	111 Å²	111	134.2 Å²	134.2	72%	0.721	75%	0.747	S	S	*	*			trans	-130.5	158.2	142.2	36.8	-25.8	0	0	0	111.2
691	E	29.3	Very low	28.8	Very low	173 Å²	173	136.7 Å²	136.7	81%	0.808	75%	0.748	S	S	*	*			cis	-159.8	145.1	-17.5	-176.7	175.8	168.2	0	0	107.4
692	P	28.1	Very low	28.5	Very low	103 Å²	103	139.8 Å²	139.8	67%	0.669	75%	0.748	S	S	*	*			trans	-100.6	142.8	-168	36.6	-33.5	0	0	0	115.6
693	Q	33	Very low	28.5	Very low	190 Å²	190	141.2 Å²	141.2	89%	0.888	75%	0.749	S	S	*	*			trans	-135.7	103.4	163.5	-62.9	-176.2	3.8	0	0	107.6
694	V	26	Very low	28.3	Very low	117 Å²	117	136.4 Å²	136.4	71%	0.709	74%	0.735	S	S	*	*				77	83.4	50.4	-171.6	0	0	0	0	113.4
695	T	30.9	Very low	28.2	Very low	133 Å²	133	132.6 Å²	132.6	82%	0.816	73%	0.729	S	S	*	*				-152	120.2	110.6	31	0	0	0	0	107.3
696	S	25.7	Very low	28.2	Very low	93 Å²	93	131.7 Å²	131.7	65%	0.65	73%	0.728	S	S	*	*				81.7	129.1	62.2	177.4	0	0	0	0	112
697	L	25.2	Very low	28	Very low	126 Å²	126	126.8 Å²	126.8	66%	0.66	70%	0.701	S	S	*	*			cis	-166.9	156.5	-5.6	-108.5	178.2	0	0	0	109.1
698	H	27	Very low	27.9	Very low	165 Å²	165	127 Å²	127	76%	0.764	69%	0.689	S	S	*	*			trans	58.2	170.2	158.6	-61.8	-46.7	0	0	0	117.1
699	S	26.5	Very low	27.5	Very low	98 Å²	98	122.9 Å²	122.9	69%	0.685	67%	0.666	S	S	*	*			cis	-150.6	138.3	-22.1	32.2	0	0	0	0	106.5
700	L	24.1	Very low	27.6	Very low	153 Å²	153	120.7 Å²	120.7	80%	0.801	65%	0.646	S	S	*	*				59	132.3	86.9	-122.8	166.4	0	0	0	114
701	Q	25.8	Very low	27.2	Very low	168 Å²	168	125.5 Å²	125.5	79%	0.785	65%	0.65	S	S	*	*			trans	79.8	110.9	176	-51.8	174.8	-4.3	0	0	114.3
702	R	24.6	Very low	27.1	Very low	223 Å²	223	123.5 Å²	123.5	84%	0.842	65%	0.649	S	S	*	*				88.7	144.3	74.4	-80.4	-179.8	-177.4	-151.9	3.2	112.9
703	S	25.6	Very low	27.1	Very low	89 Å²	89	124.7 Å²	124.7	62%	0.622	66%	0.66	S	S	*	*			trans	58	103.6	168.7	26.3	0	0	0	0	117.3
704	T	24.4	Very low	26.8	Very low	80 Å²	80	118.9 Å²	118.9	49%	0.491	65%	0.651	S	S	.	*				63.6	129.2	85.1	59.7	0	0	0	0	116.8
705	L	26.1	Very low	26.9	Very low	123 Å²	123	120.2 Å²	120.2	64%	0.644	66%	0.659	S	S	*	*			trans	89.1	127.9	157.2	-73.4	164.1	0	0	0	119.8
706	L	27.7	Very low	26.9	Very low	116 Å²	116	123.2 Å²	123.2	61%	0.607	66%	0.664	S	S	*	*			trans	72.5	140.6	153.8	-57.3	164.2	0	0	0	115.1	T559	T559-L706 WeakPolarHBondContact CB-O 3.34Å; T559-L706 VanDerWaalsContact CG2-C 3.49Å; T559-L706 PolarHBondContact OG1-N 3.49Å; T559-L706 VanDerWaalsContact OG1-N 3.11Å; T559-L706 PolarHBondContact OG1-O 3.48Å
707	E	28.3	Very low	27.3	Very low	58 Å²	58	125.3 Å²	125.3	27%	0.271	67%	0.673	S	S	.	*			cis	-174.1	156.2	6.8	-141.4	-155.9	121.9	0	0	115.2	M560 R561	M560-E707 CarbonylContact C-O 3.49Å; M560-E707 WeakPolarHBondContact CB-O 3.35Å; M560-E707 CarbonylContact O-C 3.6Å; M560-E707 PolarHBondContact O-N 3.39Å; M560-E707 VanDerWaalsContact O-N 3.15Å; R561-E707 WeakPolarHBondContact CA-O 3.42Å; R561-E707 WeakPolarHBondContact CB-O 3.03Å; R561-E707 WeakPolarHBondContact CD-O 3.19Å; R561-E707 WeakPolarHBondContact CG-O 3.27Å; R561-E707 VanDerWaalsContact CZ-CB 3.41Å; R561-E707 VanDerWaalsContact CZ-CD 3.5Å; R561-E707 IonicContact CZ-OE1 3.29Å; R561-E707 IonicContact CZ-OE2 2.65Å; R561-E707 VanDerWaalsContact CZ-OE2 3.29Å; R561-E707 PolarHBondContact N-O 3.31Å; R561-E707 PolarHBondContact NE-O 2.9Å; R561-E707 IonicContact NH1-OE1 2.72Å; R561-E707 IonicContact NH1-OE2 2.74Å; R561-E707 PolarHBondContact NH1-OE2 2.87Å; R561-E707 IonicContact NH2-OE1 3.21Å; R561-E707 PolarHBondContact NH2-OE1 3.11Å; R561-E707 IonicContact NH2-OE2 3.16Å; R561-E707 PolarHBondContact NH2-OE2 2.93Å
708	K	28.5	Very low	27.3	Very low	102 Å²	102	125 Å²	125	44%	0.443	66%	0.664	S	S	.	*			trans	17.9	118.8	176	-42.4	177.7	-164.5	97.8	0	125.4	M560 R561 Y562	M560-K708 VanDerWaalsContact SD-CA 3.6Å; R561-K708 WeakPolarHBondContact CA-O 3.42Å; R561-K708 VanDerWaalsContact NH2-CG 3.26Å; Y562-K708 WeakPolarHBondContact CA-O 3.22Å; Y562-K708 WeakPolarHBondContact CD1-O 3.4Å; Y562-K708 HydrophobicContact CE1-CB 4.2Å; Y562-K708 HydrophobicContact CE1-CD 4.39Å
709	S	27.6	Very low	27.4	Very low	47 Å²	47	123.5 Å²	123.5	33%	0.329	66%	0.661	S	S	.	*			trans	74.3	177	144	78.4	0	0	0	0	120.3	R561 Y562	R561-S709 CarbonylContact C-O 3.57Å; R561-S709 WeakPolarHBondContact CA-O 3.46Å; R561-S709 PolarHBondContact N-O 3.06Å; Y562-S709 WeakPolarHBondContact CA-O 3.42Å; Y562-S709 WeakPolarHBondContact CD1-OG 3.3Å; Y562-S709 PolarHBondContact N-O 3.24Å
710	N	27.8	Very low	27.6	Very low	66 Å²	66	127.8 Å²	127.8	35%	0.353	67%	0.67	S	S	.	*			cis	-152.7	146.8	0.2	-143.1	4.3	0	0	0	116.3
711	R	28.5	Very low	27.8	Very low	213 Å²	213	127 Å²	127	80%	0.804	67%	0.666	S	S	*	*			trans	17.9	112.5	153.5	-76.1	179.3	-180	-176.9	-0.3	122.8
712	T	28.4	Very low	27.9	Very low	131 Å²	131	128.4 Å²	128.4	80%	0.804	67%	0.67	S	S	*	*				81.2	115.9	76.4	60.1	0	0	0	0	119.1
713	S	27.9	Very low	28.1	Very low	128 Å²	128	124.5 Å²	124.5	90%	0.895	66%	0.664	S	S	*	*			trans	-170.9	133.5	133.1	62	0	0	0	0	112.3
714	G	27.2	Very low	28.2	Very low	67 Å²	67	124.5 Å²	124.5	69%	0.691	67%	0.669	S	S	*	*	S	Bend	trans	131.9	79.4	161.9	0	0	0	0	0	118.3
715	T	27.8	Very low	28.4	Very low	145 Å²	145	125.8 Å²	125.8	89%	0.89	67%	0.673	S	S	*	*			trans	41.2	93.5	149.9	54.6	0	0	0	0	119.6
716	E	30.5	Very low	28.5	Very low	196 Å²	196	131.6 Å²	131.6	92%	0.916	69%	0.688	S	S	*	*			trans	-112.4	144.1	154.5	-72	-173.9	138.9	0	0	110.6
717	T	33.7	Very low	28.7	Very low	138 Å²	138	133.2 Å²	133.2	85%	0.847	69%	0.691	S	S	*	*			trans	-103.4	96	-179	48.7	0	0	0	0	111.5	D719	T717-D719 PolarHBondContact O-N 3.38Å
718	R	26.3	Very low	28.7	Very low	120 Å²	120	138.2 Å²	138.2	45%	0.453	72%	0.718	S	S	.	*			trans	23.2	98.9	137.3	-173.3	-142.3	-177.1	77.6	17.7	116.3	E611	E611-R718 IonicContact OE1-CZ 2.77Å; E611-R718 IonicContact OE1-NH1 2.64Å; E611-R718 PolarHBondContact OE1-NH1 2.8Å; E611-R718 IonicContact OE2-CZ 2.62Å; E611-R718 IonicContact OE2-NH1 3.11Å; E611-R718 PolarHBondContact OE2-NH1 3.41Å; E611-R718 IonicContact OE2-NH2 2.8Å; E611-R718 PolarHBondContact OE2-NH2 2.89Å
719	D	28.9	Very low	28.6	Very low	132 Å²	132	137.3 Å²	137.3	71%	0.706	73%	0.73	S	S	*	*			trans	176.1	82.9	131.3	-87.2	-14	0	0	0	111	T717	T717-D719 PolarHBondContact O-N 3.38Å
720	Q	29.1	Very low	29	Very low	188 Å²	188	140.2 Å²	140.2	88%	0.879	75%	0.748	S	S	*	*			trans	-176.8	164.7	161.2	-108.1	156.9	101.8	0	0	110.7
721	L	28.3	Very low	28.9	Very low	136 Å²	136	143.9 Å²	143.9	71%	0.712	77%	0.767	S	S	*	*			trans	76	138.1	-166	-58.8	149.1	0	0	0	113.1	I723	L721-I723 HydrophobicContact CD2-CB 4.49Å; L721-I723 HydrophobicContact CD2-CD1 3.49Å; L721-I723 VanDerWaalsContact CD2-CD1 3.49Å; L721-I723 HydrophobicContact CD2-CG1 3.93Å
722	F	29.5	Very low	29	Very low	199 Å²	199	141.9 Å²	141.9	87%	0.873	77%	0.772	S	S	*	*			cis	-106.6	146.1	6.6	-59	-109.8	0	0	0	109.4
723	I	28.9	Very low	28.9	Very low	140 Å²	140	144 Å²	144	72%	0.718	77%	0.773	S	S	*	*			cis	69.8	124.3	36.2	-57.7	-162.3	0	0	0	114.5	L721	L721-I723 HydrophobicContact CD2-CB 4.49Å; L721-I723 HydrophobicContact CD2-CD1 3.49Å; L721-I723 VanDerWaalsContact CD2-CD1 3.49Å; L721-I723 HydrophobicContact CD2-CG1 3.93Å
724	A	26.9	Very low	28.9	Very low	89 Å²	89	146.2 Å²	146.2	74%	0.736	77%	0.773	S	S	*	*			trans	-97.8	152.1	177.1	0	0	0	0	0	111.7
725	D	28	Very low	28.9	Very low	107 Å²	107	146.6 Å²	146.6	57%	0.572	78%	0.777	S	S	*	*			trans	-160.7	121.5	146.6	-124.8	-21	0	0	0	112.1	K727	D725-K727 WeakPolarHBondContact OD1-CE 3.31Å; D725-K727 WeakPolarHBondContact OD1-CG 3.42Å; D725-K727 IonicContact OD1-NZ 3.46Å; D725-K727 PolarHBondContact OD1-NZ 3.17Å; D725-K727 IonicContact OD2-NZ 3.21Å; D725-K727 PolarHBondContact OD2-NZ 2.96Å
726	Y	29.4	Very low	28.8	Very low	245 Å²	245	145.1 Å²	145.1	96%	0.961	77%	0.773	S	S	*	*			trans	-155.5	103.8	148.7	-108.8	-71.5	0	0	0	107.5
727	K	31.7	Very low	28.8	Very low	151 Å²	151	142.8 Å²	142.8	66%	0.657	77%	0.772	S	S	*	*			trans	-96.9	159.7	-171.7	-71.6	178.2	178.3	97.4	0	112.6	D725	D725-K727 WeakPolarHBondContact OD1-CE 3.31Å; D725-K727 WeakPolarHBondContact OD1-CG 3.42Å; D725-K727 IonicContact OD1-NZ 3.46Å; D725-K727 PolarHBondContact OD1-NZ 3.17Å; D725-K727 IonicContact OD2-NZ 3.21Å; D725-K727 PolarHBondContact OD2-NZ 2.96Å
728	L	27.7	Very low	28.5	Very low	162 Å²	162	145.2 Å²	145.2	85%	0.848	77%	0.771	S	S	*	*			trans	-17.3	155.1	152.2	-61.4	102.5	0	0	0	117.7
729	A	27.2	Very low	28.8	Very low	83 Å²	83	145.1 Å²	145.1	69%	0.686	79%	0.786	S	S	*	*			cis	-161.2	-119.9	-15.8	0	0	0	0	0	111.2
730	P	34.4	Very low	28.8	Very low	108 Å²	108	146.5 Å²	146.5	70%	0.701	79%	0.794	S	S	*	*				-117.2	-172.8	-119	37.9	-21.7	0	0	0	114.7
731	N	27	Very low	28.8	Very low	144 Å²	144	142.3 Å²	142.3	77%	0.77	79%	0.785	S	S	*	*			trans	74.4	97	171.1	-56.4	-13.3	0	0	0	116.5
732	N	30.3	Very low	28.7	Very low	170 Å²	170	144.7 Å²	144.7	91%	0.909	80%	0.797	S	S	*	*				-152.7	156.1	114.8	-99.8	-29.4	0	0	0	110.9
733	Q	26.1	Very low	28.6	Very low	176 Å²	176	138.1 Å²	138.1	82%	0.822	78%	0.78	S	S	*	*			trans	-94	-177.8	-180	-63.4	176.8	-8.8	0	0	111.1
734	I	27.4	Very low	28.4	Very low	175 Å²	175	137 Å²	137	90%	0.897	77%	0.774	S	S	*	*			trans	84.7	135.3	165.8	-50.6	156.6	0	0	0	115.3
735	G	27.6	Very low	28.4	Very low	75 Å²	75	138 Å²	138	77%	0.773	77%	0.773	S	S	*	*			trans	116.6	87.9	158.1	0	0	0	0	0	116
736	S	25.8	Very low	28.4	Very low	114 Å²	114	136.3 Å²	136.3	80%	0.797	76%	0.759	S	S	*	*			trans	-95.3	122.6	172.4	56.1	0	0	0	0	112.6
737	T	30.4	Very low	28.2	Very low	147 Å²	147	129.3 Å²	129.3	90%	0.902	73%	0.734	S	S	*	*			trans	-165	151.8	148	14.5	0	0	0	0	110.3
738	K	27.8	Very low	27.8	Very low	188 Å²	188	123.9 Å²	123.9	82%	0.817	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-82.8	146.5	-178.2	-62.7	178.9	-179.5	178.4	0	112.4
739	P	32.7	Very low	27.9	Very low	119 Å²	119	121.4 Å²	121.4	77%	0.773	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-99.7	117.5	152.2	33.3	-24.3	0	0	0	110.5	S741	P739-S741 PolarHBondContact O-N 2.95Å
740	D	27.6	Very low	27.9	Very low	161 Å²	161	122.2 Å²	122.2	86%	0.861	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-69.6	123.5	166.3	-72	-51.1	0	0	0	109.5
741	S	29.8	Very low	27.7	Very low	100 Å²	100	121.9 Å²	121.9	70%	0.699	69%	0.687	S	S	*	*			trans	-137.8	124.9	179.1	-177.3	0	0	0	0	110.2	P739 A743	P739-S741 PolarHBondContact O-N 2.95Å; S741-A743 PolarHBondContact O-N 3.11Å
742	L	26	Very low	27.8	Very low	186 Å²	186	122 Å²	122	97%	0.974	68%	0.683	S	S	*	*			trans	-77.9	42.2	178.7	-73.6	166.4	0	0	0	112.5	L744	L742-L744 PolarHBondContact O-N 2.91Å
743	A	26.8	Very low	27.8	Very low	60 Å²	60	115.8 Å²	115.8	50%	0.496	65%	0.649	S	S	.	*			trans	-64.9	125.1	160.8	0	0	0	0	0	108.2	S741 P745	S741-A743 PolarHBondContact O-N 3.11Å; A743-P745 WeakPolarHBondContact O-CD 3.47Å
744	L	26.1	Very low	28.2	Very low	117 Å²	117	115.6 Å²	115.6	61%	0.613	65%	0.646	S	S	*	*			trans	-55	114.5	175.2	-79.3	162.9	0	0	0	108.8	L742 Y746 F747	L742-L744 PolarHBondContact O-N 2.91Å; L744-Y746 PolarHBondContact O-N 2.87Å; L744-F747 HydrophobicContact CB-CD2 3.9Å; L744-F747 HydrophobicContact CD1-CD2 4.25Å; L744-F747 HydrophobicContact CD1-CE2 4.16Å; L744-F747 PolarHBondContact O-N 3.4Å; L744-F747 VanDerWaalsContact O-N 3.12Å
745	P	27.3	Very low	28.2	Very low	110 Å²	110	116.9 Å²	116.9	71%	0.714	64%	0.639	S	S	*	*	H	α-helix	trans	-66.5	-9.2	-165.4	24.9	-35	0	0	0	113.7	A743 K749	A743-P745 WeakPolarHBondContact O-CD 3.47Å; P745-K749 VanDerWaalsContact O-CB 3.31Å; P745-K749 WeakPolarHBondContact O-CB 3.41Å
746	Y	26.5	Very low	28.4	Very low	71 Å²	71	118.3 Å²	118.3	28%	0.278	63%	0.625	S	S	.	*	H	α-helix	trans	-75	-42.5	176.6	-153.4	-96.3	0	0	0	113	L744 M750 I801 P804	L744-Y746 PolarHBondContact O-N 2.87Å; Y746-M750 HydrophobicContact CD1-CE 4.48Å; Y746-M750 HydrophobicContact CE1-CE 3.6Å; Y746-M750 HydrophobicContact CE1-SD 4.12Å; Y746-M750 PolarHBondContact O-N 2.78Å; Y746-I801 PolarHBondContact OH-O 3.31Å; Y746-P804 HydrophobicContact CE2-CG 4.32Å
747	F	25.9	Very low	28.6	Very low	98 Å²	98	116.6 Å²	116.6	43%	0.43	61%	0.612	S	S	.	*	H	α-helix	trans	-77.7	-46	-172.9	-73.9	-81.7	0	0	0	112.8	L744 K749 M750 T751 A1117	L744-F747 HydrophobicContact CB-CD2 3.9Å; L744-F747 HydrophobicContact CD1-CD2 4.25Å; L744-F747 HydrophobicContact CD1-CE2 4.16Å; L744-F747 PolarHBondContact O-N 3.4Å; L744-F747 VanDerWaalsContact O-N 3.12Å; F747-K749 VanDerWaalsContact C-N 3.33Å; F747-K749 PolarHBondContact O-N 3.23Å; F747-M750 PolarHBondContact O-N 2.71Å; F747-T751 PolarHBondContact O-N 3.27Å; F747-T751 PolarHBondContact O-OG1 3Å; F747-A1117 WeakPolarHBondContact CZ-O 3.34Å
748	A	24.3	Very low	28.5	Very low	37 Å²	37	116 Å²	116	31%	0.306	60%	0.597	S	S	.	*	H	α-helix	trans	-56.3	-50.2	176.4	0	0	0	0	0	110.5	M750 T751 E752	A748-M750 VanDerWaalsContact C-N 3.32Å; A748-M750 PolarHBondContact O-N 2.92Å; A748-T751 PolarHBondContact O-N 3.5Å; A748-T751 PolarHBondContact O-OG1 3.08Å; A748-E752 WeakPolarHBondContact O-CB 3.23Å; A748-E752 WeakPolarHBondContact O-CG 2.98Å; A748-E752 PolarHBondContact O-N 2.84Å
749	K	28.2	Very low	28.6	Very low	110 Å²	110	109.6 Å²	109.6	48%	0.478	57%	0.57	S	S	.	*	H	α-helix	trans	-61	-33.6	-175.9	-161.6	177.6	-175.4	-171.2	0	114	P745 F747 N753 N775	P745-K749 VanDerWaalsContact O-CB 3.31Å; P745-K749 WeakPolarHBondContact O-CB 3.41Å; F747-K749 VanDerWaalsContact C-N 3.33Å; F747-K749 PolarHBondContact O-N 3.23Å; K749-N753 PolarHBondContact O-N 2.88Å; K749-N775 WeakPolarHBondContact CE-OD1 3.32Å; K749-N775 PolarHBondContact NZ-OD1 2.81Å
750	M	27.7	Very low	28.4	Very low	101 Å²	101	110.9 Å²	110.9	50%	0.498	57%	0.565	S	S	.	*	H	α-helix	trans	-71.1	-43.5	171.5	-75.2	-169.6	170.5	0	0	112.3	Y746 F747 A748 N753	Y746-M750 HydrophobicContact CD1-CE 4.48Å; Y746-M750 HydrophobicContact CE1-CE 3.6Å; Y746-M750 HydrophobicContact CE1-SD 4.12Å; Y746-M750 PolarHBondContact O-N 2.78Å; F747-M750 PolarHBondContact O-N 2.71Å; A748-M750 VanDerWaalsContact C-N 3.32Å; A748-M750 PolarHBondContact O-N 2.92Å; M750-N753 PolarHBondContact O-N 3.33Å
751	T	30.5	Very low	28.4	Very low	100 Å²	100	107.8 Å²	107.8	61%	0.613	54%	0.542	S	S	*	.	H	α-helix	trans	-74.5	-24.9	-178.4	60.3	0	0	0	0	114.5	F747 A748	F747-T751 PolarHBondContact O-N 3.27Å; F747-T751 PolarHBondContact O-OG1 3Å; A748-T751 PolarHBondContact O-N 3.5Å; A748-T751 PolarHBondContact O-OG1 3.08Å
752	E	29.4	Very low	28.3	Very low	146 Å²	146	109.6 Å²	109.6	68%	0.682	54%	0.544	S	S	*	.	H	α-helix	trans	-79.9	-21.4	174.5	-71.3	-178	154.8	0	0	112.6	A748 K754	A748-E752 WeakPolarHBondContact O-CB 3.23Å; A748-E752 WeakPolarHBondContact O-CG 2.98Å; A748-E752 PolarHBondContact O-N 2.84Å; E752-K754 PolarHBondContact O-N 3.27Å
753	N	30.2	Very low	28.3	Very low	40 Å²	40	107.6 Å²	107.6	21%	0.214	54%	0.54	C	S	.	.			trans	-71.7	59.8	172.5	-95.1	11.3	0	0	0	112.4	K749 M750 R755 F756 N775	K749-N753 PolarHBondContact O-N 2.88Å; M750-N753 PolarHBondContact O-N 3.33Å; N753-R755 PolarHBondContact O-N 2.79Å; N753-F756 HydrophobicContact CB-CD2 4.48Å; N753-F756 HydrophobicContact CB-CE2 4.11Å; N753-N775 PolarHBondContact ND2-O 3.11Å
754	K	33.4	Very low	28.3	Very low	173 Å²	173	110.5 Å²	110.5	75%	0.752	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	25.9	169.1	-63.2	-179.6	178.8	174.2	0	113.2	E752	E752-K754 PolarHBondContact O-N 3.27Å
755	R	28.9	Very low	28.3	Very low	201 Å²	201	110.8 Å²	110.8	76%	0.758	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.5	45.4	-174.2	-69.1	-168.7	175.6	-174.5	-0.2	112.6	N753 S757	N753-R755 PolarHBondContact O-N 2.79Å; R755-S757 VanDerWaalsContact C-N 3.28Å; R755-S757 PolarHBondContact O-N 2.58Å
756	F	30.1	Very low	28.5	Very low	106 Å²	106	113 Å²	113	47%	0.465	56%	0.564	S	S	.	*			trans	-67.4	99.5	148.4	-79.9	-80.3	0	0	0	107.1	N753 K758	N753-F756 HydrophobicContact CB-CD2 4.48Å; N753-F756 HydrophobicContact CB-CE2 4.11Å; F756-K758 PolarHBondContact O-N 3.29Å
757	S	30.8	Very low	28.6	Very low	77 Å²	77	116.1 Å²	116.1	54%	0.538	59%	0.586	S	S	.	*			trans	-83.3	114.1	-170.1	51.1	0	0	0	0	110.7	R755	R755-S757 VanDerWaalsContact C-N 3.28Å; R755-S757 PolarHBondContact O-N 2.58Å
758	K	27.4	Very low	28.7	Very low	135 Å²	135	118.7 Å²	118.7	59%	0.587	60%	0.604	S	S	*	*			trans	13.7	110.5	158.6	-76.2	172.6	148.3	-165.1	0	115.4	F756 H760	F756-K758 PolarHBondContact O-N 3.29Å; K758-H760 WeakPolarHBondContact CE-NE2 3.12Å; K758-H760 PolarHBondContact NZ-NE2 2.96Å; K758-H760 PolarHBondContact O-N 3.21Å
759	F	30.7	Very low	29.1	Very low	53 Å²	53	123.4 Å²	123.4	23%	0.232	63%	0.629	C	S	.	*			trans	-63.2	86.4	153.6	-81.7	-105	0	0	0	109.6	Y761 V779 Y873	F759-Y761 PolarHBondContact O-N 3.46Å; F759-V779 WeakPolarHBondContact CE1-O 3.47Å; F759-V779 WeakPolarHBondContact CZ-O 3.26Å; F759-Y873 HydrophobicContact CB-CE1 3.8Å; F759-Y873 AromaticContact CD2-CE1 3.69Å; F759-Y873 HydrophobicContact CD2-CE1 3.69Å; F759-Y873 HydrophobicContact CG-CE1 4.09Å; F759-Y873 PolarHBondContact N-OH 3.14Å
760	H	29.7	Very low	29	Very low	146 Å²	146	123.1 Å²	123.1	68%	0.676	64%	0.641	S	S	*	*			trans	-88.1	91.3	172.5	-94	-7.1	0	0	0	110.2	K758 N762	K758-H760 WeakPolarHBondContact CE-NE2 3.12Å; K758-H760 PolarHBondContact NZ-NE2 2.96Å; K758-H760 PolarHBondContact O-N 3.21Å; H760-N762 PolarHBondContact O-N 3.48Å
761	Y	26.3	Very low	29.1	Very low	96 Å²	96	125.1 Å²	125.1	38%	0.376	65%	0.653	S	S	.	*			trans	-58.3	97.4	163	-80.7	-82.1	0	0	0	110.4	F759 I875 D877	F759-Y761 PolarHBondContact O-N 3.46Å; Y761-I875 PolarHBondContact OH-O 3.23Å; Y761-D877 WeakPolarHBondContact CE1-OD2 3.35Å; Y761-D877 PolarHBondContact OH-OD2 3.5Å
762	N	27.7	Very low	29	Very low	139 Å²	139	126.9 Å²	126.9	74%	0.743	66%	0.659	S	S	*	*			trans	-149.7	103.4	165.8	-95.1	-34.5	0	0	0	108.8	H760 T764	H760-N762 PolarHBondContact O-N 3.48Å; N762-T764 PolarHBondContact O-N 3.27Å
763	T	25.5	Very low	29.1	Very low	144 Å²	144	125.8 Å²	125.8	88%	0.883	66%	0.658	S	S	*	*			trans	-71.3	94	179.7	-46.2	0	0	0	0	110.2
764	T	28.5	Very low	29.1	Very low	121 Å²	121	130.7 Å²	130.7	74%	0.742	68%	0.684	S	S	*	*			trans	-146.4	104.1	170.3	-50.7	0	0	0	0	110.4	N762 N766	N762-T764 PolarHBondContact O-N 3.27Å; T764-N766 PolarHBondContact O-N 3.27Å
765	T	26.1	Very low	29.1	Very low	122 Å²	122	126.4 Å²	126.4	75%	0.748	67%	0.669	S	S	*	*			trans	-62.1	124.4	174.7	48.4	0	0	0	0	111.2
766	N	31.3	Very low	29	Very low	156 Å²	156	120.6 Å²	120.6	83%	0.834	65%	0.653	S	S	*	*			trans	-158.6	153.6	143.2	-113.4	-37	0	0	0	113.4	T764	T764-N766 PolarHBondContact O-N 3.27Å
767	N	28.3	Very low	29.2	Very low	138 Å²	138	117.9 Å²	117.9	74%	0.738	64%	0.643	S	S	*	*			trans	-80.4	163.4	-160.3	-62.3	-48.1	0	0	0	115.2
768	N	27.7	Very low	29.3	Very low	152 Å²	152	115.7 Å²	115.7	81%	0.813	63%	0.63	S	S	*	*			trans	64.7	89.5	150.6	-60	-18.1	0	0	0	119.2
769	T	32.3	Very low	29.7	Very low	135 Å²	135	110 Å²	110	83%	0.828	61%	0.606	S	S	*	*				-144.8	124.1	128.9	-45.2	0	0	0	0	110.8
770	S	26.7	Very low	29.9	Very low	105 Å²	105	110.2 Å²	110.2	73%	0.734	61%	0.614	S	S	*	*			trans	-82.9	133.2	166.9	176.5	0	0	0	0	109.6
771	N	30.3	Very low	30.2	Very low	142 Å²	142	103.8 Å²	103.8	76%	0.759	59%	0.587	S	S	*	*			trans	-161.4	127.1	160.1	-113	-38.8	0	0	0	112.5
772	N	28.7	Very low	30.4	Very low	137 Å²	137	106.3 Å²	106.3	73%	0.733	60%	0.602	S	S	*	*			trans	-69.8	127.4	-177	-65.3	-27.5	0	0	0	111.7
773	N	30.2	Very low	31	Very low	124 Å²	124	101.4 Å²	101.4	66%	0.663	58%	0.577	S	S	*	*			trans	-154	70.9	172.9	-92.7	-59.2	0	0	0	111	N775	N773-N775 PolarHBondContact O-N 3.18Å
774	N	30.8	Very low	31.7	Very low	142 Å²	142	96.8 Å²	96.8	76%	0.759	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	37.9	-169.7	-56.2	17.8	0	0	0	114.6
775	N	32.5	Very low	32.3	Very low	83 Å²	83	97.4 Å²	97.4	44%	0.444	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	-4.5	180	-68.5	-57	0	0	0	114.2	K749 N753 N773	K749-N775 WeakPolarHBondContact CE-OD1 3.32Å; K749-N775 PolarHBondContact NZ-OD1 2.81Å; N753-N775 PolarHBondContact ND2-O 3.11Å; N773-N775 PolarHBondContact O-N 3.18Å
776	N	28.2	Very low	33.1	Very low	79 Å²	79	94 Å²	94	42%	0.422	52%	0.516	S	S	.	.			trans	-120.3	68	-175.2	-66.9	-5.1	0	0	0	111.7	A778	N776-A778 VanDerWaalsContact C-N 3.33Å; N776-A778 PolarHBondContact O-N 3.47Å
777	I	32.6	Very low	34	Very low	49 Å²	49	92.7 Å²	92.7	25%	0.251	51%	0.505	S	S	.	.			trans	-82.5	82.3	173.7	-53.3	-169.9	0	0	0	109.5	V779 T794 D797 A798 I801	I777-V779 HydrophobicContact CG2-CG2 3.68Å; I777-T794 HydrophobicContact CG2-CG2 3.93Å; I777-D797 HydrophobicContact CD1-CB 3.68Å; I777-A798 HydrophobicContact CG2-CB 4.14Å; I777-I801 HydrophobicContact CD1-CD1 3.84Å; I777-I801 HydrophobicContact CG1-CD1 4.41Å
778	A	33.2	Very low	35.1	Very low	32 Å²	32	88 Å²	88	26%	0.264	48%	0.483	S	S	.	.			trans	-91	108.1	158	0	0	0	0	0	107.5	N776 S780	N776-A778 VanDerWaalsContact C-N 3.33Å; N776-A778 PolarHBondContact O-N 3.47Å; A778-S780 PolarHBondContact O-N 3.42Å
779	V	37.2	Very low	36.4	Very low	14 Å²	14	85.7 Å²	85.7	9%	0.085	48%	0.476	C	S	.	.			trans	-78.9	86	-178.4	-172.1	0	0	0	0	109.3	F759 I777 V783 M784 T794 A798 L958	F759-V779 WeakPolarHBondContact CE1-O 3.47Å; F759-V779 WeakPolarHBondContact CZ-O 3.26Å; I777-V779 HydrophobicContact CG2-CG2 3.68Å; V779-V783 HydrophobicContact CG1-CB 4.11Å; V779-V783 HydrophobicContact CG1-CG1 4.2Å; V779-M784 HydrophobicContact CG1-CG 3.91Å; V779-M784 HydrophobicContact CG1-SD 4.48Å; V779-T794 HydrophobicContact CG2-CG2 4.46Å; V779-A798 HydrophobicContact CG2-CB 4.12Å; V779-L958 HydrophobicContact CB-CD1 4.06Å; V779-L958 HydrophobicContact CG1-CD1 4.03Å; V779-L958 HydrophobicContact CG2-CD1 4.08Å
780	S	33.9	Very low	37.6	Very low	58 Å²	58	87.2 Å²	87.2	41%	0.406	47%	0.471	S	S	.	.			trans	-54.4	143	172.3	-65.2	0	0	0	0	110.9	A778 E782 V783 M784	A778-S780 PolarHBondContact O-N 3.42Å; S780-E782 PolarHBondContact O-N 3.02Å; S780-V783 WeakPolarHBondContact O-CA 3.28Å; S780-V783 WeakPolarHBondContact O-CB 3.43Å; S780-V783 PolarHBondContact O-N 3.35Å; S780-M784 PolarHBondContact O-N 3.34Å
781	A	36.8	Very low	39.1	Very low	11 Å²	11	82.7 Å²	82.7	9%	0.091	44%	0.439	C	S	.	.	H	α-helix	trans	-64.8	-8.1	-178.7	0	0	0	0	0	114.6	M784 R785 D877	A781-M784 HydrophobicContact CB-SD 4.3Å; A781-R785 WeakPolarHBondContact O-CG 3.4Å; A781-R785 PolarHBondContact O-N 2.8Å; A781-R785 PolarHBondContact O-NH1 3.03Å; A781-R785 VanDerWaalsContact O-NH1 3.14Å; A781-D877 WeakPolarHBondContact CB-OD2 3.48Å
782	E	29.4	Very low	40.6	Very low	149 Å²	149	76.5 Å²	76.5	70%	0.696	41%	0.407	S	S	*	.	H	α-helix	trans	-77.1	-34.3	168.5	-167.4	163.6	-144.2	0	0	112.1	S780 R785 S786	S780-E782 PolarHBondContact O-N 3.02Å; E782-R785 PolarHBondContact O-N 3.23Å; E782-S786 PolarHBondContact O-N 3.09Å
783	V	39.9	Very low	42.3	Very low	36 Å²	36	73.4 Å²	73.4	22%	0.218	39%	0.393	C	S	.	.	H	α-helix	trans	-61.1	-49.6	170.7	-174.2	0	0	0	0	109.1	V779 S780 R785 S786 S791 T794	V779-V783 HydrophobicContact CG1-CB 4.11Å; V779-V783 HydrophobicContact CG1-CG1 4.2Å; S780-V783 WeakPolarHBondContact O-CA 3.28Å; S780-V783 WeakPolarHBondContact O-CB 3.43Å; S780-V783 PolarHBondContact O-N 3.35Å; V783-R785 PolarHBondContact O-N 2.82Å; V783-S786 PolarHBondContact O-N 3.2Å; V783-S786 PolarHBondContact O-OG 3.07Å; V783-S791 VanDerWaalsContact CG1-CB 3.49Å; V783-S791 WeakPolarHBondContact O-CB 3.2Å; V783-T794 HydrophobicContact CG1-CG2 4.11Å
784	M	40.5	Very low	44.1	Very low	48 Å²	48	69.5 Å²	69.5	24%	0.236	37%	0.374	C	S	.	.	H	α-helix	trans	-60	-27.3	177.9	-67.6	158.7	51.2	0	0	114.5	V779 S780 A781 A959	V779-M784 HydrophobicContact CG1-CG 3.91Å; V779-M784 HydrophobicContact CG1-SD 4.48Å; S780-M784 PolarHBondContact O-N 3.34Å; A781-M784 HydrophobicContact CB-SD 4.3Å; M784-A959 HydrophobicContact CE-CB 4.34Å; M784-A959 WeakPolarHBondContact CE-O 2.98Å
785	R	41.3	Very low	45.9	Very low	133 Å²	133	63.6 Å²	63.6	50%	0.502	34%	0.343	S	S	.	.	H	α-helix	trans	-84.9	-37.5	178.5	-81.4	178.9	177.5	95.9	-19.2	113.2	A781 E782 V783 E787 D877	A781-R785 WeakPolarHBondContact O-CG 3.4Å; A781-R785 PolarHBondContact O-N 2.8Å; A781-R785 PolarHBondContact O-NH1 3.03Å; A781-R785 VanDerWaalsContact O-NH1 3.14Å; E782-R785 PolarHBondContact O-N 3.23Å; V783-R785 PolarHBondContact O-N 2.82Å; R785-E787 PolarHBondContact O-N 3.12Å; R785-D877 VanDerWaalsContact CZ-CG 3.42Å; R785-D877 IonicContact CZ-OD1 3.76Å; R785-D877 IonicContact CZ-OD2 3.76Å; R785-D877 IonicContact NH1-OD1 3.2Å; R785-D877 IonicContact NH1-OD2 3.43Å; R785-D877 PolarHBondContact NH1-OD2 3.32Å; R785-D877 IonicContact NH2-OD1 2.76Å; R785-D877 PolarHBondContact NH2-OD1 2.95Å; R785-D877 IonicContact NH2-OD2 2.8Å; R785-D877 PolarHBondContact NH2-OD2 3.26Å
786	S	42.9	Very low	47.7	Very low	50 Å²	50	61.4 Å²	61.4	35%	0.35	33%	0.329	S	S	.	.			trans	-71.6	129.7	-177	71.2	0	0	0	0	110.2	E782 V783 S788 S791	E782-S786 PolarHBondContact O-N 3.09Å; V783-S786 PolarHBondContact O-N 3.2Å; V783-S786 PolarHBondContact O-OG 3.07Å; S786-S788 PolarHBondContact O-N 3.04Å; S786-S788 VanDerWaalsContact O-N 3.09Å; S786-S788 PolarHBondContact OG-OG 2.77Å; S786-S791 WeakPolarHBondContact O-CB 3.49Å; S786-S791 PolarHBondContact O-OG 3.49Å; S786-S791 VanDerWaalsContact OG-CB 3.3Å; S786-S791 WeakPolarHBondContact OG-CB 3.42Å; S786-S791 PolarHBondContact OG-OG 3.25Å
787	E	50.3	Low	49.7	Very low	129 Å²	129	61.3 Å²	61.3	60%	0.603	33%	0.329	S	S	*	.			trans	-77	18.2	169.7	-66.9	-150	171.8	0	0	113.3	R785 K971	R785-E787 PolarHBondContact O-N 3.12Å; E787-K971 PolarHBondContact O-NZ 3.07Å; E787-K971 IonicContact OE2-NZ 3.77Å; E787-K971 PolarHBondContact OE2-NZ 2.91Å
788	S	51.8	Low	51.5	Low	40 Å²	40	59.4 Å²	59.4	28%	0.28	32%	0.32	S	S	.	.	S	Bend	trans	-72.7	155.8	-169.8	78.2	0	0	0	0	113	S786 K790 S791 S792	S786-S788 PolarHBondContact O-N 3.04Å; S786-S788 VanDerWaalsContact O-N 3.09Å; S786-S788 PolarHBondContact OG-OG 2.77Å; S788-K790 PolarHBondContact O-N 3.02Å; S788-K790 VanDerWaalsContact O-N 3.16Å; S788-K790 PolarHBondContact OG-N 2.97Å; S788-S791 PolarHBondContact N-OG 2.99Å; S788-S791 PolarHBondContact O-N 2.93Å; S788-S791 PolarHBondContact O-OG 3.31Å; S788-S791 PolarHBondContact OG-N 3.11Å; S788-S791 VanDerWaalsContact OG-N 3.14Å; S788-S791 PolarHBondContact OG-OG 3.45Å; S788-S792 PolarHBondContact O-N 2.9Å; S788-S792 VanDerWaalsContact O-N 3.08Å
789	P	54.5	Low	53.6	Low	103 Å²	103	58.2 Å²	58.2	67%	0.669	31%	0.309	S	S	*	.	H	α-helix	trans	-57.7	-29.1	170.4	-26.4	35.5	0	0	0	113.2	S792 T793	P789-S792 WeakPolarHBondContact O-CB 3.46Å; P789-S792 PolarHBondContact O-N 3.3Å; P789-T793 PolarHBondContact O-N 2.95Å; P789-T793 PolarHBondContact O-OG1 3.04Å
790	K	57.6	Low	55.3	Low	167 Å²	167	61.3 Å²	61.3	73%	0.726	32%	0.322	S	S	*	.	H	α-helix	trans	-73.2	-33.3	-179.2	-63.6	-179.4	-179.3	176.5	0	113.2	S788 T793 T794	S788-K790 PolarHBondContact O-N 3.02Å; S788-K790 VanDerWaalsContact O-N 3.16Å; S788-K790 PolarHBondContact OG-N 2.97Å; K790-T793 PolarHBondContact O-OG1 3.02Å; K790-T794 WeakPolarHBondContact O-CB 3.29Å; K790-T794 PolarHBondContact O-N 3.38Å; K790-T794 PolarHBondContact O-OG1 3.37Å
791	S	59	Low	57	Low	10 Å²	10	62.5 Å²	62.5	7%	0.07	32%	0.323	C	S	.	.	H	α-helix	trans	-77.1	-36.6	172.3	44.2	0	0	0	0	111.5	V783 S786 S788 T794 L795	V783-S791 VanDerWaalsContact CG1-CB 3.49Å; V783-S791 WeakPolarHBondContact O-CB 3.2Å; S786-S791 WeakPolarHBondContact O-CB 3.49Å; S786-S791 PolarHBondContact O-OG 3.49Å; S786-S791 VanDerWaalsContact OG-CB 3.3Å; S786-S791 WeakPolarHBondContact OG-CB 3.42Å; S786-S791 PolarHBondContact OG-OG 3.25Å; S788-S791 PolarHBondContact N-OG 2.99Å; S788-S791 PolarHBondContact O-N 2.93Å; S788-S791 PolarHBondContact O-OG 3.31Å; S788-S791 PolarHBondContact OG-N 3.11Å; S788-S791 VanDerWaalsContact OG-N 3.14Å; S788-S791 PolarHBondContact OG-OG 3.45Å; S791-T794 PolarHBondContact O-N 2.8Å; S791-L795 VanDerWaalsContact O-CB 3.24Å; S791-L795 WeakPolarHBondContact O-CB 3.42Å; S791-L795 PolarHBondContact O-N 3.15Å
792	S	60.9	Low	58.6	Low	12 Å²	12	62.8 Å²	62.8	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-53.6	-54.2	170.6	174.2	0	0	0	0	111.5	S788 P789 L795 K796 L968	S788-S792 PolarHBondContact O-N 2.9Å; S788-S792 VanDerWaalsContact O-N 3.08Å; P789-S792 WeakPolarHBondContact O-CB 3.46Å; P789-S792 PolarHBondContact O-N 3.3Å; S792-L795 PolarHBondContact O-N 3.03Å; S792-K796 WeakPolarHBondContact O-CG 3.33Å; S792-K796 PolarHBondContact O-N 3.46Å; S792-K796 WeakPolarHBondContact OG-CE 3.24Å; S792-L968 VanDerWaalsContact CA-CD1 3.48Å; S792-L968 WeakPolarHBondContact OG-CD1 3.45Å
793	T	65.6	Low	60.7	Low	72 Å²	72	55.7 Å²	55.7	44%	0.442	29%	0.289	S	S	.	.	H	α-helix	trans	-63.8	-45.3	178.2	53.5	0	0	0	0	112.7	P789 K790 L795 K796 D797	P789-T793 PolarHBondContact O-N 2.95Å; P789-T793 PolarHBondContact O-OG1 3.04Å; K790-T793 PolarHBondContact O-OG1 3.02Å; T793-L795 VanDerWaalsContact C-N 3.25Å; T793-L795 PolarHBondContact O-N 3.37Å; T793-K796 PolarHBondContact O-N 2.66Å; T793-D797 WeakPolarHBondContact O-CB 3.5Å; T793-D797 PolarHBondContact O-N 2.78Å
794	T	66.8	Low	61.9	Low	43 Å²	43	55 Å²	55	26%	0.264	29%	0.285	S	S	.	.	H	α-helix	trans	-59	-37.1	178.3	-56	0	0	0	0	112.1	I777 V779 V783 K790 S791 A798	I777-T794 HydrophobicContact CG2-CG2 3.93Å; V779-T794 HydrophobicContact CG2-CG2 4.46Å; V783-T794 HydrophobicContact CG1-CG2 4.11Å; K790-T794 WeakPolarHBondContact O-CB 3.29Å; K790-T794 PolarHBondContact O-N 3.38Å; K790-T794 PolarHBondContact O-OG1 3.37Å; S791-T794 PolarHBondContact O-N 2.8Å; T794-A798 WeakPolarHBondContact O-CB 3.36Å; T794-A798 PolarHBondContact O-N 2.86Å
795	L	69.2	Low	63	Low	18 Å²	18	52.9 Å²	52.9	9%	0.094	28%	0.275	C	S	.	.	H	α-helix	trans	-74.2	-43.2	176.9	-178.9	54	0	0	0	112	S791 S792 T793 D797 A798 L799 L958 V960 L965 L968	S791-L795 VanDerWaalsContact O-CB 3.24Å; S791-L795 WeakPolarHBondContact O-CB 3.42Å; S791-L795 PolarHBondContact O-N 3.15Å; S792-L795 PolarHBondContact O-N 3.03Å; T793-L795 VanDerWaalsContact C-N 3.25Å; T793-L795 PolarHBondContact O-N 3.37Å; L795-D797 VanDerWaalsContact C-N 3.29Å; L795-D797 PolarHBondContact O-N 3.38Å; L795-A798 PolarHBondContact O-N 3.38Å; L795-L799 HydrophobicContact CD1-CD1 4.45Å; L795-L799 HydrophobicContact CD1-CG 4.41Å; L795-L799 HydrophobicContact CG-CD1 4.48Å; L795-L799 VanDerWaalsContact O-CG 3.31Å; L795-L799 WeakPolarHBondContact O-CG 3.44Å; L795-L799 PolarHBondContact O-N 3.06Å; L795-L799 VanDerWaalsContact O-N 3.07Å; L795-L958 HydrophobicContact CD1-CD1 4.29Å; L795-L958 HydrophobicContact CD1-CD2 3.52Å; L795-V960 HydrophobicContact CD2-CG2 4.24Å; L795-L965 HydrophobicContact CD2-CD1 4.46Å; L795-L968 HydrophobicContact CB-CD1 4.43Å; L795-L968 HydrophobicContact CB-CD2 4.4Å; L795-L968 HydrophobicContact CD2-CD1 4.24Å; L795-L968 HydrophobicContact CD2-CD2 3.74Å; L795-L968 HydrophobicContact CD2-CG 4.42Å; L795-L968 HydrophobicContact CG-CD2 3.75Å
796	K	70	Confident	64.2	Low	36 Å²	36	47 Å²	47	16%	0.157	25%	0.253	C	S	.	.	H	α-helix	trans	-55.1	-45.1	171.3	-70.5	177.5	-170.5	-173.4	0	110.5	S792 T793 L799 K800 L968 H972 E975	S792-K796 WeakPolarHBondContact O-CG 3.33Å; S792-K796 PolarHBondContact O-N 3.46Å; S792-K796 WeakPolarHBondContact OG-CE 3.24Å; T793-K796 PolarHBondContact O-N 2.66Å; K796-L799 PolarHBondContact O-N 3.37Å; K796-K800 WeakPolarHBondContact O-CG 3.25Å; K796-K800 PolarHBondContact O-N 2.94Å; K796-L968 HydrophobicContact CG-CD1 4.28Å; K796-L968 HydrophobicContact CG-CD2 4.38Å; K796-H972 PolarHBondContact NZ-CD2 3.34Å; K796-E975 IonicContact NZ-OE2 2.73Å; K796-E975 PolarHBondContact NZ-OE2 3.43Å
