A0A096N399_PAPAN Loading...

Dynamin-like GTPase OPA1, mitochondrial

AlphaFold DB , UniProt , Accession A0A096N399, Species PAPAN (Papio anubis, Olive baboon), Gene OPA1, Length 1,015 aa.

						>A0A096N399_PAPAN|A0A096N399|OPA1
MWRLRRAAVACEVCQSLVKHSSGIKGSLPLQKLHLVSRSIYHSHHPTLKLQRPQLRTSFQQFSSLTNLPLRKLKFSPIKYGYQPRRNFWPARLATRLLKLRYLILGSAVGGGYTAKKTFDQWKDMIPDLSEYKWIVPDIVWEIDEYIDFEKIRKALPNSEDLVKLAPDFDKIVESLNLLKDFFTSGHKLVSEVIGASDLLLLLGSPGETAFRATDHGSESDKHFRKGLLGELILLQQQIQEHEEEARRAAGQYSTSYAQQKRKVSDKEKIDQLQEELLHTQLKYQRILERLEKENKELRKLVLQKDDKGIHHRKLKKSLIDMYSEVLDVLSDYDASYNTQDHLPRVVVVGDQSAGKTSVLEMIAQARIFPRGSGEMMTRSPVKVTLSEGPHHVALFKDSSREFDLTKEEDLAALRHEIELRMRKNVKEGCTVSPETISLNVKGPGLQRMVLVDLPGVINTVTSGMAPDTKETIFSISKAYMQNPNAIILCIQDGSVDAERSIVTDLVSQMDPHGRRTIFVLTKVDLAEKNVASPSRIQQIIEGKLFPMKALGYFAVVTGKGNSSESIEAIREYEEEFFQNSKLLKTSMLKAHQVTTRNLSLAVSDCFWKMVRESVEQQADSFKATRFNLETEWKNNYPRLRELDRNELFEKAKNEILDEVISLSQVTPKHWEEILQQSLWERVSTHVIENIYLPAAQTMNSGTFNTTVDIKLKQWTDKQLPNKAVEVAWETLQEEFSRFMTEPKGKEHDDIFDKLKEAVKEESIKRHKWNDFAEDSLRVIQHNALEDRSISDKQQWDAAIYFMEEALQARLKDTENAIENMVGPDWKKRWLYWKNRTQEQCVHNETKNELEKMLKCNEEHPAYLASDEITTVRKNLESRGVEVDPSLIKDTWHQVYRRHFLKTALNHCNLCRRGFYYYQRHFVDSELECNDVVLFWRIQRMLAITANTLRQQLTNTEVRRLEKNVKEVLEDFAEDSEKKIKLLTGKRVQLAEDLKKVREIQEKLDAFIEALHQEK
					

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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	30.1	Very low	27.7	Very low	231 Å²	231	168.8 Å²	168.8	100%	1.138	86%	0.856	S	S	*	*				0	136.8	0	-63.1	-174.7	-162.3	0	0	106.8
2	W	28.1	Very low	27.8	Very low	230 Å²	230	169.7 Å²	169.7	87%	0.871	85%	0.854	S	S	*	*			cis	-139.6	-175.6	1.7	-111	25	0	0	0	110
3	R	30.2	Very low	27.7	Very low	215 Å²	215	165.9 Å²	165.9	81%	0.811	85%	0.845	S	S	*	*			trans	-41.4	156	173.3	-59.2	173.3	-179.5	-179.3	-0.9	115.1
4	L	31.3	Very low	27.4	Very low	158 Å²	158	161.1 Å²	161.1	83%	0.827	83%	0.832	S	S	*	*			cis	-150.1	175.5	-0.6	-145.3	78.5	0	0	0	111.7
5	R	29.1	Very low	27.4	Very low	240 Å²	240	162.8 Å²	162.8	91%	0.906	84%	0.835	S	S	*	*			trans	-56.8	145.8	-166.8	-66.4	173.2	171.9	166	-4.8	117.8
6	R	27.2	Very low	27.3	Very low	248 Å²	248	159.4 Å²	159.4	94%	0.936	83%	0.83	S	S	*	*			trans	-103.5	-176.3	155.3	-84.3	-176.8	169.3	-178.2	-3.6	110.1
7	A	27.6	Very low	27.2	Very low	95 Å²	95	158.8 Å²	158.8	79%	0.785	83%	0.827	S	S	*	*			trans	71.7	120	179.4	0	0	0	0	0	113.6
8	A	24.7	Very low	27.3	Very low	88 Å²	88	156.4 Å²	156.4	73%	0.727	82%	0.82	S	S	*	*			cis	70.4	110.2	4.9	0	0	0	0	0	118
9	V	25.7	Very low	27.4	Very low	140 Å²	140	157.5 Å²	157.5	85%	0.848	82%	0.817	S	S	*	*			trans	80.6	125	133.2	176.7	0	0	0	0	120.4
10	A	26.8	Very low	27.5	Very low	87 Å²	87	157.7 Å²	157.7	72%	0.719	81%	0.814	S	S	*	*			trans	81.3	152.3	145.5	0	0	0	0	0	123.8
11	C	24.3	Very low	27.4	Very low	125 Å²	125	154.7 Å²	154.7	85%	0.845	81%	0.807	S	S	*	*			trans	97.1	112	146	-81.7	0	0	0	0	120.4
12	E	28.1	Very low	27.3	Very low	179 Å²	179	148.9 Å²	148.9	84%	0.836	79%	0.789	S	S	*	*			trans	-53.9	164.9	141.8	-54.4	164.1	109.4	0	0	111.3
13	V	26.4	Very low	27.2	Very low	121 Å²	121	141.1 Å²	141.1	73%	0.733	78%	0.781	S	S	*	*				164.5	126.8	117.3	160.3	0	0	0	0	109.9
14	C	24.4	Very low	27.2	Very low	98 Å²	98	137.8 Å²	137.8	66%	0.662	78%	0.777	S	S	*	*			trans	20.4	124	155.8	-63.9	0	0	0	0	122.5
15	Q	26.4	Very low	26.9	Very low	187 Å²	187	139.9 Å²	139.9	87%	0.874	78%	0.78	S	S	*	*				64.6	120.2	126.1	-60.2	179.4	6.2	0	0	120.1
16	S	25.7	Very low	26.7	Very low	109 Å²	109	131.7 Å²	131.7	76%	0.762	77%	0.77	S	S	*	*				-142.7	142	129.2	70.3	0	0	0	0	112.6
17	L	26.2	Very low	26.6	Very low	149 Å²	149	125.5 Å²	125.5	78%	0.78	77%	0.765	S	S	*	*			trans	53.5	95.1	143.9	-64.8	170.8	0	0	0	121.1
18	V	29.4	Very low	27	Very low	116 Å²	116	129 Å²	129	70%	0.703	77%	0.77	S	S	*	*				81.5	145.2	106.8	158.3	0	0	0	0	120.6
19	K	28.6	Very low	27.7	Very low	176 Å²	176	130 Å²	130	77%	0.765	77%	0.769	S	S	*	*			trans	84.1	99.2	162.6	-91.6	156.7	-171	177.1	0	119
20	H	29	Very low	27.7	Very low	161 Å²	161	130 Å²	130	75%	0.745	76%	0.763	S	S	*	*				71.2	119.1	125	-85.9	-92.6	0	0	0	117.1
21	S	25.4	Very low	27.8	Very low	95 Å²	95	132.4 Å²	132.4	66%	0.664	76%	0.76	S	S	*	*			cis	56.4	130.8	32.7	110.3	0	0	0	0	112.6
22	S	28.5	Very low	27.9	Very low	109 Å²	109	134.3 Å²	134.3	76%	0.762	75%	0.754	S	S	*	*			cis	-162.6	168.8	5.2	49.5	0	0	0	0	106.1
23	G	26.6	Very low	28	Very low	68 Å²	68	133.8 Å²	133.8	70%	0.701	76%	0.755	S	S	*	*			cis	146.8	-138.7	9.6	0	0	0	0	0	107.8
24	I	29.3	Very low	28	Very low	144 Å²	144	135.9 Å²	135.9	74%	0.738	76%	0.757	S	S	*	*			trans	75.1	98.5	162.3	-53.8	179.6	0	0	0	117.2
25	K	25.6	Very low	28.2	Very low	202 Å²	202	139 Å²	139	88%	0.878	77%	0.766	S	S	*	*			trans	45.7	113.7	131.7	-52.8	177	-173.7	178.5	0	120
26	G	24.1	Very low	28.3	Very low	69 Å²	69	136.1 Å²	136.1	71%	0.711	76%	0.761	S	S	*	*				105.5	161.7	90.3	0	0	0	0	0	119.6
27	S	26.4	Very low	28.3	Very low	118 Å²	118	136 Å²	136	83%	0.825	76%	0.761	S	S	*	*			trans	55.4	102.7	167.7	46.1	0	0	0	0	119.3
28	L	34.4	Very low	28.5	Very low	169 Å²	169	139.5 Å²	139.5	89%	0.885	76%	0.763	S	S	*	*			trans	-42.3	151.1	140.1	-70.9	153	0	0	0	111.3
29	P	40	Very low	28.4	Very low	108 Å²	108	138.2 Å²	138.2	70%	0.701	76%	0.76	S	S	*	*				-154	159.5	94	38.6	-19.8	0	0	0	118.9
30	L	26.6	Very low	28.5	Very low	141 Å²	141	136.4 Å²	136.4	74%	0.738	76%	0.757	S	S	*	*			trans	65.1	107.1	140.3	-68.9	167.5	0	0	0	123.4
31	Q	29.1	Very low	28.4	Very low	137 Å²	137	140 Å²	140	64%	0.64	77%	0.766	S	S	*	*				77.9	131.4	120.3	-80	-174.2	27.9	0	0	124.4
32	K	26.7	Very low	28.6	Very low	165 Å²	165	143.4 Å²	143.4	72%	0.717	77%	0.77	S	S	*	*			trans	69.4	116.5	140.7	-69	167.1	177.1	156	0	119.9
33	L	28.4	Very low	28.4	Very low	167 Å²	167	142.4 Å²	142.4	87%	0.874	76%	0.764	S	S	*	*				-162.3	170	92	-101.8	166.9	0	0	0	112
34	H	27.4	Very low	28.5	Very low	165 Å²	165	148 Å²	148	76%	0.764	77%	0.771	S	S	*	*			trans	-99.3	152.3	-176.7	-61.5	-123	0	0	0	112.1
35	L	28.4	Very low	28.6	Very low	163 Å²	163	149.5 Å²	149.5	85%	0.853	78%	0.775	S	S	*	*				165.4	127.6	105.9	-97.7	137.1	0	0	0	115.1
36	V	27.6	Very low	29.4	Very low	127 Å²	127	145.8 Å²	145.8	77%	0.77	77%	0.771	S	S	*	*			trans	18.1	119.7	144.9	-176.8	0	0	0	0	121
37	S	27.5	Very low	29.9	Very low	108 Å²	108	149 Å²	149	76%	0.755	78%	0.777	S	S	*	*			trans	-154.1	122.9	138.1	-174.8	0	0	0	0	107.5
38	R	29.6	Very low	30.1	Very low	221 Å²	221	150.3 Å²	150.3	83%	0.834	77%	0.774	S	S	*	*				43.5	135	85	-76	-171.5	-177.8	-170	2.2	114.7
39	S	27.3	Very low	29.8	Very low	90 Å²	90	150.8 Å²	150.8	63%	0.629	77%	0.769	S	S	*	*			cis	179.8	177.3	-14.2	43.4	0	0	0	0	109.4
40	I	30.4	Very low	29.2	Very low	138 Å²	138	151.9 Å²	151.9	71%	0.708	77%	0.768	S	S	*	*			trans	83.3	126.4	162.8	-52.6	152	0	0	0	116.5
41	Y	28.2	Very low	29.3	Very low	237 Å²	237	152.9 Å²	152.9	93%	0.929	77%	0.769	S	S	*	*			trans	-134.9	143.9	147	-102.2	-82.4	0	0	0	108.2
42	H	27.7	Very low	29.5	Very low	165 Å²	165	157.6 Å²	157.6	76%	0.764	78%	0.781	S	S	*	*			trans	-144.3	137.5	179.6	-123.3	-69.3	0	0	0	111.2
43	S	26.2	Very low	30.3	Very low	89 Å²	89	154.7 Å²	154.7	62%	0.622	78%	0.779	S	S	*	*			trans	51.5	112.7	152.8	56	0	0	0	0	122.3
44	H	27.5	Very low	30.5	Very low	184 Å²	184	154.9 Å²	154.9	85%	0.852	78%	0.776	S	S	*	*			trans	75.1	152.8	130.7	-71.7	-61.5	0	0	0	123.7
45	H	32.4	Very low	30.8	Very low	177 Å²	177	154.1 Å²	154.1	82%	0.819	78%	0.776	S	S	*	*			trans	-67.2	160	177.8	-70.7	-85.2	0	0	0	115
46	P	42.3	Very low	30.8	Very low	123 Å²	123	157.4 Å²	157.4	80%	0.799	78%	0.777	S	S	*	*			trans	-121.2	169.1	136.1	36.8	-28.9	0	0	0	113.9
47	T	33.3	Very low	31	Very low	136 Å²	136	156.8 Å²	156.8	83%	0.834	77%	0.774	S	S	*	*			trans	-108.2	162.4	-179	55.9	0	0	0	0	112.4
48	L	31	Very low	31.2	Very low	146 Å²	146	156.1 Å²	156.1	76%	0.764	77%	0.769	S	S	*	*			trans	-164.1	129.2	157.6	-92.3	162.2	0	0	0	108
49	K	28.8	Very low	31.1	Very low	180 Å²	180	154 Å²	154	78%	0.783	77%	0.767	S	S	*	*				61.9	145.9	87.7	-61.2	-169.7	-164.4	172.2	0	114.7
50	L	28	Very low	31.3	Very low	130 Å²	130	156.9 Å²	156.9	68%	0.681	77%	0.77	S	S	*	*			cis	-162.1	156.7	24.9	-160.2	72.4	0	0	0	114.5
51	Q	27.7	Very low	31.2	Very low	162 Å²	162	157 Å²	157	76%	0.757	77%	0.767	S	S	*	*			trans	33.1	125.6	154.4	-73.1	163.5	-16	0	0	123.3
52	R	32.3	Very low	31.3	Very low	236 Å²	236	153.8 Å²	153.8	89%	0.891	76%	0.759	S	S	*	*				60.9	147.7	74.6	-98.5	-169	-171	-177.6	4.4	116.7
53	P	44.8	Very low	31.3	Very low	104 Å²	104	150.4 Å²	150.4	68%	0.675	75%	0.753	S	S	*	*				-119.7	-150.4	52.4	19.3	5.7	0	0	0	113
54	Q	31.9	Very low	31.5	Very low	172 Å²	172	151 Å²	151	80%	0.804	76%	0.758	S	S	*	*			cis	-136.7	-166.4	11.1	-87.9	-63.8	1.8	0	0	113.5
55	L	33.5	Very low	31.7	Very low	148 Å²	148	149.8 Å²	149.8	78%	0.775	76%	0.757	S	S	*	*			trans	-157.2	136.1	-157.7	-169.2	179.6	0	0	0	114.4
56	R	28.1	Very low	31.5	Very low	232 Å²	232	147.2 Å²	147.2	88%	0.875	75%	0.753	S	S	*	*			trans	-154.7	118.8	152.9	-117.5	-174.6	-168.7	-156.8	1.6	117
57	T	33.2	Very low	30.8	Very low	115 Å²	115	148.7 Å²	148.7	71%	0.706	76%	0.755	S	S	*	*			trans	52.3	141.8	143.2	49.2	0	0	0	0	123
58	S	31.1	Very low	31	Very low	94 Å²	94	149.9 Å²	149.9	66%	0.657	76%	0.755	S	S	*	*			cis	-173.6	167.7	-4.9	46.4	0	0	0	0	114.4
59	F	27.9	Very low	31.5	Very low	177 Å²	177	147.9 Å²	147.9	78%	0.776	75%	0.751	S	S	*	*			trans	66.6	124.9	172.8	-69.3	-90.2	0	0	0	117.5
60	Q	30.4	Very low	31.6	Very low	150 Å²	150	146.5 Å²	146.5	70%	0.701	75%	0.751	S	S	*	*				82.3	140.2	60.3	-80.1	-162.8	-15.6	0	0	114
61	Q	29.8	Very low	31.6	Very low	139 Å²	139	150 Å²	150	65%	0.65	76%	0.756	S	S	*	*			cis	-155.7	165.3	12.4	-120.7	-178.6	37.1	0	0	114.9
62	F	28.5	Very low	31.6	Very low	171 Å²	171	151.3 Å²	151.3	75%	0.75	76%	0.759	S	S	*	*			trans	20.2	109.9	161.1	-64.3	-66.5	0	0	0	126.8
63	S	28.2	Very low	31.4	Very low	93 Å²	93	146.7 Å²	146.7	65%	0.65	75%	0.751	S	S	*	*				31.5	137.4	115.2	67.3	0	0	0	0	126.9
64	S	31.7	Very low	30.5	Very low	102 Å²	102	151.8 Å²	151.8	71%	0.713	76%	0.762	S	S	*	*				104.7	126.9	124.8	71.9	0	0	0	0	124.1
65	L	30.9	Very low	30.3	Very low	158 Å²	158	152 Å²	152	83%	0.827	76%	0.761	S	S	*	*			trans	57.1	122.9	143.4	-63.6	168.7	0	0	0	122.6
66	T	28.1	Very low	30.2	Very low	123 Å²	123	149.6 Å²	149.6	76%	0.755	76%	0.757	S	S	*	*				-179	146.7	101.9	27	0	0	0	0	116.2
67	N	28.5	Very low	30.7	Very low	154 Å²	154	144.6 Å²	144.6	82%	0.824	75%	0.754	S	S	*	*			trans	67.4	121.4	143.2	-60.7	-11.4	0	0	0	126.1
68	L	35.9	Very low	30.6	Very low	162 Å²	162	145.5 Å²	145.5	85%	0.848	75%	0.753	S	S	*	*			trans	-53	173.1	151.1	-88.1	163.8	0	0	0	114.1
69	P	42	Very low	30.2	Very low	103 Å²	103	151 Å²	151	67%	0.669	77%	0.765	S	S	*	*			cis	-162	171.1	48.3	45.7	-23.2	0	0	0	123
70	L	31.1	Very low	30.3	Very low	152 Å²	152	153.4 Å²	153.4	80%	0.796	77%	0.771	S	S	*	*			trans	64.8	149.3	142.5	-78.5	166.8	0	0	0	119.7
71	R	29	Very low	30	Very low	204 Å²	204	149.4 Å²	149.4	77%	0.77	77%	0.77	S	S	*	*			cis	-168.5	142.2	0.7	-169.9	-177.1	-172.8	-179.6	3.3	111.2
72	K	26.8	Very low	29.8	Very low	189 Å²	189	153.6 Å²	153.6	82%	0.822	78%	0.782	S	S	*	*				162.1	157.1	120.9	-89.6	-175.6	180	175.8	0	113.5
73	L	28.5	Very low	30.2	Very low	138 Å²	138	154.2 Å²	154.2	72%	0.723	79%	0.787	S	S	*	*			trans	-110.4	166.2	-173.3	-63.4	74.3	0	0	0	112.7	F75	L73-F75 HydrophobicContact CD2-CD2 4.26Å; L73-F75 HydrophobicContact CD2-CE2 4.16Å
74	K	24.8	Very low	30.7	Very low	212 Å²	212	154.7 Å²	154.7	92%	0.922	79%	0.788	S	S	*	*			trans	-154.6	159	130.3	-110.8	177.3	-177.7	-175.2	0	111.6
75	F	27.9	Very low	30.6	Very low	175 Å²	175	161.4 Å²	161.4	77%	0.768	80%	0.798	S	S	*	*			trans	-133.2	137.5	-170.8	-100.4	-83.8	0	0	0	112.2	L73	L73-F75 HydrophobicContact CD2-CD2 4.26Å; L73-F75 HydrophobicContact CD2-CE2 4.16Å
76	S	32.7	Very low	31.2	Very low	99 Å²	99	164.9 Å²	164.9	69%	0.692	80%	0.8	S	S	*	*			trans	56.9	170.2	145	84.6	0	0	0	0	118.9
77	P	38.6	Very low	31.5	Very low	127 Å²	127	166.3 Å²	166.3	83%	0.825	80%	0.803	S	S	*	*				-129	-174.8	52.5	39	-21.6	0	0	0	116.3
78	I	30.7	Very low	32.5	Very low	134 Å²	134	166.1 Å²	166.1	69%	0.687	80%	0.795	S	S	*	*			trans	-106.2	152.9	-167.8	-63.9	154.4	0	0	0	111.9	Y80	I78-Y80 HydrophobicContact CG2-CD2 3.97Å; I78-Y80 HydrophobicContact CG2-CE2 4.13Å
79	K	23	Very low	33.1	Very low	208 Å²	208	166.4 Å²	166.4	90%	0.904	79%	0.785	S	S	*	*			trans	-137.8	148.8	144.8	-86.3	-166.9	176.1	179.1	0	111.9
80	Y	28.6	Very low	33.5	Very low	228 Å²	228	166.2 Å²	166.2	89%	0.894	78%	0.784	S	S	*	*			trans	-95.9	156.1	-178.6	-87.4	-106.3	0	0	0	112.4	I78	I78-Y80 HydrophobicContact CG2-CD2 3.97Å; I78-Y80 HydrophobicContact CG2-CE2 4.13Å
81	G	24.2	Very low	34.2	Very low	67 Å²	67	161.4 Å²	161.4	69%	0.691	77%	0.765	S	S	*	*			trans	172	114	162.5	0	0	0	0	0	116.6
82	Y	26.4	Very low	35	Very low	227 Å²	227	159 Å²	159	89%	0.89	76%	0.756	S	S	*	*			trans	50.5	106.9	153.1	-72.1	-89.9	0	0	0	122.3
83	Q	35.6	Very low	36.2	Very low	183 Å²	183	154 Å²	154	86%	0.855	74%	0.739	S	S	*	*				-75.3	163.1	119.5	-80.8	-170.2	-5.7	0	0	108.8
84	P	40.4	Very low	37.2	Very low	103 Å²	103	149.8 Å²	149.8	67%	0.669	72%	0.724	S	S	*	*			cis	-145.3	164.8	24.5	41.6	-23	0	0	0	118.1
85	R	28	Very low	38.2	Very low	244 Å²	244	143.7 Å²	143.7	92%	0.921	70%	0.704	S	S	*	*				-176.2	155.6	117.5	-104.1	178.5	176.2	-165	-0.8	113.2
86	R	44.1	Very low	39.2	Very low	230 Å²	230	144.2 Å²	144.2	87%	0.868	70%	0.701	S	S	*	*			trans	-76.4	137.1	173.7	-64.3	166.3	168	161.2	-7.1	110.4
87	N	35.3	Very low	40.1	Very low	153 Å²	153	144.6 Å²	144.6	82%	0.818	69%	0.694	S	S	*	*			trans	-125.9	73.1	158.5	-98.4	-13.8	0	0	0	110.9	W89	N87-W89 PolarHBondContact O-N 2.7Å
88	F	48.9	Very low	40.6	Very low	151 Å²	151	142.5 Å²	142.5	66%	0.662	68%	0.676	S	S	*	*			trans	-80.5	44.3	-177.9	-144.5	-86.1	0	0	0	111.9	A91 R92	F88-A91 HydrophobicContact CD1-CB 4.43Å; F88-A91 HydrophobicContact CE1-CB 4.29Å; F88-R92 WeakPolarHBondContact O-CD 3.43Å; F88-R92 VanDerWaalsContact O-CG 3.3Å; F88-R92 WeakPolarHBondContact O-CG 3.25Å
89	W	48.8	Very low	41.3	Very low	167 Å²	167	143.4 Å²	143.4	63%	0.633	68%	0.675	S	S	*	*			trans	-101.2	-46.2	-168.3	-137.5	80.9	0	0	0	115.7	N87 A91 R92 L93	N87-W89 PolarHBondContact O-N 2.7Å; W89-A91 VanDerWaalsContact C-N 3.27Å; W89-A91 PolarHBondContact O-N 2.71Å; W89-R92 CarbonylContact O-C 3.56Å; W89-R92 WeakPolarHBondContact O-CA 3.22Å; W89-R92 WeakPolarHBondContact O-CB 3.36Å; W89-R92 PolarHBondContact O-N 2.65Å; W89-L93 HydrophobicContact CH2-CD1 4.22Å; W89-L93 HydrophobicContact CZ3-CD1 3.92Å; W89-L93 PolarHBondContact O-N 2.86Å
90	P	50.7	Low	42.6	Very low	100 Å²	100	137.3 Å²	137.3	65%	0.649	65%	0.652	S	S	*	*	H	α-helix	trans	-61.1	-36.7	177.9	21.8	-32.4	0	0	0	112.3	R92 L93 A94	P90-R92 VanDerWaalsContact C-N 3.29Å; P90-R92 PolarHBondContact O-N 3.03Å; P90-L93 PolarHBondContact O-N 3.49Å; P90-A94 WeakPolarHBondContact O-CB 3.34Å; P90-A94 PolarHBondContact O-N 2.77Å
91	A	44.3	Very low	43.5	Very low	50 Å²	50	131.4 Å²	131.4	41%	0.413	63%	0.628	S	S	.	*	H	α-helix	trans	-63.8	-30.3	171.9	0	0	0	0	0	113.4	F88 W89 T95	F88-A91 HydrophobicContact CD1-CB 4.43Å; F88-A91 HydrophobicContact CE1-CB 4.29Å; W89-A91 VanDerWaalsContact C-N 3.27Å; W89-A91 PolarHBondContact O-N 2.71Å; A91-T95 WeakPolarHBondContact O-CB 3.37Å; A91-T95 WeakPolarHBondContact O-CG2 3.29Å; A91-T95 PolarHBondContact O-N 3.24Å; A91-T95 VanDerWaalsContact O-N 3.12Å; A91-T95 PolarHBondContact O-OG1 2.96Å
92	R	46.4	Very low	44.7	Very low	153 Å²	153	136.8 Å²	136.8	58%	0.577	63%	0.629	S	S	*	*	H	α-helix	trans	-79.1	-31.9	174.4	-79.2	-179.5	171.8	-175.2	-3.8	112.7	F88 W89 P90 T95 R96	F88-R92 WeakPolarHBondContact O-CD 3.43Å; F88-R92 VanDerWaalsContact O-CG 3.3Å; F88-R92 WeakPolarHBondContact O-CG 3.25Å; W89-R92 CarbonylContact O-C 3.56Å; W89-R92 WeakPolarHBondContact O-CA 3.22Å; W89-R92 WeakPolarHBondContact O-CB 3.36Å; W89-R92 PolarHBondContact O-N 2.65Å; P90-R92 VanDerWaalsContact C-N 3.29Å; P90-R92 PolarHBondContact O-N 3.03Å; R92-T95 WeakPolarHBondContact CA-OG1 3.44Å; R92-T95 PolarHBondContact O-OG1 3.47Å; R92-R96 WeakPolarHBondContact O-CB 3.35Å; R92-R96 VanDerWaalsContact O-CG 3.25Å; R92-R96 WeakPolarHBondContact O-CG 3.47Å; R92-R96 PolarHBondContact O-N 2.85Å; R92-R96 VanDerWaalsContact O-N 3.17Å
93	L	52.4	Low	45.9	Very low	86 Å²	86	130.6 Å²	130.6	45%	0.45	61%	0.61	S	S	.	*	H	α-helix	trans	-68.9	-48.2	172.3	-157.5	79	0	0	0	110.3	W89 P90 T95 R96 L97	W89-L93 HydrophobicContact CH2-CD1 4.22Å; W89-L93 HydrophobicContact CZ3-CD1 3.92Å; W89-L93 PolarHBondContact O-N 2.86Å; P90-L93 PolarHBondContact O-N 3.49Å; L93-T95 PolarHBondContact O-N 3.19Å; L93-R96 PolarHBondContact O-N 3.33Å; L93-L97 HydrophobicContact CG-CD1 4.41Å; L93-L97 PolarHBondContact O-N 2.95Å
94	A	48.9	Very low	46.7	Very low	49 Å²	49	127.2 Å²	127.2	41%	0.405	60%	0.597	S	S	.	*	H	α-helix	trans	-58.8	-44.2	176.5	0	0	0	0	0	112.7	P90 R96 L97 L98	P90-A94 WeakPolarHBondContact O-CB 3.34Å; P90-A94 PolarHBondContact O-N 2.77Å; A94-R96 VanDerWaalsContact C-N 3.28Å; A94-R96 PolarHBondContact O-N 3.11Å; A94-L97 PolarHBondContact O-N 2.98Å; A94-L98 WeakPolarHBondContact O-CB 3.43Å; A94-L98 VanDerWaalsContact O-CG 3.32Å; A94-L98 WeakPolarHBondContact O-CG 3.33Å; A94-L98 PolarHBondContact O-N 2.93Å
95	T	46.2	Very low	47	Very low	83 Å²	83	127.6 Å²	127.6	51%	0.509	59%	0.593	S	S	.	*	H	α-helix	trans	-71.4	-17.4	175.9	47.1	0	0	0	0	114.2	A91 R92 L93	A91-T95 WeakPolarHBondContact O-CB 3.37Å; A91-T95 WeakPolarHBondContact O-CG2 3.29Å; A91-T95 PolarHBondContact O-N 3.24Å; A91-T95 VanDerWaalsContact O-N 3.12Å; A91-T95 PolarHBondContact O-OG1 2.96Å; R92-T95 WeakPolarHBondContact CA-OG1 3.44Å; R92-T95 PolarHBondContact O-OG1 3.47Å; L93-T95 PolarHBondContact O-N 3.19Å
96	R	48.3	Very low	47.8	Very low	187 Å²	187	118 Å²	118	71%	0.706	57%	0.57	S	S	*	*	H	α-helix	trans	-83.7	-41.4	169.8	-75.6	175.3	176.5	-155.1	-3	112.1	R92 L93 A94 L98 K99	R92-R96 WeakPolarHBondContact O-CB 3.35Å; R92-R96 VanDerWaalsContact O-CG 3.25Å; R92-R96 WeakPolarHBondContact O-CG 3.47Å; R92-R96 PolarHBondContact O-N 2.85Å; R92-R96 VanDerWaalsContact O-N 3.17Å; L93-R96 PolarHBondContact O-N 3.33Å; A94-R96 VanDerWaalsContact C-N 3.28Å; A94-R96 PolarHBondContact O-N 3.11Å; R96-L98 VanDerWaalsContact C-N 3.28Å; R96-L98 PolarHBondContact O-N 2.99Å; R96-K99 WeakPolarHBondContact O-CB 3.46Å; R96-K99 PolarHBondContact O-N 3Å
97	L	52.4	Low	48	Very low	106 Å²	106	110.3 Å²	110.3	56%	0.555	55%	0.551	S	S	*	*	H	α-helix	trans	-62.4	-35.1	171.8	-70.1	168.5	0	0	0	111.9	L93 A94 K99 L100	L93-L97 HydrophobicContact CG-CD1 4.41Å; L93-L97 PolarHBondContact O-N 2.95Å; A94-L97 PolarHBondContact O-N 2.98Å; L97-K99 PolarHBondContact O-N 3.37Å; L97-L100 HydrophobicContact CD2-CD1 4.47Å; L97-L100 VanDerWaalsContact O-CB 3.22Å; L97-L100 WeakPolarHBondContact O-CB 3.35Å; L97-L100 PolarHBondContact O-N 3.21Å; L97-L100 VanDerWaalsContact O-N 3.07Å
98	L	49.2	Very low	48.7	Very low	83 Å²	83	107 Å²	107	44%	0.435	55%	0.545	S	S	.	.	H	α-helix	trans	-64.5	-19.3	171.2	-77.3	167.3	0	0	0	114	A94 R96 R101 Y102	A94-L98 WeakPolarHBondContact O-CB 3.43Å; A94-L98 VanDerWaalsContact O-CG 3.32Å; A94-L98 WeakPolarHBondContact O-CG 3.33Å; A94-L98 PolarHBondContact O-N 2.93Å; R96-L98 VanDerWaalsContact C-N 3.28Å; R96-L98 PolarHBondContact O-N 2.99Å; L98-R101 WeakPolarHBondContact O-CB 3.28Å; L98-Y102 WeakPolarHBondContact O-CD2 3.34Å
99	K	45.9	Very low	48.6	Very low	153 Å²	153	106.3 Å²	106.3	67%	0.665	55%	0.553	S	S	*	*	H	α-helix	trans	-76.9	-30	170	-70.3	-170.6	172.7	-165.5	0	112.7	R96 L97 R101 Y102 L103	R96-K99 WeakPolarHBondContact O-CB 3.46Å; R96-K99 PolarHBondContact O-N 3Å; L97-K99 PolarHBondContact O-N 3.37Å; K99-R101 PolarHBondContact O-N 2.67Å; K99-Y102 PolarHBondContact O-N 2.87Å; K99-L103 PolarHBondContact O-N 3.46Å
100	L	50.7	Low	48.5	Very low	80 Å²	80	99.8 Å²	99.8	42%	0.419	54%	0.537	S	S	.	.	H	α-helix	trans	-60.7	-37.3	175	-127.5	156.4	0	0	0	110.9	L97 Y102 L103 I104	L97-L100 HydrophobicContact CD2-CD1 4.47Å; L97-L100 VanDerWaalsContact O-CB 3.22Å; L97-L100 WeakPolarHBondContact O-CB 3.35Å; L97-L100 PolarHBondContact O-N 3.21Å; L97-L100 VanDerWaalsContact O-N 3.07Å; L100-Y102 PolarHBondContact O-N 3.29Å; L100-L103 WeakPolarHBondContact O-CB 3.33Å; L100-L103 PolarHBondContact O-N 3.18Å; L100-I104 HydrophobicContact CD2-CD1 4.41Å; L100-I104 PolarHBondContact O-N 3.4Å
101	R	46.5	Very low	48.1	Very low	104 Å²	104	98.1 Å²	98.1	39%	0.392	54%	0.539	S	S	.	.	H	α-helix	trans	-56.6	-43.8	169.8	-173.1	-171.2	-173.5	177.6	7.2	113.1	L98 K99 L103 L105 W833	L98-R101 WeakPolarHBondContact O-CB 3.28Å; K99-R101 PolarHBondContact O-N 2.67Å; R101-L103 VanDerWaalsContact C-N 3.35Å; R101-L105 HydrophobicContact CG-CD1 4.45Å; R101-L105 PolarHBondContact O-N 2.94Å; R101-W833 HydrophobicContact CG-CZ2 4.11Å; R101-W833 VanDerWaalsContact CZ-CZ2 3.49Å; R101-W833 VanDerWaalsContact NE-CZ2 3.28Å
102	Y	48.5	Very low	48.2	Very low	181 Å²	181	98.6 Å²	98.6	71%	0.71	55%	0.548	S	S	*	.	H	α-helix	trans	-72	-28.1	177.6	-83.9	-81	0	0	0	112.7	L98 K99 L100 G106	L98-Y102 WeakPolarHBondContact O-CD2 3.34Å; K99-Y102 PolarHBondContact O-N 2.87Å; L100-Y102 PolarHBondContact O-N 3.29Å; Y102-G106 PolarHBondContact O-N 3.15Å
103	L	52.2	Low	48.2	Very low	96 Å²	96	101.6 Å²	101.6	50%	0.503	56%	0.561	S	S	.	*	H	α-helix	trans	-64.4	-47.6	175.8	-141.4	88.5	0	0	0	111.1	K99 L100 R101 G106 S107	K99-L103 PolarHBondContact O-N 3.46Å; L100-L103 WeakPolarHBondContact O-CB 3.33Å; L100-L103 PolarHBondContact O-N 3.18Å; R101-L103 VanDerWaalsContact C-N 3.35Å; L103-G106 WeakPolarHBondContact O-CA 3.46Å; L103-G106 PolarHBondContact O-N 3.15Å; L103-G106 VanDerWaalsContact O-N 3.1Å; L103-S107 PolarHBondContact O-N 3.45Å; L103-S107 PolarHBondContact O-OG 3.23Å
104	I	51.8	Low	48.2	Very low	113 Å²	113	101.6 Å²	101.6	58%	0.579	56%	0.564	S	S	*	*	H	α-helix	trans	-65.9	-39.6	-179	-62.6	169.9	0	0	0	111.4	L100 G106 S107 A108	L100-I104 HydrophobicContact CD2-CD1 4.41Å; L100-I104 PolarHBondContact O-N 3.4Å; I104-G106 VanDerWaalsContact C-N 3.34Å; I104-S107 WeakPolarHBondContact CA-OG 3.49Å; I104-S107 PolarHBondContact O-OG 2.98Å; I104-A108 PolarHBondContact O-N 3.01Å
105	L	48.1	Very low	48.1	Very low	111 Å²	111	101 Å²	101	58%	0.581	56%	0.56	S	S	*	*	H	α-helix	trans	-67.1	-32.1	171.6	-94.9	145.5	0	0	0	112.9	R101	R101-L105 HydrophobicContact CG-CD1 4.45Å; R101-L105 PolarHBondContact O-N 2.94Å
106	G	44.6	Very low	48.1	Very low	43 Å²	43	104.2 Å²	104.2	44%	0.443	57%	0.567	S	S	.	*	H	α-helix	trans	-69.2	-41.5	174.6	0	0	0	0	0	113.2	Y102 L103 I104 A108 V109 G110	Y102-G106 PolarHBondContact O-N 3.15Å; L103-G106 WeakPolarHBondContact O-CA 3.46Å; L103-G106 PolarHBondContact O-N 3.15Å; L103-G106 VanDerWaalsContact O-N 3.1Å; I104-G106 VanDerWaalsContact C-N 3.34Å; G106-A108 PolarHBondContact O-N 3.16Å; G106-V109 PolarHBondContact O-N 2.81Å; G106-G110 PolarHBondContact O-N 3.17Å
107	S	47.8	Very low	48.2	Very low	67 Å²	67	102.2 Å²	102.2	47%	0.469	56%	0.563	S	S	.	*	H	α-helix	trans	-66.4	-16.8	176.7	46.3	0	0	0	0	114.3	L103 I104 V109	L103-S107 PolarHBondContact O-N 3.45Å; L103-S107 PolarHBondContact O-OG 3.23Å; I104-S107 WeakPolarHBondContact CA-OG 3.49Å; I104-S107 PolarHBondContact O-OG 2.98Å; S107-V109 VanDerWaalsContact C-N 3.29Å
108	A	49.3	Very low	48.2	Very low	83 Å²	83	100 Å²	100	69%	0.686	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-10.1	175.3	0	0	0	0	0	113.8	I104 G106	I104-A108 PolarHBondContact O-N 3.01Å; G106-A108 PolarHBondContact O-N 3.16Å
109	V	48.1	Very low	48.3	Very low	138 Å²	138	101.6 Å²	101.6	84%	0.836	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.3	-21.5	-174.4	-173.3	0	0	0	0	112.6	G106 S107	G106-V109 PolarHBondContact O-N 2.81Å; S107-V109 VanDerWaalsContact C-N 3.29Å
110	G	46.2	Very low	48.4	Very low	29 Å²	29	97.7 Å²	97.7	30%	0.299	54%	0.544	S	S	.	.	S	Bend	trans	-112.3	122.4	174.1	0	0	0	0	0	112.3	G106	G106-G110 PolarHBondContact O-N 3.17Å
111	G	43	Very low	48.4	Very low	66 Å²	66	99.4 Å²	99.4	68%	0.68	55%	0.55	S	S	*	.			trans	-56.3	147.5	-178.9	0	0	0	0	0	114.1	Y113 T114	G111-Y113 PolarHBondContact O-N 3.11Å; G111-T114 PolarHBondContact O-N 3.3Å; G111-T114 PolarHBondContact O-OG1 3.1Å
112	G	45.4	Very low	48.8	Very low	59 Å²	59	100.8 Å²	100.8	61%	0.608	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-2.7	-156.8	0	0	0	0	0	119.6	T114 A115	G112-T114 VanDerWaalsContact C-N 3.31Å; G112-T114 PolarHBondContact O-N 3.16Å; G112-A115 PolarHBondContact O-N 3.25Å
113	Y	46.6	Very low	48.6	Very low	217 Å²	217	98.6 Å²	98.6	85%	0.851	55%	0.549	S	S	*	.	H	α-helix	trans	-65	-33.7	174.9	-165.5	-94.7	0	0	0	112.6	G111	G111-Y113 PolarHBondContact O-N 3.11Å
114	T	52.7	Low	48.2	Very low	85 Å²	85	100.5 Å²	100.5	52%	0.521	56%	0.56	S	S	.	*	H	α-helix	trans	-72.5	-38	174.8	47.7	0	0	0	0	112.4	G111 G112 K116 K117 T118	G111-T114 PolarHBondContact O-N 3.3Å; G111-T114 PolarHBondContact O-OG1 3.1Å; G112-T114 VanDerWaalsContact C-N 3.31Å; G112-T114 PolarHBondContact O-N 3.16Å; T114-K116 PolarHBondContact O-N 3.1Å; T114-K117 PolarHBondContact O-N 3.33Å; T114-T118 PolarHBondContact O-N 3.41Å; T114-T118 VanDerWaalsContact O-N 3.13Å; T114-T118 PolarHBondContact O-OG1 2.97Å
115	A	47.4	Very low	48	Very low	38 Å²	38	102.8 Å²	102.8	31%	0.314	57%	0.57	S	S	.	*	H	α-helix	trans	-57.2	-44.8	-175.9	0	0	0	0	0	112.6	G112 T118 F119	G112-A115 PolarHBondContact O-N 3.25Å; A115-T118 WeakPolarHBondContact CA-OG1 3.42Å; A115-T118 PolarHBondContact O-N 3.24Å; A115-T118 PolarHBondContact O-OG1 2.85Å; A115-F119 WeakPolarHBondContact O-CB 3.49Å; A115-F119 PolarHBondContact O-N 3.43Å
116	K	46.4	Very low	47.7	Very low	149 Å²	149	101.6 Å²	101.6	65%	0.648	56%	0.564	S	S	*	*	H	α-helix	trans	-58	-51.5	178.1	-175.1	175.4	-179.6	-179.6	0	111.8	T114 T118 F119 D120	T114-K116 PolarHBondContact O-N 3.1Å; K116-T118 VanDerWaalsContact C-N 3.28Å; K116-T118 PolarHBondContact O-N 3.06Å; K116-F119 WeakPolarHBondContact O-CB 3.46Å; K116-F119 PolarHBondContact O-N 3.34Å; K116-D120 PolarHBondContact O-N 3.35Å
117	K	49.8	Very low	47.5	Very low	145 Å²	145	104 Å²	104	63%	0.63	57%	0.571	S	S	*	*	H	α-helix	trans	-62.5	-33.9	-179.4	-168	170.4	-175.9	173.7	0	112.6	T114 Q121	T114-K117 PolarHBondContact O-N 3.33Å; K117-Q121 WeakPolarHBondContact O-CB 3.13Å; K117-Q121 VanDerWaalsContact O-CG 3.27Å; K117-Q121 WeakPolarHBondContact O-CG 3.18Å; K117-Q121 PolarHBondContact O-N 3.34Å
118	T	51.9	Low	47.4	Very low	59 Å²	59	107.3 Å²	107.3	36%	0.362	58%	0.584	S	S	.	*	H	α-helix	trans	-76.2	-26.5	173.6	50.5	0	0	0	0	114.1	T114 A115 K116 W122	T114-T118 PolarHBondContact O-N 3.41Å; T114-T118 VanDerWaalsContact O-N 3.13Å; T114-T118 PolarHBondContact O-OG1 2.97Å; A115-T118 WeakPolarHBondContact CA-OG1 3.42Å; A115-T118 PolarHBondContact O-N 3.24Å; A115-T118 PolarHBondContact O-OG1 2.85Å; K116-T118 VanDerWaalsContact C-N 3.28Å; K116-T118 PolarHBondContact O-N 3.06Å; T118-W122 VanDerWaalsContact O-CB 3.28Å; T118-W122 WeakPolarHBondContact O-CB 3.44Å; T118-W122 PolarHBondContact O-N 2.92Å; T118-W122 VanDerWaalsContact O-N 3.07Å
119	F	51.8	Low	47.5	Very low	118 Å²	118	108.2 Å²	108.2	52%	0.518	58%	0.577	S	S	.	*	H	α-helix	trans	-73.1	-46.5	174.5	177.7	-96.1	0	0	0	111.1	A115 K116 Q121 W122 K123	A115-F119 WeakPolarHBondContact O-CB 3.49Å; A115-F119 PolarHBondContact O-N 3.43Å; K116-F119 WeakPolarHBondContact O-CB 3.46Å; K116-F119 PolarHBondContact O-N 3.34Å; F119-Q121 PolarHBondContact O-N 3.32Å; F119-W122 HydrophobicContact CD2-CE3 4.36Å; F119-W122 HydrophobicContact CE2-CE3 4.28Å; F119-W122 HydrophobicContact CE2-CZ3 4.27Å; F119-W122 WeakPolarHBondContact O-CB 3.26Å; F119-W122 PolarHBondContact O-N 3.48Å; F119-K123 PolarHBondContact O-N 3.06Å
120	D	46.7	Very low	47.5	Very low	71 Å²	71	105.5 Å²	105.5	38%	0.38	56%	0.564	S	S	.	*	H	α-helix	trans	-60.3	-46.7	176.2	-61.6	-33.3	0	0	0	110.2	K116 W122 K123 D124	K116-D120 PolarHBondContact O-N 3.35Å; D120-W122 VanDerWaalsContact C-N 3.25Å; D120-W122 PolarHBondContact O-N 3.28Å; D120-K123 WeakPolarHBondContact O-CB 3.38Å; D120-K123 PolarHBondContact O-N 2.58Å; D120-D124 PolarHBondContact O-N 2.85Å
121	Q	51.1	Low	47.3	Very low	115 Å²	115	111.9 Å²	111.9	54%	0.537	59%	0.586	S	S	.	*	H	α-helix	trans	-63.8	-23.4	173.3	-75.1	-176.8	-28.9	0	0	114.7	K117 F119 M125	K117-Q121 WeakPolarHBondContact O-CB 3.13Å; K117-Q121 VanDerWaalsContact O-CG 3.27Å; K117-Q121 WeakPolarHBondContact O-CG 3.18Å; K117-Q121 PolarHBondContact O-N 3.34Å; F119-Q121 PolarHBondContact O-N 3.32Å; Q121-M125 VanDerWaalsContact O-CG 3.32Å; Q121-M125 WeakPolarHBondContact O-CG 3.44Å
122	W	54.6	Low	47.5	Very low	133 Å²	133	114.9 Å²	114.9	50%	0.504	58%	0.578	S	S	.	*	H	α-helix	trans	-80.7	-39.8	174.6	174.8	76.9	0	0	0	111.4	T118 F119 D120 D124 M125 I126	T118-W122 VanDerWaalsContact O-CB 3.28Å; T118-W122 WeakPolarHBondContact O-CB 3.44Å; T118-W122 PolarHBondContact O-N 2.92Å; T118-W122 VanDerWaalsContact O-N 3.07Å; F119-W122 HydrophobicContact CD2-CE3 4.36Å; F119-W122 HydrophobicContact CE2-CE3 4.28Å; F119-W122 HydrophobicContact CE2-CZ3 4.27Å; F119-W122 WeakPolarHBondContact O-CB 3.26Å; F119-W122 PolarHBondContact O-N 3.48Å; D120-W122 VanDerWaalsContact C-N 3.25Å; D120-W122 PolarHBondContact O-N 3.28Å; W122-D124 VanDerWaalsContact C-N 3.35Å; W122-D124 PolarHBondContact O-N 2.84Å; W122-M125 PolarHBondContact O-N 2.6Å; W122-M125 VanDerWaalsContact O-N 3.11Å; W122-I126 HydrophobicContact CE3-CD1 4.41Å; W122-I126 HydrophobicContact CH2-CD1 3.89Å; W122-I126 HydrophobicContact CZ2-CD1 4Å; W122-I126 HydrophobicContact CZ3-CD1 4.1Å
123	K	44.5	Very low	47.2	Very low	135 Å²	135	121 Å²	121	59%	0.587	59%	0.587	S	S	*	*	H	α-helix	trans	-58.4	-45.8	174.6	-174.2	178.1	179	178.9	0	111.3	F119 D120 M125 I126	F119-K123 PolarHBondContact O-N 3.06Å; D120-K123 WeakPolarHBondContact O-CB 3.38Å; D120-K123 PolarHBondContact O-N 2.58Å; K123-M125 PolarHBondContact O-N 2.83Å; K123-I126 PolarHBondContact O-N 3.14Å
124	D	45.5	Very low	47	Very low	137 Å²	137	120.6 Å²	120.6	73%	0.733	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-8.4	178	-64.9	-15	0	0	0	113.9	D120 W122	D120-D124 PolarHBondContact O-N 2.85Å; W122-D124 VanDerWaalsContact C-N 3.35Å; W122-D124 PolarHBondContact O-N 2.84Å
125	M	45.8	Very low	46.7	Very low	160 Å²	160	121.6 Å²	121.6	79%	0.788	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	5.3	177.8	-74.8	-164.5	79.4	0	0	114.3	Q121 W122 K123	Q121-M125 VanDerWaalsContact O-CG 3.32Å; Q121-M125 WeakPolarHBondContact O-CG 3.44Å; W122-M125 PolarHBondContact O-N 2.6Å; W122-M125 VanDerWaalsContact O-N 3.11Å; K123-M125 PolarHBondContact O-N 2.83Å
126	I	42.4	Very low	46	Very low	87 Å²	87	123.1 Å²	123.1	45%	0.446	59%	0.591	S	S	.	*			trans	-89.9	115.1	171.3	-61.2	173.6	0	0	0	108.2	W122 K123	W122-I126 HydrophobicContact CE3-CD1 4.41Å; W122-I126 HydrophobicContact CH2-CD1 3.89Å; W122-I126 HydrophobicContact CZ2-CD1 4Å; W122-I126 HydrophobicContact CZ3-CD1 4.1Å; K123-I126 PolarHBondContact O-N 3.14Å
127	P	41.4	Very low	45.6	Very low	92 Å²	92	120.4 Å²	120.4	60%	0.597	59%	0.588	S	S	*	*			trans	-69.1	153.5	170.6	31.5	-34.6	0	0	0	110.1	L129	P127-L129 PolarHBondContact O-N 3.34Å
128	D	45.1	Very low	44.9	Very low	138 Å²	138	119.4 Å²	119.4	74%	0.738	59%	0.59	S	S	*	*			trans	-58.1	127	172.9	-168.8	-26.1	0	0	0	110.1	S130	D128-S130 VanDerWaalsContact OD1-CB 3.3Å; D128-S130 WeakPolarHBondContact OD1-CB 3.3Å; D128-S130 PolarHBondContact OD1-N 3.35Å; D128-S130 PolarHBondContact OD1-OG 2.91Å
129	L	50.4	Low	44.2	Very low	102 Å²	102	122.1 Å²	122.1	53%	0.534	60%	0.601	S	S	.	*			trans	-112.7	18	-172.4	-81.3	167.9	0	0	0	113	P127 E131 Y132	P127-L129 PolarHBondContact O-N 3.34Å; L129-E131 PolarHBondContact O-N 3.05Å; L129-E131 VanDerWaalsContact O-N 3.07Å; L129-Y132 HydrophobicContact CD2-CD2 3.82Å; L129-Y132 HydrophobicContact CD2-CG 4.32Å; L129-Y132 PolarHBondContact O-N 3.38Å