797	D	70	Confident	65.2	Low	77 Å²	77	49.9 Å²	49.9	41%	0.412	26%	0.261	S	S	.	.	H	α-helix	trans	-69.4	-40.5	179.2	-72.9	-22.2	0	0	0	113.2	I777 T793 L795 L799 K800 I801	I777-D797 HydrophobicContact CD1-CB 3.68Å; T793-D797 WeakPolarHBondContact O-CB 3.5Å; T793-D797 PolarHBondContact O-N 2.78Å; L795-D797 VanDerWaalsContact C-N 3.29Å; L795-D797 PolarHBondContact O-N 3.38Å; D797-L799 VanDerWaalsContact C-N 3.29Å; D797-L799 PolarHBondContact O-N 2.89Å; D797-K800 PolarHBondContact O-N 3.27Å; D797-I801 WeakPolarHBondContact O-CG1 3.45Å; D797-I801 PolarHBondContact O-N 3.49Å
798	A	71.6	Confident	65.3	Low	9 Å²	9	44.1 Å²	44.1	7%	0.074	24%	0.235	C	C	.	.	H	α-helix	trans	-58.7	-41.5	174.4	0	0	0	0	0	112	I777 V779 T794 L795 I801 M802	I777-A798 HydrophobicContact CG2-CB 4.14Å; V779-A798 HydrophobicContact CG2-CB 4.12Å; T794-A798 WeakPolarHBondContact O-CB 3.36Å; T794-A798 PolarHBondContact O-N 2.86Å; L795-A798 PolarHBondContact O-N 3.38Å; A798-I801 PolarHBondContact O-N 3.22Å; A798-M802 WeakPolarHBondContact O-CG 3.47Å; A798-M802 PolarHBondContact O-N 2.76Å
799	L	76.4	Confident	65.4	Low	8 Å²	8	42.6 Å²	42.6	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-66.8	-43.9	176.1	-67.6	171.2	0	0	0	112.1	L795 K796 D797 I801 M802 H803 L958 L965 L968 F969 F1001 L1036	L795-L799 HydrophobicContact CD1-CD1 4.45Å; L795-L799 HydrophobicContact CD1-CG 4.41Å; L795-L799 HydrophobicContact CG-CD1 4.48Å; L795-L799 VanDerWaalsContact O-CG 3.31Å; L795-L799 WeakPolarHBondContact O-CG 3.44Å; L795-L799 PolarHBondContact O-N 3.06Å; L795-L799 VanDerWaalsContact O-N 3.07Å; K796-L799 PolarHBondContact O-N 3.37Å; D797-L799 VanDerWaalsContact C-N 3.29Å; D797-L799 PolarHBondContact O-N 2.89Å; L799-I801 VanDerWaalsContact C-N 3.28Å; L799-I801 PolarHBondContact O-N 3.48Å; L799-M802 HydrophobicContact CD2-CE 3.9Å; L799-M802 PolarHBondContact O-N 2.78Å; L799-H803 PolarHBondContact O-N 3.02Å; L799-H803 VanDerWaalsContact O-N 3.14Å; L799-L958 HydrophobicContact CD2-CD2 4.25Å; L799-L965 HydrophobicContact CD1-CD1 4.23Å; L799-L968 HydrophobicContact CD1-CD2 4.32Å; L799-F969 HydrophobicContact CD1-CZ 3.88Å; L799-F1001 HydrophobicContact CD1-CE1 3.81Å; L799-F1001 HydrophobicContact CD1-CZ 4.32Å; L799-F1001 HydrophobicContact CD2-CE1 3.99Å; L799-F1001 HydrophobicContact CD2-CE2 4.46Å; L799-F1001 HydrophobicContact CD2-CZ 3.62Å; L799-L1036 HydrophobicContact CD2-CD1 3.99Å
800	K	72.1	Confident	65.4	Low	78 Å²	78	39.6 Å²	39.6	34%	0.339	20%	0.201	S	C	.	.	H	α-helix	trans	-59.7	-36.3	174.9	-73	-174.7	-171.1	-159.2	0	112.6	K796 D797 Q810	K796-K800 WeakPolarHBondContact O-CG 3.25Å; K796-K800 PolarHBondContact O-N 2.94Å; D797-K800 PolarHBondContact O-N 3.27Å; K800-Q810 VanDerWaalsContact CE-OE1 3.31Å
801	I	71.1	Confident	65	Low	84 Å²	84	36.5 Å²	36.5	43%	0.431	19%	0.192	S	C	.	.	H	α-helix	trans	-68.2	-54	174	-67.7	172.5	0	0	0	110.3	Y746 I777 D797 A798 L799 H803	Y746-I801 PolarHBondContact OH-O 3.31Å; I777-I801 HydrophobicContact CD1-CD1 3.84Å; I777-I801 HydrophobicContact CG1-CD1 4.41Å; D797-I801 WeakPolarHBondContact O-CG1 3.45Å; D797-I801 PolarHBondContact O-N 3.49Å; A798-I801 PolarHBondContact O-N 3.22Å; L799-I801 VanDerWaalsContact C-N 3.28Å; L799-I801 PolarHBondContact O-N 3.48Å; I801-H803 PolarHBondContact O-N 2.84Å
802	M	70.9	Confident	64.3	Low	16 Å²	16	38 Å²	38	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-62.1	-27.8	-173.4	-73	-171.2	-61.8	0	0	114.5	A798 L799 L958 L1036	A798-M802 WeakPolarHBondContact O-CG 3.47Å; A798-M802 PolarHBondContact O-N 2.76Å; L799-M802 HydrophobicContact CD2-CE 3.9Å; L799-M802 PolarHBondContact O-N 2.78Å; M802-L958 HydrophobicContact CE-CB 3.79Å; M802-L958 HydrophobicContact CE-CD2 3.72Å; M802-L958 HydrophobicContact CE-CG 4.43Å; M802-L958 HydrophobicContact SD-CB 4.08Å; M802-L1036 HydrophobicContact CE-CB 4.05Å
803	H	73.5	Confident	63.2	Low	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.			trans	-126.3	86.4	-172.5	-69.4	-62.4	0	0	0	111.8	L799 I801 L805 F806 D1120 W1121 I1122	L799-H803 PolarHBondContact O-N 3.02Å; L799-H803 VanDerWaalsContact O-N 3.14Å; I801-H803 PolarHBondContact O-N 2.84Å; H803-L805 PolarHBondContact O-N 3.37Å; H803-F806 HydrophobicContact CB-CD2 3.49Å; H803-F806 VanDerWaalsContact CB-CD2 3.49Å; H803-F806 HydrophobicContact CB-CE2 3.42Å; H803-F806 VanDerWaalsContact CB-CE2 3.42Å; H803-F806 WeakPolarHBondContact O-CD2 3.43Å; H803-F806 PolarHBondContact O-N 3.13Å; H803-D1120 IonicContact CE1-OD2 2.7Å; H803-D1120 IonicContact CG-OD2 3.36Å; H803-D1120 IonicContact ND1-OD1 2.7Å; H803-D1120 IonicContact ND1-OD2 3.48Å; H803-D1120 PolarHBondContact ND1-OD2 2.65Å; H803-W1121 AromaticContact CE1-CD1 3.6Å; H803-W1121 AromaticContact CE1-NE1 3.28Å; H803-W1121 PolarHBondContact CE1-NE1 2.99Å; H803-W1121 VanDerWaalsContact CE1-NE1 3.28Å; H803-W1121 AromaticContact NE2-NE1 3.52Å; H803-I1122 HydrophobicContact CB-CD1 4.18Å
804	P	63.9	Low	61.6	Low	22 Å²	22	45.5 Å²	45.5	14%	0.143	23%	0.234	C	C	.	.	H	α-helix	trans	-59.1	-15.5	-175.6	-26.5	35.6	0	0	0	115.6	Y746 F806 Q807 C808	Y746-P804 HydrophobicContact CE2-CG 4.32Å; P804-F806 VanDerWaalsContact C-N 3.28Å; P804-F806 PolarHBondContact O-N 3.04Å; P804-Q807 PolarHBondContact O-N 3.49Å; P804-C808 PolarHBondContact O-N 3.09Å; P804-C808 PolarHBondContact O-SG 3.16Å
805	L	64.8	Low	60.1	Low	3 Å²	3	49.1 Å²	49.1	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-61.2	-33.6	173.6	-179.8	138.4	0	0	0	112.1	H803 C808 L809 L1000 I1122 T1123	H803-L805 PolarHBondContact O-N 3.37Å; L805-C808 PolarHBondContact O-N 2.75Å; L805-L809 HydrophobicContact CD2-CD1 3.63Å; L805-L809 HydrophobicContact CG-CD1 4.27Å; L805-L809 WeakPolarHBondContact O-CG 3.37Å; L805-L809 PolarHBondContact O-N 3.4Å; L805-L1000 HydrophobicContact CD2-CD2 3.76Å; L805-I1122 HydrophobicContact CD2-CG2 4.43Å; L805-T1123 HydrophobicContact CD1-CG2 4.22Å; L805-T1123 WeakPolarHBondContact CD1-OG1 3.32Å
806	F	66.5	Low	58.2	Low	11 Å²	11	55.2 Å²	55.2	5%	0.048	29%	0.294	C	S	.	.	H	α-helix	trans	-68.8	-41.9	178.3	-63.7	-52.7	0	0	0	113.3	H803 P804 C808 L809 Q810 C997 F1001 I1122	H803-F806 HydrophobicContact CB-CD2 3.49Å; H803-F806 VanDerWaalsContact CB-CD2 3.49Å; H803-F806 HydrophobicContact CB-CE2 3.42Å; H803-F806 VanDerWaalsContact CB-CE2 3.42Å; H803-F806 WeakPolarHBondContact O-CD2 3.43Å; H803-F806 PolarHBondContact O-N 3.13Å; P804-F806 VanDerWaalsContact C-N 3.28Å; P804-F806 PolarHBondContact O-N 3.04Å; F806-C808 VanDerWaalsContact C-N 3.27Å; F806-C808 PolarHBondContact O-N 3.07Å; F806-L809 PolarHBondContact O-N 3.31Å; F806-Q810 WeakPolarHBondContact O-CG 3.47Å; F806-Q810 PolarHBondContact O-N 3.22Å; F806-Q810 VanDerWaalsContact O-N 3.09Å; F806-C997 HydrophobicContact CD1-CB 4.15Å; F806-C997 WeakPolarHBondContact CE1-O 3.49Å; F806-F1001 HydrophobicContact CE1-CB 3.82Å; F806-F1001 HydrophobicContact CE2-CB 4.39Å; F806-F1001 AromaticContact CE2-CD2 3.95Å; F806-F1001 HydrophobicContact CE2-CD2 3.95Å; F806-F1001 HydrophobicContact CE2-CG 4.27Å; F806-F1001 HydrophobicContact CZ-CB 3.48Å; F806-F1001 VanDerWaalsContact CZ-CB 3.48Å; F806-F1001 AromaticContact CZ-CD2 3.58Å; F806-F1001 HydrophobicContact CZ-CD2 3.58Å; F806-F1001 AromaticContact CZ-CG 3.75Å; F806-F1001 HydrophobicContact CZ-CG 3.75Å; F806-I1122 HydrophobicContact CE2-CD1 3.82Å; F806-I1122 HydrophobicContact CZ-CD1 3.66Å
807	Q	62.3	Low	56.3	Low	109 Å²	109	57.5 Å²	57.5	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-58.6	-44.2	177.2	-176.2	168.9	22.5	0	0	110.8	P804 L809 Q810 D811	P804-Q807 PolarHBondContact O-N 3.49Å; Q807-L809 VanDerWaalsContact C-N 3.25Å; Q807-L809 PolarHBondContact O-N 3.05Å; Q807-Q810 PolarHBondContact O-N 3.43Å; Q807-D811 WeakPolarHBondContact CG-OD2 3.45Å; Q807-D811 WeakPolarHBondContact O-CB 3.35Å; Q807-D811 PolarHBondContact O-N 3.21Å
808	C	53.9	Low	54.4	Low	9 Å²	9	58.9 Å²	58.9	6%	0.061	33%	0.331	C	S	.	.	H	α-helix	trans	-73.4	-12.1	-178.1	-52.8	0	0	0	0	114.6	P804 L805 F806 S1111 K1114	P804-C808 PolarHBondContact O-N 3.09Å; P804-C808 PolarHBondContact O-SG 3.16Å; L805-C808 PolarHBondContact O-N 2.75Å; F806-C808 VanDerWaalsContact C-N 3.27Å; F806-C808 PolarHBondContact O-N 3.07Å; C808-S1111 WeakPolarHBondContact CB-OG 3.32Å; C808-K1114 PolarHBondContact SG-NZ 2.96Å
809	L	52.7	Low	52.3	Low	8 Å²	8	62.8 Å²	62.8	4%	0.042	36%	0.357	C	S	.	.	H	α-helix	trans	-94.8	-24.3	172.3	-72	172.5	0	0	0	112.4	L805 F806 Q807 C997 L1000 Y1103	L805-L809 HydrophobicContact CD2-CD1 3.63Å; L805-L809 HydrophobicContact CG-CD1 4.27Å; L805-L809 WeakPolarHBondContact O-CG 3.37Å; L805-L809 PolarHBondContact O-N 3.4Å; F806-L809 PolarHBondContact O-N 3.31Å; Q807-L809 VanDerWaalsContact C-N 3.25Å; Q807-L809 PolarHBondContact O-N 3.05Å; L809-C997 WeakPolarHBondContact CB-SG 3.48Å; L809-L1000 HydrophobicContact CD1-CD2 4.08Å; L809-Y1103 HydrophobicContact CD2-CE1 4.06Å
810	Q	54.8	Low	50.2	Low	39 Å²	39	67.8 Å²	67.8	18%	0.182	39%	0.39	C	S	.	.	H	α-helix	trans	-83	-27.4	173.4	-65.7	-171.3	-17.3	0	0	112.9	K800 F806 Q807 K812 Q994	K800-Q810 VanDerWaalsContact CE-OE1 3.31Å; F806-Q810 WeakPolarHBondContact O-CG 3.47Å; F806-Q810 PolarHBondContact O-N 3.22Å; F806-Q810 VanDerWaalsContact O-N 3.09Å; Q807-Q810 PolarHBondContact O-N 3.43Å; Q810-K812 PolarHBondContact O-N 3.17Å; Q810-Q994 HydrophobicContact CG-CG 4.13Å
811	D	50.1	Low	48.4	Very low	102 Å²	102	68.1 Å²	68.1	55%	0.545	40%	0.399	S	S	.	.			trans	-77	20.1	-178.6	-70.2	-22.4	0	0	0	114.4	Q807 Q813	Q807-D811 WeakPolarHBondContact CG-OD2 3.45Å; Q807-D811 WeakPolarHBondContact O-CB 3.35Å; Q807-D811 PolarHBondContact O-N 3.21Å; D811-Q813 VanDerWaalsContact C-N 3.32Å; D811-Q813 PolarHBondContact O-N 2.79Å
812	K	44	Very low	46.8	Very low	42 Å²	42	70.7 Å²	70.7	18%	0.183	41%	0.414	C	S	.	.			trans	-73	82.8	176	-81.2	-177.8	179.8	174.5	0	111	Q810 E993	Q810-K812 PolarHBondContact O-N 3.17Å; K812-E993 VanDerWaalsContact CB-OE1 3.23Å; K812-E993 WeakPolarHBondContact CB-OE1 3.37Å; K812-E993 WeakPolarHBondContact CD-OE1 3.09Å
813	Q	36.1	Very low	45.4	Very low	149 Å²	149	76.8 Å²	76.8	70%	0.696	45%	0.447	S	S	*	.			trans	-55.2	129.5	157.1	-79.2	-75.1	-49.6	0	0	108.9	D811 T815	D811-Q813 VanDerWaalsContact C-N 3.32Å; D811-Q813 PolarHBondContact O-N 2.79Å; Q813-T815 PolarHBondContact O-N 3.11Å
814	P	32.9	Very low	44.2	Very low	93 Å²	93	80.5 Å²	80.5	60%	0.604	46%	0.464	S	S	*	.			trans	-65.8	102.9	-179	25.8	-33.6	0	0	0	109.6	T816	P814-T816 VanDerWaalsContact C-N 3.27Å; P814-T816 PolarHBondContact O-N 3.01Å
815	T	34.4	Very low	43.6	Very low	119 Å²	119	85.2 Å²	85.2	73%	0.73	48%	0.484	S	S	*	.			trans	-73.7	82.3	-179.4	53.9	0	0	0	0	110.5	Q813 S817	Q813-T815 PolarHBondContact O-N 3.11Å; T815-S817 PolarHBondContact O-N 3.17Å
816	T	29.4	Very low	43	Very low	145 Å²	145	89.2 Å²	89.2	89%	0.89	51%	0.512	S	S	*	.			trans	-69.7	58.4	171.9	42.6	0	0	0	0	111.5	P814	P814-T816 VanDerWaalsContact C-N 3.27Å; P814-T816 PolarHBondContact O-N 3.01Å
817	S	31.4	Very low	42.6	Very low	84 Å²	84	94.4 Å²	94.4	59%	0.587	54%	0.537	S	S	*	.			trans	-134.1	84.6	179.9	64.7	0	0	0	0	111.8	T815	T815-S817 PolarHBondContact O-N 3.17Å
818	S	29.3	Very low	42.4	Very low	106 Å²	106	93 Å²	93	74%	0.741	53%	0.533	S	S	*	.			trans	52.8	110.5	151.8	60.2	0	0	0	0	119.6
819	S	28	Very low	42.8	Very low	91 Å²	91	95.2 Å²	95.2	64%	0.636	55%	0.548	S	S	*	.			trans	56.1	119.6	146.3	60.7	0	0	0	0	119.3	T821	S819-T821 PolarHBondContact O-N 3.28Å
820	P	32.2	Very low	43.7	Very low	113 Å²	113	101.7 Å²	101.7	73%	0.734	58%	0.576	S	S	*	*			trans	-60.6	133.5	148.5	30.2	-32.3	0	0	0	108.2
821	T	33.5	Very low	44.4	Very low	86 Å²	86	103.6 Å²	103.6	53%	0.528	59%	0.587	S	S	.	*			trans	-109.4	110.2	162.1	33.3	0	0	0	0	105.6	S819 N823 H824	S819-T821 PolarHBondContact O-N 3.28Å; T821-N823 PolarHBondContact O-N 3.42Å; T821-H824 PolarHBondContact O-N 3.37Å
822	D	38.9	Very low	45.3	Very low	138 Å²	138	100 Å²	100	74%	0.738	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-5.2	-156.3	-50.3	-54.7	0	0	0	114.9	H824	D822-H824 VanDerWaalsContact C-N 3.32Å; D822-H824 PolarHBondContact O-N 2.81Å
823	N	41.1	Very low	46.7	Very low	143 Å²	143	100.8 Å²	100.8	77%	0.765	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-2.6	173.1	-68.7	-59.8	0	0	0	114.5	T821	T821-N823 PolarHBondContact O-N 3.42Å
824	H	48.6	Very low	48.6	Very low	79 Å²	79	97.5 Å²	97.5	37%	0.366	56%	0.56	S	S	.	*	S	Bend	trans	-98.9	-21.7	-173.2	-101.6	-45	0	0	0	117	T821 D822 S826 Q827 N828	T821-H824 PolarHBondContact O-N 3.37Å; D822-H824 VanDerWaalsContact C-N 3.32Å; D822-H824 PolarHBondContact O-N 2.81Å; H824-S826 PolarHBondContact O-N 3.11Å; H824-Q827 PolarHBondContact O-N 3.18Å; H824-N828 PolarHBondContact O-N 3.02Å
825	E	49.7	Very low	50.5	Low	120 Å²	120	93.5 Å²	93.5	56%	0.561	54%	0.535	S	S	*	.	H	α-helix	trans	-59.2	-44.7	-177.2	-72.9	-158.2	120.6	0	0	112.9	Q827 N828 S829 Q1104	E825-Q827 PolarHBondContact O-N 3.14Å; E825-N828 PolarHBondContact O-N 3.37Å; E825-S829 PolarHBondContact O-N 3.04Å; E825-S829 PolarHBondContact O-OG 3.15Å; E825-Q1104 PolarHBondContact OE1-NE2 3.23Å
826	S	53.3	Low	52.5	Low	87 Å²	87	87.9 Å²	87.9	61%	0.608	50%	0.5	S	S	*	.	H	α-helix	trans	-63.2	-24.6	-180	64.4	0	0	0	0	114.1	H824 S829 K830	H824-S826 PolarHBondContact O-N 3.11Å; S826-S829 PolarHBondContact O-OG 3.04Å; S826-K830 WeakPolarHBondContact O-CB 3.35Å
827	Q	58	Low	54.8	Low	120 Å²	120	83.2 Å²	83.2	56%	0.561	47%	0.473	S	S	*	.	H	α-helix	trans	-83.9	-36.7	172.9	-62.3	-170.7	12.5	0	0	111.8	H824 E825 L831	H824-Q827 PolarHBondContact O-N 3.18Å; E825-Q827 PolarHBondContact O-N 3.14Å; Q827-L831 VanDerWaalsContact O-CB 3.3Å; Q827-L831 WeakPolarHBondContact O-CB 3.45Å; Q827-L831 PolarHBondContact O-N 3.3Å
828	N	58.5	Low	56.8	Low	80 Å²	80	80.4 Å²	80.4	43%	0.428	45%	0.451	S	S	.	.	H	α-helix	trans	-70.2	-43.5	179	-70.3	-18.8	0	0	0	111.4	H824 E825 L831 L832	H824-N828 PolarHBondContact O-N 3.02Å; E825-N828 PolarHBondContact O-N 3.37Å; N828-L831 PolarHBondContact O-N 3.22Å; N828-L832 WeakPolarHBondContact O-CB 3.03Å; N828-L832 PolarHBondContact O-N 3.45Å
829	S	62.7	Low	59	Low	56 Å²	56	75.6 Å²	75.6	39%	0.392	42%	0.417	S	S	.	.	H	α-helix	trans	-61.1	-47.8	175.5	63.6	0	0	0	0	111.3	E825 S826 L831 L832 I833	E825-S829 PolarHBondContact O-N 3.04Å; E825-S829 PolarHBondContact O-OG 3.15Å; S826-S829 PolarHBondContact O-OG 3.04Å; S829-L831 VanDerWaalsContact C-N 3.34Å; S829-L831 PolarHBondContact O-N 3.26Å; S829-L832 WeakPolarHBondContact O-CB 3.46Å; S829-L832 PolarHBondContact O-N 3.49Å; S829-L832 VanDerWaalsContact O-N 3.11Å; S829-I833 WeakPolarHBondContact O-CG1 3Å; S829-I833 PolarHBondContact O-N 3.44Å
830	K	69.9	Low	61.1	Low	143 Å²	143	72.3 Å²	72.3	62%	0.622	39%	0.392	S	S	*	.	H	α-helix	trans	-61.9	-39.1	176.3	-172.1	165.4	-173.2	162.4	0	113.1	S826 L832 I833 D834	S826-K830 WeakPolarHBondContact O-CB 3.35Å; K830-L832 VanDerWaalsContact C-N 3.34Å; K830-I833 PolarHBondContact O-N 3.23Å; K830-D834 PolarHBondContact O-N 3.33Å
831	L	69.8	Low	62.9	Low	79 Å²	79	71.6 Å²	71.6	41%	0.414	38%	0.377	S	S	.	.	H	α-helix	trans	-65.5	-37.7	173.8	179.4	62.5	0	0	0	111.8	Q827 N828 S829 D834 C835	Q827-L831 VanDerWaalsContact O-CB 3.3Å; Q827-L831 WeakPolarHBondContact O-CB 3.45Å; Q827-L831 PolarHBondContact O-N 3.3Å; N828-L831 PolarHBondContact O-N 3.22Å; S829-L831 VanDerWaalsContact C-N 3.34Å; S829-L831 PolarHBondContact O-N 3.26Å; L831-D834 PolarHBondContact O-N 3.08Å; L831-C835 WeakPolarHBondContact O-CB 3.45Å; L831-C835 PolarHBondContact O-N 3.3Å; L831-C835 PolarHBondContact O-SG 3.39Å
832	L	70.6	Confident	64.6	Low	28 Å²	28	69 Å²	69	15%	0.147	36%	0.362	C	S	.	.	H	α-helix	trans	-64.9	-42.3	174.4	177.2	59	0	0	0	111.3	N828 S829 K830 C835 L836 M1108 L1112	N828-L832 WeakPolarHBondContact O-CB 3.03Å; N828-L832 PolarHBondContact O-N 3.45Å; S829-L832 WeakPolarHBondContact O-CB 3.46Å; S829-L832 PolarHBondContact O-N 3.49Å; S829-L832 VanDerWaalsContact O-N 3.11Å; K830-L832 VanDerWaalsContact C-N 3.34Å; L832-C835 CarbonylContact O-C 3.44Å; L832-C835 WeakPolarHBondContact O-CB 3.42Å; L832-C835 PolarHBondContact O-N 3.44Å; L832-C835 VanDerWaalsContact O-N 3.17Å; L832-L836 HydrophobicContact CD1-CD1 3.94Å; L832-L836 HydrophobicContact CD1-CD2 4.31Å; L832-L836 HydrophobicContact CD1-CG 3.83Å; L832-L836 HydrophobicContact CG-CD1 3.85Å; L832-L836 HydrophobicContact CG-CG 4.21Å; L832-L836 WeakPolarHBondContact O-CB 3.4Å; L832-L836 VanDerWaalsContact O-CG 3.29Å; L832-L836 WeakPolarHBondContact O-CG 3.36Å; L832-L836 PolarHBondContact O-N 3.07Å; L832-M1108 HydrophobicContact CD1-CE 4.18Å; L832-M1108 HydrophobicContact CD1-SD 3.47Å; L832-M1108 WeakPolarHBondContact CD1-SD 3.42Å; L832-M1108 HydrophobicContact CD2-SD 4.13Å; L832-M1108 HydrophobicContact CG-SD 4.45Å; L832-L1112 HydrophobicContact CD1-CD1 4.23Å
833	I	73	Confident	65.9	Low	57 Å²	57	62.8 Å²	62.8	29%	0.292	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-46.8	175	-65.6	170.2	0	0	0	111.3	S829 K830 C835 L836 S837 L1131	S829-I833 WeakPolarHBondContact O-CG1 3Å; S829-I833 PolarHBondContact O-N 3.44Å; K830-I833 PolarHBondContact O-N 3.23Å; I833-C835 VanDerWaalsContact C-N 3.29Å; I833-C835 PolarHBondContact O-N 2.97Å; I833-L836 PolarHBondContact O-N 3.44Å; I833-S837 WeakPolarHBondContact O-CB 3.35Å; I833-S837 PolarHBondContact O-N 3.01Å; I833-S837 PolarHBondContact O-OG 3.33Å; I833-L1131 HydrophobicContact CG2-CD2 3.93Å
834	D	75.1	Confident	67.1	Low	80 Å²	80	61.8 Å²	61.8	43%	0.428	32%	0.321	S	S	.	.	H	α-helix	trans	-58.8	-40.8	174	-85.1	-12.9	0	0	0	111.1	K830 L831 S837 E838	K830-D834 PolarHBondContact O-N 3.33Å; L831-D834 PolarHBondContact O-N 3.08Å; D834-S837 PolarHBondContact O-OG 2.98Å; D834-E838 WeakPolarHBondContact O-CB 3.46Å; D834-E838 WeakPolarHBondContact O-CG 3.5Å; D834-E838 PolarHBondContact O-N 3.27Å
835	C	73	Confident	67.8	Low	10 Å²	10	60.8 Å²	60.8	7%	0.068	32%	0.316	C	S	.	.	H	α-helix	trans	-69	-43.1	176.9	-75.4	0	0	0	0	113.6	L831 L832 I833 Y839	L831-C835 WeakPolarHBondContact O-CB 3.45Å; L831-C835 PolarHBondContact O-N 3.3Å; L831-C835 PolarHBondContact O-SG 3.39Å; L832-C835 CarbonylContact O-C 3.44Å; L832-C835 WeakPolarHBondContact O-CB 3.42Å; L832-C835 PolarHBondContact O-N 3.44Å; L832-C835 VanDerWaalsContact O-N 3.17Å; I833-C835 VanDerWaalsContact C-N 3.29Å; I833-C835 PolarHBondContact O-N 2.97Å; C835-Y839 WeakPolarHBondContact O-CB 3.35Å; C835-Y839 PolarHBondContact O-N 2.95Å
836	L	76.7	Confident	68.3	Low	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68.9	-37.5	179.8	-69.9	173.3	0	0	0	111.9	L832 I833 Y839 L840 M1108 L1112 A1127 C1130 L1131	L832-L836 HydrophobicContact CD1-CD1 3.94Å; L832-L836 HydrophobicContact CD1-CD2 4.31Å; L832-L836 HydrophobicContact CD1-CG 3.83Å; L832-L836 HydrophobicContact CG-CD1 3.85Å; L832-L836 HydrophobicContact CG-CG 4.21Å; L832-L836 WeakPolarHBondContact O-CB 3.4Å; L832-L836 VanDerWaalsContact O-CG 3.29Å; L832-L836 WeakPolarHBondContact O-CG 3.36Å; L832-L836 PolarHBondContact O-N 3.07Å; I833-L836 PolarHBondContact O-N 3.44Å; L836-Y839 WeakPolarHBondContact O-CB 3.17Å; L836-Y839 PolarHBondContact O-N 3.38Å; L836-L840 PolarHBondContact O-N 3.05Å; L836-M1108 HydrophobicContact CD2-CE 4.03Å; L836-L1112 HydrophobicContact CD2-CD1 3.55Å; L836-L1112 HydrophobicContact CD2-CD2 3.61Å; L836-L1112 HydrophobicContact CD2-CG 4.26Å; L836-L1112 HydrophobicContact CG-CD1 4.32Å; L836-A1127 HydrophobicContact CB-CB 4.44Å; L836-A1127 HydrophobicContact CD2-CB 3.76Å; L836-C1130 HydrophobicContact CD1-CB 3.66Å; L836-L1131 HydrophobicContact CB-CD1 4.28Å; L836-L1131 HydrophobicContact CB-CD2 4.36Å; L836-L1131 HydrophobicContact CB-CG 4.3Å
837	S	77.3	Confident	68.2	Low	47 Å²	47	58.5 Å²	58.5	33%	0.329	29%	0.291	S	S	.	.	H	α-helix	trans	-72.6	-42.5	176.9	58.1	0	0	0	0	112.4	I833 D834 Y839 L840 F841	I833-S837 WeakPolarHBondContact O-CB 3.35Å; I833-S837 PolarHBondContact O-N 3.01Å; I833-S837 PolarHBondContact O-OG 3.33Å; D834-S837 PolarHBondContact O-OG 2.98Å; S837-Y839 VanDerWaalsContact C-N 3.32Å; S837-Y839 PolarHBondContact O-N 3.27Å; S837-L840 PolarHBondContact O-N 2.86Å; S837-F841 WeakPolarHBondContact O-CB 3.49Å; S837-F841 PolarHBondContact O-N 3.21Å
838	E	73.6	Confident	67.7	Low	26 Å²	26	57.2 Å²	57.2	12%	0.121	30%	0.295	C	S	.	.	H	α-helix	trans	-67.2	-30.8	171.3	-68.4	-84.2	-173.6	0	0	111.7	F291 R295 D834 T842	F291-E838 HydrophobicContact CD1-CB 4.22Å; F291-E838 HydrophobicContact CD1-CG 4.42Å; F291-E838 HydrophobicContact CE1-CB 3.9Å; R295-E838 IonicContact CZ-OE1 2.86Å; R295-E838 IonicContact NE-OE1 2.68Å; D834-E838 WeakPolarHBondContact O-CB 3.46Å; D834-E838 WeakPolarHBondContact O-CG 3.5Å; D834-E838 PolarHBondContact O-N 3.27Å; E838-T842 VanDerWaalsContact O-CB 3.28Å; E838-T842 WeakPolarHBondContact O-CB 3.3Å; E838-T842 PolarHBondContact O-N 3.04Å; E838-T842 PolarHBondContact O-OG1 3.27Å
839	Y	75.1	Confident	67	Low	4 Å²	4	56.9 Å²	56.9	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-57.4	170.1	170.5	-95.6	0	0	0	111.4	C835 L836 S837 F841 T842 C843 L1112 S1115 I1116 D1120 T1123 M1124 A1127	C835-Y839 WeakPolarHBondContact O-CB 3.35Å; C835-Y839 PolarHBondContact O-N 2.95Å; L836-Y839 WeakPolarHBondContact O-CB 3.17Å; L836-Y839 PolarHBondContact O-N 3.38Å; S837-Y839 VanDerWaalsContact C-N 3.32Å; S837-Y839 PolarHBondContact O-N 3.27Å; Y839-F841 VanDerWaalsContact C-N 3.32Å; Y839-F841 PolarHBondContact O-N 3.27Å; Y839-T842 CarbonylContact O-C 3.6Å; Y839-T842 WeakPolarHBondContact O-CA 3.49Å; Y839-T842 WeakPolarHBondContact O-CB 3.27Å; Y839-T842 PolarHBondContact O-N 3Å; Y839-C843 VanDerWaalsContact CZ-SG 3.58Å; Y839-C843 PolarHBondContact O-N 3.15Å; Y839-C843 PolarHBondContact O-SG 3.16Å; Y839-L1112 HydrophobicContact CD1-CD2 4.47Å; Y839-L1112 HydrophobicContact CD2-CB 4.41Å; Y839-L1112 WeakPolarHBondContact CD2-O 3.5Å; Y839-L1112 WeakPolarHBondContact CE2-O 3.47Å; Y839-L1112 HydrophobicContact CG-CD2 4.38Å; Y839-S1115 WeakPolarHBondContact CE2-O 3.38Å; Y839-S1115 PolarHBondContact OH-O 2.97Å; Y839-I1116 HydrophobicContact CD2-CD1 4.38Å; Y839-I1116 HydrophobicContact CD2-CG1 3.62Å; Y839-I1116 HydrophobicContact CE2-CG1 3.84Å; Y839-D1120 PolarHBondContact OH-O 3.46Å; Y839-T1123 HydrophobicContact CE1-CG2 3.96Å; Y839-T1123 HydrophobicContact CE2-CG2 4.06Å; Y839-T1123 WeakPolarHBondContact OH-CB 3.46Å; Y839-T1123 WeakPolarHBondContact OH-CG2 3.36Å; Y839-M1124 HydrophobicContact CE1-CG 4.11Å; Y839-A1127 HydrophobicContact CD1-CB 3.81Å; Y839-A1127 HydrophobicContact CE1-CB 4.1Å
840	L	73	Confident	66.2	Low	22 Å²	22	58.6 Å²	58.6	12%	0.115	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-40.1	178.6	-73.6	-172.6	0	0	0	112.1	L836 S837 T842 C843 M844 M1124 A1127 R1128 L1131	L836-L840 PolarHBondContact O-N 3.05Å; S837-L840 PolarHBondContact O-N 2.86Å; L840-T842 VanDerWaalsContact C-N 3.27Å; L840-T842 PolarHBondContact O-N 3.28Å; L840-C843 PolarHBondContact O-N 2.96Å; L840-M844 WeakPolarHBondContact O-CB 3.23Å; L840-M844 VanDerWaalsContact O-CG 3.23Å; L840-M844 WeakPolarHBondContact O-CG 3.32Å; L840-M844 PolarHBondContact O-N 3.21Å; L840-M1124 HydrophobicContact CD2-CB 4.49Å; L840-M1124 HydrophobicContact CD2-CG 4.42Å; L840-A1127 HydrophobicContact CD1-CB 4.24Å; L840-A1127 HydrophobicContact CD2-CB 3.84Å; L840-A1127 HydrophobicContact CG-CB 3.83Å; L840-R1128 HydrophobicContact CD1-CG 3.79Å; L840-R1128 HydrophobicContact CD2-CG 4.21Å; L840-L1131 HydrophobicContact CD1-CD1 3.78Å
841	F	70.4	Confident	64.8	Low	98 Å²	98	54.7 Å²	54.7	43%	0.43	28%	0.283	S	S	.	.	H	α-helix	trans	-61.3	-36.4	175	-177.8	-126.8	0	0	0	112.1	S837 Y839 K845	S837-F841 WeakPolarHBondContact O-CB 3.49Å; S837-F841 PolarHBondContact O-N 3.21Å; Y839-F841 VanDerWaalsContact C-N 3.32Å; Y839-F841 PolarHBondContact O-N 3.27Å; F841-K845 HydrophobicContact CD1-CD 4.47Å; F841-K845 HydrophobicContact CE1-CD 4.27Å; F841-K845 HydrophobicContact CE2-CD 4.44Å; F841-K845 HydrophobicContact CZ-CD 4.27Å; F841-K845 WeakPolarHBondContact O-CB 3.32Å; F841-K845 WeakPolarHBondContact O-CG 3.3Å; F841-K845 PolarHBondContact O-N 3.45Å
842	T	68.2	Low	63.5	Low	33 Å²	33	58.2 Å²	58.2	20%	0.202	30%	0.298	C	S	.	.	H	α-helix	trans	-69.5	-47.2	173.8	-58.4	0	0	0	0	111.1	E838 Y839 L840 M844 K845 L846 I1116	E838-T842 VanDerWaalsContact O-CB 3.28Å; E838-T842 WeakPolarHBondContact O-CB 3.3Å; E838-T842 PolarHBondContact O-N 3.04Å; E838-T842 PolarHBondContact O-OG1 3.27Å; Y839-T842 CarbonylContact O-C 3.6Å; Y839-T842 WeakPolarHBondContact O-CA 3.49Å; Y839-T842 WeakPolarHBondContact O-CB 3.27Å; Y839-T842 PolarHBondContact O-N 3Å; L840-T842 VanDerWaalsContact C-N 3.27Å; L840-T842 PolarHBondContact O-N 3.28Å; T842-M844 PolarHBondContact O-N 3.25Å; T842-K845 CarbonylContact O-C 3.52Å; T842-K845 WeakPolarHBondContact O-CB 3.38Å; T842-K845 PolarHBondContact O-N 3.18Å; T842-K845 VanDerWaalsContact O-N 3.15Å; T842-L846 HydrophobicContact CG2-CD1 4.06Å; T842-L846 HydrophobicContact CG2-CG 4.4Å; T842-L846 WeakPolarHBondContact O-CG 3.36Å; T842-L846 PolarHBondContact O-N 3.08Å; T842-I1116 HydrophobicContact CG2-CG2 3.66Å
843	C	67.3	Low	62.1	Low	7 Å²	7	57.9 Å²	57.9	5%	0.047	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-38.5	177.6	-66.7	0	0	0	0	112.5	Y839 L840 L846 R847 M1124	Y839-C843 VanDerWaalsContact CZ-SG 3.58Å; Y839-C843 PolarHBondContact O-N 3.15Å; Y839-C843 PolarHBondContact O-SG 3.16Å; L840-C843 PolarHBondContact O-N 2.96Å; C843-L846 PolarHBondContact O-N 2.83Å; C843-R847 WeakPolarHBondContact O-CB 3.38Å; C843-R847 PolarHBondContact O-N 3.21Å; C843-M1124 HydrophobicContact CB-SD 4.14Å
844	M	66	Low	60.6	Low	122 Å²	122	60 Å²	60	60%	0.601	31%	0.31	S	S	*	.	H	α-helix	trans	-63.6	-39.1	171.7	-72.4	175.1	72.5	0	0	112.1	L840 T842 R847 S848	L840-M844 WeakPolarHBondContact O-CB 3.23Å; L840-M844 VanDerWaalsContact O-CG 3.23Å; L840-M844 WeakPolarHBondContact O-CG 3.32Å; L840-M844 PolarHBondContact O-N 3.21Å; T842-M844 PolarHBondContact O-N 3.25Å; M844-R847 WeakPolarHBondContact O-CB 3.48Å; M844-R847 PolarHBondContact O-N 3.19Å; M844-S848 PolarHBondContact O-N 3.34Å
845	K	62.4	Low	59.4	Low	57 Å²	57	58.2 Å²	58.2	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-67.8	-43.1	173.2	-83.2	174.4	167.5	176.2	0	112.3	F298 F841 T842 R847 S848 L849	F298-K845 HydrophobicContact CZ-CD 4.46Å; F841-K845 HydrophobicContact CD1-CD 4.47Å; F841-K845 HydrophobicContact CE1-CD 4.27Å; F841-K845 HydrophobicContact CE2-CD 4.44Å; F841-K845 HydrophobicContact CZ-CD 4.27Å; F841-K845 WeakPolarHBondContact O-CB 3.32Å; F841-K845 WeakPolarHBondContact O-CG 3.3Å; F841-K845 PolarHBondContact O-N 3.45Å; T842-K845 CarbonylContact O-C 3.52Å; T842-K845 WeakPolarHBondContact O-CB 3.38Å; T842-K845 PolarHBondContact O-N 3.18Å; T842-K845 VanDerWaalsContact O-N 3.15Å; K845-R847 PolarHBondContact O-N 3.34Å; K845-S848 WeakPolarHBondContact O-CA 3.43Å; K845-S848 WeakPolarHBondContact O-CB 3.3Å; K845-S848 PolarHBondContact O-N 3.01Å; K845-S848 PolarHBondContact O-OG 3.17Å; K845-L849 WeakPolarHBondContact O-CG 3.33Å; K845-L849 PolarHBondContact O-N 3.25Å
846	L	59.5	Low	58.2	Low	32 Å²	32	58.6 Å²	58.6	17%	0.168	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-31.9	173.6	-70.2	171.8	0	0	0	111.5	T842 C843 L849 L851 I1116	T842-L846 HydrophobicContact CG2-CD1 4.06Å; T842-L846 HydrophobicContact CG2-CG 4.4Å; T842-L846 WeakPolarHBondContact O-CG 3.36Å; T842-L846 PolarHBondContact O-N 3.08Å; C843-L846 PolarHBondContact O-N 2.83Å; L846-L849 HydrophobicContact CD2-CD1 4.35Å; L846-L849 CarbonylContact O-C 3.6Å; L846-L849 PolarHBondContact O-N 2.9Å; L846-L851 HydrophobicContact CB-CD1 4.17Å; L846-L851 HydrophobicContact CD2-CD1 4.36Å; L846-I1116 HydrophobicContact CD1-CG2 3.65Å; L846-I1116 VanDerWaalsContact CD1-O 3.24Å; L846-I1116 WeakPolarHBondContact CD1-O 3.22Å
847	R	53.1	Low	57.1	Low	127 Å²	127	60 Å²	60	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-69.6	-32.4	170.2	-164.5	-172.7	-164.7	165.2	18.4	113.5	C843 M844 K845 L849 T913 D915	C843-R847 WeakPolarHBondContact O-CB 3.38Å; C843-R847 PolarHBondContact O-N 3.21Å; M844-R847 WeakPolarHBondContact O-CB 3.48Å; M844-R847 PolarHBondContact O-N 3.19Å; K845-R847 PolarHBondContact O-N 3.34Å; R847-L849 VanDerWaalsContact C-N 3.33Å; R847-T913 PolarHBondContact NH2-OG1 3.07Å; R847-D915 IonicContact CZ-OD2 3.63Å; R847-D915 IonicContact NH1-OD2 2.93Å; R847-D915 PolarHBondContact NH1-OD2 2.69Å; R847-D915 IonicContact NH2-OD2 3.59Å
848	S	45.9	Very low	55.8	Low	94 Å²	94	58.6 Å²	58.6	66%	0.657	30%	0.299	S	S	*	.	H	α-helix	trans	-74.7	-25.5	173.3	77	0	0	0	0	112.9	M844 K845 D850	M844-S848 PolarHBondContact O-N 3.34Å; K845-S848 WeakPolarHBondContact O-CA 3.43Å; K845-S848 WeakPolarHBondContact O-CB 3.3Å; K845-S848 PolarHBondContact O-N 3.01Å; K845-S848 PolarHBondContact O-OG 3.17Å; S848-D850 PolarHBondContact O-N 3.34Å
849	L	44.3	Very low	54.8	Low	72 Å²	72	59 Å²	59	38%	0.377	30%	0.303	S	S	.	.	S	Bend	trans	-85.6	83	170.4	-69.6	165.7	0	0	0	108.8	K845 L846 R847 L851	K845-L849 WeakPolarHBondContact O-CG 3.33Å; K845-L849 PolarHBondContact O-N 3.25Å; L846-L849 HydrophobicContact CD2-CD1 4.35Å; L846-L849 CarbonylContact O-C 3.6Å; L846-L849 PolarHBondContact O-N 2.9Å; R847-L849 VanDerWaalsContact C-N 3.33Å; L849-L851 WeakPolarHBondContact O-CG 3.45Å; L849-L851 PolarHBondContact O-N 3.3Å
850	D	45.1	Very low	53.5	Low	92 Å²	92	66 Å²	66	49%	0.492	33%	0.334	S	S	.	.			trans	-38.5	97.5	177.2	-179.8	29.3	0	0	0	113	S848 Q852	S848-D850 PolarHBondContact O-N 3.34Å; D850-Q852 PolarHBondContact O-N 3.42Å; D850-Q852 VanDerWaalsContact OD2-CG 3.27Å; D850-Q852 WeakPolarHBondContact OD2-CG 3.49Å; D850-Q852 PolarHBondContact OD2-NE2 3.12Å
851	L	42.1	Very low	52.4	Low	61 Å²	61	66.5 Å²	66.5	32%	0.319	34%	0.339	S	S	.	.			trans	-86.6	70	-174	-85.6	163.5	0	0	0	108.9	L846 L849 G853 F855 A856	L846-L851 HydrophobicContact CB-CD1 4.17Å; L846-L851 HydrophobicContact CD2-CD1 4.36Å; L849-L851 WeakPolarHBondContact O-CG 3.45Å; L849-L851 PolarHBondContact O-N 3.3Å; L851-G853 PolarHBondContact O-N 3.18Å; L851-G853 VanDerWaalsContact O-N 3.09Å; L851-F855 HydrophobicContact CB-CB 3.94Å; L851-F855 HydrophobicContact CB-CD2 4.14Å; L851-F855 HydrophobicContact CD1-CB 3.96Å; L851-F855 HydrophobicContact CD1-CD2 3.89Å; L851-F855 HydrophobicContact CD1-CG 4.3Å; L851-F855 HydrophobicContact CD2-CD2 4.18Å; L851-F855 HydrophobicContact CG-CD2 4.28Å; L851-A856 PolarHBondContact O-N 3.14Å
852	Q	40.8	Very low	51.4	Low	154 Å²	154	68.9 Å²	68.9	72%	0.72	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	108.7	-173.7	-68.2	175.5	-9.2	0	0	111.9	D850	D850-Q852 PolarHBondContact O-N 3.42Å; D850-Q852 VanDerWaalsContact OD2-CG 3.27Å; D850-Q852 WeakPolarHBondContact OD2-CG 3.49Å; D850-Q852 PolarHBondContact OD2-NE2 3.12Å
853	G	41.1	Very low	50.3	Low	21 Å²	21	76 Å²	76	22%	0.216	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	115.7	-60.9	175.7	0	0	0	0	0	113.6	L851 Y894	L851-G853 PolarHBondContact O-N 3.18Å; L851-G853 VanDerWaalsContact O-N 3.09Å; G853-Y894 PolarHBondContact O-OH 3.03Å
854	E	42.9	Very low	49.5	Very low	102 Å²	102	82.6 Å²	82.6	48%	0.477	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-34.8	-159.8	-67	170.9	-164.5	0	0	114.8	Y892	E854-Y892 HydrophobicContact CG-CE1 4.41Å; E854-Y892 HydrophobicContact CG-CE2 4.38Å; E854-Y892 PolarHBondContact OE1-OH 2.76Å
855	F	49.5	Very low	49.2	Very low	42 Å²	42	79 Å²	79	18%	0.184	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-1.7	-174.1	-48.1	-64	0	0	0	113.6	L851 T857 P1118 P1119	L851-F855 HydrophobicContact CB-CB 3.94Å; L851-F855 HydrophobicContact CB-CD2 4.14Å; L851-F855 HydrophobicContact CD1-CB 3.96Å; L851-F855 HydrophobicContact CD1-CD2 3.89Å; L851-F855 HydrophobicContact CD1-CG 4.3Å; L851-F855 HydrophobicContact CD2-CD2 4.18Å; L851-F855 HydrophobicContact CG-CD2 4.28Å; F855-T857 VanDerWaalsContact C-N 3.34Å; F855-T857 PolarHBondContact O-N 3.01Å; F855-P1118 HydrophobicContact CD1-CB 3.84Å; F855-P1118 HydrophobicContact CE1-CB 3.54Å; F855-P1118 HydrophobicContact CE1-CG 3.73Å; F855-P1118 HydrophobicContact CZ-CG 4.46Å; F855-P1119 HydrophobicContact CB-CG 4.34Å
856	A	48.1	Very low	49.2	Very low	18 Å²	18	79.4 Å²	79.4	15%	0.149	40%	0.404	C	S	.	.			trans	-71.5	88.5	167.3	0	0	0	0	0	110.2	L851 F858 V859	L851-A856 PolarHBondContact O-N 3.14Å; A856-F858 CarbonylContact O-C 2.9Å; A856-F858 PolarHBondContact O-N 3.38Å; A856-V859 HydrophobicContact CB-CG2 4.39Å
857	T	52.4	Low	49.5	Very low	30 Å²	30	80.7 Å²	80.7	18%	0.184	41%	0.409	C	S	.	.	S	Bend	trans	-38.6	-34.1	175.5	53.3	0	0	0	0	115.4	F855 T913 H954 S1039 N1040	F855-T857 VanDerWaalsContact C-N 3.34Å; F855-T857 PolarHBondContact O-N 3.01Å; T857-T913 HydrophobicContact CG2-CG2 3.96Å; T857-T913 WeakPolarHBondContact OG1-CG2 3.39Å; T857-H954 PolarHBondContact O-CD2 3.29Å; T857-H954 PolarHBondContact O-NE2 3.5Å; T857-S1039 WeakPolarHBondContact CG2-O 3.4Å; T857-N1040 HydrophobicContact CG2-CB 3.8Å
858	F	51.4	Low	50	Low	16 Å²	16	82.9 Å²	82.9	7%	0.07	43%	0.425	C	S	.	.	S	Bend	trans	-127.1	117.5	163.7	-61.5	-79.1	0	0	0	109.1	A856 F860 T913 L952 H954 L1042	A856-F858 CarbonylContact O-C 2.9Å; A856-F858 PolarHBondContact O-N 3.38Å; F858-F860 HydrophobicContact CB-CE2 4.3Å; F858-F860 HydrophobicContact CB-CZ 4.45Å; F858-F860 PolarHBondContact O-N 2.98Å; F858-F860 VanDerWaalsContact O-N 3.17Å; F858-T913 HydrophobicContact CD2-CG2 4.16Å; F858-T913 HydrophobicContact CE2-CG2 3.89Å; F858-L952 HydrophobicContact CB-CD1 3.96Å; F858-L952 HydrophobicContact CB-CG 4.49Å; F858-L952 HydrophobicContact CD1-CD1 4.09Å; F858-L952 HydrophobicContact CD1-CD2 3.55Å; F858-L952 HydrophobicContact CD1-CG 3.75Å; F858-L952 HydrophobicContact CE1-CD2 3.73Å; F858-L952 HydrophobicContact CE1-CG 4.4Å; F858-L952 HydrophobicContact CG-CD1 4.29Å; F858-L952 HydrophobicContact CG-CD2 4.37Å; F858-L952 HydrophobicContact CG-CG 4.45Å; F858-H954 HydrophobicContact CD1-CB 4.47Å; F858-H954 AromaticContact CD1-CD2 3.9Å; F858-H954 AromaticContact CE1-CD2 3.68Å; F858-L1042 HydrophobicContact CE1-CD1 4.48Å; F858-L1042 HydrophobicContact CZ-CD1 4.42Å
859	V	53.2	Low	51.1	Low	34 Å²	34	82.3 Å²	82.3	21%	0.206	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-78.5	95.2	162.3	174.7	0	0	0	0	106.6	A856 P861 Y894 L953	A856-V859 HydrophobicContact CB-CG2 4.39Å; V859-P861 WeakPolarHBondContact O-CD 3.42Å; V859-Y894 HydrophobicContact CB-CE1 4.41Å; V859-Y894 HydrophobicContact CG2-CD1 4.42Å; V859-Y894 HydrophobicContact CG2-CE1 3.74Å; V859-L953 HydrophobicContact CB-CB 4.05Å; V859-L953 HydrophobicContact CG1-CB 4.48Å; V859-L953 HydrophobicContact CG1-CD1 4.24Å; V859-L953 PolarHBondContact N-O 3.07Å; V859-L953 WeakPolarHBondContact O-CB 3.25Å; V859-L953 PolarHBondContact O-N 3.19Å
860	F	47.7	Very low	52.4	Low	151 Å²	151	81 Å²	81	66%	0.662	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-58.9	124.2	167.6	-67.2	-81.6	0	0	0	108.3	F858 L862 L952	F858-F860 HydrophobicContact CB-CE2 4.3Å; F858-F860 HydrophobicContact CB-CZ 4.45Å; F858-F860 PolarHBondContact O-N 2.98Å; F858-F860 VanDerWaalsContact O-N 3.17Å; F860-L862 PolarHBondContact O-N 3.23Å; F860-L862 VanDerWaalsContact O-N 3.16Å; F860-L952 HydrophobicContact CD1-CD1 3.79Å; F860-L952 HydrophobicContact CE1-CD1 3.87Å; F860-L952 HydrophobicContact CG-CD1 4.49Å
861	P	48.6	Very low	53.6	Low	34 Å²	34	81.9 Å²	81.9	22%	0.221	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-59.2	127.1	174.3	22.1	-30.8	0	0	0	109.4	V859 F865 K951	V859-P861 WeakPolarHBondContact O-CD 3.42Å; P861-F865 HydrophobicContact CB-CB 3.54Å; P861-F865 HydrophobicContact CB-CD2 4.41Å; P861-F865 HydrophobicContact CB-CG 4.11Å; P861-K951 WeakPolarHBondContact CD-O 3.45Å; P861-K951 WeakPolarHBondContact CG-O 3.45Å
862	L	49.8	Very low	55.2	Low	148 Å²	148	85.3 Å²	85.3	78%	0.775	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-49	152.1	159.9	-61.1	168.8	0	0	0	108.2	F860 N864 F865	F860-L862 PolarHBondContact O-N 3.23Å; F860-L862 VanDerWaalsContact O-N 3.16Å; L862-N864 PolarHBondContact O-N 2.97Å; L862-F865 PolarHBondContact O-N 2.91Å
863	K	46.1	Very low	56.6	Low	183 Å²	183	80.8 Å²	80.8	80%	0.796	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-0.9	179.8	-66.5	-162.1	172.4	-158.3	0	115.3
864	N	49.8	Very low	58.3	Low	145 Å²	145	80.7 Å²	80.7	78%	0.775	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.9	32.9	-179.2	-52.3	1.5	0	0	0	111.8	L862 N866	L862-N864 PolarHBondContact O-N 2.97Å; N864-N866 PolarHBondContact O-N 2.85Å
865	F	58.8	Low	60	Low	45 Å²	45	79.1 Å²	79.1	20%	0.197	39%	0.394	C	S	.	.			trans	-62.4	100.5	170.1	175.3	-94.1	0	0	0	109.3	P861 L862 E867 W870 K951 L953	P861-F865 HydrophobicContact CB-CB 3.54Å; P861-F865 HydrophobicContact CB-CD2 4.41Å; P861-F865 HydrophobicContact CB-CG 4.11Å; L862-F865 PolarHBondContact O-N 2.91Å; F865-E867 HydrophobicContact CE1-CB 3.93Å; F865-E867 HydrophobicContact CE1-CG 4.36Å; F865-E867 HydrophobicContact CZ-CB 4.43Å; F865-W870 HydrophobicContact CD2-CD2 4.47Å; F865-W870 AromaticContact CD2-CE2 3.98Å; F865-W870 HydrophobicContact CD2-CZ2 4.34Å; F865-W870 AromaticContact CD2-NE1 3.86Å; F865-W870 AromaticContact CE2-CD1 3.89Å; F865-W870 AromaticContact CE2-CD2 3.7Å; F865-W870 HydrophobicContact CE2-CD2 3.7Å; F865-W870 AromaticContact CE2-CE2 3.67Å; F865-W870 HydrophobicContact CE2-CE3 4.26Å; F865-W870 AromaticContact CE2-CG 3.87Å; F865-W870 HydrophobicContact CE2-CG 3.87Å; F865-W870 HydrophobicContact CE2-CZ2 4.21Å; F865-W870 AromaticContact CE2-NE1 3.78Å; F865-W870 HydrophobicContact CZ-CG 4.38Å; F865-K951 HydrophobicContact CD1-CD 4.31Å; F865-K951 HydrophobicContact CE1-CD 3.94Å; F865-L953 HydrophobicContact CD2-CD1 3.98Å; F865-L953 HydrophobicContact CE2-CD1 3.83Å; F865-L953 HydrophobicContact CE2-CD2 4.15Å; F865-L953 HydrophobicContact CE2-CG 4.49Å; F865-L953 HydrophobicContact CZ-CD2 4.46Å
866	N	63.6	Low	61.3	Low	66 Å²	66	77.6 Å²	77.6	35%	0.353	39%	0.388	S	S	.	.			trans	-99.3	106.4	174.3	-174.5	2.7	0	0	0	108.8	N864 Q868 V869	N864-N866 PolarHBondContact O-N 2.85Å; N866-Q868 PolarHBondContact ND2-OE1 2.97Å; N866-Q868 VanDerWaalsContact ND2-OE1 3.13Å; N866-Q868 PolarHBondContact O-N 3.4Å; N866-Q868 VanDerWaalsContact O-N 3.11Å; N866-Q868 VanDerWaalsContact OD1-CB 3.26Å; N866-Q868 WeakPolarHBondContact OD1-CB 3.35Å; N866-Q868 VanDerWaalsContact OD1-CG 3.26Å; N866-Q868 WeakPolarHBondContact OD1-CG 3.38Å; N866-Q868 PolarHBondContact OD1-N 2.89Å; N866-Q868 VanDerWaalsContact OD1-N 3.07Å; N866-Q868 PolarHBondContact OD1-OE1 3.28Å; N866-V869 HydrophobicContact CB-CG2 3.96Å; N866-V869 PolarHBondContact O-N 2.91Å
867	E	64.4	Low	62.1	Low	59 Å²	59	78.7 Å²	78.7	28%	0.276	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-56.9	-24.8	178	-165.3	167.2	152.3	0	0	112.3	F865 V869 W870 K872 K951	F865-E867 HydrophobicContact CE1-CB 3.93Å; F865-E867 HydrophobicContact CE1-CG 4.36Å; F865-E867 HydrophobicContact CZ-CB 4.43Å; E867-V869 PolarHBondContact O-N 3.11Å; E867-W870 PolarHBondContact O-N 3.41Å; E867-K872 IonicContact OE1-NZ 2.65Å; E867-K872 PolarHBondContact OE1-NZ 3.34Å; E867-K951 IonicContact OE2-NZ 3.4Å; E867-K951 PolarHBondContact OE2-NZ 3.08Å
868	Q	64.8	Low	63.1	Low	174 Å²	174	83.1 Å²	83.1	81%	0.813	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-67	-18.6	175.7	-57.1	171.5	-28.4	0	0	114.2	N866	N866-Q868 PolarHBondContact ND2-OE1 2.97Å; N866-Q868 VanDerWaalsContact ND2-OE1 3.13Å; N866-Q868 PolarHBondContact O-N 3.4Å; N866-Q868 VanDerWaalsContact O-N 3.11Å; N866-Q868 VanDerWaalsContact OD1-CB 3.26Å; N866-Q868 WeakPolarHBondContact OD1-CB 3.35Å; N866-Q868 VanDerWaalsContact OD1-CG 3.26Å; N866-Q868 WeakPolarHBondContact OD1-CG 3.38Å; N866-Q868 PolarHBondContact OD1-N 2.89Å; N866-Q868 VanDerWaalsContact OD1-N 3.07Å; N866-Q868 PolarHBondContact OD1-OE1 3.28Å
869	V	67.6	Low	64.4	Low	81 Å²	81	82.9 Å²	82.9	49%	0.491	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-99.3	-7.2	-179.8	-163.4	0	0	0	0	111.1	N866 E867 P888	N866-V869 HydrophobicContact CB-CG2 3.96Å; N866-V869 PolarHBondContact O-N 2.91Å; E867-V869 PolarHBondContact O-N 3.11Å; V869-P888 HydrophobicContact CG1-CB 4.22Å; V869-P888 HydrophobicContact CG1-CG 4.12Å; V869-P888 WeakPolarHBondContact O-CB 3.49Å
870	W	73	Confident	65.4	Low	46 Å²	46	87 Å²	87	17%	0.174	43%	0.433	C	S	.	.	S	Bend	trans	-103.4	131.9	179.9	-75.5	64.2	0	0	0	109.7	F865 E867 K872 V885 A887 Y894 L953	F865-W870 HydrophobicContact CD2-CD2 4.47Å; F865-W870 AromaticContact CD2-CE2 3.98Å; F865-W870 HydrophobicContact CD2-CZ2 4.34Å; F865-W870 AromaticContact CD2-NE1 3.86Å; F865-W870 AromaticContact CE2-CD1 3.89Å; F865-W870 AromaticContact CE2-CD2 3.7Å; F865-W870 HydrophobicContact CE2-CD2 3.7Å; F865-W870 AromaticContact CE2-CE2 3.67Å; F865-W870 HydrophobicContact CE2-CE3 4.26Å; F865-W870 AromaticContact CE2-CG 3.87Å; F865-W870 HydrophobicContact CE2-CG 3.87Å; F865-W870 HydrophobicContact CE2-CZ2 4.21Å; F865-W870 AromaticContact CE2-NE1 3.78Å; F865-W870 HydrophobicContact CZ-CG 4.38Å; E867-W870 PolarHBondContact O-N 3.41Å; W870-K872 PolarHBondContact O-N 3.01Å; W870-K872 VanDerWaalsContact O-N 3.11Å; W870-V885 HydrophobicContact CB-CB 4.36Å; W870-V885 HydrophobicContact CD2-CG2 4.48Å; W870-V885 HydrophobicContact CE3-CB 4.02Å; W870-V885 HydrophobicContact CE3-CG2 3.54Å; W870-V885 HydrophobicContact CZ3-CG2 3.99Å; W870-A887 HydrophobicContact CE3-CB 4.03Å; W870-A887 HydrophobicContact CH2-CB 3.58Å; W870-A887 HydrophobicContact CZ2-CB 4.09Å; W870-A887 HydrophobicContact CZ3-CB 3.56Å; W870-Y894 HydrophobicContact CH2-CD2 4.17Å; W870-Y894 HydrophobicContact CH2-CE2 4.37Å; W870-Y894 AromaticContact CZ3-CD2 3.63Å; W870-Y894 HydrophobicContact CZ3-CD2 3.63Å; W870-Y894 HydrophobicContact CZ3-CE2 4.19Å; W870-Y894 HydrophobicContact CZ3-CG 4.16Å; W870-L953 HydrophobicContact CH2-CD1 3.54Å; W870-L953 HydrophobicContact CZ2-CD1 3.95Å; W870-L953 HydrophobicContact CZ3-CD1 3.97Å
871	N	69.8	Low	66.7	Low	110 Å²	110	84.3 Å²	84.3	59%	0.588	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	107.2	-178.8	-71.2	-42.6	0	0	0	108.9	Y873 V885 C886	N871-Y873 PolarHBondContact O-N 2.86Å; N871-V885 CarbonylContact O-C 3.4Å; N871-V885 WeakPolarHBondContact O-CA 3.41Å; N871-C886 HydrophobicContact CB-CB 4.34Å; N871-C886 PolarHBondContact N-O 3.2Å; N871-C886 PolarHBondContact O-N 3.1Å
872	K	75.4	Confident	68.3	Low	133 Å²	133	82.7 Å²	82.7	58%	0.578	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.1	115.2	174.5	-154.1	160.1	-168.7	161.4	0	108.6	E867 W870 V885	E867-K872 IonicContact OE1-NZ 2.65Å; E867-K872 PolarHBondContact OE1-NZ 3.34Å; W870-K872 PolarHBondContact O-N 3.01Å; W870-K872 VanDerWaalsContact O-N 3.11Å; K872-V885 HydrophobicContact CG-CG1 4.37Å
873	Y	70.8	Confident	69.7	Low	59 Å²	59	76.4 Å²	76.4	23%	0.231	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-31.9	-160.4	-173.6	-109.3	0	0	0	112.6	F759 N871 I884 E893	F759-Y873 HydrophobicContact CB-CE1 3.8Å; F759-Y873 AromaticContact CD2-CE1 3.69Å; F759-Y873 HydrophobicContact CD2-CE1 3.69Å; F759-Y873 HydrophobicContact CG-CE1 4.09Å; F759-Y873 PolarHBondContact N-OH 3.14Å; N871-Y873 PolarHBondContact O-N 2.86Å; Y873-I884 HydrophobicContact CD1-CG2 4.03Å; Y873-I884 PolarHBondContact N-O 3.5Å; Y873-E893 HydrophobicContact CD1-CG 4.22Å; Y873-E893 HydrophobicContact CE1-CG 4.03Å; Y873-E893 WeakPolarHBondContact CE1-OE1 3.42Å; Y873-E893 VanDerWaalsContact CE1-OE2 3.26Å; Y873-E893 WeakPolarHBondContact CE1-OE2 3.22Å; Y873-E893 PolarHBondContact OH-OE1 2.87Å
874	G	75.9	Confident	71.4	Confident	19 Å²	19	68.4 Å²	68.4	20%	0.196	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	-169.2	173.8	0	0	0	0	0	112.9	S883 I884	G874-S883 WeakPolarHBondContact O-CA 3.4Å; G874-I884 PolarHBondContact N-O 3.18Å; G874-I884 PolarHBondContact O-N 3.28Å
875	I	79.3	Confident	72.7	Confident	69 Å²	69	61.5 Å²	61.5	35%	0.354	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	159.8	164.9	54.4	172.7	0	0	0	108.2	Y761 N880 I882	Y761-I875 PolarHBondContact OH-O 3.23Å; I875-N880 HydrophobicContact CD1-CB 4.4Å; I875-I882 WeakPolarHBondContact CA-O 3.38Å
876	I	76.3	Confident	73.4	Confident	10 Å²	10	60 Å²	60	5%	0.051	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.9	169.2	-59.5	-175.9	0	0	0	108.5	W879 I882 I884 V895 I956 A959 L1033 I1035	I876-W879 HydrophobicContact CB-CB 3.94Å; I876-W879 HydrophobicContact CG2-CB 3.94Å; I876-W879 HydrophobicContact CG2-CG 4.3Å; I876-W879 CarbonylContact O-C 3.56Å; I876-W879 WeakPolarHBondContact O-CA 3.24Å; I876-W879 WeakPolarHBondContact O-CB 3.47Å; I876-W879 PolarHBondContact O-N 2.99Å; I876-I882 HydrophobicContact CD1-CG2 3.84Å; I876-I882 HydrophobicContact CG1-CG2 4.21Å; I876-I882 PolarHBondContact N-O 3.48Å; I876-I882 VanDerWaalsContact N-O 3.08Å; I876-I884 HydrophobicContact CG1-CD1 4.1Å; I876-I884 HydrophobicContact CG1-CG1 4.27Å; I876-V895 HydrophobicContact CD1-CG2 4.19Å; I876-I956 HydrophobicContact CD1-CD1 4.43Å; I876-A959 HydrophobicContact CD1-CB 4.2Å; I876-L1033 HydrophobicContact CD1-CD2 3.93Å; I876-L1033 HydrophobicContact CG2-CD1 4.42Å; I876-L1033 HydrophobicContact CG2-CD2 4.24Å; I876-I1035 HydrophobicContact CD1-CD1 4.46Å
877	D	66.3	Low	73.6	Confident	40 Å²	40	57.4 Å²	57.4	21%	0.214	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	137.7	178.6	-78.3	-67.4	0	0	0	112.7	Y761 A781 R785 W879	Y761-D877 WeakPolarHBondContact CE1-OD2 3.35Å; Y761-D877 PolarHBondContact OH-OD2 3.5Å; A781-D877 WeakPolarHBondContact CB-OD2 3.48Å; R785-D877 VanDerWaalsContact CZ-CG 3.42Å; R785-D877 IonicContact CZ-OD1 3.76Å; R785-D877 IonicContact CZ-OD2 3.76Å; R785-D877 IonicContact NH1-OD1 3.2Å; R785-D877 IonicContact NH1-OD2 3.43Å; R785-D877 PolarHBondContact NH1-OD2 3.32Å; R785-D877 IonicContact NH2-OD1 2.76Å; R785-D877 PolarHBondContact NH2-OD1 2.95Å; R785-D877 IonicContact NH2-OD2 2.8Å; R785-D877 PolarHBondContact NH2-OD2 3.26Å; D877-W879 VanDerWaalsContact O-CD1 3.31Å; D877-W879 PolarHBondContact O-N 3.09Å; D877-W879 VanDerWaalsContact O-N 3.13Å
878	N	71.8	Confident	73.6	Confident	124 Å²	124	56.9 Å²	56.9	66%	0.663	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	11.7	-171.6	-59.8	-7.5	0	0	0	114.6	K1046	N878-K1046 PolarHBondContact O-NZ 2.63Å
879	W	79.4	Confident	73.6	Confident	10 Å²	10	57 Å²	57	4%	0.038	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	48.4	-176.9	-73.2	91.7	0	0	0	110.7	I876 D877 E881 I882 I907 H1031 L1033 I1044 K1046	I876-W879 HydrophobicContact CB-CB 3.94Å; I876-W879 HydrophobicContact CG2-CB 3.94Å; I876-W879 HydrophobicContact CG2-CG 4.3Å; I876-W879 CarbonylContact O-C 3.56Å; I876-W879 WeakPolarHBondContact O-CA 3.24Å; I876-W879 WeakPolarHBondContact O-CB 3.47Å; I876-W879 PolarHBondContact O-N 2.99Å; D877-W879 VanDerWaalsContact O-CD1 3.31Å; D877-W879 PolarHBondContact O-N 3.09Å; D877-W879 VanDerWaalsContact O-N 3.13Å; W879-E881 PolarHBondContact O-N 2.87Å; W879-I882 HydrophobicContact CB-CD1 4.16Å; W879-I882 HydrophobicContact CB-CG1 4.35Å; W879-I882 HydrophobicContact CD2-CD1 4.21Å; W879-I882 HydrophobicContact CE3-CD1 3.57Å; W879-I882 HydrophobicContact CE3-CG1 4.43Å; W879-I882 HydrophobicContact CG-CD1 4.49Å; W879-I882 HydrophobicContact CZ3-CD1 4.25Å; W879-I882 WeakPolarHBondContact O-CB 3.34Å; W879-I882 PolarHBondContact O-N 3.16Å; W879-I907 HydrophobicContact CE3-CG2 3.93Å; W879-I907 HydrophobicContact CZ3-CG2 3.74Å; W879-H1031 VanDerWaalsContact CH2-O 3.22Å; W879-H1031 WeakPolarHBondContact CH2-O 3.5Å; W879-H1031 VanDerWaalsContact CZ2-O 3.32Å; W879-H1031 WeakPolarHBondContact CZ2-O 3.43Å; W879-L1033 HydrophobicContact CD2-CB 4.26Å; W879-L1033 HydrophobicContact CD2-CD2 4.01Å; W879-L1033 HydrophobicContact CE3-CD2 4.38Å; W879-L1033 HydrophobicContact CG-CD2 4.16Å; W879-L1033 HydrophobicContact CH2-CB 3.81Å; W879-L1033 HydrophobicContact CZ2-CB 3.41Å; W879-L1033 VanDerWaalsContact CZ2-CB 3.41Å; W879-L1033 HydrophobicContact CZ3-CB 4.42Å; W879-I1044 HydrophobicContact CH2-CG2 4.32Å; W879-I1044 WeakPolarHBondContact CH2-O 3.24Å; W879-I1044 HydrophobicContact CZ3-CB 4.38Å; W879-I1044 HydrophobicContact CZ3-CG2 3.76Å; W879-K1046 VanDerWaalsContact CE2-CE 3.43Å; W879-K1046 HydrophobicContact CE3-CG 4.23Å; W879-K1046 HydrophobicContact CH2-CD 4.26Å; W879-K1046 HydrophobicContact CH2-CG 3.41Å; W879-K1046 VanDerWaalsContact CH2-CG 3.41Å; W879-K1046 HydrophobicContact CZ2-CD 4.29Å; W879-K1046 HydrophobicContact CZ2-CG 3.91Å; W879-K1046 HydrophobicContact CZ3-CD 4.45Å; W879-K1046 HydrophobicContact CZ3-CG 3.57Å
880	N	73.6	Confident	73.4	Confident	120 Å²	120	55.6 Å²	55.6	64%	0.642	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.5	-20.6	-169.1	-56.8	-0.6	0	0	0	115.6	I875 I882	I875-N880 HydrophobicContact CD1-CB 4.4Å; N880-I882 PolarHBondContact O-N 2.77Å
881	E	75.3	Confident	73.1	Confident	95 Å²	95	58.6 Å²	58.6	44%	0.444	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-17.2	173.3	-76.9	161.4	-112.9	0	0	113.3	W879 K906	W879-E881 PolarHBondContact O-N 2.87Å; E881-K906 WeakPolarHBondContact OE1-CB 3.5Å; E881-K906 WeakPolarHBondContact OE2-CB 3.47Å; E881-K906 PolarHBondContact OE2-N 3.01Å
882	I	81.7	Confident	72.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	96.6	-174.8	-51.8	-173.8	0	0	0	109.6	I875 I876 W879 N880 V895 I907 L1033 I1044	I875-I882 WeakPolarHBondContact CA-O 3.38Å; I876-I882 HydrophobicContact CD1-CG2 3.84Å; I876-I882 HydrophobicContact CG1-CG2 4.21Å; I876-I882 PolarHBondContact N-O 3.48Å; I876-I882 VanDerWaalsContact N-O 3.08Å; W879-I882 HydrophobicContact CB-CD1 4.16Å; W879-I882 HydrophobicContact CB-CG1 4.35Å; W879-I882 HydrophobicContact CD2-CD1 4.21Å; W879-I882 HydrophobicContact CE3-CD1 3.57Å; W879-I882 HydrophobicContact CE3-CG1 4.43Å; W879-I882 HydrophobicContact CG-CD1 4.49Å; W879-I882 HydrophobicContact CZ3-CD1 4.25Å; W879-I882 WeakPolarHBondContact O-CB 3.34Å; W879-I882 PolarHBondContact O-N 3.16Å; N880-I882 PolarHBondContact O-N 2.77Å; I882-V895 HydrophobicContact CG2-CB 4.42Å; I882-V895 HydrophobicContact CG2-CG1 3.32Å; I882-V895 HydrophobicContact CG2-CG2 4.31Å; I882-I907 HydrophobicContact CD1-CD1 4.12Å; I882-I907 HydrophobicContact CG1-CD1 3.81Å; I882-L1033 HydrophobicContact CD1-CD2 3.87Å; I882-I1044 HydrophobicContact CD1-CD1 3.85Å; I882-I1044 HydrophobicContact CD1-CG2 4.26Å
883	S	80.7	Confident	72.8	Confident	16 Å²	16	53.9 Å²	53.9	11%	0.112	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	137	175.7	66	0	0	0	0	112.5	G874 V896	G874-S883 WeakPolarHBondContact O-CA 3.4Å; S883-V896 WeakPolarHBondContact O-CG2 3.49Å; S883-V896 PolarHBondContact O-N 2.95Å
884	I	82.1	Confident	73	Confident	16 Å²	16	51.7 Å²	51.7	8%	0.082	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	132.5	171	-54.9	173.8	0	0	0	108.9	Y873 G874 I876 E893 Y894 V895 I956	Y873-I884 HydrophobicContact CD1-CG2 4.03Å; Y873-I884 PolarHBondContact N-O 3.5Å; G874-I884 PolarHBondContact N-O 3.18Å; G874-I884 PolarHBondContact O-N 3.28Å; I876-I884 HydrophobicContact CG1-CD1 4.1Å; I876-I884 HydrophobicContact CG1-CG1 4.27Å; I884-E893 HydrophobicContact CG2-CB 4.03Å; I884-Y894 CarbonylContact C-O 3.5Å; I884-Y894 WeakPolarHBondContact CA-O 3.37Å; I884-V895 HydrophobicContact CG1-CG2 4.15Å; I884-I956 HydrophobicContact CD1-CD1 4.35Å; I884-I956 HydrophobicContact CG2-CG2 4.36Å
885	V	75.9	Confident	73.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.2	176.4	-65.2	0	0	0	0	110.4	W870 N871 K872 Y894 V896 L953	W870-V885 HydrophobicContact CB-CB 4.36Å; W870-V885 HydrophobicContact CD2-CG2 4.48Å; W870-V885 HydrophobicContact CE3-CB 4.02Å; W870-V885 HydrophobicContact CE3-CG2 3.54Å; W870-V885 HydrophobicContact CZ3-CG2 3.99Å; N871-V885 CarbonylContact O-C 3.4Å; N871-V885 WeakPolarHBondContact O-CA 3.41Å; K872-V885 HydrophobicContact CG-CG1 4.37Å; V885-Y894 PolarHBondContact N-O 3.18Å; V885-Y894 PolarHBondContact O-N 3.16Å; V885-V896 HydrophobicContact CB-CG2 4.16Å; V885-V896 HydrophobicContact CG1-CG2 3.61Å; V885-V896 HydrophobicContact CG2-CG2 3.45Å; V885-V896 VanDerWaalsContact CG2-CG2 3.45Å; V885-L953 HydrophobicContact CG2-CD2 3.95Å
886	C	73.8	Confident	73.2	Confident	13 Å²	13	47.7 Å²	47.7	9%	0.088	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.9	175.3	-177.8	0	0	0	0	110.5	N871 T890 Y892	N871-C886 HydrophobicContact CB-CB 4.34Å; N871-C886 PolarHBondContact N-O 3.2Å; N871-C886 PolarHBondContact O-N 3.1Å; C886-T890 PolarHBondContact SG-O 3.25Å; C886-Y892 WeakPolarHBondContact CA-O 3.44Å
887	A	67.9	Low	73.4	Confident	11 Å²	11	47.3 Å²	47.3	9%	0.091	25%	0.248	C	C	.	.			trans	-72.7	138.1	-176.5	0	0	0	0	0	111.7	W870 N889 T890 Y892 Y894	W870-A887 HydrophobicContact CE3-CB 4.03Å; W870-A887 HydrophobicContact CH2-CB 3.58Å; W870-A887 HydrophobicContact CZ2-CB 4.09Å; W870-A887 HydrophobicContact CZ3-CB 3.56Å; A887-N889 PolarHBondContact O-N 3.45Å; A887-T890 HydrophobicContact CB-CG2 4.43Å; A887-T890 WeakPolarHBondContact CB-OG1 3.38Å; A887-T890 PolarHBondContact O-N 3.04Å; A887-T890 PolarHBondContact O-OG1 3.04Å; A887-Y892 PolarHBondContact N-O 3.45Å; A887-Y894 HydrophobicContact CB-CD2 4.31Å; A887-Y894 HydrophobicContact CB-CE2 3.85Å
888	P	64.3	Low	73.8	Confident	48 Å²	48	48.6 Å²	48.6	31%	0.312	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	134.4	-174.3	20.9	-33.3	0	0	0	112.9	V869 T890	V869-P888 HydrophobicContact CG1-CB 4.22Å; V869-P888 HydrophobicContact CG1-CG 4.12Å; V869-P888 WeakPolarHBondContact O-CB 3.49Å; P888-T890 PolarHBondContact O-N 3.16Å
889	N	64.3	Low	73.6	Confident	176 Å²	176	45.1 Å²	45.1	94%	0.941	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	18.4	-175.7	-48.8	-57.7	0	0	0	115.4	A887	A887-N889 PolarHBondContact O-N 3.45Å
890	T	64.7	Low	72.5	Confident	53 Å²	53	46.7 Å²	46.7	33%	0.325	25%	0.254	S	S	.	.	S	Bend	trans	-125.5	173.3	172.4	78.8	0	0	0	0	111.1	C886 A887 P888 Y892	C886-T890 PolarHBondContact SG-O 3.25Å; A887-T890 HydrophobicContact CB-CG2 4.43Å; A887-T890 WeakPolarHBondContact CB-OG1 3.38Å; A887-T890 PolarHBondContact O-N 3.04Å; A887-T890 PolarHBondContact O-OG1 3.04Å; P888-T890 PolarHBondContact O-N 3.16Å; T890-Y892 HydrophobicContact CG2-CD2 4.19Å; T890-Y892 PolarHBondContact OG1-N 3.1Å; T890-Y892 VanDerWaalsContact OG1-N 3.11Å
891	N	65.9	Low	71.6	Confident	109 Å²	109	49.2 Å²	49.2	58%	0.583	26%	0.259	S	S	*	.			trans	-106.8	16.8	164.6	-62.5	-21.4	0	0	0	111.4	E893	N891-E893 PolarHBondContact O-N 3.3Å
892	Y	65.7	Low	70.7	Confident	110 Å²	110	47.8 Å²	47.8	43%	0.431	25%	0.252	S	S	.	.			trans	-84.1	116.1	-176.9	-68.6	-63.7	0	0	0	110.5	E854 C886 A887 T890 Y894	E854-Y892 HydrophobicContact CG-CE1 4.41Å; E854-Y892 HydrophobicContact CG-CE2 4.38Å; E854-Y892 PolarHBondContact OE1-OH 2.76Å; C886-Y892 WeakPolarHBondContact CA-O 3.44Å; A887-Y892 PolarHBondContact N-O 3.45Å; T890-Y892 HydrophobicContact CG2-CD2 4.19Å; T890-Y892 PolarHBondContact OG1-N 3.1Å; T890-Y892 VanDerWaalsContact OG1-N 3.11Å; Y892-Y894 VanDerWaalsContact O-CD2 3.24Å; Y892-Y894 WeakPolarHBondContact O-CD2 3.46Å; Y892-Y894 WeakPolarHBondContact O-CE2 3.22Å
893	E	72.9	Confident	69.3	Low	34 Å²	34	52.5 Å²	52.5	16%	0.159	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	134.5	177.2	-62.4	179.1	-157.7	0	0	110.1	Y873 I884 N891 I956	Y873-E893 HydrophobicContact CD1-CG 4.22Å; Y873-E893 HydrophobicContact CE1-CG 4.03Å; Y873-E893 WeakPolarHBondContact CE1-OE1 3.42Å; Y873-E893 VanDerWaalsContact CE1-OE2 3.26Å; Y873-E893 WeakPolarHBondContact CE1-OE2 3.22Å; Y873-E893 PolarHBondContact OH-OE1 2.87Å; I884-E893 HydrophobicContact CG2-CB 4.03Å; N891-E893 PolarHBondContact O-N 3.3Å; E893-I956 HydrophobicContact CB-CG2 3.67Å; E893-I956 WeakPolarHBondContact O-CG2 3.26Å; E893-I956 PolarHBondContact O-N 3.04Å; E893-I956 VanDerWaalsContact O-N 3.1Å
894	Y	75.8	Confident	68	Low	12 Å²	12	55.5 Å²	55.5	5%	0.047	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.6	178.9	-62	-93.5	0	0	0	110.1	G853 V859 W870 I884 V885 A887 Y892 L953 H954	G853-Y894 PolarHBondContact O-OH 3.03Å; V859-Y894 HydrophobicContact CB-CE1 4.41Å; V859-Y894 HydrophobicContact CG2-CD1 4.42Å; V859-Y894 HydrophobicContact CG2-CE1 3.74Å; W870-Y894 HydrophobicContact CH2-CD2 4.17Å; W870-Y894 HydrophobicContact CH2-CE2 4.37Å; W870-Y894 AromaticContact CZ3-CD2 3.63Å; W870-Y894 HydrophobicContact CZ3-CD2 3.63Å; W870-Y894 HydrophobicContact CZ3-CE2 4.19Å; W870-Y894 HydrophobicContact CZ3-CG 4.16Å; I884-Y894 CarbonylContact C-O 3.5Å; I884-Y894 WeakPolarHBondContact CA-O 3.37Å; V885-Y894 PolarHBondContact N-O 3.18Å; V885-Y894 PolarHBondContact O-N 3.16Å; A887-Y894 HydrophobicContact CB-CD2 4.31Å; A887-Y894 HydrophobicContact CB-CE2 3.85Å; Y892-Y894 VanDerWaalsContact O-CD2 3.24Å; Y892-Y894 WeakPolarHBondContact O-CD2 3.46Å; Y892-Y894 WeakPolarHBondContact O-CE2 3.22Å; Y894-L953 HydrophobicContact CD1-CB 4.29Å; Y894-H954 CarbonylContact C-O 3.1Å; Y894-H954 VanDerWaalsContact CA-O 3.31Å; Y894-H954 WeakPolarHBondContact CA-O 3.26Å
895	V	78.9	Confident	67.2	Low	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.1	169.7	162.2	0	0	0	0	109.5	I876 I882 I884 L897 L953 H954 I956 I1035	I876-V895 HydrophobicContact CD1-CG2 4.19Å; I882-V895 HydrophobicContact CG2-CB 4.42Å; I882-V895 HydrophobicContact CG2-CG1 3.32Å; I882-V895 HydrophobicContact CG2-CG2 4.31Å; I884-V895 HydrophobicContact CG1-CG2 4.15Å; V895-L897 HydrophobicContact CG1-CD2 3.68Å; V895-L897 HydrophobicContact CG1-CG 4.05Å; V895-L953 WeakPolarHBondContact O-CA 3.48Å; V895-H954 PolarHBondContact N-O 2.88Å; V895-H954 PolarHBondContact O-N 3.13Å; V895-H954 VanDerWaalsContact O-N 3.13Å; V895-I956 HydrophobicContact CG2-CB 4.1Å; V895-I956 HydrophobicContact CG2-CD1 3.92Å; V895-I956 HydrophobicContact CG2-CG2 4.21Å; V895-I1035 HydrophobicContact CB-CD1 4.22Å; V895-I1035 HydrophobicContact CG1-CD1 3.96Å; V895-I1035 HydrophobicContact CG2-CD1 3.98Å
896	V	80.7	Confident	67.2	Low	5 Å²	5	60.9 Å²	60.9	3%	0.03	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117	173.7	-172.9	0	0	0	0	109.7	S883 V885 K951 L953	S883-V896 WeakPolarHBondContact O-CG2 3.49Å; S883-V896 PolarHBondContact O-N 2.95Å; V885-V896 HydrophobicContact CB-CG2 4.16Å; V885-V896 HydrophobicContact CG1-CG2 3.61Å; V885-V896 HydrophobicContact CG2-CG2 3.45Å; V885-V896 VanDerWaalsContact CG2-CG2 3.45Å; V896-K951 HydrophobicContact CG1-CB 4.23Å; V896-K951 HydrophobicContact CG1-CD 3.76Å; V896-K951 HydrophobicContact CG1-CG 4.31Å; V896-L953 HydrophobicContact CB-CD2 4.46Å; V896-L953 HydrophobicContact CG2-CD2 3.89Å
897	L	79.5	Confident	67.7	Low	1 Å²	1	60.8 Å²	60.8	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.4	172.7	-52.4	167.6	0	0	0	108.2	V895 F909 K951 L952 H954 L1042 I1044	V895-L897 HydrophobicContact CG1-CD2 3.68Å; V895-L897 HydrophobicContact CG1-CG 4.05Å; L897-F909 HydrophobicContact CB-CE1 4.07Å; L897-F909 HydrophobicContact CB-CE2 4.14Å; L897-F909 HydrophobicContact CB-CZ 3.72Å; L897-F909 HydrophobicContact CD1-CD2 4.1Å; L897-F909 HydrophobicContact CD1-CE2 4.01Å; L897-F909 HydrophobicContact CD1-CZ 4.39Å; L897-K951 CarbonylContact O-C 3.59Å; L897-K951 VanDerWaalsContact O-CA 3.32Å; L897-K951 WeakPolarHBondContact O-CA 3.4Å; L897-L952 HydrophobicContact CB-CB 4.27Å; L897-L952 HydrophobicContact CD1-CD2 4.44Å; L897-L952 PolarHBondContact N-O 2.89Å; L897-L952 PolarHBondContact O-N 2.62Å; L897-H954 HydrophobicContact CD1-CB 4.23Å; L897-L1042 HydrophobicContact CD1-CD2 3.59Å; L897-I1044 HydrophobicContact CD2-CD1 3.71Å
898	N	74.4	Confident	68.5	Low	67 Å²	67	60.8 Å²	60.8	36%	0.358	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	138.5	172.5	-64.5	-47.3	0	0	0	109	Q905 F909	N898-Q905 PolarHBondContact O-NE2 2.88Å; N898-Q905 PolarHBondContact O-OE1 3.11Å; N898-Q905 VanDerWaalsContact O-OE1 3.09Å; N898-F909 WeakPolarHBondContact O-CZ 3.45Å
899	T	68	Low	69.5	Low	52 Å²	52	59.2 Å²	59.2	32%	0.319	32%	0.318	S	S	.	.			trans	-111	8.1	169.3	89.9	0	0	0	0	112.6	F909 N950 L952	T899-F909 HydrophobicContact CG2-CZ 4.44Å; T899-N950 PolarHBondContact N-O 3.29Å; T899-N950 PolarHBondContact OG1-O 2.91Å; T899-N950 VanDerWaalsContact OG1-O 3.09Å; T899-L952 HydrophobicContact CG2-CB 3.74Å; T899-L952 HydrophobicContact CG2-CD2 4.22Å
900	A	56.2	Low	70.5	Confident	43 Å²	43	51 Å²	51	36%	0.355	27%	0.274	S	S	.	.	S	Bend	trans	-77.8	129.5	177.7	0	0	0	0	0	110.8	Q905	A900-Q905 PolarHBondContact O-NE2 2.89Å
901	K	55.3	Low	71	Confident	172 Å²	172	51.4 Å²	51.4	75%	0.748	28%	0.277	S	S	*	.			trans	41.7	79.6	179.1	-69.3	-173.1	177.6	-178.5	0	113.7	S903 A904	K901-S903 PolarHBondContact O-N 2.82Å; K901-A904 HydrophobicContact CB-CB 4.35Å; K901-A904 PolarHBondContact O-N 3.39Å
902	E	56.6	Low	71.6	Confident	65 Å²	65	49.4 Å²	49.4	30%	0.304	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-44.4	-31.7	176	-77.2	-161.7	-179.1	0	0	114.2	A904 R908 K1019	E902-A904 VanDerWaalsContact C-N 3.29Å; E902-A904 PolarHBondContact O-N 3.26Å; E902-R908 VanDerWaalsContact C-NH2 3.28Å; E902-R908 PolarHBondContact O-NE 3.28Å; E902-R908 PolarHBondContact O-NH2 3.12Å; E902-R908 IonicContact OE2-CZ 2.74Å; E902-R908 IonicContact OE2-NH1 3.84Å; E902-R908 PolarHBondContact OE2-NH1 3.01Å; E902-K1019 IonicContact OE1-NZ 3.53Å; E902-K1019 PolarHBondContact OE1-NZ 3.29Å
903	S	52.3	Low	72.3	Confident	99 Å²	99	44.5 Å²	44.5	69%	0.692	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-75.7	0.1	178.8	72.8	0	0	0	0	116.4	K901	K901-S903 PolarHBondContact O-N 2.82Å
904	A	53.9	Low	72.8	Confident	79 Å²	79	43 Å²	43	65%	0.653	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-127.6	9.1	-171.3	0	0	0	0	0	114.2	K901 E902	K901-A904 HydrophobicContact CB-CB 4.35Å; K901-A904 PolarHBondContact O-N 3.39Å; E902-A904 VanDerWaalsContact C-N 3.29Å; E902-A904 PolarHBondContact O-N 3.26Å
905	Q	63.8	Low	73	Confident	20 Å²	20	42.9 Å²	42.9	9%	0.093	24%	0.238	C	C	.	.			trans	-105	134.3	179.8	-54.5	-175.9	8.7	0	0	109.3	N898 A900 I907 Q1047	N898-Q905 PolarHBondContact O-NE2 2.88Å; N898-Q905 PolarHBondContact O-OE1 3.11Å; N898-Q905 VanDerWaalsContact O-OE1 3.09Å; A900-Q905 PolarHBondContact O-NE2 2.89Å; Q905-I907 PolarHBondContact O-N 2.92Å; Q905-I907 VanDerWaalsContact O-N 3.16Å; Q905-Q1047 PolarHBondContact O-OE1 3.4Å; Q905-Q1047 VanDerWaalsContact O-OE1 3.06Å
906	K	77.2	Confident	73.1	Confident	109 Å²	109	47.6 Å²	47.6	47%	0.474	26%	0.259	S	S	.	.	S	Bend	trans	-77.4	6.3	175.5	-50.2	-170.4	173.5	-167.9	0	112.9	E881 K1046 Q1047 E1049	E881-K906 WeakPolarHBondContact OE1-CB 3.5Å; E881-K906 WeakPolarHBondContact OE2-CB 3.47Å; E881-K906 PolarHBondContact OE2-N 3.01Å; K906-K1046 CarbonylContact O-C 3.2Å; K906-K1046 WeakPolarHBondContact O-CA 3.49Å; K906-Q1047 PolarHBondContact O-N 3.33Å; K906-E1049 IonicContact NZ-OE1 2.74Å; K906-E1049 PolarHBondContact NZ-OE1 3.11Å