130	S	48.5	Very low	43.6	Very low	81 Å²	81	120.7 Å²	120.7	57%	0.566	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.5	-28.5	176.9	39.6	0	0	0	0	115	D128	D128-S130 VanDerWaalsContact OD1-CB 3.3Å; D128-S130 WeakPolarHBondContact OD1-CB 3.3Å; D128-S130 PolarHBondContact OD1-N 3.35Å; D128-S130 PolarHBondContact OD1-OG 2.91Å
131	E	41.4	Very low	43.4	Very low	162 Å²	162	126.2 Å²	126.2	76%	0.757	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-11.9	177.4	-64	-167.9	142.4	0	0	115.4	L129	L129-E131 PolarHBondContact O-N 3.05Å; L129-E131 VanDerWaalsContact O-N 3.07Å
132	Y	49	Very low	42.8	Very low	130 Å²	130	126.9 Å²	126.9	51%	0.51	62%	0.621	S	S	.	*			trans	-107.9	28.8	-169.3	-70.5	-82.1	0	0	0	114.9	L129 W134 I135	L129-Y132 HydrophobicContact CD2-CD2 3.82Å; L129-Y132 HydrophobicContact CD2-CG 4.32Å; L129-Y132 PolarHBondContact O-N 3.38Å; Y132-W134 PolarHBondContact O-N 2.95Å; Y132-I135 PolarHBondContact O-N 3.44Å
133	K	37.2	Very low	42	Very low	187 Å²	187	125 Å²	125	81%	0.813	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-3.1	-176.7	-99.7	-173.1	173.7	-174.9	0	117.7
134	W	43.6	Very low	41.4	Very low	208 Å²	208	125.2 Å²	125.2	79%	0.788	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.7	5.1	-173.3	67.5	-86.6	0	0	0	115.3	Y132	Y132-W134 PolarHBondContact O-N 2.95Å
135	I	45.7	Very low	41.3	Very low	106 Å²	106	127.1 Å²	127.1	54%	0.544	63%	0.631	S	S	.	*	S	Bend	trans	-120.2	-5.3	-175.7	-53.2	179	0	0	0	112.5	Y132	Y132-I135 PolarHBondContact O-N 3.44Å
136	V	33.9	Very low	41	Very low	70 Å²	70	129.6 Å²	129.6	42%	0.424	63%	0.633	S	S	.	*	S	Bend	trans	-107	121.6	-178.1	-176.6	0	0	0	0	109.7	V140	V136-V140 HydrophobicContact CG1-CB 3.79Å; V136-V140 HydrophobicContact CG1-CG1 4.3Å; V136-V140 HydrophobicContact CG1-CG2 3.58Å
137	P	36.4	Very low	40.6	Very low	92 Å²	92	129 Å²	129	60%	0.597	63%	0.631	S	S	*	*			trans	-64.7	142.2	171.2	-21.3	33.7	0	0	0	112.1	I139 V140	P137-I139 PolarHBondContact O-N 2.95Å; P137-V140 PolarHBondContact O-N 3.49Å
138	D	36.3	Very low	40.4	Very low	124 Å²	124	128.2 Å²	128.2	66%	0.663	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-62.3	-19.1	-161.6	-54.3	-76.2	0	0	0	115.9	V140 W141 E142	D138-V140 PolarHBondContact O-N 2.88Å; D138-W141 PolarHBondContact O-N 2.88Å; D138-E142 PolarHBondContact O-N 3.19Å
139	I	37.6	Very low	39.9	Very low	116 Å²	116	127.5 Å²	127.5	60%	0.595	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-49.5	-25.6	175.5	-59.1	172.4	0	0	0	112.9	P137 W141 I143	P137-I139 PolarHBondContact O-N 2.95Å; I139-W141 VanDerWaalsContact C-N 3.3Å; I139-W141 PolarHBondContact O-N 2.92Å; I139-I143 WeakPolarHBondContact O-CD1 3.24Å; I139-I143 WeakPolarHBondContact O-CG1 3.46Å
140	V	39.5	Very low	39.3	Very low	89 Å²	89	127.7 Å²	127.7	54%	0.539	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-70.7	-23.5	178.3	179.5	0	0	0	0	113	V136 P137 D138	V136-V140 HydrophobicContact CG1-CB 3.79Å; V136-V140 HydrophobicContact CG1-CG1 4.3Å; V136-V140 HydrophobicContact CG1-CG2 3.58Å; P137-V140 PolarHBondContact O-N 3.49Å; D138-V140 PolarHBondContact O-N 2.88Å
141	W	42.2	Very low	38.9	Very low	187 Å²	187	130.7 Å²	130.7	71%	0.708	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-23.1	-177.7	-61.3	106.2	0	0	0	113.7	D138 I139 I143	D138-W141 PolarHBondContact O-N 2.88Å; I139-W141 VanDerWaalsContact C-N 3.3Å; I139-W141 PolarHBondContact O-N 2.92Å; W141-I143 PolarHBondContact O-N 3.26Å
142	E	38.7	Very low	38.6	Very low	129 Å²	129	127.2 Å²	127.2	60%	0.603	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-12.4	175.3	-64.5	-179.4	136.3	0	0	114	D138	D138-E142 PolarHBondContact O-N 3.19Å
143	I	36.8	Very low	38.2	Very low	94 Å²	94	130.5 Å²	130.5	48%	0.482	61%	0.61	S	S	.	*	H	α-helix	trans	-76.6	-22.1	-177.2	-67.2	170.5	0	0	0	112.3	I139 W141 I147	I139-I143 WeakPolarHBondContact O-CD1 3.24Å; I139-I143 WeakPolarHBondContact O-CG1 3.46Å; W141-I143 PolarHBondContact O-N 3.26Å; I143-I147 HydrophobicContact CG2-CD1 4.44Å
144	D	32.9	Very low	38.4	Very low	138 Å²	138	129.1 Å²	129.1	74%	0.738	60%	0.604	S	S	*	*	H	α-helix	trans	-82.9	-17.1	-174.6	-138.2	33.2	0	0	0	113.3
145	E	41.9	Very low	38.4	Very low	177 Å²	177	123.1 Å²	123.1	83%	0.827	60%	0.598	S	S	*	*	H	α-helix	trans	-90.5	-19.5	177	-76.2	-166.2	139	0	0	114.4
146	Y	39.8	Very low	37.9	Very low	212 Å²	212	124 Å²	124	83%	0.831	60%	0.604	S	S	*	*	H	α-helix	trans	-110.7	-2.6	-172.2	-97.6	-83.6	0	0	0	116
147	I	34.4	Very low	37.9	Very low	76 Å²	76	125.4 Å²	125.4	39%	0.39	61%	0.614	S	S	.	*			trans	-128.3	92.9	176.7	-48.8	-178.9	0	0	0	111	I143 F149 I152	I143-I147 HydrophobicContact CG2-CD1 4.44Å; I147-F149 VanDerWaalsContact C-N 3.3Å; I147-F149 HydrophobicContact CB-CD2 4.19Å; I147-F149 HydrophobicContact CB-CE2 3.72Å; I147-F149 HydrophobicContact CB-CZ 4.04Å; I147-F149 HydrophobicContact CD1-CZ 4.39Å; I147-F149 HydrophobicContact CG2-CD1 4.08Å; I147-F149 HydrophobicContact CG2-CD2 3.9Å; I147-F149 HydrophobicContact CG2-CE1 3.74Å; I147-F149 HydrophobicContact CG2-CE2 3.54Å; I147-F149 HydrophobicContact CG2-CG 4.16Å; I147-F149 HydrophobicContact CG2-CZ 3.46Å; I147-F149 VanDerWaalsContact CG2-CZ 3.46Å; I147-F149 WeakPolarHBondContact O-CD2 3.48Å; I147-F149 PolarHBondContact O-N 3.01Å; I147-I152 HydrophobicContact CG2-CD1 4.07Å
148	D	36.6	Very low	37.8	Very low	75 Å²	75	127.3 Å²	127.3	40%	0.401	62%	0.619	S	S	.	*			trans	-70.4	80.1	175.5	-176.4	-10.2	0	0	0	111.4	E150 K151 I152	D148-E150 PolarHBondContact O-N 3.5Å; D148-E150 VanDerWaalsContact OD1-CB 3.31Å; D148-E150 WeakPolarHBondContact OD1-CB 3.24Å; D148-E150 PolarHBondContact OD1-N 2.87Å; D148-K151 PolarHBondContact O-N 2.83Å; D148-K151 VanDerWaalsContact O-N 3.14Å; D148-K151 PolarHBondContact OD1-N 2.9Å; D148-K151 WeakPolarHBondContact OD2-CD 3.37Å; D148-K151 WeakPolarHBondContact OD2-CE 3.47Å; D148-K151 WeakPolarHBondContact OD2-CG 3.41Å; D148-K151 IonicContact OD2-NZ 3.75Å; D148-K151 PolarHBondContact OD2-NZ 3.23Å; D148-I152 PolarHBondContact O-N 3.42Å
149	F	35.6	Very low	38	Very low	122 Å²	122	126 Å²	126	54%	0.535	62%	0.62	S	S	.	*	H	α-helix	trans	-64.1	-17.5	-179.7	-72.4	-76.4	0	0	0	113.6	I147 I152 R153	I147-F149 VanDerWaalsContact C-N 3.3Å; I147-F149 HydrophobicContact CB-CD2 4.19Å; I147-F149 HydrophobicContact CB-CE2 3.72Å; I147-F149 HydrophobicContact CB-CZ 4.04Å; I147-F149 HydrophobicContact CD1-CZ 4.39Å; I147-F149 HydrophobicContact CG2-CD1 4.08Å; I147-F149 HydrophobicContact CG2-CD2 3.9Å; I147-F149 HydrophobicContact CG2-CE1 3.74Å; I147-F149 HydrophobicContact CG2-CE2 3.54Å; I147-F149 HydrophobicContact CG2-CG 4.16Å; I147-F149 HydrophobicContact CG2-CZ 3.46Å; I147-F149 VanDerWaalsContact CG2-CZ 3.46Å; I147-F149 WeakPolarHBondContact O-CD2 3.48Å; I147-F149 PolarHBondContact O-N 3.01Å; F149-I152 HydrophobicContact CD1-CD1 4.17Å; F149-R153 VanDerWaalsContact O-CB 3.27Å; F149-R153 WeakPolarHBondContact O-CB 3.43Å; F149-R153 PolarHBondContact O-N 2.84Å
150	E	37.1	Very low	38.2	Very low	107 Å²	107	128.1 Å²	128.1	50%	0.5	63%	0.627	S	S	.	*	H	α-helix	trans	-64.2	-43.2	171.3	-102.1	-86.3	130.6	0	0	111.1	D148 R153 K154	D148-E150 PolarHBondContact O-N 3.5Å; D148-E150 VanDerWaalsContact OD1-CB 3.31Å; D148-E150 WeakPolarHBondContact OD1-CB 3.24Å; D148-E150 PolarHBondContact OD1-N 2.87Å; E150-R153 PolarHBondContact O-N 3.31Å; E150-K154 WeakPolarHBondContact O-CG 3.31Å; E150-K154 PolarHBondContact O-N 3.09Å; E150-K154 WeakPolarHBondContact OE2-CE 3.04Å; E150-K154 IonicContact OE2-NZ 3.96Å; E150-K154 PolarHBondContact OE2-NZ 2.87Å
151	K	40.2	Very low	38.3	Very low	143 Å²	143	129.1 Å²	129.1	62%	0.622	63%	0.629	S	S	*	*	H	α-helix	trans	-64.3	-45.3	173.8	-78.1	-174.9	-177.2	98.2	0	112.5	D148 R153 K154 A155	D148-K151 PolarHBondContact O-N 2.83Å; D148-K151 VanDerWaalsContact O-N 3.14Å; D148-K151 PolarHBondContact OD1-N 2.9Å; D148-K151 WeakPolarHBondContact OD2-CD 3.37Å; D148-K151 WeakPolarHBondContact OD2-CE 3.47Å; D148-K151 WeakPolarHBondContact OD2-CG 3.41Å; D148-K151 IonicContact OD2-NZ 3.75Å; D148-K151 PolarHBondContact OD2-NZ 3.23Å; K151-R153 VanDerWaalsContact C-N 3.27Å; K151-R153 PolarHBondContact O-N 3.31Å; K151-K154 PolarHBondContact O-N 2.86Å; K151-K154 VanDerWaalsContact O-N 3.09Å; K151-A155 PolarHBondContact O-N 3.34Å; K151-A155 VanDerWaalsContact O-N 3.14Å
152	I	36	Very low	38	Very low	89 Å²	89	125.6 Å²	125.6	46%	0.456	62%	0.624	S	S	.	*	H	α-helix	trans	-61.4	-39.4	179.3	-59.7	175.3	0	0	0	110.4	I147 D148 F149 K154 A155	I147-I152 HydrophobicContact CG2-CD1 4.07Å; D148-I152 PolarHBondContact O-N 3.42Å; F149-I152 HydrophobicContact CD1-CD1 4.17Å; I152-K154 VanDerWaalsContact C-N 3.3Å; I152-K154 PolarHBondContact O-N 3.14Å; I152-A155 PolarHBondContact O-N 2.57Å
153	R	40.3	Very low	38.2	Very low	200 Å²	200	125.2 Å²	125.2	76%	0.755	63%	0.63	S	S	*	*	H	α-helix	trans	-67.3	-25.8	176.2	-173.8	174	179.5	176.6	-2.5	114	F149 E150 K151	F149-R153 VanDerWaalsContact O-CB 3.27Å; F149-R153 WeakPolarHBondContact O-CB 3.43Å; F149-R153 PolarHBondContact O-N 2.84Å; E150-R153 PolarHBondContact O-N 3.31Å; K151-R153 VanDerWaalsContact C-N 3.27Å; K151-R153 PolarHBondContact O-N 3.31Å
154	K	40.1	Very low	38.3	Very low	158 Å²	158	128.7 Å²	128.7	69%	0.687	64%	0.642	S	S	*	*	H	α-helix	trans	-86	-13.8	175	-76.1	163.8	174.5	159.2	0	113.7	E150 K151 I152	E150-K154 WeakPolarHBondContact O-CG 3.31Å; E150-K154 PolarHBondContact O-N 3.09Å; E150-K154 WeakPolarHBondContact OE2-CE 3.04Å; E150-K154 IonicContact OE2-NZ 3.96Å; E150-K154 PolarHBondContact OE2-NZ 2.87Å; K151-K154 PolarHBondContact O-N 2.86Å; K151-K154 VanDerWaalsContact O-N 3.09Å; I152-K154 VanDerWaalsContact C-N 3.3Å; I152-K154 PolarHBondContact O-N 3.14Å
155	A	45.3	Very low	38.6	Very low	81 Å²	81	127.2 Å²	127.2	67%	0.669	63%	0.633	S	S	*	*	S	Bend	trans	-96	-1.3	-177.6	0	0	0	0	0	114.7	K151 I152	K151-A155 PolarHBondContact O-N 3.34Å; K151-A155 VanDerWaalsContact O-N 3.14Å; I152-A155 PolarHBondContact O-N 2.57Å
156	L	33.8	Very low	38.5	Very low	126 Å²	126	122.9 Å²	122.9	66%	0.66	63%	0.628	S	S	*	*	S	Bend	trans	-104.2	122.1	178.5	-82.1	161.1	0	0	0	110.8
157	P	35.4	Very low	38.5	Very low	98 Å²	98	118 Å²	118	64%	0.636	62%	0.622	S	S	*	*			trans	-70.4	149.9	177.7	29	-34.3	0	0	0	112
158	N	33.5	Very low	38.4	Very low	133 Å²	133	118.1 Å²	118.1	71%	0.711	62%	0.623	S	S	*	*			trans	-69.8	146.9	-178.2	-71.2	-47.2	0	0	0	112.3	E160	N158-E160 PolarHBondContact O-N 2.77Å; N158-E160 VanDerWaalsContact O-N 3.08Å
159	S	40.5	Very low	38.2	Very low	96 Å²	96	121.1 Å²	121.1	67%	0.671	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	3.9	-168.7	54.3	0	0	0	0	116.4
160	E	40.9	Very low	38.3	Very low	161 Å²	161	122.3 Å²	122.3	75%	0.752	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.5	-21.9	-176.4	-63.4	-170.6	147.4	0	0	113.6	N158	N158-E160 PolarHBondContact O-N 2.77Å; N158-E160 VanDerWaalsContact O-N 3.08Å
161	D	41.8	Very low	38.1	Very low	109 Å²	109	123.9 Å²	123.9	58%	0.583	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-28.1	173.1	-67	-52	0	0	0	112.6	V163 K164	D161-V163 PolarHBondContact O-N 2.86Å; D161-K164 PolarHBondContact O-N 2.81Å
162	L	37.2	Very low	37.9	Very low	114 Å²	114	121 Å²	121	60%	0.597	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-13.8	179.4	-85.5	166.1	0	0	0	114.6
163	V	42.4	Very low	37.9	Very low	120 Å²	120	121.2 Å²	121.2	73%	0.727	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-12.8	177.7	-176	0	0	0	0	112.3	D161	D161-V163 PolarHBondContact O-N 2.86Å
164	K	39.3	Very low	37.6	Very low	168 Å²	168	118.9 Å²	118.9	73%	0.73	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-10.1	-178.3	-69.5	176.3	-176.9	163.8	0	114.8	D161	D161-K164 PolarHBondContact O-N 2.81Å
165	L	39.2	Very low	37.2	Very low	106 Å²	106	114.4 Å²	114.4	56%	0.555	63%	0.632	S	S	*	*			trans	-102.5	22.7	-174.1	-74.6	164.2	0	0	0	114.1	F169	L165-F169 WeakPolarHBondContact O-CE2 3.19Å
166	A	38.9	Very low	36.6	Very low	86 Å²	86	115.3 Å²	115.3	71%	0.711	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-31.2	-177.5	0	0	0	0	0	116.2
167	P	39.9	Very low	36.7	Very low	110 Å²	110	114.4 Å²	114.4	71%	0.714	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	44.4	-171.2	42.7	-31.7	0	0	0	114.9
168	D	33	Very low	36.6	Very low	78 Å²	78	115.7 Å²	115.7	42%	0.417	62%	0.622	S	S	.	*			trans	-145.3	12.7	175.4	-114.1	-33.4	0	0	0	115.9	D170 K171	D168-D170 VanDerWaalsContact C-N 3.33Å; D168-D170 PolarHBondContact O-N 2.93Å; D168-K171 PolarHBondContact O-N 3Å; D168-K171 WeakPolarHBondContact OD1-CD 3.49Å; D168-K171 IonicContact OD1-NZ 3.81Å; D168-K171 PolarHBondContact OD1-NZ 3.41Å; D168-K171 IonicContact OD2-NZ 2.97Å
169	F	32.9	Very low	36.5	Very low	139 Å²	139	114.1 Å²	114.1	61%	0.61	61%	0.613	S	S	*	*	H	α-helix	trans	-63.5	-31.6	-176.4	-92.6	-84.9	0	0	0	114.4	L165 K171 I172	L165-F169 WeakPolarHBondContact O-CE2 3.19Å; F169-K171 VanDerWaalsContact C-N 3.27Å; F169-K171 PolarHBondContact O-N 3.08Å; F169-I172 PolarHBondContact O-N 2.66Å
170	D	35.8	Very low	36.1	Very low	146 Å²	146	117.1 Å²	117.1	78%	0.781	61%	0.614	S	S	*	*	H	α-helix	trans	-65.5	-27.6	-178.3	-62.8	-41.9	0	0	0	113	D168	D168-D170 VanDerWaalsContact C-N 3.33Å; D168-D170 PolarHBondContact O-N 2.93Å
171	K	34.8	Very low	35.6	Very low	140 Å²	140	115 Å²	115	61%	0.609	61%	0.608	S	S	*	*	H	α-helix	trans	-78.6	-23.2	177.1	-61.7	-168.2	-169.1	109.1	0	113.5	D168 F169 V173	D168-K171 PolarHBondContact O-N 3Å; D168-K171 WeakPolarHBondContact OD1-CD 3.49Å; D168-K171 IonicContact OD1-NZ 3.81Å; D168-K171 PolarHBondContact OD1-NZ 3.41Å; D168-K171 IonicContact OD2-NZ 2.97Å; F169-K171 VanDerWaalsContact C-N 3.27Å; F169-K171 PolarHBondContact O-N 3.08Å; K171-V173 VanDerWaalsContact C-N 3.32Å
172	I	35.7	Very low	35	Very low	84 Å²	84	117.3 Å²	117.3	43%	0.431	61%	0.613	S	S	.	*	H	α-helix	trans	-73.5	-30.6	179.8	-63.2	175.2	0	0	0	110.3	F169 E174 S175 L176	F169-I172 PolarHBondContact O-N 2.66Å; I172-E174 PolarHBondContact O-N 2.86Å; I172-S175 PolarHBondContact O-N 3.24Å; I172-S175 PolarHBondContact O-OG 2.65Å; I172-L176 HydrophobicContact CG2-CD1 4.22Å; I172-L176 PolarHBondContact O-N 3.18Å
173	V	34.7	Very low	34.7	Very low	93 Å²	93	120.6 Å²	120.6	56%	0.564	62%	0.623	S	S	*	*	H	α-helix	trans	-62.6	-39.7	177.4	-179.8	0	0	0	0	112.1	K171 L176	K171-V173 VanDerWaalsContact C-N 3.32Å; V173-L176 PolarHBondContact O-N 2.96Å
174	E	34	Very low	34.2	Very low	151 Å²	151	120.4 Å²	120.4	71%	0.706	62%	0.622	S	S	*	*	H	α-helix	trans	-66.5	-38.8	175.4	-66.1	-170.1	129.1	0	0	111.9	I172 L176 N177	I172-E174 PolarHBondContact O-N 2.86Å; E174-L176 VanDerWaalsContact C-N 3.3Å; E174-L176 PolarHBondContact O-N 2.99Å; E174-N177 PolarHBondContact O-N 3.04Å
175	S	32.7	Very low	33.6	Very low	63 Å²	63	117.2 Å²	117.2	44%	0.441	62%	0.621	S	S	.	*	H	α-helix	trans	-65.8	-28.6	179.8	76.2	0	0	0	0	114	I172 L178	I172-S175 PolarHBondContact O-N 3.24Å; I172-S175 PolarHBondContact O-OG 2.65Å; S175-L178 PolarHBondContact O-N 3.28Å
176	L	33.2	Very low	33	Very low	101 Å²	101	115.1 Å²	115.1	53%	0.529	63%	0.625	S	S	.	*	H	α-helix	trans	-77.7	-21.8	-178.5	-80.2	166.2	0	0	0	113.6	I172 V173 E174 L178 L179	I172-L176 HydrophobicContact CG2-CD1 4.22Å; I172-L176 PolarHBondContact O-N 3.18Å; V173-L176 PolarHBondContact O-N 2.96Å; E174-L176 VanDerWaalsContact C-N 3.3Å; E174-L176 PolarHBondContact O-N 2.99Å; L176-L178 VanDerWaalsContact C-N 3.32Å; L176-L179 HydrophobicContact CD2-CD1 4.26Å; L176-L179 PolarHBondContact O-N 2.91Å
177	N	34.3	Very low	32.3	Very low	106 Å²	106	120.5 Å²	120.5	57%	0.567	64%	0.635	S	S	*	*	H	α-helix	trans	-67.8	-33.3	173.6	-75.2	-44.2	0	0	0	111.9	E174 L179 K180	E174-N177 PolarHBondContact O-N 3.04Å; N177-L179 PolarHBondContact O-N 3.03Å; N177-K180 WeakPolarHBondContact O-CB 3.42Å; N177-K180 PolarHBondContact O-N 2.76Å; N177-K180 VanDerWaalsContact O-N 3.14Å
178	L	34.1	Very low	31.5	Very low	126 Å²	126	125.1 Å²	125.1	66%	0.66	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-17.6	176.5	-68.9	170.5	0	0	0	113.8	S175 L176	S175-L178 PolarHBondContact O-N 3.28Å; L176-L178 VanDerWaalsContact C-N 3.32Å
179	L	31.9	Very low	31.1	Very low	100 Å²	100	129.5 Å²	129.5	52%	0.524	67%	0.666	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.6	-12.5	173.6	-88.1	163.5	0	0	0	113.4	L176 N177	L176-L179 HydrophobicContact CD2-CD1 4.26Å; L176-L179 PolarHBondContact O-N 2.91Å; N177-L179 PolarHBondContact O-N 3.03Å
180	K	31.1	Very low	30.7	Very low	159 Å²	159	129.6 Å²	129.6	69%	0.691	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-32.9	176.5	-161.5	175.5	-178.1	-177.8	0	112.3	N177 F182	N177-K180 WeakPolarHBondContact O-CB 3.42Å; N177-K180 PolarHBondContact O-N 2.76Å; N177-K180 VanDerWaalsContact O-N 3.14Å; K180-F182 VanDerWaalsContact C-N 3.28Å; K180-F182 PolarHBondContact O-N 2.75Å
181	D	30.6	Very low	30.2	Very low	116 Å²	116	127.7 Å²	127.7	62%	0.62	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-8	177.3	-64.2	-25.5	0	0	0	113.3
182	F	30.3	Very low	29.7	Very low	157 Å²	157	129.7 Å²	129.7	69%	0.689	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-5.2	-179.9	-121.4	-85	0	0	0	114.7	K180	K180-F182 VanDerWaalsContact C-N 3.28Å; K180-F182 PolarHBondContact O-N 2.75Å
183	F	30.5	Very low	29.3	Very low	184 Å²	184	132.1 Å²	132.1	81%	0.807	71%	0.706	S	S	*	*	S	Bend	trans	-117.5	8.7	-178.4	-85.8	-77.9	0	0	0	114.7
184	T	31.1	Very low	28.9	Very low	115 Å²	115	136 Å²	136	71%	0.706	72%	0.721	S	S	*	*	S	Bend	trans	-111.6	-2.4	177.2	47.2	0	0	0	0	113.8	G186	T184-G186 PolarHBondContact O-N 3.14Å
185	S	27.4	Very low	28.4	Very low	102 Å²	102	131.7 Å²	131.7	71%	0.713	72%	0.718	S	S	*	*			trans	-89.7	58	-178.5	44.1	0	0	0	0	113
186	G	25.1	Very low	28	Very low	61 Å²	61	133.8 Å²	133.8	63%	0.629	74%	0.739	S	S	*	*			trans	-116.3	-14.9	-163.5	0	0	0	0	0	119.7	T184	T184-G186 PolarHBondContact O-N 3.14Å
187	H	25.5	Very low	27.6	Very low	200 Å²	200	134 Å²	134	93%	0.926	75%	0.749	S	S	*	*			trans	-150.6	101.9	178.8	-95.9	-75.7	0	0	0	112.9
188	K	22.6	Very low	27.1	Very low	207 Å²	207	136 Å²	136	90%	0.9	76%	0.76	S	S	*	*			trans	-161.6	99.3	166.5	-142.3	-177.1	-171.5	-175.4	0	112.2
189	L	25	Very low	26.7	Very low	169 Å²	169	138 Å²	138	89%	0.885	77%	0.77	S	S	*	*			trans	-180	159.5	150.7	-105.1	156.2	0	0	0	110.9
190	V	25.2	Very low	26.4	Very low	141 Å²	141	140.4 Å²	140.4	86%	0.855	78%	0.783	S	S	*	*			trans	66.4	120.3	-164.4	-168.4	0	0	0	0	111.8
191	S	24.9	Very low	26.2	Very low	106 Å²	106	140.7 Å²	140.7	74%	0.741	79%	0.791	S	S	*	*			cis	-134.2	135.6	5.2	52.7	0	0	0	0	112.7
192	E	24.7	Very low	26	Very low	182 Å²	182	142.9 Å²	142.9	85%	0.85	80%	0.802	S	S	*	*			trans	-80.5	178.1	154.2	-72.5	-179.3	106.6	0	0	110.7
193	V	26.1	Very low	25.7	Very low	135 Å²	135	144 Å²	144	82%	0.818	81%	0.814	S	S	*	*			trans	72	74.7	170.7	-161.2	0	0	0	0	115.8
194	I	26.9	Very low	25.4	Very low	174 Å²	174	139 Å²	139	89%	0.892	82%	0.815	S	S	*	*				-123.9	126.2	109.5	-60.3	-176.3	0	0	0	106.8
195	G	23.7	Very low	25.2	Very low	61 Å²	61	139 Å²	139	63%	0.629	82%	0.82	S	S	*	*			trans	-121.1	172.4	174.4	0	0	0	0	0	111.3
196	A	24.6	Very low	25.4	Very low	107 Å²	107	140.1 Å²	140.1	88%	0.884	82%	0.824	S	S	*	*			trans	61.6	88	171.7	0	0	0	0	0	116.8
197	S	24.5	Very low	25.5	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	83%	0.831	S	S	*	*	S	Bend		-144.6	163	118.6	-148.8	0	0	0	0	110.6
198	D	23.1	Very low	25.5	Very low	147 Å²	147	140.2 Å²	140.2	79%	0.786	83%	0.829	S	S	*	*			trans	63.4	46.3	163.2	-59.3	12.6	0	0	0	117.2	L200	D198-L200 PolarHBondContact O-N 2.87Å
199	L	24.9	Very low	25.6	Very low	169 Å²	169	137.1 Å²	137.1	89%	0.885	83%	0.828	S	S	*	*			trans	-76.2	60.5	154.1	-139.6	-177	0	0	0	110.5
200	L	25.6	Very low	25.6	Very low	150 Å²	150	133.2 Å²	133.2	79%	0.785	82%	0.82	S	S	*	*			trans	-157.5	81.3	176.2	-127.4	174.4	0	0	0	114.3	D198	D198-L200 PolarHBondContact O-N 2.87Å
201	L	27.2	Very low	25.5	Very low	165 Å²	165	136.5 Å²	136.5	86%	0.864	82%	0.823	S	S	*	*			trans	-178.2	78.8	131.9	-98.2	165	0	0	0	111.1
202	L	26.1	Very low	25.9	Very low	162 Å²	162	141 Å²	141	85%	0.848	82%	0.824	S	S	*	*			trans	-70.8	123.8	157.7	-87.3	163.8	0	0	0	109.1
203	L	25.4	Very low	25.9	Very low	179 Å²	179	136.7 Å²	136.7	94%	0.937	82%	0.819	S	S	*	*			trans	171.7	137.9	142.6	-95.5	162.5	0	0	0	109.7
204	G	23.1	Very low	26.4	Very low	81 Å²	81	136.3 Å²	136.3	84%	0.835	82%	0.817	S	S	*	*			trans	119	43.3	159.7	0	0	0	0	0	119.8
205	S	27.2	Very low	26.4	Very low	115 Å²	115	135.1 Å²	135.1	80%	0.804	81%	0.813	S	S	*	*			trans	-132.8	154.6	144.8	87.4	0	0	0	0	107.8
206	P	32.3	Very low	27	Very low	125 Å²	125	141.6 Å²	141.6	81%	0.812	83%	0.826	S	S	*	*				-146.9	174.6	65.4	41	-23.7	0	0	0	116.5
207	G	26.3	Very low	27.1	Very low	75 Å²	75	139.9 Å²	139.9	77%	0.773	82%	0.819	S	S	*	*			trans	119.3	89.6	134.3	0	0	0	0	0	118.2
208	E	25.2	Very low	27.4	Very low	187 Å²	187	139.1 Å²	139.1	87%	0.874	81%	0.813	S	S	*	*			trans	-80.4	141.1	139.2	-70	-172.1	114.4	0	0	109.4
209	T	26.7	Very low	27.8	Very low	142 Å²	142	139.9 Å²	139.9	87%	0.871	81%	0.812	S	S	*	*				178	147.3	121.6	25.2	0	0	0	0	112
210	A	24.3	Very low	28	Very low	87 Å²	87	136 Å²	136	72%	0.719	80%	0.799	S	S	*	*			trans	51.1	109.4	160	0	0	0	0	0	119.7
211	F	22.2	Very low	28.2	Very low	210 Å²	210	132 Å²	132	92%	0.921	78%	0.779	S	S	*	*				-160.5	139.6	96.9	-126.4	-99.5	0	0	0	112
212	R	34.1	Very low	28.6	Very low	202 Å²	202	129.6 Å²	129.6	76%	0.762	76%	0.761	S	S	*	*			trans	-85.2	136.4	165.2	-86.6	-179.7	170	156.2	-4.2	108.9	N654	R212-N654 PolarHBondContact NH2-OD1 2.76Å
213	A	24.2	Very low	28.9	Very low	90 Å²	90	129.1 Å²	129.1	74%	0.744	75%	0.754	S	S	*	*			trans	-142.6	151.2	162.2	0	0	0	0	0	109.2
214	T	36.9	Very low	29.2	Very low	128 Å²	128	127.3 Å²	127.3	79%	0.785	74%	0.739	S	S	*	*			trans	-87.2	133.1	-173.2	47.9	0	0	0	0	112.5
215	D	27.2	Very low	29.7	Very low	149 Å²	149	131.3 Å²	131.3	80%	0.797	73%	0.729	S	S	*	*			trans	-113	104.1	164.4	-97.7	-36.3	0	0	0	109.6
216	H	36.4	Very low	30.1	Very low	196 Å²	196	133.6 Å²	133.6	91%	0.907	73%	0.725	S	S	*	*			trans	-101.3	104.4	161.1	-87.3	-67.8	0	0	0	107.9
217	G	26	Very low	30.3	Very low	72 Å²	72	129.7 Å²	129.7	74%	0.742	71%	0.708	S	S	*	*			trans	-120.5	143.1	-179.4	0	0	0	0	0	112.5
218	S	31.6	Very low	30.9	Very low	90 Å²	90	129.9 Å²	129.9	63%	0.629	69%	0.69	S	S	*	*			trans	-83.9	166.3	-172.7	52.1	0	0	0	0	114.5	S220 D221	S218-S220 PolarHBondContact O-N 3.15Å; S218-D221 PolarHBondContact O-N 2.95Å; S218-D221 VanDerWaalsContact O-N 3.17Å
219	E	30	Very low	31.4	Very low	163 Å²	163	126.3 Å²	126.3	76%	0.762	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	-21.5	-171.3	-65.3	-178.3	95.8	0	0	116.1	D221 K222	E219-D221 PolarHBondContact O-N 2.84Å; E219-K222 PolarHBondContact O-N 2.79Å
220	S	30.4	Very low	32.2	Very low	87 Å²	87	121.3 Å²	121.3	61%	0.608	65%	0.653	S	S	*	*	H	α-helix	trans	-57.3	-33	177.1	48.8	0	0	0	0	112.7	S218 H223 F224	S218-S220 PolarHBondContact O-N 3.15Å; S220-H223 PolarHBondContact O-N 3.47Å; S220-F224 PolarHBondContact O-N 2.86Å
221	D	29.4	Very low	33	Very low	68 Å²	68	123 Å²	123	36%	0.364	65%	0.646	S	S	.	*	H	α-helix	trans	-72.8	-30.1	-177.8	-144.8	63	0	0	0	112.2	S218 E219 H223 F224 R225	S218-D221 PolarHBondContact O-N 2.95Å; S218-D221 VanDerWaalsContact O-N 3.17Å; E219-D221 PolarHBondContact O-N 2.84Å; D221-H223 VanDerWaalsContact C-N 3.25Å; D221-H223 PolarHBondContact O-N 3.19Å; D221-F224 PolarHBondContact O-N 3.23Å; D221-R225 WeakPolarHBondContact O-CG 3.43Å; D221-R225 PolarHBondContact O-N 2.86Å; D221-R225 VanDerWaalsContact O-N 3.13Å; D221-R225 IonicContact OD2-CZ 2.7Å; D221-R225 IonicContact OD2-NE 2.87Å; D221-R225 PolarHBondContact OD2-NE 3.39Å; D221-R225 IonicContact OD2-NH2 3.23Å; D221-R225 PolarHBondContact OD2-NH2 2.92Å
222	K	36	Very low	33.9	Very low	114 Å²	114	118.1 Å²	118.1	50%	0.496	63%	0.629	S	S	.	*	H	α-helix	trans	-65.3	-28	172.8	-68.2	-173.2	-179.6	-179.4	0	111.9	E219 K226 E974	E219-K222 PolarHBondContact O-N 2.79Å; K222-K226 WeakPolarHBondContact O-CG 3.41Å; K222-E974 IonicContact NZ-OE1 2.58Å; K222-E974 PolarHBondContact NZ-OE1 3.03Å; K222-E974 IonicContact NZ-OE2 3.45Å
223	H	31.6	Very low	34.5	Very low	151 Å²	151	113.3 Å²	113.3	70%	0.699	62%	0.617	S	S	*	*	H	α-helix	trans	-77.8	-45.1	175.1	-106.3	87.5	0	0	0	112.4	S220 D221 R225 K226 G227	S220-H223 PolarHBondContact O-N 3.47Å; D221-H223 VanDerWaalsContact C-N 3.25Å; D221-H223 PolarHBondContact O-N 3.19Å; H223-R225 PolarHBondContact O-N 2.83Å; H223-K226 PolarHBondContact O-N 2.85Å; H223-K226 VanDerWaalsContact O-N 3.16Å; H223-G227 PolarHBondContact O-N 3.02Å
224	F	32.2	Very low	35.5	Very low	142 Å²	142	114 Å²	114	62%	0.623	61%	0.608	S	S	*	*	H	α-helix	trans	-60.9	-43.1	179.2	-171.5	-110.8	0	0	0	112	S220 D221 K226 G227 L228	S220-F224 PolarHBondContact O-N 2.86Å; D221-F224 PolarHBondContact O-N 3.23Å; F224-K226 VanDerWaalsContact C-N 3.31Å; F224-K226 PolarHBondContact O-N 2.88Å; F224-G227 PolarHBondContact O-N 2.9Å; F224-L228 HydrophobicContact CD1-CD1 3.96Å; F224-L228 HydrophobicContact CE1-CD1 3.56Å; F224-L228 HydrophobicContact CZ-CD1 4.07Å; F224-L228 PolarHBondContact O-N 3.25Å
225	R	32.6	Very low	35.9	Very low	164 Å²	164	112.5 Å²	112.5	62%	0.619	59%	0.594	S	S	*	*	H	α-helix	trans	-64.6	-29.9	176.2	-65.7	178.1	-164.2	-155.8	6.3	113.6	D221 H223 L229	D221-R225 WeakPolarHBondContact O-CG 3.43Å; D221-R225 PolarHBondContact O-N 2.86Å; D221-R225 VanDerWaalsContact O-N 3.13Å; D221-R225 IonicContact OD2-CZ 2.7Å; D221-R225 IonicContact OD2-NE 2.87Å; D221-R225 PolarHBondContact OD2-NE 3.39Å; D221-R225 IonicContact OD2-NH2 3.23Å; D221-R225 PolarHBondContact OD2-NH2 2.92Å; H223-R225 PolarHBondContact O-N 2.83Å; R225-L229 PolarHBondContact O-N 2.92Å
226	K	36.9	Very low	36.4	Very low	163 Å²	163	111.7 Å²	111.7	71%	0.709	59%	0.586	S	S	*	*	H	α-helix	trans	-70.4	-35.1	174.5	-83.6	-176.7	175.8	-178.7	0	112.9	K222 H223 F224 G230	K222-K226 WeakPolarHBondContact O-CG 3.41Å; H223-K226 PolarHBondContact O-N 2.85Å; H223-K226 VanDerWaalsContact O-N 3.16Å; F224-K226 VanDerWaalsContact C-N 3.31Å; F224-K226 PolarHBondContact O-N 2.88Å; K226-G230 PolarHBondContact O-N 3.12Å
227	G	36.3	Very low	36.9	Very low	44 Å²	44	107.7 Å²	107.7	45%	0.454	57%	0.568	S	S	.	*	H	α-helix	trans	-61.4	-52.8	171.8	0	0	0	0	0	111.6	H223 F224 L229 G230 E231	H223-G227 PolarHBondContact O-N 3.02Å; F224-G227 PolarHBondContact O-N 2.9Å; G227-L229 VanDerWaalsContact C-N 3.34Å; G227-L229 PolarHBondContact O-N 3.34Å; G227-G230 WeakPolarHBondContact O-CA 3.28Å; G227-G230 PolarHBondContact O-N 3.16Å; G227-E231 PolarHBondContact O-N 2.85Å; G227-E231 VanDerWaalsContact O-N 3.08Å
228	L	37.9	Very low	37.8	Very low	79 Å²	79	109 Å²	109	41%	0.414	56%	0.555	S	S	.	*	H	α-helix	trans	-59.7	-37.2	178.6	-82.7	162.8	0	0	0	113.8	F224 G230 L232	F224-L228 HydrophobicContact CD1-CD1 3.96Å; F224-L228 HydrophobicContact CE1-CD1 3.56Å; F224-L228 HydrophobicContact CZ-CD1 4.07Å; F224-L228 PolarHBondContact O-N 3.25Å; L228-G230 VanDerWaalsContact C-N 3.35Å; L228-L232 WeakPolarHBondContact O-CB 3.48Å; L228-L232 WeakPolarHBondContact O-CG 3.24Å; L228-L232 PolarHBondContact O-N 3.38Å
229	L	37.5	Very low	38.6	Very low	112 Å²	112	110.3 Å²	110.3	59%	0.586	55%	0.553	S	S	*	*	H	α-helix	trans	-65.8	-37.1	173.3	-112.2	84.9	0	0	0	112.4	R225 G227 L232 I233	R225-L229 PolarHBondContact O-N 2.92Å; G227-L229 VanDerWaalsContact C-N 3.34Å; G227-L229 PolarHBondContact O-N 3.34Å; L229-L232 PolarHBondContact O-N 2.9Å; L229-I233 WeakPolarHBondContact O-CD1 3.5Å; L229-I233 VanDerWaalsContact O-CG1 3.26Å; L229-I233 WeakPolarHBondContact O-CG1 3.46Å; L229-I233 PolarHBondContact O-N 3.34Å
230	G	41.8	Very low	39.1	Very low	36 Å²	36	108 Å²	108	37%	0.371	54%	0.543	S	S	.	.	H	α-helix	trans	-63.8	-44.1	176.4	0	0	0	0	0	112.5	K226 G227 L228 I233 L234	K226-G230 PolarHBondContact O-N 3.12Å; G227-G230 WeakPolarHBondContact O-CA 3.28Å; G227-G230 PolarHBondContact O-N 3.16Å; L228-G230 VanDerWaalsContact C-N 3.35Å; G230-I233 PolarHBondContact O-N 2.81Å; G230-L234 PolarHBondContact O-N 2.94Å
231	E	41.5	Very low	39.9	Very low	124 Å²	124	109.5 Å²	109.5	58%	0.579	54%	0.54	S	S	*	.	H	α-helix	trans	-66.6	-39.8	175.9	-66.8	-177.3	152.8	0	0	112.3	G227 L234 L235	G227-E231 PolarHBondContact O-N 2.85Å; G227-E231 VanDerWaalsContact O-N 3.08Å; E231-L234 PolarHBondContact O-N 2.97Å; E231-L235 WeakPolarHBondContact O-CB 3.45Å; E231-L235 WeakPolarHBondContact O-CG 3.36Å; E231-L235 PolarHBondContact O-N 3.23Å
232	L	41.8	Very low	40.8	Very low	106 Å²	106	112.8 Å²	112.8	56%	0.555	55%	0.553	S	S	*	*	H	α-helix	trans	-63.1	-40.8	174.7	-86.1	165.2	0	0	0	112.9	L228 L229 L235 Q236	L228-L232 WeakPolarHBondContact O-CB 3.48Å; L228-L232 WeakPolarHBondContact O-CG 3.24Å; L228-L232 PolarHBondContact O-N 3.38Å; L229-L232 PolarHBondContact O-N 2.9Å; L232-L235 PolarHBondContact O-N 2.83Å; L232-Q236 WeakPolarHBondContact O-CB 3.38Å; L232-Q236 PolarHBondContact O-N 3.22Å
233	I	45.9	Very low	41.3	Very low	102 Å²	102	112.1 Å²	112.1	52%	0.523	55%	0.551	S	S	.	*	H	α-helix	trans	-66	-43.1	176.4	-70.1	164.8	0	0	0	110.5	L229 G230 Q236 Q237	L229-I233 WeakPolarHBondContact O-CD1 3.5Å; L229-I233 VanDerWaalsContact O-CG1 3.26Å; L229-I233 WeakPolarHBondContact O-CG1 3.46Å; L229-I233 PolarHBondContact O-N 3.34Å; G230-I233 PolarHBondContact O-N 2.81Å; I233-Q236 PolarHBondContact O-N 3.37Å; I233-Q237 WeakPolarHBondContact O-CB 3.5Å; I233-Q237 PolarHBondContact O-N 3.01Å
234	L	45.8	Very low	42.1	Very low	105 Å²	105	109.8 Å²	109.8	55%	0.55	54%	0.541	S	S	.	.	H	α-helix	trans	-59.6	-46.5	174.8	-99.4	162.5	0	0	0	112.3	G230 E231 Q237 Q238	G230-L234 PolarHBondContact O-N 2.94Å; E231-L234 PolarHBondContact O-N 2.97Å; L234-Q237 PolarHBondContact O-N 2.78Å; L234-Q238 WeakPolarHBondContact O-CG 3.47Å; L234-Q238 PolarHBondContact O-N 2.83Å
235	L	45.4	Very low	43	Very low	95 Å²	95	107.8 Å²	107.8	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-63.9	-42.5	177.1	-75.1	167.5	0	0	0	112	E231 L232 Q237 Q238 I239	E231-L235 WeakPolarHBondContact O-CB 3.45Å; E231-L235 WeakPolarHBondContact O-CG 3.36Å; E231-L235 PolarHBondContact O-N 3.23Å; L232-L235 PolarHBondContact O-N 2.83Å; L235-Q237 VanDerWaalsContact C-N 3.34Å; L235-Q237 PolarHBondContact O-N 2.82Å; L235-Q238 PolarHBondContact O-N 3.42Å; L235-I239 WeakPolarHBondContact O-CD1 3.36Å; L235-I239 VanDerWaalsContact O-CG1 3.26Å; L235-I239 WeakPolarHBondContact O-CG1 3.37Å; L235-I239 PolarHBondContact O-N 3.16Å
236	Q	38.2	Very low	43.8	Very low	132 Å²	132	102.9 Å²	102.9	62%	0.617	53%	0.528	S	S	*	.	H	α-helix	trans	-65.8	-38	177.9	-171.9	164.7	-0.5	0	0	111.7	L232 I233 I239 Q240	L232-Q236 WeakPolarHBondContact O-CB 3.38Å; L232-Q236 PolarHBondContact O-N 3.22Å; I233-Q236 PolarHBondContact O-N 3.37Å; Q236-I239 PolarHBondContact O-N 2.92Å; Q236-Q240 WeakPolarHBondContact O-CB 3.28Å; Q236-Q240 PolarHBondContact O-N 3.41Å; Q236-Q240 VanDerWaalsContact O-N 3.08Å
237	Q	45.7	Very low	44.3	Very low	113 Å²	113	102 Å²	102	53%	0.528	52%	0.52	S	S	.	.	H	α-helix	trans	-67	-41.8	175.5	-167.1	164.7	6.2	0	0	111.9	I233 L234 L235 Q240 E241	I233-Q237 WeakPolarHBondContact O-CB 3.5Å; I233-Q237 PolarHBondContact O-N 3.01Å; L234-Q237 PolarHBondContact O-N 2.78Å; L235-Q237 VanDerWaalsContact C-N 3.34Å; L235-Q237 PolarHBondContact O-N 2.82Å; Q237-Q240 PolarHBondContact O-N 2.82Å; Q237-E241 PolarHBondContact O-N 3.45Å
238	Q	44.9	Very low	44.7	Very low	100 Å²	100	106.6 Å²	106.6	47%	0.467	52%	0.524	S	S	.	.	H	α-helix	trans	-64	-38.4	174	-75.8	179.7	-26.3	0	0	113.3	L234 L235 Q240 H242	L234-Q238 WeakPolarHBondContact O-CG 3.47Å; L234-Q238 PolarHBondContact O-N 2.83Å; L235-Q238 PolarHBondContact O-N 3.42Å; Q238-Q240 VanDerWaalsContact C-N 3.29Å; Q238-Q240 PolarHBondContact O-N 2.96Å; Q238-H242 WeakPolarHBondContact O-CB 3.39Å; Q238-H242 PolarHBondContact O-CD2 3.09Å; Q238-H242 PolarHBondContact O-N 3.02Å