907	I	83.4	Confident	73.3	Confident	11 Å²	11	47.9 Å²	47.9	6%	0.056	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.1	175.7	65.2	175.3	0	0	0	110.7	W879 I882 Q905 I1044 F1045	W879-I907 HydrophobicContact CE3-CG2 3.93Å; W879-I907 HydrophobicContact CZ3-CG2 3.74Å; I882-I907 HydrophobicContact CD1-CD1 4.12Å; I882-I907 HydrophobicContact CG1-CD1 3.81Å; Q905-I907 PolarHBondContact O-N 2.92Å; Q905-I907 VanDerWaalsContact O-N 3.16Å; I907-I1044 HydrophobicContact CB-CG2 3.94Å; I907-I1044 HydrophobicContact CD1-CG2 4.44Å; I907-I1044 HydrophobicContact CG2-CG2 4.46Å; I907-F1045 CarbonylContact C-O 3.57Å; I907-F1045 VanDerWaalsContact CA-O 3.3Å; I907-F1045 WeakPolarHBondContact CA-O 3.14Å
908	R	84.8	Confident	73.6	Confident	12 Å²	12	47.8 Å²	47.8	5%	0.045	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.4	172.5	-73.5	-63.3	-163.3	120.8	3.5	110.3	E902 D1020 I1023 L1025 I1044 F1045	E902-R908 VanDerWaalsContact C-NH2 3.28Å; E902-R908 PolarHBondContact O-NE 3.28Å; E902-R908 PolarHBondContact O-NH2 3.12Å; E902-R908 IonicContact OE2-CZ 2.74Å; E902-R908 IonicContact OE2-NH1 3.84Å; E902-R908 PolarHBondContact OE2-NH1 3.01Å; R908-D1020 IonicContact CZ-OD2 2.65Å; R908-D1020 IonicContact NH1-OD2 2.79Å; R908-D1020 PolarHBondContact NH1-OD2 3.23Å; R908-D1020 IonicContact NH2-OD2 3.56Å; R908-D1020 PolarHBondContact NH2-OD2 3.17Å; R908-I1023 HydrophobicContact CG-CD1 4.33Å; R908-L1025 HydrophobicContact CB-CD2 3.86Å; R908-L1025 HydrophobicContact CG-CD2 3.94Å; R908-I1044 WeakPolarHBondContact O-CA 3.41Å; R908-F1045 PolarHBondContact N-O 2.65Å; R908-F1045 PolarHBondContact O-N 3.46Å
909	F	85.9	Confident	74	Confident	15 Å²	15	46.1 Å²	46.1	7%	0.066	25%	0.252	C	S	.	.			trans	-154.4	152.7	-174.6	57.7	-89.4	0	0	0	110.2	L897 N898 T899 L952 L1042 I1044	L897-F909 HydrophobicContact CB-CE1 4.07Å; L897-F909 HydrophobicContact CB-CE2 4.14Å; L897-F909 HydrophobicContact CB-CZ 3.72Å; L897-F909 HydrophobicContact CD1-CD2 4.1Å; L897-F909 HydrophobicContact CD1-CE2 4.01Å; L897-F909 HydrophobicContact CD1-CZ 4.39Å; N898-F909 WeakPolarHBondContact O-CZ 3.45Å; T899-F909 HydrophobicContact CG2-CZ 4.44Å; F909-L952 HydrophobicContact CE2-CD2 4.04Å; F909-L1042 HydrophobicContact CB-CD1 4.3Å; F909-I1044 HydrophobicContact CB-CG1 4.06Å; F909-I1044 HydrophobicContact CB-CG2 4.42Å
910	P	83.8	Confident	74.8	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.013	25%	0.248	C	C	.	.			trans	-69.4	141	177.6	30.5	-34.7	0	0	0	110.6	K912 L917 E1015 L1042 T1043	P910-K912 VanDerWaalsContact C-N 3.33Å; P910-L917 HydrophobicContact CB-CD1 4.08Å; P910-L917 HydrophobicContact CG-CD1 4.48Å; P910-E1015 HydrophobicContact CB-CB 4.29Å; P910-E1015 WeakPolarHBondContact CB-OE2 3.37Å; P910-L1042 HydrophobicContact CG-CD1 3.96Å; P910-T1043 WeakPolarHBondContact CD-O 3.42Å
911	T	76.8	Confident	76.2	Confident	63 Å²	63	44.7 Å²	44.7	39%	0.387	23%	0.234	S	C	.	.	S	Bend	trans	-90.6	-1.1	176.4	53.3	0	0	0	0	112.9	E1015 K1019	T911-E1015 VanDerWaalsContact N-CD 3.3Å; T911-E1015 PolarHBondContact N-OE1 2.93Å; T911-E1015 PolarHBondContact N-OE2 2.8Å; T911-E1015 VanDerWaalsContact N-OE2 3.09Å; T911-E1015 PolarHBondContact OG1-OE1 3.24Å; T911-K1019 VanDerWaalsContact CG2-NZ 3.27Å; T911-K1019 PolarHBondContact OG1-NZ 2.93Å; T911-K1019 VanDerWaalsContact OG1-NZ 3.15Å
912	K	77.8	Confident	77.6	Confident	66 Å²	66	37 Å²	37	29%	0.287	20%	0.201	S	C	.	.	S	Bend	trans	-113.5	152.1	175.2	-56.1	165.4	-171.7	172	0	109.9	P910 K916 L917 N920 E1015	P910-K912 VanDerWaalsContact C-N 3.33Å; K912-K916 HydrophobicContact CB-CB 4.19Å; K912-K916 HydrophobicContact CB-CD 4.25Å; K912-K916 HydrophobicContact CB-CG 4.22Å; K912-K916 HydrophobicContact CD-CG 4.42Å; K912-K916 HydrophobicContact CG-CD 4.15Å; K912-K916 HydrophobicContact CG-CG 4.36Å; K912-L917 HydrophobicContact CB-CD2 4.04Å; K912-L917 HydrophobicContact CB-CG 4.09Å; K912-L917 HydrophobicContact CD-CD2 3.98Å; K912-N920 PolarHBondContact NZ-ND2 3.38Å; K912-E1015 VanDerWaalsContact CB-OE2 3.24Å; K912-E1015 WeakPolarHBondContact CB-OE2 3.37Å; K912-E1015 HydrophobicContact CD-CG 4.29Å; K912-E1015 WeakPolarHBondContact CD-OE2 3.46Å; K912-E1015 VanDerWaalsContact CG-OE2 3.24Å; K912-E1015 WeakPolarHBondContact CG-OE2 3.44Å; K912-E1015 PolarHBondContact N-OE2 3.1Å
913	T	79.5	Confident	78.8	Confident	7 Å²	7	37.9 Å²	37.9	4%	0.043	21%	0.208	C	C	.	.			trans	-69.8	158.3	169.5	65.8	0	0	0	0	110.7	R847 T857 F858 D915 K916 L917	R847-T913 PolarHBondContact NH2-OG1 3.07Å; T857-T913 HydrophobicContact CG2-CG2 3.96Å; T857-T913 WeakPolarHBondContact OG1-CG2 3.39Å; F858-T913 HydrophobicContact CD2-CG2 4.16Å; F858-T913 HydrophobicContact CE2-CG2 3.89Å; T913-D915 VanDerWaalsContact C-N 3.26Å; T913-D915 PolarHBondContact O-N 2.81Å; T913-K916 CarbonylContact O-C 3.59Å; T913-K916 WeakPolarHBondContact O-CA 3.34Å; T913-K916 PolarHBondContact O-N 3.4Å; T913-K916 PolarHBondContact OG1-N 2.92Å; T913-L917 PolarHBondContact O-N 3.39Å
914	I	83.2	Confident	80	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-52.8	-44.3	175.4	-168.6	-177	0	0	0	112.4	K916 L917 L918 N1008 L1011 N1040 W1121	I914-K916 VanDerWaalsContact C-N 3.26Å; I914-K916 PolarHBondContact O-N 3.18Å; I914-L917 WeakPolarHBondContact O-CB 3.45Å; I914-L917 PolarHBondContact O-N 3.38Å; I914-L917 VanDerWaalsContact O-N 3.12Å; I914-L918 WeakPolarHBondContact O-CB 3.42Å; I914-L918 PolarHBondContact O-N 3.34Å; I914-N1008 VanDerWaalsContact CB-OD1 3.32Å; I914-N1008 WeakPolarHBondContact CB-OD1 3.42Å; I914-N1008 HydrophobicContact CD1-CB 3.6Å; I914-N1008 VanDerWaalsContact CD1-OD1 3.25Å; I914-N1008 WeakPolarHBondContact CD1-OD1 3.22Å; I914-N1008 HydrophobicContact CG1-CB 4.36Å; I914-N1008 WeakPolarHBondContact CG1-OD1 3.21Å; I914-L1011 HydrophobicContact CG1-CD1 4.49Å; I914-N1040 PolarHBondContact N-OD1 2.93Å; I914-N1040 VanDerWaalsContact N-OD1 3.15Å; I914-W1121 HydrophobicContact CD1-CE3 3.51Å; I914-W1121 HydrophobicContact CD1-CH2 4.45Å; I914-W1121 HydrophobicContact CD1-CZ3 3.38Å; I914-W1121 HydrophobicContact CG2-CB 3.96Å; I914-W1121 HydrophobicContact CG2-CD2 4.26Å; I914-W1121 HydrophobicContact CG2-CE3 3.87Å; I914-W1121 HydrophobicContact CG2-CG 4.34Å
915	D	80.2	Confident	80.9	Confident	11 Å²	11	37.4 Å²	37.4	6%	0.059	18%	0.184	C	C	.	.	H	α-helix	trans	-52.8	-41.5	174.4	163.2	94.8	0	0	0	112.8	R847 T913 T919 M1124 R1128	R847-D915 IonicContact CZ-OD2 3.63Å; R847-D915 IonicContact NH1-OD2 2.93Å; R847-D915 PolarHBondContact NH1-OD2 2.69Å; R847-D915 IonicContact NH2-OD2 3.59Å; T913-D915 VanDerWaalsContact C-N 3.26Å; T913-D915 PolarHBondContact O-N 2.81Å; D915-T919 PolarHBondContact O-N 3.24Å; D915-T919 PolarHBondContact O-OG1 3.28Å; D915-M1124 HydrophobicContact CB-CE 4.38Å; D915-R1128 PolarHBondContact O-NH2 3.02Å; D915-R1128 IonicContact OD1-CZ 3.73Å; D915-R1128 IonicContact OD1-NE 3.42Å; D915-R1128 PolarHBondContact OD1-NE 2.99Å; D915-R1128 IonicContact OD1-NH2 2.81Å; D915-R1128 PolarHBondContact OD1-NH2 2.66Å; D915-R1128 IonicContact OD2-NH2 2.78Å; D915-R1128 PolarHBondContact OD2-NH2 3.39Å
916	K	80.8	Confident	80.7	Confident	99 Å²	99	39.9 Å²	39.9	43%	0.43	20%	0.201	S	C	.	.	H	α-helix	trans	-81	-31.1	-180	-176.3	173.8	-178.9	-178.7	0	111.6	K912 T913 I914 T919 N920	K912-K916 HydrophobicContact CB-CB 4.19Å; K912-K916 HydrophobicContact CB-CD 4.25Å; K912-K916 HydrophobicContact CB-CG 4.22Å; K912-K916 HydrophobicContact CD-CG 4.42Å; K912-K916 HydrophobicContact CG-CD 4.15Å; K912-K916 HydrophobicContact CG-CG 4.36Å; T913-K916 CarbonylContact O-C 3.59Å; T913-K916 WeakPolarHBondContact O-CA 3.34Å; T913-K916 PolarHBondContact O-N 3.4Å; T913-K916 PolarHBondContact OG1-N 2.92Å; I914-K916 VanDerWaalsContact C-N 3.26Å; I914-K916 PolarHBondContact O-N 3.18Å; K916-T919 PolarHBondContact O-N 3.14Å; K916-N920 PolarHBondContact O-N 3.15Å; K916-N920 VanDerWaalsContact O-N 3.16Å; K916-N920 PolarHBondContact O-ND2 3.05Å; K916-N920 PolarHBondContact O-OD1 2.85Å
917	L	85.5	Confident	79.4	Confident	10 Å²	10	38.1 Å²	38.1	5%	0.052	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-54.4	170	-69.3	171.7	0	0	0	110.5	P910 K912 T913 I914 T919 N920 W921 L1011 E1015	P910-L917 HydrophobicContact CB-CD1 4.08Å; P910-L917 HydrophobicContact CG-CD1 4.48Å; K912-L917 HydrophobicContact CB-CD2 4.04Å; K912-L917 HydrophobicContact CB-CG 4.09Å; K912-L917 HydrophobicContact CD-CD2 3.98Å; T913-L917 PolarHBondContact O-N 3.39Å; I914-L917 WeakPolarHBondContact O-CB 3.45Å; I914-L917 PolarHBondContact O-N 3.38Å; I914-L917 VanDerWaalsContact O-N 3.12Å; L917-T919 VanDerWaalsContact C-N 3.27Å; L917-T919 PolarHBondContact O-N 3.02Å; L917-N920 PolarHBondContact O-N 3.5Å; L917-N920 VanDerWaalsContact O-N 3.12Å; L917-W921 PolarHBondContact O-N 2.95Å; L917-L1011 HydrophobicContact CB-CB 4.08Å; L917-L1011 HydrophobicContact CB-CD1 4.34Å; L917-L1011 HydrophobicContact CD1-CB 4.17Å; L917-E1015 HydrophobicContact CD2-CB 3.67Å; L917-E1015 HydrophobicContact CD2-CG 3.96Å; L917-E1015 WeakPolarHBondContact CD2-OE2 3.31Å
918	L	86.4	Confident	77.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-36.3	177.3	-177.2	59.4	0	0	0	112	I914 W921 L922 L1007 L1011 L1092 C1125 R1128 I1129	I914-L918 WeakPolarHBondContact O-CB 3.42Å; I914-L918 PolarHBondContact O-N 3.34Å; L918-W921 PolarHBondContact O-N 3.17Å; L918-L922 HydrophobicContact CD1-CD1 3.86Å; L918-L922 HydrophobicContact CD1-CD2 4.41Å; L918-L922 HydrophobicContact CD1-CG 3.96Å; L918-L922 HydrophobicContact CG-CD1 3.95Å; L918-L922 HydrophobicContact CG-CG 4.43Å; L918-L922 VanDerWaalsContact O-CG 3.28Å; L918-L922 WeakPolarHBondContact O-CG 3.44Å; L918-L922 PolarHBondContact O-N 2.88Å; L918-L922 VanDerWaalsContact O-N 3.08Å; L918-L1007 HydrophobicContact CD1-CD2 4.5Å; L918-L1011 HydrophobicContact CB-CD1 4.09Å; L918-L1011 HydrophobicContact CD1-CD1 4.36Å; L918-L1092 HydrophobicContact CD1-CD2 3.97Å; L918-C1125 HydrophobicContact CD2-CB 4.18Å; L918-R1128 HydrophobicContact CD2-CB 4.15Å; L918-I1129 HydrophobicContact CD1-CD1 4.24Å; L918-I1129 HydrophobicContact CD1-CG1 4.46Å; L918-I1129 HydrophobicContact CD2-CD1 4.05Å; L918-I1129 HydrophobicContact CD2-CG1 4.28Å
919	T	82.6	Confident	75	Confident	32 Å²	32	53 Å²	53	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-57.4	-58	171	-46.9	0	0	0	0	111.1	D915 K916 L917 W921 L922 D923 R1128	D915-T919 PolarHBondContact O-N 3.24Å; D915-T919 PolarHBondContact O-OG1 3.28Å; K916-T919 PolarHBondContact O-N 3.14Å; L917-T919 VanDerWaalsContact C-N 3.27Å; L917-T919 PolarHBondContact O-N 3.02Å; T919-W921 PolarHBondContact O-N 3.46Å; T919-L922 PolarHBondContact O-N 3.08Å; T919-D923 WeakPolarHBondContact CG2-OD2 3.34Å; T919-D923 WeakPolarHBondContact O-CB 3.42Å; T919-D923 PolarHBondContact O-N 3.1Å; T919-R1128 PolarHBondContact OG1-NH1 3.33Å; T919-R1128 PolarHBondContact OG1-NH2 3.47Å
920	N	83.8	Confident	72.4	Confident	44 Å²	44	55 Å²	55	24%	0.235	29%	0.289	C	S	.	.	H	α-helix	trans	-63.9	-30.2	-176.2	-28.1	-69.8	0	0	0	111.8	K912 K916 L917 N924	K912-N920 PolarHBondContact NZ-ND2 3.38Å; K916-N920 PolarHBondContact O-N 3.15Å; K916-N920 VanDerWaalsContact O-N 3.16Å; K916-N920 PolarHBondContact O-ND2 3.05Å; K916-N920 PolarHBondContact O-OD1 2.85Å; L917-N920 PolarHBondContact O-N 3.5Å; L917-N920 VanDerWaalsContact O-N 3.12Å; N920-N924 WeakPolarHBondContact O-CB 3.24Å; N920-N924 PolarHBondContact O-N 3.11Å; N920-N924 PolarHBondContact O-ND2 3.4Å; N920-N924 VanDerWaalsContact O-ND2 3.13Å
921	W	86.5	Confident	69.9	Low	20 Å²	20	57.4 Å²	57.4	8%	0.076	31%	0.306	C	S	.	.	H	α-helix	trans	-63.5	-55.6	176.1	-165.6	-92.4	0	0	0	111	L917 L918 T919 D923 N924 Q925 L1011 N1085 I1088 N1089	L917-W921 PolarHBondContact O-N 2.95Å; L918-W921 PolarHBondContact O-N 3.17Å; T919-W921 PolarHBondContact O-N 3.46Å; W921-D923 VanDerWaalsContact C-N 3.33Å; W921-D923 PolarHBondContact O-N 2.77Å; W921-N924 WeakPolarHBondContact O-CB 3.32Å; W921-N924 PolarHBondContact O-N 2.79Å; W921-N924 VanDerWaalsContact O-N 3.14Å; W921-Q925 WeakPolarHBondContact O-CG 3.35Å; W921-Q925 PolarHBondContact O-N 2.74Å; W921-L1011 HydrophobicContact CB-CD2 3.95Å; W921-L1011 HydrophobicContact CD2-CD2 4.07Å; W921-L1011 HydrophobicContact CE3-CD2 4.04Å; W921-L1011 HydrophobicContact CG-CD2 4.03Å; W921-N1085 HydrophobicContact CH2-CB 4.32Å; W921-N1085 WeakPolarHBondContact CH2-OD1 3.39Å; W921-N1085 HydrophobicContact CZ2-CB 4.38Å; W921-I1088 HydrophobicContact CD2-CD1 4.48Å; W921-I1088 HydrophobicContact CD2-CG2 3.96Å; W921-I1088 VanDerWaalsContact CE2-CG2 3.43Å; W921-I1088 HydrophobicContact CE3-CD1 4.15Å; W921-I1088 HydrophobicContact CG-CG2 4.3Å; W921-I1088 HydrophobicContact CH2-CB 4.27Å; W921-I1088 HydrophobicContact CH2-CD1 3.46Å; W921-I1088 VanDerWaalsContact CH2-CD1 3.46Å; W921-I1088 HydrophobicContact CH2-CG1 4.43Å; W921-I1088 HydrophobicContact CH2-CG2 4.47Å; W921-I1088 HydrophobicContact CZ2-CB 3.73Å; W921-I1088 HydrophobicContact CZ2-CD1 3.82Å; W921-I1088 HydrophobicContact CZ2-CG1 4.37Å; W921-I1088 HydrophobicContact CZ2-CG2 3.73Å; W921-I1088 HydrophobicContact CZ3-CD1 3.63Å; W921-N1089 PolarHBondContact NE1-OD1 3.41Å; W921-N1089 VanDerWaalsContact NE1-OD1 3.17Å
922	L	85.1	Confident	68.3	Low	11 Å²	11	59.1 Å²	59.1	6%	0.058	32%	0.318	C	S	.	.	H	α-helix	trans	-64.5	-35.9	-178.7	-62.8	175.9	0	0	0	112.3	L918 T919 Q925 T926 L1092 Y1132	L918-L922 HydrophobicContact CD1-CD1 3.86Å; L918-L922 HydrophobicContact CD1-CD2 4.41Å; L918-L922 HydrophobicContact CD1-CG 3.96Å; L918-L922 HydrophobicContact CG-CD1 3.95Å; L918-L922 HydrophobicContact CG-CG 4.43Å; L918-L922 VanDerWaalsContact O-CG 3.28Å; L918-L922 WeakPolarHBondContact O-CG 3.44Å; L918-L922 PolarHBondContact O-N 2.88Å; L918-L922 VanDerWaalsContact O-N 3.08Å; T919-L922 PolarHBondContact O-N 3.08Å; L922-Q925 PolarHBondContact O-N 2.74Å; L922-T926 PolarHBondContact O-N 3.03Å; L922-T926 VanDerWaalsContact O-N 3.16Å; L922-T926 PolarHBondContact O-OG1 2.94Å; L922-L1092 HydrophobicContact CD2-CD1 4.36Å; L922-Y1132 HydrophobicContact CB-CD2 3.75Å; L922-Y1132 HydrophobicContact CB-CE2 3.65Å; L922-Y1132 HydrophobicContact CD1-CD2 4.08Å; L922-Y1132 HydrophobicContact CD1-CG 4.13Å; L922-Y1132 HydrophobicContact CD2-CD1 3.86Å; L922-Y1132 HydrophobicContact CD2-CD2 3.89Å; L922-Y1132 HydrophobicContact CD2-CE1 3.83Å; L922-Y1132 HydrophobicContact CD2-CE2 3.82Å; L922-Y1132 HydrophobicContact CD2-CG 3.9Å; L922-Y1132 HydrophobicContact CG-CD2 4.1Å; L922-Y1132 HydrophobicContact CG-CE2 4.21Å; L922-Y1132 HydrophobicContact CG-CG 4.4Å
923	D	80.4	Confident	66.4	Low	84 Å²	84	63.8 Å²	63.8	45%	0.449	34%	0.341	S	S	.	.	H	α-helix	trans	-65.3	-40	173.2	-66.3	-5.5	0	0	0	111.8	T919 W921 Q925 T926 T927	T919-D923 WeakPolarHBondContact CG2-OD2 3.34Å; T919-D923 WeakPolarHBondContact O-CB 3.42Å; T919-D923 PolarHBondContact O-N 3.1Å; W921-D923 VanDerWaalsContact C-N 3.33Å; W921-D923 PolarHBondContact O-N 2.77Å; D923-Q925 VanDerWaalsContact C-N 3.35Å; D923-T926 PolarHBondContact O-N 3.48Å; D923-T926 PolarHBondContact O-OG1 2.67Å; D923-T927 WeakPolarHBondContact O-CB 3.41Å; D923-T927 PolarHBondContact O-N 3.33Å; D923-T927 PolarHBondContact O-OG1 3.02Å
924	N	78.9	Confident	64.2	Low	77 Å²	77	69.9 Å²	69.9	41%	0.412	37%	0.373	S	S	.	.	H	α-helix	trans	-68.4	-30.4	176.7	-78.2	-25.1	0	0	0	112.6	N920 W921	N920-N924 WeakPolarHBondContact O-CB 3.24Å; N920-N924 PolarHBondContact O-N 3.11Å; N920-N924 PolarHBondContact O-ND2 3.4Å; N920-N924 VanDerWaalsContact O-ND2 3.13Å; W921-N924 WeakPolarHBondContact O-CB 3.32Å; W921-N924 PolarHBondContact O-N 2.79Å; W921-N924 VanDerWaalsContact O-N 3.14Å
925	Q	71.5	Confident	61.9	Low	90 Å²	90	77.3 Å²	77.3	42%	0.421	40%	0.401	S	S	.	.	H	α-helix	trans	-77.5	-31.6	176.9	-61.8	-59.5	-14.7	0	0	112.6	W921 L922 D923 Y1132	W921-Q925 WeakPolarHBondContact O-CG 3.35Å; W921-Q925 PolarHBondContact O-N 2.74Å; L922-Q925 PolarHBondContact O-N 2.74Å; D923-Q925 VanDerWaalsContact C-N 3.35Å; Q925-Y1132 WeakPolarHBondContact CB-OH 3.41Å
926	T	61.4	Low	59.6	Low	72 Å²	72	84.8 Å²	84.8	44%	0.442	44%	0.435	S	S	.	.	H	α-helix	trans	-87.6	-29.6	-178.6	44	0	0	0	0	113.9	L922 D923 K928 Y1132	L922-T926 PolarHBondContact O-N 3.03Å; L922-T926 VanDerWaalsContact O-N 3.16Å; L922-T926 PolarHBondContact O-OG1 2.94Å; D923-T926 PolarHBondContact O-N 3.48Å; D923-T926 PolarHBondContact O-OG1 2.67Å; T926-K928 PolarHBondContact O-N 3.21Å; T926-Y1132 HydrophobicContact CG2-CD2 4.49Å; T926-Y1132 HydrophobicContact CG2-CE2 3.49Å; T926-Y1132 VanDerWaalsContact CG2-CE2 3.49Å
927	T	48.7	Very low	57.1	Low	72 Å²	72	84.4 Å²	84.4	44%	0.442	45%	0.445	S	S	.	.	S	Bend	trans	-83.4	112	174.7	54.1	0	0	0	0	110.9	D923 T929	D923-T927 WeakPolarHBondContact O-CB 3.41Å; D923-T927 PolarHBondContact O-N 3.33Å; D923-T927 PolarHBondContact O-OG1 3.02Å; T927-T929 PolarHBondContact O-N 2.63Å
928	K	39.8	Very low	54.5	Low	206 Å²	206	93 Å²	93	90%	0.896	49%	0.488	S	S	*	.	S	Bend	trans	-53.9	106.4	168.8	-75.6	-172	176.8	-176.2	0	109.3	T926	T926-K928 PolarHBondContact O-N 3.21Å
929	T	36.4	Very low	51.9	Low	130 Å²	130	99.4 Å²	99.4	80%	0.798	52%	0.518	S	S	*	.			trans	32.7	89.8	174.3	37.7	0	0	0	0	114.8	T927 S931	T927-T929 PolarHBondContact O-N 2.63Å; T929-S931 PolarHBondContact O-N 2.83Å
930	P	30.3	Very low	49.4	Very low	57 Å²	57	107.2 Å²	107.2	37%	0.37	55%	0.549	S	S	.	.			trans	-58.3	108	168.3	24.9	-33.8	0	0	0	109.3
931	S	32	Very low	47	Very low	53 Å²	53	111.4 Å²	111.4	37%	0.371	57%	0.565	S	S	.	*			trans	-46.1	132	-174.2	172.3	0	0	0	0	110.7	T929 E933 N934	T929-S931 PolarHBondContact O-N 2.83Å; S931-E933 PolarHBondContact O-N 3.3Å; S931-N934 PolarHBondContact O-N 3.23Å
932	P	42.9	Very low	44.4	Very low	98 Å²	98	117.3 Å²	117.3	64%	0.636	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-55.9	-29.4	-174.8	21.4	-33	0	0	0	112.7	N934 R935	P932-N934 PolarHBondContact O-N 2.9Å; P932-R935 PolarHBondContact O-N 3.23Å; P932-R935 VanDerWaalsContact O-N 3.13Å
933	E	39.1	Very low	41.8	Very low	164 Å²	164	122.5 Å²	122.5	77%	0.766	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-60.5	-30	177.9	-58.9	-179.5	127.4	0	0	113.3	S931 R935	S931-E933 PolarHBondContact O-N 3.3Å; E933-R935 VanDerWaalsContact C-N 3.32Å; E933-R935 PolarHBondContact O-N 2.84Å
934	N	32.4	Very low	39.5	Very low	135 Å²	135	125.1 Å²	125.1	72%	0.722	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-83.2	-2.7	179.7	-109.3	-25	0	0	0	113.9	S931 P932 H936	S931-N934 PolarHBondContact O-N 3.23Å; P932-N934 PolarHBondContact O-N 2.9Å; N934-H936 VanDerWaalsContact C-N 3.27Å; N934-H936 PolarHBondContact O-N 3.12Å
935	R	36.3	Very low	37.4	Very low	159 Å²	159	128.2 Å²	128.2	60%	0.6	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-85	7.1	174.8	-67	-174.7	171.7	-167.4	-4.3	113.4	P932 E933	P932-R935 PolarHBondContact O-N 3.23Å; P932-R935 VanDerWaalsContact O-N 3.13Å; E933-R935 VanDerWaalsContact C-N 3.32Å; E933-R935 PolarHBondContact O-N 2.84Å
936	H	30.8	Very low	35.6	Very low	167 Å²	167	133.5 Å²	133.5	77%	0.773	68%	0.678	S	S	*	*	S	Bend	trans	-130.5	38.4	-167.6	-68.7	-30	0	0	0	116.7	N934	N934-H936 VanDerWaalsContact C-N 3.27Å; N934-H936 PolarHBondContact O-N 3.12Å
937	S	29.4	Very low	34.4	Very low	91 Å²	91	136.4 Å²	136.4	64%	0.636	70%	0.697	S	S	*	*			trans	-141.5	3.4	176.7	65	0	0	0	0	118.4	E939	S937-E939 PolarHBondContact O-N 3.05Å
938	M	30.3	Very low	34.1	Very low	191 Å²	191	136.9 Å²	136.9	94%	0.941	70%	0.703	S	S	*	*	S	Bend	trans	-70.6	101.2	163.3	-93.8	-70.5	-174.2	0	0	109.2	K940	M938-K940 PolarHBondContact O-N 2.69Å
939	E	31.2	Very low	34.6	Very low	135 Å²	135	132.9 Å²	132.9	63%	0.631	69%	0.691	S	S	*	*			trans	-38.5	117.7	-163.3	-61.2	173.2	110.3	0	0	115.7	S937 K941	S937-E939 PolarHBondContact O-N 3.05Å; E939-K941 HydrophobicContact CB-CB 4.45Å; E939-K941 HydrophobicContact CB-CG 4.15Å; E939-K941 PolarHBondContact O-N 3.01Å; E939-K941 WeakPolarHBondContact OE1-CE 3.2Å; E939-K941 IonicContact OE1-NZ 3.71Å; E939-K941 PolarHBondContact OE1-NZ 3.16Å; E939-K941 WeakPolarHBondContact OE2-CE 3.44Å; E939-K941 IonicContact OE2-NZ 3.69Å; E939-K941 PolarHBondContact OE2-NZ 3.17Å
940	K	30.9	Very low	35.8	Very low	196 Å²	196	131.2 Å²	131.2	85%	0.852	68%	0.677	S	S	*	*			trans	-66.6	69.5	148.1	-75.9	-176.1	178.1	175.2	0	109.2	M938 N942	M938-K940 PolarHBondContact O-N 2.69Å; K940-N942 PolarHBondContact O-N 3.21Å
941	K	33.4	Very low	37.6	Very low	131 Å²	131	130.7 Å²	130.7	57%	0.57	67%	0.669	S	S	*	*			trans	-65.9	101.3	164.5	-100.9	171.5	177.8	139.1	0	106.8	E939 N943	E939-K941 HydrophobicContact CB-CB 4.45Å; E939-K941 HydrophobicContact CB-CG 4.15Å; E939-K941 PolarHBondContact O-N 3.01Å; E939-K941 WeakPolarHBondContact OE1-CE 3.2Å; E939-K941 IonicContact OE1-NZ 3.71Å; E939-K941 PolarHBondContact OE1-NZ 3.16Å; E939-K941 WeakPolarHBondContact OE2-CE 3.44Å; E939-K941 IonicContact OE2-NZ 3.69Å; E939-K941 PolarHBondContact OE2-NZ 3.17Å; K941-N943 PolarHBondContact O-N 3.46Å
942	N	30.7	Very low	39.7	Very low	144 Å²	144	128.6 Å²	128.6	77%	0.77	65%	0.654	S	S	*	*			trans	-68.6	58.7	178.2	-69.3	-24.3	0	0	0	111.5	K940 T944	K940-N942 PolarHBondContact O-N 3.21Å; N942-T944 PolarHBondContact O-N 2.81Å
943	N	31.8	Very low	41.2	Very low	121 Å²	121	124 Å²	124	65%	0.647	62%	0.624	S	S	*	*			trans	-76	99.3	164.1	-76.4	-3.4	0	0	0	107.1	K941 E945	K941-N943 PolarHBondContact O-N 3.46Å; N943-E945 PolarHBondContact O-N 3.15Å
944	T	31.7	Very low	42.9	Very low	139 Å²	139	116.2 Å²	116.2	85%	0.853	59%	0.587	S	S	*	*			trans	-72	52.2	168	-35.4	0	0	0	0	110.6	N942 K946	N942-T944 PolarHBondContact O-N 2.81Å; T944-K946 PolarHBondContact O-N 3Å
945	E	34.3	Very low	44.9	Very low	142 Å²	142	110.7 Å²	110.7	66%	0.664	56%	0.56	S	S	*	*			trans	-62.8	128.1	163.3	-75.6	-162.8	120.5	0	0	107.3	N943 T947	N943-E945 PolarHBondContact O-N 3.15Å; E945-T947 PolarHBondContact O-N 3.34Å
946	K	34.9	Very low	46.7	Very low	200 Å²	200	104.4 Å²	104.4	87%	0.87	54%	0.537	S	S	*	.			trans	-58.3	129.9	-179.7	-65.1	-178.9	176.3	-173.8	0	108.9	T944 S948	T944-K946 PolarHBondContact O-N 3Å; K946-S948 PolarHBondContact O-N 2.96Å
947	T	34.9	Very low	48.9	Very low	134 Å²	134	99.8 Å²	99.8	82%	0.822	52%	0.524	S	S	*	.			trans	-62.4	97.5	178.3	49.3	0	0	0	0	110.2	E945	E945-T947 PolarHBondContact O-N 3.34Å
948	S	42.4	Very low	51.2	Low	81 Å²	81	95.8 Å²	95.8	57%	0.566	50%	0.495	S	S	*	.			trans	-65.3	140.3	152	51	0	0	0	0	108.1	K946 N950	K946-S948 PolarHBondContact O-N 2.96Å; S948-N950 PolarHBondContact O-N 2.94Å; S948-N950 PolarHBondContact O-OD1 3.46Å
949	D	51.3	Low	53.8	Low	122 Å²	122	87 Å²	87	65%	0.652	45%	0.454	S	S	*	.			trans	-66.4	96.2	-179.6	-61.7	-65.3	0	0	0	110.8	K951	D949-K951 VanDerWaalsContact C-N 3.28Å; D949-K951 PolarHBondContact O-N 3.05Å
950	N	61.6	Low	56.3	Low	96 Å²	96	80.7 Å²	80.7	51%	0.513	42%	0.424	S	S	.	.			trans	-68.8	92.5	172.1	-72.7	-5.9	0	0	0	108.1	T899 S948	T899-N950 PolarHBondContact N-O 3.29Å; T899-N950 PolarHBondContact OG1-O 2.91Å; T899-N950 VanDerWaalsContact OG1-O 3.09Å; S948-N950 PolarHBondContact O-N 2.94Å; S948-N950 PolarHBondContact O-OD1 3.46Å
951	K	68.4	Low	59	Low	45 Å²	45	72.9 Å²	72.9	20%	0.196	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	170.3	157.4	-60.1	-173.2	172.2	-163.1	0	108.6	P861 F865 E867 V896 L897 D949	P861-K951 WeakPolarHBondContact CD-O 3.45Å; P861-K951 WeakPolarHBondContact CG-O 3.45Å; F865-K951 HydrophobicContact CD1-CD 4.31Å; F865-K951 HydrophobicContact CE1-CD 3.94Å; E867-K951 IonicContact OE2-NZ 3.4Å; E867-K951 PolarHBondContact OE2-NZ 3.08Å; V896-K951 HydrophobicContact CG1-CB 4.23Å; V896-K951 HydrophobicContact CG1-CD 3.76Å; V896-K951 HydrophobicContact CG1-CG 4.31Å; L897-K951 CarbonylContact O-C 3.59Å; L897-K951 VanDerWaalsContact O-CA 3.32Å; L897-K951 WeakPolarHBondContact O-CA 3.4Å; D949-K951 VanDerWaalsContact C-N 3.28Å; D949-K951 PolarHBondContact O-N 3.05Å
952	L	74.6	Confident	61.7	Low	10 Å²	10	66.6 Å²	66.6	5%	0.052	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	130.6	177.8	-175.2	70.2	0	0	0	106.6	F858 F860 L897 T899 F909	F858-L952 HydrophobicContact CB-CD1 3.96Å; F858-L952 HydrophobicContact CB-CG 4.49Å; F858-L952 HydrophobicContact CD1-CD1 4.09Å; F858-L952 HydrophobicContact CD1-CD2 3.55Å; F858-L952 HydrophobicContact CD1-CG 3.75Å; F858-L952 HydrophobicContact CE1-CD2 3.73Å; F858-L952 HydrophobicContact CE1-CG 4.4Å; F858-L952 HydrophobicContact CG-CD1 4.29Å; F858-L952 HydrophobicContact CG-CD2 4.37Å; F858-L952 HydrophobicContact CG-CG 4.45Å; F860-L952 HydrophobicContact CD1-CD1 3.79Å; F860-L952 HydrophobicContact CE1-CD1 3.87Å; F860-L952 HydrophobicContact CG-CD1 4.49Å; L897-L952 HydrophobicContact CB-CB 4.27Å; L897-L952 HydrophobicContact CD1-CD2 4.44Å; L897-L952 PolarHBondContact N-O 2.89Å; L897-L952 PolarHBondContact O-N 2.62Å; T899-L952 HydrophobicContact CG2-CB 3.74Å; T899-L952 HydrophobicContact CG2-CD2 4.22Å; F909-L952 HydrophobicContact CE2-CD2 4.04Å
953	L	74.2	Confident	64.4	Low	1 Å²	1	63.2 Å²	63.2	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	116.5	-177.1	-60.1	166.6	0	0	0	108.6	V859 F865 W870 V885 Y894 V895 V896	V859-L953 HydrophobicContact CB-CB 4.05Å; V859-L953 HydrophobicContact CG1-CB 4.48Å; V859-L953 HydrophobicContact CG1-CD1 4.24Å; V859-L953 PolarHBondContact N-O 3.07Å; V859-L953 WeakPolarHBondContact O-CB 3.25Å; V859-L953 PolarHBondContact O-N 3.19Å; F865-L953 HydrophobicContact CD2-CD1 3.98Å; F865-L953 HydrophobicContact CE2-CD1 3.83Å; F865-L953 HydrophobicContact CE2-CD2 4.15Å; F865-L953 HydrophobicContact CE2-CG 4.49Å; F865-L953 HydrophobicContact CZ-CD2 4.46Å; W870-L953 HydrophobicContact CH2-CD1 3.54Å; W870-L953 HydrophobicContact CZ2-CD1 3.95Å; W870-L953 HydrophobicContact CZ3-CD1 3.97Å; V885-L953 HydrophobicContact CG2-CD2 3.95Å; Y894-L953 HydrophobicContact CD1-CB 4.29Å; V895-L953 WeakPolarHBondContact O-CA 3.48Å; V896-L953 HydrophobicContact CB-CD2 4.46Å; V896-L953 HydrophobicContact CG2-CD2 3.89Å
954	H	75	Confident	66.9	Low	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.4	169.7	-167.3	-77.8	0	0	0	107.7	T857 F858 Y894 V895 L897 N1040 L1042	T857-H954 PolarHBondContact O-CD2 3.29Å; T857-H954 PolarHBondContact O-NE2 3.5Å; F858-H954 HydrophobicContact CD1-CB 4.47Å; F858-H954 AromaticContact CD1-CD2 3.9Å; F858-H954 AromaticContact CE1-CD2 3.68Å; Y894-H954 CarbonylContact C-O 3.1Å; Y894-H954 VanDerWaalsContact CA-O 3.31Å; Y894-H954 WeakPolarHBondContact CA-O 3.26Å; V895-H954 PolarHBondContact N-O 2.88Å; V895-H954 PolarHBondContact O-N 3.13Å; V895-H954 VanDerWaalsContact O-N 3.13Å; L897-H954 HydrophobicContact CD1-CB 4.23Å; H954-N1040 PolarHBondContact NE2-ND2 3.46Å; H954-L1042 HydrophobicContact CB-CD2 4.05Å
955	S	74.4	Confident	69.5	Low	20 Å²	20	53 Å²	53	14%	0.14	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	149.7	173.4	44.5	0	0	0	0	110.2	T1037	S955-T1037 WeakPolarHBondContact O-CG2 3.5Å
956	I	75.3	Confident	72	Confident	26 Å²	26	46.9 Å²	46.9	13%	0.133	26%	0.259	C	S	.	.			trans	-120.9	134.4	175	178.9	163.8	0	0	0	109.8	I876 I884 E893 V895 A959 I1035	I876-I956 HydrophobicContact CD1-CD1 4.43Å; I884-I956 HydrophobicContact CD1-CD1 4.35Å; I884-I956 HydrophobicContact CG2-CG2 4.36Å; E893-I956 HydrophobicContact CB-CG2 3.67Å; E893-I956 WeakPolarHBondContact O-CG2 3.26Å; E893-I956 PolarHBondContact O-N 3.04Å; E893-I956 VanDerWaalsContact O-N 3.1Å; V895-I956 HydrophobicContact CG2-CB 4.1Å; V895-I956 HydrophobicContact CG2-CD1 3.92Å; V895-I956 HydrophobicContact CG2-CG2 4.21Å; I956-A959 HydrophobicContact CD1-CB 3.87Å; I956-I1035 HydrophobicContact CB-CG2 4.21Å; I956-I1035 HydrophobicContact CD1-CG2 4.48Å; I956-I1035 HydrophobicContact CG1-CG2 4.16Å
957	S	75.9	Confident	74.3	Confident	70 Å²	70	39.1 Å²	39.1	49%	0.49	23%	0.227	S	C	.	.	S	Bend	trans	-122.5	-34.8	170.7	-52	0	0	0	0	110.7	L1036	S957-L1036 WeakPolarHBondContact CB-O 3.38Å; S957-L1036 PolarHBondContact N-O 3.46Å
958	L	79.2	Confident	76.5	Confident	7 Å²	7	33.2 Å²	33.2	4%	0.037	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	147	169.5	173.6	66.8	0	0	0	109.5	V779 L795 L799 M802 I1035 L1036	V779-L958 HydrophobicContact CB-CD1 4.06Å; V779-L958 HydrophobicContact CG1-CD1 4.03Å; V779-L958 HydrophobicContact CG2-CD1 4.08Å; L795-L958 HydrophobicContact CD1-CD1 4.29Å; L795-L958 HydrophobicContact CD1-CD2 3.52Å; L799-L958 HydrophobicContact CD2-CD2 4.25Å; M802-L958 HydrophobicContact CE-CB 3.79Å; M802-L958 HydrophobicContact CE-CD2 3.72Å; M802-L958 HydrophobicContact CE-CG 4.43Å; M802-L958 HydrophobicContact SD-CB 4.08Å; L958-I1035 CarbonylContact O-C 3.58Å; L958-I1035 WeakPolarHBondContact O-CA 3.3Å; L958-L1036 HydrophobicContact CB-CB 4.19Å; L958-L1036 HydrophobicContact CD2-CD1 3.94Å; L958-L1036 PolarHBondContact N-O 2.89Å; L958-L1036 PolarHBondContact O-N 3.04Å
959	A	82.9	Confident	78.3	Confident	8 Å²	8	30.1 Å²	30.1	7%	0.066	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.1	162.5	0	0	0	0	0	109.2	M784 I876 I956 L1033 L1034 I1035	M784-A959 HydrophobicContact CE-CB 4.34Å; M784-A959 WeakPolarHBondContact CE-O 2.98Å; I876-A959 HydrophobicContact CD1-CB 4.2Å; I956-A959 HydrophobicContact CD1-CB 3.87Å; A959-L1033 HydrophobicContact CB-CD1 4.34Å; A959-L1034 CarbonylContact C-O 3.52Å; A959-L1034 WeakPolarHBondContact CA-O 2.97Å; A959-I1035 HydrophobicContact CB-CG1 4.43Å
960	V	85.1	Confident	79.7	Confident	1 Å²	1	28 Å²	28	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	144.9	178.1	68.4	0	0	0	0	109.8	L795 L965 L1034 L1036	L795-V960 HydrophobicContact CD2-CG2 4.24Å; V960-L965 HydrophobicContact CG1-CB 4.24Å; V960-L965 HydrophobicContact CG1-CD1 4.4Å; V960-L965 HydrophobicContact CG1-CD2 4.18Å; V960-L965 HydrophobicContact CG2-CB 4.26Å; V960-L1034 HydrophobicContact CG1-CB 4.09Å; V960-L1034 PolarHBondContact N-O 3.3Å; V960-L1034 PolarHBondContact O-N 3.12Å; V960-L1036 HydrophobicContact CG1-CD1 4.09Å
961	T	88.2	Confident	80.4	Confident	32 Å²	32	26.6 Å²	26.6	20%	0.196	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	154.4	170.6	54.8	0	0	0	0	110.2	K963 S964 L965 I1032	T961-K963 VanDerWaalsContact C-N 3.29Å; T961-K963 PolarHBondContact O-N 2.93Å; T961-S964 PolarHBondContact O-N 3.07Å; T961-S964 WeakPolarHBondContact OG1-CB 3.33Å; T961-S964 PolarHBondContact OG1-N 2.98Å; T961-S964 PolarHBondContact OG1-OG 3.49Å; T961-S964 VanDerWaalsContact OG1-OG 3.12Å; T961-L965 PolarHBondContact O-N 3.27Å; T961-I1032 CarbonylContact C-O 3.57Å; T961-I1032 WeakPolarHBondContact CA-O 3.39Å
962	L	89.5	Confident	80.6	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.1	-42.3	176.8	179.5	63.3	0	0	0	110.9	L965 L966 I1005 V1009 P1029 I1032 L1034 L1073 L1077	L962-L965 PolarHBondContact O-N 2.98Å; L962-L966 HydrophobicContact CD1-CD1 4.24Å; L962-L966 HydrophobicContact CD1-CD2 4.45Å; L962-L966 HydrophobicContact CD1-CG 4.11Å; L962-L966 HydrophobicContact CG-CD1 3.95Å; L962-L966 HydrophobicContact CG-CG 4.25Å; L962-L966 WeakPolarHBondContact O-CG 3.31Å; L962-L966 PolarHBondContact O-N 2.94Å; L962-I1005 HydrophobicContact CD1-CG2 4.23Å; L962-V1009 HydrophobicContact CD1-CG2 4.31Å; L962-V1009 HydrophobicContact CD2-CG1 4.5Å; L962-P1029 HydrophobicContact CB-CB 4.21Å; L962-P1029 WeakPolarHBondContact CB-O 3.45Å; L962-P1029 HydrophobicContact CD2-CB 4.15Å; L962-P1029 HydrophobicContact CD2-CG 4.47Å; L962-P1029 HydrophobicContact CG-CB 4.13Å; L962-P1029 PolarHBondContact N-O 3.13Å; L962-I1032 HydrophobicContact CB-CB 3.99Å; L962-I1032 HydrophobicContact CB-CG2 4.09Å; L962-I1032 HydrophobicContact CD2-CB 4.37Å; L962-I1032 HydrophobicContact CD2-CD1 3.95Å; L962-I1032 HydrophobicContact CD2-CG2 4.33Å; L962-I1032 PolarHBondContact N-O 3.46Å; L962-L1034 HydrophobicContact CD1-CD1 4.14Å; L962-L1073 HydrophobicContact CD2-CD1 3.81Å; L962-L1077 HydrophobicContact CD1-CD2 4.2Å; L962-L1077 HydrophobicContact CD2-CD2 4.1Å