239	I	48.1	Very low	45.4	Very low	116 Å²	116	106.4 Å²	106.4	60%	0.595	53%	0.533	S	S	*	.	H	α-helix	trans	-62.2	-41	173.6	-71.7	163.8	0	0	0	110.3	L235 Q236 H242 E243	L235-I239 WeakPolarHBondContact O-CD1 3.36Å; L235-I239 VanDerWaalsContact O-CG1 3.26Å; L235-I239 WeakPolarHBondContact O-CG1 3.37Å; L235-I239 PolarHBondContact O-N 3.16Å; Q236-I239 PolarHBondContact O-N 2.92Å; I239-H242 PolarHBondContact O-N 3.44Å; I239-E243 PolarHBondContact O-N 2.96Å
240	Q	41.5	Very low	45.9	Very low	116 Å²	116	105.1 Å²	105.1	54%	0.542	54%	0.539	S	S	.	.	H	α-helix	trans	-71.8	-38.8	-178	-154.9	162.5	-7.8	0	0	112.1	Q236 Q237 Q238 E243 E244	Q236-Q240 WeakPolarHBondContact O-CB 3.28Å; Q236-Q240 PolarHBondContact O-N 3.41Å; Q236-Q240 VanDerWaalsContact O-N 3.08Å; Q237-Q240 PolarHBondContact O-N 2.82Å; Q238-Q240 VanDerWaalsContact C-N 3.29Å; Q238-Q240 PolarHBondContact O-N 2.96Å; Q240-E243 PolarHBondContact O-N 3.06Å; Q240-E244 PolarHBondContact O-N 2.93Å
241	E	46.2	Very low	46	Very low	117 Å²	117	106.4 Å²	106.4	55%	0.547	55%	0.552	S	S	.	*	H	α-helix	trans	-61.5	-45	169.5	-73.3	-174.4	137.7	0	0	111.6	Q237 E243 E244 E245	Q237-E241 PolarHBondContact O-N 3.45Å; E241-E243 VanDerWaalsContact C-N 3.34Å; E241-E243 PolarHBondContact O-N 3.48Å; E241-E244 PolarHBondContact O-N 3.48Å; E241-E245 WeakPolarHBondContact O-CG 3.35Å; E241-E245 PolarHBondContact O-N 3.33Å
242	H	48.5	Very low	46.1	Very low	138 Å²	138	108.3 Å²	108.3	64%	0.639	56%	0.561	S	S	*	*	H	α-helix	trans	-63.3	-34.7	175.9	-91.8	-58.5	0	0	0	113.4	Q238 I239 A246	Q238-H242 WeakPolarHBondContact O-CB 3.39Å; Q238-H242 PolarHBondContact O-CD2 3.09Å; Q238-H242 PolarHBondContact O-N 3.02Å; I239-H242 PolarHBondContact O-N 3.44Å; H242-A246 WeakPolarHBondContact O-CB 3.45Å; H242-A246 PolarHBondContact O-N 3Å
243	E	46.5	Very low	46	Very low	99 Å²	99	114.2 Å²	114.2	46%	0.463	58%	0.578	S	S	.	*	H	α-helix	trans	-66	-40.6	172.5	-112.7	-144.5	119	0	0	112	I239 Q240 E241 A246 R247	I239-E243 PolarHBondContact O-N 2.96Å; Q240-E243 PolarHBondContact O-N 3.06Å; E241-E243 VanDerWaalsContact C-N 3.34Å; E241-E243 PolarHBondContact O-N 3.48Å; E243-A246 PolarHBondContact O-N 2.84Å; E243-R247 VanDerWaalsContact O-CG 3.26Å; E243-R247 WeakPolarHBondContact O-CG 3.17Å; E243-R247 PolarHBondContact O-N 3.47Å; E243-R247 IonicContact OE1-CZ 3.46Å; E243-R247 IonicContact OE1-NE 3.59Å; E243-R247 IonicContact OE1-NH2 3.32Å; E243-R247 PolarHBondContact OE1-NH2 2.91Å; E243-R247 IonicContact OE2-CZ 2.72Å; E243-R247 IonicContact OE2-NH2 3.14Å; E243-R247 PolarHBondContact OE2-NH2 3.11Å
244	E	48	Very low	45.8	Very low	103 Å²	103	114.9 Å²	114.9	48%	0.481	59%	0.592	S	S	.	*	H	α-helix	trans	-70.6	-34.6	175.7	-71.1	-162.5	168.4	0	0	112.9	Q240 E241 R247 R248	Q240-E244 PolarHBondContact O-N 2.93Å; E241-E244 PolarHBondContact O-N 3.48Å; E244-R247 PolarHBondContact O-N 3.1Å; E244-R248 WeakPolarHBondContact O-CB 3.13Å; E244-R248 WeakPolarHBondContact O-CG 3.45Å; E244-R248 PolarHBondContact O-N 3.4Å
245	E	51.5	Low	45.3	Very low	99 Å²	99	116.5 Å²	116.5	46%	0.463	61%	0.606	S	S	.	*	H	α-helix	trans	-63.9	-43	171.1	-62.3	-112.9	112.4	0	0	111	E241 R248 A249	E241-E245 WeakPolarHBondContact O-CG 3.35Å; E241-E245 PolarHBondContact O-N 3.33Å; E245-R248 PolarHBondContact O-N 3.24Å; E245-R248 IonicContact OE1-CZ 3.7Å; E245-R248 IonicContact OE1-NH1 2.82Å; E245-R248 PolarHBondContact OE1-NH1 2.95Å; E245-R248 IonicContact OE1-NH2 3.19Å; E245-R248 PolarHBondContact OE1-NH2 3.44Å; E245-R248 VanDerWaalsContact OE1-NH2 3.14Å; E245-A249 WeakPolarHBondContact O-CB 3.39Å; E245-A249 PolarHBondContact O-N 3.09Å
246	A	49.6	Very low	44.9	Very low	61 Å²	61	116.8 Å²	116.8	50%	0.504	62%	0.616	S	S	.	*	H	α-helix	trans	-62.6	-42.1	175.2	0	0	0	0	0	112	H242 E243 A249 A250	H242-A246 WeakPolarHBondContact O-CB 3.45Å; H242-A246 PolarHBondContact O-N 3Å; E243-A246 PolarHBondContact O-N 2.84Å; A246-A249 PolarHBondContact O-N 3.34Å; A246-A250 WeakPolarHBondContact O-CB 3.09Å; A246-A250 PolarHBondContact O-N 2.77Å
247	R	47.5	Very low	44.9	Very low	144 Å²	144	121.6 Å²	121.6	54%	0.543	63%	0.63	S	S	.	*	H	α-helix	trans	-66.4	-39.2	174.1	-68.8	169.7	-166.2	163	3.1	112.1	E243 E244 A250 G251	E243-R247 VanDerWaalsContact O-CG 3.26Å; E243-R247 WeakPolarHBondContact O-CG 3.17Å; E243-R247 PolarHBondContact O-N 3.47Å; E243-R247 IonicContact OE1-CZ 3.46Å; E243-R247 IonicContact OE1-NE 3.59Å; E243-R247 IonicContact OE1-NH2 3.32Å; E243-R247 PolarHBondContact OE1-NH2 2.91Å; E243-R247 IonicContact OE2-CZ 2.72Å; E243-R247 IonicContact OE2-NH2 3.14Å; E243-R247 PolarHBondContact OE2-NH2 3.11Å; E244-R247 PolarHBondContact O-N 3.1Å; R247-A250 PolarHBondContact O-N 2.84Å; R247-G251 PolarHBondContact O-N 2.65Å
248	R	45	Very low	44.5	Very low	142 Å²	142	120.8 Å²	120.8	54%	0.536	64%	0.642	S	S	.	*	H	α-helix	trans	-64	-43.5	173.9	-80.9	-173.1	-89.3	120.3	-6.8	111.8	E244 E245 G251	E244-R248 WeakPolarHBondContact O-CB 3.13Å; E244-R248 WeakPolarHBondContact O-CG 3.45Å; E244-R248 PolarHBondContact O-N 3.4Å; E245-R248 PolarHBondContact O-N 3.24Å; E245-R248 IonicContact OE1-CZ 3.7Å; E245-R248 IonicContact OE1-NH1 2.82Å; E245-R248 PolarHBondContact OE1-NH1 2.95Å; E245-R248 IonicContact OE1-NH2 3.19Å; E245-R248 PolarHBondContact OE1-NH2 3.44Å; E245-R248 VanDerWaalsContact OE1-NH2 3.14Å; R248-G251 PolarHBondContact O-N 3.41Å
249	A	51.5	Low	44.6	Very low	74 Å²	74	122.9 Å²	122.9	61%	0.612	65%	0.652	S	S	*	*	H	α-helix	trans	-64.5	-38.5	176.9	0	0	0	0	0	112.7	E245 A246 G251	E245-A249 WeakPolarHBondContact O-CB 3.39Å; E245-A249 PolarHBondContact O-N 3.09Å; A246-A249 PolarHBondContact O-N 3.34Å; A249-G251 PolarHBondContact O-N 3.02Å
250	A	48.7	Very low	44.3	Very low	86 Å²	86	125.6 Å²	125.6	71%	0.711	66%	0.662	S	S	*	*	H	α-helix	trans	-65.5	-22.6	174.9	0	0	0	0	0	113.6	A246 R247	A246-A250 WeakPolarHBondContact O-CB 3.09Å; A246-A250 PolarHBondContact O-N 2.77Å; R247-A250 PolarHBondContact O-N 2.84Å
251	G	44.5	Very low	44.2	Very low	63 Å²	63	130.1 Å²	130.1	65%	0.649	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-4.7	-175.7	0	0	0	0	0	116.7	R247 R248 A249	R247-G251 PolarHBondContact O-N 2.65Å; R248-G251 PolarHBondContact O-N 3.41Å; A249-G251 PolarHBondContact O-N 3.02Å
252	Q	43.9	Very low	44.1	Very low	163 Å²	163	133.9 Å²	133.9	76%	0.762	69%	0.689	S	S	*	*	S	Bend	trans	-122.4	29.2	-165.1	-71.1	-161.4	-19.9	0	0	117.3
253	Y	38.8	Very low	44	Very low	231 Å²	231	133.7 Å²	133.7	91%	0.906	69%	0.686	S	S	*	*			trans	-138.6	93.3	167.6	-88.2	-70.7	0	0	0	114.4
254	S	41.9	Very low	44.1	Very low	116 Å²	116	133.4 Å²	133.4	81%	0.811	69%	0.691	S	S	*	*			trans	-136.1	54.4	178.8	69.2	0	0	0	0	114.6
255	T	35.3	Very low	44.2	Very low	139 Å²	139	130.9 Å²	130.9	85%	0.853	69%	0.685	S	S	*	*			trans	-147.4	135.1	165.5	-20.2	0	0	0	0	114.4
256	S	37	Very low	44.5	Very low	100 Å²	100	129.4 Å²	129.4	70%	0.699	68%	0.68	S	S	*	*			trans	64.9	109.2	155.6	-145.1	0	0	0	0	121.7
257	Y	39.2	Very low	45.2	Very low	234 Å²	234	132.3 Å²	132.3	92%	0.918	68%	0.682	S	S	*	*			trans	32.4	92.5	139.5	-67.5	-87	0	0	0	121.2
258	A	36.7	Very low	46.2	Very low	95 Å²	95	130.6 Å²	130.6	79%	0.785	68%	0.68	S	S	*	*			trans	-160.7	29.5	149.2	0	0	0	0	0	114.7	Q260	A258-Q260 PolarHBondContact O-N 3.42Å
259	Q	46.8	Very low	47.3	Very low	145 Å²	145	128.2 Å²	128.2	68%	0.678	67%	0.673	S	S	*	*			trans	-84.1	105.9	-174.4	-73	-164.6	11.3	0	0	113.9	K263	Q259-K263 VanDerWaalsContact OE1-CE 3.29Å
260	Q	41.2	Very low	48.2	Very low	172 Å²	172	129.2 Å²	129.2	80%	0.804	67%	0.668	S	S	*	*	S	Bend	trans	-166.9	-37	133	-109.6	162.6	-4.5	0	0	112.9	A258 R262	A258-Q260 PolarHBondContact O-N 3.42Å; Q260-R262 PolarHBondContact O-N 2.9Å
261	K	41	Very low	49.2	Very low	211 Å²	211	128.2 Å²	128.2	92%	0.917	65%	0.65	S	S	*	*	S	Bend	trans	-77.2	-8.9	-174.2	-114.8	-177.1	-179.4	-177.6	0	116.9
262	R	43.2	Very low	50.5	Low	197 Å²	197	130.8 Å²	130.8	74%	0.743	65%	0.645	S	S	*	*	S	Bend	trans	-97.8	-27.4	177.9	-82.9	-171.9	177.5	169.2	-1.4	115	Q260 V264 S265 D266	Q260-R262 PolarHBondContact O-N 2.9Å; R262-V264 PolarHBondContact O-N 3.1Å; R262-S265 PolarHBondContact O-N 3.33Å; R262-D266 PolarHBondContact O-N 3.12Å
263	K	45.8	Very low	51.9	Low	133 Å²	133	128.2 Å²	128.2	58%	0.578	64%	0.636	S	S	*	*	H	α-helix	trans	-60.8	-19.7	-172.1	-92.5	-178.7	161.9	174.7	0	115.5	Q259 K267	Q259-K263 VanDerWaalsContact OE1-CE 3.29Å; K263-K267 WeakPolarHBondContact O-CB 3.5Å
264	V	49.7	Very low	53	Low	93 Å²	93	123.3 Å²	123.3	56%	0.564	62%	0.621	S	S	*	*	H	α-helix	trans	-78.4	-59.3	173.2	-176.9	0	0	0	0	109.5	R262 D266 K267 E268	R262-V264 PolarHBondContact O-N 3.1Å; V264-D266 VanDerWaalsContact C-N 3.29Å; V264-D266 PolarHBondContact O-N 3.21Å; V264-K267 PolarHBondContact O-N 2.84Å; V264-E268 HydrophobicContact CG1-CG 4.41Å; V264-E268 WeakPolarHBondContact CG1-OE1 3.47Å; V264-E268 WeakPolarHBondContact O-CG 3.41Å; V264-E268 PolarHBondContact O-N 3.31Å
265	S	50.2	Low	54.7	Low	50 Å²	50	124.8 Å²	124.8	35%	0.35	62%	0.616	S	S	.	*	H	α-helix	trans	-57.4	-36.5	-179.3	-177.1	0	0	0	0	114.1	R262 E268 K269	R262-S265 PolarHBondContact O-N 3.33Å; S265-E268 WeakPolarHBondContact CA-OE2 3.41Å; S265-K269 WeakPolarHBondContact O-CD 3.48Å; S265-K269 VanDerWaalsContact O-CE 3.24Å; S265-K269 WeakPolarHBondContact O-CE 3.49Å; S265-K269 VanDerWaalsContact O-CG 3.27Å; S265-K269 WeakPolarHBondContact O-CG 3.23Å; S265-K269 PolarHBondContact O-N 3.41Å; S265-K269 VanDerWaalsContact OG-CE 3.23Å; S265-K269 WeakPolarHBondContact OG-CE 3.36Å; S265-K269 PolarHBondContact OG-NZ 3.48Å; S265-K269 VanDerWaalsContact OG-NZ 3.09Å
266	D	56.3	Low	56.5	Low	68 Å²	68	124.3 Å²	124.3	36%	0.364	60%	0.604	S	S	.	*	H	α-helix	trans	-79.6	-24.3	179.6	-60.8	-29.6	0	0	0	112.2	R262 V264 K269 I270	R262-D266 PolarHBondContact O-N 3.12Å; V264-D266 VanDerWaalsContact C-N 3.29Å; V264-D266 PolarHBondContact O-N 3.21Å; D266-K269 IonicContact OD1-NZ 2.7Å; D266-K269 PolarHBondContact OD1-NZ 2.8Å; D266-I270 WeakPolarHBondContact O-CD1 3.27Å; D266-I270 VanDerWaalsContact O-CG1 3.3Å; D266-I270 WeakPolarHBondContact O-CG1 3.32Å; D266-I270 PolarHBondContact O-N 3.3Å
267	K	65.3	Low	58.1	Low	123 Å²	123	125.1 Å²	125.1	54%	0.535	60%	0.599	S	S	.	*	H	α-helix	trans	-74.4	-45.1	168.9	-164.6	-165.4	175.5	-122.9	0	111.2	K263 V264 K269 I270 D271	K263-K267 WeakPolarHBondContact O-CB 3.5Å; V264-K267 PolarHBondContact O-N 2.84Å; K267-K269 PolarHBondContact O-N 2.92Å; K267-I270 WeakPolarHBondContact O-CA 3.38Å; K267-I270 PolarHBondContact O-N 3.01Å; K267-D271 WeakPolarHBondContact CE-OD1 3.43Å; K267-D271 VanDerWaalsContact CE-OD2 3.28Å; K267-D271 WeakPolarHBondContact CE-OD2 3.45Å; K267-D271 IonicContact NZ-OD1 3.57Å; K267-D271 IonicContact NZ-OD2 2.75Å; K267-D271 PolarHBondContact NZ-OD2 3.33Å; K267-D271 PolarHBondContact O-N 3.35Å
268	E	69.1	Low	59.9	Low	107 Å²	107	118.7 Å²	118.7	50%	0.5	58%	0.58	S	S	.	*	H	α-helix	trans	-55.4	-37.3	177	-70.5	165.7	156.9	0	0	111.8	V264 S265 Q272	V264-E268 HydrophobicContact CG1-CG 4.41Å; V264-E268 WeakPolarHBondContact CG1-OE1 3.47Å; V264-E268 WeakPolarHBondContact O-CG 3.41Å; V264-E268 PolarHBondContact O-N 3.31Å; S265-E268 WeakPolarHBondContact CA-OE2 3.41Å; E268-Q272 VanDerWaalsContact O-CB 3.3Å; E268-Q272 WeakPolarHBondContact O-CB 3.45Å; E268-Q272 WeakPolarHBondContact O-CG 3.35Å; E268-Q272 PolarHBondContact O-N 2.93Å
269	K	67.2	Low	61.8	Low	92 Å²	92	120 Å²	120	40%	0.4	57%	0.57	S	S	.	*	H	α-helix	trans	-68.4	-38.2	172.5	-69.1	163.8	-151.1	154.1	0	113.7	S265 D266 K267 L273	S265-K269 WeakPolarHBondContact O-CD 3.48Å; S265-K269 VanDerWaalsContact O-CE 3.24Å; S265-K269 WeakPolarHBondContact O-CE 3.49Å; S265-K269 VanDerWaalsContact O-CG 3.27Å; S265-K269 WeakPolarHBondContact O-CG 3.23Å; S265-K269 PolarHBondContact O-N 3.41Å; S265-K269 VanDerWaalsContact OG-CE 3.23Å; S265-K269 WeakPolarHBondContact OG-CE 3.36Å; S265-K269 PolarHBondContact OG-NZ 3.48Å; S265-K269 VanDerWaalsContact OG-NZ 3.09Å; D266-K269 IonicContact OD1-NZ 2.7Å; D266-K269 PolarHBondContact OD1-NZ 2.8Å; K267-K269 PolarHBondContact O-N 2.92Å; K269-L273 VanDerWaalsContact O-CB 3.32Å; K269-L273 WeakPolarHBondContact O-CB 3.48Å; K269-L273 VanDerWaalsContact O-CG 3.23Å; K269-L273 WeakPolarHBondContact O-CG 3.26Å; K269-L273 PolarHBondContact O-N 2.78Å
270	I	69.4	Low	62.9	Low	96 Å²	96	116.1 Å²	116.1	49%	0.492	56%	0.557	S	S	.	*	H	α-helix	trans	-67.9	-45.3	176.9	-70.5	164.8	0	0	0	109.8	D266 K267 Q272 L273 Q274	D266-I270 WeakPolarHBondContact O-CD1 3.27Å; D266-I270 VanDerWaalsContact O-CG1 3.3Å; D266-I270 WeakPolarHBondContact O-CG1 3.32Å; D266-I270 PolarHBondContact O-N 3.3Å; K267-I270 WeakPolarHBondContact O-CA 3.38Å; K267-I270 PolarHBondContact O-N 3.01Å; I270-Q272 VanDerWaalsContact C-N 3.34Å; I270-Q272 PolarHBondContact O-N 3.37Å; I270-L273 PolarHBondContact O-N 2.85Å; I270-Q274 WeakPolarHBondContact O-CB 3.46Å; I270-Q274 WeakPolarHBondContact O-CG 3.13Å; I270-Q274 PolarHBondContact O-N 2.89Å
271	D	70	Confident	64.1	Low	64 Å²	64	114 Å²	114	34%	0.342	55%	0.547	S	S	.	.	H	α-helix	trans	-62.4	-41.4	177.3	-63.8	-8.2	0	0	0	109.7	K267 Q274 E275	K267-D271 WeakPolarHBondContact CE-OD1 3.43Å; K267-D271 VanDerWaalsContact CE-OD2 3.28Å; K267-D271 WeakPolarHBondContact CE-OD2 3.45Å; K267-D271 IonicContact NZ-OD1 3.57Å; K267-D271 IonicContact NZ-OD2 2.75Å; K267-D271 PolarHBondContact NZ-OD2 3.33Å; K267-D271 PolarHBondContact O-N 3.35Å; D271-Q274 PolarHBondContact O-N 3.36Å; D271-E275 PolarHBondContact O-N 3.36Å
272	Q	73.3	Confident	65.8	Low	118 Å²	118	107.5 Å²	107.5	55%	0.551	52%	0.521	S	S	*	.	H	α-helix	trans	-64	-45.7	172.1	-79.2	172.7	-9.2	0	0	113.8	E268 I270 Q274 E275 E276	E268-Q272 VanDerWaalsContact O-CB 3.3Å; E268-Q272 WeakPolarHBondContact O-CB 3.45Å; E268-Q272 WeakPolarHBondContact O-CG 3.35Å; E268-Q272 PolarHBondContact O-N 2.93Å; I270-Q272 VanDerWaalsContact C-N 3.34Å; I270-Q272 PolarHBondContact O-N 3.37Å; Q272-Q274 VanDerWaalsContact C-N 3.28Å; Q272-Q274 PolarHBondContact O-N 3.46Å; Q272-E275 PolarHBondContact O-N 2.98Å; Q272-E275 VanDerWaalsContact O-N 3.14Å; Q272-E276 PolarHBondContact O-N 3.36Å
273	L	72.4	Confident	67.7	Low	109 Å²	109	104.1 Å²	104.1	57%	0.571	51%	0.512	S	S	*	.	H	α-helix	trans	-65.4	-32.7	178.1	-76.2	167.1	0	0	0	111.9	K269 I270 L277	K269-L273 VanDerWaalsContact O-CB 3.32Å; K269-L273 WeakPolarHBondContact O-CB 3.48Å; K269-L273 VanDerWaalsContact O-CG 3.23Å; K269-L273 WeakPolarHBondContact O-CG 3.26Å; K269-L273 PolarHBondContact O-N 2.78Å; I270-L273 PolarHBondContact O-N 2.85Å; L273-L277 WeakPolarHBondContact O-CB 3.46Å; L273-L277 PolarHBondContact O-N 3.06Å
274	Q	61.9	Low	68.8	Low	127 Å²	127	105.1 Å²	105.1	59%	0.593	51%	0.513	S	S	*	.	H	α-helix	trans	-66.5	-42.3	170.7	-75.3	-176.3	-10.2	0	0	111.6	I270 D271 Q272 L277 L278	I270-Q274 WeakPolarHBondContact O-CB 3.46Å; I270-Q274 WeakPolarHBondContact O-CG 3.13Å; I270-Q274 PolarHBondContact O-N 2.89Å; D271-Q274 PolarHBondContact O-N 3.36Å; Q272-Q274 VanDerWaalsContact C-N 3.28Å; Q272-Q274 PolarHBondContact O-N 3.46Å; Q274-L277 PolarHBondContact O-N 3.37Å; Q274-L278 VanDerWaalsContact O-CB 3.24Å; Q274-L278 WeakPolarHBondContact O-CB 3.18Å; Q274-L278 PolarHBondContact O-N 2.93Å
275	E	78.4	Confident	70	Confident	148 Å²	148	106 Å²	106	69%	0.692	51%	0.511	S	S	*	.	H	α-helix	trans	-66.2	-41.9	177.2	-168.1	166.5	-141.3	0	0	112.3	D271 Q272 L278 H279	D271-E275 PolarHBondContact O-N 3.36Å; Q272-E275 PolarHBondContact O-N 2.98Å; Q272-E275 VanDerWaalsContact O-N 3.14Å; E275-L278 PolarHBondContact O-N 3.09Å; E275-H279 VanDerWaalsContact O-CB 3.23Å; E275-H279 WeakPolarHBondContact O-CB 3.48Å; E275-H279 PolarHBondContact O-N 3.08Å
276	E	72	Confident	71.6	Confident	129 Å²	129	112 Å²	112	60%	0.603	53%	0.526	S	S	*	.	H	α-helix	trans	-63.6	-42.1	173.4	-74.3	-169.2	153.6	0	0	112.5	Q272 T280	Q272-E276 PolarHBondContact O-N 3.36Å; E276-T280 VanDerWaalsContact O-CB 3.24Å; E276-T280 WeakPolarHBondContact O-CB 3.49Å; E276-T280 PolarHBondContact O-N 3.21Å; E276-T280 PolarHBondContact O-OG1 2.93Å
277	L	71	Confident	72.8	Confident	116 Å²	116	112.4 Å²	112.4	61%	0.607	53%	0.527	S	S	*	.	H	α-helix	trans	-65.5	-45.2	177.9	-169.7	157	0	0	0	110.7	L273 Q274 T280 Q281	L273-L277 WeakPolarHBondContact O-CB 3.46Å; L273-L277 PolarHBondContact O-N 3.06Å; Q274-L277 PolarHBondContact O-N 3.37Å; L277-T280 WeakPolarHBondContact O-CB 3.25Å; L277-T280 PolarHBondContact O-N 3.31Å; L277-Q281 WeakPolarHBondContact O-CB 3.45Å; L277-Q281 PolarHBondContact O-N 2.88Å
278	L	76.3	Confident	73	Confident	99 Å²	99	111.8 Å²	111.8	52%	0.518	53%	0.53	S	S	.	.	H	α-helix	trans	-66.8	-42	178.8	-161.3	161.4	0	0	0	111.2	Q274 E275 T280 Q281 L282	Q274-L278 VanDerWaalsContact O-CB 3.24Å; Q274-L278 WeakPolarHBondContact O-CB 3.18Å; Q274-L278 PolarHBondContact O-N 2.93Å; E275-L278 PolarHBondContact O-N 3.09Å; L278-T280 VanDerWaalsContact C-N 3.3Å; L278-T280 PolarHBondContact O-N 3.45Å; L278-Q281 WeakPolarHBondContact O-CB 3.36Å; L278-Q281 PolarHBondContact O-N 3.46Å; L278-L282 HydrophobicContact CD2-CD1 3.65Å; L278-L282 HydrophobicContact CD2-CG 4.13Å; L278-L282 WeakPolarHBondContact O-CG 3.39Å; L278-L282 PolarHBondContact O-N 3.48Å
279	H	76.9	Confident	73.5	Confident	123 Å²	123	111 Å²	111	57%	0.569	53%	0.526	S	S	*	.	H	α-helix	trans	-62.6	-36.6	172.5	-174.6	-87	0	0	0	112.1	E275 K283	E275-H279 VanDerWaalsContact O-CB 3.23Å; E275-H279 WeakPolarHBondContact O-CB 3.48Å; E275-H279 PolarHBondContact O-N 3.08Å; H279-K283 WeakPolarHBondContact O-CB 3.25Å; H279-K283 PolarHBondContact O-N 3.46Å
280	T	70.1	Confident	74.4	Confident	64 Å²	64	114.7 Å²	114.7	39%	0.393	54%	0.537	S	S	.	.	H	α-helix	trans	-68	-40	174.5	-62.3	0	0	0	0	111.7	E276 L277 L278 K283 Y284	E276-T280 VanDerWaalsContact O-CB 3.24Å; E276-T280 WeakPolarHBondContact O-CB 3.49Å; E276-T280 PolarHBondContact O-N 3.21Å; E276-T280 PolarHBondContact O-OG1 2.93Å; L277-T280 WeakPolarHBondContact O-CB 3.25Å; L277-T280 PolarHBondContact O-N 3.31Å; L278-T280 VanDerWaalsContact C-N 3.3Å; L278-T280 PolarHBondContact O-N 3.45Å; T280-K283 WeakPolarHBondContact O-CB 3.25Å; T280-K283 PolarHBondContact O-N 2.94Å; T280-Y284 HydrophobicContact CG2-CD2 3.91Å; T280-Y284 HydrophobicContact CG2-CE2 3.57Å; T280-Y284 VanDerWaalsContact O-CD2 3.25Å; T280-Y284 WeakPolarHBondContact O-CD2 3.22Å; T280-Y284 PolarHBondContact O-N 3.49Å
281	Q	67.3	Low	74.4	Confident	128 Å²	128	114.1 Å²	114.1	60%	0.598	54%	0.535	S	S	*	.	H	α-helix	trans	-62	-47.2	174.8	-144.6	175.5	13.2	0	0	111.1	L277 L278 K283 Y284 Q285	L277-Q281 WeakPolarHBondContact O-CB 3.45Å; L277-Q281 PolarHBondContact O-N 2.88Å; L278-Q281 WeakPolarHBondContact O-CB 3.36Å; L278-Q281 PolarHBondContact O-N 3.46Å; Q281-K283 VanDerWaalsContact C-N 3.29Å; Q281-K283 PolarHBondContact O-N 2.98Å; Q281-Y284 PolarHBondContact O-N 3.32Å; Q281-Q285 PolarHBondContact O-N 3.36Å
282	L	76.7	Confident	74.5	Confident	73 Å²	73	117.6 Å²	117.6	38%	0.382	55%	0.549	S	S	.	.	H	α-helix	trans	-61	-34.9	173.9	-73.2	171.2	0	0	0	112.8	L278 R286	L278-L282 HydrophobicContact CD2-CD1 3.65Å; L278-L282 HydrophobicContact CD2-CG 4.13Å; L278-L282 WeakPolarHBondContact O-CG 3.39Å; L278-L282 PolarHBondContact O-N 3.48Å; L282-R286 WeakPolarHBondContact O-CG 3.49Å; L282-R286 PolarHBondContact O-N 3.11Å
283	K	82.2	Confident	74.9	Confident	127 Å²	127	117.6 Å²	117.6	55%	0.552	55%	0.547	S	S	*	.	H	α-helix	trans	-65.6	-45.8	174.9	-175	-177.4	176.6	-173.2	0	111.3	H279 T280 Q281 R286 I287	H279-K283 WeakPolarHBondContact O-CB 3.25Å; H279-K283 PolarHBondContact O-N 3.46Å; T280-K283 WeakPolarHBondContact O-CB 3.25Å; T280-K283 PolarHBondContact O-N 2.94Å; Q281-K283 VanDerWaalsContact C-N 3.29Å; Q281-K283 PolarHBondContact O-N 2.98Å; K283-R286 PolarHBondContact O-N 3.32Å; K283-I287 HydrophobicContact CG-CD1 4.22Å; K283-I287 WeakPolarHBondContact O-CD1 3.25Å; K283-I287 VanDerWaalsContact O-CG1 3.31Å; K283-I287 WeakPolarHBondContact O-CG1 3.26Å; K283-I287 PolarHBondContact O-N 2.99Å; K283-I287 VanDerWaalsContact O-N 3.11Å
284	Y	68.8	Low	75	Confident	153 Å²	153	116.6 Å²	116.6	60%	0.6	54%	0.539	S	S	*	.	H	α-helix	trans	-65.3	-40.2	175.1	-74.9	-60.3	0	0	0	112.4	T280 Q281 R286 I287 L288	T280-Y284 HydrophobicContact CG2-CD2 3.91Å; T280-Y284 HydrophobicContact CG2-CE2 3.57Å; T280-Y284 VanDerWaalsContact O-CD2 3.25Å; T280-Y284 WeakPolarHBondContact O-CD2 3.22Å; T280-Y284 PolarHBondContact O-N 3.49Å; Q281-Y284 PolarHBondContact O-N 3.32Å; Y284-R286 PolarHBondContact O-N 2.97Å; Y284-I287 PolarHBondContact O-N 3.25Å; Y284-I287 VanDerWaalsContact O-N 3.11Å; Y284-L288 PolarHBondContact O-N 3.1Å
285	Q	75.7	Confident	75.2	Confident	112 Å²	112	114.8 Å²	114.8	52%	0.523	53%	0.534	S	S	.	.	H	α-helix	trans	-61.1	-42.2	176.4	-169.4	173.5	6.5	0	0	112.1	Q281 I287 L288 E289	Q281-Q285 PolarHBondContact O-N 3.36Å; Q285-I287 VanDerWaalsContact C-N 3.32Å; Q285-I287 PolarHBondContact O-N 2.82Å; Q285-L288 PolarHBondContact O-N 3.3Å; Q285-E289 PolarHBondContact O-N 2.99Å
286	R	83.1	Confident	75.2	Confident	176 Å²	176	114.8 Å²	114.8	66%	0.664	53%	0.531	S	S	*	.	H	α-helix	trans	-65.7	-30.9	173.5	-73.4	174.7	-179.2	172.1	3.1	113.5	L282 K283 Y284 R290	L282-R286 WeakPolarHBondContact O-CG 3.49Å; L282-R286 PolarHBondContact O-N 3.11Å; K283-R286 PolarHBondContact O-N 3.32Å; Y284-R286 PolarHBondContact O-N 2.97Å; R286-R290 WeakPolarHBondContact O-CB 3.34Å; R286-R290 PolarHBondContact O-N 3.08Å; R286-R290 VanDerWaalsContact O-N 3.12Å
287	I	81.1	Confident	75.2	Confident	76 Å²	76	114.6 Å²	114.6	39%	0.39	53%	0.531	S	S	.	.	H	α-helix	trans	-72.2	-42.7	174.9	-69.9	164.5	0	0	0	110.1	K283 Y284 Q285 R290 L291	K283-I287 HydrophobicContact CG-CD1 4.22Å; K283-I287 WeakPolarHBondContact O-CD1 3.25Å; K283-I287 VanDerWaalsContact O-CG1 3.31Å; K283-I287 WeakPolarHBondContact O-CG1 3.26Å; K283-I287 PolarHBondContact O-N 2.99Å; K283-I287 VanDerWaalsContact O-N 3.11Å; Y284-I287 PolarHBondContact O-N 3.25Å; Y284-I287 VanDerWaalsContact O-N 3.11Å; Q285-I287 VanDerWaalsContact C-N 3.32Å; Q285-I287 PolarHBondContact O-N 2.82Å; I287-R290 PolarHBondContact O-N 3.37Å; I287-L291 HydrophobicContact CG2-CD1 3.88Å; I287-L291 HydrophobicContact CG2-CG 4.4Å; I287-L291 WeakPolarHBondContact O-CB 3.21Å; I287-L291 WeakPolarHBondContact O-CG 3.41Å; I287-L291 PolarHBondContact O-N 3.41Å
288	L	70.3	Confident	74.8	Confident	111 Å²	111	114 Å²	114	58%	0.581	53%	0.527	S	S	*	.	H	α-helix	trans	-59.9	-49.8	173	-76.5	165.1	0	0	0	111.5	Y284 Q285 R290 L291 E292	Y284-L288 PolarHBondContact O-N 3.1Å; Q285-L288 PolarHBondContact O-N 3.3Å; L288-R290 PolarHBondContact O-N 2.67Å; L288-L291 PolarHBondContact O-N 2.78Å; L288-L291 VanDerWaalsContact O-N 3.11Å; L288-E292 WeakPolarHBondContact O-CG 3.46Å; L288-E292 PolarHBondContact O-N 3.34Å
289	E	78.7	Confident	74.2	Confident	89 Å²	89	117.1 Å²	117.1	42%	0.416	53%	0.532	S	S	.	.	H	α-helix	trans	-57.3	-35.6	175.1	-83.5	-167.7	-146.3	0	0	113.4	Q285 K293	Q285-E289 PolarHBondContact O-N 2.99Å; E289-K293 WeakPolarHBondContact O-CB 3.14Å; E289-K293 VanDerWaalsContact O-CD 3.3Å; E289-K293 WeakPolarHBondContact O-CD 3.23Å; E289-K293 VanDerWaalsContact O-CG 3.22Å; E289-K293 WeakPolarHBondContact O-CG 3.16Å; E289-K293 PolarHBondContact O-N 3.21Å; E289-K293 VanDerWaalsContact O-N 3.09Å; E289-K293 IonicContact OE2-NZ 2.69Å; E289-K293 PolarHBondContact OE2-NZ 3.15Å
290	R	86.9	Confident	73.7	Confident	171 Å²	171	117.4 Å²	117.4	65%	0.645	53%	0.532	S	S	*	.	H	α-helix	trans	-68.4	-49.1	174.6	173.9	176.9	-74.2	-171.9	-3.9	110.6	R286 I287 L288 E292 K293 E294	R286-R290 WeakPolarHBondContact O-CB 3.34Å; R286-R290 PolarHBondContact O-N 3.08Å; R286-R290 VanDerWaalsContact O-N 3.12Å; I287-R290 PolarHBondContact O-N 3.37Å; L288-R290 PolarHBondContact O-N 2.67Å; R290-E292 VanDerWaalsContact C-N 3.28Å; R290-E292 PolarHBondContact O-N 2.95Å; R290-K293 PolarHBondContact O-N 3.36Å; R290-K293 VanDerWaalsContact O-N 3.12Å; R290-E294 VanDerWaalsContact CD-OE1 3.23Å; R290-E294 WeakPolarHBondContact CD-OE1 3.36Å; R290-E294 HydrophobicContact CG-CG 4.26Å; R290-E294 WeakPolarHBondContact CG-OE1 3.49Å; R290-E294 WeakPolarHBondContact O-CB 3.18Å; R290-E294 WeakPolarHBondContact O-CG 3.36Å; R290-E294 PolarHBondContact O-N 2.92Å
291	L	69.9	Low	73.3	Confident	83 Å²	83	119.2 Å²	119.2	44%	0.435	54%	0.539	S	S	.	.	H	α-helix	trans	-64.2	-31.3	179.6	-71.1	170.5	0	0	0	112.4	I287 L288 N295	I287-L291 HydrophobicContact CG2-CD1 3.88Å; I287-L291 HydrophobicContact CG2-CG 4.4Å; I287-L291 WeakPolarHBondContact O-CB 3.21Å; I287-L291 WeakPolarHBondContact O-CG 3.41Å; I287-L291 PolarHBondContact O-N 3.41Å; L288-L291 PolarHBondContact O-N 2.78Å; L288-L291 VanDerWaalsContact O-N 3.11Å; L291-N295 VanDerWaalsContact O-CB 3.26Å; L291-N295 WeakPolarHBondContact O-CB 3.49Å; L291-N295 PolarHBondContact O-N 2.99Å; L291-N295 PolarHBondContact O-ND2 3.45Å
292	E	70.9	Confident	72.7	Confident	138 Å²	138	117 Å²	117	65%	0.645	53%	0.534	S	S	*	.	H	α-helix	trans	-69.5	-42.3	170.6	-75.1	-170.1	159.3	0	0	112.2	L288 R290 N295 K296	L288-E292 WeakPolarHBondContact O-CG 3.46Å; L288-E292 PolarHBondContact O-N 3.34Å; R290-E292 VanDerWaalsContact C-N 3.28Å; R290-E292 PolarHBondContact O-N 2.95Å; E292-N295 PolarHBondContact O-N 2.65Å; E292-K296 VanDerWaalsContact O-CB 3.22Å; E292-K296 WeakPolarHBondContact O-CB 3.49Å; E292-K296 PolarHBondContact O-N 3.42Å
293	K	81.6	Confident	71.4	Confident	118 Å²	118	117.8 Å²	117.8	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-64.1	-45.1	174.9	-74.1	162	-171	152.9	0	111	E289 R290 K296 E297	E289-K293 WeakPolarHBondContact O-CB 3.14Å; E289-K293 VanDerWaalsContact O-CD 3.3Å; E289-K293 WeakPolarHBondContact O-CD 3.23Å; E289-K293 VanDerWaalsContact O-CG 3.22Å; E289-K293 WeakPolarHBondContact O-CG 3.16Å; E289-K293 PolarHBondContact O-N 3.21Å; E289-K293 VanDerWaalsContact O-N 3.09Å; E289-K293 IonicContact OE2-NZ 2.69Å; E289-K293 PolarHBondContact OE2-NZ 3.15Å; R290-K293 PolarHBondContact O-N 3.36Å; R290-K293 VanDerWaalsContact O-N 3.12Å; K293-K296 CarbonylContact O-C 3.6Å; K293-K296 PolarHBondContact O-N 2.85Å; K293-K296 VanDerWaalsContact O-N 3.14Å; K293-E297 WeakPolarHBondContact O-CG 3.35Å; K293-E297 PolarHBondContact O-N 3.13Å
294	E	75.4	Confident	69.7	Low	87 Å²	87	118.1 Å²	118.1	41%	0.407	54%	0.541	S	S	.	.	H	α-helix	trans	-62.6	-43.2	174.7	-72.4	169.9	-170.6	0	0	111.3	R290 K296 E297 L298	R290-E294 VanDerWaalsContact CD-OE1 3.23Å; R290-E294 WeakPolarHBondContact CD-OE1 3.36Å; R290-E294 HydrophobicContact CG-CG 4.26Å; R290-E294 WeakPolarHBondContact CG-OE1 3.49Å; R290-E294 WeakPolarHBondContact O-CB 3.18Å; R290-E294 WeakPolarHBondContact O-CG 3.36Å; R290-E294 PolarHBondContact O-N 2.92Å; E294-K296 VanDerWaalsContact C-N 3.33Å; E294-K296 PolarHBondContact O-N 3.43Å; E294-E297 PolarHBondContact O-N 3.45Å; E294-L298 WeakPolarHBondContact O-CB 3.43Å; E294-L298 VanDerWaalsContact O-CG 3.23Å; E294-L298 WeakPolarHBondContact O-CG 3.45Å; E294-L298 PolarHBondContact O-N 3.09Å
295	N	66.2	Low	68.8	Low	89 Å²	89	118.4 Å²	118.4	48%	0.476	55%	0.546	S	S	.	.	H	α-helix	trans	-62.5	-36.5	171.4	-91.5	-77.8	0	0	0	112.9	L291 E292 R299	L291-N295 VanDerWaalsContact O-CB 3.26Å; L291-N295 WeakPolarHBondContact O-CB 3.49Å; L291-N295 PolarHBondContact O-N 2.99Å; L291-N295 PolarHBondContact O-ND2 3.45Å; E292-N295 PolarHBondContact O-N 2.65Å; N295-R299 VanDerWaalsContact O-CB 3.29Å; N295-R299 WeakPolarHBondContact O-CB 3.24Å; N295-R299 VanDerWaalsContact O-CG 3.26Å; N295-R299 WeakPolarHBondContact O-CG 3.45Å; N295-R299 PolarHBondContact O-N 3.33Å
296	K	78.6	Confident	67.3	Low	148 Å²	148	116.7 Å²	116.7	64%	0.643	54%	0.54	S	S	*	.	H	α-helix	trans	-72.2	-31.9	178.8	-165.8	167.7	-171.8	167.5	0	112	E292 K293 E294 K300	E292-K296 VanDerWaalsContact O-CB 3.22Å; E292-K296 WeakPolarHBondContact O-CB 3.49Å; E292-K296 PolarHBondContact O-N 3.42Å; K293-K296 CarbonylContact O-C 3.6Å; K293-K296 PolarHBondContact O-N 2.85Å; K293-K296 VanDerWaalsContact O-N 3.14Å; E294-K296 VanDerWaalsContact C-N 3.33Å; E294-K296 PolarHBondContact O-N 3.43Å; K296-K300 WeakPolarHBondContact O-CG 3.39Å; K296-K300 PolarHBondContact O-N 3.28Å; K296-K300 VanDerWaalsContact O-N 3.14Å
297	E	72.1	Confident	65.1	Low	126 Å²	126	114.9 Å²	114.9	59%	0.589	54%	0.544	S	S	*	.	H	α-helix	trans	-76.5	-40.4	171.6	-72.1	-177	176	0	0	112.1	K293 E294 K300 L301	K293-E297 WeakPolarHBondContact O-CG 3.35Å; K293-E297 PolarHBondContact O-N 3.13Å; E294-E297 PolarHBondContact O-N 3.45Å; E297-K300 CarbonylContact O-C 3.57Å; E297-K300 WeakPolarHBondContact O-CB 3.49Å; E297-K300 PolarHBondContact O-N 3.3Å; E297-L301 WeakPolarHBondContact O-CG 2.81Å; E297-L301 PolarHBondContact O-N 2.95Å
298	L	63.4	Low	63.2	Low	102 Å²	102	119.8 Å²	119.8	53%	0.534	56%	0.562	S	S	.	*	H	α-helix	trans	-61.7	-44	171.7	-73.2	168.4	0	0	0	111.6	E294 K300 L301 V302	E294-L298 WeakPolarHBondContact O-CB 3.43Å; E294-L298 VanDerWaalsContact O-CG 3.23Å; E294-L298 WeakPolarHBondContact O-CG 3.45Å; E294-L298 PolarHBondContact O-N 3.09Å; L298-K300 VanDerWaalsContact C-N 3.32Å; L298-K300 PolarHBondContact O-N 3.47Å; L298-L301 CarbonylContact O-C 3.44Å; L298-L301 PolarHBondContact O-N 3.1Å; L298-L301 VanDerWaalsContact O-N 3.1Å; L298-V302 WeakPolarHBondContact O-CG2 3.31Å; L298-V302 PolarHBondContact O-N 2.74Å
299	R	62.1	Low	61.6	Low	165 Å²	165	116.6 Å²	116.6	62%	0.623	56%	0.556	S	S	*	*	H	α-helix	trans	-59.6	-40	172	-78.4	176.5	174.3	-130.6	-9	111.9	N295 V302 L303	N295-R299 VanDerWaalsContact O-CB 3.29Å; N295-R299 WeakPolarHBondContact O-CB 3.24Å; N295-R299 VanDerWaalsContact O-CG 3.26Å; N295-R299 WeakPolarHBondContact O-CG 3.45Å; N295-R299 PolarHBondContact O-N 3.33Å; R299-V302 PolarHBondContact O-N 3.15Å; R299-L303 WeakPolarHBondContact O-CB 3.48Å; R299-L303 WeakPolarHBondContact O-CD1 3.44Å; R299-L303 VanDerWaalsContact O-CG 3.29Å; R299-L303 WeakPolarHBondContact O-CG 3.25Å; R299-L303 PolarHBondContact O-N 3.19Å
300	K	67.4	Low	59.6	Low	129 Å²	129	118.3 Å²	118.3	56%	0.561	57%	0.567	S	S	*	*	H	α-helix	trans	-64.9	-37.4	172	-79.8	177.5	173.8	-175.1	0	113	K296 E297 L298 Q304	K296-K300 WeakPolarHBondContact O-CG 3.39Å; K296-K300 PolarHBondContact O-N 3.28Å; K296-K300 VanDerWaalsContact O-N 3.14Å; E297-K300 CarbonylContact O-C 3.57Å; E297-K300 WeakPolarHBondContact O-CB 3.49Å; E297-K300 PolarHBondContact O-N 3.3Å; L298-K300 VanDerWaalsContact C-N 3.32Å; L298-K300 PolarHBondContact O-N 3.47Å; K300-Q304 WeakPolarHBondContact O-CB 3.37Å; K300-Q304 VanDerWaalsContact O-CG 3.29Å; K300-Q304 WeakPolarHBondContact O-CG 3.45Å; K300-Q304 PolarHBondContact O-N 2.74Å
301	L	61.9	Low	57.1	Low	102 Å²	102	118.8 Å²	118.8	53%	0.534	58%	0.576	S	S	.	*	H	α-helix	trans	-73.3	-28.1	177.7	-74.3	165.5	0	0	0	113	E297 L298 K305	E297-L301 WeakPolarHBondContact O-CG 2.81Å; E297-L301 PolarHBondContact O-N 2.95Å; L298-L301 CarbonylContact O-C 3.44Å; L298-L301 PolarHBondContact O-N 3.1Å; L298-L301 VanDerWaalsContact O-N 3.1Å; L301-K305 WeakPolarHBondContact O-CG 3.5Å; L301-K305 PolarHBondContact O-N 2.86Å
302	V	53.2	Low	55.5	Low	82 Å²	82	122.1 Å²	122.1	50%	0.497	59%	0.589	S	S	.	*	H	α-helix	trans	-71.2	-53.7	168.4	171.5	0	0	0	0	109.6	L298 R299 Q304 K305 D306	L298-V302 WeakPolarHBondContact O-CG2 3.31Å; L298-V302 PolarHBondContact O-N 2.74Å; R299-V302 PolarHBondContact O-N 3.15Å; V302-Q304 VanDerWaalsContact C-N 3.26Å; V302-Q304 PolarHBondContact O-N 2.72Å; V302-K305 WeakPolarHBondContact O-CA 3.33Å; V302-K305 WeakPolarHBondContact O-CB 3.47Å; V302-K305 PolarHBondContact O-N 3.49Å; V302-D306 WeakPolarHBondContact CG1-OD2 3.45Å; V302-D306 PolarHBondContact O-N 3.27Å
303	L	50	Low	53.9	Low	90 Å²	90	126.7 Å²	126.7	47%	0.471	60%	0.6	S	S	.	*	H	α-helix	trans	-55.6	-37	175.8	-73.1	164	0	0	0	112.8	R299 K305 D306 D307	R299-L303 WeakPolarHBondContact O-CB 3.48Å; R299-L303 WeakPolarHBondContact O-CD1 3.44Å; R299-L303 VanDerWaalsContact O-CG 3.29Å; R299-L303 WeakPolarHBondContact O-CG 3.25Å; R299-L303 PolarHBondContact O-N 3.19Å; L303-K305 VanDerWaalsContact C-N 3.29Å; L303-K305 PolarHBondContact O-N 3.06Å; L303-D306 PolarHBondContact O-N 2.92Å; L303-D306 VanDerWaalsContact O-N 3.13Å; L303-D307 WeakPolarHBondContact O-CB 3.42Å; L303-D307 PolarHBondContact O-N 2.9Å
304	Q	47	Very low	52.1	Low	133 Å²	133	130.7 Å²	130.7	62%	0.621	62%	0.618	S	S	*	*	H	α-helix	trans	-72.9	-14.3	174.5	-77.2	-177.1	-3	0	0	115	K300 V302	K300-Q304 WeakPolarHBondContact O-CB 3.37Å; K300-Q304 VanDerWaalsContact O-CG 3.29Å; K300-Q304 WeakPolarHBondContact O-CG 3.45Å; K300-Q304 PolarHBondContact O-N 2.74Å; V302-Q304 VanDerWaalsContact C-N 3.26Å; V302-Q304 PolarHBondContact O-N 2.72Å
305	K	50.1	Low	50.7	Low	160 Å²	160	134 Å²	134	70%	0.696	64%	0.637	S	S	*	*	H	α-helix	trans	-82.2	-34.5	164.7	-72.9	174.3	177.1	178.4	0	111.3	L301 V302 L303	L301-K305 WeakPolarHBondContact O-CG 3.5Å; L301-K305 PolarHBondContact O-N 2.86Å; V302-K305 WeakPolarHBondContact O-CA 3.33Å; V302-K305 WeakPolarHBondContact O-CB 3.47Å; V302-K305 PolarHBondContact O-N 3.49Å; L303-K305 VanDerWaalsContact C-N 3.29Å; L303-K305 PolarHBondContact O-N 3.06Å
306	D	44.5	Very low	50.1	Low	76 Å²	76	139.6 Å²	139.6	41%	0.406	66%	0.657	S	S	.	*	H	α-helix	trans	-83	-33.1	-176.8	-59.2	-38.6	0	0	0	113.4	V302 L303 K308 G309	V302-D306 WeakPolarHBondContact CG1-OD2 3.45Å; V302-D306 PolarHBondContact O-N 3.27Å; L303-D306 PolarHBondContact O-N 2.92Å; L303-D306 VanDerWaalsContact O-N 3.13Å; D306-K308 CarbonylContact O-C 3.5Å; D306-K308 PolarHBondContact O-N 3.44Å; D306-G309 WeakPolarHBondContact O-CA 3.45Å; D306-G309 PolarHBondContact O-N 3.47Å
307	D	36.8	Very low	49.7	Very low	137 Å²	137	137.5 Å²	137.5	73%	0.733	65%	0.649	S	S	*	*	S	Bend	trans	-64.5	-25.9	174.1	-85.4	-27.9	0	0	0	112.2	L303 G309	L303-D307 WeakPolarHBondContact O-CB 3.42Å; L303-D307 PolarHBondContact O-N 2.9Å; D307-G309 PolarHBondContact O-N 3.13Å
308	K	40.4	Very low	49.9	Very low	179 Å²	179	133 Å²	133	78%	0.778	63%	0.63	S	S	*	*	S	Bend	trans	-83.1	66.2	160.1	-73.2	-175.7	179	175.8	0	108.4	D306	D306-K308 CarbonylContact O-C 3.5Å; D306-K308 PolarHBondContact O-N 3.44Å
309	G	35.9	Very low	50.7	Low	44 Å²	44	128.8 Å²	128.8	45%	0.454	61%	0.609	S	S	.	*			trans	-35.6	134.5	-170.7	0	0	0	0	0	113.4	D306 D307 H311	D306-G309 WeakPolarHBondContact O-CA 3.45Å; D306-G309 PolarHBondContact O-N 3.47Å; D307-G309 PolarHBondContact O-N 3.13Å; G309-H311 PolarHBondContact O-N 3.39Å
310	I	36.6	Very low	51.5	Low	125 Å²	125	120.9 Å²	120.9	64%	0.641	58%	0.579	S	S	*	*			trans	-58.3	79.9	-160.7	-55.1	175.3	0	0	0	112.3	H312	I310-H312 VanDerWaalsContact CG2-ND1 3.32Å; I310-H312 WeakPolarHBondContact CG2-ND1 3.42Å; I310-H312 PolarHBondContact O-N 2.87Å
311	H	35.8	Very low	52.1	Low	181 Å²	181	116.6 Å²	116.6	84%	0.838	56%	0.562	S	S	*	*			trans	-63.6	78.5	141.5	-68.2	-49.2	0	0	0	107	G309 R313	G309-H311 PolarHBondContact O-N 3.39Å; H311-R313 VanDerWaalsContact C-N 3.29Å; H311-R313 PolarHBondContact O-N 2.99Å
312	H	35.5	Very low	53	Low	154 Å²	154	113.5 Å²	113.5	71%	0.713	55%	0.545	S	S	*	.			trans	-38.1	111.4	130.9	-98	61	0	0	0	105.4	I310 K314	I310-H312 VanDerWaalsContact CG2-ND1 3.32Å; I310-H312 WeakPolarHBondContact CG2-ND1 3.42Å; I310-H312 PolarHBondContact O-N 2.87Å; H312-K314 PolarHBondContact O-N 3.25Å
313	R	38.3	Very low	54.4	Low	233 Å²	233	109.6 Å²	109.6	88%	0.879	52%	0.522	S	S	*	.			trans	-51.1	112.4	166.6	-84.5	178.4	165	174.1	-5.4	104.2	H311 L315	H311-R313 VanDerWaalsContact C-N 3.29Å; H311-R313 PolarHBondContact O-N 2.99Å; R313-L315 PolarHBondContact O-N 2.82Å
314	K	43.7	Very low	55.7	Low	202 Å²	202	105.7 Å²	105.7	88%	0.878	50%	0.502	S	S	*	.			trans	-63.7	87.1	176.5	-74.7	-171.8	177.1	-175.1	0	106.3	H312 K316	H312-K314 PolarHBondContact O-N 3.25Å; K314-K316 PolarHBondContact O-N 3.18Å
315	L	45	Very low	57.1	Low	156 Å²	156	103 Å²	103	82%	0.817	49%	0.489	S	S	*	.			trans	-44.9	118	157.2	-85.9	161.9	0	0	0	104.1	R313 K317	R313-L315 PolarHBondContact O-N 2.82Å; L315-K317 PolarHBondContact O-N 2.8Å
316	K	54.4	Low	58.6	Low	207 Å²	207	95.6 Å²	95.6	90%	0.9	46%	0.457	S	S	*	.			trans	-64.5	92.8	-176.4	-70.9	-170.6	174.2	-167.6	0	106.8	K314 S318	K314-K316 PolarHBondContact O-N 3.18Å; K316-S318 PolarHBondContact O-N 2.89Å
317	K	69.3	Low	60.1	Low	105 Å²	105	92.1 Å²	92.1	46%	0.457	44%	0.439	S	S	.	.			trans	-54	135.4	176.2	-61.9	-167.2	-175.4	-166.9	0	106.8	L315 D321 M322 E325	L315-K317 PolarHBondContact O-N 2.8Å; K317-D321 HydrophobicContact CB-CB 4.3Å; K317-M322 HydrophobicContact CB-CG 3.61Å; K317-M322 HydrophobicContact CB-SD 4.09Å; K317-M322 HydrophobicContact CD-CG 4.16Å; K317-M322 HydrophobicContact CG-CG 4.49Å; K317-M322 WeakPolarHBondContact O-CE 3.43Å; K317-E325 WeakPolarHBondContact CD-OE1 3.49Å; K317-E325 WeakPolarHBondContact CE-OE1 3.44Å; K317-E325 IonicContact NZ-OE1 3.29Å; K317-E325 PolarHBondContact NZ-OE1 3.08Å; K317-E325 IonicContact NZ-OE2 2.87Å; K317-E325 PolarHBondContact NZ-OE2 2.89Å
318	S	77.4	Confident	61.9	Low	30 Å²	30	87 Å²	87	21%	0.21	41%	0.411	C	S	.	.			trans	-63.5	153.8	175.9	74	0	0	0	0	109	K316 I320 D321 M322	K316-S318 PolarHBondContact O-N 2.89Å; S318-I320 PolarHBondContact O-N 3.34Å; S318-I320 VanDerWaalsContact O-N 3.16Å; S318-I320 VanDerWaalsContact OG-CG2 3.26Å; S318-I320 WeakPolarHBondContact OG-CG2 3.24Å; S318-D321 WeakPolarHBondContact CB-OD2 3.36Å; S318-D321 PolarHBondContact N-OD2 2.96Å; S318-D321 WeakPolarHBondContact O-CB 3.43Å; S318-D321 PolarHBondContact O-N 3.32Å; S318-D321 PolarHBondContact OG-N 3Å; S318-D321 VanDerWaalsContact OG-N 3.09Å; S318-D321 PolarHBondContact OG-OD2 3.15Å; S318-M322 PolarHBondContact O-N 3.37Å
319	L	80	Confident	63.7	Low	14 Å²	14	79.8 Å²	79.8	7%	0.073	38%	0.383	C	S	.	.	H	α-helix	trans	-57.5	-31.5	177.3	-86.8	158	0	0	0	112.1	M322 Y323 W608 F1007 A1010 L1011 E1014	L319-M322 HydrophobicContact CD2-CE 3.9Å; L319-M322 HydrophobicContact CG-CE 4.1Å; L319-M322 PolarHBondContact O-N 3.33Å; L319-Y323 WeakPolarHBondContact O-CB 3.47Å; L319-Y323 PolarHBondContact O-N 2.93Å; L319-W608 HydrophobicContact CB-CH2 4.01Å; L319-F1007 HydrophobicContact CB-CE2 4.36Å; L319-F1007 HydrophobicContact CD2-CD2 3.74Å; L319-F1007 HydrophobicContact CD2-CE2 3.58Å; L319-F1007 VanDerWaalsContact O-CE2 3.25Å; L319-F1007 WeakPolarHBondContact O-CE2 3.27Å; L319-A1010 HydrophobicContact CD2-CB 3.81Å; L319-L1011 HydrophobicContact CD2-CB 4.03Å; L319-E1014 HydrophobicContact CD1-CB 3.94Å; L319-E1014 VanDerWaalsContact CD1-CD 3.49Å; L319-E1014 HydrophobicContact CD1-CG 4.28Å; L319-E1014 WeakPolarHBondContact CD1-OE2 3.46Å
320	I	78.9	Confident	65.5	Low	0 Å²	0	77.8 Å²	77.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-77.4	-28.3	176	-168	65.9	0	0	0	113.1	S318 Y323 S324 T385 R448 V450 F607 W608	S318-I320 PolarHBondContact O-N 3.34Å; S318-I320 VanDerWaalsContact O-N 3.16Å; S318-I320 VanDerWaalsContact OG-CG2 3.26Å; S318-I320 WeakPolarHBondContact OG-CG2 3.24Å; I320-Y323 HydrophobicContact CD1-CD1 3.99Å; I320-S324 VanDerWaalsContact O-CB 3.31Å; I320-S324 WeakPolarHBondContact O-CB 3.4Å; I320-S324 PolarHBondContact O-N 2.85Å; I320-S324 PolarHBondContact O-OG 3.36Å; I320-T385 HydrophobicContact CG1-CG2 3.95Å; I320-R448 HydrophobicContact CB-CB 4.14Å; I320-R448 HydrophobicContact CB-CG 4.38Å; I320-R448 HydrophobicContact CG2-CB 4.19Å; I320-R448 HydrophobicContact CG2-CG 3.93Å; I320-V450 HydrophobicContact CD1-CG2 4Å; I320-F607 HydrophobicContact CD1-CE1 4.2Å; I320-F607 HydrophobicContact CD1-CZ 4.22Å; I320-W608 HydrophobicContact CB-CZ2 4.36Å; I320-W608 HydrophobicContact CD1-CZ2 4.24Å
321	D	78.8	Confident	67	Low	38 Å²	38	73.3 Å²	73.3	20%	0.203	34%	0.341	C	S	.	.	H	α-helix	trans	-64.2	-47.4	167.4	-68.8	-56.5	0	0	0	110.5	K317 S318 Y323 S324 E325 K442	K317-D321 HydrophobicContact CB-CB 4.3Å; S318-D321 WeakPolarHBondContact CB-OD2 3.36Å; S318-D321 PolarHBondContact N-OD2 2.96Å; S318-D321 WeakPolarHBondContact O-CB 3.43Å; S318-D321 PolarHBondContact O-N 3.32Å; S318-D321 PolarHBondContact OG-N 3Å; S318-D321 VanDerWaalsContact OG-N 3.09Å; S318-D321 PolarHBondContact OG-OD2 3.15Å; D321-Y323 PolarHBondContact O-N 2.98Å; D321-S324 WeakPolarHBondContact O-CB 3.35Å; D321-S324 PolarHBondContact O-N 3.42Å; D321-S324 VanDerWaalsContact O-N 3.13Å; D321-E325 WeakPolarHBondContact O-CG 3.33Å; D321-E325 PolarHBondContact O-N 2.73Å; D321-K442 IonicContact OD1-NZ 3.74Å; D321-K442 PolarHBondContact OD1-NZ 2.93Å; D321-K442 IonicContact OD2-NZ 2.77Å; D321-K442 PolarHBondContact OD2-NZ 2.99Å
322	M	80.6	Confident	68.7	Low	38 Å²	38	70.9 Å²	70.9	19%	0.187	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-39.6	178.6	-67.2	-174.9	-66.8	0	0	112.3	K317 S318 L319 S324 E325 V326 F1007 A1010	K317-M322 HydrophobicContact CB-CG 3.61Å; K317-M322 HydrophobicContact CB-SD 4.09Å; K317-M322 HydrophobicContact CD-CG 4.16Å; K317-M322 HydrophobicContact CG-CG 4.49Å; K317-M322 WeakPolarHBondContact O-CE 3.43Å; S318-M322 PolarHBondContact O-N 3.37Å; L319-M322 HydrophobicContact CD2-CE 3.9Å; L319-M322 HydrophobicContact CG-CE 4.1Å; L319-M322 PolarHBondContact O-N 3.33Å; M322-S324 VanDerWaalsContact C-N 3.29Å; M322-S324 PolarHBondContact O-N 3.25Å; M322-E325 PolarHBondContact O-N 3.13Å; M322-V326 WeakPolarHBondContact O-CG2 3.27Å; M322-V326 PolarHBondContact O-N 3.19Å; M322-F1007 HydrophobicContact CB-CD2 3.88Å; M322-A1010 HydrophobicContact CE-CB 3.56Å; M322-A1010 HydrophobicContact SD-CB 4.48Å
323	Y	82.5	Confident	70.2	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.4	-35.8	171.7	-175	-108.6	0	0	0	112.4	L319 I320 D321 V326 L327 L343 P344 V450 F607 V611 V615 F1007	L319-Y323 WeakPolarHBondContact O-CB 3.47Å; L319-Y323 PolarHBondContact O-N 2.93Å; I320-Y323 HydrophobicContact CD1-CD1 3.99Å; D321-Y323 PolarHBondContact O-N 2.98Å; Y323-V326 PolarHBondContact O-N 2.88Å; Y323-L327 HydrophobicContact CD1-CD1 3.71Å; Y323-L327 HydrophobicContact CD1-CG 4.36Å; Y323-L327 HydrophobicContact CE1-CD1 3.44Å; Y323-L327 VanDerWaalsContact CE1-CD1 3.44Å; Y323-L327 HydrophobicContact CE1-CG 4.08Å; Y323-L327 WeakPolarHBondContact O-CB 3.25Å; Y323-L327 WeakPolarHBondContact O-CG 3.5Å; Y323-L327 PolarHBondContact O-N 2.89Å; Y323-L343 HydrophobicContact CE2-CB 4.5Å; Y323-L343 HydrophobicContact CE2-CD1 4.21Å; Y323-L343 HydrophobicContact CE2-CD2 4.33Å; Y323-P344 WeakPolarHBondContact OH-CD 3Å; Y323-P344 VanDerWaalsContact OH-N 3.16Å; Y323-P344 PolarHBondContact OH-O 3.28Å; Y323-V450 HydrophobicContact CD1-CG2 4.14Å; Y323-V450 HydrophobicContact CE1-CG2 4.06Å; Y323-F607 HydrophobicContact CD1-CZ 4.08Å; Y323-F607 HydrophobicContact CE1-CE2 4.14Å; Y323-F607 AromaticContact CE1-CZ 3.58Å; Y323-F607 HydrophobicContact CE1-CZ 3.58Å; Y323-V611 HydrophobicContact CD2-CG1 3.99Å; Y323-V611 HydrophobicContact CE1-CG2 4.41Å; Y323-V611 HydrophobicContact CE2-CB 4.48Å; Y323-V611 HydrophobicContact CE2-CG1 3.72Å; Y323-V611 HydrophobicContact CE2-CG2 3.94Å; Y323-V615 HydrophobicContact CE2-CG2 4.23Å; Y323-F1007 AromaticContact CD2-CE1 3.98Å; Y323-F1007 HydrophobicContact CD2-CE1 3.98Å; Y323-F1007 HydrophobicContact CD2-CE2 4.44Å; Y323-F1007 AromaticContact CD2-CZ 3.75Å; Y323-F1007 HydrophobicContact CD2-CZ 3.75Å; Y323-F1007 HydrophobicContact CG-CZ 4.27Å
324	S	77.3	Confident	71.2	Confident	8 Å²	8	56.4 Å²	56.4	6%	0.056	27%	0.274	C	S	.	.	H	α-helix	trans	-71.4	-39.4	176.7	-59.1	0	0	0	0	112.1	I320 D321 M322 L327 D328 T385	I320-S324 VanDerWaalsContact O-CB 3.31Å; I320-S324 WeakPolarHBondContact O-CB 3.4Å; I320-S324 PolarHBondContact O-N 2.85Å; I320-S324 PolarHBondContact O-OG 3.36Å; D321-S324 WeakPolarHBondContact O-CB 3.35Å; D321-S324 PolarHBondContact O-N 3.42Å; D321-S324 VanDerWaalsContact O-N 3.13Å; M322-S324 VanDerWaalsContact C-N 3.29Å; M322-S324 PolarHBondContact O-N 3.25Å; S324-L327 PolarHBondContact O-N 3.49Å; S324-D328 VanDerWaalsContact O-CB 3.32Å; S324-D328 WeakPolarHBondContact O-CB 3.41Å; S324-D328 VanDerWaalsContact O-CG 3.27Å; S324-D328 PolarHBondContact O-N 3.34Å; S324-T385 VanDerWaalsContact OG-CG2 3.29Å; S324-T385 WeakPolarHBondContact OG-CG2 3.31Å
325	E	78.2	Confident	71.6	Confident	75 Å²	75	51.4 Å²	51.4	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-63	-40.2	171.7	-73	175.9	-168.3	0	0	111.8	K317 D321 M322 D328 V329	K317-E325 WeakPolarHBondContact CD-OE1 3.49Å; K317-E325 WeakPolarHBondContact CE-OE1 3.44Å; K317-E325 IonicContact NZ-OE1 3.29Å; K317-E325 PolarHBondContact NZ-OE1 3.08Å; K317-E325 IonicContact NZ-OE2 2.87Å; K317-E325 PolarHBondContact NZ-OE2 2.89Å; D321-E325 WeakPolarHBondContact O-CG 3.33Å; D321-E325 PolarHBondContact O-N 2.73Å; M322-E325 PolarHBondContact O-N 3.13Å; E325-D328 PolarHBondContact O-N 2.74Å; E325-V329 WeakPolarHBondContact O-CB 3.5Å; E325-V329 WeakPolarHBondContact O-CG2 3.12Å; E325-V329 PolarHBondContact O-N 2.66Å
326	V	81.3	Confident	71.5	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.03	26%	0.262	C	S	.	.	H	α-helix	trans	-63.2	-48.2	172.6	165.9	0	0	0	0	111.1	M322 Y323 D328 V329 L330 L343 K1003 L1004 F1007	M322-V326 WeakPolarHBondContact O-CG2 3.27Å; M322-V326 PolarHBondContact O-N 3.19Å; Y323-V326 PolarHBondContact O-N 2.88Å; V326-D328 VanDerWaalsContact C-N 3.31Å; V326-D328 PolarHBondContact O-N 3.31Å; V326-V329 PolarHBondContact O-N 3.29Å; V326-L330 HydrophobicContact CG1-CD1 3.81Å; V326-L330 WeakPolarHBondContact O-CB 3.45Å; V326-L330 VanDerWaalsContact O-CG 3.26Å; V326-L330 WeakPolarHBondContact O-CG 3.38Å; V326-L330 PolarHBondContact O-N 2.88Å; V326-L343 HydrophobicContact CG1-CD1 3.81Å; V326-K1003 HydrophobicContact CG2-CB 4.04Å; V326-L1004 HydrophobicContact CG1-CD2 3.56Å; V326-L1004 HydrophobicContact CG1-CG 4.21Å; V326-L1004 HydrophobicContact CG2-CD2 4.48Å; V326-F1007 HydrophobicContact CG2-CB 4.45Å
327	L	75.5	Confident	71.3	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-57.3	-42.2	175.8	-86.2	169.6	0	0	0	112.6	Y323 S324 S331 L343 V450	Y323-L327 HydrophobicContact CD1-CD1 3.71Å; Y323-L327 HydrophobicContact CD1-CG 4.36Å; Y323-L327 HydrophobicContact CE1-CD1 3.44Å; Y323-L327 VanDerWaalsContact CE1-CD1 3.44Å; Y323-L327 HydrophobicContact CE1-CG 4.08Å; Y323-L327 WeakPolarHBondContact O-CB 3.25Å; Y323-L327 WeakPolarHBondContact O-CG 3.5Å; Y323-L327 PolarHBondContact O-N 2.89Å; S324-L327 PolarHBondContact O-N 3.49Å; L327-S331 PolarHBondContact O-N 3.37Å; L327-S331 VanDerWaalsContact O-N 3.08Å; L327-L343 HydrophobicContact CD2-CB 3.69Å; L327-L343 HydrophobicContact CD2-CD1 3.83Å; L327-L343 HydrophobicContact CD2-CG 4.4Å; L327-L343 HydrophobicContact CG-CD1 4.06Å; L327-V450 HydrophobicContact CD1-CG2 4.08Å
328	D	75.5	Confident	70.5	Confident	29 Å²	29	48.6 Å²	48.6	16%	0.155	27%	0.265	C	S	.	.	H	α-helix	trans	-73	-43.3	-177.2	-76.1	-21.9	0	0	0	111.4	S324 E325 V326 L330 S331 D332 K383 K397	S324-D328 VanDerWaalsContact O-CB 3.32Å; S324-D328 WeakPolarHBondContact O-CB 3.41Å; S324-D328 VanDerWaalsContact O-CG 3.27Å; S324-D328 PolarHBondContact O-N 3.34Å; E325-D328 PolarHBondContact O-N 2.74Å; V326-D328 VanDerWaalsContact C-N 3.31Å; V326-D328 PolarHBondContact O-N 3.31Å; D328-L330 VanDerWaalsContact C-N 3.32Å; D328-L330 PolarHBondContact O-N 3.1Å; D328-S331 WeakPolarHBondContact CA-OG 3.27Å; D328-S331 CarbonylContact O-C 3.56Å; D328-S331 WeakPolarHBondContact O-CA 3.32Å; D328-S331 WeakPolarHBondContact O-CB 3.44Å; D328-S331 PolarHBondContact O-N 2.95Å; D328-S331 PolarHBondContact O-OG 2.68Å; D328-D332 PolarHBondContact O-N 2.77Å; D328-K383 IonicContact OD1-NZ 3.22Å; D328-K383 PolarHBondContact OD1-NZ 3.39Å; D328-K397 VanDerWaalsContact CG-CE 3.49Å; D328-K397 IonicContact OD1-NZ 2.76Å; D328-K397 PolarHBondContact OD1-NZ 3.44Å; D328-K397 WeakPolarHBondContact OD2-CE 3.42Å; D328-K397 IonicContact OD2-NZ 2.66Å; D328-K397 PolarHBondContact OD2-NZ 2.94Å
329	V	76.4	Confident	69.4	Low	29 Å²	29	48.5 Å²	48.5	18%	0.176	26%	0.263	C	S	.	.	H	α-helix	trans	-66.1	-35.3	176.4	175.7	0	0	0	0	111.5	E325 V326 S331 D332 Y333 I1000 K1003	E325-V329 WeakPolarHBondContact O-CB 3.5Å; E325-V329 WeakPolarHBondContact O-CG2 3.12Å; E325-V329 PolarHBondContact O-N 2.66Å; V326-V329 PolarHBondContact O-N 3.29Å; V329-S331 PolarHBondContact O-N 3.41Å; V329-D332 PolarHBondContact O-N 3.37Å; V329-Y333 WeakPolarHBondContact O-CB 3.35Å; V329-Y333 PolarHBondContact O-N 2.77Å; V329-I1000 HydrophobicContact CG1-CG1 3.78Å; V329-K1003 HydrophobicContact CG1-CD 4.46Å; V329-K1003 HydrophobicContact CG2-CD 3.93Å
330	L	74.8	Confident	68.2	Low	2 Å²	2	49.9 Å²	49.9	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-25.3	170.1	-72.3	169	0	0	0	112.6	V326 D328 D334 L343 F622 I1000	V326-L330 HydrophobicContact CG1-CD1 3.81Å; V326-L330 WeakPolarHBondContact O-CB 3.45Å; V326-L330 VanDerWaalsContact O-CG 3.26Å; V326-L330 WeakPolarHBondContact O-CG 3.38Å; V326-L330 PolarHBondContact O-N 2.88Å; D328-L330 VanDerWaalsContact C-N 3.32Å; D328-L330 PolarHBondContact O-N 3.1Å; L330-D334 PolarHBondContact O-N 3.12Å; L330-L343 HydrophobicContact CD1-CD1 3.47Å; L330-L343 VanDerWaalsContact CD1-CD1 3.47Å; L330-L343 HydrophobicContact CD1-CG 4.18Å; L330-F622 HydrophobicContact CD2-CE1 4.41Å; L330-F622 HydrophobicContact CD2-CE2 3.55Å; L330-F622 HydrophobicContact CD2-CZ 3.42Å; L330-F622 VanDerWaalsContact CD2-CZ 3.42Å; L330-I1000 HydrophobicContact CD2-CG2 3.8Å
331	S	68.7	Low	67.2	Low	31 Å²	31	52.9 Å²	52.9	22%	0.217	29%	0.285	C	S	.	.	H	α-helix	trans	-77.5	-34.1	173.1	75	0	0	0	0	113.3	L327 D328 V329 Q340	L327-S331 PolarHBondContact O-N 3.37Å; L327-S331 VanDerWaalsContact O-N 3.08Å; D328-S331 WeakPolarHBondContact CA-OG 3.27Å; D328-S331 CarbonylContact O-C 3.56Å; D328-S331 WeakPolarHBondContact O-CA 3.32Å; D328-S331 WeakPolarHBondContact O-CB 3.44Å; D328-S331 PolarHBondContact O-N 2.95Å; D328-S331 PolarHBondContact O-OG 2.68Å; V329-S331 PolarHBondContact O-N 3.41Å; S331-Q340 VanDerWaalsContact CB-CD 3.48Å
332	D	69.6	Low	66.5	Low	129 Å²	129	54.3 Å²	54.3	69%	0.69	29%	0.291	S	S	*	.	H	α-helix	trans	-75.1	-29.6	175.2	-59.1	-29.7	0	0	0	112.1	D328 V329	D328-D332 PolarHBondContact O-N 2.77Å; V329-D332 PolarHBondContact O-N 3.37Å
333	Y	68.4	Low	66.3	Low	77 Å²	77	52.5 Å²	52.5	30%	0.302	28%	0.282	S	S	.	.	H	α-helix	trans	-70.7	-38.6	173.6	-176.4	-108.1	0	0	0	112.9	V329 F622 K996 V997 I1000	V329-Y333 WeakPolarHBondContact O-CB 3.35Å; V329-Y333 PolarHBondContact O-N 2.77Å; Y333-F622 HydrophobicContact CD1-CE1 4.37Å; Y333-F622 AromaticContact CE1-CE1 3.97Å; Y333-F622 HydrophobicContact CE1-CE1 3.97Å; Y333-K996 HydrophobicContact CD2-CB 3.87Å; Y333-K996 HydrophobicContact CD2-CD 3.98Å; Y333-K996 HydrophobicContact CD2-CG 4.49Å; Y333-K996 HydrophobicContact CE2-CB 3.91Å; Y333-K996 HydrophobicContact CE2-CD 4.14Å; Y333-V997 HydrophobicContact CE2-CG2 4.01Å; Y333-V997 WeakPolarHBondContact OH-CG2 3.41Å; Y333-I1000 HydrophobicContact CD1-CD1 3.92Å; Y333-I1000 HydrophobicContact CD2-CD1 3.49Å; Y333-I1000 VanDerWaalsContact CD2-CD1 3.49Å; Y333-I1000 HydrophobicContact CE1-CD1 4.41Å; Y333-I1000 HydrophobicContact CE2-CD1 4.03Å; Y333-I1000 HydrophobicContact CG-CD1 3.43Å; Y333-I1000 VanDerWaalsContact CG-CD1 3.43Å
334	D	59.4	Low	66.3	Low	6 Å²	6	52.5 Å²	52.5	3%	0.032	28%	0.282	C	S	.	.			trans	-123.5	83.2	-166.4	-175.4	25.5	0	0	0	113.3	L330 S336 Y337 N338 T339 Q340	L330-D334 PolarHBondContact O-N 3.12Å; D334-S336 PolarHBondContact O-N 3.27Å; D334-S336 WeakPolarHBondContact OD1-CA 3.42Å; D334-S336 WeakPolarHBondContact OD1-CB 3.31Å; D334-S336 PolarHBondContact OD1-N 3.4Å; D334-S336 PolarHBondContact OD1-OG 3.5Å; D334-Y337 PolarHBondContact OD1-N 3.3Å; D334-Y337 PolarHBondContact OD2-N 3.14Å; D334-N338 PolarHBondContact OD2-N 3.34Å; D334-T339 VanDerWaalsContact CB-OG1 3.25Å; D334-T339 WeakPolarHBondContact CB-OG1 3.23Å; D334-T339 PolarHBondContact OD2-N 2.99Å; D334-T339 PolarHBondContact OD2-OG1 3.19Å; D334-T339 VanDerWaalsContact OD2-OG1 3.08Å; D334-Q340 PolarHBondContact O-NE2 3.11Å; D334-Q340 VanDerWaalsContact O-NE2 3.11Å
335	A	51.4	Low	66.8	Low	97 Å²	97	53.6 Å²	53.6	80%	0.802	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	1.9	162.8	0	0	0	0	0	113.3
336	S	43.8	Very low	67.5	Low	92 Å²	92	50 Å²	50	64%	0.643	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	21.8	-178.9	52.9	0	0	0	0	114.4	D334 N338	D334-S336 PolarHBondContact O-N 3.27Å; D334-S336 WeakPolarHBondContact OD1-CA 3.42Å; D334-S336 WeakPolarHBondContact OD1-CB 3.31Å; D334-S336 PolarHBondContact OD1-N 3.4Å; D334-S336 PolarHBondContact OD1-OG 3.5Å; S336-N338 VanDerWaalsContact C-N 3.28Å; S336-N338 PolarHBondContact O-N 2.95Å; S336-N338 VanDerWaalsContact O-N 3.1Å
337	Y	48.6	Very low	68	Low	196 Å²	196	49.9 Å²	49.9	77%	0.769	27%	0.267	S	S	*	.	S	Bend	trans	62.3	13.2	160.8	-71.3	-89.8	0	0	0	117.6	D334	D334-Y337 PolarHBondContact OD1-N 3.3Å; D334-Y337 PolarHBondContact OD2-N 3.14Å
338	N	54	Low	68.9	Low	121 Å²	121	49.9 Å²	49.9	65%	0.647	27%	0.267	S	S	*	.	S	Bend	trans	-115.3	-17.1	-164.2	-156.1	34.3	0	0	0	115.2	D334 S336 H342	D334-N338 PolarHBondContact OD2-N 3.34Å; S336-N338 VanDerWaalsContact C-N 3.28Å; S336-N338 PolarHBondContact O-N 2.95Å; S336-N338 VanDerWaalsContact O-N 3.1Å; N338-H342 PolarHBondContact O-CE1 2.9Å
339	T	53.3	Low	69.6	Low	28 Å²	28	48.6 Å²	48.6	17%	0.172	26%	0.26	C	S	.	.	S	Bend	trans	-109.6	-30.2	176.7	61.7	0	0	0	0	113.2	D334 D341 H342 F622	D334-T339 VanDerWaalsContact CB-OG1 3.25Å; D334-T339 WeakPolarHBondContact CB-OG1 3.23Å; D334-T339 PolarHBondContact OD2-N 2.99Å; D334-T339 PolarHBondContact OD2-OG1 3.19Å; D334-T339 VanDerWaalsContact OD2-OG1 3.08Å; T339-D341 PolarHBondContact O-N 3.11Å; T339-H342 PolarHBondContact O-N 2.58Å; T339-H342 VanDerWaalsContact O-N 3.15Å; T339-F622 HydrophobicContact CG2-CZ 4.41Å
340	Q	54.4	Low	70.3	Confident	44 Å²	44	47.2 Å²	47.2	21%	0.206	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-57.7	-30.1	176.5	-72	-166.9	52.1	0	0	113.6	S331 D334 H342 R345	S331-Q340 VanDerWaalsContact CB-CD 3.48Å; D334-Q340 PolarHBondContact O-NE2 3.11Å; D334-Q340 VanDerWaalsContact O-NE2 3.11Å; Q340-H342 VanDerWaalsContact C-N 3.29Å; Q340-H342 PolarHBondContact O-N 3.08Å; Q340-R345 PolarHBondContact O-NH2 3.38Å
341	D	58.8	Low	71	Confident	62 Å²	62	48.5 Å²	48.5	33%	0.332	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-80.2	-6	-177.6	-90	-15.3	0	0	0	113.8	T339 L343 N483 N485	T339-D341 PolarHBondContact O-N 3.11Å; D341-L343 VanDerWaalsContact C-N 3.31Å; D341-N483 VanDerWaalsContact CA-ND2 3.27Å; D341-N483 WeakPolarHBondContact CA-ND2 3.33Å; D341-N483 HydrophobicContact CB-CB 4.33Å; D341-N483 WeakPolarHBondContact CB-ND2 3.29Å; D341-N483 VanDerWaalsContact CG-ND2 3.28Å; D341-N483 VanDerWaalsContact O-CG 3.3Å; D341-N483 PolarHBondContact O-ND2 3.36Å; D341-N483 PolarHBondContact O-OD1 3Å; D341-N483 PolarHBondContact OD1-ND2 3.44Å; D341-N485 PolarHBondContact O-ND2 2.6Å
342	H	64.7	Low	71.8	Confident	68 Å²	68	51.2 Å²	51.2	32%	0.315	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-78	-14.4	174.3	-62	138.7	0	0	0	114.2	N338 T339 Q340 N485 S614 Q618	N338-H342 PolarHBondContact O-CE1 2.9Å; T339-H342 PolarHBondContact O-N 2.58Å; T339-H342 VanDerWaalsContact O-N 3.15Å; Q340-H342 VanDerWaalsContact C-N 3.29Å; Q340-H342 PolarHBondContact O-N 3.08Å; H342-N485 WeakPolarHBondContact CA-ND2 3.2Å; H342-N485 PolarHBondContact O-ND2 3.27Å; H342-S614 WeakPolarHBondContact O-CB 3.29Å; H342-Q618 HydrophobicContact CB-CG 3.7Å; H342-Q618 PolarHBondContact ND1-NE2 2.74Å; H342-Q618 PolarHBondContact ND1-OE1 3.48Å
343	L	75.3	Confident	72.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-100.3	125	-178.3	-70	-169.2	0	0	0	112.4	Y323 V326 L327 L330 D341 V615 Q618	Y323-L343 HydrophobicContact CE2-CB 4.5Å; Y323-L343 HydrophobicContact CE2-CD1 4.21Å; Y323-L343 HydrophobicContact CE2-CD2 4.33Å; V326-L343 HydrophobicContact CG1-CD1 3.81Å; L327-L343 HydrophobicContact CD2-CB 3.69Å; L327-L343 HydrophobicContact CD2-CD1 3.83Å; L327-L343 HydrophobicContact CD2-CG 4.4Å; L327-L343 HydrophobicContact CG-CD1 4.06Å; L330-L343 HydrophobicContact CD1-CD1 3.47Å; L330-L343 VanDerWaalsContact CD1-CD1 3.47Å; L330-L343 HydrophobicContact CD1-CG 4.18Å; D341-L343 VanDerWaalsContact C-N 3.31Å; L343-V615 HydrophobicContact CD2-CG2 3.59Å; L343-Q618 HydrophobicContact CD2-CG 4.33Å
344	P	83.4	Confident	73.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.			trans	-57.1	143.7	-177.4	-28	34	0	0	0	115.3	Y323 N485 F607 M610 V611 S614	Y323-P344 WeakPolarHBondContact OH-CD 3Å; Y323-P344 VanDerWaalsContact OH-N 3.16Å; Y323-P344 PolarHBondContact OH-O 3.28Å; P344-N485 WeakPolarHBondContact CA-O 3.44Å; P344-N485 HydrophobicContact CG-CB 4.23Å; P344-F607 HydrophobicContact CB-CD2 4.44Å; P344-F607 WeakPolarHBondContact O-CE2 3.33Å; P344-M610 HydrophobicContact CB-CB 4.14Å; P344-M610 HydrophobicContact CG-CB 3.68Å; P344-V611 HydrophobicContact CB-CG2 4.1Å; P344-V611 HydrophobicContact CG-CG2 4.11Å; P344-S614 WeakPolarHBondContact CD-OG 3.27Å; P344-S614 WeakPolarHBondContact CG-OG 3.4Å
345	R	87.8	Confident	74.4	Confident	32 Å²	32	46.2 Å²	46.2	12%	0.121	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	149.3	175.7	-52.6	179.1	-161.4	-172.1	4.3	108.1	Q340 A486 I487	Q340-R345 PolarHBondContact O-NH2 3.38Å; R345-A486 WeakPolarHBondContact O-CA 3.17Å; R345-I487 PolarHBondContact O-N 3.09Å
346	V	92.2	Very high	76.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	108.8	176.5	-176.7	0	0	0	0	108.9	V450 L451 V452 I487 L489 V603 F607	V346-V450 PolarHBondContact N-O 2.96Å; V346-L451 HydrophobicContact CB-CD2 3.94Å; V346-L451 HydrophobicContact CG1-CD2 3.77Å; V346-L451 CarbonylContact O-C 3.55Å; V346-L451 WeakPolarHBondContact O-CA 3.29Å; V346-V452 PolarHBondContact O-N 3.25Å; V346-I487 CarbonylContact C-O 3.59Å; V346-I487 WeakPolarHBondContact CA-O 3.33Å; V346-I487 HydrophobicContact CG1-CG2 4.41Å; V346-I487 HydrophobicContact CG2-CB 4.26Å; V346-I487 HydrophobicContact CG2-CD1 4.38Å; V346-I487 HydrophobicContact CG2-CG2 4.48Å; V346-L489 HydrophobicContact CG1-CB 4.02Å; V346-V603 HydrophobicContact CB-CG1 4.46Å; V346-V603 HydrophobicContact CG1-CG1 3.95Å; V346-V603 HydrophobicContact CG2-CG1 3.78Å; V346-F607 HydrophobicContact CG2-CB 4.4Å; V346-F607 HydrophobicContact CG2-CD2 4.1Å
347	V	92.6	Very high	78.3	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	122.1	-176.5	-179.6	0	0	0	0	109.5	V349 L454 A486 I487 L489	V347-V349 HydrophobicContact CG1-CG2 3.85Å; V347-L454 HydrophobicContact CG1-CD1 3.57Å; V347-L454 HydrophobicContact CG1-CG 4.1Å; V347-A486 HydrophobicContact CG2-CB 3.89Å; V347-I487 PolarHBondContact N-O 2.61Å; V347-L489 PolarHBondContact O-N 3.18Å
348	V	92.9	Very high	80.2	Confident	2 Å²	2	31 Å²	31	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	118.1	-175	-170.9	0	0	0	0	110.4	K356 L360 L451 V452 L489 I491	V348-K356 HydrophobicContact CG1-CB 4.13Å; V348-K356 HydrophobicContact CG1-CD 4.16Å; V348-K356 HydrophobicContact CG1-CG 4.04Å; V348-L360 HydrophobicContact CG2-CD1 4.33Å; V348-L451 HydrophobicContact CG2-CD2 4.19Å; V348-V452 WeakPolarHBondContact CB-O 3.26Å; V348-V452 PolarHBondContact N-O 2.74Å; V348-L489 HydrophobicContact CG1-CD2 4.45Å; V348-L489 HydrophobicContact CG2-CB 4.47Å; V348-L489 HydrophobicContact CG2-CD2 4.13Å; V348-I491 HydrophobicContact CG1-CD1 3.44Å; V348-I491 VanDerWaalsContact CG1-CD1 3.44Å; V348-I491 HydrophobicContact CG1-CG1 4.24Å
349	V	92.1	Very high	81.9	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.012	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.4	-173.4	-161.7	0	0	0	0	110	V347 L454 M481 I488 L489 C490 I491 V503	V347-V349 HydrophobicContact CG1-CG2 3.85Å; V349-L454 HydrophobicContact CG2-CD1 4.38Å; V349-M481 HydrophobicContact CB-SD 4.48Å; V349-M481 HydrophobicContact CG1-CE 3.89Å; V349-M481 HydrophobicContact CG1-SD 4.3Å; V349-M481 HydrophobicContact CG2-CE 4.18Å; V349-M481 HydrophobicContact CG2-CG 4.18Å; V349-M481 HydrophobicContact CG2-SD 3.9Å; V349-I488 HydrophobicContact CG2-CG2 4.32Å; V349-L489 PolarHBondContact N-O 2.84Å; V349-L489 VanDerWaalsContact O-O 3.13Å; V349-C490 WeakPolarHBondContact O-CA 3.33Å; V349-I491 PolarHBondContact O-N 2.96Å; V349-V503 HydrophobicContact CB-CG1 4.3Å; V349-V503 HydrophobicContact CG1-CG1 3.76Å; V349-V503 HydrophobicContact CG1-CG2 4.32Å
350	G	90.9	Very high	83.7	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.01	13%	0.133	C	C	.	.			trans	164.3	157.8	-172.3	0	0	0	0	0	110.9	K356 V457 I491	G350-K356 PolarHBondContact O-NZ 2.75Å; G350-V457 PolarHBondContact O-N 3.33Å; G350-I491 VanDerWaalsContact CA-O 3.24Å; G350-I491 WeakPolarHBondContact CA-O 3.39Å
351	D	88.8	Confident	85.4	Confident	28 Å²	28	22 Å²	22	15%	0.15	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-62.5	164	-178.8	-55.1	-61.8	0	0	0	111.6	S353 A354 K356 S501	D351-S353 PolarHBondContact O-N 2.85Å; D351-A354 HydrophobicContact CB-CB 4.33Å; D351-A354 WeakPolarHBondContact O-CB 3.41Å; D351-A354 PolarHBondContact O-N 3.29Å; D351-K356 PolarHBondContact O-NZ 3.42Å; D351-S501 VanDerWaalsContact CG-OG 3.32Å; D351-S501 PolarHBondContact OD1-OG 3.25Å; D351-S501 WeakPolarHBondContact OD2-CB 3.27Å; D351-S501 PolarHBondContact OD2-OG 3.23Å
352	Q	86.3	Confident	86.8	Confident	89 Å²	89	19.7 Å²	19.7	42%	0.416	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	139.1	167.6	-167.1	-179.1	12.8	0	0	110.2	A354 V457 I458	Q352-A354 PolarHBondContact O-N 3.11Å; Q352-A354 VanDerWaalsContact O-N 3.08Å; Q352-V457 PolarHBondContact N-O 3.47Å; Q352-I458 HydrophobicContact CB-CG2 4.16Å
353	S	82.3	Confident	88	Confident	92 Å²	92	16.8 Å²	16.8	64%	0.643	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	3.3	-178.8	-54.5	0	0	0	0	117.3	D351 G355 K523	D351-S353 PolarHBondContact O-N 2.85Å; S353-G355 PolarHBondContact O-N 3.24Å; S353-G355 VanDerWaalsContact O-N 3.1Å; S353-K523 PolarHBondContact O-NZ 3.44Å
354	A	83.9	Confident	88.7	Confident	2 Å²	2	16.8 Å²	16.8	2%	0.017	10%	0.097	C	C	.	.	S	Bend	trans	-69.7	0.9	175.2	0	0	0	0	0	115.1	D351 Q352 I491 D493 T522	D351-A354 HydrophobicContact CB-CB 4.33Å; D351-A354 WeakPolarHBondContact O-CB 3.41Å; D351-A354 PolarHBondContact O-N 3.29Å; Q352-A354 PolarHBondContact O-N 3.11Å; Q352-A354 VanDerWaalsContact O-N 3.08Å; A354-I491 WeakPolarHBondContact O-CG2 3.33Å; A354-D493 HydrophobicContact CB-CB 4.42Å; A354-T522 PolarHBondContact O-OG1 3.11Å
355	G	85.9	Confident	88.9	Confident	13 Å²	13	20 Å²	20	13%	0.134	11%	0.112	C	C	.	.	S	Bend	trans	94.2	4.2	174	0	0	0	0	0	116.4	S353 T357 S358 V359	S353-G355 PolarHBondContact O-N 3.24Å; S353-G355 VanDerWaalsContact O-N 3.1Å; G355-T357 PolarHBondContact O-N 3.4Å; G355-S358 CarbonylContact O-C 3.56Å; G355-S358 WeakPolarHBondContact O-CA 3.37Å; G355-S358 WeakPolarHBondContact O-CB 3.32Å; G355-S358 PolarHBondContact O-N 2.84Å; G355-V359 PolarHBondContact O-N 3.06Å
356	K	88.5	Confident	88.8	Confident	13 Å²	13	18.7 Å²	18.7	6%	0.057	11%	0.108	C	C	.	.	H	α-helix	trans	-38.2	-62.5	-180	-74.4	-170.3	-62.1	-61.7	0	114.2	V348 G350 D351 S358 V359 L360 L454 I491	V348-K356 HydrophobicContact CG1-CB 4.13Å; V348-K356 HydrophobicContact CG1-CD 4.16Å; V348-K356 HydrophobicContact CG1-CG 4.04Å; G350-K356 PolarHBondContact O-NZ 2.75Å; D351-K356 PolarHBondContact O-NZ 3.42Å; K356-S358 VanDerWaalsContact C-N 3.3Å; K356-S358 PolarHBondContact O-N 3.2Å; K356-V359 WeakPolarHBondContact O-CB 3.16Å; K356-V359 PolarHBondContact O-N 3.08Å; K356-L360 PolarHBondContact O-N 2.88Å; K356-L454 WeakPolarHBondContact CE-O 3.31Å; K356-I491 HydrophobicContact CB-CD1 4.42Å; K356-I491 HydrophobicContact CG-CB 4.15Å; K356-I491 HydrophobicContact CG-CD1 4.27Å; K356-I491 HydrophobicContact CG-CG2 4.49Å