963	K	87.7	Confident	80.6	Confident	73 Å²	73	30.1 Å²	30.1	32%	0.317	16%	0.158	S	C	.	.	H	α-helix	trans	-56.8	-52.8	175	-175.6	176.5	174.6	173.5	0	112.6	T961 L965 L966 N967 P1029 E1030	T961-K963 VanDerWaalsContact C-N 3.29Å; T961-K963 PolarHBondContact O-N 2.93Å; K963-L965 PolarHBondContact O-N 3.45Å; K963-L965 VanDerWaalsContact O-N 3.14Å; K963-L966 PolarHBondContact O-N 2.67Å; K963-L966 VanDerWaalsContact O-N 3.12Å; K963-N967 WeakPolarHBondContact CG-OD1 3.41Å; K963-N967 WeakPolarHBondContact O-CB 3.34Å; K963-N967 PolarHBondContact O-N 2.95Å; K963-N967 PolarHBondContact O-OD1 3.05Å; K963-N967 VanDerWaalsContact O-OD1 3.04Å; K963-P1029 HydrophobicContact CB-CB 4.02Å; K963-P1029 PolarHBondContact N-O 3.48Å; K963-E1030 HydrophobicContact CB-CG 3.98Å; K963-E1030 HydrophobicContact CD-CG 3.42Å; K963-E1030 VanDerWaalsContact CD-CG 3.42Å; K963-E1030 WeakPolarHBondContact CD-OE1 3.38Å; K963-E1030 WeakPolarHBondContact CE-OE1 3.24Å; K963-E1030 HydrophobicContact CG-CG 4.33Å; K963-E1030 IonicContact NZ-OE1 3.95Å; K963-E1030 PolarHBondContact NZ-OE1 3.32Å
964	S	83.6	Confident	80.6	Confident	43 Å²	43	36.2 Å²	36.2	30%	0.301	19%	0.186	S	C	.	.	H	α-helix	trans	-61.2	-27.1	-178.9	-66.4	0	0	0	0	112.5	T961 L968	T961-S964 PolarHBondContact O-N 3.07Å; T961-S964 WeakPolarHBondContact OG1-CB 3.33Å; T961-S964 PolarHBondContact OG1-N 2.98Å; T961-S964 PolarHBondContact OG1-OG 3.49Å; T961-S964 VanDerWaalsContact OG1-OG 3.12Å; S964-L968 PolarHBondContact O-N 3.25Å
965	L	85.2	Confident	80.4	Confident	1 Å²	1	40 Å²	40	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-81.6	-35.5	175.6	-165.6	63.6	0	0	0	113.2	L795 L799 V960 T961 L962 K963 L968 F969 F1001 I1005 L1034	L795-L965 HydrophobicContact CD2-CD1 4.46Å; L799-L965 HydrophobicContact CD1-CD1 4.23Å; V960-L965 HydrophobicContact CG1-CB 4.24Å; V960-L965 HydrophobicContact CG1-CD1 4.4Å; V960-L965 HydrophobicContact CG1-CD2 4.18Å; V960-L965 HydrophobicContact CG2-CB 4.26Å; T961-L965 PolarHBondContact O-N 3.27Å; L962-L965 PolarHBondContact O-N 2.98Å; K963-L965 PolarHBondContact O-N 3.45Å; K963-L965 VanDerWaalsContact O-N 3.14Å; L965-L968 HydrophobicContact CD1-CD2 4.22Å; L965-L968 WeakPolarHBondContact O-CB 3.4Å; L965-F969 HydrophobicContact CD1-CD2 4.49Å; L965-F969 HydrophobicContact CD1-CE2 3.69Å; L965-F969 HydrophobicContact CD1-CZ 4.37Å; L965-F969 HydrophobicContact CG-CD2 4.42Å; L965-F969 HydrophobicContact CG-CE2 3.93Å; L965-F969 WeakPolarHBondContact O-CD2 3.43Å; L965-F1001 HydrophobicContact CD1-CE1 4.33Å; L965-F1001 HydrophobicContact CD2-CE1 4.34Å; L965-I1005 HydrophobicContact CD2-CD1 4.3Å; L965-I1005 HydrophobicContact CD2-CG1 4.2Å; L965-I1005 HydrophobicContact CD2-CG2 4.16Å; L965-L1034 HydrophobicContact CD2-CD1 3.59Å
966	L	87.6	Confident	80.1	Confident	15 Å²	15	40 Å²	40	8%	0.079	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-51.8	173.3	-68.2	175.1	0	0	0	110.8	L962 K963 L968 F969 E970 L1002	L962-L966 HydrophobicContact CD1-CD1 4.24Å; L962-L966 HydrophobicContact CD1-CD2 4.45Å; L962-L966 HydrophobicContact CD1-CG 4.11Å; L962-L966 HydrophobicContact CG-CD1 3.95Å; L962-L966 HydrophobicContact CG-CG 4.25Å; L962-L966 WeakPolarHBondContact O-CG 3.31Å; L962-L966 PolarHBondContact O-N 2.94Å; K963-L966 PolarHBondContact O-N 2.67Å; K963-L966 VanDerWaalsContact O-N 3.12Å; L966-L968 PolarHBondContact O-N 2.99Å; L966-F969 PolarHBondContact O-N 3.28Å; L966-E970 PolarHBondContact O-N 3.13Å; L966-L1002 HydrophobicContact CD2-CD1 3.8Å
967	N	84.2	Confident	79.8	Confident	36 Å²	36	43.8 Å²	43.8	19%	0.193	22%	0.219	C	C	.	.	H	α-helix	trans	-54.9	-30	177.1	-70.2	33.2	0	0	0	112.6	K963 K971	K963-N967 WeakPolarHBondContact CG-OD1 3.41Å; K963-N967 WeakPolarHBondContact O-CB 3.34Å; K963-N967 PolarHBondContact O-N 2.95Å; K963-N967 PolarHBondContact O-OD1 3.05Å; K963-N967 VanDerWaalsContact O-OD1 3.04Å; N967-K971 WeakPolarHBondContact O-CB 3.44Å; N967-K971 VanDerWaalsContact O-CG 3.31Å; N967-K971 WeakPolarHBondContact O-CG 3.4Å; N967-K971 PolarHBondContact O-N 3.11Å
968	L	81	Confident	79.5	Confident	10 Å²	10	43.5 Å²	43.5	5%	0.052	22%	0.221	C	C	.	.	H	α-helix	trans	-64.2	-47	175.1	-178.2	76.7	0	0	0	112.2	S792 L795 K796 L799 S964 L965 L966 H972	S792-L968 VanDerWaalsContact CA-CD1 3.48Å; S792-L968 WeakPolarHBondContact OG-CD1 3.45Å; L795-L968 HydrophobicContact CB-CD1 4.43Å; L795-L968 HydrophobicContact CB-CD2 4.4Å; L795-L968 HydrophobicContact CD2-CD1 4.24Å; L795-L968 HydrophobicContact CD2-CD2 3.74Å; L795-L968 HydrophobicContact CD2-CG 4.42Å; L795-L968 HydrophobicContact CG-CD2 3.75Å; K796-L968 HydrophobicContact CG-CD1 4.28Å; K796-L968 HydrophobicContact CG-CD2 4.38Å; L799-L968 HydrophobicContact CD1-CD2 4.32Å; S964-L968 PolarHBondContact O-N 3.25Å; L965-L968 HydrophobicContact CD1-CD2 4.22Å; L965-L968 WeakPolarHBondContact O-CB 3.4Å; L966-L968 PolarHBondContact O-N 2.99Å; L968-H972 PolarHBondContact O-N 2.81Å
969	F	79.5	Confident	78.7	Confident	16 Å²	16	47.5 Å²	47.5	7%	0.07	24%	0.239	C	C	.	.	H	α-helix	trans	-84.3	-26	-175.1	-65.5	-58.2	0	0	0	112.6	L799 L965 L966 H972 K973 V998 F1001 L1002	L799-F969 HydrophobicContact CD1-CZ 3.88Å; L965-F969 HydrophobicContact CD1-CD2 4.49Å; L965-F969 HydrophobicContact CD1-CE2 3.69Å; L965-F969 HydrophobicContact CD1-CZ 4.37Å; L965-F969 HydrophobicContact CG-CD2 4.42Å; L965-F969 HydrophobicContact CG-CE2 3.93Å; L965-F969 WeakPolarHBondContact O-CD2 3.43Å; L966-F969 PolarHBondContact O-N 3.28Å; F969-H972 PolarHBondContact O-N 2.79Å; F969-K973 VanDerWaalsContact O-CB 3.3Å; F969-K973 WeakPolarHBondContact O-CB 3.3Å; F969-K973 PolarHBondContact O-N 2.83Å; F969-V998 HydrophobicContact CB-CG1 4.2Å; F969-V998 HydrophobicContact CD1-CB 4.43Å; F969-V998 HydrophobicContact CD1-CG1 3.46Å; F969-V998 VanDerWaalsContact CD1-CG1 3.46Å; F969-V998 HydrophobicContact CD1-CG2 4.21Å; F969-V998 HydrophobicContact CE1-CG1 4.09Å; F969-V998 HydrophobicContact CE1-CG2 4.24Å; F969-V998 HydrophobicContact CG-CG1 4.01Å; F969-F1001 HydrophobicContact CE1-CD1 4.48Å; F969-F1001 AromaticContact CE2-CD1 3.61Å; F969-F1001 HydrophobicContact CE2-CD1 3.61Å; F969-F1001 AromaticContact CE2-CE1 3.71Å; F969-F1001 HydrophobicContact CE2-CE1 3.71Å; F969-F1001 AromaticContact CZ-CD1 3.46Å; F969-F1001 HydrophobicContact CZ-CD1 3.46Å; F969-F1001 VanDerWaalsContact CZ-CD1 3.46Å; F969-F1001 AromaticContact CZ-CE1 3.73Å; F969-F1001 HydrophobicContact CZ-CE1 3.73Å; F969-L1002 HydrophobicContact CD2-CD1 4.42Å
970	E	80.4	Confident	77.7	Confident	78 Å²	78	49.2 Å²	49.2	36%	0.364	25%	0.254	S	S	.	.	H	α-helix	trans	-61.2	-51.7	165.6	-71.5	171.5	176.2	0	0	110.5	L966 H972 K973 E974 H1078	L966-E970 PolarHBondContact O-N 3.13Å; E970-H972 VanDerWaalsContact C-N 3.32Å; E970-H972 PolarHBondContact O-N 3.11Å; E970-K973 WeakPolarHBondContact O-CB 3.48Å; E970-K973 PolarHBondContact O-N 3.21Å; E970-E974 WeakPolarHBondContact O-CG 3.48Å; E970-E974 PolarHBondContact O-N 3.42Å; E970-H1078 IonicContact OE1-CE1 2.9Å; E970-H1078 PolarHBondContact OE1-CE1 2.83Å
971	K	77	Confident	76.7	Confident	67 Å²	67	57 Å²	57	29%	0.291	29%	0.29	S	S	.	.	H	α-helix	trans	-58.8	-40.5	173.9	-72.1	176.2	-176.5	176.7	0	112.1	E787 N967 K973 E974 E975	E787-K971 PolarHBondContact O-NZ 3.07Å; E787-K971 IonicContact OE2-NZ 3.77Å; E787-K971 PolarHBondContact OE2-NZ 2.91Å; N967-K971 WeakPolarHBondContact O-CB 3.44Å; N967-K971 VanDerWaalsContact O-CG 3.31Å; N967-K971 WeakPolarHBondContact O-CG 3.4Å; N967-K971 PolarHBondContact O-N 3.11Å; K971-K973 VanDerWaalsContact C-N 3.31Å; K971-K973 PolarHBondContact O-N 2.91Å; K971-E974 PolarHBondContact O-N 3.02Å; K971-E975 WeakPolarHBondContact O-CB 3.21Å; K971-E975 WeakPolarHBondContact O-CG 3.37Å; K971-E975 PolarHBondContact O-N 2.92Å
972	H	72.4	Confident	75.4	Confident	24 Å²	24	59.3 Å²	59.3	11%	0.111	31%	0.307	C	S	.	.	H	α-helix	trans	-61.1	-37.3	173.9	-165.8	-35.5	0	0	0	113.1	K796 L968 F969 E970 E975 S976	K796-H972 PolarHBondContact NZ-CD2 3.34Å; L968-H972 PolarHBondContact O-N 2.81Å; F969-H972 PolarHBondContact O-N 2.79Å; E970-H972 VanDerWaalsContact C-N 3.32Å; E970-H972 PolarHBondContact O-N 3.11Å; H972-E975 WeakPolarHBondContact CA-OE2 3.44Å; H972-S976 WeakPolarHBondContact O-CB 3.45Å; H972-S976 PolarHBondContact O-N 2.84Å; H972-S976 PolarHBondContact O-OG 2.87Å
973	K	74.1	Confident	73.6	Confident	104 Å²	104	61.6 Å²	61.6	45%	0.452	33%	0.331	S	S	.	.	H	α-helix	trans	-72.3	-35.5	178.6	-169.7	171.1	-174.9	169.2	0	111.4	F969 E970 K971 S976 K977	F969-K973 VanDerWaalsContact O-CB 3.3Å; F969-K973 WeakPolarHBondContact O-CB 3.3Å; F969-K973 PolarHBondContact O-N 2.83Å; E970-K973 WeakPolarHBondContact O-CB 3.48Å; E970-K973 PolarHBondContact O-N 3.21Å; K971-K973 VanDerWaalsContact C-N 3.31Å; K971-K973 PolarHBondContact O-N 2.91Å; K973-S976 PolarHBondContact O-OG 2.94Å; K973-K977 WeakPolarHBondContact O-CG 3.48Å; K973-K977 PolarHBondContact O-N 3.39Å
974	E	74.8	Confident	72	Confident	129 Å²	129	63.8 Å²	63.8	60%	0.603	34%	0.343	S	S	*	.	H	α-helix	trans	-67.9	-48.3	171.5	-67.8	176.5	157.5	0	0	112	E970 K971 S976 K977 A978	E970-E974 WeakPolarHBondContact O-CG 3.48Å; E970-E974 PolarHBondContact O-N 3.42Å; K971-E974 PolarHBondContact O-N 3.02Å; E974-S976 VanDerWaalsContact C-N 3.34Å; E974-S976 PolarHBondContact O-N 3.17Å; E974-K977 PolarHBondContact O-N 3.03Å; E974-K977 VanDerWaalsContact O-N 3.12Å; E974-A978 PolarHBondContact O-N 3.47Å; E974-A978 VanDerWaalsContact O-N 3.15Å
975	E	70.5	Confident	70.5	Confident	80 Å²	80	69.3 Å²	69.3	37%	0.374	36%	0.364	S	S	.	.	H	α-helix	trans	-48.4	-55.2	172.1	-73.7	162.8	176.9	0	0	110.1	K796 K971 H972 K977 A978 E979	K796-E975 IonicContact NZ-OE2 2.73Å; K796-E975 PolarHBondContact NZ-OE2 3.43Å; K971-E975 WeakPolarHBondContact O-CB 3.21Å; K971-E975 WeakPolarHBondContact O-CG 3.37Å; K971-E975 PolarHBondContact O-N 2.92Å; H972-E975 WeakPolarHBondContact CA-OE2 3.44Å; E975-K977 VanDerWaalsContact C-N 3.29Å; E975-K977 PolarHBondContact O-N 3.35Å; E975-A978 PolarHBondContact O-N 2.84Å; E975-E979 WeakPolarHBondContact O-CG 3.39Å; E975-E979 PolarHBondContact O-N 3.03Å; E975-E979 VanDerWaalsContact O-N 3.1Å
976	S	67.2	Low	68.7	Low	19 Å²	19	77.8 Å²	77.8	13%	0.133	40%	0.403	C	S	.	.	H	α-helix	trans	-65.5	-23.1	-178.5	69.7	0	0	0	0	115.5	H972 K973 E974 A980	H972-S976 WeakPolarHBondContact O-CB 3.45Å; H972-S976 PolarHBondContact O-N 2.84Å; H972-S976 PolarHBondContact O-OG 2.87Å; K973-S976 PolarHBondContact O-OG 2.94Å; E974-S976 VanDerWaalsContact C-N 3.34Å; E974-S976 PolarHBondContact O-N 3.17Å; S976-A980 WeakPolarHBondContact O-CB 3.37Å; S976-A980 PolarHBondContact O-N 3.29Å; S976-A980 VanDerWaalsContact O-N 3.1Å
977	K	69.5	Low	66.9	Low	107 Å²	107	81.7 Å²	81.7	47%	0.465	42%	0.421	S	S	.	.	H	α-helix	trans	-76.2	-46.1	175.6	-80.5	172.3	174.8	-176.7	0	110.8	K973 E974 E975 E979 A980 E981	K973-K977 WeakPolarHBondContact O-CG 3.48Å; K973-K977 PolarHBondContact O-N 3.39Å; E974-K977 PolarHBondContact O-N 3.03Å; E974-K977 VanDerWaalsContact O-N 3.12Å; E975-K977 VanDerWaalsContact C-N 3.29Å; E975-K977 PolarHBondContact O-N 3.35Å; K977-E979 PolarHBondContact O-N 2.85Å; K977-A980 PolarHBondContact O-N 3.3Å; K977-A980 VanDerWaalsContact O-N 3.07Å; K977-E981 WeakPolarHBondContact O-CG 3.27Å; K977-E981 PolarHBondContact O-N 3.33Å
978	A	69.4	Low	65.4	Low	64 Å²	64	84.5 Å²	84.5	53%	0.529	43%	0.433	S	S	.	.	H	α-helix	trans	-61	-37.1	176	0	0	0	0	0	111.4	E974 E975 E981 S982	E974-A978 PolarHBondContact O-N 3.47Å; E974-A978 VanDerWaalsContact O-N 3.15Å; E975-A978 PolarHBondContact O-N 2.84Å; A978-E981 PolarHBondContact O-N 2.97Å; A978-S982 PolarHBondContact O-N 2.61Å
979	E	62.1	Low	63.9	Low	90 Å²	90	91.6 Å²	91.6	42%	0.421	47%	0.465	S	S	.	.	H	α-helix	trans	-68.5	-33.6	172.9	-66.9	173.2	140.6	0	0	112.9	E975 K977 S982 H991	E975-E979 WeakPolarHBondContact O-CG 3.39Å; E975-E979 PolarHBondContact O-N 3.03Å; E975-E979 VanDerWaalsContact O-N 3.1Å; K977-E979 PolarHBondContact O-N 2.85Å; E979-S982 PolarHBondContact O-OG 2.98Å; E979-H991 IonicContact OE1-CE1 3.58Å; E979-H991 IonicContact OE2-CE1 3.58Å; E979-H991 PolarHBondContact OE2-CE1 3.23Å; E979-H991 IonicContact OE2-ND1 2.66Å; E979-H991 PolarHBondContact OE2-ND1 2.96Å
980	A	62.2	Low	62.7	Low	45 Å²	45	94.6 Å²	94.6	37%	0.372	48%	0.479	S	S	.	.	H	α-helix	trans	-73.3	-33.8	174.8	0	0	0	0	0	113	S976 K977	S976-A980 WeakPolarHBondContact O-CB 3.37Å; S976-A980 PolarHBondContact O-N 3.29Å; S976-A980 VanDerWaalsContact O-N 3.1Å; K977-A980 PolarHBondContact O-N 3.3Å; K977-A980 VanDerWaalsContact O-N 3.07Å
981	E	63.9	Low	61.5	Low	165 Å²	165	92.3 Å²	92.3	77%	0.771	47%	0.468	S	S	*	.	H	α-helix	trans	-75.2	-20	178.4	-73.5	173.5	-159.4	0	0	113.4	K977 A978 G983	K977-E981 WeakPolarHBondContact O-CG 3.27Å; K977-E981 PolarHBondContact O-N 3.33Å; A978-E981 PolarHBondContact O-N 2.97Å; E981-G983 PolarHBondContact O-N 3.01Å
982	S	61.6	Low	60.7	Low	79 Å²	79	94.7 Å²	94.7	55%	0.552	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-12	178.6	75.8	0	0	0	0	114.5	A978 E979	A978-S982 PolarHBondContact O-N 2.61Å; E979-S982 PolarHBondContact O-OG 2.98Å
983	G	51.1	Low	60	Low	48 Å²	48	95.5 Å²	95.5	50%	0.495	48%	0.484	S	S	.	.			trans	87.1	1.2	168.1	0	0	0	0	0	116.5	E981 Q985	E981-G983 PolarHBondContact O-N 3.01Å; G983-Q985 PolarHBondContact O-N 3.23Å
984	E	54	Low	59.5	Low	120 Å²	120	93.6 Å²	93.6	56%	0.561	48%	0.477	S	S	*	.			trans	-74.3	91.7	180	-63.5	-166.1	140.4	0	0	111.9	Q986 H987	E984-Q986 PolarHBondContact O-N 2.84Å; E984-H987 HydrophobicContact CB-CB 4.43Å; E984-H987 WeakPolarHBondContact O-CB 3.47Å; E984-H987 PolarHBondContact O-N 3.09Å; E984-H987 IonicContact OE2-CD2 3.88Å; E984-H987 IonicContact OE2-NE2 2.84Å
985	Q	52.3	Low	59.3	Low	159 Å²	159	89 Å²	89	74%	0.743	46%	0.455	S	S	*	.	H	α-helix	trans	-54.7	-27.7	-172	-65.2	-179	-4.6	0	0	115.2	G983 H987	G983-Q985 PolarHBondContact O-N 3.23Å; Q985-H987 VanDerWaalsContact C-N 3.34Å
986	Q	48.8	Very low	59.3	Low	178 Å²	178	87.1 Å²	87.1	83%	0.832	45%	0.447	S	S	*	.	H	α-helix	trans	-73.6	-24.1	177.5	-67.4	-171.7	-3.7	0	0	113.3	E984	E984-Q986 PolarHBondContact O-N 2.84Å
987	H	49.8	Very low	59.3	Low	97 Å²	97	86.4 Å²	86.4	45%	0.449	44%	0.442	S	S	.	.	H	α-helix	trans	-79	-33.7	179.7	-83.7	-86	0	0	0	112.6	E984 Q985 H989 H990 H991	E984-H987 HydrophobicContact CB-CB 4.43Å; E984-H987 WeakPolarHBondContact O-CB 3.47Å; E984-H987 PolarHBondContact O-N 3.09Å; E984-H987 IonicContact OE2-CD2 3.88Å; E984-H987 IonicContact OE2-NE2 2.84Å; Q985-H987 VanDerWaalsContact C-N 3.34Å; H987-H989 VanDerWaalsContact C-N 3.29Å; H987-H989 PolarHBondContact O-N 3.23Å; H987-H989 VanDerWaalsContact O-N 3.12Å; H987-H990 PolarHBondContact O-N 3.16Å; H987-H991 AromaticContact ND1-NE2 3.89Å; H987-H991 PolarHBondContact O-CD2 3.31Å; H987-H991 PolarHBondContact O-N 3Å; H987-H991 VanDerWaalsContact O-N 3.16Å
988	Q	51.2	Low	59.7	Low	96 Å²	96	81.9 Å²	81.9	45%	0.449	42%	0.423	S	S	.	.	H	α-helix	trans	-54.2	-37.5	-171.8	-67	-174.9	-17.1	0	0	114.4	H992	Q988-H992 PolarHBondContact O-N 3.41Å
989	H	51.1	Low	60.2	Low	158 Å²	158	81.1 Å²	81.1	73%	0.731	41%	0.41	S	S	*	.	H	α-helix	trans	-65.3	-45.7	177.3	-90.7	-71	0	0	0	113.1	H987 H992 E993	H987-H989 VanDerWaalsContact C-N 3.29Å; H987-H989 PolarHBondContact O-N 3.23Å; H987-H989 VanDerWaalsContact O-N 3.12Å; H989-H992 PolarHBondContact O-N 3.22Å; H989-E993 PolarHBondContact O-N 3.49Å
990	H	53	Low	61.2	Low	79 Å²	79	76.8 Å²	76.8	37%	0.366	39%	0.39	S	S	.	.	H	α-helix	trans	-70.9	-30.4	179.8	-83.7	-37.7	0	0	0	113	H987 E993 Q994	H987-H990 PolarHBondContact O-N 3.16Å; H990-E993 IonicContact ND1-OE2 2.64Å; H990-Q994 WeakPolarHBondContact O-CG 3.12Å; H990-Q994 PolarHBondContact O-N 3.5Å
991	H	56.4	Low	62.2	Low	30 Å²	30	74.9 Å²	74.9	14%	0.139	37%	0.373	C	S	.	.	H	α-helix	trans	-65.5	-38.5	173	-68	-70.4	0	0	0	112	E979 H987 E993 Q994 Q995	E979-H991 IonicContact OE1-CE1 3.58Å; E979-H991 IonicContact OE2-CE1 3.58Å; E979-H991 PolarHBondContact OE2-CE1 3.23Å; E979-H991 IonicContact OE2-ND1 2.66Å; E979-H991 PolarHBondContact OE2-ND1 2.96Å; H987-H991 AromaticContact ND1-NE2 3.89Å; H987-H991 PolarHBondContact O-CD2 3.31Å; H987-H991 PolarHBondContact O-N 3Å; H987-H991 VanDerWaalsContact O-N 3.16Å; H991-E993 PolarHBondContact O-N 2.81Å; H991-Q994 PolarHBondContact O-N 2.8Å; H991-Q995 WeakPolarHBondContact O-CB 3.25Å; H991-Q995 PolarHBondContact O-N 2.88Å
992	H	59.6	Low	63.3	Low	118 Å²	118	68.5 Å²	68.5	55%	0.546	34%	0.344	S	S	.	.	H	α-helix	trans	-63.3	-43.3	179.8	-167.5	71.5	0	0	0	112.5	Q988 H989 Q995 Q996	Q988-H992 PolarHBondContact O-N 3.41Å; H989-H992 PolarHBondContact O-N 3.22Å; H992-Q995 PolarHBondContact O-N 2.8Å; H992-Q996 PolarHBondContact CD2-NE2 3.31Å; H992-Q996 PolarHBondContact NE2-NE2 2.85Å; H992-Q996 WeakPolarHBondContact O-CG 3.32Å; H992-Q996 PolarHBondContact O-N 2.77Å
993	E	58	Low	64.6	Low	40 Å²	40	65.1 Å²	65.1	19%	0.187	32%	0.32	C	S	.	.	H	α-helix	trans	-68.6	-37.4	177.9	-62.5	-175.8	132.4	0	0	112.5	K812 H989 H990 H991 Q995 Q996 C997	K812-E993 VanDerWaalsContact CB-OE1 3.23Å; K812-E993 WeakPolarHBondContact CB-OE1 3.37Å; K812-E993 WeakPolarHBondContact CD-OE1 3.09Å; H989-E993 PolarHBondContact O-N 3.49Å; H990-E993 IonicContact ND1-OE2 2.64Å; H991-E993 PolarHBondContact O-N 2.81Å; E993-Q995 VanDerWaalsContact C-N 3.35Å; E993-Q996 PolarHBondContact O-N 3.45Å; E993-C997 PolarHBondContact O-N 2.75Å; E993-C997 PolarHBondContact O-SG 3.39Å
994	Q	63.8	Low	66.5	Low	65 Å²	65	62.8 Å²	62.8	30%	0.304	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-38.9	173.3	-71.3	-173.9	53.6	0	0	112	Q810 H990 H991 C997 V998	Q810-Q994 HydrophobicContact CG-CG 4.13Å; H990-Q994 WeakPolarHBondContact O-CG 3.12Å; H990-Q994 PolarHBondContact O-N 3.5Å; H991-Q994 PolarHBondContact O-N 2.8Å; Q994-C997 WeakPolarHBondContact O-CB 3.21Å; Q994-C997 PolarHBondContact O-N 3.04Å; Q994-V998 PolarHBondContact O-N 3.16Å
995	Q	69.1	Low	68.2	Low	31 Å²	31	57.2 Å²	57.2	15%	0.145	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-43.4	176.3	-174.2	55.8	40.7	0	0	111.7	H991 H992 E993 C997 V998 D999	H991-Q995 WeakPolarHBondContact O-CB 3.25Å; H991-Q995 PolarHBondContact O-N 2.88Å; H992-Q995 PolarHBondContact O-N 2.8Å; E993-Q995 VanDerWaalsContact C-N 3.35Å; Q995-C997 PolarHBondContact O-N 3.49Å; Q995-V998 WeakPolarHBondContact O-CB 3.19Å; Q995-V998 PolarHBondContact O-N 3.36Å; Q995-D999 WeakPolarHBondContact CG-OD2 3.43Å; Q995-D999 PolarHBondContact NE2-OD1 3.16Å; Q995-D999 PolarHBondContact NE2-OD2 2.94Å; Q995-D999 PolarHBondContact O-N 3.27Å
996	Q	70.3	Confident	70.2	Confident	41 Å²	41	50.4 Å²	50.4	19%	0.192	24%	0.238	C	C	.	.	H	α-helix	trans	-55.6	-35.8	173.2	-73.6	173.3	-3.6	0	0	113	H992 E993 L1000 N1102	H992-Q996 PolarHBondContact CD2-NE2 3.31Å; H992-Q996 PolarHBondContact NE2-NE2 2.85Å; H992-Q996 WeakPolarHBondContact O-CG 3.32Å; H992-Q996 PolarHBondContact O-N 2.77Å; E993-Q996 PolarHBondContact O-N 3.45Å; Q996-L1000 WeakPolarHBondContact O-CB 3.45Å; Q996-L1000 PolarHBondContact O-N 3.27Å; Q996-L1000 VanDerWaalsContact O-N 3.16Å; Q996-N1102 VanDerWaalsContact CD-OD1 3.24Å; Q996-N1102 PolarHBondContact OE1-OD1 3.02Å; Q996-N1102 VanDerWaalsContact OE1-OD1 3.11Å
997	C	68.9	Low	72.3	Confident	4 Å²	4	42 Å²	42	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-44	174.5	-61.5	0	0	0	0	112.3	F806 L809 E993 Q994 Q995 F1001	F806-C997 HydrophobicContact CD1-CB 4.15Å; F806-C997 WeakPolarHBondContact CE1-O 3.49Å; L809-C997 WeakPolarHBondContact CB-SG 3.48Å; E993-C997 PolarHBondContact O-N 2.75Å; E993-C997 PolarHBondContact O-SG 3.39Å; Q994-C997 WeakPolarHBondContact O-CB 3.21Å; Q994-C997 PolarHBondContact O-N 3.04Å; Q995-C997 PolarHBondContact O-N 3.49Å; C997-F1001 PolarHBondContact O-N 3Å; C997-F1001 VanDerWaalsContact O-N 3.16Å
998	V	76.5	Confident	74.3	Confident	12 Å²	12	37.4 Å²	37.4	7%	0.073	18%	0.178	C	C	.	.	H	α-helix	trans	-64.7	-46.8	179.3	165.5	0	0	0	0	110.7	F969 Q994 Q995 L1000 F1001 L1002	F969-V998 HydrophobicContact CB-CG1 4.2Å; F969-V998 HydrophobicContact CD1-CB 4.43Å; F969-V998 HydrophobicContact CD1-CG1 3.46Å; F969-V998 VanDerWaalsContact CD1-CG1 3.46Å; F969-V998 HydrophobicContact CD1-CG2 4.21Å; F969-V998 HydrophobicContact CE1-CG1 4.09Å; F969-V998 HydrophobicContact CE1-CG2 4.24Å; F969-V998 HydrophobicContact CG-CG1 4.01Å; Q994-V998 PolarHBondContact O-N 3.16Å; Q995-V998 WeakPolarHBondContact O-CB 3.19Å; Q995-V998 PolarHBondContact O-N 3.36Å; V998-L1000 VanDerWaalsContact C-N 3.35Å; V998-L1000 PolarHBondContact O-N 3.2Å; V998-F1001 PolarHBondContact O-N 3.4Å; V998-L1002 WeakPolarHBondContact O-CB 3.27Å; V998-L1002 PolarHBondContact O-N 2.75Å
999	D	80.9	Confident	76.3	Confident	48 Å²	48	32.8 Å²	32.8	26%	0.257	16%	0.156	S	C	.	.	H	α-helix	trans	-64.6	-38.5	-180	-68.2	-36.8	0	0	0	111.8	Q995 F1001 T1003 I1098	Q995-D999 WeakPolarHBondContact CG-OD2 3.43Å; Q995-D999 PolarHBondContact NE2-OD1 3.16Å; Q995-D999 PolarHBondContact NE2-OD2 2.94Å; Q995-D999 PolarHBondContact O-N 3.27Å; D999-F1001 PolarHBondContact O-N 3.08Å; D999-T1003 VanDerWaalsContact O-CB 3.27Å; D999-T1003 WeakPolarHBondContact O-CB 3.49Å; D999-T1003 PolarHBondContact O-N 2.88Å; D999-T1003 PolarHBondContact O-OG1 3.12Å; D999-I1098 HydrophobicContact CB-CD1 4.24Å
1000	L	82.9	Confident	78.3	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.8	-45.5	172.5	-174.7	81	0	0	0	111.6	L805 L809 Q996 V998 C1004 F1095 I1098 I1099 Y1103 V1126	L805-L1000 HydrophobicContact CD2-CD2 3.76Å; L809-L1000 HydrophobicContact CD1-CD2 4.08Å; Q996-L1000 WeakPolarHBondContact O-CB 3.45Å; Q996-L1000 PolarHBondContact O-N 3.27Å; Q996-L1000 VanDerWaalsContact O-N 3.16Å; V998-L1000 VanDerWaalsContact C-N 3.35Å; V998-L1000 PolarHBondContact O-N 3.2Å; L1000-C1004 PolarHBondContact O-N 3.32Å; L1000-C1004 VanDerWaalsContact O-N 3.1Å; L1000-C1004 PolarHBondContact O-SG 3.5Å; L1000-F1095 HydrophobicContact CD1-CD2 4.05Å; L1000-F1095 HydrophobicContact CD1-CE2 3.42Å; L1000-F1095 VanDerWaalsContact CD1-CE2 3.42Å; L1000-F1095 HydrophobicContact CD1-CZ 4.11Å; L1000-F1095 HydrophobicContact CG-CE2 4.05Å; L1000-I1098 HydrophobicContact CB-CG2 4.04Å; L1000-I1098 HydrophobicContact CD1-CG2 3.82Å; L1000-I1099 HydrophobicContact CD1-CG1 4.33Å; L1000-Y1103 HydrophobicContact CD1-CE2 4.33Å; L1000-Y1103 VanDerWaalsContact CD2-OH 3.25Å; L1000-Y1103 WeakPolarHBondContact CD2-OH 3.07Å; L1000-V1126 HydrophobicContact CD1-CG2 4.49Å
1001	F	83.6	Confident	80.1	Confident	4 Å²	4	21.7 Å²	21.7	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-66.1	-49.7	178.5	-177.4	-122	0	0	0	112	L799 F806 L965 F969 C997 V998 D999 T1003 C1004 I1005 W1121 I1122	L799-F1001 HydrophobicContact CD1-CE1 3.81Å; L799-F1001 HydrophobicContact CD1-CZ 4.32Å; L799-F1001 HydrophobicContact CD2-CE1 3.99Å; L799-F1001 HydrophobicContact CD2-CE2 4.46Å; L799-F1001 HydrophobicContact CD2-CZ 3.62Å; F806-F1001 HydrophobicContact CE1-CB 3.82Å; F806-F1001 HydrophobicContact CE2-CB 4.39Å; F806-F1001 AromaticContact CE2-CD2 3.95Å; F806-F1001 HydrophobicContact CE2-CD2 3.95Å; F806-F1001 HydrophobicContact CE2-CG 4.27Å; F806-F1001 HydrophobicContact CZ-CB 3.48Å; F806-F1001 VanDerWaalsContact CZ-CB 3.48Å; F806-F1001 AromaticContact CZ-CD2 3.58Å; F806-F1001 HydrophobicContact CZ-CD2 3.58Å; F806-F1001 AromaticContact CZ-CG 3.75Å; F806-F1001 HydrophobicContact CZ-CG 3.75Å; L965-F1001 HydrophobicContact CD1-CE1 4.33Å; L965-F1001 HydrophobicContact CD2-CE1 4.34Å; F969-F1001 HydrophobicContact CE1-CD1 4.48Å; F969-F1001 AromaticContact CE2-CD1 3.61Å; F969-F1001 HydrophobicContact CE2-CD1 3.61Å; F969-F1001 AromaticContact CE2-CE1 3.71Å; F969-F1001 HydrophobicContact CE2-CE1 3.71Å; F969-F1001 AromaticContact CZ-CD1 3.46Å; F969-F1001 HydrophobicContact CZ-CD1 3.46Å; F969-F1001 VanDerWaalsContact CZ-CD1 3.46Å; F969-F1001 AromaticContact CZ-CE1 3.73Å; F969-F1001 HydrophobicContact CZ-CE1 3.73Å; C997-F1001 PolarHBondContact O-N 3Å; C997-F1001 VanDerWaalsContact O-N 3.16Å; V998-F1001 PolarHBondContact O-N 3.4Å; D999-F1001 PolarHBondContact O-N 3.08Å; F1001-T1003 VanDerWaalsContact C-N 3.25Å; F1001-T1003 PolarHBondContact O-N 3.44Å; F1001-C1004 WeakPolarHBondContact O-CA 3.44Å; F1001-C1004 VanDerWaalsContact O-CB 3.3Å; F1001-C1004 WeakPolarHBondContact O-CB 3.3Å; F1001-C1004 PolarHBondContact O-N 2.99Å; F1001-I1005 HydrophobicContact CD1-CG1 4.39Å; F1001-I1005 HydrophobicContact CD2-CG1 4.33Å; F1001-I1005 HydrophobicContact CE1-CD1 4.45Å; F1001-I1005 HydrophobicContact CE1-CG1 4Å; F1001-I1005 HydrophobicContact CE2-CD1 3.92Å; F1001-I1005 HydrophobicContact CE2-CG1 3.94Å; F1001-I1005 HydrophobicContact CZ-CD1 3.77Å; F1001-I1005 HydrophobicContact CZ-CG1 3.76Å; F1001-I1005 WeakPolarHBondContact O-CG1 3.4Å; F1001-I1005 PolarHBondContact O-N 3.32Å; F1001-W1121 HydrophobicContact CE2-CZ2 4.37Å; F1001-I1122 HydrophobicContact CD2-CD1 3.66Å; F1001-I1122 HydrophobicContact CE2-CD1 3.95Å
1002	L	87.2	Confident	81.7	Confident	32 Å²	32	20.2 Å²	20.2	17%	0.168	10%	0.098	C	C	.	.	H	α-helix	trans	-58.1	-41.9	-179.6	-178	59.8	0	0	0	110.5	L966 F969 V998 C1004 I1005 K1006	L966-L1002 HydrophobicContact CD2-CD1 3.8Å; F969-L1002 HydrophobicContact CD2-CD1 4.42Å; V998-L1002 WeakPolarHBondContact O-CB 3.27Å; V998-L1002 PolarHBondContact O-N 2.75Å; L1002-C1004 PolarHBondContact O-N 3.5Å; L1002-I1005 PolarHBondContact O-N 2.99Å; L1002-I1005 VanDerWaalsContact O-N 3.13Å; L1002-K1006 WeakPolarHBondContact O-CG 3.49Å; L1002-K1006 PolarHBondContact O-N 3.43Å
1003	T	89	Confident	83.2	Confident	7 Å²	7	14.6 Å²	14.6	4%	0.043	7%	0.072	C	C	.	.	H	α-helix	trans	-65.8	-36.6	176.2	-51.4	0	0	0	0	112.3	D999 F1001 I1005 K1006 L1007 V1091 Q1094 F1095 I1098	D999-T1003 VanDerWaalsContact O-CB 3.27Å; D999-T1003 WeakPolarHBondContact O-CB 3.49Å; D999-T1003 PolarHBondContact O-N 2.88Å; D999-T1003 PolarHBondContact O-OG1 3.12Å; F1001-T1003 VanDerWaalsContact C-N 3.25Å; F1001-T1003 PolarHBondContact O-N 3.44Å; T1003-I1005 VanDerWaalsContact C-N 3.32Å; T1003-I1005 PolarHBondContact O-N 2.87Å; T1003-K1006 PolarHBondContact O-N 2.97Å; T1003-L1007 WeakPolarHBondContact O-CB 3.42Å; T1003-L1007 PolarHBondContact O-N 2.9Å; T1003-V1091 HydrophobicContact CG2-CG1 3.92Å; T1003-Q1094 HydrophobicContact CG2-CB 4.48Å; T1003-F1095 HydrophobicContact CG2-CB 3.69Å; T1003-F1095 HydrophobicContact CG2-CD2 3.82Å; T1003-F1095 HydrophobicContact CG2-CG 4.19Å; T1003-I1098 WeakPolarHBondContact OG1-CD1 3.29Å
1004	C	89.3	Confident	84.6	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.6	-38.9	170.2	-69.2	0	0	0	0	112.7	L1000 F1001 L1002 N1008 F1095 W1121	L1000-C1004 PolarHBondContact O-N 3.32Å; L1000-C1004 VanDerWaalsContact O-N 3.1Å; L1000-C1004 PolarHBondContact O-SG 3.5Å; F1001-C1004 WeakPolarHBondContact O-CA 3.44Å; F1001-C1004 VanDerWaalsContact O-CB 3.3Å; F1001-C1004 WeakPolarHBondContact O-CB 3.3Å; F1001-C1004 PolarHBondContact O-N 2.99Å; L1002-C1004 PolarHBondContact O-N 3.5Å; C1004-N1008 WeakPolarHBondContact O-CB 3.48Å; C1004-N1008 PolarHBondContact O-N 3.26Å; C1004-F1095 WeakPolarHBondContact SG-CE2 3.46Å; C1004-F1095 WeakPolarHBondContact SG-CZ 3.46Å; C1004-W1121 HydrophobicContact CB-CH2 3.68Å; C1004-W1121 HydrophobicContact CB-CZ3 3.72Å
1005	I	91.1	Very high	85.6	Confident	2 Å²	2	10.9 Å²	10.9	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-70.2	-44.9	177.5	-63.6	-67	0	0	0	111	L962 L965 F1001 L1002 T1003 L1007 N1008 V1009 L1034 L1036 W1121	L962-I1005 HydrophobicContact CD1-CG2 4.23Å; L965-I1005 HydrophobicContact CD2-CD1 4.3Å; L965-I1005 HydrophobicContact CD2-CG1 4.2Å; L965-I1005 HydrophobicContact CD2-CG2 4.16Å; F1001-I1005 HydrophobicContact CD1-CG1 4.39Å; F1001-I1005 HydrophobicContact CD2-CG1 4.33Å; F1001-I1005 HydrophobicContact CE1-CD1 4.45Å; F1001-I1005 HydrophobicContact CE1-CG1 4Å; F1001-I1005 HydrophobicContact CE2-CD1 3.92Å; F1001-I1005 HydrophobicContact CE2-CG1 3.94Å; F1001-I1005 HydrophobicContact CZ-CD1 3.77Å; F1001-I1005 HydrophobicContact CZ-CG1 3.76Å; F1001-I1005 WeakPolarHBondContact O-CG1 3.4Å; F1001-I1005 PolarHBondContact O-N 3.32Å; L1002-I1005 PolarHBondContact O-N 2.99Å; L1002-I1005 VanDerWaalsContact O-N 3.13Å; T1003-I1005 VanDerWaalsContact C-N 3.32Å; T1003-I1005 PolarHBondContact O-N 2.87Å; I1005-L1007 VanDerWaalsContact C-N 3.31Å; I1005-L1007 PolarHBondContact O-N 2.74Å; I1005-N1008 PolarHBondContact O-N 3.12Å; I1005-V1009 HydrophobicContact CG2-CG2 4.42Å; I1005-V1009 WeakPolarHBondContact O-CG2 3.48Å; I1005-V1009 PolarHBondContact O-N 3.32Å; I1005-L1034 HydrophobicContact CG2-CD1 3.84Å; I1005-L1036 HydrophobicContact CD1-CD2 4.11Å; I1005-W1121 HydrophobicContact CD1-CH2 3.99Å; I1005-W1121 HydrophobicContact CD1-CZ2 4.05Å
1006	K	92.8	Very high	86.3	Confident	17 Å²	17	9.6 Å²	9.6	7%	0.074	5%	0.051	C	C	.	.	H	α-helix	trans	-51.4	-52.3	171.6	-67.6	-175.5	-169.1	-158.9	0	110.4	L1002 T1003 N1008 V1009 L1010 L1077 H1078 I1079 V1091	L1002-K1006 WeakPolarHBondContact O-CG 3.49Å; L1002-K1006 PolarHBondContact O-N 3.43Å; T1003-K1006 PolarHBondContact O-N 2.97Å; K1006-N1008 VanDerWaalsContact C-N 3.35Å; K1006-N1008 PolarHBondContact O-N 2.65Å; K1006-V1009 PolarHBondContact O-N 2.94Å; K1006-L1010 WeakPolarHBondContact O-CG 3.27Å; K1006-L1010 PolarHBondContact O-N 2.87Å; K1006-L1010 VanDerWaalsContact O-N 3.1Å; K1006-L1077 WeakPolarHBondContact CD-O 3.26Å; K1006-L1077 WeakPolarHBondContact CE-O 3.31Å; K1006-L1077 HydrophobicContact CG-CB 4.5Å; K1006-L1077 HydrophobicContact CG-CD2 4.26Å; K1006-L1077 PolarHBondContact NZ-O 3.06Å; K1006-H1078 PolarHBondContact NZ-O 2.87Å; K1006-H1078 VanDerWaalsContact NZ-O 3.16Å; K1006-I1079 HydrophobicContact CD-CD1 4.3Å; K1006-I1079 HydrophobicContact CD-CG1 4.33Å; K1006-V1091 HydrophobicContact CB-CG1 4.05Å; K1006-V1091 HydrophobicContact CB-CG2 4.21Å; K1006-V1091 HydrophobicContact CD-CG2 4.3Å
1007	L	93.2	Very high	86.8	Confident	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.7	-43	179.5	-175.9	59.9	0	0	0	111.9	L918 T1003 I1005 L1011 I1088 V1091 L1092 I1129	L918-L1007 HydrophobicContact CD1-CD2 4.5Å; T1003-L1007 WeakPolarHBondContact O-CB 3.42Å; T1003-L1007 PolarHBondContact O-N 2.9Å; I1005-L1007 VanDerWaalsContact C-N 3.31Å; I1005-L1007 PolarHBondContact O-N 2.74Å; L1007-L1011 HydrophobicContact CD1-CD1 3.88Å; L1007-L1011 HydrophobicContact CD1-CG 4.07Å; L1007-L1011 HydrophobicContact CG-CD1 3.84Å; L1007-L1011 HydrophobicContact CG-CG 4.42Å; L1007-L1011 VanDerWaalsContact O-CB 3.3Å; L1007-L1011 WeakPolarHBondContact O-CB 3.16Å; L1007-L1011 VanDerWaalsContact O-CG 3.27Å; L1007-L1011 WeakPolarHBondContact O-CG 3.43Å; L1007-L1011 PolarHBondContact O-N 3Å; L1007-I1088 HydrophobicContact CD1-CG2 4.08Å; L1007-V1091 HydrophobicContact CB-CG1 3.78Å; L1007-V1091 HydrophobicContact CD1-CG1 4.29Å; L1007-L1092 HydrophobicContact CD1-CD2 3.79Å; L1007-L1092 HydrophobicContact CD1-CG 3.97Å; L1007-L1092 HydrophobicContact CD2-CD2 3.82Å; L1007-L1092 HydrophobicContact CG-CD2 4.49Å; L1007-I1129 HydrophobicContact CD2-CD1 3.98Å