357	T	88.1	Confident	88.5	Confident	30 Å²	30	19.5 Å²	19.5	18%	0.184	11%	0.112	C	C	.	.	H	α-helix	trans	-63.5	-35.5	-176.7	-42.6	0	0	0	0	111.7	G355 L360 E361 F369 D453	G355-T357 PolarHBondContact O-N 3.4Å; T357-L360 PolarHBondContact O-N 3.19Å; T357-E361 VanDerWaalsContact O-CG 3.31Å; T357-E361 WeakPolarHBondContact O-CG 3.41Å; T357-E361 PolarHBondContact O-N 2.95Å; T357-F369 HydrophobicContact CG2-CB 3.48Å; T357-F369 VanDerWaalsContact CG2-CB 3.48Å; T357-F369 HydrophobicContact CG2-CD1 3.91Å; T357-F369 HydrophobicContact CG2-CD2 3.34Å; T357-F369 HydrophobicContact CG2-CE1 4.47Å; T357-F369 HydrophobicContact CG2-CE2 3.99Å; T357-F369 HydrophobicContact CG2-CG 3.29Å; T357-D453 PolarHBondContact OG1-OD2 3.41Å
358	S	88.6	Confident	88.2	Confident	23 Å²	23	19.4 Å²	19.4	16%	0.161	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-36.5	172.7	-57.1	0	0	0	0	112.7	G355 K356 M362 R371 T558	G355-S358 CarbonylContact O-C 3.56Å; G355-S358 WeakPolarHBondContact O-CA 3.37Å; G355-S358 WeakPolarHBondContact O-CB 3.32Å; G355-S358 PolarHBondContact O-N 2.84Å; K356-S358 VanDerWaalsContact C-N 3.3Å; K356-S358 PolarHBondContact O-N 3.2Å; S358-M362 VanDerWaalsContact O-CG 3.25Å; S358-M362 WeakPolarHBondContact O-CG 3.43Å; S358-M362 PolarHBondContact O-N 2.88Å; S358-M362 VanDerWaalsContact O-N 3.13Å; S358-R371 PolarHBondContact OG-NH2 2.87Å; S358-R371 VanDerWaalsContact OG-NH2 3.1Å; S358-T558 WeakPolarHBondContact CB-OG1 3.43Å
359	V	90.1	Very high	88	Confident	1 Å²	1	19.4 Å²	19.4	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-67.1	-41.7	173.6	175.1	0	0	0	0	110.1	G355 K356 M362 I363 I491 T522 V556 T558 L599	G355-V359 PolarHBondContact O-N 3.06Å; K356-V359 WeakPolarHBondContact O-CB 3.16Å; K356-V359 PolarHBondContact O-N 3.08Å; V359-M362 PolarHBondContact O-N 3.49Å; V359-I363 HydrophobicContact CG1-CD1 3.85Å; V359-I363 HydrophobicContact CG1-CG1 4.47Å; V359-I363 VanDerWaalsContact O-CG1 3.32Å; V359-I363 WeakPolarHBondContact O-CG1 3.2Å; V359-I363 PolarHBondContact O-N 3.45Å; V359-I491 HydrophobicContact CB-CD1 3.87Å; V359-I491 HydrophobicContact CG1-CD1 3.96Å; V359-I491 HydrophobicContact CG2-CD1 4.12Å; V359-I491 HydrophobicContact CG2-CG2 4.32Å; V359-T522 HydrophobicContact CG2-CG2 3.75Å; V359-V556 HydrophobicContact CG2-CG2 4.17Å; V359-T558 HydrophobicContact CG2-CG2 3.76Å; V359-L599 HydrophobicContact CG1-CD2 4.14Å
360	L	90.2	Very high	87.6	Confident	2 Å²	2	19.9 Å²	19.9	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-66	-42.9	178	-150	165.6	0	0	0	111.8	V348 K356 T357 M362 I363 A364 F369 V384 L451 D453	V348-L360 HydrophobicContact CG2-CD1 4.33Å; K356-L360 PolarHBondContact O-N 2.88Å; T357-L360 PolarHBondContact O-N 3.19Å; L360-M362 VanDerWaalsContact C-N 3.3Å; L360-M362 PolarHBondContact O-N 3.36Å; L360-I363 PolarHBondContact O-N 2.86Å; L360-I363 VanDerWaalsContact O-N 3.15Å; L360-A364 HydrophobicContact CD2-CB 4.46Å; L360-A364 WeakPolarHBondContact O-CB 3.37Å; L360-A364 PolarHBondContact O-N 3.24Å; L360-F369 HydrophobicContact CD1-CZ 4.47Å; L360-F369 HydrophobicContact CD2-CE2 4.14Å; L360-F369 HydrophobicContact CD2-CZ 4.47Å; L360-V384 HydrophobicContact CD2-CB 4.26Å; L360-V384 HydrophobicContact CD2-CG1 4.31Å; L360-V384 HydrophobicContact CD2-CG2 4.16Å; L360-L451 HydrophobicContact CD1-CB 4.28Å; L360-L451 HydrophobicContact CD2-CD1 4.08Å; L360-L451 HydrophobicContact CG-CD1 4.15Å; L360-D453 HydrophobicContact CD1-CB 3.75Å
361	E	89.6	Confident	86.9	Confident	1 Å²	1	25 Å²	25	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-55.5	-42.2	171.2	-74.2	174.8	164.7	0	0	112.3	T357 Q365 A366 R367 F369 R371 I567	T357-E361 VanDerWaalsContact O-CG 3.31Å; T357-E361 WeakPolarHBondContact O-CG 3.41Å; T357-E361 PolarHBondContact O-N 2.95Å; E361-Q365 CarbonylContact O-C 3.58Å; E361-Q365 WeakPolarHBondContact O-CA 3.08Å; E361-Q365 PolarHBondContact O-N 2.6Å; E361-A366 WeakPolarHBondContact CA-O 3.37Å; E361-A366 WeakPolarHBondContact CB-O 3.26Å; E361-A366 WeakPolarHBondContact CG-O 3.36Å; E361-A366 PolarHBondContact O-N 3.02Å; E361-R367 WeakPolarHBondContact OE2-CD 3.31Å; E361-R367 IonicContact OE2-CZ 2.63Å; E361-R367 IonicContact OE2-NE 2.73Å; E361-R367 IonicContact OE2-NH1 2.58Å; E361-R367 PolarHBondContact OE2-NH1 2.87Å; E361-F369 HydrophobicContact CG-CD2 3.99Å; E361-R371 IonicContact OE1-CZ 2.66Å; E361-R371 IonicContact OE1-NE 3.26Å; E361-R371 PolarHBondContact OE1-NE 3.22Å; E361-R371 VanDerWaalsContact OE1-NE 3.1Å; E361-R371 IonicContact OE1-NH2 2.65Å; E361-R371 IonicContact OE2-CZ 2.7Å; E361-R371 IonicContact OE2-NE 3.52Å; E361-R371 IonicContact OE2-NH2 2.74Å; E361-R371 PolarHBondContact OE2-NH2 3.31Å; E361-I567 HydrophobicContact CB-CD1 4.4Å
362	M	89.2	Confident	85.8	Confident	13 Å²	13	25.8 Å²	25.8	6%	0.064	15%	0.147	C	C	.	.	H	α-helix	trans	-68.1	-34.8	176.9	-69.3	-64.9	-60	0	0	112.7	S358 V359 L360 Q365 T558 I567 I570 R571 T596	S358-M362 VanDerWaalsContact O-CG 3.25Å; S358-M362 WeakPolarHBondContact O-CG 3.43Å; S358-M362 PolarHBondContact O-N 2.88Å; S358-M362 VanDerWaalsContact O-N 3.13Å; V359-M362 PolarHBondContact O-N 3.49Å; L360-M362 VanDerWaalsContact C-N 3.3Å; L360-M362 PolarHBondContact O-N 3.36Å; M362-Q365 PolarHBondContact O-N 3Å; M362-T558 HydrophobicContact CG-CG2 4.3Å; M362-I567 HydrophobicContact CE-CG2 4.21Å; M362-I567 HydrophobicContact SD-CD1 3.83Å; M362-I567 HydrophobicContact SD-CG2 3.89Å; M362-I570 HydrophobicContact CE-CB 4.3Å; M362-I570 HydrophobicContact CE-CG2 3.68Å; M362-I570 HydrophobicContact SD-CB 4.07Å; M362-I570 HydrophobicContact SD-CG2 3.5Å; M362-I570 WeakPolarHBondContact SD-CG2 3.48Å; M362-R571 HydrophobicContact CE-CB 4.35Å; M362-T596 HydrophobicContact CB-CG2 3.79Å
363	I	90.3	Very high	84.5	Confident	6 Å²	6	27.8 Å²	27.8	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-73.7	-39.1	176.3	-63	166.9	0	0	0	111.2	V359 L360 Q365 L386 M449 L451 T596	V359-I363 HydrophobicContact CG1-CD1 3.85Å; V359-I363 HydrophobicContact CG1-CG1 4.47Å; V359-I363 VanDerWaalsContact O-CG1 3.32Å; V359-I363 WeakPolarHBondContact O-CG1 3.2Å; V359-I363 PolarHBondContact O-N 3.45Å; L360-I363 PolarHBondContact O-N 2.86Å; L360-I363 VanDerWaalsContact O-N 3.15Å; I363-Q365 PolarHBondContact O-N 3.2Å; I363-L386 HydrophobicContact CG2-CD1 3.71Å; I363-M449 HydrophobicContact CG2-CE 4.36Å; I363-M449 HydrophobicContact CG2-SD 4.24Å; I363-L451 HydrophobicContact CG2-CD1 4.04Å; I363-T596 HydrophobicContact CG1-CG2 3.92Å
364	A	88.3	Confident	83.5	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-5.9	173.3	0	0	0	0	0	113.7	L360 A366 I368 L386 H392	L360-A364 HydrophobicContact CD2-CB 4.46Å; L360-A364 WeakPolarHBondContact O-CB 3.37Å; L360-A364 PolarHBondContact O-N 3.24Å; A364-A366 PolarHBondContact O-N 3.02Å; A364-I368 HydrophobicContact CB-CD1 4.42Å; A364-L386 HydrophobicContact CB-CD2 3.85Å; A364-H392 PolarHBondContact O-NE2 3.48Å
365	Q	87.6	Confident	82.8	Confident	68 Å²	68	32.3 Å²	32.3	32%	0.318	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	19.3	-174.2	-56.4	-177.6	31.1	0	0	115.2	E361 M362 I363 H392 L446	E361-Q365 CarbonylContact O-C 3.58Å; E361-Q365 WeakPolarHBondContact O-CA 3.08Å; E361-Q365 PolarHBondContact O-N 2.6Å; M362-Q365 PolarHBondContact O-N 3Å; I363-Q365 PolarHBondContact O-N 3.2Å; Q365-H392 PolarHBondContact O-CE1 3.32Å; Q365-L446 HydrophobicContact CB-CD2 3.97Å; Q365-L446 HydrophobicContact CG-CD2 3.68Å
366	A	86.4	Confident	82.2	Confident	4 Å²	4	32.5 Å²	32.5	3%	0.033	20%	0.203	C	C	.	.	S	Bend	trans	-146.2	144.3	-174.6	0	0	0	0	0	113.4	E361 A364 I368 L405	E361-A366 WeakPolarHBondContact CA-O 3.37Å; E361-A366 WeakPolarHBondContact CB-O 3.26Å; E361-A366 WeakPolarHBondContact CG-O 3.36Å; E361-A366 PolarHBondContact O-N 3.02Å; A364-A366 PolarHBondContact O-N 3.02Å; A366-I368 VanDerWaalsContact C-N 3.25Å; A366-I368 HydrophobicContact CB-CG2 3.74Å; A366-I368 PolarHBondContact O-N 3.49Å; A366-L405 HydrophobicContact CB-CB 4.29Å; A366-L405 HydrophobicContact CB-CD1 4.02Å; A366-L405 HydrophobicContact CB-CD2 4.39Å; A366-L405 HydrophobicContact CB-CG 4.48Å
367	R	86.1	Confident	81.8	Confident	18 Å²	18	33.7 Å²	33.7	7%	0.068	21%	0.21	C	C	.	.			trans	-77.9	63.6	177.3	-69.9	-66.7	-155.6	-154.3	0.3	112.2	E361 R371 L411 R415 E565 I567	E361-R367 WeakPolarHBondContact OE2-CD 3.31Å; E361-R367 IonicContact OE2-CZ 2.63Å; E361-R367 IonicContact OE2-NE 2.73Å; E361-R367 IonicContact OE2-NH1 2.58Å; E361-R367 PolarHBondContact OE2-NH1 2.87Å; R367-R371 VanDerWaalsContact NH1-NH2 3.2Å; R367-L411 HydrophobicContact CB-CD2 4.22Å; R367-R415 PolarHBondContact O-NE 3.49Å; R367-R415 PolarHBondContact O-NH2 2.97Å; R367-E565 PolarHBondContact NE-O 2.9Å; R367-E565 PolarHBondContact NH2-O 3.27Å; R367-I567 HydrophobicContact CG-CD1 4.03Å; R367-I567 HydrophobicContact CG-CG1 4.25Å
368	I	87.1	Confident	81.6	Confident	0 Å²	0	33 Å²	33	0%	0	21%	0.206	C	C	.	.			trans	-80.7	-18.7	-170.4	64.9	-176	0	0	0	115	A364 A366 L405 L411 L414 R415 I418 L439 V441	A364-I368 HydrophobicContact CB-CD1 4.42Å; A366-I368 VanDerWaalsContact C-N 3.25Å; A366-I368 HydrophobicContact CB-CG2 3.74Å; A366-I368 PolarHBondContact O-N 3.49Å; I368-L405 HydrophobicContact CG2-CD2 3.8Å; I368-L411 HydrophobicContact CG2-CD1 4.19Å; I368-L414 HydrophobicContact CB-CD2 4.07Å; I368-L414 HydrophobicContact CG2-CD2 3.91Å; I368-R415 WeakPolarHBondContact O-CG 3.34Å; I368-I418 WeakPolarHBondContact O-CD1 3.43Å; I368-L439 HydrophobicContact CD1-CD2 3.99Å; I368-V441 HydrophobicContact CD1-CG2 4.43Å
369	F	87.7	Confident	81.4	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.009	21%	0.205	C	C	.	.	S	Bend	trans	-96.4	149.3	-173	-67.5	-87.3	0	0	0	113.8	T357 L360 E361 V382 V384	T357-F369 HydrophobicContact CG2-CB 3.48Å; T357-F369 VanDerWaalsContact CG2-CB 3.48Å; T357-F369 HydrophobicContact CG2-CD1 3.91Å; T357-F369 HydrophobicContact CG2-CD2 3.34Å; T357-F369 HydrophobicContact CG2-CE1 4.47Å; T357-F369 HydrophobicContact CG2-CE2 3.99Å; T357-F369 HydrophobicContact CG2-CG 3.29Å; L360-F369 HydrophobicContact CD1-CZ 4.47Å; L360-F369 HydrophobicContact CD2-CE2 4.14Å; L360-F369 HydrophobicContact CD2-CZ 4.47Å; E361-F369 HydrophobicContact CG-CD2 3.99Å; F369-V382 HydrophobicContact CE1-CB 4.22Å; F369-V382 HydrophobicContact CE1-CG1 4.27Å; F369-V382 HydrophobicContact CE1-CG2 4.14Å; F369-V384 HydrophobicContact CZ-CG2 4.22Å
370	P	84.4	Confident	81.4	Confident	12 Å²	12	33.8 Å²	33.8	8%	0.078	21%	0.205	C	C	.	.			trans	-64.2	144.3	170.8	27.9	-34.9	0	0	0	111.5	M377 E419	P370-M377 HydrophobicContact CB-SD 4.27Å; P370-M377 WeakPolarHBondContact O-CG 3.5Å; P370-E419 HydrophobicContact CB-CB 4.16Å; P370-E419 HydrophobicContact CB-CG 4.3Å; P370-E419 HydrophobicContact CG-CB 4.08Å; P370-E419 HydrophobicContact CG-CG 4.3Å
371	R	76.6	Confident	81.4	Confident	109 Å²	109	33.7 Å²	33.7	41%	0.411	21%	0.205	S	C	.	.			trans	-131.1	126.9	-177	-72.3	172.8	163.2	-100.8	-15.7	109.4	S358 E361 R367	S358-R371 PolarHBondContact OG-NH2 2.87Å; S358-R371 VanDerWaalsContact OG-NH2 3.1Å; E361-R371 IonicContact OE1-CZ 2.66Å; E361-R371 IonicContact OE1-NE 3.26Å; E361-R371 PolarHBondContact OE1-NE 3.22Å; E361-R371 VanDerWaalsContact OE1-NE 3.1Å; E361-R371 IonicContact OE1-NH2 2.65Å; E361-R371 IonicContact OE2-CZ 2.7Å; E361-R371 IonicContact OE2-NE 3.52Å; E361-R371 IonicContact OE2-NH2 2.74Å; E361-R371 PolarHBondContact OE2-NH2 3.31Å; R367-R371 VanDerWaalsContact NH1-NH2 3.2Å
372	G	65.1	Low	81.5	Confident	43 Å²	43	33.7 Å²	33.7	44%	0.443	20%	0.204	S	C	.	.			trans	-148.9	144.2	179.3	0	0	0	0	0	111.8	G374 M377	G372-G374 PolarHBondContact O-N 2.8Å; G372-M377 PolarHBondContact N-SD 3.48Å; G372-M377 VanDerWaalsContact N-SD 3.41Å
373	S	58.4	Low	81.6	Confident	131 Å²	131	34 Å²	34	92%	0.916	21%	0.205	S	C	*	.	S	Bend	trans	-83.2	109.8	-177.6	49.7	0	0	0	0	111.7
374	G	60.8	Low	81.6	Confident	91 Å²	91	33.7 Å²	33.7	94%	0.938	20%	0.204	S	C	*	.	S	Bend	trans	93.2	-12.7	170.7	0	0	0	0	0	116	G372	G372-G374 PolarHBondContact O-N 2.8Å
375	E	70.1	Confident	81.6	Confident	99 Å²	99	33.8 Å²	33.8	46%	0.463	21%	0.205	S	C	.	.	S	Bend	trans	-98.9	148.9	173.9	-172.8	175.2	-163	0	0	111.2	M377 R379 R423	E375-M377 HydrophobicContact CB-CE 3.74Å; E375-M377 HydrophobicContact CG-CE 4.08Å; E375-M377 WeakPolarHBondContact O-CE 3.4Å; E375-M377 PolarHBondContact O-N 3.37Å; E375-R379 VanDerWaalsContact CG-NH2 3.34Å; E375-R379 IonicContact OE1-CZ 3.76Å; E375-R379 IonicContact OE1-NH1 3.79Å; E375-R379 IonicContact OE1-NH2 3.52Å; E375-R379 PolarHBondContact OE1-NH2 3.09Å; E375-R423 IonicContact OE1-NH2 2.71Å; E375-R423 IonicContact OE2-NH2 2.85Å
376	M	73.9	Confident	81.7	Confident	16 Å²	16	30.6 Å²	30.6	8%	0.079	19%	0.189	C	C	.	.			trans	-77.5	115.1	176.1	-171.7	172.3	77.6	0	0	111	R379 T431 V432 M465 I473	M376-R379 HydrophobicContact CE-CG 4.06Å; M376-R379 PolarHBondContact O-NE 2.8Å; M376-R379 PolarHBondContact O-NH2 3.07Å; M376-R379 VanDerWaalsContact O-NH2 3.08Å; M376-T431 HydrophobicContact CE-CG2 3.87Å; M376-V432 HydrophobicContact CE-CG2 3.47Å; M376-V432 VanDerWaalsContact CE-CG2 3.47Å; M376-M465 HydrophobicContact CB-CE 3.78Å; M376-M465 HydrophobicContact CE-CE 4.41Å; M376-M465 HydrophobicContact CG-CE 4.41Å; M376-M465 HydrophobicContact SD-CE 3.84Å; M376-I473 HydrophobicContact SD-CD1 4.49Å
377	M	79.8	Confident	81.7	Confident	38 Å²	38	30.5 Å²	30.5	19%	0.187	19%	0.189	C	C	.	.			trans	-78.5	-64.5	179.9	-59.7	-66.6	107.3	0	0	111.8	P370 G372 E375 R379 M422	P370-M377 HydrophobicContact CB-SD 4.27Å; P370-M377 WeakPolarHBondContact O-CG 3.5Å; G372-M377 PolarHBondContact N-SD 3.48Å; G372-M377 VanDerWaalsContact N-SD 3.41Å; E375-M377 HydrophobicContact CB-CE 3.74Å; E375-M377 HydrophobicContact CG-CE 4.08Å; E375-M377 WeakPolarHBondContact O-CE 3.4Å; E375-M377 PolarHBondContact O-N 3.37Å; M377-R379 PolarHBondContact O-N 3.45Å; M377-M422 VanDerWaalsContact O-SD 3.36Å
378	T	82.6	Confident	81.7	Confident	16 Å²	16	35 Å²	35	10%	0.098	21%	0.211	C	C	.	.			trans	-70.6	95.5	-178.4	-45.8	0	0	0	0	111.7	M422 D453 P455	T378-M422 HydrophobicContact CG2-CE 4.25Å; T378-D453 PolarHBondContact OG1-OD2 3.49Å; T378-P455 HydrophobicContact CG2-CG 4.42Å
379	R	85.7	Confident	81.5	Confident	41 Å²	41	35.8 Å²	35.8	16%	0.155	22%	0.218	C	C	.	.			trans	-99.9	-15.8	178.8	-63.9	178.6	-163	-162.6	0.8	114.6	E375 M376 M377 V426 V432 S433	E375-R379 VanDerWaalsContact CG-NH2 3.34Å; E375-R379 IonicContact OE1-CZ 3.76Å; E375-R379 IonicContact OE1-NH1 3.79Å; E375-R379 IonicContact OE1-NH2 3.52Å; E375-R379 PolarHBondContact OE1-NH2 3.09Å; M376-R379 HydrophobicContact CE-CG 4.06Å; M376-R379 PolarHBondContact O-NE 2.8Å; M376-R379 PolarHBondContact O-NH2 3.07Å; M376-R379 VanDerWaalsContact O-NH2 3.08Å; M377-R379 PolarHBondContact O-N 3.45Å; R379-V426 HydrophobicContact CB-CG2 4.09Å; R379-V432 CarbonylContact O-C 3.48Å; R379-V432 VanDerWaalsContact O-CA 3.24Å; R379-V432 WeakPolarHBondContact O-CA 3.26Å; R379-V432 WeakPolarHBondContact O-CG1 3.36Å; R379-S433 PolarHBondContact O-N 3.44Å
380	S	89.4	Confident	81.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-137.8	148.4	179.5	-53.8	0	0	0	0	109
381	P	91.1	Very high	81.4	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.279	C	S	.	.			trans	-57.1	143.3	172.4	-26.6	35.5	0	0	0	112.7	S433 T436 I437 V452 D453 L454 I476 Y480	P381-S433 WeakPolarHBondContact CD-O 3.42Å; P381-T436 HydrophobicContact CB-CG2 4.12Å; P381-T436 WeakPolarHBondContact O-CA 3.4Å; P381-I437 PolarHBondContact O-N 2.67Å; P381-V452 HydrophobicContact CB-CG1 4.45Å; P381-D453 VanDerWaalsContact CA-O 3.31Å; P381-D453 WeakPolarHBondContact CA-O 3.15Å; P381-L454 HydrophobicContact CB-CD2 3.84Å; P381-L454 HydrophobicContact CG-CD2 4.03Å; P381-I476 HydrophobicContact CG-CG2 3.87Å; P381-Y480 HydrophobicContact CB-CE2 4.4Å; P381-Y480 HydrophobicContact CG-CE2 4.15Å
382	V	90.9	Very high	82	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	111	176.9	-170.9	0	0	0	0	110.5	F369 V384 M422 I437 V452 D453	F369-V382 HydrophobicContact CE1-CB 4.22Å; F369-V382 HydrophobicContact CE1-CG1 4.27Å; F369-V382 HydrophobicContact CE1-CG2 4.14Å; V382-V384 HydrophobicContact CG1-CG2 3.84Å; V382-V384 PolarHBondContact O-N 3.32Å; V382-M422 HydrophobicContact CG2-CE 3.39Å; V382-I437 CarbonylContact C-O 3.54Å; V382-I437 WeakPolarHBondContact CA-O 3.39Å; V382-I437 HydrophobicContact CG1-CB 4.48Å; V382-I437 HydrophobicContact CG2-CB 4.42Å; V382-V452 CarbonylContact O-C 3.45Å; V382-V452 WeakPolarHBondContact O-CA 3.46Å; V382-D453 PolarHBondContact N-O 3.24Å; V382-D453 PolarHBondContact O-N 2.82Å
383	K	90.4	Very high	83.2	Confident	19 Å²	19	42.4 Å²	42.4	8%	0.083	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	109.9	170	175.8	-170.7	171.6	-168.6	0	107.7	D328 I437 L439 V450 L451	D328-K383 IonicContact OD1-NZ 3.22Å; D328-K383 PolarHBondContact OD1-NZ 3.39Å; K383-I437 PolarHBondContact N-O 3.25Å; K383-L439 PolarHBondContact O-N 3.3Å; K383-V450 HydrophobicContact CG-CG1 4.03Å; K383-L451 CarbonylContact C-O 3.49Å; K383-L451 WeakPolarHBondContact CA-O 3.31Å
384	V	90.4	Very high	84.7	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	108.4	175.5	-174.8	0	0	0	0	109.1	L360 F369 V382 L386 L439 V441 L451	L360-V384 HydrophobicContact CD2-CB 4.26Å; L360-V384 HydrophobicContact CD2-CG1 4.31Å; L360-V384 HydrophobicContact CD2-CG2 4.16Å; F369-V384 HydrophobicContact CZ-CG2 4.22Å; V382-V384 HydrophobicContact CG1-CG2 3.84Å; V382-V384 PolarHBondContact O-N 3.32Å; V384-L386 HydrophobicContact CG1-CD2 3.73Å; V384-L386 HydrophobicContact CG1-CG 4.46Å; V384-L439 CarbonylContact C-O 3.53Å; V384-L439 WeakPolarHBondContact CA-O 3.48Å; V384-V441 HydrophobicContact CG1-CG2 4.12Å; V384-L451 HydrophobicContact CB-CB 4.44Å; V384-L451 PolarHBondContact N-O 2.86Å; V384-L451 PolarHBondContact O-N 2.82Å
385	T	89.8	Confident	86.1	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.9	171.2	-46.5	0	0	0	0	108.8	I320 S324 L439 N440 V441 V450	I320-T385 HydrophobicContact CG1-CG2 3.95Å; S324-T385 VanDerWaalsContact OG-CG2 3.29Å; S324-T385 WeakPolarHBondContact OG-CG2 3.31Å; T385-L439 PolarHBondContact N-O 3.03Å; T385-N440 WeakPolarHBondContact CB-OD1 3.43Å; T385-N440 PolarHBondContact OG1-OD1 2.84Å; T385-V441 PolarHBondContact O-N 3.4Å; T385-V450 HydrophobicContact CG2-CG2 4.47Å
386	L	89.7	Confident	86.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	130.2	174.3	-60.4	-173.2	0	0	0	110.8	I363 A364 V384 V441 Q447 R448 M449 L451	I363-L386 HydrophobicContact CG2-CD1 3.71Å; A364-L386 HydrophobicContact CB-CD2 3.85Å; V384-L386 HydrophobicContact CG1-CD2 3.73Å; V384-L386 HydrophobicContact CG1-CG 4.46Å; L386-V441 HydrophobicContact CD2-CB 3.92Å; L386-V441 HydrophobicContact CD2-CG1 4.29Å; L386-Q447 WeakPolarHBondContact CB-O 3.39Å; L386-R448 WeakPolarHBondContact O-CA 3.32Å; L386-M449 HydrophobicContact CB-CG 4.34Å; L386-M449 HydrophobicContact CD1-CG 4.15Å; L386-M449 HydrophobicContact CG-CG 4.46Å; L386-M449 PolarHBondContact N-O 3.24Å; L386-M449 PolarHBondContact O-N 2.88Å; L386-L451 HydrophobicContact CD1-CD1 3.55Å; L386-L451 HydrophobicContact CG-CD1 4.04Å
387	S	86.7	Confident	87.1	Confident	3 Å²	3	33 Å²	33	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.8	177.5	61.9	0	0	0	0	112.2	V441 K442 G443	S387-V441 PolarHBondContact N-O 3.38Å; S387-V441 PolarHBondContact OG-O 2.71Å; S387-K442 CarbonylContact O-C 3.56Å; S387-K442 VanDerWaalsContact O-CA 3.32Å; S387-K442 WeakPolarHBondContact O-CA 3.48Å; S387-K442 WeakPolarHBondContact OG-CD 3.16Å; S387-K442 WeakPolarHBondContact OG-CE 3.18Å; S387-K442 VanDerWaalsContact OG-CG 3.22Å; S387-K442 WeakPolarHBondContact OG-CG 3.45Å; S387-G443 PolarHBondContact O-N 3.5Å
388	E	85.3	Confident	87.1	Confident	113 Å²	113	37.2 Å²	37.2	53%	0.528	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	137.1	173	-173.7	165.8	-148.5	0	0	110.3	G443	E388-G443 WeakPolarHBondContact CA-O 3.4Å
389	G	83.3	Confident	87.1	Confident	15 Å²	15	38.4 Å²	38.4	16%	0.155	20%	0.202	C	C	.	.			trans	-163	163.5	-179.8	0	0	0	0	0	113.5	H391 G443 P444	G389-H391 VanDerWaalsContact C-N 3.3Å; G389-H391 PolarHBondContact O-N 3.05Å; G389-G443 PolarHBondContact N-O 2.72Å; G389-G443 CarbonylContact O-C 3.09Å; G389-P444 VanDerWaalsContact O-CA 3.28Å; G389-P444 WeakPolarHBondContact O-CA 3.42Å
390	P	82.3	Confident	86.9	Confident	114 Å²	114	42.3 Å²	42.3	74%	0.74	24%	0.236	S	C	*	.	S	Bend	trans	-74.7	-17.4	-176.2	30.8	-36.4	0	0	0	114.1
391	H	86.5	Confident	86.8	Confident	135 Å²	135	48 Å²	48	63%	0.625	26%	0.257	S	S	*	.	S	Bend	trans	-129.1	145.5	-179.6	-56.7	-50.1	0	0	0	109.4	G389 V393 K442 G443	G389-H391 VanDerWaalsContact C-N 3.3Å; G389-H391 PolarHBondContact O-N 3.05Å; H391-V393 HydrophobicContact CB-CG1 4.18Å; H391-V393 PolarHBondContact O-N 2.98Å; H391-K442 CarbonylContact O-C 3.56Å; H391-G443 WeakPolarHBondContact O-CA 3.48Å
392	H	89.1	Confident	86.6	Confident	30 Å²	30	54.1 Å²	54.1	14%	0.139	29%	0.285	C	S	.	.			trans	-91.1	96.3	-179.6	-156	179.7	0	0	0	109.1	A364 Q365 L405 T406 K442	A364-H392 PolarHBondContact O-NE2 3.48Å; Q365-H392 PolarHBondContact O-CE1 3.32Å; H392-L405 HydrophobicContact CB-CB 4.33Å; H392-L405 VanDerWaalsContact CD2-CD1 3.46Å; H392-L405 WeakPolarHBondContact CD2-CD1 3.35Å; H392-L405 WeakPolarHBondContact O-CB 3.33Å; H392-L405 PolarHBondContact O-N 3.34Å; H392-T406 HydrophobicContact CB-CG2 4.2Å; H392-K442 CarbonylContact C-O 3.59Å; H392-K442 VanDerWaalsContact CA-O 3.24Å; H392-K442 WeakPolarHBondContact CA-O 3.25Å; H392-K442 PolarHBondContact CD2-O 2.92Å
393	V	91.1	Very high	86.5	Confident	26 Å²	26	54.3 Å²	54.3	16%	0.158	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.1	-171.4	-63.6	0	0	0	0	112	H391 F403 V441 K442	H391-V393 HydrophobicContact CB-CG1 4.18Å; H391-V393 PolarHBondContact O-N 2.98Å; V393-F403 CarbonylContact C-O 3.55Å; V393-F403 VanDerWaalsContact CA-O 3.26Å; V393-F403 WeakPolarHBondContact CA-O 3.38Å; V393-V441 WeakPolarHBondContact O-CA 3.32Å; V393-K442 HydrophobicContact CG2-CB 3.93Å; V393-K442 HydrophobicContact CG2-CG 4.33Å; V393-K442 PolarHBondContact N-O 3.33Å; V393-K442 PolarHBondContact O-N 3.26Å
394	A	89.6	Confident	86.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	144.8	173.2	0	0	0	0	0	111.7	E402 F403 L405 L414 L439 N440 V441	A394-E402 WeakPolarHBondContact O-CA 3.41Å; A394-F403 PolarHBondContact N-O 2.88Å; A394-F403 PolarHBondContact O-N 2.8Å; A394-L405 HydrophobicContact CB-CD1 4.2Å; A394-L405 HydrophobicContact CB-CD2 3.92Å; A394-L405 HydrophobicContact CB-CG 4.23Å; A394-L414 HydrophobicContact CB-CD1 4.34Å; A394-L414 HydrophobicContact CB-CD2 3.66Å; A394-L439 HydrophobicContact CB-CD1 4.31Å; A394-N440 CarbonylContact C-O 3.6Å; A394-N440 WeakPolarHBondContact CA-O 3.42Å; A394-V441 HydrophobicContact CB-CG2 4.16Å
395	L	89.6	Confident	86.2	Confident	53 Å²	53	55.8 Å²	55.8	28%	0.277	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	130.4	-177.5	-177.2	64.9	0	0	0	109.7	S399 R401 E402 N440	L395-S399 WeakPolarHBondContact CD1-O 3.25Å; L395-R401 VanDerWaalsContact CD1-O 3.3Å; L395-R401 WeakPolarHBondContact CD1-O 3.15Å; L395-E402 HydrophobicContact CD1-CG 4.02Å; L395-N440 PolarHBondContact N-O 3.45Å; L395-N440 PolarHBondContact O-N 2.97Å
396	F	88.5	Confident	85.9	Confident	1 Å²	1	60.6 Å²	60.6	0%	0.004	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	147.5	172	-64.6	-87.4	0	0	0	110.8	D398 S399 F403 L414 E417 I418 I437 L439	F396-D398 PolarHBondContact O-N 3.47Å; F396-S399 PolarHBondContact O-N 3.3Å; F396-F403 AromaticContact CD2-CE2 3.98Å; F396-F403 HydrophobicContact CD2-CE2 3.98Å; F396-F403 AromaticContact CE2-CE2 3.8Å; F396-F403 HydrophobicContact CE2-CE2 3.8Å; F396-F403 HydrophobicContact CE2-CZ 4.17Å; F396-L414 HydrophobicContact CE2-CD1 3.66Å; F396-L414 HydrophobicContact CZ-CD1 3.75Å; F396-E417 HydrophobicContact CD2-CG 4.42Å; F396-E417 HydrophobicContact CE2-CB 4.25Å; F396-E417 HydrophobicContact CE2-CG 3.48Å; F396-E417 VanDerWaalsContact CE2-CG 3.48Å; F396-E417 HydrophobicContact CZ-CB 4.24Å; F396-E417 HydrophobicContact CZ-CG 3.65Å; F396-I418 HydrophobicContact CE1-CG1 3.9Å; F396-I418 HydrophobicContact CZ-CG1 3.68Å; F396-I437 HydrophobicContact CD1-CG2 4.22Å; F396-I437 HydrophobicContact CE1-CG2 4.08Å; F396-L439 HydrophobicContact CD1-CD1 3.78Å; F396-L439 HydrophobicContact CD2-CD1 4.34Å; F396-L439 HydrophobicContact CE1-CD1 3.87Å; F396-L439 HydrophobicContact CE2-CD1 4.39Å; F396-L439 HydrophobicContact CG-CD1 4.06Å; F396-L439 HydrophobicContact CZ-CD1 4.19Å
397	K	78	Confident	85.8	Confident	85 Å²	85	65.2 Å²	65.2	37%	0.37	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-38	178.8	-171.4	178	177.9	-177.9	0	112.8	D328 S399 S438	D328-K397 VanDerWaalsContact CG-CE 3.49Å; D328-K397 IonicContact OD1-NZ 2.76Å; D328-K397 PolarHBondContact OD1-NZ 3.44Å; D328-K397 WeakPolarHBondContact OD2-CE 3.42Å; D328-K397 IonicContact OD2-NZ 2.66Å; D328-K397 PolarHBondContact OD2-NZ 2.94Å; K397-S399 PolarHBondContact O-N 2.93Å; K397-S438 PolarHBondContact N-O 3.15Å
398	D	79.7	Confident	85.7	Confident	128 Å²	128	70.6 Å²	70.6	68%	0.684	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	15.9	-172.5	-22.9	-68.2	0	0	0	113.4	F396 R421	F396-D398 PolarHBondContact O-N 3.47Å; D398-R421 IonicContact OD2-NH1 3.73Å
399	S	82.5	Confident	85.8	Confident	41 Å²	41	73.3 Å²	73.3	29%	0.287	38%	0.382	S	S	.	.			trans	-145.1	140.6	-175.6	-172.1	0	0	0	0	111.8	L395 F396 K397 R401	L395-S399 WeakPolarHBondContact CD1-O 3.25Å; F396-S399 PolarHBondContact O-N 3.3Å; K397-S399 PolarHBondContact O-N 2.93Å; S399-R401 VanDerWaalsContact C-N 3.33Å; S399-R401 PolarHBondContact OG-N 3.37Å
400	S	80.8	Confident	86	Confident	123 Å²	123	74.2 Å²	74.2	86%	0.86	38%	0.384	S	S	*	.			trans	-84.9	-1.3	170.5	52.6	0	0	0	0	114	E402	S400-E402 PolarHBondContact O-N 2.71Å
401	R	86.9	Confident	86.2	Confident	120 Å²	120	69.3 Å²	69.3	45%	0.453	35%	0.351	S	S	.	.			trans	-78.7	110.9	176.8	179.6	178.8	174.3	-174.5	-1.1	110.6	L395 S399 F403 D410	L395-R401 VanDerWaalsContact CD1-O 3.3Å; L395-R401 WeakPolarHBondContact CD1-O 3.15Å; S399-R401 VanDerWaalsContact C-N 3.33Å; S399-R401 PolarHBondContact OG-N 3.37Å; R401-F403 HydrophobicContact CB-CE2 4.32Å; R401-F403 HydrophobicContact CG-CD2 4.23Å; R401-F403 HydrophobicContact CG-CE2 3.88Å; R401-F403 HydrophobicContact CG-CZ 4.17Å; R401-F403 WeakPolarHBondContact O-CD2 3.33Å; R401-D410 IonicContact CZ-OD1 2.77Å; R401-D410 IonicContact NH2-OD1 3.23Å; R401-D410 PolarHBondContact NH2-OD1 3.43Å
402	E	87.4	Confident	86.2	Confident	127 Å²	127	65 Å²	65	59%	0.593	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	146.6	161.9	-63.1	-179.4	174.8	0	0	110.7	A394 L395 S400	A394-E402 WeakPolarHBondContact O-CA 3.41Å; L395-E402 HydrophobicContact CD1-CG 4.02Å; S400-E402 PolarHBondContact O-N 2.71Å
403	F	88.7	Confident	86.2	Confident	4 Å²	4	65 Å²	65	2%	0.018	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.7	174.3	-65.2	-104.8	0	0	0	108.7	V393 A394 F396 R401 L405 D410 A413 L414 E417	V393-F403 CarbonylContact C-O 3.55Å; V393-F403 VanDerWaalsContact CA-O 3.26Å; V393-F403 WeakPolarHBondContact CA-O 3.38Å; A394-F403 PolarHBondContact N-O 2.88Å; A394-F403 PolarHBondContact O-N 2.8Å; F396-F403 AromaticContact CD2-CE2 3.98Å; F396-F403 HydrophobicContact CD2-CE2 3.98Å; F396-F403 AromaticContact CE2-CE2 3.8Å; F396-F403 HydrophobicContact CE2-CE2 3.8Å; F396-F403 HydrophobicContact CE2-CZ 4.17Å; R401-F403 HydrophobicContact CB-CE2 4.32Å; R401-F403 HydrophobicContact CG-CD2 4.23Å; R401-F403 HydrophobicContact CG-CE2 3.88Å; R401-F403 HydrophobicContact CG-CZ 4.17Å; R401-F403 WeakPolarHBondContact O-CD2 3.33Å; F403-L405 PolarHBondContact O-N 2.81Å; F403-D410 HydrophobicContact CB-CB 4.43Å; F403-A413 HydrophobicContact CD1-CB 4.4Å; F403-A413 HydrophobicContact CE1-CB 4.11Å; F403-L414 HydrophobicContact CB-CB 4.44Å; F403-L414 HydrophobicContact CD1-CB 3.89Å; F403-L414 HydrophobicContact CD1-CD1 4.49Å; F403-L414 HydrophobicContact CD2-CD1 4.16Å; F403-L414 HydrophobicContact CE1-CB 4.32Å; F403-L414 HydrophobicContact CE2-CD1 4.41Å; F403-L414 HydrophobicContact CG-CB 4.22Å; F403-L414 HydrophobicContact CG-CD1 4.2Å; F403-E417 HydrophobicContact CZ-CB 4.49Å; F403-E417 HydrophobicContact CZ-CG 4.36Å
404	D	88.9	Confident	86.2	Confident	38 Å²	38	63.8 Å²	63.8	20%	0.203	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	114.2	178.5	-173	-20.2	0	0	0	110.8	T406 K407 D410	D404-T406 PolarHBondContact O-N 3.5Å; D404-T406 WeakPolarHBondContact OD1-CB 3.32Å; D404-T406 PolarHBondContact OD1-N 3.48Å; D404-T406 PolarHBondContact OD1-OG1 3.39Å; D404-T406 PolarHBondContact OD2-OG1 3.34Å; D404-K407 HydrophobicContact CB-CD 4.41Å; D404-K407 HydrophobicContact CB-CG 4.17Å; D404-K407 PolarHBondContact O-N 2.95Å; D404-K407 IonicContact OD2-NZ 2.8Å; D404-K407 PolarHBondContact OD2-NZ 3.25Å; D404-D410 WeakPolarHBondContact O-CB 3.15Å
405	L	86.1	Confident	86.2	Confident	12 Å²	12	66.3 Å²	66.3	6%	0.063	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-11.4	-176.1	-60.8	173.9	0	0	0	113	A366 I368 H392 A394 F403 K407 L411 L414 V441	A366-L405 HydrophobicContact CB-CB 4.29Å; A366-L405 HydrophobicContact CB-CD1 4.02Å; A366-L405 HydrophobicContact CB-CD2 4.39Å; A366-L405 HydrophobicContact CB-CG 4.48Å; I368-L405 HydrophobicContact CG2-CD2 3.8Å; H392-L405 HydrophobicContact CB-CB 4.33Å; H392-L405 VanDerWaalsContact CD2-CD1 3.46Å; H392-L405 WeakPolarHBondContact CD2-CD1 3.35Å; H392-L405 WeakPolarHBondContact O-CB 3.33Å; H392-L405 PolarHBondContact O-N 3.34Å; A394-L405 HydrophobicContact CB-CD1 4.2Å; A394-L405 HydrophobicContact CB-CD2 3.92Å; A394-L405 HydrophobicContact CB-CG 4.23Å; F403-L405 PolarHBondContact O-N 2.81Å; L405-K407 VanDerWaalsContact C-N 3.34Å; L405-L411 HydrophobicContact CD2-CD1 3.47Å; L405-L411 VanDerWaalsContact CD2-CD1 3.47Å; L405-L414 HydrophobicContact CD2-CD2 3.57Å; L405-V441 HydrophobicContact CD1-CG1 3.69Å
406	T	83.6	Confident	86.2	Confident	105 Å²	105	68.9 Å²	68.9	64%	0.644	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-14.3	173.4	72.1	0	0	0	0	112.9	H392 D404	H392-T406 HydrophobicContact CB-CG2 4.2Å; D404-T406 PolarHBondContact O-N 3.5Å; D404-T406 WeakPolarHBondContact OD1-CB 3.32Å; D404-T406 PolarHBondContact OD1-N 3.48Å; D404-T406 PolarHBondContact OD1-OG1 3.39Å; D404-T406 PolarHBondContact OD2-OG1 3.34Å
407	K	86.7	Confident	86.2	Confident	96 Å²	96	71.7 Å²	71.7	42%	0.417	37%	0.37	S	S	.	.	S	Bend	trans	-103.4	120.5	178.3	-57.3	-168.2	-167.6	83.4	0	110.6	D404 L405 E409 D410 L411	D404-K407 HydrophobicContact CB-CD 4.41Å; D404-K407 HydrophobicContact CB-CG 4.17Å; D404-K407 PolarHBondContact O-N 2.95Å; D404-K407 IonicContact OD2-NZ 2.8Å; D404-K407 PolarHBondContact OD2-NZ 3.25Å; L405-K407 VanDerWaalsContact C-N 3.34Å; K407-E409 PolarHBondContact O-N 2.82Å; K407-E409 VanDerWaalsContact O-N 3.15Å; K407-D410 HydrophobicContact CB-CB 4.41Å; K407-D410 PolarHBondContact O-N 3.3Å; K407-L411 VanDerWaalsContact O-CB 3.31Å; K407-L411 WeakPolarHBondContact O-CB 3.29Å; K407-L411 PolarHBondContact O-N 2.98Å
408	E	85.1	Confident	86.8	Confident	116 Å²	116	67.6 Å²	67.6	54%	0.542	35%	0.352	S	S	.	.	H	α-helix	trans	-61.7	-25.7	178.4	-170.5	58.5	-146.5	0	0	112.7	A412 R415	E408-A412 WeakPolarHBondContact O-CB 3.49Å; E408-A412 PolarHBondContact O-N 3.38Å; E408-R415 IonicContact OE1-CZ 3.72Å; E408-R415 IonicContact OE1-NH1 3.63Å; E408-R415 PolarHBondContact OE1-NH1 2.72Å; E408-R415 IonicContact OE1-NH2 3.52Å; E408-R415 PolarHBondContact OE1-NH2 2.97Å; E408-R415 IonicContact OE2-NH2 3.36Å; E408-R415 PolarHBondContact OE2-NH2 2.65Å
409	E	87.6	Confident	87.2	Confident	170 Å²	170	64 Å²	64	79%	0.794	33%	0.331	S	S	*	.	H	α-helix	trans	-66.1	-51.4	174.6	-64.2	-178.8	177.4	0	0	112.8	K407 L411 A412 A413	K407-E409 PolarHBondContact O-N 2.82Å; K407-E409 VanDerWaalsContact O-N 3.15Å; E409-L411 VanDerWaalsContact C-N 3.34Å; E409-A412 PolarHBondContact O-N 3.45Å; E409-A413 WeakPolarHBondContact O-CB 3.37Å; E409-A413 PolarHBondContact O-N 3.34Å
410	D	87.4	Confident	87.6	Confident	35 Å²	35	65.9 Å²	65.9	19%	0.187	34%	0.338	C	S	.	.	H	α-helix	trans	-69.1	-34.4	175.5	-88.7	-47.2	0	0	0	111.2	R401 F403 D404 K407 A413 L414	R401-D410 IonicContact CZ-OD1 2.77Å; R401-D410 IonicContact NH2-OD1 3.23Å; R401-D410 PolarHBondContact NH2-OD1 3.43Å; F403-D410 HydrophobicContact CB-CB 4.43Å; D404-D410 WeakPolarHBondContact O-CB 3.15Å; K407-D410 HydrophobicContact CB-CB 4.41Å; K407-D410 PolarHBondContact O-N 3.3Å; D410-A413 PolarHBondContact O-N 2.98Å; D410-L414 WeakPolarHBondContact O-CB 3.45Å; D410-L414 PolarHBondContact O-N 3.4Å
411	L	85.9	Confident	88	Confident	11 Å²	11	62 Å²	62	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-40.3	175.6	-167	63	0	0	0	111.8	R367 I368 L405 K407 E409 L414 R415	R367-L411 HydrophobicContact CB-CD2 4.22Å; I368-L411 HydrophobicContact CG2-CD1 4.19Å; L405-L411 HydrophobicContact CD2-CD1 3.47Å; L405-L411 VanDerWaalsContact CD2-CD1 3.47Å; K407-L411 VanDerWaalsContact O-CB 3.31Å; K407-L411 WeakPolarHBondContact O-CB 3.29Å; K407-L411 PolarHBondContact O-N 2.98Å; E409-L411 VanDerWaalsContact C-N 3.34Å; L411-L414 PolarHBondContact O-N 3.48Å; L411-R415 VanDerWaalsContact CD2-NH2 3.27Å; L411-R415 WeakPolarHBondContact O-CG 3.49Å; L411-R415 PolarHBondContact O-N 2.89Å
412	A	87.5	Confident	88.1	Confident	44 Å²	44	56.4 Å²	56.4	36%	0.364	28%	0.283	S	S	.	.	H	α-helix	trans	-67.2	-40.6	172.2	0	0	0	0	0	112	E408 E409 L414 R415 H416	E408-A412 WeakPolarHBondContact O-CB 3.49Å; E408-A412 PolarHBondContact O-N 3.38Å; E409-A412 PolarHBondContact O-N 3.45Å; A412-L414 VanDerWaalsContact C-N 3.34Å; A412-L414 PolarHBondContact O-N 3.47Å; A412-R415 PolarHBondContact O-N 3.16Å; A412-H416 PolarHBondContact O-N 2.94Å; A412-H416 VanDerWaalsContact O-N 3.09Å
413	A	89.4	Confident	88	Confident	31 Å²	31	55.4 Å²	55.4	26%	0.256	27%	0.274	S	S	.	.	H	α-helix	trans	-61.6	-40.9	173.7	0	0	0	0	0	111.9	F403 E409 D410 H416 E417	F403-A413 HydrophobicContact CD1-CB 4.4Å; F403-A413 HydrophobicContact CE1-CB 4.11Å; E409-A413 WeakPolarHBondContact O-CB 3.37Å; E409-A413 PolarHBondContact O-N 3.34Å; D410-A413 PolarHBondContact O-N 2.98Å; A413-H416 PolarHBondContact O-N 2.89Å; A413-E417 WeakPolarHBondContact O-CB 3.47Å; A413-E417 PolarHBondContact O-N 3.08Å
414	L	90.7	Very high	88	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.5	-46.4	175.8	178.4	65.2	0	0	0	111.8	I368 A394 F396 F403 L405 D410 L411 A412 H416 E417 I418 L439	I368-L414 HydrophobicContact CB-CD2 4.07Å; I368-L414 HydrophobicContact CG2-CD2 3.91Å; A394-L414 HydrophobicContact CB-CD1 4.34Å; A394-L414 HydrophobicContact CB-CD2 3.66Å; F396-L414 HydrophobicContact CE2-CD1 3.66Å; F396-L414 HydrophobicContact CZ-CD1 3.75Å; F403-L414 HydrophobicContact CB-CB 4.44Å; F403-L414 HydrophobicContact CD1-CB 3.89Å; F403-L414 HydrophobicContact CD1-CD1 4.49Å; F403-L414 HydrophobicContact CD2-CD1 4.16Å; F403-L414 HydrophobicContact CE1-CB 4.32Å; F403-L414 HydrophobicContact CE2-CD1 4.41Å; F403-L414 HydrophobicContact CG-CB 4.22Å; F403-L414 HydrophobicContact CG-CD1 4.2Å; L405-L414 HydrophobicContact CD2-CD2 3.57Å; D410-L414 WeakPolarHBondContact O-CB 3.45Å; D410-L414 PolarHBondContact O-N 3.4Å; L411-L414 PolarHBondContact O-N 3.48Å; A412-L414 VanDerWaalsContact C-N 3.34Å; A412-L414 PolarHBondContact O-N 3.47Å; L414-H416 VanDerWaalsContact C-N 3.3Å; L414-H416 PolarHBondContact O-N 3.5Å; L414-E417 PolarHBondContact O-N 3.04Å; L414-I418 HydrophobicContact CD1-CD1 4.09Å; L414-I418 HydrophobicContact CD1-CG1 4.36Å; L414-I418 HydrophobicContact CG-CD1 4.01Å; L414-I418 WeakPolarHBondContact O-CG1 3.49Å; L414-I418 PolarHBondContact O-N 2.95Å; L414-L439 HydrophobicContact CD1-CD1 4.19Å
415	R	89.1	Confident	88	Confident	52 Å²	52	63.5 Å²	63.5	20%	0.196	31%	0.309	C	S	.	.	H	α-helix	trans	-57.7	-44.3	175.9	-68.5	174.6	-154.2	133.1	0.6	111.5	R367 I368 E408 L411 A412 I418 E419	R367-R415 PolarHBondContact O-NE 3.49Å; R367-R415 PolarHBondContact O-NH2 2.97Å; I368-R415 WeakPolarHBondContact O-CG 3.34Å; E408-R415 IonicContact OE1-CZ 3.72Å; E408-R415 IonicContact OE1-NH1 3.63Å; E408-R415 PolarHBondContact OE1-NH1 2.72Å; E408-R415 IonicContact OE1-NH2 3.52Å; E408-R415 PolarHBondContact OE1-NH2 2.97Å; E408-R415 IonicContact OE2-NH2 3.36Å; E408-R415 PolarHBondContact OE2-NH2 2.65Å; L411-R415 VanDerWaalsContact CD2-NH2 3.27Å; L411-R415 WeakPolarHBondContact O-CG 3.49Å; L411-R415 PolarHBondContact O-N 2.89Å; A412-R415 PolarHBondContact O-N 3.16Å; R415-I418 PolarHBondContact O-N 2.87Å; R415-E419 PolarHBondContact O-N 2.96Å
416	H	89.1	Confident	88	Confident	108 Å²	108	64.4 Å²	64.4	50%	0.5	32%	0.315	S	S	.	.	H	α-helix	trans	-67	-42.7	179.4	-172.4	31.1	0	0	0	111.9	A412 A413 L414 I418 E419 L420	A412-H416 PolarHBondContact O-N 2.94Å; A412-H416 VanDerWaalsContact O-N 3.09Å; A413-H416 PolarHBondContact O-N 2.89Å; L414-H416 VanDerWaalsContact C-N 3.3Å; L414-H416 PolarHBondContact O-N 3.5Å; H416-I418 PolarHBondContact O-N 2.68Å; H416-E419 WeakPolarHBondContact O-CB 3.46Å; H416-E419 PolarHBondContact O-N 3.13Å; H416-L420 WeakPolarHBondContact O-CG 3.32Å; H416-L420 PolarHBondContact O-N 3.23Å
417	E	89.9	Confident	88	Confident	59 Å²	59	65.4 Å²	65.4	28%	0.276	31%	0.31	S	S	.	.	H	α-helix	trans	-62.6	-40.5	175.8	-178.3	63.1	-164.6	0	0	112.1	F396 F403 A413 L414 L420 R421	F396-E417 HydrophobicContact CD2-CG 4.42Å; F396-E417 HydrophobicContact CE2-CB 4.25Å; F396-E417 HydrophobicContact CE2-CG 3.48Å; F396-E417 VanDerWaalsContact CE2-CG 3.48Å; F396-E417 HydrophobicContact CZ-CB 4.24Å; F396-E417 HydrophobicContact CZ-CG 3.65Å; F403-E417 HydrophobicContact CZ-CB 4.49Å; F403-E417 HydrophobicContact CZ-CG 4.36Å; A413-E417 WeakPolarHBondContact O-CB 3.47Å; A413-E417 PolarHBondContact O-N 3.08Å; L414-E417 PolarHBondContact O-N 3.04Å; E417-L420 PolarHBondContact O-N 2.84Å; E417-R421 VanDerWaalsContact O-CG 3.32Å; E417-R421 WeakPolarHBondContact O-CG 3.3Å; E417-R421 PolarHBondContact O-N 3.22Å; E417-R421 IonicContact OE1-CZ 3.1Å; E417-R421 IonicContact OE1-NE 3.13Å; E417-R421 PolarHBondContact OE1-NE 3.02Å; E417-R421 IonicContact OE1-NH2 2.68Å; E417-R421 PolarHBondContact OE1-NH2 3.24Å
418	I	89.6	Confident	87.6	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.6	-45.2	172.5	-71.1	170.6	0	0	0	110.5	I368 F396 L414 R415 H416 R421 M422 L439	I368-I418 WeakPolarHBondContact O-CD1 3.43Å; F396-I418 HydrophobicContact CE1-CG1 3.9Å; F396-I418 HydrophobicContact CZ-CG1 3.68Å; L414-I418 HydrophobicContact CD1-CD1 4.09Å; L414-I418 HydrophobicContact CD1-CG1 4.36Å; L414-I418 HydrophobicContact CG-CD1 4.01Å; L414-I418 WeakPolarHBondContact O-CG1 3.49Å; L414-I418 PolarHBondContact O-N 2.95Å; R415-I418 PolarHBondContact O-N 2.87Å; H416-I418 PolarHBondContact O-N 2.68Å; I418-R421 PolarHBondContact O-N 2.9Å; I418-M422 HydrophobicContact CG2-CE 3.84Å; I418-M422 HydrophobicContact CG2-CG 4.46Å; I418-M422 HydrophobicContact CG2-SD 4.3Å; I418-M422 WeakPolarHBondContact O-CB 3.33Å; I418-M422 WeakPolarHBondContact O-CG 3.34Å; I418-M422 PolarHBondContact O-N 3.49Å; I418-L439 HydrophobicContact CD1-CD2 4.19Å
419	E	89	Confident	87.3	Confident	51 Å²	51	68.4 Å²	68.4	24%	0.238	35%	0.345	C	S	.	.	H	α-helix	trans	-63.7	-42.8	178.5	-159.4	-162	150.4	0	0	112.2	P370 R415 H416 R421 M422 R423	P370-E419 HydrophobicContact CB-CB 4.16Å; P370-E419 HydrophobicContact CB-CG 4.3Å; P370-E419 HydrophobicContact CG-CB 4.08Å; P370-E419 HydrophobicContact CG-CG 4.3Å; R415-E419 PolarHBondContact O-N 2.96Å; H416-E419 WeakPolarHBondContact O-CB 3.46Å; H416-E419 PolarHBondContact O-N 3.13Å; E419-R421 PolarHBondContact O-N 2.82Å; E419-M422 PolarHBondContact O-N 3.48Å; E419-R423 WeakPolarHBondContact O-CB 3.39Å; E419-R423 WeakPolarHBondContact O-CG 3.42Å; E419-R423 PolarHBondContact O-N 2.99Å; E419-R423 IonicContact OE1-CZ 2.67Å; E419-R423 IonicContact OE1-NE 3.77Å; E419-R423 PolarHBondContact OE1-NE 2.86Å; E419-R423 IonicContact OE1-NH2 3.78Å; E419-R423 PolarHBondContact OE1-NH2 3.41Å
420	L	89.4	Confident	87.1	Confident	82 Å²	82	62.9 Å²	62.9	43%	0.429	32%	0.324	S	S	.	.	H	α-helix	trans	-60.9	-43.4	175.8	-73.3	170.8	0	0	0	111.4	H416 E417 R423 K424	H416-L420 WeakPolarHBondContact O-CG 3.32Å; H416-L420 PolarHBondContact O-N 3.23Å; E417-L420 PolarHBondContact O-N 2.84Å; L420-R423 PolarHBondContact O-N 3.26Å; L420-K424 VanDerWaalsContact O-CB 3.29Å; L420-K424 WeakPolarHBondContact O-CB 3.33Å; L420-K424 PolarHBondContact O-N 2.87Å
421	R	89.8	Confident	86.9	Confident	42 Å²	42	62.1 Å²	62.1	16%	0.158	32%	0.321	C	S	.	.	H	α-helix	trans	-65.6	-42.8	174.9	-70.1	174.9	-170.8	-133	2.5	112.1	D398 E417 I418 E419 R423 K424 N425 I437	D398-R421 IonicContact OD2-NH1 3.73Å; E417-R421 VanDerWaalsContact O-CG 3.32Å; E417-R421 WeakPolarHBondContact O-CG 3.3Å; E417-R421 PolarHBondContact O-N 3.22Å; E417-R421 IonicContact OE1-CZ 3.1Å; E417-R421 IonicContact OE1-NE 3.13Å; E417-R421 PolarHBondContact OE1-NE 3.02Å; E417-R421 IonicContact OE1-NH2 2.68Å; E417-R421 PolarHBondContact OE1-NH2 3.24Å; I418-R421 PolarHBondContact O-N 2.9Å; E419-R421 PolarHBondContact O-N 2.82Å; R421-R423 VanDerWaalsContact C-N 3.32Å; R421-R423 PolarHBondContact O-N 2.8Å; R421-K424 PolarHBondContact O-N 2.84Å; R421-N425 PolarHBondContact O-N 3.41Å; R421-N425 PolarHBondContact O-OD1 2.76Å; R421-I437 HydrophobicContact CB-CD1 3.78Å; R421-I437 HydrophobicContact CB-CG1 4.35Å
422	M	88.8	Confident	86.9	Confident	2 Å²	2	62 Å²	62	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-60.5	-39.6	174.3	-76.2	-174.5	178.5	0	0	112.4	M377 T378 V382 I418 E419 V426 I437	M377-M422 VanDerWaalsContact O-SD 3.36Å; T378-M422 HydrophobicContact CG2-CE 4.25Å; V382-M422 HydrophobicContact CG2-CE 3.39Å; I418-M422 HydrophobicContact CG2-CE 3.84Å; I418-M422 HydrophobicContact CG2-CG 4.46Å; I418-M422 HydrophobicContact CG2-SD 4.3Å; I418-M422 WeakPolarHBondContact O-CB 3.33Å; I418-M422 WeakPolarHBondContact O-CG 3.34Å; I418-M422 PolarHBondContact O-N 3.49Å; E419-M422 PolarHBondContact O-N 3.48Å; M422-V426 WeakPolarHBondContact O-CG2 3.45Å; M422-I437 HydrophobicContact CB-CD1 4.36Å; M422-I437 HydrophobicContact CG-CD1 3.56Å
423	R	86.6	Confident	87	Confident	106 Å²	106	60 Å²	60	40%	0.4	30%	0.304	S	S	.	.	H	α-helix	trans	-70	-38.8	175	-70.9	177.5	-175.9	-95	-1	111.7	E375 E419 L420 R421 V426	E375-R423 IonicContact OE1-NH2 2.71Å; E375-R423 IonicContact OE2-NH2 2.85Å; E419-R423 WeakPolarHBondContact O-CB 3.39Å; E419-R423 WeakPolarHBondContact O-CG 3.42Å; E419-R423 PolarHBondContact O-N 2.99Å; E419-R423 IonicContact OE1-CZ 2.67Å; E419-R423 IonicContact OE1-NE 3.77Å; E419-R423 PolarHBondContact OE1-NE 2.86Å; E419-R423 IonicContact OE1-NH2 3.78Å; E419-R423 PolarHBondContact OE1-NH2 3.41Å; L420-R423 PolarHBondContact O-N 3.26Å; R421-R423 VanDerWaalsContact C-N 3.32Å; R421-R423 PolarHBondContact O-N 2.8Å; R423-V426 PolarHBondContact O-N 2.9Å
424	K	88.7	Confident	86.8	Confident	178 Å²	178	62.1 Å²	62.1	77%	0.774	32%	0.315	S	S	*	.	H	α-helix	trans	-65.9	-38.2	179.8	-175.5	-175	175.7	-171	0	113.6	L420 R421 V426	L420-K424 VanDerWaalsContact O-CB 3.29Å; L420-K424 WeakPolarHBondContact O-CB 3.33Å; L420-K424 PolarHBondContact O-N 2.87Å; R421-K424 PolarHBondContact O-N 2.84Å; K424-V426 VanDerWaalsContact C-N 3.26Å; K424-V426 PolarHBondContact O-N 3.32Å
425	N	87.7	Confident	86.7	Confident	33 Å²	33	65.9 Å²	65.9	18%	0.176	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-11.1	-178.8	-70	18.9	0	0	0	113.4	R421 S433 E435	R421-N425 PolarHBondContact O-N 3.41Å; R421-N425 PolarHBondContact O-OD1 2.76Å; N425-S433 WeakPolarHBondContact O-CB 3.4Å; N425-S433 PolarHBondContact O-OG 2.82Å; N425-E435 HydrophobicContact CB-CB 4.24Å; N425-E435 PolarHBondContact ND2-O 2.92Å
426	V	86.8	Confident	86.6	Confident	31 Å²	31	66.6 Å²	66.6	19%	0.188	34%	0.343	C	S	.	.	S	Bend	trans	-87.1	119.9	179.6	173.9	0	0	0	0	110.1	R379 M422 R423 K424 C430	R379-V426 HydrophobicContact CB-CG2 4.09Å; M422-V426 WeakPolarHBondContact O-CG2 3.45Å; R423-V426 PolarHBondContact O-N 2.9Å; K424-V426 VanDerWaalsContact C-N 3.26Å; K424-V426 PolarHBondContact O-N 3.32Å; V426-C430 HydrophobicContact CG1-CB 4.08Å; V426-C430 VanDerWaalsContact CG1-O 3.31Å; V426-C430 WeakPolarHBondContact CG1-O 3.4Å
427	K	83.9	Confident	86.6	Confident	126 Å²	126	61.9 Å²	61.9	55%	0.548	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-68.7	152.1	178.9	-63	173.6	-174.6	170.9	0	111	G429 C430 E435	K427-G429 PolarHBondContact O-N 3.31Å; K427-C430 WeakPolarHBondContact O-CB 3.13Å; K427-C430 PolarHBondContact O-N 3.37Å; K427-E435 VanDerWaalsContact CE-OE1 3.26Å; K427-E435 WeakPolarHBondContact CE-OE1 3.26Å; K427-E435 IonicContact NZ-OE1 3.72Å; K427-E435 PolarHBondContact NZ-OE1 2.91Å
428	E	78.6	Confident	86.6	Confident	203 Å²	203	60 Å²	60	95%	0.949	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	131.6	179.9	-65.2	-170.7	162.9	0	0	111.8	C430	E428-C430 PolarHBondContact O-N 3.4Å
429	G	77.7	Confident	86.6	Confident	72 Å²	72	60 Å²	60	74%	0.742	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-15.6	-176.8	0	0	0	0	0	115.5	K427 A466	K427-G429 PolarHBondContact O-N 3.31Å; G429-A466 WeakPolarHBondContact O-CB 3.39Å
430	C	82.8	Confident	86.7	Confident	54 Å²	54	59.2 Å²	59.2	37%	0.365	31%	0.312	S	S	.	.			trans	-84.2	167.8	172.8	-60.3	0	0	0	0	111.5	V426 K427 E428	V426-C430 HydrophobicContact CG1-CB 4.08Å; V426-C430 VanDerWaalsContact CG1-O 3.31Å; V426-C430 WeakPolarHBondContact CG1-O 3.4Å; K427-C430 WeakPolarHBondContact O-CB 3.13Å; K427-C430 PolarHBondContact O-N 3.37Å; E428-C430 PolarHBondContact O-N 3.4Å
431	T	83.1	Confident	86.7	Confident	19 Å²	19	55.3 Å²	55.3	12%	0.117	29%	0.292	C	S	.	.	S	Bend	trans	-122.3	-17.7	173.6	-54.5	0	0	0	0	113.3	M376 M465 A466 T469	M376-T431 HydrophobicContact CE-CG2 3.87Å; T431-M465 HydrophobicContact CG2-CB 4.28Å; T431-M465 HydrophobicContact CG2-CG 4.12Å; T431-A466 WeakPolarHBondContact OG1-CB 3.32Å; T431-A466 PolarHBondContact OG1-N 3.39Å; T431-T469 WeakPolarHBondContact CB-OG1 3.32Å; T431-T469 HydrophobicContact CG2-CG2 4.48Å
432	V	87.4	Confident	86.7	Confident	8 Å²	8	56.5 Å²	56.5	5%	0.048	30%	0.298	C	S	.	.			trans	-132.2	149.1	-180	168	0	0	0	0	108.8	M376 R379 P455 T469 T472 I473 I476	M376-V432 HydrophobicContact CE-CG2 3.47Å; M376-V432 VanDerWaalsContact CE-CG2 3.47Å; R379-V432 CarbonylContact O-C 3.48Å; R379-V432 VanDerWaalsContact O-CA 3.24Å; R379-V432 WeakPolarHBondContact O-CA 3.26Å; R379-V432 WeakPolarHBondContact O-CG1 3.36Å; V432-P455 HydrophobicContact CG1-CG 4.14Å; V432-T469 HydrophobicContact CG2-CG2 3.88Å; V432-T472 HydrophobicContact CB-CG2 4.32Å; V432-T472 HydrophobicContact CG1-CG2 4.18Å; V432-I473 HydrophobicContact CB-CG1 4.47Å; V432-I473 HydrophobicContact CG1-CG1 4.19Å; V432-I473 HydrophobicContact CG2-CD1 4.09Å; V432-I473 HydrophobicContact CG2-CG1 3.88Å; V432-I476 HydrophobicContact CG1-CD1 3.64Å
433	S	88.8	Confident	86.6	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.021	30%	0.298	C	S	.	.			trans	-123.3	143.4	174.3	-169.2	0	0	0	0	111.2	R379 P381 N425 E435	R379-S433 PolarHBondContact O-N 3.44Å; P381-S433 WeakPolarHBondContact CD-O 3.42Å; N425-S433 WeakPolarHBondContact O-CB 3.4Å; N425-S433 PolarHBondContact O-OG 2.82Å; S433-E435 PolarHBondContact OG-N 3.33Å
434	P	86.1	Confident	86.6	Confident	75 Å²	75	54.9 Å²	54.9	49%	0.487	30%	0.301	S	S	.	.			trans	-76	-10.3	169.6	32.8	-36.2	0	0	0	113.2	T436 I476	P434-T436 PolarHBondContact O-N 3.48Å; P434-I476 HydrophobicContact CB-CD1 4.1Å; P434-I476 HydrophobicContact CB-CG1 4.1Å
435	E	87.5	Confident	86.3	Confident	80 Å²	80	48.4 Å²	48.4	37%	0.374	29%	0.285	S	S	.	.			trans	-73.2	115	-173	-66.8	166.8	-162.8	0	0	112	N425 K427 S433	N425-E435 HydrophobicContact CB-CB 4.24Å; N425-E435 PolarHBondContact ND2-O 2.92Å; K427-E435 VanDerWaalsContact CE-OE1 3.26Å; K427-E435 WeakPolarHBondContact CE-OE1 3.26Å; K427-E435 IonicContact NZ-OE1 3.72Å; K427-E435 PolarHBondContact NZ-OE1 2.91Å; S433-E435 PolarHBondContact OG-N 3.33Å
436	T	87.6	Confident	86.2	Confident	66 Å²	66	47 Å²	47	41%	0.405	28%	0.278	S	S	.	.			trans	-72.8	133.9	-174.7	55.9	0	0	0	0	113.5	P381 P434 Y480	P381-T436 HydrophobicContact CB-CG2 4.12Å; P381-T436 WeakPolarHBondContact O-CA 3.4Å; P434-T436 PolarHBondContact O-N 3.48Å; T436-Y480 WeakPolarHBondContact CG2-OH 3.41Å
437	I	89.9	Confident	86.2	Confident	10 Å²	10	48.7 Å²	48.7	5%	0.051	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.9	164.6	-59.1	168.9	0	0	0	108.4	P381 V382 K383 F396 R421 M422	P381-I437 PolarHBondContact O-N 2.67Å; V382-I437 CarbonylContact C-O 3.54Å; V382-I437 WeakPolarHBondContact CA-O 3.39Å; V382-I437 HydrophobicContact CG1-CB 4.48Å; V382-I437 HydrophobicContact CG2-CB 4.42Å; K383-I437 PolarHBondContact N-O 3.25Å; F396-I437 HydrophobicContact CD1-CG2 4.22Å; F396-I437 HydrophobicContact CE1-CG2 4.08Å; R421-I437 HydrophobicContact CB-CD1 3.78Å; R421-I437 HydrophobicContact CB-CG1 4.35Å; M422-I437 HydrophobicContact CB-CD1 4.36Å; M422-I437 HydrophobicContact CG-CD1 3.56Å
438	S	89.2	Confident	86.4	Confident	18 Å²	18	45.2 Å²	45.2	13%	0.126	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.3	178	-67	0	0	0	0	112	K397	K397-S438 PolarHBondContact N-O 3.15Å
439	L	90.1	Very high	86.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129.4	-178.7	-173.9	72.7	0	0	0	110	I368 K383 V384 T385 A394 F396 L414 I418 V441	I368-L439 HydrophobicContact CD1-CD2 3.99Å; K383-L439 PolarHBondContact O-N 3.3Å; V384-L439 CarbonylContact C-O 3.53Å; V384-L439 WeakPolarHBondContact CA-O 3.48Å; T385-L439 PolarHBondContact N-O 3.03Å; A394-L439 HydrophobicContact CB-CD1 4.31Å; F396-L439 HydrophobicContact CD1-CD1 3.78Å; F396-L439 HydrophobicContact CD2-CD1 4.34Å; F396-L439 HydrophobicContact CE1-CD1 3.87Å; F396-L439 HydrophobicContact CE2-CD1 4.39Å; F396-L439 HydrophobicContact CG-CD1 4.06Å; F396-L439 HydrophobicContact CZ-CD1 4.19Å; L414-L439 HydrophobicContact CD1-CD1 4.19Å; I418-L439 HydrophobicContact CD1-CD2 4.19Å; L439-V441 HydrophobicContact CD2-CG2 4.06Å; L439-V441 HydrophobicContact CG-CG2 4.21Å
440	N	89.5	Confident	87.4	Confident	36 Å²	36	32.1 Å²	32.1	19%	0.193	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.2	171.9	-64.1	-27.2	0	0	0	108.8	T385 A394 L395	T385-N440 WeakPolarHBondContact CB-OD1 3.43Å; T385-N440 PolarHBondContact OG1-OD1 2.84Å; A394-N440 CarbonylContact C-O 3.6Å; A394-N440 WeakPolarHBondContact CA-O 3.42Å; L395-N440 PolarHBondContact N-O 3.45Å; L395-N440 PolarHBondContact O-N 2.97Å
441	V	90.1	Very high	87.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127	176.6	176.8	0	0	0	0	108.8	I368 V384 T385 L386 S387 V393 A394 L405 L439 L446	I368-V441 HydrophobicContact CD1-CG2 4.43Å; V384-V441 HydrophobicContact CG1-CG2 4.12Å; T385-V441 PolarHBondContact O-N 3.4Å; L386-V441 HydrophobicContact CD2-CB 3.92Å; L386-V441 HydrophobicContact CD2-CG1 4.29Å; S387-V441 PolarHBondContact N-O 3.38Å; S387-V441 PolarHBondContact OG-O 2.71Å; V393-V441 WeakPolarHBondContact O-CA 3.32Å; A394-V441 HydrophobicContact CB-CG2 4.16Å; L405-V441 HydrophobicContact CD1-CG1 3.69Å; L439-V441 HydrophobicContact CD2-CG2 4.06Å; L439-V441 HydrophobicContact CG-CG2 4.21Å; V441-L446 HydrophobicContact CG1-CD1 3.95Å
442	K	89	Confident	88.2	Confident	66 Å²	66	28.9 Å²	28.9	29%	0.287	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.9	176.9	-48.1	-135.7	162	-170.2	0	108.4	D321 S387 H391 H392 V393	D321-K442 IonicContact OD1-NZ 3.74Å; D321-K442 PolarHBondContact OD1-NZ 2.93Å; D321-K442 IonicContact OD2-NZ 2.77Å; D321-K442 PolarHBondContact OD2-NZ 2.99Å; S387-K442 CarbonylContact O-C 3.56Å; S387-K442 VanDerWaalsContact O-CA 3.32Å; S387-K442 WeakPolarHBondContact O-CA 3.48Å; S387-K442 WeakPolarHBondContact OG-CD 3.16Å; S387-K442 WeakPolarHBondContact OG-CE 3.18Å; S387-K442 VanDerWaalsContact OG-CG 3.22Å; S387-K442 WeakPolarHBondContact OG-CG 3.45Å; H391-K442 CarbonylContact O-C 3.56Å; H392-K442 CarbonylContact C-O 3.59Å; H392-K442 VanDerWaalsContact CA-O 3.24Å; H392-K442 WeakPolarHBondContact CA-O 3.25Å; H392-K442 PolarHBondContact CD2-O 2.92Å; V393-K442 HydrophobicContact CG2-CB 3.93Å; V393-K442 HydrophobicContact CG2-CG 4.33Å; V393-K442 PolarHBondContact N-O 3.33Å; V393-K442 PolarHBondContact O-N 3.26Å
443	G	87.3	Confident	88.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.6	160.2	178.5	0	0	0	0	0	114.8	S387 E388 G389 H391 G445 L446	S387-G443 PolarHBondContact O-N 3.5Å; E388-G443 WeakPolarHBondContact CA-O 3.4Å; G389-G443 PolarHBondContact N-O 2.72Å; G389-G443 CarbonylContact O-C 3.09Å; H391-G443 WeakPolarHBondContact O-CA 3.48Å; G443-G445 PolarHBondContact O-N 3.5Å; G443-L446 PolarHBondContact O-N 3.34Å
444	P	86.6	Confident	88.5	Confident	74 Å²	74	28.4 Å²	28.4	48%	0.481	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	129.1	-175.7	28	-34.2	0	0	0	111.1	G389 L446	G389-P444 VanDerWaalsContact O-CA 3.28Å; G389-P444 WeakPolarHBondContact O-CA 3.42Å; P444-L446 PolarHBondContact O-N 3.23Å
445	G	81.8	Confident	88.7	Confident	42 Å²	42	25 Å²	25	43%	0.433	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	14.5	179.6	0	0	0	0	0	115.4	G443	G443-G445 PolarHBondContact O-N 3.5Å
446	L	87.2	Confident	88.7	Confident	4 Å²	4	21.6 Å²	21.6	2%	0.021	13%	0.127	C	C	.	.			trans	-71.6	133.7	170	-66.8	-173.4	0	0	0	110.7	Q365 V441 G443 P444	Q365-L446 HydrophobicContact CB-CD2 3.97Å; Q365-L446 HydrophobicContact CG-CD2 3.68Å; V441-L446 HydrophobicContact CG1-CD1 3.95Å; G443-L446 PolarHBondContact O-N 3.34Å; P444-L446 PolarHBondContact O-N 3.23Å
447	Q	87.2	Confident	88.7	Confident	67 Å²	67	18.8 Å²	18.8	31%	0.313	11%	0.11	S	C	.	.			trans	-73.5	129.1	175.1	-71.7	-60.8	-36.4	0	0	110.7	L386 M449 S604	L386-Q447 WeakPolarHBondContact CB-O 3.39Å; Q447-M449 HydrophobicContact CB-CE 3.66Å; Q447-M449 PolarHBondContact O-N 3.32Å; Q447-S604 PolarHBondContact OE1-OG 2.92Å; Q447-S604 VanDerWaalsContact OE1-OG 3.08Å
448	R	87.3	Confident	88.6	Confident	52 Å²	52	18.5 Å²	18.5	20%	0.196	11%	0.108	C	C	.	.			trans	-71.8	104.8	-174.3	-70.5	-179.8	-89.6	157.6	-19.7	111.1	I320 L386 W608 E1014	I320-R448 HydrophobicContact CB-CB 4.14Å; I320-R448 HydrophobicContact CB-CG 4.38Å; I320-R448 HydrophobicContact CG2-CB 4.19Å; I320-R448 HydrophobicContact CG2-CG 3.93Å; L386-R448 WeakPolarHBondContact O-CA 3.32Å; R448-W608 HydrophobicContact CB-CZ2 4.01Å; R448-W608 PolarHBondContact O-NE1 3.07Å; R448-E1014 IonicContact CZ-OE1 3.87Å; R448-E1014 VanDerWaalsContact CZ-OE1 3.26Å; R448-E1014 IonicContact CZ-OE2 2.76Å; R448-E1014 VanDerWaalsContact NH1-CD 3.32Å; R448-E1014 IonicContact NH1-OE1 3.46Å; R448-E1014 PolarHBondContact NH1-OE1 3.17Å; R448-E1014 IonicContact NH1-OE2 2.7Å; R448-E1014 PolarHBondContact NH1-OE2 3.31Å; R448-E1014 IonicContact NH2-OE1 2.62Å; R448-E1014 PolarHBondContact NH2-OE1 3.04Å; R448-E1014 IonicContact NH2-OE2 2.73Å; R448-E1014 PolarHBondContact NH2-OE2 3.36Å
449	M	88.6	Confident	88.2	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	163.6	-179.8	66.1	-179.9	77.9	0	0	113	I363 L386 Q447 L451 S600 V603 F607	I363-M449 HydrophobicContact CG2-CE 4.36Å; I363-M449 HydrophobicContact CG2-SD 4.24Å; L386-M449 HydrophobicContact CB-CG 4.34Å; L386-M449 HydrophobicContact CD1-CG 4.15Å; L386-M449 HydrophobicContact CG-CG 4.46Å; L386-M449 PolarHBondContact N-O 3.24Å; L386-M449 PolarHBondContact O-N 2.88Å; Q447-M449 HydrophobicContact CB-CE 3.66Å; Q447-M449 PolarHBondContact O-N 3.32Å; M449-L451 HydrophobicContact CG-CD1 4.17Å; M449-L451 HydrophobicContact CG-CG 4.08Å; M449-L451 HydrophobicContact SD-CD1 3.91Å; M449-L451 HydrophobicContact SD-CD2 3.97Å; M449-L451 HydrophobicContact SD-CG 3.87Å; M449-S600 WeakPolarHBondContact CE-O 3.43Å; M449-V603 HydrophobicContact CE-CB 4.39Å; M449-V603 HydrophobicContact CE-CG1 4.1Å; M449-V603 HydrophobicContact SD-CG1 3.77Å; M449-F607 HydrophobicContact CB-CD1 4.2Å; M449-F607 HydrophobicContact CB-CE1 4.41Å; M449-F607 HydrophobicContact CB-CG 4.37Å
450	V	89	Confident	87.7	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	113.2	170.1	-175.2	0	0	0	0	109.7	I320 Y323 L327 V346 K383 T385 F607	I320-V450 HydrophobicContact CD1-CG2 4Å; Y323-V450 HydrophobicContact CD1-CG2 4.14Å; Y323-V450 HydrophobicContact CE1-CG2 4.06Å; L327-V450 HydrophobicContact CD1-CG2 4.08Å; V346-V450 PolarHBondContact N-O 2.96Å; K383-V450 HydrophobicContact CG-CG1 4.03Å; T385-V450 HydrophobicContact CG2-CG2 4.47Å; V450-F607 HydrophobicContact CB-CE2 4.3Å; V450-F607 HydrophobicContact CB-CZ 4.42Å; V450-F607 HydrophobicContact CG2-CE2 4.5Å; V450-F607 HydrophobicContact CG2-CZ 4.16Å
451	L	91	Very high	87.3	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	150.9	176	-69.6	155.1	0	0	0	110.6	V346 V348 L360 I363 K383 V384 L386 M449	V346-L451 HydrophobicContact CB-CD2 3.94Å; V346-L451 HydrophobicContact CG1-CD2 3.77Å; V346-L451 CarbonylContact O-C 3.55Å; V346-L451 WeakPolarHBondContact O-CA 3.29Å; V348-L451 HydrophobicContact CG2-CD2 4.19Å; L360-L451 HydrophobicContact CD1-CB 4.28Å; L360-L451 HydrophobicContact CD2-CD1 4.08Å; L360-L451 HydrophobicContact CG-CD1 4.15Å; I363-L451 HydrophobicContact CG2-CD1 4.04Å; K383-L451 CarbonylContact C-O 3.49Å; K383-L451 WeakPolarHBondContact CA-O 3.31Å; V384-L451 HydrophobicContact CB-CB 4.44Å; V384-L451 PolarHBondContact N-O 2.86Å; V384-L451 PolarHBondContact O-N 2.82Å; L386-L451 HydrophobicContact CD1-CD1 3.55Å; L386-L451 HydrophobicContact CG-CD1 4.04Å; M449-L451 HydrophobicContact CG-CD1 4.17Å; M449-L451 HydrophobicContact CG-CG 4.08Å; M449-L451 HydrophobicContact SD-CD1 3.91Å; M449-L451 HydrophobicContact SD-CD2 3.97Å; M449-L451 HydrophobicContact SD-CG 3.87Å
452	V	91.1	Very high	86.9	Confident	4 Å²	4	31.8 Å²	31.8	2%	0.024	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	106.5	171.5	-172.6	0	0	0	0	109.1	V346 V348 P381 V382 L454	V346-V452 PolarHBondContact O-N 3.25Å; V348-V452 WeakPolarHBondContact CB-O 3.26Å; V348-V452 PolarHBondContact N-O 2.74Å; P381-V452 HydrophobicContact CB-CG1 4.45Å; V382-V452 CarbonylContact O-C 3.45Å; V382-V452 WeakPolarHBondContact O-CA 3.46Å; V452-L454 HydrophobicContact CG1-CD2 3.79Å
453	D	92.2	Very high	86.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	132.9	169.8	-163.3	35.2	0	0	0	109.2	T357 L360 T378 P381 V382	T357-D453 PolarHBondContact OG1-OD2 3.41Å; L360-D453 HydrophobicContact CD1-CB 3.75Å; T378-D453 PolarHBondContact OG1-OD2 3.49Å; P381-D453 VanDerWaalsContact CA-O 3.31Å; P381-D453 WeakPolarHBondContact CA-O 3.15Å; V382-D453 PolarHBondContact N-O 3.24Å; V382-D453 PolarHBondContact O-N 2.82Å
454	L	91.2	Very high	85.5	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	26%	0.255	C	S	.	.			trans	-113.8	147.9	175.9	-61.1	-170.5	0	0	0	111.3	V347 V349 K356 P381 V452 G456 I476 Y480	V347-L454 HydrophobicContact CG1-CD1 3.57Å; V347-L454 HydrophobicContact CG1-CG 4.1Å; V349-L454 HydrophobicContact CG2-CD1 4.38Å; K356-L454 WeakPolarHBondContact CE-O 3.31Å; P381-L454 HydrophobicContact CB-CD2 3.84Å; P381-L454 HydrophobicContact CG-CD2 4.03Å; V452-L454 HydrophobicContact CG1-CD2 3.79Å; L454-G456 PolarHBondContact O-N 3.08Å; L454-I476 HydrophobicContact CD2-CG2 4.38Å; L454-Y480 HydrophobicContact CD1-CD2 4.11Å; L454-Y480 HydrophobicContact CD1-CG 4.37Å; L454-Y480 HydrophobicContact CD2-CD2 3.65Å; L454-Y480 HydrophobicContact CD2-CE2 3.99Å; L454-Y480 HydrophobicContact CD2-CG 4.24Å
455	P	89.3	Confident	85.3	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.019	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-46.5	134.6	167.2	-29.1	36.3	0	0	0	111.7	T378 V432 I473	T378-P455 HydrophobicContact CG2-CG 4.42Å; V432-P455 HydrophobicContact CG1-CG 4.14Å; P455-I473 HydrophobicContact CB-CD1 4.35Å; P455-I473 HydrophobicContact CB-CG1 4Å; P455-I473 HydrophobicContact CB-CG2 4.32Å
456	G	88.1	Confident	85.4	Confident	10 Å²	10	35.3 Å²	35.3	10%	0.103	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-70.1	137.4	-176.4	0	0	0	0	0	112.6	L454 I458	L454-G456 PolarHBondContact O-N 3.08Å; G456-I458 PolarHBondContact O-N 2.89Å
457	V	87.4	Confident	85.2	Confident	7 Å²	7	40.8 Å²	40.8	4%	0.042	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-62.3	132.9	176.2	179.7	0	0	0	0	109.7	G350 Q352 I473 I502 V503	G350-V457 PolarHBondContact O-N 3.33Å; Q352-V457 PolarHBondContact N-O 3.47Å; V457-I473 HydrophobicContact CG2-CG2 4.37Å; V457-I502 HydrophobicContact CG1-CB 4.41Å; V457-V503 HydrophobicContact CB-CG2 3.78Å; V457-V503 HydrophobicContact CG1-CG2 4.43Å; V457-V503 HydrophobicContact CG2-CG2 3.63Å
458	I	87	Confident	85.2	Confident	4 Å²	4	40.4 Å²	40.4	2%	0.021	26%	0.26	C	S	.	.			trans	-115.8	137.2	-178	61.7	177	0	0	0	111.2	Q352 G456 V461 M465 T469 K470 I473	Q352-I458 HydrophobicContact CB-CG2 4.16Å; G456-I458 PolarHBondContact O-N 2.89Å; I458-V461 HydrophobicContact CD1-CG2 4.33Å; I458-M465 HydrophobicContact CD1-SD 4.11Å; I458-T469 HydrophobicContact CD1-CG2 4.01Å; I458-K470 HydrophobicContact CD1-CB 4.34Å; I458-K470 HydrophobicContact CG1-CB 4.09Å; I458-K470 HydrophobicContact CG1-CG 4.29Å; I458-K470 WeakPolarHBondContact O-CD 3.42Å; I458-K470 VanDerWaalsContact O-CE 3.24Å; I458-K470 WeakPolarHBondContact O-CE 3.39Å; I458-K470 WeakPolarHBondContact O-CG 3.28Å; I458-I473 HydrophobicContact CD1-CD1 4.13Å; I458-I473 HydrophobicContact CG1-CD1 4.19Å
459	N	80.9	Confident	85.1	Confident	75 Å²	75	38 Å²	38	40%	0.401	25%	0.251	S	S	.	.	S	Bend	trans	-84.2	-34.4	177.4	-70.8	-0.8	0	0	0	111.9	K470 I502	N459-K470 PolarHBondContact O-NZ 2.92Å; N459-I502 WeakPolarHBondContact OD1-CD1 3.32Å; N459-I502 WeakPolarHBondContact OD1-CG1 3.38Å
460	T	80.9	Confident	85.1	Confident	116 Å²	116	41.7 Å²	41.7	71%	0.712	27%	0.267	S	S	*	.	S	Bend	trans	-135.2	143.3	-176.5	50.2	0	0	0	0	111
461	V	80.5	Confident	85.1	Confident	57 Å²	57	48.6 Å²	48.6	35%	0.345	30%	0.299	S	S	.	.			trans	-91.4	131.7	-179.8	-177.7	0	0	0	0	110	I458 M465 A466 K470	I458-V461 HydrophobicContact CD1-CG2 4.33Å; V461-M465 HydrophobicContact CG1-CB 3.59Å; V461-A466 WeakPolarHBondContact CG1-O 3.14Å; V461-K470 HydrophobicContact CG2-CB 4.17Å
462	T	81.4	Confident	85	Confident	85 Å²	85	50.2 Å²	50.2	52%	0.521	31%	0.309	S	S	.	.			trans	-83	159.4	177.4	-3.2	0	0	0	0	112.1	G464 M465	T462-G464 PolarHBondContact O-N 3.16Å; T462-M465 PolarHBondContact O-N 2.9Å
463	S	74.4	Confident	84.9	Confident	138 Å²	138	50.1 Å²	50.1	97%	0.965	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-10.1	-175.7	49.5	0	0	0	0	116.5
464	G	73.4	Confident	84.8	Confident	73 Å²	73	53.4 Å²	53.4	75%	0.753	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	9.8	173.1	0	0	0	0	0	114.7	T462	T462-G464 PolarHBondContact O-N 3.16Å
465	M	82.3	Confident	84.8	Confident	33 Å²	33	56.7 Å²	56.7	16%	0.163	35%	0.346	C	S	.	.	S	Bend	trans	-111.8	151.8	179.5	-62.5	-175.1	168.6	0	0	111.3	M376 T431 I458 V461 T462 T469	M376-M465 HydrophobicContact CB-CE 3.78Å; M376-M465 HydrophobicContact CE-CE 4.41Å; M376-M465 HydrophobicContact CG-CE 4.41Å; M376-M465 HydrophobicContact SD-CE 3.84Å; T431-M465 HydrophobicContact CG2-CB 4.28Å; T431-M465 HydrophobicContact CG2-CG 4.12Å; I458-M465 HydrophobicContact CD1-SD 4.11Å; V461-M465 HydrophobicContact CG1-CB 3.59Å; T462-M465 PolarHBondContact O-N 2.9Å; M465-T469 HydrophobicContact SD-CG2 4.48Å
466	A	82.7	Confident	84.9	Confident	11 Å²	11	57 Å²	57	9%	0.091	35%	0.348	C	S	.	.			trans	-67.6	144.9	173.1	0	0	0	0	0	111.1	G429 T431 V461 D468 T469	G429-A466 WeakPolarHBondContact O-CB 3.39Å; T431-A466 WeakPolarHBondContact OG1-CB 3.32Å; T431-A466 PolarHBondContact OG1-N 3.39Å; V461-A466 WeakPolarHBondContact CG1-O 3.14Å; A466-D468 VanDerWaalsContact C-N 3.28Å; A466-D468 WeakPolarHBondContact CB-OD1 3.35Å; A466-D468 PolarHBondContact O-N 3.5Å; A466-T469 PolarHBondContact N-OG1 3.02Å; A466-T469 VanDerWaalsContact O-CB 3.23Å; A466-T469 WeakPolarHBondContact O-CB 3.22Å; A466-T469 PolarHBondContact O-N 3.28Å; A466-T469 VanDerWaalsContact O-N 3.11Å; A466-T469 PolarHBondContact O-OG1 3.22Å
467	P	82.7	Confident	85	Confident	120 Å²	120	56.6 Å²	56.6	78%	0.779	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.4	-171.3	26.9	-35.2	0	0	0	113.7	T469	P467-T469 VanDerWaalsContact C-N 3.33Å