1008	N	92.4	Very high	87	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-64.8	-44.1	178.8	-168.2	49.5	0	0	0	112.7	I914 C1004 I1005 K1006 S1012 C1041 T1043	I914-N1008 VanDerWaalsContact CB-OD1 3.32Å; I914-N1008 WeakPolarHBondContact CB-OD1 3.42Å; I914-N1008 HydrophobicContact CD1-CB 3.6Å; I914-N1008 VanDerWaalsContact CD1-OD1 3.25Å; I914-N1008 WeakPolarHBondContact CD1-OD1 3.22Å; I914-N1008 HydrophobicContact CG1-CB 4.36Å; I914-N1008 WeakPolarHBondContact CG1-OD1 3.21Å; C1004-N1008 WeakPolarHBondContact O-CB 3.48Å; C1004-N1008 PolarHBondContact O-N 3.26Å; I1005-N1008 PolarHBondContact O-N 3.12Å; K1006-N1008 VanDerWaalsContact C-N 3.35Å; K1006-N1008 PolarHBondContact O-N 2.65Å; N1008-S1012 WeakPolarHBondContact O-CB 3.48Å; N1008-S1012 PolarHBondContact O-N 3.17Å; N1008-S1012 PolarHBondContact O-OG 3.07Å; N1008-C1041 WeakPolarHBondContact ND2-CB 3.49Å; N1008-C1041 PolarHBondContact ND2-O 3.37Å; N1008-C1041 PolarHBondContact ND2-SG 2.69Å; N1008-C1041 PolarHBondContact OD1-O 2.64Å; N1008-T1043 PolarHBondContact ND2-OG1 3.05Å; N1008-T1043 VanDerWaalsContact ND2-OG1 3.12Å
1009	V	92.9	Very high	86.3	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.9	-48.5	179.8	171.2	0	0	0	0	110.2	L962 I1005 K1006 S1012 L1013 L1034 T1043 L1073 L1077	L962-V1009 HydrophobicContact CD1-CG2 4.31Å; L962-V1009 HydrophobicContact CD2-CG1 4.5Å; I1005-V1009 HydrophobicContact CG2-CG2 4.42Å; I1005-V1009 WeakPolarHBondContact O-CG2 3.48Å; I1005-V1009 PolarHBondContact O-N 3.32Å; K1006-V1009 PolarHBondContact O-N 2.94Å; V1009-S1012 PolarHBondContact O-N 3.39Å; V1009-L1013 VanDerWaalsContact O-CB 3.29Å; V1009-L1013 WeakPolarHBondContact O-CB 3.43Å; V1009-L1013 PolarHBondContact O-N 2.64Å; V1009-L1034 HydrophobicContact CG2-CD2 3.98Å; V1009-T1043 HydrophobicContact CG2-CG2 4.27Å; V1009-L1073 HydrophobicContact CG1-CD2 4.43Å; V1009-L1077 HydrophobicContact CG1-CD1 4.28Å
1010	L	92.6	Very high	85.3	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.8	-45.6	179.6	-63.4	173.1	0	0	0	112.7	K1006 S1012 L1013 S1014 L1074 L1077 I1079 M1084 I1088 V1091	K1006-L1010 WeakPolarHBondContact O-CG 3.27Å; K1006-L1010 PolarHBondContact O-N 2.87Å; K1006-L1010 VanDerWaalsContact O-N 3.1Å; L1010-S1012 VanDerWaalsContact C-N 3.3Å; L1010-S1012 PolarHBondContact O-N 3.1Å; L1010-L1013 PolarHBondContact O-N 2.7Å; L1010-S1014 WeakPolarHBondContact O-CB 3.3Å; L1010-S1014 PolarHBondContact O-N 3.41Å; L1010-L1074 HydrophobicContact CD2-CD2 3.77Å; L1010-L1077 HydrophobicContact CD2-CD1 4.27Å; L1010-L1077 HydrophobicContact CG-CD1 4.5Å; L1010-I1079 HydrophobicContact CD1-CD1 3.81Å; L1010-M1084 HydrophobicContact CB-SD 4.42Å; L1010-M1084 HydrophobicContact CD2-SD 3.89Å; L1010-I1088 HydrophobicContact CB-CD1 4.04Å; L1010-I1088 HydrophobicContact CB-CG1 3.49Å; L1010-I1088 VanDerWaalsContact CB-CG1 3.49Å; L1010-I1088 HydrophobicContact CD1-CG1 4Å; L1010-I1088 HydrophobicContact CG-CG1 4.35Å; L1010-V1091 HydrophobicContact CD1-CG2 4.08Å
1011	L	91.8	Very high	84.1	Confident	3 Å²	3	28.8 Å²	28.8	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-62.8	-36.5	175.7	-74.7	175.4	0	0	0	112.3	I914 L917 L918 W921 L1007 E1015 I1088	I914-L1011 HydrophobicContact CG1-CD1 4.49Å; L917-L1011 HydrophobicContact CB-CB 4.08Å; L917-L1011 HydrophobicContact CB-CD1 4.34Å; L917-L1011 HydrophobicContact CD1-CB 4.17Å; L918-L1011 HydrophobicContact CB-CD1 4.09Å; L918-L1011 HydrophobicContact CD1-CD1 4.36Å; W921-L1011 HydrophobicContact CB-CD2 3.95Å; W921-L1011 HydrophobicContact CD2-CD2 4.07Å; W921-L1011 HydrophobicContact CE3-CD2 4.04Å; W921-L1011 HydrophobicContact CG-CD2 4.03Å; L1007-L1011 HydrophobicContact CD1-CD1 3.88Å; L1007-L1011 HydrophobicContact CD1-CG 4.07Å; L1007-L1011 HydrophobicContact CG-CD1 3.84Å; L1007-L1011 HydrophobicContact CG-CG 4.42Å; L1007-L1011 VanDerWaalsContact O-CB 3.3Å; L1007-L1011 WeakPolarHBondContact O-CB 3.16Å; L1007-L1011 VanDerWaalsContact O-CG 3.27Å; L1007-L1011 WeakPolarHBondContact O-CG 3.43Å; L1007-L1011 PolarHBondContact O-N 3Å; L1011-E1015 PolarHBondContact O-N 2.93Å; L1011-I1088 HydrophobicContact CD2-CD1 4.36Å; L1011-I1088 HydrophobicContact CD2-CG2 4.22Å
1012	S	90.6	Very high	82.9	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.8	-42	175.7	-60.1	0	0	0	0	111.5	N1008 V1009 L1010 E1015 C1016 T1043	N1008-S1012 WeakPolarHBondContact O-CB 3.48Å; N1008-S1012 PolarHBondContact O-N 3.17Å; N1008-S1012 PolarHBondContact O-OG 3.07Å; V1009-S1012 PolarHBondContact O-N 3.39Å; L1010-S1012 VanDerWaalsContact C-N 3.3Å; L1010-S1012 PolarHBondContact O-N 3.1Å; S1012-E1015 PolarHBondContact O-N 2.87Å; S1012-C1016 PolarHBondContact O-N 2.86Å; S1012-C1016 VanDerWaalsContact O-N 3.11Å; S1012-C1016 PolarHBondContact O-SG 3.37Å; S1012-T1043 WeakPolarHBondContact OG-CB 3.5Å; S1012-T1043 PolarHBondContact OG-OG1 2.98Å
1013	L	89.9	Confident	81.9	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.4	-40.8	178.8	-176	50.1	0	0	0	110.9	V1009 L1010 C1016 L1017 L1025 L1027 F1045 L1070 L1073 M1084	V1009-L1013 VanDerWaalsContact O-CB 3.29Å; V1009-L1013 WeakPolarHBondContact O-CB 3.43Å; V1009-L1013 PolarHBondContact O-N 2.64Å; L1010-L1013 PolarHBondContact O-N 2.7Å; L1013-C1016 PolarHBondContact O-N 3.16Å; L1013-L1017 HydrophobicContact CD1-CD1 3.82Å; L1013-L1017 HydrophobicContact CD1-CG 3.96Å; L1013-L1017 HydrophobicContact CG-CD1 3.9Å; L1013-L1017 HydrophobicContact CG-CG 4.46Å; L1013-L1017 WeakPolarHBondContact O-CG 3.12Å; L1013-L1017 PolarHBondContact O-N 3.29Å; L1013-L1025 HydrophobicContact CD1-CD1 3.61Å; L1013-L1027 HydrophobicContact CD1-CD2 3.74Å; L1013-L1027 HydrophobicContact CD2-CD1 4.25Å; L1013-L1027 HydrophobicContact CD2-CD2 3.96Å; L1013-F1045 HydrophobicContact CB-CE1 4.08Å; L1013-F1045 HydrophobicContact CB-CE2 4.45Å; L1013-F1045 HydrophobicContact CB-CZ 3.68Å; L1013-F1045 HydrophobicContact CD1-CD1 4.38Å; L1013-F1045 HydrophobicContact CD1-CE1 4.02Å; L1013-F1045 HydrophobicContact CD1-CZ 4.19Å; L1013-F1045 HydrophobicContact CD2-CE1 4.5Å; L1013-F1045 HydrophobicContact CG-CE1 4.43Å; L1013-F1045 HydrophobicContact CG-CZ 4.44Å; L1013-L1070 HydrophobicContact CD2-CD1 4.41Å; L1013-L1073 HydrophobicContact CD2-CD2 3.68Å; L1013-M1084 HydrophobicContact CB-CE 4.48Å; L1013-M1084 HydrophobicContact CD2-CE 3.63Å; L1013-M1084 HydrophobicContact CD2-SD 4.44Å; L1013-M1084 HydrophobicContact CG-CE 3.75Å; L1013-M1084 HydrophobicContact CG-SD 4.5Å
1014	S	87.9	Confident	81.1	Confident	18 Å²	18	33 Å²	33	13%	0.126	17%	0.17	C	C	.	.	H	α-helix	trans	-56.5	-49.2	171.3	171.8	0	0	0	0	112.5	L1010 C1016 L1017 D1018	L1010-S1014 WeakPolarHBondContact O-CB 3.3Å; L1010-S1014 PolarHBondContact O-N 3.41Å; S1014-C1016 VanDerWaalsContact C-N 3.27Å; S1014-C1016 PolarHBondContact O-N 2.76Å; S1014-L1017 PolarHBondContact O-N 2.84Å; S1014-D1018 WeakPolarHBondContact O-CB 3.43Å; S1014-D1018 PolarHBondContact O-N 3.08Å
1015	E	85.4	Confident	80.7	Confident	9 Å²	9	33.6 Å²	33.6	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-31.9	177.1	-156.6	-149.5	122.1	0	0	112.7	P910 T911 K912 L917 L1011 S1012 K1019	P910-E1015 HydrophobicContact CB-CB 4.29Å; P910-E1015 WeakPolarHBondContact CB-OE2 3.37Å; T911-E1015 VanDerWaalsContact N-CD 3.3Å; T911-E1015 PolarHBondContact N-OE1 2.93Å; T911-E1015 PolarHBondContact N-OE2 2.8Å; T911-E1015 VanDerWaalsContact N-OE2 3.09Å; T911-E1015 PolarHBondContact OG1-OE1 3.24Å; K912-E1015 VanDerWaalsContact CB-OE2 3.24Å; K912-E1015 WeakPolarHBondContact CB-OE2 3.37Å; K912-E1015 HydrophobicContact CD-CG 4.29Å; K912-E1015 WeakPolarHBondContact CD-OE2 3.46Å; K912-E1015 VanDerWaalsContact CG-OE2 3.24Å; K912-E1015 WeakPolarHBondContact CG-OE2 3.44Å; K912-E1015 PolarHBondContact N-OE2 3.1Å; L917-E1015 HydrophobicContact CD2-CB 3.67Å; L917-E1015 HydrophobicContact CD2-CG 3.96Å; L917-E1015 WeakPolarHBondContact CD2-OE2 3.31Å; L1011-E1015 PolarHBondContact O-N 2.93Å; S1012-E1015 PolarHBondContact O-N 2.87Å; E1015-K1019 WeakPolarHBondContact O-CG 3.48Å; E1015-K1019 WeakPolarHBondContact OE1-CE 3.4Å; E1015-K1019 IonicContact OE1-NZ 3.55Å; E1015-K1019 PolarHBondContact OE1-NZ 2.8Å
1016	C	83.9	Confident	80.4	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.02	18%	0.178	C	C	.	.	H	α-helix	trans	-72.7	-38.5	179	-67.5	0	0	0	0	112.4	S1012 L1013 S1014 L1025	S1012-C1016 PolarHBondContact O-N 2.86Å; S1012-C1016 VanDerWaalsContact O-N 3.11Å; S1012-C1016 PolarHBondContact O-SG 3.37Å; L1013-C1016 PolarHBondContact O-N 3.16Å; S1014-C1016 VanDerWaalsContact C-N 3.27Å; S1014-C1016 PolarHBondContact O-N 2.76Å; C1016-L1025 HydrophobicContact CB-CD1 4.09Å
1017	L	80.6	Confident	80	Confident	64 Å²	64	34.2 Å²	34.2	34%	0.335	18%	0.178	S	C	.	.	H	α-helix	trans	-79.9	-33.6	-179.4	-66.8	172.6	0	0	0	113.1	L1013 S1014 K1019 L1025 M1084	L1013-L1017 HydrophobicContact CD1-CD1 3.82Å; L1013-L1017 HydrophobicContact CD1-CG 3.96Å; L1013-L1017 HydrophobicContact CG-CD1 3.9Å; L1013-L1017 HydrophobicContact CG-CG 4.46Å; L1013-L1017 WeakPolarHBondContact O-CG 3.12Å; L1013-L1017 PolarHBondContact O-N 3.29Å; S1014-L1017 PolarHBondContact O-N 2.84Å; L1017-K1019 PolarHBondContact O-N 2.92Å; L1017-L1025 HydrophobicContact CD2-CD1 4.1Å; L1017-M1084 HydrophobicContact CD1-CE 4.09Å
1018	D	71.7	Confident	79.7	Confident	129 Å²	129	38 Å²	38	69%	0.69	20%	0.197	S	C	*	.	H	α-helix	trans	-59.7	-28.8	178.4	-101.8	3.2	0	0	0	113.3	S1014	S1014-D1018 WeakPolarHBondContact O-CB 3.43Å; S1014-D1018 PolarHBondContact O-N 3.08Å
1019	K	63.4	Low	79.4	Confident	71 Å²	71	39.1 Å²	39.1	31%	0.309	20%	0.204	S	C	.	.	H	α-helix	trans	-77.1	-46.8	-174.5	-73.6	176.2	171.9	-168	0	113.7	E902 T911 E1015 L1017	E902-K1019 IonicContact OE1-NZ 3.53Å; E902-K1019 PolarHBondContact OE1-NZ 3.29Å; T911-K1019 VanDerWaalsContact CG2-NZ 3.27Å; T911-K1019 PolarHBondContact OG1-NZ 2.93Å; T911-K1019 VanDerWaalsContact OG1-NZ 3.15Å; E1015-K1019 WeakPolarHBondContact O-CG 3.48Å; E1015-K1019 WeakPolarHBondContact OE1-CE 3.4Å; E1015-K1019 IonicContact OE1-NZ 3.55Å; E1015-K1019 PolarHBondContact OE1-NZ 2.8Å; L1017-K1019 PolarHBondContact O-N 2.92Å
1020	D	59.1	Low	79	Confident	55 Å²	55	43.5 Å²	43.5	29%	0.294	23%	0.225	S	C	.	.			trans	-144.4	94.7	-171.7	-77	-45.8	0	0	0	109.8	R908 S1022 I1023	R908-D1020 IonicContact CZ-OD2 2.65Å; R908-D1020 IonicContact NH1-OD2 2.79Å; R908-D1020 PolarHBondContact NH1-OD2 3.23Å; R908-D1020 IonicContact NH2-OD2 3.56Å; R908-D1020 PolarHBondContact NH2-OD2 3.17Å; D1020-S1022 PolarHBondContact O-N 3.39Å; D1020-I1023 HydrophobicContact CB-CD1 3.67Å; D1020-I1023 HydrophobicContact CB-CG1 3.65Å; D1020-I1023 WeakPolarHBondContact O-CG1 3.17Å; D1020-I1023 PolarHBondContact O-N 3.33Å; D1020-I1023 VanDerWaalsContact O-N 3.13Å
1021	K	58.9	Low	78.7	Confident	190 Å²	190	46.2 Å²	46.2	83%	0.826	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-10.1	179.1	-62	-172.5	176.7	-171.4	0	114.7	K1066	K1021-K1066 PolarHBondContact O-NZ 2.88Å
1022	S	58.1	Low	78.6	Confident	93 Å²	93	46 Å²	46	65%	0.65	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-7.8	179.3	52.4	0	0	0	0	114.3	D1020	D1020-S1022 PolarHBondContact O-N 3.39Å
1023	I	66.1	Low	78.6	Confident	11 Å²	11	46.1 Å²	46.1	6%	0.056	24%	0.237	C	C	.	.			trans	-70.9	141.1	173.3	-47.4	156.2	0	0	0	109.4	R908 D1020 L1025 Q1047	R908-I1023 HydrophobicContact CG-CD1 4.33Å; D1020-I1023 HydrophobicContact CB-CD1 3.67Å; D1020-I1023 HydrophobicContact CB-CG1 3.65Å; D1020-I1023 WeakPolarHBondContact O-CG1 3.17Å; D1020-I1023 PolarHBondContact O-N 3.33Å; D1020-I1023 VanDerWaalsContact O-N 3.13Å; I1023-L1025 HydrophobicContact CG2-CD2 3.62Å; I1023-L1025 HydrophobicContact CG2-CG 3.96Å; I1023-Q1047 HydrophobicContact CG2-CG 4.19Å
1024	Q	72.2	Confident	78.6	Confident	27 Å²	27	46.1 Å²	46.1	13%	0.126	24%	0.237	C	C	.	.			trans	-105.1	114.7	159.7	-64.8	169.8	10.9	0	0	106.4	Q1047 Y1048 E1062	Q1024-Q1047 WeakPolarHBondContact O-CG 3.24Å; Q1024-Y1048 WeakPolarHBondContact O-CB 3.36Å; Q1024-Y1048 PolarHBondContact O-N 2.84Å; Q1024-E1062 PolarHBondContact NE2-OE1 3.12Å; Q1024-E1062 PolarHBondContact NE2-OE2 3.2Å
1025	L	81	Confident	78.6	Confident	13 Å²	13	45.3 Å²	45.3	7%	0.068	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	144.9	175	-65.6	176.8	0	0	0	109.1	R908 L1013 C1016 L1017 I1023 L1027 F1045	R908-L1025 HydrophobicContact CB-CD2 3.86Å; R908-L1025 HydrophobicContact CG-CD2 3.94Å; L1013-L1025 HydrophobicContact CD1-CD1 3.61Å; C1016-L1025 HydrophobicContact CB-CD1 4.09Å; L1017-L1025 HydrophobicContact CD2-CD1 4.1Å; I1023-L1025 HydrophobicContact CG2-CD2 3.62Å; I1023-L1025 HydrophobicContact CG2-CG 3.96Å; L1025-L1027 HydrophobicContact CB-CD2 3.87Å; L1025-F1045 HydrophobicContact CD1-CB 4.4Å; L1025-F1045 HydrophobicContact CD1-CG 4.38Å; L1025-F1045 HydrophobicContact CD2-CB 4.13Å
1026	D	83.3	Confident	78.5	Confident	17 Å²	17	44.9 Å²	44.9	9%	0.091	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	114.8	168.3	-166.9	-39.7	0	0	0	108.3	I1028 H1031 K1046	D1026-I1028 WeakPolarHBondContact OD1-CB 3.06Å; D1026-I1028 VanDerWaalsContact OD1-CG1 3.3Å; D1026-I1028 WeakPolarHBondContact OD1-CG1 3.34Å; D1026-I1028 PolarHBondContact OD1-N 3.14Å; D1026-I1028 VanDerWaalsContact OD1-N 3.09Å; D1026-H1031 HydrophobicContact CB-CB 4.17Å; D1026-H1031 IonicContact OD1-CG 3.84Å; D1026-H1031 IonicContact OD1-ND1 3.57Å; D1026-H1031 PolarHBondContact OD1-ND1 3.07Å; D1026-H1031 IonicContact OD2-CE1 2.75Å; D1026-H1031 IonicContact OD2-CG 3Å; D1026-H1031 IonicContact OD2-ND1 3.64Å; D1026-H1031 PolarHBondContact OD2-ND1 3.44Å; D1026-K1046 HydrophobicContact CB-CB 4.23Å; D1026-K1046 PolarHBondContact N-O 3.15Å
1027	L	85.6	Confident	78.1	Confident	15 Å²	15	44.9 Å²	44.9	8%	0.079	23%	0.229	C	C	.	.			trans	-102	7.1	-174.3	-57.6	-174.9	0	0	0	112.8	L1013 L1025 F1045 N1069 L1070 L1073	L1013-L1027 HydrophobicContact CD1-CD2 3.74Å; L1013-L1027 HydrophobicContact CD2-CD1 4.25Å; L1013-L1027 HydrophobicContact CD2-CD2 3.96Å; L1025-L1027 HydrophobicContact CB-CD2 3.87Å; L1027-F1045 HydrophobicContact CD2-CD1 4.19Å; L1027-N1069 HydrophobicContact CB-CB 4.32Å; L1027-N1069 HydrophobicContact CD1-CB 4.31Å; L1027-N1069 HydrophobicContact CG-CB 4.48Å; L1027-L1070 HydrophobicContact CD1-CB 4.4Å; L1027-L1073 HydrophobicContact CB-CB 4.18Å; L1027-L1073 HydrophobicContact CB-CD2 4.14Å; L1027-L1073 HydrophobicContact CD1-CD2 4.45Å; L1027-L1073 HydrophobicContact CD2-CD2 4.33Å
1028	I	86.3	Confident	77.8	Confident	79 Å²	79	43 Å²	43	41%	0.405	22%	0.22	S	C	.	.	S	Bend	trans	-63.3	131.4	174.3	-60.6	171.6	0	0	0	108.3	D1026 E1030 H1031 I1032	D1026-I1028 WeakPolarHBondContact OD1-CB 3.06Å; D1026-I1028 VanDerWaalsContact OD1-CG1 3.3Å; D1026-I1028 WeakPolarHBondContact OD1-CG1 3.34Å; D1026-I1028 PolarHBondContact OD1-N 3.14Å; D1026-I1028 VanDerWaalsContact OD1-N 3.09Å; I1028-E1030 HydrophobicContact CG2-CB 4.27Å; I1028-E1030 PolarHBondContact O-N 2.95Å; I1028-H1031 WeakPolarHBondContact O-CA 3.48Å; I1028-H1031 PolarHBondContact O-N 2.97Å; I1028-I1032 PolarHBondContact O-N 2.87Å
1029	P	86.6	Confident	77.8	Confident	24 Å²	24	37.2 Å²	37.2	16%	0.156	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-15.1	-177.4	-30.1	37.1	0	0	0	116.4	L962 K963 L1073 A1076	L962-P1029 HydrophobicContact CB-CB 4.21Å; L962-P1029 WeakPolarHBondContact CB-O 3.45Å; L962-P1029 HydrophobicContact CD2-CB 4.15Å; L962-P1029 HydrophobicContact CD2-CG 4.47Å; L962-P1029 HydrophobicContact CG-CB 4.13Å; L962-P1029 PolarHBondContact N-O 3.13Å; K963-P1029 HydrophobicContact CB-CB 4.02Å; K963-P1029 PolarHBondContact N-O 3.48Å; P1029-L1073 HydrophobicContact CG-CD1 4.49Å; P1029-A1076 HydrophobicContact CG-CB 3.81Å
1030	E	85	Confident	78.7	Confident	93 Å²	93	34 Å²	34	44%	0.435	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-25.8	171	-63.1	-171.6	-173.7	0	0	113.2	K963 I1028	K963-E1030 HydrophobicContact CB-CG 3.98Å; K963-E1030 HydrophobicContact CD-CG 3.42Å; K963-E1030 VanDerWaalsContact CD-CG 3.42Å; K963-E1030 WeakPolarHBondContact CD-OE1 3.38Å; K963-E1030 WeakPolarHBondContact CE-OE1 3.24Å; K963-E1030 HydrophobicContact CG-CG 4.33Å; K963-E1030 IonicContact NZ-OE1 3.95Å; K963-E1030 PolarHBondContact NZ-OE1 3.32Å; I1028-E1030 HydrophobicContact CG2-CB 4.27Å; I1028-E1030 PolarHBondContact O-N 2.95Å
1031	H	86.4	Confident	80	Confident	56 Å²	56	31.4 Å²	31.4	26%	0.259	16%	0.163	S	C	.	.	S	Bend	trans	-100.5	8.6	-177.3	-62.5	162.8	0	0	0	113.1	W879 D1026 I1028 K1046	W879-H1031 VanDerWaalsContact CH2-O 3.22Å; W879-H1031 WeakPolarHBondContact CH2-O 3.5Å; W879-H1031 VanDerWaalsContact CZ2-O 3.32Å; W879-H1031 WeakPolarHBondContact CZ2-O 3.43Å; D1026-H1031 HydrophobicContact CB-CB 4.17Å; D1026-H1031 IonicContact OD1-CG 3.84Å; D1026-H1031 IonicContact OD1-ND1 3.57Å; D1026-H1031 PolarHBondContact OD1-ND1 3.07Å; D1026-H1031 IonicContact OD2-CE1 2.75Å; D1026-H1031 IonicContact OD2-CG 3Å; D1026-H1031 IonicContact OD2-ND1 3.64Å; D1026-H1031 PolarHBondContact OD2-ND1 3.44Å; I1028-H1031 WeakPolarHBondContact O-CA 3.48Å; I1028-H1031 PolarHBondContact O-N 2.97Å; H1031-K1046 HydrophobicContact CB-CB 4.34Å; H1031-K1046 HydrophobicContact CB-CD 4.07Å; H1031-K1046 HydrophobicContact CB-CG 4.28Å; H1031-K1046 PolarHBondContact O-N 3.13Å
1032	I	89.5	Confident	81.4	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.2	168.9	-58.5	176.4	0	0	0	108.4	T961 L962 I1028 T1043 F1045 L1073	T961-I1032 CarbonylContact C-O 3.57Å; T961-I1032 WeakPolarHBondContact CA-O 3.39Å; L962-I1032 HydrophobicContact CB-CB 3.99Å; L962-I1032 HydrophobicContact CB-CG2 4.09Å; L962-I1032 HydrophobicContact CD2-CB 4.37Å; L962-I1032 HydrophobicContact CD2-CD1 3.95Å; L962-I1032 HydrophobicContact CD2-CG2 4.33Å; L962-I1032 PolarHBondContact N-O 3.46Å; I1028-I1032 PolarHBondContact O-N 2.87Å; I1032-T1043 HydrophobicContact CG2-CG2 3.62Å; I1032-F1045 HydrophobicContact CD1-CD1 4.15Å; I1032-F1045 HydrophobicContact CD1-CE1 4.11Å; I1032-F1045 HydrophobicContact CG1-CD1 3.94Å; I1032-F1045 HydrophobicContact CG1-CE1 4.31Å; I1032-F1045 HydrophobicContact CG2-CD1 4.46Å; I1032-F1045 HydrophobicContact CG2-CE1 4.36Å; I1032-L1073 HydrophobicContact CD1-CD1 3.73Å; I1032-L1073 HydrophobicContact CD1-CD2 4.03Å
1033	L	90	Very high	83	Confident	2 Å²	2	18 Å²	18	1%	0.01	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134	178.1	179.2	71.6	0	0	0	110.4	I876 W879 I882 A959 I1035 T1043 I1044	I876-L1033 HydrophobicContact CD1-CD2 3.93Å; I876-L1033 HydrophobicContact CG2-CD1 4.42Å; I876-L1033 HydrophobicContact CG2-CD2 4.24Å; W879-L1033 HydrophobicContact CD2-CB 4.26Å; W879-L1033 HydrophobicContact CD2-CD2 4.01Å; W879-L1033 HydrophobicContact CE3-CD2 4.38Å; W879-L1033 HydrophobicContact CG-CD2 4.16Å; W879-L1033 HydrophobicContact CH2-CB 3.81Å; W879-L1033 HydrophobicContact CZ2-CB 3.41Å; W879-L1033 VanDerWaalsContact CZ2-CB 3.41Å; W879-L1033 HydrophobicContact CZ3-CB 4.42Å; I882-L1033 HydrophobicContact CD1-CD2 3.87Å; A959-L1033 HydrophobicContact CB-CD1 4.34Å; L1033-I1035 HydrophobicContact CD2-CD1 4.49Å; L1033-I1035 HydrophobicContact CD2-CG1 4.43Å; L1033-T1043 CarbonylContact O-C 3.4Å; L1033-T1043 WeakPolarHBondContact O-CA 3.4Å; L1033-I1044 HydrophobicContact CB-CB 4.39Å; L1033-I1044 PolarHBondContact N-O 3.14Å; L1033-I1044 PolarHBondContact O-N 3.18Å
1034	L	90.6	Very high	84.1	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	119.9	175	-58.1	173.9	0	0	0	108.8	A959 V960 L962 L965 I1005 V1009 T1043	A959-L1034 CarbonylContact C-O 3.52Å; A959-L1034 WeakPolarHBondContact CA-O 2.97Å; V960-L1034 HydrophobicContact CG1-CB 4.09Å; V960-L1034 PolarHBondContact N-O 3.3Å; V960-L1034 PolarHBondContact O-N 3.12Å; L962-L1034 HydrophobicContact CD1-CD1 4.14Å; L965-L1034 HydrophobicContact CD2-CD1 3.59Å; I1005-L1034 HydrophobicContact CG2-CD1 3.84Å; V1009-L1034 HydrophobicContact CG2-CD2 3.98Å; L1034-T1043 HydrophobicContact CD2-CG2 3.99Å
1035	I	86.3	Confident	85	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	111.1	169.1	-64.5	165	0	0	0	107.4	I876 V895 I956 L958 A959 L1033 C1041 L1042 I1044	I876-I1035 HydrophobicContact CD1-CD1 4.46Å; V895-I1035 HydrophobicContact CB-CD1 4.22Å; V895-I1035 HydrophobicContact CG1-CD1 3.96Å; V895-I1035 HydrophobicContact CG2-CD1 3.98Å; I956-I1035 HydrophobicContact CB-CG2 4.21Å; I956-I1035 HydrophobicContact CD1-CG2 4.48Å; I956-I1035 HydrophobicContact CG1-CG2 4.16Å; L958-I1035 CarbonylContact O-C 3.58Å; L958-I1035 WeakPolarHBondContact O-CA 3.3Å; A959-I1035 HydrophobicContact CB-CG1 4.43Å; L1033-I1035 HydrophobicContact CD2-CD1 4.49Å; L1033-I1035 HydrophobicContact CD2-CG1 4.43Å; I1035-C1041 WeakPolarHBondContact O-CA 3.28Å; I1035-L1042 HydrophobicContact CB-CB 4.32Å; I1035-L1042 HydrophobicContact CD1-CD2 4.34Å; I1035-L1042 PolarHBondContact N-O 3.08Å; I1035-L1042 PolarHBondContact O-N 2.82Å; I1035-I1044 HydrophobicContact CD1-CD1 3.66Å
1036	L	83.1	Confident	85.2	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	136.8	-176.2	-75.2	161.6	0	0	0	110.5	L799 M802 S957 L958 V960 I1005 C1041 W1121	L799-L1036 HydrophobicContact CD2-CD1 3.99Å; M802-L1036 HydrophobicContact CE-CB 4.05Å; S957-L1036 WeakPolarHBondContact CB-O 3.38Å; S957-L1036 PolarHBondContact N-O 3.46Å; L958-L1036 HydrophobicContact CB-CB 4.19Å; L958-L1036 HydrophobicContact CD2-CD1 3.94Å; L958-L1036 PolarHBondContact N-O 2.89Å; L958-L1036 PolarHBondContact O-N 3.04Å; V960-L1036 HydrophobicContact CG1-CD1 4.09Å; I1005-L1036 HydrophobicContact CD1-CD2 4.11Å; L1036-C1041 HydrophobicContact CD2-CB 3.87Å; L1036-C1041 VanDerWaalsContact CD2-SG 3.5Å; L1036-W1121 HydrophobicContact CD2-CZ2 4.16Å
1037	T	77.2	Confident	85.1	Confident	4 Å²	4	20.3 Å²	20.3	3%	0.025	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	161.3	170.6	66.7	0	0	0	0	107.9	S955 S1039 N1040 W1121	S955-T1037 WeakPolarHBondContact O-CG2 3.5Å; T1037-S1039 PolarHBondContact O-N 2.73Å; T1037-S1039 VanDerWaalsContact O-N 3.16Å; T1037-N1040 PolarHBondContact N-O 3.37Å; T1037-N1040 VanDerWaalsContact N-O 3.07Å; T1037-N1040 VanDerWaalsContact O-O 3.12Å; T1037-N1040 PolarHBondContact OG1-N 3.14Å; T1037-N1040 PolarHBondContact OG1-O 2.7Å; T1037-W1121 PolarHBondContact O-NE1 3.36Å
1038	P	73.2	Confident	84.5	Confident	23 Å²	23	22.1 Å²	22.1	15%	0.149	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-36.3	174.2	-28.3	36.2	0	0	0	113.4	P1118 D1120 W1121	P1038-P1118 HydrophobicContact CB-CB 3.74Å; P1038-P1118 HydrophobicContact CB-CG 4.12Å; P1038-D1120 WeakPolarHBondContact O-CA 3.42Å; P1038-W1121 PolarHBondContact O-N 2.74Å; P1038-W1121 VanDerWaalsContact O-N 3.08Å
1039	S	72.7	Confident	83.5	Confident	9 Å²	9	21.8 Å²	21.8	6%	0.063	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-4.3	-170.8	-59.6	0	0	0	0	116.6	T857 T1037 P1119	T857-S1039 WeakPolarHBondContact CG2-O 3.4Å; T1037-S1039 PolarHBondContact O-N 2.73Å; T1037-S1039 VanDerWaalsContact O-N 3.16Å; S1039-P1119 VanDerWaalsContact CA-O 3.22Å; S1039-P1119 WeakPolarHBondContact CA-O 3.47Å; S1039-P1119 VanDerWaalsContact CB-O 3.3Å; S1039-P1119 WeakPolarHBondContact CB-O 3.46Å; S1039-P1119 WeakPolarHBondContact OG-CD 3.41Å; S1039-P1119 PolarHBondContact OG-O 3.42Å
1040	N	80.7	Confident	82.1	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.016	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	150.9	171	-163.4	49.9	0	0	0	111.5	T857 I914 H954 T1037	T857-N1040 HydrophobicContact CG2-CB 3.8Å; I914-N1040 PolarHBondContact N-OD1 2.93Å; I914-N1040 VanDerWaalsContact N-OD1 3.15Å; H954-N1040 PolarHBondContact NE2-ND2 3.46Å; T1037-N1040 PolarHBondContact N-O 3.37Å; T1037-N1040 VanDerWaalsContact N-O 3.07Å; T1037-N1040 VanDerWaalsContact O-O 3.12Å; T1037-N1040 PolarHBondContact OG1-N 3.14Å; T1037-N1040 PolarHBondContact OG1-O 2.7Å
1041	C	86.6	Confident	80.4	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.5	160.9	-176.3	0	0	0	0	108.5	N1008 I1035 L1036 W1121	N1008-C1041 WeakPolarHBondContact ND2-CB 3.49Å; N1008-C1041 PolarHBondContact ND2-O 3.37Å; N1008-C1041 PolarHBondContact ND2-SG 2.69Å; N1008-C1041 PolarHBondContact OD1-O 2.64Å; I1035-C1041 WeakPolarHBondContact O-CA 3.28Å; L1036-C1041 HydrophobicContact CD2-CB 3.87Å; L1036-C1041 VanDerWaalsContact CD2-SG 3.5Å; C1041-W1121 HydrophobicContact CB-CD2 4.28Å; C1041-W1121 HydrophobicContact CB-CH2 4.07Å; C1041-W1121 HydrophobicContact CB-CZ2 3.56Å
1042	L	88.7	Confident	78.7	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.6	177.6	174.9	69.3	0	0	0	109.8	F858 L897 F909 P910 H954 I1035 I1044	F858-L1042 HydrophobicContact CE1-CD1 4.48Å; F858-L1042 HydrophobicContact CZ-CD1 4.42Å; L897-L1042 HydrophobicContact CD1-CD2 3.59Å; F909-L1042 HydrophobicContact CB-CD1 4.3Å; P910-L1042 HydrophobicContact CG-CD1 3.96Å; H954-L1042 HydrophobicContact CB-CD2 4.05Å; I1035-L1042 HydrophobicContact CB-CB 4.32Å; I1035-L1042 HydrophobicContact CD1-CD2 4.34Å; I1035-L1042 PolarHBondContact N-O 3.08Å; I1035-L1042 PolarHBondContact O-N 2.82Å; L1042-I1044 HydrophobicContact CD2-CD1 4.12Å; L1042-I1044 HydrophobicContact CD2-CG1 4.25Å; L1042-I1044 HydrophobicContact CG-CG1 4.13Å
1043	T	91.5	Very high	76.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.2	172.9	-44.7	0	0	0	0	110	P910 N1008 V1009 S1012 I1032 L1033 L1034 F1045	P910-T1043 WeakPolarHBondContact CD-O 3.42Å; N1008-T1043 PolarHBondContact ND2-OG1 3.05Å; N1008-T1043 VanDerWaalsContact ND2-OG1 3.12Å; V1009-T1043 HydrophobicContact CG2-CG2 4.27Å; S1012-T1043 WeakPolarHBondContact OG-CB 3.5Å; S1012-T1043 PolarHBondContact OG-OG1 2.98Å; I1032-T1043 HydrophobicContact CG2-CG2 3.62Å; L1033-T1043 CarbonylContact O-C 3.4Å; L1033-T1043 WeakPolarHBondContact O-CA 3.4Å; L1034-T1043 HydrophobicContact CD2-CG2 3.99Å; T1043-F1045 HydrophobicContact CG2-CD2 4.46Å; T1043-F1045 HydrophobicContact CG2-CE1 3.93Å; T1043-F1045 HydrophobicContact CG2-CE2 3.79Å; T1043-F1045 HydrophobicContact CG2-CZ 3.47Å; T1043-F1045 VanDerWaalsContact CG2-CZ 3.47Å
1044	I	90.2	Very high	74.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.4	174.2	-49.8	-175.6	0	0	0	108.6	W879 I882 L897 I907 R908 F909 L1033 I1035 L1042	W879-I1044 HydrophobicContact CH2-CG2 4.32Å; W879-I1044 WeakPolarHBondContact CH2-O 3.24Å; W879-I1044 HydrophobicContact CZ3-CB 4.38Å; W879-I1044 HydrophobicContact CZ3-CG2 3.76Å; I882-I1044 HydrophobicContact CD1-CD1 3.85Å; I882-I1044 HydrophobicContact CD1-CG2 4.26Å; L897-I1044 HydrophobicContact CD2-CD1 3.71Å; I907-I1044 HydrophobicContact CB-CG2 3.94Å; I907-I1044 HydrophobicContact CD1-CG2 4.44Å; I907-I1044 HydrophobicContact CG2-CG2 4.46Å; R908-I1044 WeakPolarHBondContact O-CA 3.41Å; F909-I1044 HydrophobicContact CB-CG1 4.06Å; F909-I1044 HydrophobicContact CB-CG2 4.42Å; L1033-I1044 HydrophobicContact CB-CB 4.39Å; L1033-I1044 PolarHBondContact N-O 3.14Å; L1033-I1044 PolarHBondContact O-N 3.18Å; I1035-I1044 HydrophobicContact CD1-CD1 3.66Å; L1042-I1044 HydrophobicContact CD2-CD1 4.12Å; L1042-I1044 HydrophobicContact CD2-CG1 4.25Å; L1042-I1044 HydrophobicContact CG-CG1 4.13Å
1045	F	89.8	Confident	71.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	145.3	178.7	-53.3	-89.8	0	0	0	109.5	I907 R908 L1013 L1025 L1027 I1032 T1043	I907-F1045 CarbonylContact C-O 3.57Å; I907-F1045 VanDerWaalsContact CA-O 3.3Å; I907-F1045 WeakPolarHBondContact CA-O 3.14Å; R908-F1045 PolarHBondContact N-O 2.65Å; R908-F1045 PolarHBondContact O-N 3.46Å; L1013-F1045 HydrophobicContact CB-CE1 4.08Å; L1013-F1045 HydrophobicContact CB-CE2 4.45Å; L1013-F1045 HydrophobicContact CB-CZ 3.68Å; L1013-F1045 HydrophobicContact CD1-CD1 4.38Å; L1013-F1045 HydrophobicContact CD1-CE1 4.02Å; L1013-F1045 HydrophobicContact CD1-CZ 4.19Å; L1013-F1045 HydrophobicContact CD2-CE1 4.5Å; L1013-F1045 HydrophobicContact CG-CE1 4.43Å; L1013-F1045 HydrophobicContact CG-CZ 4.44Å; L1025-F1045 HydrophobicContact CD1-CB 4.4Å; L1025-F1045 HydrophobicContact CD1-CG 4.38Å; L1025-F1045 HydrophobicContact CD2-CB 4.13Å; L1027-F1045 HydrophobicContact CD2-CD1 4.19Å; I1032-F1045 HydrophobicContact CD1-CD1 4.15Å; I1032-F1045 HydrophobicContact CD1-CE1 4.11Å; I1032-F1045 HydrophobicContact CG1-CD1 3.94Å; I1032-F1045 HydrophobicContact CG1-CE1 4.31Å; I1032-F1045 HydrophobicContact CG2-CD1 4.46Å; I1032-F1045 HydrophobicContact CG2-CE1 4.36Å; T1043-F1045 HydrophobicContact CG2-CD2 4.46Å; T1043-F1045 HydrophobicContact CG2-CE1 3.93Å; T1043-F1045 HydrophobicContact CG2-CE2 3.79Å; T1043-F1045 HydrophobicContact CG2-CZ 3.47Å; T1043-F1045 VanDerWaalsContact CG2-CZ 3.47Å
1046	K	85.8	Confident	69.1	Low	48 Å²	48	54.5 Å²	54.5	21%	0.209	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	149.8	164.2	-64.9	-173	178.7	-179.8	0	110.5	N878 W879 K906 D1026 H1031	N878-K1046 PolarHBondContact O-NZ 2.63Å; W879-K1046 VanDerWaalsContact CE2-CE 3.43Å; W879-K1046 HydrophobicContact CE3-CG 4.23Å; W879-K1046 HydrophobicContact CH2-CD 4.26Å; W879-K1046 HydrophobicContact CH2-CG 3.41Å; W879-K1046 VanDerWaalsContact CH2-CG 3.41Å; W879-K1046 HydrophobicContact CZ2-CD 4.29Å; W879-K1046 HydrophobicContact CZ2-CG 3.91Å; W879-K1046 HydrophobicContact CZ3-CD 4.45Å; W879-K1046 HydrophobicContact CZ3-CG 3.57Å; K906-K1046 CarbonylContact O-C 3.2Å; K906-K1046 WeakPolarHBondContact O-CA 3.49Å; D1026-K1046 HydrophobicContact CB-CB 4.23Å; D1026-K1046 PolarHBondContact N-O 3.15Å; H1031-K1046 HydrophobicContact CB-CB 4.34Å; H1031-K1046 HydrophobicContact CB-CD 4.07Å; H1031-K1046 HydrophobicContact CB-CG 4.28Å; H1031-K1046 PolarHBondContact O-N 3.13Å
1047	Q	80.6	Confident	67.2	Low	68 Å²	68	62 Å²	62	32%	0.318	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	141.2	164.4	-171.4	178	-10.5	0	0	109.2	Q905 K906 I1023 Q1024 E1049	Q905-Q1047 PolarHBondContact O-OE1 3.4Å; Q905-Q1047 VanDerWaalsContact O-OE1 3.06Å; K906-Q1047 PolarHBondContact O-N 3.33Å; I1023-Q1047 HydrophobicContact CG2-CG 4.19Å; Q1024-Q1047 WeakPolarHBondContact O-CG 3.24Å; Q1047-E1049 PolarHBondContact O-N 3.09Å
1048	Y	73.6	Confident	65.5	Low	53 Å²	53	67 Å²	67	21%	0.208	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-66.5	127.7	175.7	-163.3	-92.7	0	0	0	110.9	Q1024 K1050 L1053	Q1024-Y1048 WeakPolarHBondContact O-CB 3.36Å; Q1024-Y1048 PolarHBondContact O-N 2.84Å; Y1048-K1050 PolarHBondContact O-N 3.17Å; Y1048-L1053 HydrophobicContact CE1-CD1 4.44Å
1049	E	66.5	Low	64.4	Low	72 Å²	72	72 Å²	72	34%	0.336	38%	0.379	S	S	.	.			trans	-90.6	100.7	-176.4	-168.4	165.5	-115	0	0	109.6	K906 Q1047 D1051 K1052	K906-E1049 IonicContact NZ-OE1 2.74Å; K906-E1049 PolarHBondContact NZ-OE1 3.11Å; Q1047-E1049 PolarHBondContact O-N 3.09Å; E1049-D1051 PolarHBondContact O-N 3.34Å; E1049-K1052 PolarHBondContact O-N 3.01Å; E1049-K1052 IonicContact OE2-NZ 3.89Å; E1049-K1052 PolarHBondContact OE2-NZ 3.39Å
1050	K	56.4	Low	63	Low	127 Å²	127	79 Å²	79	55%	0.552	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-56.4	-25.2	-169.2	-70.6	-161.9	171.1	-160.7	0	114.6	Y1048 K1052 L1053 E1062	Y1048-K1050 PolarHBondContact O-N 3.17Å; K1050-K1052 PolarHBondContact O-N 2.86Å; K1050-L1053 PolarHBondContact O-N 3.48Å; K1050-E1062 IonicContact NZ-OE2 2.76Å
1051	D	50.2	Low	61.3	Low	152 Å²	152	82 Å²	82	81%	0.813	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-67.8	0.2	-176.2	-51.5	-34.1	0	0	0	114.4	E1049	E1049-D1051 PolarHBondContact O-N 3.34Å
1052	K	50	Low	59.4	Low	155 Å²	155	84.9 Å²	84.9	67%	0.674	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-106.4	-2.1	177.8	-71.2	170.2	177.8	148.2	0	114.5	E1049 K1050	E1049-K1052 PolarHBondContact O-N 3.01Å; E1049-K1052 IonicContact OE2-NZ 3.89Å; E1049-K1052 PolarHBondContact OE2-NZ 3.39Å; K1050-K1052 PolarHBondContact O-N 2.86Å