468	D	87	Confident	85.1	Confident	58 Å²	58	60.2 Å²	60.2	31%	0.31	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-15.9	177.1	68.2	-64	0	0	0	113.5	A466 K470 E471 T472	A466-D468 VanDerWaalsContact C-N 3.28Å; A466-D468 WeakPolarHBondContact CB-OD1 3.35Å; A466-D468 PolarHBondContact O-N 3.5Å; D468-K470 PolarHBondContact O-N 3.46Å; D468-E471 WeakPolarHBondContact O-CA 3.49Å; D468-E471 PolarHBondContact O-N 2.86Å; D468-T472 PolarHBondContact O-N 2.96Å; D468-T472 PolarHBondContact O-OG1 3.42Å; D468-T472 PolarHBondContact OD2-OG1 3.25Å
469	T	86.7	Confident	85.1	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.006	38%	0.378	C	S	.	.	H	α-helix	trans	-47.8	-38.6	-169.6	-59.6	0	0	0	0	113	T431 V432 I458 M465 A466 P467 I473	T431-T469 WeakPolarHBondContact CB-OG1 3.32Å; T431-T469 HydrophobicContact CG2-CG2 4.48Å; V432-T469 HydrophobicContact CG2-CG2 3.88Å; I458-T469 HydrophobicContact CD1-CG2 4.01Å; M465-T469 HydrophobicContact SD-CG2 4.48Å; A466-T469 PolarHBondContact N-OG1 3.02Å; A466-T469 VanDerWaalsContact O-CB 3.23Å; A466-T469 WeakPolarHBondContact O-CB 3.22Å; A466-T469 PolarHBondContact O-N 3.28Å; A466-T469 VanDerWaalsContact O-N 3.11Å; A466-T469 PolarHBondContact O-OG1 3.22Å; P467-T469 VanDerWaalsContact C-N 3.33Å; T469-I473 HydrophobicContact CG2-CD1 3.81Å; T469-I473 HydrophobicContact CG2-CG1 4.38Å; T469-I473 WeakPolarHBondContact O-CB 3.36Å; T469-I473 WeakPolarHBondContact O-CG1 3.32Å; T469-I473 PolarHBondContact O-N 2.92Å
470	K	87.4	Confident	85.5	Confident	79 Å²	79	61.4 Å²	61.4	34%	0.343	37%	0.368	S	S	.	.	H	α-helix	trans	-63.9	-44.1	177.9	-179.2	173.9	-178.6	179.5	0	112.8	I458 N459 V461 D468 F474	I458-K470 HydrophobicContact CD1-CB 4.34Å; I458-K470 HydrophobicContact CG1-CB 4.09Å; I458-K470 HydrophobicContact CG1-CG 4.29Å; I458-K470 WeakPolarHBondContact O-CD 3.42Å; I458-K470 VanDerWaalsContact O-CE 3.24Å; I458-K470 WeakPolarHBondContact O-CE 3.39Å; I458-K470 WeakPolarHBondContact O-CG 3.28Å; N459-K470 PolarHBondContact O-NZ 2.92Å; V461-K470 HydrophobicContact CG2-CB 4.17Å; D468-K470 PolarHBondContact O-N 3.46Å; K470-F474 WeakPolarHBondContact O-CB 3.35Å; K470-F474 PolarHBondContact O-N 3.24Å; K470-F474 VanDerWaalsContact O-N 3.09Å
471	E	89.2	Confident	85.8	Confident	145 Å²	145	55.9 Å²	55.9	68%	0.678	33%	0.334	S	S	*	.	H	α-helix	trans	-73.5	-38.6	179.8	-61.1	-175.2	-176.4	0	0	110.8	D468 F474 S475	D468-E471 WeakPolarHBondContact O-CA 3.49Å; D468-E471 PolarHBondContact O-N 2.86Å; E471-F474 PolarHBondContact O-N 3.45Å; E471-S475 WeakPolarHBondContact O-CB 3.34Å; E471-S475 PolarHBondContact O-N 3.16Å; E471-S475 PolarHBondContact O-OG 3.32Å
472	T	88.9	Confident	86.1	Confident	35 Å²	35	58.7 Å²	58.7	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-62.8	-42.1	174.1	-62.5	0	0	0	0	112.2	V432 D468 S475 I476	V432-T472 HydrophobicContact CB-CG2 4.32Å; V432-T472 HydrophobicContact CG1-CG2 4.18Å; D468-T472 PolarHBondContact O-N 2.96Å; D468-T472 PolarHBondContact O-OG1 3.42Å; D468-T472 PolarHBondContact OD2-OG1 3.25Å; T472-S475 PolarHBondContact O-OG 3.5Å; T472-I476 HydrophobicContact CG2-CD1 4.14Å; T472-I476 WeakPolarHBondContact O-CD1 3.46Å; T472-I476 VanDerWaalsContact O-CG1 3.25Å; T472-I476 WeakPolarHBondContact O-CG1 3.24Å; T472-I476 PolarHBondContact O-N 3.1Å; T472-I476 VanDerWaalsContact O-N 3.16Å
473	I	90.3	Very high	86.3	Confident	2 Å²	2	55 Å²	55	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-63.5	-46	171.7	-68.7	167.3	0	0	0	110.6	M376 V432 P455 V457 I458 T469 S475 I476 S477	M376-I473 HydrophobicContact SD-CD1 4.49Å; V432-I473 HydrophobicContact CB-CG1 4.47Å; V432-I473 HydrophobicContact CG1-CG1 4.19Å; V432-I473 HydrophobicContact CG2-CD1 4.09Å; V432-I473 HydrophobicContact CG2-CG1 3.88Å; P455-I473 HydrophobicContact CB-CD1 4.35Å; P455-I473 HydrophobicContact CB-CG1 4Å; P455-I473 HydrophobicContact CB-CG2 4.32Å; V457-I473 HydrophobicContact CG2-CG2 4.37Å; I458-I473 HydrophobicContact CD1-CD1 4.13Å; I458-I473 HydrophobicContact CG1-CD1 4.19Å; T469-I473 HydrophobicContact CG2-CD1 3.81Å; T469-I473 HydrophobicContact CG2-CG1 4.38Å; T469-I473 WeakPolarHBondContact O-CB 3.36Å; T469-I473 WeakPolarHBondContact O-CG1 3.32Å; T469-I473 PolarHBondContact O-N 2.92Å; I473-S475 VanDerWaalsContact C-N 3.34Å; I473-S475 PolarHBondContact O-N 2.92Å; I473-I476 PolarHBondContact O-N 3.49Å; I473-S477 PolarHBondContact O-N 2.94Å; I473-S477 PolarHBondContact O-OG 3.45Å
474	F	90	Very high	86.7	Confident	69 Å²	69	52.5 Å²	52.5	30%	0.303	30%	0.302	S	S	.	.	H	α-helix	trans	-64.5	-36.5	-177.6	-160.6	-87.6	0	0	0	112.4	K470 E471 K478 I502 L506	K470-F474 WeakPolarHBondContact O-CB 3.35Å; K470-F474 PolarHBondContact O-N 3.24Å; K470-F474 VanDerWaalsContact O-N 3.09Å; E471-F474 PolarHBondContact O-N 3.45Å; F474-K478 WeakPolarHBondContact O-CB 3.18Å; F474-K478 PolarHBondContact O-N 3.37Å; F474-I502 HydrophobicContact CE2-CG2 4.15Å; F474-L506 HydrophobicContact CD2-CD2 4.11Å; F474-L506 HydrophobicContact CE1-CD1 4.03Å; F474-L506 HydrophobicContact CE2-CB 4.41Å; F474-L506 HydrophobicContact CE2-CD1 4.26Å; F474-L506 HydrophobicContact CE2-CD2 3.8Å; F474-L506 HydrophobicContact CE2-CG 4.38Å; F474-L506 HydrophobicContact CZ-CB 4.46Å; F474-L506 HydrophobicContact CZ-CD1 3.71Å; F474-L506 HydrophobicContact CZ-CD2 4.11Å; F474-L506 HydrophobicContact CZ-CG 4.3Å
475	S	90.4	Very high	87.1	Confident	69 Å²	69	50.7 Å²	50.7	48%	0.483	27%	0.274	S	S	.	.	H	α-helix	trans	-69.5	-42.2	176.3	69.5	0	0	0	0	112.1	E471 T472 I473 K478 A479	E471-S475 WeakPolarHBondContact O-CB 3.34Å; E471-S475 PolarHBondContact O-N 3.16Å; E471-S475 PolarHBondContact O-OG 3.32Å; T472-S475 PolarHBondContact O-OG 3.5Å; I473-S475 VanDerWaalsContact C-N 3.34Å; I473-S475 PolarHBondContact O-N 2.92Å; S475-K478 PolarHBondContact O-N 2.9Å; S475-A479 WeakPolarHBondContact O-CB 3.31Å; S475-A479 PolarHBondContact O-N 3.07Å
476	I	90.2	Very high	87.4	Confident	11 Å²	11	49.1 Å²	49.1	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-60.1	-53	172.9	-69.1	165.9	0	0	0	110.5	P381 V432 P434 L454 T472 I473 K478 A479 Y480	P381-I476 HydrophobicContact CG-CG2 3.87Å; V432-I476 HydrophobicContact CG1-CD1 3.64Å; P434-I476 HydrophobicContact CB-CD1 4.1Å; P434-I476 HydrophobicContact CB-CG1 4.1Å; L454-I476 HydrophobicContact CD2-CG2 4.38Å; T472-I476 HydrophobicContact CG2-CD1 4.14Å; T472-I476 WeakPolarHBondContact O-CD1 3.46Å; T472-I476 VanDerWaalsContact O-CG1 3.25Å; T472-I476 WeakPolarHBondContact O-CG1 3.24Å; T472-I476 PolarHBondContact O-N 3.1Å; T472-I476 VanDerWaalsContact O-N 3.16Å; I473-I476 PolarHBondContact O-N 3.49Å; I476-K478 VanDerWaalsContact C-N 3.29Å; I476-K478 PolarHBondContact O-N 2.88Å; I476-A479 PolarHBondContact O-N 2.89Å; I476-Y480 HydrophobicContact CG2-CD2 4.04Å; I476-Y480 HydrophobicContact CG2-CE2 4.02Å; I476-Y480 WeakPolarHBondContact O-CD2 3.44Å; I476-Y480 PolarHBondContact O-N 3.43Å
477	S	90.5	Very high	87.8	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.007	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-40.5	178.1	-61.7	0	0	0	0	112.4	I473 M481	I473-S477 PolarHBondContact O-N 2.94Å; I473-S477 PolarHBondContact O-OG 3.45Å; S477-M481 WeakPolarHBondContact O-CB 3.43Å; S477-M481 WeakPolarHBondContact O-CE 3.47Å; S477-M481 WeakPolarHBondContact O-CG 3.47Å; S477-M481 PolarHBondContact O-N 2.94Å; S477-M481 VanDerWaalsContact O-N 3.12Å
478	K	89.8	Confident	88.4	Confident	82 Å²	82	42.9 Å²	42.9	36%	0.357	23%	0.226	S	C	.	.	H	α-helix	trans	-65.4	-45.1	177.2	-175.9	176.8	175.9	178	0	112	F474 S475 I476 Y480 M481 Q482 M510	F474-K478 WeakPolarHBondContact O-CB 3.18Å; F474-K478 PolarHBondContact O-N 3.37Å; S475-K478 PolarHBondContact O-N 2.9Å; I476-K478 VanDerWaalsContact C-N 3.29Å; I476-K478 PolarHBondContact O-N 2.88Å; K478-Y480 PolarHBondContact O-N 3.21Å; K478-M481 CarbonylContact O-C 3.59Å; K478-M481 PolarHBondContact O-N 3.05Å; K478-Q482 HydrophobicContact CG-CG 4.07Å; K478-Q482 WeakPolarHBondContact O-CB 3.38Å; K478-Q482 VanDerWaalsContact O-CG 3.27Å; K478-Q482 WeakPolarHBondContact O-CG 3.25Å; K478-Q482 PolarHBondContact O-N 3.46Å; K478-M510 HydrophobicContact CD-CE 4.29Å; K478-M510 HydrophobicContact CG-CE 4.03Å; K478-M510 HydrophobicContact CG-SD 4.26Å
479	A	87.8	Confident	88.7	Confident	53 Å²	53	40.2 Å²	40.2	44%	0.438	21%	0.211	S	C	.	.	H	α-helix	trans	-56.6	-51.3	178.3	0	0	0	0	0	111.8	S475 I476 M481 Q482	S475-A479 WeakPolarHBondContact O-CB 3.31Å; S475-A479 PolarHBondContact O-N 3.07Å; I476-A479 PolarHBondContact O-N 2.89Å; A479-M481 VanDerWaalsContact C-N 3.3Å; A479-M481 PolarHBondContact O-N 3.43Å; A479-Q482 PolarHBondContact O-N 2.96Å
480	Y	88	Confident	89	Confident	51 Å²	51	40.2 Å²	40.2	20%	0.2	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-30.2	177.9	-76.8	-71.3	0	0	0	114	P381 T436 L454 I476 K478 A486	P381-Y480 HydrophobicContact CB-CE2 4.4Å; P381-Y480 HydrophobicContact CG-CE2 4.15Å; T436-Y480 WeakPolarHBondContact CG2-OH 3.41Å; L454-Y480 HydrophobicContact CD1-CD2 4.11Å; L454-Y480 HydrophobicContact CD1-CG 4.37Å; L454-Y480 HydrophobicContact CD2-CD2 3.65Å; L454-Y480 HydrophobicContact CD2-CE2 3.99Å; L454-Y480 HydrophobicContact CD2-CG 4.24Å; I476-Y480 HydrophobicContact CG2-CD2 4.04Å; I476-Y480 HydrophobicContact CG2-CE2 4.02Å; I476-Y480 WeakPolarHBondContact O-CD2 3.44Å; I476-Y480 PolarHBondContact O-N 3.43Å; K478-Y480 PolarHBondContact O-N 3.21Å; Y480-A486 VanDerWaalsContact O-CB 3.31Å; Y480-A486 WeakPolarHBondContact O-CB 3.06Å
481	M	88.1	Confident	89.2	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-83.5	-20.8	175.7	-74.8	-173.3	-80.8	0	0	114.2	V349 S477 K478 A479 N483 I488 L506 V507 M510 R516	V349-M481 HydrophobicContact CB-SD 4.48Å; V349-M481 HydrophobicContact CG1-CE 3.89Å; V349-M481 HydrophobicContact CG1-SD 4.3Å; V349-M481 HydrophobicContact CG2-CE 4.18Å; V349-M481 HydrophobicContact CG2-CG 4.18Å; V349-M481 HydrophobicContact CG2-SD 3.9Å; S477-M481 WeakPolarHBondContact O-CB 3.43Å; S477-M481 WeakPolarHBondContact O-CE 3.47Å; S477-M481 WeakPolarHBondContact O-CG 3.47Å; S477-M481 PolarHBondContact O-N 2.94Å; S477-M481 VanDerWaalsContact O-N 3.12Å; K478-M481 CarbonylContact O-C 3.59Å; K478-M481 PolarHBondContact O-N 3.05Å; A479-M481 VanDerWaalsContact C-N 3.3Å; A479-M481 PolarHBondContact O-N 3.43Å; M481-N483 VanDerWaalsContact C-N 3.34Å; M481-I488 HydrophobicContact CB-CD1 4.11Å; M481-I488 HydrophobicContact CG-CD1 3.86Å; M481-I488 HydrophobicContact CG-CG1 4.07Å; M481-I488 HydrophobicContact CG-CG2 4.34Å; M481-I488 HydrophobicContact SD-CD1 4.05Å; M481-I488 HydrophobicContact SD-CG2 3.94Å; M481-L506 HydrophobicContact CE-CD1 4.33Å; M481-L506 HydrophobicContact CE-CD2 3.53Å; M481-L506 HydrophobicContact CE-CG 3.66Å; M481-V507 HydrophobicContact SD-CG2 3.92Å; M481-M510 HydrophobicContact CB-CB 4.08Å; M481-M510 HydrophobicContact CB-CG 3.89Å; M481-R516 PolarHBondContact O-NH1 2.94Å; M481-R516 VanDerWaalsContact O-NH1 3.14Å; M481-R516 PolarHBondContact O-NH2 3.28Å
482	Q	87.6	Confident	89.2	Confident	117 Å²	117	29.9 Å²	29.9	55%	0.547	16%	0.164	S	C	.	.	H	α-helix	trans	-70.4	-30.3	179.1	-83.4	179.3	-73.7	0	0	112.7	K478 A479 M510	K478-Q482 HydrophobicContact CG-CG 4.07Å; K478-Q482 WeakPolarHBondContact O-CB 3.38Å; K478-Q482 VanDerWaalsContact O-CG 3.27Å; K478-Q482 WeakPolarHBondContact O-CG 3.25Å; K478-Q482 PolarHBondContact O-N 3.46Å; A479-Q482 PolarHBondContact O-N 2.96Å; Q482-M510 HydrophobicContact CG-SD 3.92Å
483	N	84.3	Confident	89.2	Confident	8 Å²	8	29.1 Å²	29.1	4%	0.043	16%	0.159	C	C	.	.	S	Bend	trans	-53.3	122.7	169.1	171.4	-25.8	0	0	0	109.8	D341 M481 N485 A486 R516	D341-N483 VanDerWaalsContact CA-ND2 3.27Å; D341-N483 WeakPolarHBondContact CA-ND2 3.33Å; D341-N483 HydrophobicContact CB-CB 4.33Å; D341-N483 WeakPolarHBondContact CB-ND2 3.29Å; D341-N483 VanDerWaalsContact CG-ND2 3.28Å; D341-N483 VanDerWaalsContact O-CG 3.3Å; D341-N483 PolarHBondContact O-ND2 3.36Å; D341-N483 PolarHBondContact O-OD1 3Å; D341-N483 PolarHBondContact OD1-ND2 3.44Å; M481-N483 VanDerWaalsContact C-N 3.34Å; N483-N485 VanDerWaalsContact C-N 3.31Å; N483-N485 PolarHBondContact O-N 3Å; N483-N485 WeakPolarHBondContact OD1-CA 3.5Å; N483-N485 WeakPolarHBondContact OD1-CB 3.38Å; N483-N485 PolarHBondContact OD1-N 2.88Å; N483-A486 HydrophobicContact CB-CB 4.11Å; N483-A486 WeakPolarHBondContact O-CB 3.26Å; N483-A486 PolarHBondContact O-N 3.01Å; N483-A486 PolarHBondContact OD1-N 2.65Å; N483-A486 VanDerWaalsContact OD1-N 3.09Å; N483-R516 PolarHBondContact O-NH1 2.9Å
484	P	83.1	Confident	88.8	Confident	85 Å²	85	29.7 Å²	29.7	55%	0.552	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-20.6	-175.7	29.9	-35.3	0	0	0	114	R516	P484-R516 VanDerWaalsContact O-CD 3.23Å; P484-R516 WeakPolarHBondContact O-CD 3.35Å
485	N	82.3	Confident	88.3	Confident	34 Å²	34	28.6 Å²	28.6	18%	0.182	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-6.9	178	-55.8	-65.6	0	0	0	112.7	D341 H342 P344 N483 I487 M610	D341-N485 PolarHBondContact O-ND2 2.6Å; H342-N485 WeakPolarHBondContact CA-ND2 3.2Å; H342-N485 PolarHBondContact O-ND2 3.27Å; P344-N485 WeakPolarHBondContact CA-O 3.44Å; P344-N485 HydrophobicContact CG-CB 4.23Å; N483-N485 VanDerWaalsContact C-N 3.31Å; N483-N485 PolarHBondContact O-N 3Å; N483-N485 WeakPolarHBondContact OD1-CA 3.5Å; N483-N485 WeakPolarHBondContact OD1-CB 3.38Å; N483-N485 PolarHBondContact OD1-N 2.88Å; N485-I487 PolarHBondContact O-N 3.4Å; N485-M610 HydrophobicContact CB-CE 4.45Å; N485-M610 VanDerWaalsContact O-CE 3.24Å; N485-M610 WeakPolarHBondContact O-CE 3.27Å
486	A	88.3	Confident	87.7	Confident	1 Å²	1	29 Å²	29	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	123.4	172.3	0	0	0	0	0	110.9	R345 V347 Y480 N483 R516	R345-A486 WeakPolarHBondContact O-CA 3.17Å; V347-A486 HydrophobicContact CG2-CB 3.89Å; Y480-A486 VanDerWaalsContact O-CB 3.31Å; Y480-A486 WeakPolarHBondContact O-CB 3.06Å; N483-A486 HydrophobicContact CB-CB 4.11Å; N483-A486 WeakPolarHBondContact O-CB 3.26Å; N483-A486 PolarHBondContact O-N 3.01Å; N483-A486 PolarHBondContact OD1-N 2.65Å; N483-A486 VanDerWaalsContact OD1-N 3.09Å; A486-R516 WeakPolarHBondContact O-CD 3.42Å; A486-R516 PolarHBondContact O-NH1 3.38Å
487	I	91.8	Very high	86.9	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	124.1	168	-65.7	170.4	0	0	0	107.3	R345 V346 V347 N485 R516 I518 C606 F607 M610	R345-I487 PolarHBondContact O-N 3.09Å; V346-I487 CarbonylContact C-O 3.59Å; V346-I487 WeakPolarHBondContact CA-O 3.33Å; V346-I487 HydrophobicContact CG1-CG2 4.41Å; V346-I487 HydrophobicContact CG2-CB 4.26Å; V346-I487 HydrophobicContact CG2-CD1 4.38Å; V346-I487 HydrophobicContact CG2-CG2 4.48Å; V347-I487 PolarHBondContact N-O 2.61Å; N485-I487 PolarHBondContact O-N 3.4Å; I487-R516 CarbonylContact C-O 3.51Å; I487-R516 VanDerWaalsContact CA-O 3.32Å; I487-R516 WeakPolarHBondContact CA-O 3.26Å; I487-I518 HydrophobicContact CG2-CD1 4.1Å; I487-C606 HydrophobicContact CD1-CB 4.25Å; I487-F607 HydrophobicContact CD1-CB 4.06Å; I487-M610 HydrophobicContact CD1-SD 3.77Å; I487-M610 HydrophobicContact CG1-CE 4.22Å; I487-M610 HydrophobicContact CG1-SD 3.49Å; I487-M610 WeakPolarHBondContact CG1-SD 3.44Å
488	I	93.6	Very high	85.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	108	-175.9	-54.4	177.7	0	0	0	108.9	V349 M481 C490 V507 M510 D511 R516 T517 I518	V349-I488 HydrophobicContact CG2-CG2 4.32Å; M481-I488 HydrophobicContact CB-CD1 4.11Å; M481-I488 HydrophobicContact CG-CD1 3.86Å; M481-I488 HydrophobicContact CG-CG1 4.07Å; M481-I488 HydrophobicContact CG-CG2 4.34Å; M481-I488 HydrophobicContact SD-CD1 4.05Å; M481-I488 HydrophobicContact SD-CG2 3.94Å; I488-C490 PolarHBondContact O-N 3.42Å; I488-V507 HydrophobicContact CG2-CG1 4.14Å; I488-V507 HydrophobicContact CG2-CG2 3.9Å; I488-M510 HydrophobicContact CD1-CB 4.32Å; I488-D511 HydrophobicContact CD1-CB 4.4Å; I488-R516 PolarHBondContact N-O 2.78Å; I488-T517 CarbonylContact O-C 3.58Å; I488-T517 WeakPolarHBondContact O-CA 3.25Å; I488-I518 PolarHBondContact O-N 2.78Å
489	L	94.1	Very high	85.1	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	94.5	173	-169.1	67.8	0	0	0	109.1	V346 V347 V348 V349 I491 I518 V520 L599 V603	V346-L489 HydrophobicContact CG1-CB 4.02Å; V347-L489 PolarHBondContact O-N 3.18Å; V348-L489 HydrophobicContact CG1-CD2 4.45Å; V348-L489 HydrophobicContact CG2-CB 4.47Å; V348-L489 HydrophobicContact CG2-CD2 4.13Å; V349-L489 PolarHBondContact N-O 2.84Å; V349-L489 VanDerWaalsContact O-O 3.13Å; L489-I491 HydrophobicContact CD2-CD1 4.17Å; L489-I491 HydrophobicContact CG-CD1 4.34Å; L489-I491 HydrophobicContact CG-CG1 4.22Å; L489-I518 HydrophobicContact CD1-CB 4.02Å; L489-I518 HydrophobicContact CD1-CG2 3.84Å; L489-V520 HydrophobicContact CD1-CG2 3.59Å; L489-V520 HydrophobicContact CG-CG2 4.25Å; L489-L599 HydrophobicContact CD1-CD1 4.22Å; L489-V603 HydrophobicContact CD1-CG2 4.12Å
490	C	92.7	Very high	84.5	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	110	-177.5	-179.2	0	0	0	0	110.6	V349 I488 V507 T517 I518 F519 V520	V349-C490 WeakPolarHBondContact O-CA 3.33Å; I488-C490 PolarHBondContact O-N 3.42Å; C490-V507 HydrophobicContact CB-CG2 4.4Å; C490-T517 HydrophobicContact CB-CG2 4.33Å; C490-I518 PolarHBondContact N-O 3.02Å; C490-F519 HydrophobicContact CB-CD2 4.42Å; C490-V520 PolarHBondContact O-N 3.5Å
491	I	92.3	Very high	84.1	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.5	-174.5	-57.7	-174.1	0	0	0	110.2	V348 V349 G350 A354 K356 V359 L489 V520 T522	V348-I491 HydrophobicContact CG1-CD1 3.44Å; V348-I491 VanDerWaalsContact CG1-CD1 3.44Å; V348-I491 HydrophobicContact CG1-CG1 4.24Å; V349-I491 PolarHBondContact O-N 2.96Å; G350-I491 VanDerWaalsContact CA-O 3.24Å; G350-I491 WeakPolarHBondContact CA-O 3.39Å; A354-I491 WeakPolarHBondContact O-CG2 3.33Å; K356-I491 HydrophobicContact CB-CD1 4.42Å; K356-I491 HydrophobicContact CG-CB 4.15Å; K356-I491 HydrophobicContact CG-CD1 4.27Å; K356-I491 HydrophobicContact CG-CG2 4.49Å; V359-I491 HydrophobicContact CB-CD1 3.87Å; V359-I491 HydrophobicContact CG1-CD1 3.96Å; V359-I491 HydrophobicContact CG2-CD1 4.12Å; V359-I491 HydrophobicContact CG2-CG2 4.32Å; L489-I491 HydrophobicContact CD2-CD1 4.17Å; L489-I491 HydrophobicContact CG-CD1 4.34Å; L489-I491 HydrophobicContact CG-CG1 4.22Å; I491-V520 WeakPolarHBondContact CA-O 3.32Å; I491-V520 HydrophobicContact CG1-CB 4.19Å; I491-T522 HydrophobicContact CG2-CG2 3.54Å
492	Q	89.6	Confident	83.9	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.028	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.4	-178.5	-169.9	165.3	33.2	0	0	112.1	A498 S501 F519 V520 L521 T522 F546	Q492-A498 PolarHBondContact NE2-O 3.47Å; Q492-S501 VanDerWaalsContact NE2-CB 3.32Å; Q492-F519 HydrophobicContact CB-CE2 3.93Å; Q492-F519 HydrophobicContact CB-CZ 3.82Å; Q492-F519 VanDerWaalsContact OE1-CZ 3.27Å; Q492-V520 PolarHBondContact N-O 3.46Å; Q492-L521 HydrophobicContact CB-CD1 4.47Å; Q492-L521 WeakPolarHBondContact O-CA 3.3Å; Q492-T522 PolarHBondContact O-N 2.8Å; Q492-T522 PolarHBondContact O-OG1 3.24Å; Q492-F546 VanDerWaalsContact OE1-CE2 3.3Å; Q492-F546 VanDerWaalsContact OE1-CZ 3.31Å
493	D	88	Confident	83.9	Confident	19 Å²	19	36 Å²	36	10%	0.102	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	119.3	176.5	-166.2	-31.4	0	0	0	111.2	A354 S495 V496 K523	A354-D493 HydrophobicContact CB-CB 4.42Å; D493-S495 VanDerWaalsContact C-N 3.3Å; D493-S495 PolarHBondContact O-N 3.42Å; D493-S495 WeakPolarHBondContact OD1-CA 3.37Å; D493-S495 WeakPolarHBondContact OD1-CB 3.26Å; D493-S495 PolarHBondContact OD1-N 2.72Å; D493-S495 PolarHBondContact OD1-OG 3.24Å; D493-V496 HydrophobicContact CB-CB 4.32Å; D493-V496 HydrophobicContact CB-CG2 4.26Å; D493-K523 WeakPolarHBondContact OD2-CE 3.42Å; D493-K523 IonicContact OD2-NZ 3.16Å; D493-K523 PolarHBondContact OD2-NZ 3.4Å
494	G	82.4	Confident	83.9	Confident	14 Å²	14	35.8 Å²	35.8	14%	0.144	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-12.7	177.2	0	0	0	0	0	114.9	T522 A527	G494-T522 WeakPolarHBondContact CA-O 3.45Å; G494-T522 PolarHBondContact N-O 3.5Å; G494-A527 VanDerWaalsContact O-CB 3.26Å; G494-A527 WeakPolarHBondContact O-CB 3.49Å
495	S	79.3	Confident	84.1	Confident	46 Å²	46	36.1 Å²	36.1	32%	0.322	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-4.7	178.7	71.8	0	0	0	0	114	D493	D493-S495 VanDerWaalsContact C-N 3.3Å; D493-S495 PolarHBondContact O-N 3.42Å; D493-S495 WeakPolarHBondContact OD1-CA 3.37Å; D493-S495 WeakPolarHBondContact OD1-CB 3.26Å; D493-S495 PolarHBondContact OD1-N 2.72Å; D493-S495 PolarHBondContact OD1-OG 3.24Å
496	V	77.7	Confident	84.4	Confident	77 Å²	77	34.6 Å²	34.6	47%	0.467	18%	0.178	S	C	.	.	S	Bend	trans	-118	151.3	-178	179.7	0	0	0	0	110	D493 A498	D493-V496 HydrophobicContact CB-CB 4.32Å; D493-V496 HydrophobicContact CB-CG2 4.26Å; V496-A498 PolarHBondContact O-N 2.89Å
497	D	73.4	Confident	84.5	Confident	81 Å²	81	34.5 Å²	34.5	43%	0.433	18%	0.178	S	C	.	.			trans	-55.8	112	176	-68.4	-36.4	0	0	0	111.5	E499 R500	D497-E499 PolarHBondContact O-N 2.85Å; D497-R500 HydrophobicContact CB-CG 3.87Å; D497-R500 WeakPolarHBondContact O-CB 3.42Å; D497-R500 PolarHBondContact O-N 2.83Å; D497-R500 IonicContact OD2-CZ 2.7Å; D497-R500 IonicContact OD2-NE 2.65Å; D497-R500 PolarHBondContact OD2-NE 2.67Å; D497-R500 IonicContact OD2-NH2 2.71Å; D497-R500 PolarHBondContact OD2-NH2 3.44Å
498	A	68.5	Low	84.3	Confident	4 Å²	4	35.9 Å²	35.9	3%	0.033	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-59.2	-19.3	-174.9	0	0	0	0	0	114.2	Q492 V496 R500 I540 L545 F546	Q492-A498 PolarHBondContact NE2-O 3.47Å; V496-A498 PolarHBondContact O-N 2.89Å; A498-R500 VanDerWaalsContact C-N 3.33Å; A498-I540 HydrophobicContact CB-CD1 4.02Å; A498-L545 HydrophobicContact CB-CD2 4.21Å; A498-F546 HydrophobicContact CB-CE1 4.29Å; A498-F546 HydrophobicContact CB-CE2 4.34Å; A498-F546 HydrophobicContact CB-CZ 3.54Å; A498-F546 WeakPolarHBondContact O-CE1 3.35Å; A498-F546 WeakPolarHBondContact O-CZ 3.4Å
499	E	73.5	Confident	84.1	Confident	139 Å²	139	41.9 Å²	41.9	65%	0.65	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-77.2	-9.2	175.4	-71.7	152.9	-129.3	0	0	114.2	D497 R536	D497-E499 PolarHBondContact O-N 2.85Å; E499-R536 IonicContact OE1-CZ 3.16Å; E499-R536 IonicContact OE1-NH1 2.72Å; E499-R536 PolarHBondContact OE1-NH1 2.9Å; E499-R536 IonicContact OE1-NH2 2.91Å; E499-R536 PolarHBondContact OE1-NH2 2.62Å
500	R	76.7	Confident	83.8	Confident	169 Å²	169	43.5 Å²	43.5	64%	0.638	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-90	-4.2	179.5	-59.7	-179.3	-167.3	-148	8.9	113.8	D497 A498	D497-R500 HydrophobicContact CB-CG 3.87Å; D497-R500 WeakPolarHBondContact O-CB 3.42Å; D497-R500 PolarHBondContact O-N 2.83Å; D497-R500 IonicContact OD2-CZ 2.7Å; D497-R500 IonicContact OD2-NE 2.65Å; D497-R500 PolarHBondContact OD2-NE 2.67Å; D497-R500 IonicContact OD2-NH2 2.71Å; D497-R500 PolarHBondContact OD2-NH2 3.44Å; A498-R500 VanDerWaalsContact C-N 3.33Å
501	S	79	Confident	83.7	Confident	9 Å²	9	43.9 Å²	43.9	6%	0.063	23%	0.225	C	C	.	.			trans	-79	131.7	-179.8	-171.8	0	0	0	0	111	D351 Q492 V503 T504	D351-S501 VanDerWaalsContact CG-OG 3.32Å; D351-S501 PolarHBondContact OD1-OG 3.25Å; D351-S501 WeakPolarHBondContact OD2-CB 3.27Å; D351-S501 PolarHBondContact OD2-OG 3.23Å; Q492-S501 VanDerWaalsContact NE2-CB 3.32Å; S501-V503 PolarHBondContact OG-N 3.38Å; S501-T504 PolarHBondContact O-OG1 2.92Å
502	I	83.6	Confident	83.5	Confident	58 Å²	58	47.5 Å²	47.5	30%	0.297	25%	0.249	S	C	.	.	S	Bend	trans	-86.4	-20.6	169.8	-63	-172.3	0	0	0	110.3	V457 N459 F474 D505 L506	V457-I502 HydrophobicContact CG1-CB 4.41Å; N459-I502 WeakPolarHBondContact OD1-CD1 3.32Å; N459-I502 WeakPolarHBondContact OD1-CG1 3.38Å; F474-I502 HydrophobicContact CE2-CG2 4.15Å; I502-D505 PolarHBondContact O-N 3.05Å; I502-L506 PolarHBondContact O-N 3.18Å; I502-L506 VanDerWaalsContact O-N 3.1Å
503	V	86.8	Confident	83.5	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-67.6	-37.9	-178	173.5	0	0	0	0	112.3	V349 V457 S501 D505 L506 V507	V349-V503 HydrophobicContact CB-CG1 4.3Å; V349-V503 HydrophobicContact CG1-CG1 3.76Å; V349-V503 HydrophobicContact CG1-CG2 4.32Å; V457-V503 HydrophobicContact CB-CG2 3.78Å; V457-V503 HydrophobicContact CG1-CG2 4.43Å; V457-V503 HydrophobicContact CG2-CG2 3.63Å; S501-V503 PolarHBondContact OG-N 3.38Å; V503-D505 VanDerWaalsContact C-N 3.29Å; V503-D505 PolarHBondContact O-N 3.1Å; V503-L506 PolarHBondContact O-N 2.95Å; V503-V507 HydrophobicContact CG1-CG2 3.9Å; V503-V507 WeakPolarHBondContact O-CB 3.44Å; V503-V507 VanDerWaalsContact O-CG2 3.28Å; V503-V507 WeakPolarHBondContact O-CG2 3.12Å; V503-V507 PolarHBondContact O-N 3.06Å
504	T	86.3	Confident	83.5	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-41	178.2	48.4	0	0	0	0	112.3	S501 S508 F546 M548	S501-T504 PolarHBondContact O-OG1 2.92Å; T504-S508 WeakPolarHBondContact O-CB 3.4Å; T504-S508 PolarHBondContact O-N 3.02Å; T504-F546 HydrophobicContact CG2-CE1 4.17Å; T504-F546 HydrophobicContact CG2-CE2 4.22Å; T504-F546 HydrophobicContact CG2-CZ 3.92Å; T504-M548 HydrophobicContact CG2-CE 3.85Å
505	D	85.8	Confident	83.7	Confident	92 Å²	92	60.2 Å²	60.2	49%	0.492	30%	0.297	S	S	.	.	H	α-helix	trans	-73.9	-37.6	178.2	-73.7	-0.2	0	0	0	112.3	I502 V503 S508 Q509	I502-D505 PolarHBondContact O-N 3.05Å; V503-D505 VanDerWaalsContact C-N 3.29Å; V503-D505 PolarHBondContact O-N 3.1Å; D505-S508 PolarHBondContact O-N 3.18Å; D505-Q509 WeakPolarHBondContact O-CG 3.47Å; D505-Q509 PolarHBondContact O-N 3.17Å; D505-Q509 VanDerWaalsContact O-N 3.15Å; D505-Q509 PolarHBondContact O-NE2 2.87Å
506	L	88.3	Confident	84.2	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-46.1	174.6	173.5	56.3	0	0	0	111.1	F474 M481 I502 V503 S508 Q509 M510	F474-L506 HydrophobicContact CD2-CD2 4.11Å; F474-L506 HydrophobicContact CE1-CD1 4.03Å; F474-L506 HydrophobicContact CE2-CB 4.41Å; F474-L506 HydrophobicContact CE2-CD1 4.26Å; F474-L506 HydrophobicContact CE2-CD2 3.8Å; F474-L506 HydrophobicContact CE2-CG 4.38Å; F474-L506 HydrophobicContact CZ-CB 4.46Å; F474-L506 HydrophobicContact CZ-CD1 3.71Å; F474-L506 HydrophobicContact CZ-CD2 4.11Å; F474-L506 HydrophobicContact CZ-CG 4.3Å; M481-L506 HydrophobicContact CE-CD1 4.33Å; M481-L506 HydrophobicContact CE-CD2 3.53Å; M481-L506 HydrophobicContact CE-CG 3.66Å; I502-L506 PolarHBondContact O-N 3.18Å; I502-L506 VanDerWaalsContact O-N 3.1Å; V503-L506 PolarHBondContact O-N 2.95Å; L506-S508 VanDerWaalsContact C-N 3.35Å; L506-S508 PolarHBondContact O-N 3.25Å; L506-Q509 WeakPolarHBondContact O-CB 3.38Å; L506-Q509 PolarHBondContact O-N 3.38Å; L506-Q509 VanDerWaalsContact O-N 3.15Å; L506-M510 HydrophobicContact CD1-CE 3.94Å; L506-M510 HydrophobicContact CD1-CG 4.35Å; L506-M510 WeakPolarHBondContact O-CG 3.41Å; L506-M510 PolarHBondContact O-N 3.26Å
507	V	90.3	Very high	85	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.4	-41.8	175.9	173.7	0	0	0	0	110.5	M481 I488 C490 V503 Q509 M510 D511 T517 M548	M481-V507 HydrophobicContact SD-CG2 3.92Å; I488-V507 HydrophobicContact CG2-CG1 4.14Å; I488-V507 HydrophobicContact CG2-CG2 3.9Å; C490-V507 HydrophobicContact CB-CG2 4.4Å; V503-V507 HydrophobicContact CG1-CG2 3.9Å; V503-V507 WeakPolarHBondContact O-CB 3.44Å; V503-V507 VanDerWaalsContact O-CG2 3.28Å; V503-V507 WeakPolarHBondContact O-CG2 3.12Å; V503-V507 PolarHBondContact O-N 3.06Å; V507-Q509 PolarHBondContact O-N 3.42Å; V507-Q509 VanDerWaalsContact O-N 3.16Å; V507-M510 PolarHBondContact O-N 2.88Å; V507-D511 PolarHBondContact O-N 3.27Å; V507-T517 HydrophobicContact CG1-CG2 3.61Å; V507-M548 HydrophobicContact CG1-CE 4.47Å; V507-M548 HydrophobicContact CG1-CG 4.06Å; V507-M548 HydrophobicContact CG1-SD 4.23Å
508	S	88.1	Confident	85.9	Confident	29 Å²	29	52 Å²	52	20%	0.203	25%	0.245	C	C	.	.	H	α-helix	trans	-62.7	-20.1	175.4	-163.2	0	0	0	0	114.3	T504 D505 L506 P512	T504-S508 WeakPolarHBondContact O-CB 3.4Å; T504-S508 PolarHBondContact O-N 3.02Å; D505-S508 PolarHBondContact O-N 3.18Å; L506-S508 VanDerWaalsContact C-N 3.35Å; L506-S508 PolarHBondContact O-N 3.25Å; S508-P512 WeakPolarHBondContact O-CG 3.47Å
509	Q	88.8	Confident	87	Confident	125 Å²	125	51.9 Å²	51.9	58%	0.584	24%	0.244	S	C	*	.	H	α-helix	trans	-85	-27.1	172.6	-71.7	164	64.9	0	0	112.8	D505 L506 V507	D505-Q509 WeakPolarHBondContact O-CG 3.47Å; D505-Q509 PolarHBondContact O-N 3.17Å; D505-Q509 VanDerWaalsContact O-N 3.15Å; D505-Q509 PolarHBondContact O-NE2 2.87Å; L506-Q509 WeakPolarHBondContact O-CB 3.38Å; L506-Q509 PolarHBondContact O-N 3.38Å; L506-Q509 VanDerWaalsContact O-N 3.15Å; V507-Q509 PolarHBondContact O-N 3.42Å; V507-Q509 VanDerWaalsContact O-N 3.16Å
510	M	89.6	Confident	87.9	Confident	35 Å²	35	45.2 Å²	45.2	17%	0.172	21%	0.213	C	C	.	.	H	α-helix	trans	-94.8	-25.1	-177.7	-58.1	-59.4	134.6	0	0	113.7	K478 M481 Q482 I488 L506 V507 R516	K478-M510 HydrophobicContact CD-CE 4.29Å; K478-M510 HydrophobicContact CG-CE 4.03Å; K478-M510 HydrophobicContact CG-SD 4.26Å; M481-M510 HydrophobicContact CB-CB 4.08Å; M481-M510 HydrophobicContact CB-CG 3.89Å; Q482-M510 HydrophobicContact CG-SD 3.92Å; I488-M510 HydrophobicContact CD1-CB 4.32Å; L506-M510 HydrophobicContact CD1-CE 3.94Å; L506-M510 HydrophobicContact CD1-CG 4.35Å; L506-M510 WeakPolarHBondContact O-CG 3.41Å; L506-M510 PolarHBondContact O-N 3.26Å; V507-M510 PolarHBondContact O-N 2.88Å; M510-R516 PolarHBondContact O-NH2 2.99Å
511	D	90.9	Very high	88.5	Confident	9 Å²	9	37.2 Å²	37.2	5%	0.048	18%	0.183	C	C	.	.			trans	-139.5	74.6	171.4	-178.3	14.6	0	0	0	111.3	I488 V507 H513 G514 R515 R516 T517	I488-D511 HydrophobicContact CD1-CB 4.4Å; V507-D511 PolarHBondContact O-N 3.27Å; D511-H513 PolarHBondContact O-N 3.4Å; D511-H513 PolarHBondContact OD1-N 3.45Å; D511-G514 VanDerWaalsContact CG-N 3.35Å; D511-G514 PolarHBondContact O-N 3.31Å; D511-G514 PolarHBondContact OD1-N 3.35Å; D511-G514 WeakPolarHBondContact OD2-CA 3.15Å; D511-R515 PolarHBondContact OD1-N 3.33Å; D511-R515 PolarHBondContact OD2-N 3.41Å; D511-R516 HydrophobicContact CB-CG 4.33Å; D511-R516 WeakPolarHBondContact OD2-CG 3.49Å; D511-R516 PolarHBondContact OD2-N 3.4Å; D511-T517 WeakPolarHBondContact CB-OG1 3.49Å; D511-T517 WeakPolarHBondContact OD2-CB 3.36Å; D511-T517 PolarHBondContact OD2-N 2.91Å; D511-T517 VanDerWaalsContact OD2-N 3.15Å; D511-T517 PolarHBondContact OD2-OG1 2.9Å
512	P	87.6	Confident	89.1	Confident	79 Å²	79	36.8 Å²	36.8	51%	0.513	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-3.3	179.2	-20.1	32	0	0	0	115	S508	S508-P512 WeakPolarHBondContact O-CG 3.47Å
513	H	88.6	Confident	89.3	Confident	119 Å²	119	36.5 Å²	36.5	55%	0.551	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-11.6	-179.6	-66.3	-27.1	0	0	0	113.4	D511 R515	D511-H513 PolarHBondContact O-N 3.4Å; D511-H513 PolarHBondContact OD1-N 3.45Å; H513-R515 VanDerWaalsContact C-N 3.29Å; H513-R515 HydrophobicContact CB-CG 3.85Å; H513-R515 PolarHBondContact O-N 3.07Å
514	G	87.5	Confident	89.2	Confident	5 Å²	5	36.5 Å²	36.5	5%	0.052	18%	0.176	C	C	.	.			trans	66.3	26.6	-176	0	0	0	0	0	114.3	D511 K549 A550 L551	D511-G514 VanDerWaalsContact CG-N 3.35Å; D511-G514 PolarHBondContact O-N 3.31Å; D511-G514 PolarHBondContact OD1-N 3.35Å; D511-G514 WeakPolarHBondContact OD2-CA 3.15Å; G514-K549 VanDerWaalsContact CA-C 3.5Å; G514-K549 WeakPolarHBondContact CA-O 3.29Å; G514-A550 CarbonylContact O-C 3.57Å; G514-L551 WeakPolarHBondContact O-CG 3.3Å; G514-L551 PolarHBondContact O-N 2.97Å
515	R	87.8	Confident	89.1	Confident	181 Å²	181	36.6 Å²	36.6	68%	0.683	18%	0.176	S	C	*	.	S	Bend	trans	-79	-16.1	-174.1	-72.8	-178.2	-175.7	170.6	3.2	114.3	D511 H513 L551	D511-R515 PolarHBondContact OD1-N 3.33Å; D511-R515 PolarHBondContact OD2-N 3.41Å; H513-R515 VanDerWaalsContact C-N 3.29Å; H513-R515 HydrophobicContact CB-CG 3.85Å; H513-R515 PolarHBondContact O-N 3.07Å; R515-L551 WeakPolarHBondContact O-CD1 3.45Å