1053	L	46	Very low	57.5	Low	68 Å²	68	88.8 Å²	88.8	36%	0.356	46%	0.463	S	S	.	.	S	Bend	trans	-89.4	133.8	179.6	-154.2	73.5	0	0	0	110.6	Y1048 K1050 N1055 L1065	Y1048-L1053 HydrophobicContact CE1-CD1 4.44Å; K1050-L1053 PolarHBondContact O-N 3.48Å; L1053-N1055 PolarHBondContact O-N 2.85Å; L1053-L1065 HydrophobicContact CD1-CD1 3.87Å; L1053-L1065 HydrophobicContact CD2-CD1 3.93Å
1054	P	36	Very low	55.2	Low	96 Å²	96	93 Å²	93	62%	0.623	49%	0.485	S	S	*	.			trans	-65	127	175.5	25.8	-34	0	0	0	111.1	T1056	P1054-T1056 PolarHBondContact O-N 2.93Å; P1054-T1056 PolarHBondContact O-OG1 3.09Å
1055	N	36.3	Very low	53.3	Low	173 Å²	173	95.3 Å²	95.3	93%	0.925	50%	0.497	S	S	*	.			trans	-54.9	99.3	-179.7	-77.8	-31.7	0	0	0	111.9	L1053	L1053-N1055 PolarHBondContact O-N 2.85Å
1056	T	35.9	Very low	51.8	Low	91 Å²	91	98.9 Å²	98.9	56%	0.558	51%	0.513	S	S	*	.			trans	-146.7	149.8	175	42.7	0	0	0	0	108.6	P1054	P1054-T1056 PolarHBondContact O-N 2.93Å; P1054-T1056 PolarHBondContact O-OG1 3.09Å
1057	D	43.2	Very low	50.4	Low	158 Å²	158	102.8 Å²	102.8	85%	0.845	53%	0.531	S	S	*	.			trans	-62.1	135.1	-151	-67.4	-69.9	0	0	0	116.5	N1059	D1057-N1059 PolarHBondContact O-N 3.39Å
1058	S	42.7	Very low	49.6	Very low	108 Å²	108	102.7 Å²	102.7	76%	0.755	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	100.8	-166.9	58	0	0	0	0	113.1
1059	N	49	Very low	49.8	Very low	130 Å²	130	101.8 Å²	101.8	70%	0.695	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-168.2	-48.2	138.5	-93.6	-31.2	0	0	0	111.5	D1057 N1061 E1062	D1057-N1059 PolarHBondContact O-N 3.39Å; N1059-N1061 PolarHBondContact O-N 3.22Å; N1059-E1062 PolarHBondContact O-N 2.88Å
1060	H	43.6	Very low	50.5	Low	154 Å²	154	100 Å²	100	71%	0.713	53%	0.527	S	S	*	.	H	α-helix	trans	-64.1	-42.5	-175.6	-71	-70.2	0	0	0	113.1	E1062 V1063 I1064	H1060-E1062 PolarHBondContact O-N 3.27Å; H1060-V1063 PolarHBondContact O-N 3.18Å; H1060-V1063 VanDerWaalsContact O-N 3.17Å; H1060-I1064 WeakPolarHBondContact O-CG1 3.21Å; H1060-I1064 PolarHBondContact O-N 3.32Å
1061	N	43.9	Very low	51.7	Low	67 Å²	67	96.7 Å²	96.7	36%	0.358	51%	0.513	S	S	.	.	H	α-helix	trans	-61.7	-27.2	179.2	-70.7	-9.9	0	0	0	113.2	N1059 L1065	N1059-N1061 PolarHBondContact O-N 3.22Å; N1061-L1065 WeakPolarHBondContact O-CB 3.5Å; N1061-L1065 WeakPolarHBondContact O-CD1 3.5Å; N1061-L1065 VanDerWaalsContact O-CG 3.26Å; N1061-L1065 WeakPolarHBondContact O-CG 3.48Å; N1061-L1065 PolarHBondContact O-N 2.89Å
1062	E	46.9	Very low	53.3	Low	62 Å²	62	93 Å²	93	29%	0.29	50%	0.499	S	S	.	.	H	α-helix	trans	-73.5	-27.5	178.5	175.2	157.6	-173.2	0	0	113.1	Q1024 K1050 N1059 H1060 K1066	Q1024-E1062 PolarHBondContact NE2-OE1 3.12Å; Q1024-E1062 PolarHBondContact NE2-OE2 3.2Å; K1050-E1062 IonicContact NZ-OE2 2.76Å; N1059-E1062 PolarHBondContact O-N 2.88Å; H1060-E1062 PolarHBondContact O-N 3.27Å; E1062-K1066 WeakPolarHBondContact O-CD 3.12Å; E1062-K1066 WeakPolarHBondContact O-CG 3.45Å; E1062-K1066 WeakPolarHBondContact OE1-CE 2.99Å; E1062-K1066 IonicContact OE1-NZ 3.28Å; E1062-K1066 PolarHBondContact OE1-NZ 2.76Å
1063	V	48.6	Very low	55.1	Low	82 Å²	82	85.7 Å²	85.7	50%	0.497	47%	0.467	S	S	.	.	H	α-helix	trans	-76	-50.7	172.2	-178	0	0	0	0	109.5	H1060 L1065 K1066 E1067	H1060-V1063 PolarHBondContact O-N 3.18Å; H1060-V1063 VanDerWaalsContact O-N 3.17Å; V1063-L1065 VanDerWaalsContact C-N 3.32Å; V1063-L1065 PolarHBondContact O-N 3.11Å; V1063-K1066 PolarHBondContact O-N 3.05Å; V1063-E1067 PolarHBondContact O-N 2.89Å; V1063-E1067 VanDerWaalsContact O-N 3.15Å
1064	I	44.8	Very low	57.2	Low	88 Å²	88	82.5 Å²	82.5	45%	0.451	45%	0.45	S	S	.	.	H	α-helix	trans	-57.5	-44.3	-178.8	-62.6	166.3	0	0	0	110.9	H1060 K1066 E1067 T1068	H1060-I1064 WeakPolarHBondContact O-CG1 3.21Å; H1060-I1064 PolarHBondContact O-N 3.32Å; I1064-K1066 VanDerWaalsContact C-N 3.27Å; I1064-K1066 PolarHBondContact O-N 3.36Å; I1064-E1067 PolarHBondContact O-N 3.09Å; I1064-T1068 HydrophobicContact CG2-CG2 4.12Å; I1064-T1068 WeakPolarHBondContact O-CG2 3.42Å; I1064-T1068 PolarHBondContact O-N 2.89Å; I1064-T1068 PolarHBondContact O-OG1 3.41Å
1065	L	49.2	Very low	59.6	Low	49 Å²	49	82.1 Å²	82.1	26%	0.257	44%	0.443	S	S	.	.	H	α-helix	trans	-65.7	-22.8	176.6	-78.4	164.9	0	0	0	114	L1053 N1061 V1063 N1069	L1053-L1065 HydrophobicContact CD1-CD1 3.87Å; L1053-L1065 HydrophobicContact CD2-CD1 3.93Å; N1061-L1065 WeakPolarHBondContact O-CB 3.5Å; N1061-L1065 WeakPolarHBondContact O-CD1 3.5Å; N1061-L1065 VanDerWaalsContact O-CG 3.26Å; N1061-L1065 WeakPolarHBondContact O-CG 3.48Å; N1061-L1065 PolarHBondContact O-N 2.89Å; V1063-L1065 VanDerWaalsContact C-N 3.32Å; V1063-L1065 PolarHBondContact O-N 3.11Å; L1065-N1069 VanDerWaalsContact O-CB 3.26Å; L1065-N1069 WeakPolarHBondContact O-CB 3.27Å; L1065-N1069 PolarHBondContact O-N 2.89Å; L1065-N1069 PolarHBondContact O-ND2 3.45Å
1066	K	57.6	Low	61.9	Low	76 Å²	76	75.3 Å²	75.3	33%	0.33	41%	0.411	S	S	.	.	H	α-helix	trans	-80.7	-37.3	175.7	-73.6	172.4	-172.9	173.5	0	111.2	K1021 E1062 V1063 I1064 L1070	K1021-K1066 PolarHBondContact O-NZ 2.88Å; E1062-K1066 WeakPolarHBondContact O-CD 3.12Å; E1062-K1066 WeakPolarHBondContact O-CG 3.45Å; E1062-K1066 WeakPolarHBondContact OE1-CE 2.99Å; E1062-K1066 IonicContact OE1-NZ 3.28Å; E1062-K1066 PolarHBondContact OE1-NZ 2.76Å; V1063-K1066 PolarHBondContact O-N 3.05Å; I1064-K1066 VanDerWaalsContact C-N 3.27Å; I1064-K1066 PolarHBondContact O-N 3.36Å; K1066-L1070 WeakPolarHBondContact O-CB 3.3Å; K1066-L1070 PolarHBondContact O-N 2.55Å
1067	E	58.2	Low	64.4	Low	129 Å²	129	71 Å²	71	60%	0.603	39%	0.385	S	S	*	.	H	α-helix	trans	-73.6	-46	178	-68.4	172.6	173.3	0	0	111.8	V1063 I1064 L1070 Q1071	V1063-E1067 PolarHBondContact O-N 2.89Å; V1063-E1067 VanDerWaalsContact O-N 3.15Å; I1064-E1067 PolarHBondContact O-N 3.09Å; E1067-L1070 PolarHBondContact O-N 2.84Å; E1067-Q1071 PolarHBondContact O-N 2.84Å
1068	T	63.6	Low	66.5	Low	66 Å²	66	69.4 Å²	69.4	41%	0.405	37%	0.372	S	S	.	.	H	α-helix	trans	-66.7	-44.4	179.3	56.9	0	0	0	0	112.7	I1064 L1070 Q1071 C1072	I1064-T1068 HydrophobicContact CG2-CG2 4.12Å; I1064-T1068 WeakPolarHBondContact O-CG2 3.42Å; I1064-T1068 PolarHBondContact O-N 2.89Å; I1064-T1068 PolarHBondContact O-OG1 3.41Å; T1068-L1070 VanDerWaalsContact C-N 3.26Å; T1068-L1070 PolarHBondContact O-N 3.27Å; T1068-Q1071 PolarHBondContact O-N 2.91Å; T1068-C1072 PolarHBondContact O-N 2.98Å; T1068-C1072 PolarHBondContact O-SG 2.86Å
1069	N	76.3	Confident	68.5	Low	34 Å²	34	64.5 Å²	64.5	18%	0.182	34%	0.337	C	S	.	.	H	α-helix	trans	-64.3	-30.6	176.7	-77.8	-50.5	0	0	0	112.5	L1027 L1065 L1073	L1027-N1069 HydrophobicContact CB-CB 4.32Å; L1027-N1069 HydrophobicContact CD1-CB 4.31Å; L1027-N1069 HydrophobicContact CG-CB 4.48Å; L1065-N1069 VanDerWaalsContact O-CB 3.26Å; L1065-N1069 WeakPolarHBondContact O-CB 3.27Å; L1065-N1069 PolarHBondContact O-N 2.89Å; L1065-N1069 PolarHBondContact O-ND2 3.45Å; N1069-L1073 PolarHBondContact O-N 3.25Å
1070	L	82.5	Confident	70.1	Confident	34 Å²	34	67.1 Å²	67.1	18%	0.178	35%	0.345	C	S	.	.	H	α-helix	trans	-69.7	-48.7	172.5	178	57.6	0	0	0	111	L1013 L1027 K1066 E1067 T1068 C1072 L1073 L1074 M1084	L1013-L1070 HydrophobicContact CD2-CD1 4.41Å; L1027-L1070 HydrophobicContact CD1-CB 4.4Å; K1066-L1070 WeakPolarHBondContact O-CB 3.3Å; K1066-L1070 PolarHBondContact O-N 2.55Å; E1067-L1070 PolarHBondContact O-N 2.84Å; T1068-L1070 VanDerWaalsContact C-N 3.26Å; T1068-L1070 PolarHBondContact O-N 3.27Å; L1070-C1072 VanDerWaalsContact C-N 3.34Å; L1070-C1072 PolarHBondContact O-N 2.86Å; L1070-L1073 PolarHBondContact O-N 3.47Å; L1070-L1073 VanDerWaalsContact O-N 3.09Å; L1070-L1074 HydrophobicContact CD1-CD1 4.18Å; L1070-L1074 HydrophobicContact CD1-CG 4.11Å; L1070-L1074 HydrophobicContact CG-CD1 4.03Å; L1070-L1074 HydrophobicContact CG-CG 4.39Å; L1070-L1074 WeakPolarHBondContact O-CG 3.31Å; L1070-L1074 PolarHBondContact O-N 2.96Å; L1070-M1084 HydrophobicContact CD1-CE 3.44Å; L1070-M1084 VanDerWaalsContact CD1-CE 3.44Å; L1070-M1084 HydrophobicContact CD2-CE 4.03Å; L1070-M1084 HydrophobicContact CG-CE 4.42Å
1071	Q	82	Confident	71.8	Confident	58 Å²	58	60.2 Å²	60.2	27%	0.271	31%	0.314	S	S	.	.	H	α-helix	trans	-59.3	-44.7	178.8	-170.1	61.6	59.9	0	0	111.1	E1067 T1068 L1073 L1074 D1075	E1067-Q1071 PolarHBondContact O-N 2.84Å; T1068-Q1071 PolarHBondContact O-N 2.91Å; Q1071-L1073 VanDerWaalsContact C-N 3.26Å; Q1071-L1073 PolarHBondContact O-N 2.84Å; Q1071-L1074 CarbonylContact O-C 3.59Å; Q1071-L1074 PolarHBondContact O-N 3.45Å; Q1071-D1075 PolarHBondContact NE2-OD1 2.88Å; Q1071-D1075 WeakPolarHBondContact O-CB 3.38Å; Q1071-D1075 PolarHBondContact O-N 2.94Å
1072	C	82.7	Confident	73.3	Confident	76 Å²	76	64.8 Å²	64.8	51%	0.514	33%	0.333	S	S	.	.	H	α-helix	trans	-60.6	-31.3	176.2	-65.5	0	0	0	0	113.8	T1068 L1070 A1076	T1068-C1072 PolarHBondContact O-N 2.98Å; T1068-C1072 PolarHBondContact O-SG 2.86Å; L1070-C1072 VanDerWaalsContact C-N 3.34Å; L1070-C1072 PolarHBondContact O-N 2.86Å; C1072-A1076 WeakPolarHBondContact O-CB 3.35Å; C1072-A1076 PolarHBondContact O-N 3.03Å; C1072-A1076 VanDerWaalsContact O-N 3.14Å
1073	L	88.2	Confident	75	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-73.2	-40.2	172.2	176.7	61	0	0	0	111.7	L962 V1009 L1013 L1027 P1029 I1032 N1069 L1070 Q1071 A1076 L1077	L962-L1073 HydrophobicContact CD2-CD1 3.81Å; V1009-L1073 HydrophobicContact CG1-CD2 4.43Å; L1013-L1073 HydrophobicContact CD2-CD2 3.68Å; L1027-L1073 HydrophobicContact CB-CB 4.18Å; L1027-L1073 HydrophobicContact CB-CD2 4.14Å; L1027-L1073 HydrophobicContact CD1-CD2 4.45Å; L1027-L1073 HydrophobicContact CD2-CD2 4.33Å; P1029-L1073 HydrophobicContact CG-CD1 4.49Å; I1032-L1073 HydrophobicContact CD1-CD1 3.73Å; I1032-L1073 HydrophobicContact CD1-CD2 4.03Å; N1069-L1073 PolarHBondContact O-N 3.25Å; L1070-L1073 PolarHBondContact O-N 3.47Å; L1070-L1073 VanDerWaalsContact O-N 3.09Å; Q1071-L1073 VanDerWaalsContact C-N 3.26Å; Q1071-L1073 PolarHBondContact O-N 2.84Å; L1073-A1076 PolarHBondContact O-N 3.34Å; L1073-L1077 HydrophobicContact CD1-CD1 4.05Å; L1073-L1077 HydrophobicContact CD1-CG 4.1Å; L1073-L1077 HydrophobicContact CG-CD1 4.04Å; L1073-L1077 HydrophobicContact CG-CG 4.47Å; L1073-L1077 WeakPolarHBondContact O-CB 3.41Å; L1073-L1077 VanDerWaalsContact O-CG 3.23Å; L1073-L1077 WeakPolarHBondContact O-CG 3.2Å; L1073-L1077 PolarHBondContact O-N 3.13Å
1074	L	88.8	Confident	76.7	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-66	-41.1	176.7	-65.3	175.4	0	0	0	111.6	L1010 L1070 Q1071 L1077 H1078 I1079 S1081 S1087	L1010-L1074 HydrophobicContact CD2-CD2 3.77Å; L1070-L1074 HydrophobicContact CD1-CD1 4.18Å; L1070-L1074 HydrophobicContact CD1-CG 4.11Å; L1070-L1074 HydrophobicContact CG-CD1 4.03Å; L1070-L1074 HydrophobicContact CG-CG 4.39Å; L1070-L1074 WeakPolarHBondContact O-CG 3.31Å; L1070-L1074 PolarHBondContact O-N 2.96Å; Q1071-L1074 CarbonylContact O-C 3.59Å; Q1071-L1074 PolarHBondContact O-N 3.45Å; L1074-L1077 CarbonylContact O-C 3.19Å; L1074-L1077 PolarHBondContact O-N 2.97Å; L1074-H1078 PolarHBondContact O-N 3.22Å; L1074-I1079 HydrophobicContact CB-CB 4.36Å; L1074-I1079 HydrophobicContact CD2-CB 4.3Å; L1074-I1079 HydrophobicContact CD2-CD1 4.18Å; L1074-I1079 HydrophobicContact CD2-CG2 4.3Å; L1074-I1079 PolarHBondContact O-N 3.08Å; L1074-S1081 WeakPolarHBondContact CD1-O 3.47Å; L1074-S1087 WeakPolarHBondContact CD1-OG 2.94Å; L1074-S1087 WeakPolarHBondContact CD2-OG 3.48Å
1075	D	86.7	Confident	78.7	Confident	89 Å²	89	61 Å²	61	48%	0.476	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-49.1	173.7	-62	-23.3	0	0	0	110.7	Q1071 L1077 H1078	Q1071-D1075 PolarHBondContact NE2-OD1 2.88Å; Q1071-D1075 WeakPolarHBondContact O-CB 3.38Å; Q1071-D1075 PolarHBondContact O-N 2.94Å; D1075-L1077 VanDerWaalsContact C-N 3.35Å; D1075-L1077 PolarHBondContact O-N 2.65Å; D1075-H1078 WeakPolarHBondContact O-CA 3.38Å; D1075-H1078 PolarHBondContact O-N 3.07Å
1076	A	86.1	Confident	80.4	Confident	30 Å²	30	62.5 Å²	62.5	25%	0.248	32%	0.324	C	S	.	.	H	α-helix	trans	-63.5	-38.3	176.3	0	0	0	0	0	112.6	P1029 C1072 L1073 H1078	P1029-A1076 HydrophobicContact CG-CB 3.81Å; C1072-A1076 WeakPolarHBondContact O-CB 3.35Å; C1072-A1076 PolarHBondContact O-N 3.03Å; C1072-A1076 VanDerWaalsContact O-N 3.14Å; L1073-A1076 PolarHBondContact O-N 3.34Å; A1076-H1078 PolarHBondContact O-N 3.49Å; A1076-H1078 PolarHBondContact O-ND1 3.15Å
1077	L	88.1	Confident	81.9	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-1.1	171.5	-68.2	175.8	0	0	0	113	L962 K1006 V1009 L1010 L1073 L1074 D1075 I1079	L962-L1077 HydrophobicContact CD1-CD2 4.2Å; L962-L1077 HydrophobicContact CD2-CD2 4.1Å; K1006-L1077 WeakPolarHBondContact CD-O 3.26Å; K1006-L1077 WeakPolarHBondContact CE-O 3.31Å; K1006-L1077 HydrophobicContact CG-CB 4.5Å; K1006-L1077 HydrophobicContact CG-CD2 4.26Å; K1006-L1077 PolarHBondContact NZ-O 3.06Å; V1009-L1077 HydrophobicContact CG1-CD1 4.28Å; L1010-L1077 HydrophobicContact CD2-CD1 4.27Å; L1010-L1077 HydrophobicContact CG-CD1 4.5Å; L1073-L1077 HydrophobicContact CD1-CD1 4.05Å; L1073-L1077 HydrophobicContact CD1-CG 4.1Å; L1073-L1077 HydrophobicContact CG-CD1 4.04Å; L1073-L1077 HydrophobicContact CG-CG 4.47Å; L1073-L1077 WeakPolarHBondContact O-CB 3.41Å; L1073-L1077 VanDerWaalsContact O-CG 3.23Å; L1073-L1077 WeakPolarHBondContact O-CG 3.2Å; L1073-L1077 PolarHBondContact O-N 3.13Å; L1074-L1077 CarbonylContact O-C 3.19Å; L1074-L1077 PolarHBondContact O-N 2.97Å; D1075-L1077 VanDerWaalsContact C-N 3.35Å; D1075-L1077 PolarHBondContact O-N 2.65Å; L1077-I1079 HydrophobicContact CB-CD1 3.81Å; L1077-I1079 HydrophobicContact CB-CG1 4.05Å; L1077-I1079 HydrophobicContact CD1-CD1 4.3Å
1078	H	86	Confident	83.4	Confident	124 Å²	124	52.7 Å²	52.7	57%	0.574	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	62.6	-174.8	-63.2	65.7	0	0	0	111.7	E970 K1006 L1074 D1075 A1076	E970-H1078 IonicContact OE1-CE1 2.9Å; E970-H1078 PolarHBondContact OE1-CE1 2.83Å; K1006-H1078 PolarHBondContact NZ-O 2.87Å; K1006-H1078 VanDerWaalsContact NZ-O 3.16Å; L1074-H1078 PolarHBondContact O-N 3.22Å; D1075-H1078 WeakPolarHBondContact O-CA 3.38Å; D1075-H1078 PolarHBondContact O-N 3.07Å; A1076-H1078 PolarHBondContact O-N 3.49Å; A1076-H1078 PolarHBondContact O-ND1 3.15Å
1079	I	86.4	Confident	84.6	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.026	27%	0.274	C	S	.	.			trans	-130.2	130.4	178.9	-58.9	174.6	0	0	0	108.3	K1006 L1010 L1074 L1077 S1081 V1091	K1006-I1079 HydrophobicContact CD-CD1 4.3Å; K1006-I1079 HydrophobicContact CD-CG1 4.33Å; L1010-I1079 HydrophobicContact CD1-CD1 3.81Å; L1074-I1079 HydrophobicContact CB-CB 4.36Å; L1074-I1079 HydrophobicContact CD2-CB 4.3Å; L1074-I1079 HydrophobicContact CD2-CD1 4.18Å; L1074-I1079 HydrophobicContact CD2-CG2 4.3Å; L1074-I1079 PolarHBondContact O-N 3.08Å; L1077-I1079 HydrophobicContact CB-CD1 3.81Å; L1077-I1079 HydrophobicContact CB-CG1 4.05Å; L1077-I1079 HydrophobicContact CD1-CD1 4.3Å; I1079-S1081 WeakPolarHBondContact CG2-OG 3.41Å; I1079-V1091 HydrophobicContact CD1-CG2 3.57Å; I1079-V1091 HydrophobicContact CG1-CG2 4.13Å
1080	Q	81.5	Confident	85.2	Confident	184 Å²	184	53.7 Å²	53.7	86%	0.86	28%	0.282	S	S	*	.			trans	-95.9	-5.9	-171.5	-67.1	-179.8	-17.1	0	0	114.2
1081	S	80.5	Confident	85.6	Confident	10 Å²	10	52.1 Å²	52.1	7%	0.07	27%	0.274	C	S	.	.			trans	-75.9	149	-176.9	-9.8	0	0	0	0	112.1	L1074 I1079 S1087 D1090	L1074-S1081 WeakPolarHBondContact CD1-O 3.47Å; I1079-S1081 WeakPolarHBondContact CG2-OG 3.41Å; S1081-S1087 WeakPolarHBondContact OG-CA 3.26Å; S1081-D1090 VanDerWaalsContact CB-OD2 3.32Å; S1081-D1090 WeakPolarHBondContact CB-OD2 3.42Å; S1081-D1090 PolarHBondContact OG-OD2 3.29Å
1082	H	74.3	Confident	86	Confident	162 Å²	162	50.2 Å²	50.2	75%	0.75	27%	0.265	S	S	*	.	S	Bend	trans	-96.4	-2.9	-176.1	-55.5	-47.7	0	0	0	114.8
1083	S	82.4	Confident	86.1	Confident	39 Å²	39	52.4 Å²	52.4	27%	0.273	27%	0.266	S	S	.	.	S	Bend	trans	-131.5	154.9	176.4	99.2	0	0	0	0	112.1	N1085 D1086 S1087	S1083-N1085 PolarHBondContact O-N 3.02Å; S1083-N1085 PolarHBondContact OG-N 3.46Å; S1083-D1086 VanDerWaalsContact CB-OD2 3.26Å; S1083-D1086 WeakPolarHBondContact CB-OD2 3.41Å; S1083-D1086 PolarHBondContact O-N 3.13Å; S1083-D1086 PolarHBondContact OG-N 3.26Å; S1083-D1086 PolarHBondContact OG-OD2 3.28Å; S1083-S1087 VanDerWaalsContact O-CB 3.3Å; S1083-S1087 WeakPolarHBondContact O-CB 3.47Å; S1083-S1087 PolarHBondContact O-N 2.96Å; S1083-S1087 PolarHBondContact O-OG 3.04Å
1084	M	85.1	Confident	86	Confident	24 Å²	24	55.4 Å²	55.4	12%	0.118	28%	0.28	C	S	.	.	H	α-helix	trans	-56.9	-39.4	176.3	-170.1	68	63.8	0	0	112.2	L1010 L1013 L1017 L1070 I1088	L1010-M1084 HydrophobicContact CB-SD 4.42Å; L1010-M1084 HydrophobicContact CD2-SD 3.89Å; L1013-M1084 HydrophobicContact CB-CE 4.48Å; L1013-M1084 HydrophobicContact CD2-CE 3.63Å; L1013-M1084 HydrophobicContact CD2-SD 4.44Å; L1013-M1084 HydrophobicContact CG-CE 3.75Å; L1013-M1084 HydrophobicContact CG-SD 4.5Å; L1017-M1084 HydrophobicContact CD1-CE 4.09Å; L1070-M1084 HydrophobicContact CD1-CE 3.44Å; L1070-M1084 VanDerWaalsContact CD1-CE 3.44Å; L1070-M1084 HydrophobicContact CD2-CE 4.03Å; L1070-M1084 HydrophobicContact CG-CE 4.42Å; M1084-I1088 HydrophobicContact CG-CD1 4.11Å; M1084-I1088 WeakPolarHBondContact O-CD1 3.36Å; M1084-I1088 VanDerWaalsContact O-CG1 3.29Å; M1084-I1088 WeakPolarHBondContact O-CG1 3.38Å; M1084-I1088 PolarHBondContact O-N 2.88Å
1085	N	86.2	Confident	86	Confident	89 Å²	89	55.4 Å²	55.4	48%	0.476	28%	0.28	S	S	.	.	H	α-helix	trans	-69.9	-45.3	-176.8	-65.1	-3.8	0	0	0	110.7	W921 S1083 I1088 N1089	W921-N1085 HydrophobicContact CH2-CB 4.32Å; W921-N1085 WeakPolarHBondContact CH2-OD1 3.39Å; W921-N1085 HydrophobicContact CZ2-CB 4.38Å; S1083-N1085 PolarHBondContact O-N 3.02Å; S1083-N1085 PolarHBondContact OG-N 3.46Å; N1085-I1088 PolarHBondContact O-N 3.45Å; N1085-N1089 WeakPolarHBondContact O-CB 3.46Å; N1085-N1089 PolarHBondContact O-N 2.98Å; N1085-N1089 PolarHBondContact O-ND2 3.18Å
1086	D	86	Confident	85.9	Confident	81 Å²	81	53.7 Å²	53.7	43%	0.433	27%	0.267	S	S	.	.	H	α-helix	trans	-68.1	-41.5	179.4	-52.4	-45.3	0	0	0	110	S1083 I1088 N1089 D1090	S1083-D1086 VanDerWaalsContact CB-OD2 3.26Å; S1083-D1086 WeakPolarHBondContact CB-OD2 3.41Å; S1083-D1086 PolarHBondContact O-N 3.13Å; S1083-D1086 PolarHBondContact OG-N 3.26Å; S1083-D1086 PolarHBondContact OG-OD2 3.28Å; D1086-I1088 VanDerWaalsContact C-N 3.34Å; D1086-I1088 PolarHBondContact O-N 2.88Å; D1086-N1089 CarbonylContact O-C 3.59Å; D1086-N1089 PolarHBondContact O-N 2.79Å; D1086-N1089 VanDerWaalsContact O-N 3.11Å; D1086-D1090 WeakPolarHBondContact O-CB 3.36Å; D1086-D1090 PolarHBondContact O-N 2.79Å
1087	S	88.7	Confident	85.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.2	-41.9	174.6	-60.4	0	0	0	0	112.9	L1074 S1081 S1083 V1091	L1074-S1087 WeakPolarHBondContact CD1-OG 2.94Å; L1074-S1087 WeakPolarHBondContact CD2-OG 3.48Å; S1081-S1087 WeakPolarHBondContact OG-CA 3.26Å; S1083-S1087 VanDerWaalsContact O-CB 3.3Å; S1083-S1087 WeakPolarHBondContact O-CB 3.47Å; S1083-S1087 PolarHBondContact O-N 2.96Å; S1083-S1087 PolarHBondContact O-OG 3.04Å; S1087-V1091 WeakPolarHBondContact O-CB 3.39Å; S1087-V1091 VanDerWaalsContact O-CG2 3.23Å; S1087-V1091 WeakPolarHBondContact O-CG2 3.37Å; S1087-V1091 PolarHBondContact O-N 2.89Å
1088	I	90.1	Very high	85.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-68.1	-42.3	175.6	-68.8	164	0	0	0	110.3	W921 L1007 L1010 L1011 M1084 N1085 D1086 V1091 L1092	W921-I1088 HydrophobicContact CD2-CD1 4.48Å; W921-I1088 HydrophobicContact CD2-CG2 3.96Å; W921-I1088 VanDerWaalsContact CE2-CG2 3.43Å; W921-I1088 HydrophobicContact CE3-CD1 4.15Å; W921-I1088 HydrophobicContact CG-CG2 4.3Å; W921-I1088 HydrophobicContact CH2-CB 4.27Å; W921-I1088 HydrophobicContact CH2-CD1 3.46Å; W921-I1088 VanDerWaalsContact CH2-CD1 3.46Å; W921-I1088 HydrophobicContact CH2-CG1 4.43Å; W921-I1088 HydrophobicContact CH2-CG2 4.47Å; W921-I1088 HydrophobicContact CZ2-CB 3.73Å; W921-I1088 HydrophobicContact CZ2-CD1 3.82Å; W921-I1088 HydrophobicContact CZ2-CG1 4.37Å; W921-I1088 HydrophobicContact CZ2-CG2 3.73Å; W921-I1088 HydrophobicContact CZ3-CD1 3.63Å; L1007-I1088 HydrophobicContact CD1-CG2 4.08Å; L1010-I1088 HydrophobicContact CB-CD1 4.04Å; L1010-I1088 HydrophobicContact CB-CG1 3.49Å; L1010-I1088 VanDerWaalsContact CB-CG1 3.49Å; L1010-I1088 HydrophobicContact CD1-CG1 4Å; L1010-I1088 HydrophobicContact CG-CG1 4.35Å; L1011-I1088 HydrophobicContact CD2-CD1 4.36Å; L1011-I1088 HydrophobicContact CD2-CG2 4.22Å; M1084-I1088 HydrophobicContact CG-CD1 4.11Å; M1084-I1088 WeakPolarHBondContact O-CD1 3.36Å; M1084-I1088 VanDerWaalsContact O-CG1 3.29Å; M1084-I1088 WeakPolarHBondContact O-CG1 3.38Å; M1084-I1088 PolarHBondContact O-N 2.88Å; N1085-I1088 PolarHBondContact O-N 3.45Å; D1086-I1088 VanDerWaalsContact C-N 3.34Å; D1086-I1088 PolarHBondContact O-N 2.88Å; I1088-V1091 PolarHBondContact O-N 2.72Å; I1088-L1092 HydrophobicContact CG2-CD1 3.96Å; I1088-L1092 HydrophobicContact CG2-CG 4.34Å; I1088-L1092 WeakPolarHBondContact O-CB 3.36Å; I1088-L1092 WeakPolarHBondContact O-CG 3.43Å; I1088-L1092 PolarHBondContact O-N 3.22Å
1089	N	88.7	Confident	85	Confident	56 Å²	56	51.7 Å²	51.7	30%	0.299	25%	0.254	S	S	.	.	H	α-helix	trans	-68.7	-38.5	-179.4	-68.9	-18.2	0	0	0	112.6	W921 N1085 D1086 L1092 K1093	W921-N1089 PolarHBondContact NE1-OD1 3.41Å; W921-N1089 VanDerWaalsContact NE1-OD1 3.17Å; N1085-N1089 WeakPolarHBondContact O-CB 3.46Å; N1085-N1089 PolarHBondContact O-N 2.98Å; N1085-N1089 PolarHBondContact O-ND2 3.18Å; D1086-N1089 CarbonylContact O-C 3.59Å; D1086-N1089 PolarHBondContact O-N 2.79Å; D1086-N1089 VanDerWaalsContact O-N 3.11Å; N1089-L1092 WeakPolarHBondContact O-CB 3.34Å; N1089-L1092 PolarHBondContact O-N 3.31Å; N1089-K1093 WeakPolarHBondContact O-CB 3.41Å; N1089-K1093 PolarHBondContact O-N 3.24Å
1090	D	88.1	Confident	84.5	Confident	65 Å²	65	56.6 Å²	56.6	35%	0.348	28%	0.277	S	S	.	.	H	α-helix	trans	-65.9	-41.4	173.7	-75.2	-27.4	0	0	0	111.6	S1081 D1086 K1093 Q1094	S1081-D1090 VanDerWaalsContact CB-OD2 3.32Å; S1081-D1090 WeakPolarHBondContact CB-OD2 3.42Å; S1081-D1090 PolarHBondContact OG-OD2 3.29Å; D1086-D1090 WeakPolarHBondContact O-CB 3.36Å; D1086-D1090 PolarHBondContact O-N 2.79Å; D1090-K1093 WeakPolarHBondContact O-CB 3.04Å; D1090-K1093 PolarHBondContact O-N 3.37Å; D1090-Q1094 VanDerWaalsContact O-CG 3.31Å; D1090-Q1094 WeakPolarHBondContact O-CG 3.41Å; D1090-Q1094 PolarHBondContact O-N 3.34Å
1091	V	90.8	Very high	83.9	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-37.9	173.6	168.5	0	0	0	0	111.3	T1003 K1006 L1007 L1010 I1079 S1087 I1088 K1093 F1095	T1003-V1091 HydrophobicContact CG2-CG1 3.92Å; K1006-V1091 HydrophobicContact CB-CG1 4.05Å; K1006-V1091 HydrophobicContact CB-CG2 4.21Å; K1006-V1091 HydrophobicContact CD-CG2 4.3Å; L1007-V1091 HydrophobicContact CB-CG1 3.78Å; L1007-V1091 HydrophobicContact CD1-CG1 4.29Å; L1010-V1091 HydrophobicContact CD1-CG2 4.08Å; I1079-V1091 HydrophobicContact CD1-CG2 3.57Å; I1079-V1091 HydrophobicContact CG1-CG2 4.13Å; S1087-V1091 WeakPolarHBondContact O-CB 3.39Å; S1087-V1091 VanDerWaalsContact O-CG2 3.23Å; S1087-V1091 WeakPolarHBondContact O-CG2 3.37Å; S1087-V1091 PolarHBondContact O-N 2.89Å; I1088-V1091 PolarHBondContact O-N 2.72Å; V1091-K1093 VanDerWaalsContact C-N 3.33Å; V1091-K1093 PolarHBondContact O-N 3.34Å; V1091-F1095 WeakPolarHBondContact O-CB 3.22Å; V1091-F1095 PolarHBondContact O-N 2.55Å
1092	L	89.7	Confident	83.2	Confident	19 Å²	19	54.8 Å²	54.8	10%	0.099	27%	0.267	C	S	.	.	H	α-helix	trans	-63.3	-37.3	172.3	-73.6	170.2	0	0	0	112	L918 L922 L1007 I1088 N1089 Y1096 I1129	L918-L1092 HydrophobicContact CD1-CD2 3.97Å; L922-L1092 HydrophobicContact CD2-CD1 4.36Å; L1007-L1092 HydrophobicContact CD1-CD2 3.79Å; L1007-L1092 HydrophobicContact CD1-CG 3.97Å; L1007-L1092 HydrophobicContact CD2-CD2 3.82Å; L1007-L1092 HydrophobicContact CG-CD2 4.49Å; I1088-L1092 HydrophobicContact CG2-CD1 3.96Å; I1088-L1092 HydrophobicContact CG2-CG 4.34Å; I1088-L1092 WeakPolarHBondContact O-CB 3.36Å; I1088-L1092 WeakPolarHBondContact O-CG 3.43Å; I1088-L1092 PolarHBondContact O-N 3.22Å; N1089-L1092 WeakPolarHBondContact O-CB 3.34Å; N1089-L1092 PolarHBondContact O-N 3.31Å; L1092-Y1096 PolarHBondContact O-N 2.99Å; L1092-I1129 HydrophobicContact CD2-CD1 3.36Å; L1092-I1129 HydrophobicContact CD2-CG1 4.01Å
1093	K	86.7	Confident	82.7	Confident	121 Å²	121	47.7 Å²	47.7	53%	0.526	23%	0.234	S	C	.	.	H	α-helix	trans	-67.3	-52.5	175.2	-176.6	177.2	178.3	-72.2	0	111.7	N1089 D1090 V1091 F1095 Y1096 E1097	N1089-K1093 WeakPolarHBondContact O-CB 3.41Å; N1089-K1093 PolarHBondContact O-N 3.24Å; D1090-K1093 WeakPolarHBondContact O-CB 3.04Å; D1090-K1093 PolarHBondContact O-N 3.37Å; V1091-K1093 VanDerWaalsContact C-N 3.33Å; V1091-K1093 PolarHBondContact O-N 3.34Å; K1093-F1095 PolarHBondContact O-N 2.9Å; K1093-Y1096 PolarHBondContact O-N 2.8Å; K1093-E1097 WeakPolarHBondContact CE-OE1 3.21Å; K1093-E1097 IonicContact NZ-OE1 2.69Å; K1093-E1097 PolarHBondContact NZ-OE1 2.94Å; K1093-E1097 IonicContact NZ-OE2 2.64Å; K1093-E1097 WeakPolarHBondContact O-CG 3.49Å; K1093-E1097 PolarHBondContact O-N 3.2Å
1094	Q	85.9	Confident	81.5	Confident	64 Å²	64	53 Å²	53	30%	0.299	25%	0.254	S	S	.	.	H	α-helix	trans	-54	-43.4	174.3	-71.7	168.2	35.2	0	0	111.3	T1003 D1090 Y1096 E1097 I1098	T1003-Q1094 HydrophobicContact CG2-CB 4.48Å; D1090-Q1094 VanDerWaalsContact O-CG 3.31Å; D1090-Q1094 WeakPolarHBondContact O-CG 3.41Å; D1090-Q1094 PolarHBondContact O-N 3.34Å; Q1094-Y1096 VanDerWaalsContact C-N 3.34Å; Q1094-Y1096 PolarHBondContact O-N 3.43Å; Q1094-E1097 PolarHBondContact O-N 3.35Å; Q1094-I1098 WeakPolarHBondContact O-CD1 3.43Å; Q1094-I1098 VanDerWaalsContact O-CG1 3.27Å; Q1094-I1098 WeakPolarHBondContact O-CG1 3.38Å; Q1094-I1098 PolarHBondContact O-N 2.77Å
1095	F	87.9	Confident	80.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-39.2	178.1	-168.1	-119.6	0	0	0	112.6	L1000 T1003 C1004 V1091 K1093 I1099 C1125 V1126 I1129	L1000-F1095 HydrophobicContact CD1-CD2 4.05Å; L1000-F1095 HydrophobicContact CD1-CE2 3.42Å; L1000-F1095 VanDerWaalsContact CD1-CE2 3.42Å; L1000-F1095 HydrophobicContact CD1-CZ 4.11Å; L1000-F1095 HydrophobicContact CG-CE2 4.05Å; T1003-F1095 HydrophobicContact CG2-CB 3.69Å; T1003-F1095 HydrophobicContact CG2-CD2 3.82Å; T1003-F1095 HydrophobicContact CG2-CG 4.19Å; C1004-F1095 WeakPolarHBondContact SG-CE2 3.46Å; C1004-F1095 WeakPolarHBondContact SG-CZ 3.46Å; V1091-F1095 WeakPolarHBondContact O-CB 3.22Å; V1091-F1095 PolarHBondContact O-N 2.55Å; K1093-F1095 PolarHBondContact O-N 2.9Å; F1095-I1099 HydrophobicContact CD1-CD1 3.57Å; F1095-I1099 HydrophobicContact CE1-CD1 3.49Å; F1095-I1099 VanDerWaalsContact CE1-CD1 3.49Å; F1095-I1099 HydrophobicContact CE1-CG1 4.5Å; F1095-I1099 HydrophobicContact CG-CD1 4.24Å; F1095-I1099 HydrophobicContact CZ-CD1 4.04Å; F1095-I1099 WeakPolarHBondContact O-CB 3.23Å; F1095-I1099 WeakPolarHBondContact O-CD1 3.32Å; F1095-I1099 VanDerWaalsContact O-CG1 3.22Å; F1095-I1099 WeakPolarHBondContact O-CG1 3.39Å; F1095-I1099 PolarHBondContact O-N 2.99Å; F1095-C1125 HydrophobicContact CE1-CB 4.3Å; F1095-C1125 HydrophobicContact CZ-CB 4.44Å; F1095-V1126 HydrophobicContact CE1-CG2 4.18Å; F1095-V1126 HydrophobicContact CZ-CG2 3.62Å; F1095-I1129 HydrophobicContact CD1-CB 4.33Å; F1095-I1129 HydrophobicContact CD1-CD1 3.47Å; F1095-I1129 VanDerWaalsContact CD1-CD1 3.47Å; F1095-I1129 HydrophobicContact CD1-CG1 4.48Å; F1095-I1129 HydrophobicContact CD1-CG2 4.25Å; F1095-I1129 HydrophobicContact CE1-CD1 3.74Å
1096	Y	84.4	Confident	79.2	Confident	53 Å²	53	55 Å²	55	21%	0.208	26%	0.262	C	S	.	.	H	α-helix	trans	-69.4	-38	176	-176.2	-124.5	0	0	0	112.8	L1092 K1093 Q1094 I1099 Q1100 I1129 N1133	L1092-Y1096 PolarHBondContact O-N 2.99Å; K1093-Y1096 PolarHBondContact O-N 2.8Å; Q1094-Y1096 VanDerWaalsContact C-N 3.34Å; Q1094-Y1096 PolarHBondContact O-N 3.43Å; Y1096-I1099 HydrophobicContact CD2-CG2 4.25Å; Y1096-I1099 WeakPolarHBondContact O-CB 3.3Å; Y1096-I1099 PolarHBondContact O-N 2.88Å; Y1096-Q1100 HydrophobicContact CD2-CG 4.42Å; Y1096-Q1100 HydrophobicContact CE1-CG 4.22Å; Y1096-Q1100 VanDerWaalsContact CE1-NE2 3.26Å; Y1096-Q1100 HydrophobicContact CE2-CG 4.12Å; Y1096-Q1100 VanDerWaalsContact CZ-NE2 3.28Å; Y1096-Q1100 WeakPolarHBondContact O-CG 3.39Å; Y1096-Q1100 PolarHBondContact O-N 2.88Å; Y1096-Q1100 PolarHBondContact OH-NE2 3.33Å; Y1096-I1129 HydrophobicContact CD2-CG2 4.44Å; Y1096-N1133 WeakPolarHBondContact CB-ND2 3.47Å; Y1096-N1133 HydrophobicContact CD1-CB 4.47Å; Y1096-N1133 VanDerWaalsContact CD1-ND2 3.27Å; Y1096-N1133 WeakPolarHBondContact CD1-ND2 3.45Å; Y1096-N1133 HydrophobicContact CD2-CB 4.19Å; Y1096-N1133 WeakPolarHBondContact CD2-ND2 3.46Å; Y1096-N1133 HydrophobicContact CE1-CB 4Å; Y1096-N1133 HydrophobicContact CE2-CB 3.71Å
1097	E	83	Confident	78.1	Confident	73 Å²	73	54.5 Å²	54.5	34%	0.341	26%	0.257	S	S	.	.	H	α-helix	trans	-62.7	-48.9	174.8	-70.5	165.4	168.6	0	0	110.8	K1093 Q1094 I1099 Q1100 H1101	K1093-E1097 WeakPolarHBondContact CE-OE1 3.21Å; K1093-E1097 IonicContact NZ-OE1 2.69Å; K1093-E1097 PolarHBondContact NZ-OE1 2.94Å; K1093-E1097 IonicContact NZ-OE2 2.64Å; K1093-E1097 WeakPolarHBondContact O-CG 3.49Å; K1093-E1097 PolarHBondContact O-N 3.2Å; Q1094-E1097 PolarHBondContact O-N 3.35Å; E1097-I1099 VanDerWaalsContact C-N 3.26Å; E1097-I1099 PolarHBondContact O-N 3.2Å; E1097-Q1100 PolarHBondContact O-N 3.22Å; E1097-Q1100 VanDerWaalsContact O-N 3.14Å; E1097-H1101 PolarHBondContact O-CD2 3.14Å; E1097-H1101 PolarHBondContact O-N 3.45Å
1098	I	80.5	Confident	76.9	Confident	34 Å²	34	54.7 Å²	54.7	17%	0.174	26%	0.258	C	S	.	.	H	α-helix	trans	-57.6	-40.3	172.8	-65.1	164.1	0	0	0	110.9	D999 L1000 T1003 Q1094 N1102	D999-I1098 HydrophobicContact CB-CD1 4.24Å; L1000-I1098 HydrophobicContact CB-CG2 4.04Å; L1000-I1098 HydrophobicContact CD1-CG2 3.82Å; T1003-I1098 WeakPolarHBondContact OG1-CD1 3.29Å; Q1094-I1098 WeakPolarHBondContact O-CD1 3.43Å; Q1094-I1098 VanDerWaalsContact O-CG1 3.27Å; Q1094-I1098 WeakPolarHBondContact O-CG1 3.38Å; Q1094-I1098 PolarHBondContact O-N 2.77Å; I1098-N1102 WeakPolarHBondContact CG2-ND2 3.36Å; I1098-N1102 WeakPolarHBondContact O-CB 3.48Å; I1098-N1102 PolarHBondContact O-N 2.79Å; I1098-N1102 PolarHBondContact O-ND2 2.88Å
1099	I	77.9	Confident	75.8	Confident	6 Å²	6	56 Å²	56	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-61.1	-47.6	175.3	-83.7	166.5	0	0	0	111.7	L1000 F1095 Y1096 E1097 H1101 N1102 Y1103 V1126 I1129 C1130	L1000-I1099 HydrophobicContact CD1-CG1 4.33Å; F1095-I1099 HydrophobicContact CD1-CD1 3.57Å; F1095-I1099 HydrophobicContact CE1-CD1 3.49Å; F1095-I1099 VanDerWaalsContact CE1-CD1 3.49Å; F1095-I1099 HydrophobicContact CE1-CG1 4.5Å; F1095-I1099 HydrophobicContact CG-CD1 4.24Å; F1095-I1099 HydrophobicContact CZ-CD1 4.04Å; F1095-I1099 WeakPolarHBondContact O-CB 3.23Å; F1095-I1099 WeakPolarHBondContact O-CD1 3.32Å; F1095-I1099 VanDerWaalsContact O-CG1 3.22Å; F1095-I1099 WeakPolarHBondContact O-CG1 3.39Å; F1095-I1099 PolarHBondContact O-N 2.99Å; Y1096-I1099 HydrophobicContact CD2-CG2 4.25Å; Y1096-I1099 WeakPolarHBondContact O-CB 3.3Å; Y1096-I1099 PolarHBondContact O-N 2.88Å; E1097-I1099 VanDerWaalsContact C-N 3.26Å; E1097-I1099 PolarHBondContact O-N 3.2Å; I1099-H1101 VanDerWaalsContact C-N 3.35Å; I1099-H1101 PolarHBondContact O-N 3.16Å; I1099-N1102 PolarHBondContact O-N 2.8Å; I1099-Y1103 HydrophobicContact CB-CD2 4.01Å; I1099-Y1103 HydrophobicContact CB-CE2 4.43Å; I1099-Y1103 HydrophobicContact CG1-CD2 3.89Å; I1099-Y1103 HydrophobicContact CG1-CE2 3.83Å; I1099-Y1103 HydrophobicContact CG2-CD2 4Å; I1099-Y1103 WeakPolarHBondContact O-CB 3.32Å; I1099-Y1103 WeakPolarHBondContact O-CD2 3.47Å; I1099-Y1103 PolarHBondContact O-N 2.95Å; I1099-V1126 HydrophobicContact CD1-CB 4.33Å; I1099-V1126 HydrophobicContact CD1-CG1 4.09Å; I1099-V1126 HydrophobicContact CD1-CG2 4.28Å; I1099-V1126 HydrophobicContact CG1-CG1 4.24Å; I1099-V1126 HydrophobicContact CG1-CG2 4.47Å; I1099-I1129 HydrophobicContact CD1-CG2 4.48Å; I1099-C1130 WeakPolarHBondContact CG2-SG 3.32Å
1100	Q	75.7	Confident	74.8	Confident	108 Å²	108	56.6 Å²	56.6	51%	0.505	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-40.8	-176.8	-77.4	-173.9	-31.2	0	0	112.1	Y1096 E1097	Y1096-Q1100 HydrophobicContact CD2-CG 4.42Å; Y1096-Q1100 HydrophobicContact CE1-CG 4.22Å; Y1096-Q1100 VanDerWaalsContact CE1-NE2 3.26Å; Y1096-Q1100 HydrophobicContact CE2-CG 4.12Å; Y1096-Q1100 VanDerWaalsContact CZ-NE2 3.28Å; Y1096-Q1100 WeakPolarHBondContact O-CG 3.39Å; Y1096-Q1100 PolarHBondContact O-N 2.88Å; Y1096-Q1100 PolarHBondContact OH-NE2 3.33Å; E1097-Q1100 PolarHBondContact O-N 3.22Å; E1097-Q1100 VanDerWaalsContact O-N 3.14Å
1101	H	68.9	Low	73.8	Confident	151 Å²	151	53.6 Å²	53.6	70%	0.699	25%	0.251	S	S	*	.	H	α-helix	trans	-68.5	-34	176.4	-66.6	-59.7	0	0	0	113.3	E1097 I1099	E1097-H1101 PolarHBondContact O-CD2 3.14Å; E1097-H1101 PolarHBondContact O-N 3.45Å; I1099-H1101 VanDerWaalsContact C-N 3.35Å; I1099-H1101 PolarHBondContact O-N 3.16Å
1102	N	65.7	Low	72.7	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.032	25%	0.253	C	S	.	.	H	α-helix	trans	-88.9	-31.2	-170.7	-68.1	-9.4	0	0	0	114.3	Q996 I1098 I1099	Q996-N1102 VanDerWaalsContact CD-OD1 3.24Å; Q996-N1102 PolarHBondContact OE1-OD1 3.02Å; Q996-N1102 VanDerWaalsContact OE1-OD1 3.11Å; I1098-N1102 WeakPolarHBondContact CG2-ND2 3.36Å; I1098-N1102 WeakPolarHBondContact O-CB 3.48Å; I1098-N1102 PolarHBondContact O-N 2.79Å; I1098-N1102 PolarHBondContact O-ND2 2.88Å; I1099-N1102 PolarHBondContact O-N 2.8Å
1103	Y	64	Low	71.7	Confident	13 Å²	13	56.5 Å²	56.5	5%	0.051	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	57.4	-158.3	-68.9	-57.7	0	0	0	116.2	L809 L1000 I1099 M1108 V1126	L809-Y1103 HydrophobicContact CD2-CE1 4.06Å; L1000-Y1103 HydrophobicContact CD1-CE2 4.33Å; L1000-Y1103 VanDerWaalsContact CD2-OH 3.25Å; L1000-Y1103 WeakPolarHBondContact CD2-OH 3.07Å; I1099-Y1103 HydrophobicContact CB-CD2 4.01Å; I1099-Y1103 HydrophobicContact CB-CE2 4.43Å; I1099-Y1103 HydrophobicContact CG1-CD2 3.89Å; I1099-Y1103 HydrophobicContact CG1-CE2 3.83Å; I1099-Y1103 HydrophobicContact CG2-CD2 4Å; I1099-Y1103 WeakPolarHBondContact O-CB 3.32Å; I1099-Y1103 WeakPolarHBondContact O-CD2 3.47Å; I1099-Y1103 PolarHBondContact O-N 2.95Å; Y1103-M1108 HydrophobicContact CD1-CB 3.95Å; Y1103-M1108 HydrophobicContact CD1-CE 3.5Å; Y1103-M1108 VanDerWaalsContact CD1-CE 3.5Å; Y1103-M1108 HydrophobicContact CD1-CG 3.41Å; Y1103-M1108 VanDerWaalsContact CD1-CG 3.41Å; Y1103-M1108 HydrophobicContact CD1-SD 3.37Å; Y1103-M1108 WeakPolarHBondContact CD1-SD 3.23Å; Y1103-M1108 HydrophobicContact CD2-CE 4.09Å; Y1103-M1108 HydrophobicContact CE1-CB 4.42Å; Y1103-M1108 HydrophobicContact CE1-CE 3.88Å; Y1103-M1108 HydrophobicContact CE1-CG 3.74Å; Y1103-M1108 HydrophobicContact CE1-SD 4.15Å; Y1103-M1108 HydrophobicContact CE2-CE 4.45Å; Y1103-M1108 HydrophobicContact CG-CE 3.59Å; Y1103-M1108 HydrophobicContact CG-CG 4.34Å; Y1103-M1108 HydrophobicContact CG-SD 3.71Å; Y1103-V1126 HydrophobicContact CD2-CG1 4.23Å; Y1103-V1126 HydrophobicContact CE2-CG1 3.78Å; Y1103-V1126 HydrophobicContact CE2-CG2 4.25Å
1104	Q	57.8	Low	70.8	Confident	150 Å²	150	55.6 Å²	55.6	70%	0.701	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-7.6	161.5	-66	-161.6	-23.6	0	0	114	E825	E825-Q1104 PolarHBondContact OE1-NE2 3.23Å
1105	S	60.1	Low	69.9	Low	30 Å²	30	52.6 Å²	52.6	21%	0.21	25%	0.249	C	C	.	.	S	Bend	trans	-89.5	157.7	-162.5	102.9	0	0	0	0	115.7	E1107 M1108	S1105-E1107 VanDerWaalsContact C-N 3.32Å; S1105-E1107 WeakPolarHBondContact CB-OE2 3.45Å; S1105-E1107 PolarHBondContact OG-N 2.81Å; S1105-E1107 PolarHBondContact OG-OE2 3.28Å; S1105-M1108 WeakPolarHBondContact O-CB 3.29Å; S1105-M1108 PolarHBondContact O-N 3.09Å
1106	K	62.6	Low	68.8	Low	124 Å²	124	54.1 Å²	54.1	54%	0.539	26%	0.257	S	S	.	.	H	α-helix	trans	-70.3	-29.4	177.4	-179.5	-171.2	165.4	-153.5	0	112	M1108 I1109	K1106-M1108 PolarHBondContact O-N 3.41Å; K1106-I1109 PolarHBondContact O-N 2.79Å
1107	E	63.2	Low	67.6	Low	72 Å²	72	53.7 Å²	53.7	34%	0.336	26%	0.264	S	S	.	.	H	α-helix	trans	-61.4	-37.3	177.9	-60.9	61.9	-118.9	0	0	109.7	S1105 I1109 I1110 S1111	S1105-E1107 VanDerWaalsContact C-N 3.32Å; S1105-E1107 WeakPolarHBondContact CB-OE2 3.45Å; S1105-E1107 PolarHBondContact OG-N 2.81Å; S1105-E1107 PolarHBondContact OG-OE2 3.28Å; E1107-I1109 VanDerWaalsContact C-N 3.28Å; E1107-I1109 PolarHBondContact O-N 2.76Å; E1107-I1110 CarbonylContact O-C 3.6Å; E1107-I1110 WeakPolarHBondContact O-CA 3.35Å; E1107-I1110 WeakPolarHBondContact O-CB 3.38Å; E1107-I1110 PolarHBondContact O-N 2.9Å; E1107-S1111 PolarHBondContact O-N 3.2Å; E1107-S1111 PolarHBondContact O-OG 2.8Å
1108	M	64.2	Low	66.6	Low	3 Å²	3	51.1 Å²	51.1	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-52.2	-45.1	174.9	-172.7	-162.7	-168	0	0	112.2	L832 L836 Y1103 S1105 K1106 I1110 S1111 L1112 V1126	L832-M1108 HydrophobicContact CD1-CE 4.18Å; L832-M1108 HydrophobicContact CD1-SD 3.47Å; L832-M1108 WeakPolarHBondContact CD1-SD 3.42Å; L832-M1108 HydrophobicContact CD2-SD 4.13Å; L832-M1108 HydrophobicContact CG-SD 4.45Å; L836-M1108 HydrophobicContact CD2-CE 4.03Å; Y1103-M1108 HydrophobicContact CD1-CB 3.95Å; Y1103-M1108 HydrophobicContact CD1-CE 3.5Å; Y1103-M1108 VanDerWaalsContact CD1-CE 3.5Å; Y1103-M1108 HydrophobicContact CD1-CG 3.41Å; Y1103-M1108 VanDerWaalsContact CD1-CG 3.41Å; Y1103-M1108 HydrophobicContact CD1-SD 3.37Å; Y1103-M1108 WeakPolarHBondContact CD1-SD 3.23Å; Y1103-M1108 HydrophobicContact CD2-CE 4.09Å; Y1103-M1108 HydrophobicContact CE1-CB 4.42Å; Y1103-M1108 HydrophobicContact CE1-CE 3.88Å; Y1103-M1108 HydrophobicContact CE1-CG 3.74Å; Y1103-M1108 HydrophobicContact CE1-SD 4.15Å; Y1103-M1108 HydrophobicContact CE2-CE 4.45Å; Y1103-M1108 HydrophobicContact CG-CE 3.59Å; Y1103-M1108 HydrophobicContact CG-CG 4.34Å; Y1103-M1108 HydrophobicContact CG-SD 3.71Å; S1105-M1108 WeakPolarHBondContact O-CB 3.29Å; S1105-M1108 PolarHBondContact O-N 3.09Å; K1106-M1108 PolarHBondContact O-N 3.41Å; M1108-I1110 PolarHBondContact O-N 3.37Å; M1108-S1111 CarbonylContact O-C 3.59Å; M1108-S1111 WeakPolarHBondContact O-CB 3.49Å; M1108-S1111 PolarHBondContact O-N 2.94Å; M1108-S1111 VanDerWaalsContact O-N 3.11Å; M1108-L1112 HydrophobicContact CE-CD1 4.29Å; M1108-L1112 HydrophobicContact CE-CD2 4.49Å; M1108-L1112 HydrophobicContact CG-CD1 4.14Å; M1108-L1112 HydrophobicContact CG-CG 4.23Å; M1108-L1112 WeakPolarHBondContact O-CB 3.22Å; M1108-L1112 VanDerWaalsContact O-CG 3.25Å; M1108-L1112 WeakPolarHBondContact O-CG 3.45Å; M1108-L1112 PolarHBondContact O-N 2.74Å; M1108-L1112 HydrophobicContact SD-CD1 4.33Å; M1108-V1126 HydrophobicContact CE-CG1 3.9Å
1109	I	65.4	Low	65.9	Low	29 Å²	29	50.2 Å²	50.2	15%	0.149	25%	0.25	C	C	.	.	H	α-helix	trans	-64.1	-32.7	179.5	-60.6	176	0	0	0	110.7	K1106 E1107 L1113	K1106-I1109 PolarHBondContact O-N 2.79Å; E1107-I1109 VanDerWaalsContact C-N 3.28Å; E1107-I1109 PolarHBondContact O-N 2.76Å; I1109-L1113 HydrophobicContact CG2-CD1 4.24Å; I1109-L1113 WeakPolarHBondContact O-CB 3.45Å; I1109-L1113 WeakPolarHBondContact O-CD1 3.33Å; I1109-L1113 WeakPolarHBondContact O-CG 3.12Å; I1109-L1113 PolarHBondContact O-N 3.09Å; I1109-L1113 VanDerWaalsContact O-N 3.11Å
1110	I	68.1	Low	65.8	Low	67 Å²	67	50 Å²	50	34%	0.344	25%	0.249	S	C	.	.	H	α-helix	trans	-72.4	-39.6	174.3	-58.5	172.2	0	0	0	110.6	E1107 M1108 L1113 K1114	E1107-I1110 CarbonylContact O-C 3.6Å; E1107-I1110 WeakPolarHBondContact O-CA 3.35Å; E1107-I1110 WeakPolarHBondContact O-CB 3.38Å; E1107-I1110 PolarHBondContact O-N 2.9Å; M1108-I1110 PolarHBondContact O-N 3.37Å; I1110-L1113 PolarHBondContact O-N 3.23Å; I1110-K1114 HydrophobicContact CG2-CD 4.46Å; I1110-K1114 WeakPolarHBondContact O-CG 3.39Å; I1110-K1114 PolarHBondContact O-N 3.13Å
1111	S	66.7	Low	66	Low	2 Å²	2	44.9 Å²	44.9	1%	0.014	23%	0.225	C	C	.	.	H	α-helix	trans	-61.1	-50.6	173.1	-48	0	0	0	0	111.6	C808 E1107 M1108 L1113 K1114 S1115	C808-S1111 WeakPolarHBondContact CB-OG 3.32Å; E1107-S1111 PolarHBondContact O-N 3.2Å; E1107-S1111 PolarHBondContact O-OG 2.8Å; M1108-S1111 CarbonylContact O-C 3.59Å; M1108-S1111 WeakPolarHBondContact O-CB 3.49Å; M1108-S1111 PolarHBondContact O-N 2.94Å; M1108-S1111 VanDerWaalsContact O-N 3.11Å; S1111-L1113 VanDerWaalsContact C-N 3.28Å; S1111-L1113 PolarHBondContact O-N 2.96Å; S1111-K1114 WeakPolarHBondContact O-CB 3.34Å; S1111-K1114 PolarHBondContact O-N 2.96Å; S1111-K1114 VanDerWaalsContact O-N 3.11Å; S1111-S1115 WeakPolarHBondContact O-CB 3.37Å; S1111-S1115 PolarHBondContact O-N 3.3Å; S1111-S1115 PolarHBondContact O-OG 3.31Å; S1111-S1115 VanDerWaalsContact O-OG 3.08Å
1112	L	68.9	Low	66.7	Low	6 Å²	6	37.7 Å²	37.7	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-53	-46.6	174.9	-70.5	170.4	0	0	0	110.9	L832 L836 Y839 M1108 S1115 I1116 T1123	L832-L1112 HydrophobicContact CD1-CD1 4.23Å; L836-L1112 HydrophobicContact CD2-CD1 3.55Å; L836-L1112 HydrophobicContact CD2-CD2 3.61Å; L836-L1112 HydrophobicContact CD2-CG 4.26Å; L836-L1112 HydrophobicContact CG-CD1 4.32Å; Y839-L1112 HydrophobicContact CD1-CD2 4.47Å; Y839-L1112 HydrophobicContact CD2-CB 4.41Å; Y839-L1112 WeakPolarHBondContact CD2-O 3.5Å; Y839-L1112 WeakPolarHBondContact CE2-O 3.47Å; Y839-L1112 HydrophobicContact CG-CD2 4.38Å; M1108-L1112 HydrophobicContact CE-CD1 4.29Å; M1108-L1112 HydrophobicContact CE-CD2 4.49Å; M1108-L1112 HydrophobicContact CG-CD1 4.14Å; M1108-L1112 HydrophobicContact CG-CG 4.23Å; M1108-L1112 WeakPolarHBondContact O-CB 3.22Å; M1108-L1112 VanDerWaalsContact O-CG 3.25Å; M1108-L1112 WeakPolarHBondContact O-CG 3.45Å; M1108-L1112 PolarHBondContact O-N 2.74Å; M1108-L1112 HydrophobicContact SD-CD1 4.33Å; L1112-S1115 PolarHBondContact O-N 3.3Å; L1112-I1116 WeakPolarHBondContact O-CG1 3.26Å; L1112-I1116 PolarHBondContact O-N 2.85Å; L1112-T1123 HydrophobicContact CD2-CG2 3.53Å
1113	L	67.3	Low	67.3	Low	75 Å²	75	37.4 Å²	37.4	39%	0.393	19%	0.19	S	C	.	.	H	α-helix	trans	-66.3	-37.8	178	-74	168.2	0	0	0	113.2	F291 I1109 I1110 S1111 S1115 I1116	F291-L1113 HydrophobicContact CE2-CD2 4.44Å; F291-L1113 HydrophobicContact CZ-CD2 3.97Å; I1109-L1113 HydrophobicContact CG2-CD1 4.24Å; I1109-L1113 WeakPolarHBondContact O-CB 3.45Å; I1109-L1113 WeakPolarHBondContact O-CD1 3.33Å; I1109-L1113 WeakPolarHBondContact O-CG 3.12Å; I1109-L1113 PolarHBondContact O-N 3.09Å; I1109-L1113 VanDerWaalsContact O-N 3.11Å; I1110-L1113 PolarHBondContact O-N 3.23Å; S1111-L1113 VanDerWaalsContact C-N 3.28Å; S1111-L1113 PolarHBondContact O-N 2.96Å; L1113-S1115 VanDerWaalsContact C-N 3.33Å; L1113-I1116 HydrophobicContact CD2-CD1 3.96Å
1114	K	68.3	Low	68.1	Low	101 Å²	101	37.7 Å²	37.7	44%	0.439	19%	0.192	S	C	.	.	H	α-helix	trans	-64.1	-38.5	172.2	-72.9	170.1	177.6	179.9	0	111.4	C808 I1110 S1111 I1116	C808-K1114 PolarHBondContact SG-NZ 2.96Å; I1110-K1114 HydrophobicContact CG2-CD 4.46Å; I1110-K1114 WeakPolarHBondContact O-CG 3.39Å; I1110-K1114 PolarHBondContact O-N 3.13Å; S1111-K1114 WeakPolarHBondContact O-CB 3.34Å; S1111-K1114 PolarHBondContact O-N 2.96Å; S1111-K1114 VanDerWaalsContact O-N 3.11Å; K1114-I1116 VanDerWaalsContact C-N 3.26Å; K1114-I1116 PolarHBondContact O-N 3.44Å
1115	S	68.1	Low	69.3	Low	2 Å²	2	30.6 Å²	30.6	1%	0.014	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	8.8	-178.2	-67.3	0	0	0	0	115.6	Y839 S1111 L1112 L1113 P1118 P1119 D1120 T1123	Y839-S1115 WeakPolarHBondContact CE2-O 3.38Å; Y839-S1115 PolarHBondContact OH-O 2.97Å; S1111-S1115 WeakPolarHBondContact O-CB 3.37Å; S1111-S1115 PolarHBondContact O-N 3.3Å; S1111-S1115 PolarHBondContact O-OG 3.31Å; S1111-S1115 VanDerWaalsContact O-OG 3.08Å; L1112-S1115 PolarHBondContact O-N 3.3Å; L1113-S1115 VanDerWaalsContact C-N 3.33Å; S1115-P1118 CarbonylContact C-O 3.38Å; S1115-P1119 VanDerWaalsContact O-CA 3.3Å; S1115-P1119 WeakPolarHBondContact O-CA 3.35Å; S1115-D1120 PolarHBondContact O-N 2.91Å; S1115-D1120 VanDerWaalsContact O-N 3.07Å; S1115-T1123 WeakPolarHBondContact CB-OG1 3.44Å; S1115-T1123 PolarHBondContact OG-OG1 3.06Å
1116	I	65	Low	70.4	Confident	32 Å²	32	29.2 Å²	29.2	16%	0.164	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-78	-37.4	178.7	-73.4	174	0	0	0	111.9	Y839 T842 L846 L1112 L1113 K1114 P1118 P1119	Y839-I1116 HydrophobicContact CD2-CD1 4.38Å; Y839-I1116 HydrophobicContact CD2-CG1 3.62Å; Y839-I1116 HydrophobicContact CE2-CG1 3.84Å; T842-I1116 HydrophobicContact CG2-CG2 3.66Å; L846-I1116 HydrophobicContact CD1-CG2 3.65Å; L846-I1116 VanDerWaalsContact CD1-O 3.24Å; L846-I1116 WeakPolarHBondContact CD1-O 3.22Å; L1112-I1116 WeakPolarHBondContact O-CG1 3.26Å; L1112-I1116 PolarHBondContact O-N 2.85Å; L1113-I1116 HydrophobicContact CD2-CD1 3.96Å; K1114-I1116 VanDerWaalsContact C-N 3.26Å; K1114-I1116 PolarHBondContact O-N 3.44Å; I1116-P1118 CarbonylContact C-O 3.37Å; I1116-P1119 WeakPolarHBondContact O-CA 3.37Å
1117	A	59.2	Low	71.2	Confident	43 Å²	43	23.3 Å²	23.3	36%	0.355	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-151.3	102.3	-178.7	0	0	0	0	0	108.8	F747	F747-A1117 WeakPolarHBondContact CZ-O 3.34Å
1118	P	62.1	Low	72	Confident	19 Å²	19	21.7 Å²	21.7	12%	0.123	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	cis	-58.4	139.2	1.9	-16	27.3	0	0	0	112.2	F855 P1038 S1115 I1116 D1120	F855-P1118 HydrophobicContact CD1-CB 3.84Å; F855-P1118 HydrophobicContact CE1-CB 3.54Å; F855-P1118 HydrophobicContact CE1-CG 3.73Å; F855-P1118 HydrophobicContact CZ-CG 4.46Å; P1038-P1118 HydrophobicContact CB-CB 3.74Å; P1038-P1118 HydrophobicContact CB-CG 4.12Å; S1115-P1118 CarbonylContact C-O 3.38Å; I1116-P1118 CarbonylContact C-O 3.37Å; P1118-D1120 PolarHBondContact O-N 3.34Å; P1118-D1120 VanDerWaalsContact O-N 3.13Å
1119	P	64	Low	72.9	Confident	15 Å²	15	21.7 Å²	21.7	10%	0.097	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-65.9	112.4	168	26.7	-30.8	0	0	0	107.9	F855 S1039 S1115 I1116	F855-P1119 HydrophobicContact CB-CG 4.34Å; S1039-P1119 VanDerWaalsContact CA-O 3.22Å; S1039-P1119 WeakPolarHBondContact CA-O 3.47Å; S1039-P1119 VanDerWaalsContact CB-O 3.3Å; S1039-P1119 WeakPolarHBondContact CB-O 3.46Å; S1039-P1119 WeakPolarHBondContact OG-CD 3.41Å; S1039-P1119 PolarHBondContact OG-O 3.42Å; S1115-P1119 VanDerWaalsContact O-CA 3.3Å; S1115-P1119 WeakPolarHBondContact O-CA 3.35Å; I1116-P1119 WeakPolarHBondContact O-CA 3.37Å
1120	D	77	Confident	73.5	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.011	11%	0.11	C	C	.	.			trans	-83.2	126.9	-175.1	-178.2	-55.1	0	0	0	110.8	H803 Y839 P1038 S1115 P1118 I1122 T1123 M1124	H803-D1120 IonicContact CE1-OD2 2.7Å; H803-D1120 IonicContact CG-OD2 3.36Å; H803-D1120 IonicContact ND1-OD1 2.7Å; H803-D1120 IonicContact ND1-OD2 3.48Å; H803-D1120 PolarHBondContact ND1-OD2 2.65Å; Y839-D1120 PolarHBondContact OH-O 3.46Å; P1038-D1120 WeakPolarHBondContact O-CA 3.42Å; S1115-D1120 PolarHBondContact O-N 2.91Å; S1115-D1120 VanDerWaalsContact O-N 3.07Å; P1118-D1120 PolarHBondContact O-N 3.34Å; P1118-D1120 VanDerWaalsContact O-N 3.13Å; D1120-I1122 WeakPolarHBondContact OD1-CA 3.37Å; D1120-I1122 VanDerWaalsContact OD1-CB 3.24Å; D1120-I1122 WeakPolarHBondContact OD1-CB 3.45Å; D1120-I1122 PolarHBondContact OD1-N 3.47Å; D1120-T1123 WeakPolarHBondContact CB-OG1 3.3Å; D1120-T1123 PolarHBondContact O-N 3.24Å; D1120-T1123 PolarHBondContact OD1-N 2.75Å; D1120-T1123 PolarHBondContact OD1-OG1 3.32Å; D1120-M1124 WeakPolarHBondContact O-CG 3.42Å; D1120-M1124 PolarHBondContact O-N 3.28Å
1121	W	80.3	Confident	73.9	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-69	-34.9	-175.4	73.8	-96.1	0	0	0	113.8	H803 I914 F1001 C1004 I1005 L1036 T1037 P1038 C1041 T1123 M1124 C1125	H803-W1121 AromaticContact CE1-CD1 3.6Å; H803-W1121 AromaticContact CE1-NE1 3.28Å; H803-W1121 PolarHBondContact CE1-NE1 2.99Å; H803-W1121 VanDerWaalsContact CE1-NE1 3.28Å; H803-W1121 AromaticContact NE2-NE1 3.52Å; I914-W1121 HydrophobicContact CD1-CE3 3.51Å; I914-W1121 HydrophobicContact CD1-CH2 4.45Å; I914-W1121 HydrophobicContact CD1-CZ3 3.38Å; I914-W1121 HydrophobicContact CG2-CB 3.96Å; I914-W1121 HydrophobicContact CG2-CD2 4.26Å; I914-W1121 HydrophobicContact CG2-CE3 3.87Å; I914-W1121 HydrophobicContact CG2-CG 4.34Å; F1001-W1121 HydrophobicContact CE2-CZ2 4.37Å; C1004-W1121 HydrophobicContact CB-CH2 3.68Å; C1004-W1121 HydrophobicContact CB-CZ3 3.72Å; I1005-W1121 HydrophobicContact CD1-CH2 3.99Å; I1005-W1121 HydrophobicContact CD1-CZ2 4.05Å; L1036-W1121 HydrophobicContact CD2-CZ2 4.16Å; T1037-W1121 PolarHBondContact O-NE1 3.36Å; P1038-W1121 PolarHBondContact O-N 2.74Å; P1038-W1121 VanDerWaalsContact O-N 3.08Å; C1041-W1121 HydrophobicContact CB-CD2 4.28Å; C1041-W1121 HydrophobicContact CB-CH2 4.07Å; C1041-W1121 HydrophobicContact CB-CZ2 3.56Å; W1121-T1123 VanDerWaalsContact C-N 3.31Å; W1121-M1124 HydrophobicContact CB-CE 4.25Å; W1121-M1124 PolarHBondContact O-N 3.38Å; W1121-C1125 PolarHBondContact O-N 3.12Å; W1121-C1125 PolarHBondContact O-SG 3Å; W1121-C1125 VanDerWaalsContact O-SG 3.4Å
1122	I	83.3	Confident	74.5	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.6	-46.4	173.5	-61.1	172.3	0	0	0	108.3	H803 L805 F806 F1001 D1120 M1124 C1125 V1126	H803-I1122 HydrophobicContact CB-CD1 4.18Å; L805-I1122 HydrophobicContact CD2-CG2 4.43Å; F806-I1122 HydrophobicContact CE2-CD1 3.82Å; F806-I1122 HydrophobicContact CZ-CD1 3.66Å; F1001-I1122 HydrophobicContact CD2-CD1 3.66Å; F1001-I1122 HydrophobicContact CE2-CD1 3.95Å; D1120-I1122 WeakPolarHBondContact OD1-CA 3.37Å; D1120-I1122 VanDerWaalsContact OD1-CB 3.24Å; D1120-I1122 WeakPolarHBondContact OD1-CB 3.45Å; D1120-I1122 PolarHBondContact OD1-N 3.47Å; I1122-M1124 VanDerWaalsContact C-N 3.31Å; I1122-M1124 PolarHBondContact O-N 2.95Å; I1122-C1125 WeakPolarHBondContact O-CB 3.46Å; I1122-C1125 PolarHBondContact O-N 3.32Å; I1122-C1125 VanDerWaalsContact O-N 3.11Å; I1122-V1126 WeakPolarHBondContact O-CG2 3.45Å; I1122-V1126 PolarHBondContact O-N 3.43Å
1123	T	78.9	Confident	74.7	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.3	-34.2	-179.3	-50.3	0	0	0	0	111.8	L805 Y839 L1112 S1115 D1120 W1121 A1127	L805-T1123 HydrophobicContact CD1-CG2 4.22Å; L805-T1123 WeakPolarHBondContact CD1-OG1 3.32Å; Y839-T1123 HydrophobicContact CE1-CG2 3.96Å; Y839-T1123 HydrophobicContact CE2-CG2 4.06Å; Y839-T1123 WeakPolarHBondContact OH-CB 3.46Å; Y839-T1123 WeakPolarHBondContact OH-CG2 3.36Å; L1112-T1123 HydrophobicContact CD2-CG2 3.53Å; S1115-T1123 WeakPolarHBondContact CB-OG1 3.44Å; S1115-T1123 PolarHBondContact OG-OG1 3.06Å; D1120-T1123 WeakPolarHBondContact CB-OG1 3.3Å; D1120-T1123 PolarHBondContact O-N 3.24Å; D1120-T1123 PolarHBondContact OD1-N 2.75Å; D1120-T1123 PolarHBondContact OD1-OG1 3.32Å; W1121-T1123 VanDerWaalsContact C-N 3.31Å; T1123-A1127 WeakPolarHBondContact O-CB 3.36Å; T1123-A1127 PolarHBondContact O-N 3.15Å
1124	M	80.1	Confident	74.6	Confident	19 Å²	19	22.6 Å²	22.6	9%	0.094	12%	0.115	C	C	.	.	H	α-helix	trans	-65.9	-40.4	169.7	-72.1	-171.5	-68.2	0	0	112.7	Y839 L840 C843 D915 D1120 W1121 I1122 R1128	Y839-M1124 HydrophobicContact CE1-CG 4.11Å; L840-M1124 HydrophobicContact CD2-CB 4.49Å; L840-M1124 HydrophobicContact CD2-CG 4.42Å; C843-M1124 HydrophobicContact CB-SD 4.14Å; D915-M1124 HydrophobicContact CB-CE 4.38Å; D1120-M1124 WeakPolarHBondContact O-CG 3.42Å; D1120-M1124 PolarHBondContact O-N 3.28Å; W1121-M1124 HydrophobicContact CB-CE 4.25Å; W1121-M1124 PolarHBondContact O-N 3.38Å; I1122-M1124 VanDerWaalsContact C-N 3.31Å; I1122-M1124 PolarHBondContact O-N 2.95Å; M1124-R1128 WeakPolarHBondContact O-CB 3.49Å; M1124-R1128 WeakPolarHBondContact O-CD 3.42Å; M1124-R1128 VanDerWaalsContact O-CG 3.22Å; M1124-R1128 WeakPolarHBondContact O-CG 3.3Å; M1124-R1128 PolarHBondContact O-N 2.92Å
1125	C	83.5	Confident	74.3	Confident	1 Å²	1	23 Å²	23	1%	0.007	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-47.4	174.8	-72.8	0	0	0	0	112.2	L918 F1095 W1121 I1122 A1127 R1128 I1129	L918-C1125 HydrophobicContact CD2-CB 4.18Å; F1095-C1125 HydrophobicContact CE1-CB 4.3Å; F1095-C1125 HydrophobicContact CZ-CB 4.44Å; W1121-C1125 PolarHBondContact O-N 3.12Å; W1121-C1125 PolarHBondContact O-SG 3Å; W1121-C1125 VanDerWaalsContact O-SG 3.4Å; I1122-C1125 WeakPolarHBondContact O-CB 3.46Å; I1122-C1125 PolarHBondContact O-N 3.32Å; I1122-C1125 VanDerWaalsContact O-N 3.11Å; C1125-A1127 PolarHBondContact O-N 2.74Å; C1125-R1128 PolarHBondContact O-N 2.99Å; C1125-I1129 WeakPolarHBondContact O-CG1 3.39Å; C1125-I1129 PolarHBondContact O-N 3.31Å
1126	V	81.9	Confident	73.8	Confident	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-54.2	-55.5	173.8	172.2	0	0	0	0	110.3	L1000 F1095 I1099 Y1103 M1108 I1122 R1128 I1129 C1130	L1000-V1126 HydrophobicContact CD1-CG2 4.49Å; F1095-V1126 HydrophobicContact CE1-CG2 4.18Å; F1095-V1126 HydrophobicContact CZ-CG2 3.62Å; I1099-V1126 HydrophobicContact CD1-CB 4.33Å; I1099-V1126 HydrophobicContact CD1-CG1 4.09Å; I1099-V1126 HydrophobicContact CD1-CG2 4.28Å; I1099-V1126 HydrophobicContact CG1-CG1 4.24Å; I1099-V1126 HydrophobicContact CG1-CG2 4.47Å; Y1103-V1126 HydrophobicContact CD2-CG1 4.23Å; Y1103-V1126 HydrophobicContact CE2-CG1 3.78Å; Y1103-V1126 HydrophobicContact CE2-CG2 4.25Å; M1108-V1126 HydrophobicContact CE-CG1 3.9Å; I1122-V1126 WeakPolarHBondContact O-CG2 3.45Å; I1122-V1126 PolarHBondContact O-N 3.43Å; V1126-R1128 VanDerWaalsContact C-N 3.31Å; V1126-R1128 PolarHBondContact O-N 2.91Å; V1126-I1129 PolarHBondContact O-N 3.35Å; V1126-C1130 WeakPolarHBondContact O-CB 3.39Å; V1126-C1130 PolarHBondContact O-N 2.91Å; V1126-C1130 PolarHBondContact O-SG 3.17Å
1127	A	79.5	Confident	73.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-35.5	-175.5	0	0	0	0	0	113.5	L836 Y839 L840 T1123 C1125 L1131	L836-A1127 HydrophobicContact CB-CB 4.44Å; L836-A1127 HydrophobicContact CD2-CB 3.76Å; Y839-A1127 HydrophobicContact CD1-CB 3.81Å; Y839-A1127 HydrophobicContact CE1-CB 4.1Å; L840-A1127 HydrophobicContact CD1-CB 4.24Å; L840-A1127 HydrophobicContact CD2-CB 3.84Å; L840-A1127 HydrophobicContact CG-CB 3.83Å; T1123-A1127 WeakPolarHBondContact O-CB 3.36Å; T1123-A1127 PolarHBondContact O-N 3.15Å; C1125-A1127 PolarHBondContact O-N 2.74Å; A1127-L1131 WeakPolarHBondContact O-CD1 3.22Å; A1127-L1131 VanDerWaalsContact O-CG 3.3Å; A1127-L1131 WeakPolarHBondContact O-CG 3.26Å; A1127-L1131 PolarHBondContact O-N 3.21Å
1128	R	80.4	Confident	73.8	Confident	39 Å²	39	31.9 Å²	31.9	15%	0.147	18%	0.179	C	C	.	.	H	α-helix	trans	-66	-46.6	175.3	-77.7	169.1	165.1	-83.1	6.2	112.5	L840 D915 L918 T919 M1124 C1125 V1126 L1131 Y1132	L840-R1128 HydrophobicContact CD1-CG 3.79Å; L840-R1128 HydrophobicContact CD2-CG 4.21Å; D915-R1128 PolarHBondContact O-NH2 3.02Å; D915-R1128 IonicContact OD1-CZ 3.73Å; D915-R1128 IonicContact OD1-NE 3.42Å; D915-R1128 PolarHBondContact OD1-NE 2.99Å; D915-R1128 IonicContact OD1-NH2 2.81Å; D915-R1128 PolarHBondContact OD1-NH2 2.66Å; D915-R1128 IonicContact OD2-NH2 2.78Å; D915-R1128 PolarHBondContact OD2-NH2 3.39Å; L918-R1128 HydrophobicContact CD2-CB 4.15Å; T919-R1128 PolarHBondContact OG1-NH1 3.33Å; T919-R1128 PolarHBondContact OG1-NH2 3.47Å; M1124-R1128 WeakPolarHBondContact O-CB 3.49Å; M1124-R1128 WeakPolarHBondContact O-CD 3.42Å; M1124-R1128 VanDerWaalsContact O-CG 3.22Å; M1124-R1128 WeakPolarHBondContact O-CG 3.3Å; M1124-R1128 PolarHBondContact O-N 2.92Å; C1125-R1128 PolarHBondContact O-N 2.99Å; V1126-R1128 VanDerWaalsContact C-N 3.31Å; V1126-R1128 PolarHBondContact O-N 2.91Å; R1128-L1131 PolarHBondContact O-N 3.28Å; R1128-Y1132 VanDerWaalsContact O-CB 3.26Å; R1128-Y1132 WeakPolarHBondContact O-CB 3.26Å; R1128-Y1132 PolarHBondContact O-N 3.31Å
1129	I	82.7	Confident	74.4	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-75.7	-35.1	-173.1	-69.1	163.7	0	0	0	110.9	L918 L1007 L1092 F1095 Y1096 I1099 C1125 V1126 N1133	L918-I1129 HydrophobicContact CD1-CD1 4.24Å; L918-I1129 HydrophobicContact CD1-CG1 4.46Å; L918-I1129 HydrophobicContact CD2-CD1 4.05Å; L918-I1129 HydrophobicContact CD2-CG1 4.28Å; L1007-I1129 HydrophobicContact CD2-CD1 3.98Å; L1092-I1129 HydrophobicContact CD2-CD1 3.36Å; L1092-I1129 HydrophobicContact CD2-CG1 4.01Å; F1095-I1129 HydrophobicContact CD1-CB 4.33Å; F1095-I1129 HydrophobicContact CD1-CD1 3.47Å; F1095-I1129 VanDerWaalsContact CD1-CD1 3.47Å; F1095-I1129 HydrophobicContact CD1-CG1 4.48Å; F1095-I1129 HydrophobicContact CD1-CG2 4.25Å; F1095-I1129 HydrophobicContact CE1-CD1 3.74Å; Y1096-I1129 HydrophobicContact CD2-CG2 4.44Å; I1099-I1129 HydrophobicContact CD1-CG2 4.48Å; C1125-I1129 WeakPolarHBondContact O-CG1 3.39Å; C1125-I1129 PolarHBondContact O-N 3.31Å; V1126-I1129 PolarHBondContact O-N 3.35Å; I1129-N1133 PolarHBondContact O-N 3.01Å; I1129-N1133 VanDerWaalsContact O-N 3.12Å
1130	C	78.2	Confident	75	Confident	7 Å²	7	33.6 Å²	33.6	5%	0.047	19%	0.187	C	C	.	.	H	α-helix	trans	-53.8	-55.3	167.1	-68.1	0	0	0	0	111.9	L836 I1099 V1126 Q1134	L836-C1130 HydrophobicContact CD1-CB 3.66Å; I1099-C1130 WeakPolarHBondContact CG2-SG 3.32Å; V1126-C1130 WeakPolarHBondContact O-CB 3.39Å; V1126-C1130 PolarHBondContact O-N 2.91Å; V1126-C1130 PolarHBondContact O-SG 3.17Å; C1130-Q1134 WeakPolarHBondContact O-CB 3.42Å; C1130-Q1134 VanDerWaalsContact O-CD 3.31Å; C1130-Q1134 WeakPolarHBondContact O-CG 3.42Å; C1130-Q1134 PolarHBondContact O-N 3.21Å; C1130-Q1134 VanDerWaalsContact O-N 3.14Å; C1130-Q1134 PolarHBondContact O-OE1 3.23Å
1131	L	76.9	Confident	74.9	Confident	38 Å²	38	35.4 Å²	35.4	20%	0.199	20%	0.198	C	C	.	.	H	α-helix	trans	-68.5	-38.1	-176.1	-68.5	171.4	0	0	0	112.3	I833 L836 L840 A1127 R1128 Q1134 T1135	I833-L1131 HydrophobicContact CG2-CD2 3.93Å; L836-L1131 HydrophobicContact CB-CD1 4.28Å; L836-L1131 HydrophobicContact CB-CD2 4.36Å; L836-L1131 HydrophobicContact CB-CG 4.3Å; L840-L1131 HydrophobicContact CD1-CD1 3.78Å; A1127-L1131 WeakPolarHBondContact O-CD1 3.22Å; A1127-L1131 VanDerWaalsContact O-CG 3.3Å; A1127-L1131 WeakPolarHBondContact O-CG 3.26Å; A1127-L1131 PolarHBondContact O-N 3.21Å; R1128-L1131 PolarHBondContact O-N 3.28Å; L1131-Q1134 PolarHBondContact O-N 3.35Å; L1131-T1135 PolarHBondContact O-N 3.22Å; L1131-T1135 PolarHBondContact O-OG1 2.99Å
1132	Y	78.4	Confident	74.5	Confident	50 Å²	50	37.6 Å²	37.6	20%	0.196	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-47.4	178	177	-93.9	0	0	0	112	L922 Q925 T926 R1128 Q1134 T1135 N1136	L922-Y1132 HydrophobicContact CB-CD2 3.75Å; L922-Y1132 HydrophobicContact CB-CE2 3.65Å; L922-Y1132 HydrophobicContact CD1-CD2 4.08Å; L922-Y1132 HydrophobicContact CD1-CG 4.13Å; L922-Y1132 HydrophobicContact CD2-CD1 3.86Å; L922-Y1132 HydrophobicContact CD2-CD2 3.89Å; L922-Y1132 HydrophobicContact CD2-CE1 3.83Å; L922-Y1132 HydrophobicContact CD2-CE2 3.82Å; L922-Y1132 HydrophobicContact CD2-CG 3.9Å; L922-Y1132 HydrophobicContact CG-CD2 4.1Å; L922-Y1132 HydrophobicContact CG-CE2 4.21Å; L922-Y1132 HydrophobicContact CG-CG 4.4Å; Q925-Y1132 WeakPolarHBondContact CB-OH 3.41Å; T926-Y1132 HydrophobicContact CG2-CD2 4.49Å; T926-Y1132 HydrophobicContact CG2-CE2 3.49Å; T926-Y1132 VanDerWaalsContact CG2-CE2 3.49Å; R1128-Y1132 VanDerWaalsContact O-CB 3.26Å; R1128-Y1132 WeakPolarHBondContact O-CB 3.26Å; R1128-Y1132 PolarHBondContact O-N 3.31Å; Y1132-Q1134 VanDerWaalsContact C-N 3.33Å; Y1132-Q1134 PolarHBondContact O-N 3.46Å; Y1132-T1135 WeakPolarHBondContact CA-OG1 3.1Å; Y1132-T1135 PolarHBondContact O-N 3.46Å; Y1132-T1135 PolarHBondContact O-OG1 2.87Å; Y1132-N1136 VanDerWaalsContact CE1-ND2 3.3Å; Y1132-N1136 WeakPolarHBondContact CE1-ND2 3.4Å; Y1132-N1136 VanDerWaalsContact CZ-ND2 3.29Å; Y1132-N1136 PolarHBondContact O-N 3.13Å; Y1132-N1136 PolarHBondContact O-ND2 3.4Å
1133	N	72.9	Confident	74	Confident	39 Å²	39	40.1 Å²	40.1	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-68.2	-35.1	178.9	-71.7	-20.2	0	0	0	111.5	Y1096 I1129 T1135 N1136 S1137	Y1096-N1133 WeakPolarHBondContact CB-ND2 3.47Å; Y1096-N1133 HydrophobicContact CD1-CB 4.47Å; Y1096-N1133 VanDerWaalsContact CD1-ND2 3.27Å; Y1096-N1133 WeakPolarHBondContact CD1-ND2 3.45Å; Y1096-N1133 HydrophobicContact CD2-CB 4.19Å; Y1096-N1133 WeakPolarHBondContact CD2-ND2 3.46Å; Y1096-N1133 HydrophobicContact CE1-CB 4Å; Y1096-N1133 HydrophobicContact CE2-CB 3.71Å; I1129-N1133 PolarHBondContact O-N 3.01Å; I1129-N1133 VanDerWaalsContact O-N 3.12Å; N1133-T1135 VanDerWaalsContact C-N 3.26Å; N1133-T1135 PolarHBondContact O-N 3.02Å; N1133-N1136 CarbonylContact O-C 3.58Å; N1133-N1136 PolarHBondContact O-N 3.08Å; N1133-N1136 VanDerWaalsContact O-N 3.11Å; N1133-S1137 WeakPolarHBondContact O-CB 3.08Å; N1133-S1137 PolarHBondContact O-N 3.49Å; N1133-S1137 PolarHBondContact O-OG 3.15Å
1134	Q	66.4	Low	73.6	Confident	63 Å²	63	43 Å²	43	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-70.2	-14.2	173.1	-70.8	165.7	-21.9	0	0	114.8	C1130 L1131 Y1132	C1130-Q1134 WeakPolarHBondContact O-CB 3.42Å; C1130-Q1134 VanDerWaalsContact O-CD 3.31Å; C1130-Q1134 WeakPolarHBondContact O-CG 3.42Å; C1130-Q1134 PolarHBondContact O-N 3.21Å; C1130-Q1134 VanDerWaalsContact O-N 3.14Å; C1130-Q1134 PolarHBondContact O-OE1 3.23Å; L1131-Q1134 PolarHBondContact O-N 3.35Å; Y1132-Q1134 VanDerWaalsContact C-N 3.33Å; Y1132-Q1134 PolarHBondContact O-N 3.46Å
1135	T	62.2	Low	73.1	Confident	109 Å²	109	44.8 Å²	44.8	67%	0.669	25%	0.251	S	S	*	.	H	α-helix	trans	-91.6	-10	169.5	47.8	0	0	0	0	113.7	L1131 Y1132 N1133	L1131-T1135 PolarHBondContact O-N 3.22Å; L1131-T1135 PolarHBondContact O-OG1 2.99Å; Y1132-T1135 WeakPolarHBondContact CA-OG1 3.1Å; Y1132-T1135 PolarHBondContact O-N 3.46Å; Y1132-T1135 PolarHBondContact O-OG1 2.87Å; N1133-T1135 VanDerWaalsContact C-N 3.26Å; N1133-T1135 PolarHBondContact O-N 3.02Å
1136	N	57.9	Low	72.3	Confident	94 Å²	94	48.5 Å²	48.5	50%	0.503	27%	0.271	S	S	.	.	H	α-helix	trans	-114.3	-1.3	-179.1	-66.8	-44.3	0	0	0	113.1	Y1132 N1133	Y1132-N1136 VanDerWaalsContact CE1-ND2 3.3Å; Y1132-N1136 WeakPolarHBondContact CE1-ND2 3.4Å; Y1132-N1136 VanDerWaalsContact CZ-ND2 3.29Å; Y1132-N1136 PolarHBondContact O-N 3.13Å; Y1132-N1136 PolarHBondContact O-ND2 3.4Å; N1133-N1136 CarbonylContact O-C 3.58Å; N1133-N1136 PolarHBondContact O-N 3.08Å; N1133-N1136 VanDerWaalsContact O-N 3.11Å
1137	S	49.7	Very low	71.4	Confident	139 Å²	139	52.8 Å²	52.8	97%	0.972	30%	0.296	S	S	*	.			trans	-103.5	0	172.1	67	0	0	0	0	111.6	N1133	N1133-S1137 WeakPolarHBondContact O-CB 3.08Å; N1133-S1137 PolarHBondContact O-N 3.49Å; N1133-S1137 PolarHBondContact O-OG 3.15Å

Retrieved 1,137 of 1,137 residues in 1258.8 ms (Link to these results)

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