516	R	90.5	Very high	89	Confident	28 Å²	28	35.4 Å²	35.4	11%	0.106	17%	0.17	C	C	.	.	S	Bend	trans	-139.7	7.5	-178.3	64.9	-164.6	178.1	104.6	-6.1	112.9	M481 N483 P484 A486 I487 I488 M510 D511	M481-R516 PolarHBondContact O-NH1 2.94Å; M481-R516 VanDerWaalsContact O-NH1 3.14Å; M481-R516 PolarHBondContact O-NH2 3.28Å; N483-R516 PolarHBondContact O-NH1 2.9Å; P484-R516 VanDerWaalsContact O-CD 3.23Å; P484-R516 WeakPolarHBondContact O-CD 3.35Å; A486-R516 WeakPolarHBondContact O-CD 3.42Å; A486-R516 PolarHBondContact O-NH1 3.38Å; I487-R516 CarbonylContact C-O 3.51Å; I487-R516 VanDerWaalsContact CA-O 3.32Å; I487-R516 WeakPolarHBondContact CA-O 3.26Å; I488-R516 PolarHBondContact N-O 2.78Å; M510-R516 PolarHBondContact O-NH2 2.99Å; D511-R516 HydrophobicContact CB-CG 4.33Å; D511-R516 WeakPolarHBondContact OD2-CG 3.49Å; D511-R516 PolarHBondContact OD2-N 3.4Å
517	T	92.6	Very high	88.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.9	179.7	-58.6	0	0	0	0	110.5	I488 C490 V507 D511 M548 A550 L551	I488-T517 CarbonylContact O-C 3.58Å; I488-T517 WeakPolarHBondContact O-CA 3.25Å; C490-T517 HydrophobicContact CB-CG2 4.33Å; V507-T517 HydrophobicContact CG1-CG2 3.61Å; D511-T517 WeakPolarHBondContact CB-OG1 3.49Å; D511-T517 WeakPolarHBondContact OD2-CB 3.36Å; D511-T517 PolarHBondContact OD2-N 2.91Å; D511-T517 VanDerWaalsContact OD2-N 3.15Å; D511-T517 PolarHBondContact OD2-OG1 2.9Å; T517-M548 HydrophobicContact CG2-SD 4.12Å; T517-A550 HydrophobicContact CG2-CB 4.18Å; T517-A550 CarbonylContact O-C 3.58Å; T517-A550 VanDerWaalsContact O-CA 3.31Å; T517-A550 WeakPolarHBondContact O-CA 3.47Å; T517-A550 WeakPolarHBondContact O-CB 3.38Å; T517-L551 PolarHBondContact O-N 3.12Å
518	I	92.9	Very high	87.8	Confident	5 Å²	5	37.6 Å²	37.6	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.9	170.1	-64.5	172.5	0	0	0	107.3	I487 I488 L489 C490 L551 F554 L599 V603 C606	I487-I518 HydrophobicContact CG2-CD1 4.1Å; I488-I518 PolarHBondContact O-N 2.78Å; L489-I518 HydrophobicContact CD1-CB 4.02Å; L489-I518 HydrophobicContact CD1-CG2 3.84Å; C490-I518 PolarHBondContact N-O 3.02Å; I518-L551 HydrophobicContact CG1-CB 4.46Å; I518-F554 HydrophobicContact CG2-CD2 3.78Å; I518-F554 HydrophobicContact CG2-CE2 3.84Å; I518-L599 HydrophobicContact CG2-CD1 4.06Å; I518-V603 HydrophobicContact CD1-CG2 3.82Å; I518-C606 HydrophobicContact CD1-CB 4.43Å
519	F	92.2	Very high	87.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.6	-177.5	-177.9	-90.4	0	0	0	111.3	C490 Q492 L521 I540 F546 M548 A550 G552 Y553 F554	C490-F519 HydrophobicContact CB-CD2 4.42Å; Q492-F519 HydrophobicContact CB-CE2 3.93Å; Q492-F519 HydrophobicContact CB-CZ 3.82Å; Q492-F519 VanDerWaalsContact OE1-CZ 3.27Å; F519-L521 HydrophobicContact CE1-CB 4.12Å; F519-L521 HydrophobicContact CE1-CD1 4.18Å; F519-L521 HydrophobicContact CZ-CD1 4.22Å; F519-I540 HydrophobicContact CD1-CG2 4.47Å; F519-I540 HydrophobicContact CE1-CG2 3.48Å; F519-I540 VanDerWaalsContact CE1-CG2 3.48Å; F519-I540 HydrophobicContact CZ-CG2 3.76Å; F519-F546 HydrophobicContact CE2-CE2 4.36Å; F519-F546 HydrophobicContact CZ-CE2 4.32Å; F519-M548 HydrophobicContact CD2-CE 3.96Å; F519-M548 HydrophobicContact CE2-CE 4.31Å; F519-A550 HydrophobicContact CB-CB 3.94Å; F519-G552 PolarHBondContact N-O 2.82Å; F519-Y553 HydrophobicContact CB-CD1 3.7Å; F519-Y553 HydrophobicContact CB-CE1 4Å; F519-Y553 HydrophobicContact CB-CG 4.28Å; F519-Y553 AromaticContact CD1-CD1 3.57Å; F519-Y553 HydrophobicContact CD1-CD1 3.57Å; F519-Y553 HydrophobicContact CD1-CE1 4.26Å; F519-Y553 HydrophobicContact CD1-CG 4.44Å; F519-Y553 HydrophobicContact CE1-CD1 4.41Å; F519-Y553 AromaticContact CG-CD1 3.78Å; F519-Y553 HydrophobicContact CG-CD1 3.78Å; F519-Y553 HydrophobicContact CG-CE1 4.11Å; F519-Y553 WeakPolarHBondContact O-CA 3.49Å; F519-F554 PolarHBondContact O-N 3.33Å
520	V	92.3	Very high	86.3	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.3	-177.8	-176.3	0	0	0	0	110.2	L489 C490 I491 Q492 T522 F554 V556 L599	L489-V520 HydrophobicContact CD1-CG2 3.59Å; L489-V520 HydrophobicContact CG-CG2 4.25Å; C490-V520 PolarHBondContact O-N 3.5Å; I491-V520 WeakPolarHBondContact CA-O 3.32Å; I491-V520 HydrophobicContact CG1-CB 4.19Å; Q492-V520 PolarHBondContact N-O 3.46Å; V520-T522 HydrophobicContact CG1-CG2 4.43Å; V520-F554 WeakPolarHBondContact CA-O 3.5Å; V520-V556 HydrophobicContact CG1-CG1 4.3Å; V520-V556 HydrophobicContact CG1-CG2 3.54Å; V520-L599 HydrophobicContact CG1-CD2 3.9Å; V520-L599 HydrophobicContact CG2-CD1 3.7Å; V520-L599 HydrophobicContact CG2-CD2 3.74Å; V520-L599 HydrophobicContact CG2-CG 4.39Å
521	L	89.9	Confident	84.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.8	173.8	-160.9	67.6	0	0	0	110	Q492 F519 V524 I537 I540 I541 F554 V556	Q492-L521 HydrophobicContact CB-CD1 4.47Å; Q492-L521 WeakPolarHBondContact O-CA 3.3Å; F519-L521 HydrophobicContact CE1-CB 4.12Å; F519-L521 HydrophobicContact CE1-CD1 4.18Å; F519-L521 HydrophobicContact CZ-CD1 4.22Å; L521-V524 HydrophobicContact CB-CG2 4.26Å; L521-V524 HydrophobicContact CD2-CG2 4.14Å; L521-V524 HydrophobicContact CG-CG2 4.09Å; L521-V524 WeakPolarHBondContact O-CG2 3.44Å; L521-I537 HydrophobicContact CD2-CG2 4.14Å; L521-I540 HydrophobicContact CD1-CG2 4.31Å; L521-I540 HydrophobicContact CD2-CG2 4.4Å; L521-I541 HydrophobicContact CD2-CD1 4.01Å; L521-I541 HydrophobicContact CD2-CG1 4.42Å; L521-F554 PolarHBondContact N-O 2.84Å; L521-V556 PolarHBondContact O-N 3.33Å
522	T	90.8	Very high	83	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	168.7	178.4	72.4	0	0	0	0	111.6	A354 V359 I491 Q492 G494 V520 V524 V556	A354-T522 PolarHBondContact O-OG1 3.11Å; V359-T522 HydrophobicContact CG2-CG2 3.75Å; I491-T522 HydrophobicContact CG2-CG2 3.54Å; Q492-T522 PolarHBondContact O-N 2.8Å; Q492-T522 PolarHBondContact O-OG1 3.24Å; G494-T522 WeakPolarHBondContact CA-O 3.45Å; G494-T522 PolarHBondContact N-O 3.5Å; V520-T522 HydrophobicContact CG1-CG2 4.43Å; T522-V524 PolarHBondContact O-N 3.23Å; T522-V524 VanDerWaalsContact O-N 3.14Å; T522-V556 HydrophobicContact CG2-CG2 4Å
523	K	87.6	Confident	81.7	Confident	52 Å²	52	45.9 Å²	45.9	23%	0.226	23%	0.233	C	C	.	.			trans	55.2	31.9	175.9	-50.4	-176.3	-157.9	164.7	0	113.9	S353 D493 D525 L526 A527	S353-K523 PolarHBondContact O-NZ 3.44Å; D493-K523 WeakPolarHBondContact OD2-CE 3.42Å; D493-K523 IonicContact OD2-NZ 3.16Å; D493-K523 PolarHBondContact OD2-NZ 3.4Å; K523-D525 PolarHBondContact O-N 3.44Å; K523-L526 HydrophobicContact CB-CB 4.48Å; K523-L526 HydrophobicContact CB-CD1 4.27Å; K523-L526 HydrophobicContact CB-CG 4.49Å; K523-L526 HydrophobicContact CD-CD1 4.3Å; K523-L526 PolarHBondContact O-N 3.43Å; K523-A527 PolarHBondContact O-N 2.92Å; K523-A527 VanDerWaalsContact O-N 3.14Å
524	V	84.9	Confident	80.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.5	-26.3	-178.2	-175.4	0	0	0	0	111.5	L521 T522 A527 E528 A555 L583	L521-V524 HydrophobicContact CB-CG2 4.26Å; L521-V524 HydrophobicContact CD2-CG2 4.14Å; L521-V524 HydrophobicContact CG-CG2 4.09Å; L521-V524 WeakPolarHBondContact O-CG2 3.44Å; T522-V524 PolarHBondContact O-N 3.23Å; T522-V524 VanDerWaalsContact O-N 3.14Å; V524-A527 WeakPolarHBondContact O-CB 3.2Å; V524-A527 PolarHBondContact O-N 2.92Å; V524-E528 PolarHBondContact O-N 2.88Å; V524-A555 HydrophobicContact CG2-CB 4.1Å; V524-L583 HydrophobicContact CG1-CD1 3.88Å
525	D	84.6	Confident	80.1	Confident	7 Å²	7	46 Å²	46	4%	0.037	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-40.2	172.2	73.9	-62.7	0	0	0	112.5	K523 K529 V557 F577	K523-D525 PolarHBondContact O-N 3.44Å; D525-K529 WeakPolarHBondContact O-CB 3.39Å; D525-K529 WeakPolarHBondContact O-CD 3.48Å; D525-K529 WeakPolarHBondContact O-CE 3.35Å; D525-K529 WeakPolarHBondContact O-CG 3.41Å; D525-K529 PolarHBondContact O-N 3.16Å; D525-K529 IonicContact OD2-NZ 2.67Å; D525-K529 PolarHBondContact OD2-NZ 3.02Å; D525-V557 HydrophobicContact CB-CG1 4.21Å; D525-V557 HydrophobicContact CB-CG2 4.22Å; D525-F577 HydrophobicContact CB-CD2 3.98Å; D525-F577 HydrophobicContact CB-CE1 4.38Å; D525-F577 HydrophobicContact CB-CE2 3.72Å; D525-F577 HydrophobicContact CB-CG 4.42Å; D525-F577 HydrophobicContact CB-CZ 3.95Å
526	L	82.6	Confident	79.6	Confident	68 Å²	68	40.3 Å²	40.3	36%	0.356	22%	0.223	S	C	.	.	H	α-helix	trans	-70.7	-37.4	174.4	-62.2	-176.9	0	0	0	110.9	K523 K529 N530	K523-L526 HydrophobicContact CB-CB 4.48Å; K523-L526 HydrophobicContact CB-CD1 4.27Å; K523-L526 HydrophobicContact CB-CG 4.49Å; K523-L526 HydrophobicContact CD-CD1 4.3Å; K523-L526 PolarHBondContact O-N 3.43Å; L526-K529 HydrophobicContact CD2-CD 4.33Å; L526-K529 PolarHBondContact O-N 2.92Å; L526-N530 VanDerWaalsContact O-CB 3.24Å; L526-N530 WeakPolarHBondContact O-CB 3.5Å; L526-N530 PolarHBondContact O-N 2.98Å; L526-N530 PolarHBondContact O-ND2 2.81Å
527	A	78.4	Confident	79	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-61.2	-44.6	175.2	0	0	0	0	0	112.1	G494 K523 V524 A532 I537	G494-A527 VanDerWaalsContact O-CB 3.26Å; G494-A527 WeakPolarHBondContact O-CB 3.49Å; K523-A527 PolarHBondContact O-N 2.92Å; K523-A527 VanDerWaalsContact O-N 3.14Å; V524-A527 WeakPolarHBondContact O-CB 3.2Å; V524-A527 PolarHBondContact O-N 2.92Å; A527-A532 PolarHBondContact O-N 3.32Å; A527-I537 HydrophobicContact CB-CD1 3.81Å
528	E	76.8	Confident	78.3	Confident	45 Å²	45	42.1 Å²	42.1	21%	0.21	23%	0.233	C	C	.	.	H	α-helix	trans	-68.3	-38.4	176.4	-171	174.9	169.8	0	0	112.3	V524 F577 S581 K582 L583	V524-E528 PolarHBondContact O-N 2.88Å; E528-F577 WeakPolarHBondContact OE2-CZ 3.48Å; E528-S581 WeakPolarHBondContact OE2-CB 3.42Å; E528-S581 PolarHBondContact OE2-OG 2.7Å; E528-K582 VanDerWaalsContact OE1-CB 3.3Å; E528-K582 WeakPolarHBondContact OE1-CB 3.22Å; E528-K582 WeakPolarHBondContact OE1-CG 3.14Å; E528-K582 PolarHBondContact OE1-N 3.36Å; E528-L583 HydrophobicContact CB-CD1 4.35Å; E528-L583 HydrophobicContact CG-CG 4.49Å
529	K	76.4	Confident	77.7	Confident	110 Å²	110	46.1 Å²	46.1	48%	0.478	25%	0.251	S	S	.	.	H	α-helix	trans	-66.6	-41.1	176.6	-71.3	159.9	-163.4	168.2	0	112.8	D525 L526 V531 Y573	D525-K529 WeakPolarHBondContact O-CB 3.39Å; D525-K529 WeakPolarHBondContact O-CD 3.48Å; D525-K529 WeakPolarHBondContact O-CE 3.35Å; D525-K529 WeakPolarHBondContact O-CG 3.41Å; D525-K529 PolarHBondContact O-N 3.16Å; D525-K529 IonicContact OD2-NZ 2.67Å; D525-K529 PolarHBondContact OD2-NZ 3.02Å; L526-K529 HydrophobicContact CD2-CD 4.33Å; L526-K529 PolarHBondContact O-N 2.92Å; K529-V531 PolarHBondContact O-N 2.9Å; K529-Y573 PolarHBondContact NZ-OH 3.09Å
530	N	68.8	Low	77.2	Confident	112 Å²	112	46.5 Å²	46.5	60%	0.599	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	5.2	-172.8	-68.1	-14.5	0	0	0	114.3	L526 A532	L526-N530 VanDerWaalsContact O-CB 3.24Å; L526-N530 WeakPolarHBondContact O-CB 3.5Å; L526-N530 PolarHBondContact O-N 2.98Å; L526-N530 PolarHBondContact O-ND2 2.81Å; N530-A532 PolarHBondContact O-N 2.94Å
531	V	56.2	Low	76.7	Confident	126 Å²	126	46.9 Å²	46.9	76%	0.764	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	30	-180	-157.7	0	0	0	0	112.6	K529 S533	K529-V531 PolarHBondContact O-N 2.9Å; V531-S533 PolarHBondContact O-N 2.91Å
532	A	54.8	Low	76.3	Confident	46 Å²	46	50.8 Å²	50.8	38%	0.38	27%	0.274	S	S	.	.			trans	-62.3	128.7	162.9	0	0	0	0	0	108.1	A527 N530 P534	A527-A532 PolarHBondContact O-N 3.32Å; N530-A532 PolarHBondContact O-N 2.94Å; A532-P534 WeakPolarHBondContact O-CD 3.38Å; A532-P534 VanDerWaalsContact O-N 3.13Å
533	S	60	Low	75.8	Confident	58 Å²	58	51.8 Å²	51.8	41%	0.406	28%	0.284	S	S	.	.			trans	-51.8	117.3	-166	54.5	0	0	0	0	112.6	V531 S535 R536	V531-S533 PolarHBondContact O-N 2.91Å; S533-S535 PolarHBondContact O-N 3.13Å; S533-S535 VanDerWaalsContact O-N 3.11Å; S533-R536 WeakPolarHBondContact O-CB 3.4Å; S533-R536 PolarHBondContact O-N 2.9Å; S533-R536 VanDerWaalsContact OG-CB 3.29Å; S533-R536 WeakPolarHBondContact OG-CB 3.32Å
534	P	69.5	Low	75.5	Confident	62 Å²	62	56.3 Å²	56.3	40%	0.403	30%	0.303	S	S	.	.	H	α-helix	trans	-56.5	-31.9	-176.3	-30.8	37.4	0	0	0	114.3	A532 R536 I537 Q538 L583 M588	A532-P534 WeakPolarHBondContact O-CD 3.38Å; A532-P534 VanDerWaalsContact O-N 3.13Å; P534-R536 VanDerWaalsContact C-N 3.26Å; P534-R536 PolarHBondContact O-N 3.28Å; P534-I537 PolarHBondContact O-N 2.71Å; P534-Q538 PolarHBondContact O-N 2.82Å; P534-L583 HydrophobicContact CB-CD2 3.91Å; P534-M588 HydrophobicContact CB-CE 4.1Å; P534-M588 HydrophobicContact CB-SD 4.23Å
535	S	73.4	Confident	75.3	Confident	63 Å²	63	58.5 Å²	58.5	44%	0.441	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-30.4	172.9	47.9	0	0	0	0	113.9	S533 Q539	S533-S535 PolarHBondContact O-N 3.13Å; S533-S535 VanDerWaalsContact O-N 3.11Å; S535-Q539 VanDerWaalsContact O-CG 3.25Å; S535-Q539 WeakPolarHBondContact O-CG 3.24Å; S535-Q539 PolarHBondContact O-N 2.73Å
536	R	75.9	Confident	75	Confident	63 Å²	63	59.4 Å²	59.4	24%	0.238	32%	0.318	C	S	.	.	H	α-helix	trans	-75.7	-39.8	175.5	-175.2	178.6	172	101.4	0.4	111.6	E499 S533 P534 Q538 Q539 I540 L545	E499-R536 IonicContact OE1-CZ 3.16Å; E499-R536 IonicContact OE1-NH1 2.72Å; E499-R536 PolarHBondContact OE1-NH1 2.9Å; E499-R536 IonicContact OE1-NH2 2.91Å; E499-R536 PolarHBondContact OE1-NH2 2.62Å; S533-R536 WeakPolarHBondContact O-CB 3.4Å; S533-R536 PolarHBondContact O-N 2.9Å; S533-R536 VanDerWaalsContact OG-CB 3.29Å; S533-R536 WeakPolarHBondContact OG-CB 3.32Å; P534-R536 VanDerWaalsContact C-N 3.26Å; P534-R536 PolarHBondContact O-N 3.28Å; R536-Q538 VanDerWaalsContact C-N 3.29Å; R536-Q538 PolarHBondContact O-N 2.79Å; R536-Q539 PolarHBondContact O-N 3.03Å; R536-I540 HydrophobicContact CG-CD1 4.44Å; R536-I540 WeakPolarHBondContact O-CG1 3.37Å; R536-I540 PolarHBondContact O-N 2.71Å; R536-L545 HydrophobicContact CG-CD2 4.21Å
537	I	77.8	Confident	74.6	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.051	33%	0.332	C	S	.	.	H	α-helix	trans	-60.9	-43.2	173.1	-58.8	174.8	0	0	0	109.6	L521 A527 P534 I540 I541 L583	L521-I537 HydrophobicContact CD2-CG2 4.14Å; A527-I537 HydrophobicContact CB-CD1 3.81Å; P534-I537 PolarHBondContact O-N 2.71Å; I537-I540 PolarHBondContact O-N 3.12Å; I537-I541 HydrophobicContact CG2-CD1 3.99Å; I537-I541 PolarHBondContact O-N 2.86Å; I537-I541 VanDerWaalsContact O-N 3.11Å; I537-L583 HydrophobicContact CD1-CD1 4.3Å; I537-L583 HydrophobicContact CG2-CD1 4.41Å
538	Q	77.9	Confident	74.8	Confident	56 Å²	56	60.9 Å²	60.9	26%	0.262	33%	0.332	S	S	.	.	H	α-helix	trans	-59.3	-48.2	171.6	-176.1	-178.7	-1.2	0	0	111.9	P534 R536 I540 I541 E542 M588	P534-Q538 PolarHBondContact O-N 2.82Å; R536-Q538 VanDerWaalsContact C-N 3.29Å; R536-Q538 PolarHBondContact O-N 2.79Å; Q538-I540 VanDerWaalsContact C-N 3.28Å; Q538-I540 PolarHBondContact O-N 2.61Å; Q538-I541 PolarHBondContact O-N 3.47Å; Q538-E542 HydrophobicContact CG-CG 4.1Å; Q538-E542 WeakPolarHBondContact CG-OE1 3.34Å; Q538-E542 PolarHBondContact NE2-OE1 3.37Å; Q538-E542 WeakPolarHBondContact O-CB 3.44Å; Q538-E542 WeakPolarHBondContact O-CG 3.05Å; Q538-E542 PolarHBondContact O-N 3.17Å; Q538-M588 HydrophobicContact CB-CE 4.48Å
539	Q	80.7	Confident	75.2	Confident	89 Å²	89	64.6 Å²	64.6	42%	0.416	35%	0.347	S	S	.	.	H	α-helix	trans	-61.8	-30.9	178.2	-76.7	169.4	-3.4	0	0	113.9	S535 R536 G543 K544 L545	S535-Q539 VanDerWaalsContact O-CG 3.25Å; S535-Q539 WeakPolarHBondContact O-CG 3.24Å; S535-Q539 PolarHBondContact O-N 2.73Å; R536-Q539 PolarHBondContact O-N 3.03Å; Q539-G543 PolarHBondContact O-N 3.41Å; Q539-K544 PolarHBondContact O-N 3.13Å; Q539-L545 HydrophobicContact CB-CB 4.27Å; Q539-L545 PolarHBondContact O-N 2.63Å
540	I	82.9	Confident	75.7	Confident	8 Å²	8	60.2 Å²	60.2	4%	0.041	33%	0.332	C	S	.	.	H	α-helix	trans	-67.4	-49.7	172.6	-68.8	164.4	0	0	0	110.1	A498 F519 L521 R536 I537 Q538 G543 L545 F546 Y553	A498-I540 HydrophobicContact CB-CD1 4.02Å; F519-I540 HydrophobicContact CD1-CG2 4.47Å; F519-I540 HydrophobicContact CE1-CG2 3.48Å; F519-I540 VanDerWaalsContact CE1-CG2 3.48Å; F519-I540 HydrophobicContact CZ-CG2 3.76Å; L521-I540 HydrophobicContact CD1-CG2 4.31Å; L521-I540 HydrophobicContact CD2-CG2 4.4Å; R536-I540 HydrophobicContact CG-CD1 4.44Å; R536-I540 WeakPolarHBondContact O-CG1 3.37Å; R536-I540 PolarHBondContact O-N 2.71Å; I537-I540 PolarHBondContact O-N 3.12Å; Q538-I540 VanDerWaalsContact C-N 3.28Å; Q538-I540 PolarHBondContact O-N 2.61Å; I540-G543 PolarHBondContact O-N 3.22Å; I540-L545 HydrophobicContact CD1-CD2 3.95Å; I540-L545 HydrophobicContact CG1-CB 4.09Å; I540-L545 HydrophobicContact CG1-CD2 3.45Å; I540-L545 VanDerWaalsContact CG1-CD2 3.45Å; I540-L545 HydrophobicContact CG1-CG 4.4Å; I540-F546 HydrophobicContact CG2-CE2 4.47Å; I540-Y553 VanDerWaalsContact O-CD1 3.28Å; I540-Y553 WeakPolarHBondContact O-CD1 3.43Å
541	I	81.1	Confident	76.5	Confident	7 Å²	7	59.4 Å²	59.4	4%	0.036	33%	0.327	C	S	.	.	H	α-helix	trans	-80.9	-17.5	-172.5	-66.8	168.5	0	0	0	112.8	L521 I537 Q538 G543 Y553 A555 L589	L521-I541 HydrophobicContact CD2-CD1 4.01Å; L521-I541 HydrophobicContact CD2-CG1 4.42Å; I537-I541 HydrophobicContact CG2-CD1 3.99Å; I537-I541 PolarHBondContact O-N 2.86Å; I537-I541 VanDerWaalsContact O-N 3.11Å; Q538-I541 PolarHBondContact O-N 3.47Å; I541-G543 VanDerWaalsContact C-N 3.28Å; I541-Y553 WeakPolarHBondContact O-CB 3.48Å; I541-A555 HydrophobicContact CD1-CB 4.01Å; I541-L589 HydrophobicContact CB-CD2 4.38Å; I541-L589 HydrophobicContact CD1-CD2 3.5Å; I541-L589 HydrophobicContact CG2-CD2 3.96Å
542	E	81.3	Confident	78	Confident	84 Å²	84	54.2 Å²	54.2	39%	0.393	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-2.7	163.5	-70.2	-176.5	174.5	0	0	113.4	Q538 K544	Q538-E542 HydrophobicContact CG-CG 4.1Å; Q538-E542 WeakPolarHBondContact CG-OE1 3.34Å; Q538-E542 PolarHBondContact NE2-OE1 3.37Å; Q538-E542 WeakPolarHBondContact O-CB 3.44Å; Q538-E542 WeakPolarHBondContact O-CG 3.05Å; Q538-E542 PolarHBondContact O-N 3.17Å; E542-K544 VanDerWaalsContact C-N 3.3Å; E542-K544 HydrophobicContact CB-CD 4.1Å; E542-K544 HydrophobicContact CB-CG 4.12Å; E542-K544 PolarHBondContact O-N 2.95Å; E542-K544 WeakPolarHBondContact OE2-CD 3.3Å; E542-K544 WeakPolarHBondContact OE2-CE 3.44Å; E542-K544 IonicContact OE2-NZ 3.17Å; E542-K544 PolarHBondContact OE2-NZ 2.67Å
543	G	79.9	Confident	79.7	Confident	21 Å²	21	53.2 Å²	53.2	22%	0.216	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	67	25.9	-179.1	0	0	0	0	0	114.5	Q539 I540 I541 Y553	Q539-G543 PolarHBondContact O-N 3.41Å; I540-G543 PolarHBondContact O-N 3.22Å; I541-G543 VanDerWaalsContact C-N 3.28Å; G543-Y553 VanDerWaalsContact CA-CZ 3.44Å
544	K	82.3	Confident	81.2	Confident	146 Å²	146	51.2 Å²	51.2	64%	0.635	27%	0.27	S	S	*	.			trans	-101.7	-23	-175.7	-68.1	177.8	-174.8	165.3	0	114.4	Q539 E542	Q539-K544 PolarHBondContact O-N 3.13Å; E542-K544 VanDerWaalsContact C-N 3.3Å; E542-K544 HydrophobicContact CB-CD 4.1Å; E542-K544 HydrophobicContact CB-CG 4.12Å; E542-K544 PolarHBondContact O-N 2.95Å; E542-K544 WeakPolarHBondContact OE2-CD 3.3Å; E542-K544 WeakPolarHBondContact OE2-CE 3.44Å; E542-K544 IonicContact OE2-NZ 3.17Å; E542-K544 PolarHBondContact OE2-NZ 2.67Å
545	L	79.7	Confident	82.1	Confident	47 Å²	47	48.3 Å²	48.3	25%	0.246	25%	0.25	C	S	.	.	S	Bend	trans	-72.5	-31	-179.2	-167.4	72	0	0	0	112.5	A498 R536 Q539 I540	A498-L545 HydrophobicContact CB-CD2 4.21Å; R536-L545 HydrophobicContact CG-CD2 4.21Å; Q539-L545 HydrophobicContact CB-CB 4.27Å; Q539-L545 PolarHBondContact O-N 2.63Å; I540-L545 HydrophobicContact CD1-CD2 3.95Å; I540-L545 HydrophobicContact CG1-CB 4.09Å; I540-L545 HydrophobicContact CG1-CD2 3.45Å; I540-L545 VanDerWaalsContact CG1-CD2 3.45Å; I540-L545 HydrophobicContact CG1-CG 4.4Å
546	F	77.6	Confident	83	Confident	25 Å²	25	45.3 Å²	45.3	11%	0.11	23%	0.229	C	C	.	.			trans	-112.9	153.3	-171.6	-66.1	-58.5	0	0	0	112.9	Q492 A498 T504 F519 I540 M548	Q492-F546 VanDerWaalsContact OE1-CE2 3.3Å; Q492-F546 VanDerWaalsContact OE1-CZ 3.31Å; A498-F546 HydrophobicContact CB-CE1 4.29Å; A498-F546 HydrophobicContact CB-CE2 4.34Å; A498-F546 HydrophobicContact CB-CZ 3.54Å; A498-F546 WeakPolarHBondContact O-CE1 3.35Å; A498-F546 WeakPolarHBondContact O-CZ 3.4Å; T504-F546 HydrophobicContact CG2-CE1 4.17Å; T504-F546 HydrophobicContact CG2-CE2 4.22Å; T504-F546 HydrophobicContact CG2-CZ 3.92Å; F519-F546 HydrophobicContact CE2-CE2 4.36Å; F519-F546 HydrophobicContact CZ-CE2 4.32Å; I540-F546 HydrophobicContact CG2-CE2 4.47Å; F546-M548 HydrophobicContact CB-CB 4.34Å
547	P	75.8	Confident	83.6	Confident	98 Å²	98	42.3 Å²	42.3	64%	0.636	22%	0.218	S	C	*	.	S	Bend	trans	-70.1	-23.7	166.5	30.7	-35	0	0	0	112.3
548	M	82.8	Confident	83.9	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	22%	0.221	C	C	.	.			trans	-70.6	131	178.1	-175.1	-106.8	-73.7	0	0	111.4	T504 V507 T517 F519 F546 Y553	T504-M548 HydrophobicContact CG2-CE 3.85Å; V507-M548 HydrophobicContact CG1-CE 4.47Å; V507-M548 HydrophobicContact CG1-CG 4.06Å; V507-M548 HydrophobicContact CG1-SD 4.23Å; T517-M548 HydrophobicContact CG2-SD 4.12Å; F519-M548 HydrophobicContact CD2-CE 3.96Å; F519-M548 HydrophobicContact CE2-CE 4.31Å; F546-M548 HydrophobicContact CB-CB 4.34Å; M548-Y553 PolarHBondContact O-OH 3.4Å
549	K	84.9	Confident	84.1	Confident	123 Å²	123	40.7 Å²	40.7	54%	0.535	22%	0.215	S	C	.	.			trans	-105.9	152.9	179	-64.5	177	-176.3	177.4	0	110.1	G514 Y553	G514-K549 VanDerWaalsContact CA-C 3.5Å; G514-K549 WeakPolarHBondContact CA-O 3.29Å; K549-Y553 WeakPolarHBondContact CA-OH 3.2Å
550	A	86.8	Confident	83.6	Confident	18 Å²	18	41.7 Å²	41.7	15%	0.149	22%	0.218	C	C	.	.			trans	-138.5	154.9	173.5	0	0	0	0	0	111.1	G514 T517 F519 G552 Y553	G514-A550 CarbonylContact O-C 3.57Å; T517-A550 HydrophobicContact CG2-CB 4.18Å; T517-A550 CarbonylContact O-C 3.58Å; T517-A550 VanDerWaalsContact O-CA 3.31Å; T517-A550 WeakPolarHBondContact O-CA 3.47Å; T517-A550 WeakPolarHBondContact O-CB 3.38Å; F519-A550 HydrophobicContact CB-CB 3.94Å; A550-G552 PolarHBondContact O-N 3.01Å; A550-Y553 HydrophobicContact CB-CD2 4.35Å; A550-Y553 HydrophobicContact CB-CE1 4.3Å; A550-Y553 HydrophobicContact CB-CE2 3.85Å; A550-Y553 PolarHBondContact N-OH 2.9Å
551	L	85.9	Confident	82.8	Confident	95 Å²	95	45 Å²	45	50%	0.497	25%	0.254	S	S	.	.	S	Bend	trans	-60.9	-32.8	170.7	-68.8	177.8	0	0	0	112.1	G514 R515 T517 I518	G514-L551 WeakPolarHBondContact O-CG 3.3Å; G514-L551 PolarHBondContact O-N 2.97Å; R515-L551 WeakPolarHBondContact O-CD1 3.45Å; T517-L551 PolarHBondContact O-N 3.12Å; I518-L551 HydrophobicContact CG1-CB 4.46Å
552	G	87.2	Confident	82.1	Confident	17 Å²	17	49.1 Å²	49.1	18%	0.175	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	148.4	179.7	0	0	0	0	0	111.3	F519 A550	F519-G552 PolarHBondContact N-O 2.82Å; A550-G552 PolarHBondContact O-N 3.01Å
553	Y	89.9	Confident	81.3	Confident	26 Å²	26	49.7 Å²	49.7	10%	0.102	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121	177	-65	-102.4	0	0	0	107.9	F519 I540 I541 G543 M548 K549 A550 Q593	F519-Y553 HydrophobicContact CB-CD1 3.7Å; F519-Y553 HydrophobicContact CB-CE1 4Å; F519-Y553 HydrophobicContact CB-CG 4.28Å; F519-Y553 AromaticContact CD1-CD1 3.57Å; F519-Y553 HydrophobicContact CD1-CD1 3.57Å; F519-Y553 HydrophobicContact CD1-CE1 4.26Å; F519-Y553 HydrophobicContact CD1-CG 4.44Å; F519-Y553 HydrophobicContact CE1-CD1 4.41Å; F519-Y553 AromaticContact CG-CD1 3.78Å; F519-Y553 HydrophobicContact CG-CD1 3.78Å; F519-Y553 HydrophobicContact CG-CE1 4.11Å; F519-Y553 WeakPolarHBondContact O-CA 3.49Å; I540-Y553 VanDerWaalsContact O-CD1 3.28Å; I540-Y553 WeakPolarHBondContact O-CD1 3.43Å; I541-Y553 WeakPolarHBondContact O-CB 3.48Å; G543-Y553 VanDerWaalsContact CA-CZ 3.44Å; M548-Y553 PolarHBondContact O-OH 3.4Å; K549-Y553 WeakPolarHBondContact CA-OH 3.2Å; A550-Y553 HydrophobicContact CB-CD2 4.35Å; A550-Y553 HydrophobicContact CB-CE1 4.3Å; A550-Y553 HydrophobicContact CB-CE2 3.85Å; A550-Y553 PolarHBondContact N-OH 2.9Å; Y553-Q593 WeakPolarHBondContact O-CB 3.19Å; Y553-Q593 PolarHBondContact O-NE2 2.68Å
554	F	91.4	Very high	80.7	Confident	16 Å²	16	54 Å²	54	7%	0.07	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	151.7	-175.6	-66.3	-92.8	0	0	0	111.9	I518 F519 V520 L521 H592 Q593 L599 A602	I518-F554 HydrophobicContact CG2-CD2 3.78Å; I518-F554 HydrophobicContact CG2-CE2 3.84Å; F519-F554 PolarHBondContact O-N 3.33Å; V520-F554 WeakPolarHBondContact CA-O 3.5Å; L521-F554 PolarHBondContact N-O 2.84Å; F554-H592 WeakPolarHBondContact CE1-O 3.3Å; F554-Q593 CarbonylContact C-O 3.52Å; F554-Q593 VanDerWaalsContact CA-O 3.25Å; F554-Q593 WeakPolarHBondContact CA-O 3.31Å; F554-L599 HydrophobicContact CB-CD1 4.07Å; F554-L599 HydrophobicContact CD1-CB 4.12Å; F554-L599 HydrophobicContact CD1-CD1 4.3Å; F554-L599 HydrophobicContact CD2-CD1 3.69Å; F554-L599 HydrophobicContact CE2-CD1 4.2Å; F554-L599 HydrophobicContact CG-CB 4.3Å; F554-L599 HydrophobicContact CG-CD1 3.76Å; F554-A602 HydrophobicContact CE1-CB 4.13Å; F554-A602 HydrophobicContact CE2-CB 4.31Å; F554-A602 HydrophobicContact CZ-CB 3.49Å; F554-A602 VanDerWaalsContact CZ-CB 3.49Å
555	A	89.6	Confident	80.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.3	175.2	0	0	0	0	0	110.1	V524 I541 F578 Q593 V594 T595	V524-A555 HydrophobicContact CG2-CB 4.1Å; I541-A555 HydrophobicContact CD1-CB 4.01Å; A555-F578 HydrophobicContact CB-CE1 4.28Å; A555-F578 HydrophobicContact CB-CZ 4.12Å; A555-F578 VanDerWaalsContact O-CZ 3.25Å; A555-F578 WeakPolarHBondContact O-CZ 3.2Å; A555-Q593 PolarHBondContact N-O 3.18Å; A555-V594 HydrophobicContact CB-CG1 4.37Å; A555-V594 WeakPolarHBondContact O-CA 3.39Å; A555-T595 PolarHBondContact O-N 3.35Å
556	V	90.8	Very high	80.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	30%	0.301	C	S	.	.			trans	-137.8	154.7	-175	-59.4	0	0	0	0	112.6	V359 V520 L521 T522 T558 E574 L599	V359-V556 HydrophobicContact CG2-CG2 4.17Å; V520-V556 HydrophobicContact CG1-CG1 4.3Å; V520-V556 HydrophobicContact CG1-CG2 3.54Å; L521-V556 PolarHBondContact O-N 3.33Å; T522-V556 HydrophobicContact CG2-CG2 4Å; V556-T558 HydrophobicContact CG2-CG2 4.41Å; V556-E574 VanDerWaalsContact CA-OE1 3.26Å; V556-E574 WeakPolarHBondContact CA-OE1 3.34Å; V556-E574 WeakPolarHBondContact CB-OE1 3.33Å; V556-L599 HydrophobicContact CG1-CD2 4.02Å
557	V	89	Confident	80.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	30%	0.299	C	S	.	.			trans	-128.9	108	179.2	178.8	0	0	0	0	109.7	D525 G559 Y573 E574 F577 F578	D525-V557 HydrophobicContact CB-CG1 4.21Å; D525-V557 HydrophobicContact CB-CG2 4.22Å; V557-G559 PolarHBondContact O-N 3.29Å; V557-Y573 HydrophobicContact CG1-CD1 4.14Å; V557-Y573 HydrophobicContact CG1-CE1 3.93Å; V557-E574 HydrophobicContact CB-CG 4.31Å; V557-E574 PolarHBondContact N-OE1 3.29Å; V557-F577 HydrophobicContact CG2-CD1 3.62Å; V557-F577 HydrophobicContact CG2-CE1 3.83Å; V557-F577 HydrophobicContact CG2-CG 4.39Å; V557-F578 HydrophobicContact CG2-CE2 4.2Å; V557-F578 HydrophobicContact CG2-CZ 4.16Å
558	T	84.4	Confident	81.1	Confident	19 Å²	19	48.7 Å²	48.7	12%	0.117	29%	0.291	C	S	.	.			trans	-98	40.2	-171.5	68.9	0	0	0	0	113.5	S358 V359 M362 V556	S358-T558 WeakPolarHBondContact CB-OG1 3.43Å; V359-T558 HydrophobicContact CG2-CG2 3.76Å; M362-T558 HydrophobicContact CG-CG2 4.3Å; V556-T558 HydrophobicContact CG2-CG2 4.41Å
559	G	81.6	Confident	81.2	Confident	13 Å²	13	50.9 Å²	50.9	13%	0.134	31%	0.309	C	S	.	.			trans	101.4	170	175.8	0	0	0	0	0	115.3	V557 G561 I570	V557-G559 PolarHBondContact O-N 3.29Å; G559-G561 PolarHBondContact O-N 3.19Å; G559-I570 VanDerWaalsContact N-CG2 3.27Å
560	K	71.4	Confident	81.3	Confident	111 Å²	111	45 Å²	45	48%	0.483	28%	0.284	S	S	.	.	S	Bend	trans	-82.9	7	-168.4	-63.1	167	-179	167.9	0	114.3	E565 Y573	K560-E565 WeakPolarHBondContact CB-OE1 3.25Å; K560-E565 PolarHBondContact N-OE2 3.13Å; K560-Y573 HydrophobicContact CD-CD1 4.26Å; K560-Y573 HydrophobicContact CD-CE1 4.32Å; K560-Y573 HydrophobicContact CD-CG 4.36Å; K560-Y573 VanDerWaalsContact CE-CE2 3.48Å; K560-Y573 HydrophobicContact CG-CD1 3.6Å; K560-Y573 HydrophobicContact CG-CE1 3.46Å; K560-Y573 VanDerWaalsContact CG-CE1 3.46Å; K560-Y573 HydrophobicContact CG-CG 4.19Å
561	G	65.4	Low	81.3	Confident	77 Å²	77	49.3 Å²	49.3	79%	0.794	30%	0.296	S	S	*	.	S	Bend	trans	95.6	-10.9	-176.3	0	0	0	0	0	114.7	G559	G559-G561 PolarHBondContact O-N 3.19Å
562	N	67.1	Low	81.4	Confident	93 Å²	93	50.7 Å²	50.7	50%	0.497	30%	0.3	S	S	.	.			trans	-72.8	145.3	174.3	-62.3	-45.8	0	0	0	111.3	E565	N562-E565 HydrophobicContact CB-CG 3.98Å; N562-E565 PolarHBondContact ND2-OE1 3.36Å
563	S	63.6	Low	81.5	Confident	96 Å²	96	51.4 Å²	51.4	67%	0.671	30%	0.298	S	S	*	.	S	Bend	trans	-82.5	-20.1	-178.6	49.4	0	0	0	0	114.5
564	S	66.7	Low	81.4	Confident	113 Å²	113	50.2 Å²	50.2	79%	0.79	29%	0.293	S	S	*	.	S	Bend	trans	-101.6	5.8	-173.7	53.8	0	0	0	0	114.9
565	E	75.3	Confident	81.2	Confident	37 Å²	37	52.9 Å²	52.9	17%	0.173	31%	0.306	C	S	.	.			trans	-75.3	127.1	175.4	-74.5	171.5	-175.1	0	0	110.8	R367 K560 N562 I570	R367-E565 PolarHBondContact NE-O 2.9Å; R367-E565 PolarHBondContact NH2-O 3.27Å; K560-E565 WeakPolarHBondContact CB-OE1 3.25Å; K560-E565 PolarHBondContact N-OE2 3.13Å; N562-E565 HydrophobicContact CB-CG 3.98Å; N562-E565 PolarHBondContact ND2-OE1 3.36Å; E565-I570 HydrophobicContact CB-CD1 3.83Å; E565-I570 HydrophobicContact CB-CG1 3.96Å
566	S	81.4	Confident	81.1	Confident	54 Å²	54	58 Å²	58	38%	0.378	33%	0.329	S	S	.	.			trans	-69.9	164.8	174.2	87.6	0	0	0	0	111.6	E568 I570	S566-E568 VanDerWaalsContact C-N 3.33Å; S566-E568 WeakPolarHBondContact CB-OE2 3.41Å; S566-E568 PolarHBondContact O-N 3.36Å; S566-E568 PolarHBondContact OG-OE2 3.35Å; S566-I570 WeakPolarHBondContact O-CD1 3.43Å; S566-I570 VanDerWaalsContact O-CG1 3.27Å; S566-I570 WeakPolarHBondContact O-CG1 3.28Å; S566-I570 PolarHBondContact O-N 3.45Å
567	I	84.1	Confident	80.9	Confident	14 Å²	14	59 Å²	59	7%	0.072	33%	0.334	C	S	.	.	H	α-helix	trans	-70.4	-33	-175	-61.5	-63	0	0	0	111.5	E361 M362 R367 I570 R571	E361-I567 HydrophobicContact CB-CD1 4.4Å; M362-I567 HydrophobicContact CE-CG2 4.21Å; M362-I567 HydrophobicContact SD-CD1 3.83Å; M362-I567 HydrophobicContact SD-CG2 3.89Å; R367-I567 HydrophobicContact CG-CD1 4.03Å; R367-I567 HydrophobicContact CG-CG1 4.25Å; I567-I570 PolarHBondContact O-N 3.46Å; I567-R571 PolarHBondContact O-N 3.07Å
568	E	83.5	Confident	80.7	Confident	98 Å²	98	59.2 Å²	59.2	46%	0.458	34%	0.335	S	S	.	.	H	α-helix	trans	-64	-52.3	178.8	-54.5	66.7	-140.8	0	0	110.3	S566 I570 R571 E572	S566-E568 VanDerWaalsContact C-N 3.33Å; S566-E568 WeakPolarHBondContact CB-OE2 3.41Å; S566-E568 PolarHBondContact O-N 3.36Å; S566-E568 PolarHBondContact OG-OE2 3.35Å; E568-I570 PolarHBondContact O-N 2.78Å; E568-R571 PolarHBondContact O-N 2.83Å; E568-R571 VanDerWaalsContact O-N 3.08Å; E568-E572 WeakPolarHBondContact O-CG 3.48Å; E568-E572 PolarHBondContact O-N 3.21Å
569	A	86.1	Confident	80.6	Confident	48 Å²	48	64.6 Å²	64.6	40%	0.397	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-27.4	178.1	0	0	0	0	0	112.7	Y573	A569-Y573 WeakPolarHBondContact O-CB 3.45Å; A569-Y573 PolarHBondContact O-N 3.46Å; A569-Y573 VanDerWaalsContact O-N 3.11Å
570	I	86.5	Confident	80.6	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-79.3	-39.3	175.2	-68.7	170.8	0	0	0	111.6	M362 G559 E565 S566 I567 E568 Y573 E574	M362-I570 HydrophobicContact CE-CB 4.3Å; M362-I570 HydrophobicContact CE-CG2 3.68Å; M362-I570 HydrophobicContact SD-CB 4.07Å; M362-I570 HydrophobicContact SD-CG2 3.5Å; M362-I570 WeakPolarHBondContact SD-CG2 3.48Å; G559-I570 VanDerWaalsContact N-CG2 3.27Å; E565-I570 HydrophobicContact CB-CD1 3.83Å; E565-I570 HydrophobicContact CB-CG1 3.96Å; S566-I570 WeakPolarHBondContact O-CD1 3.43Å; S566-I570 VanDerWaalsContact O-CG1 3.27Å; S566-I570 WeakPolarHBondContact O-CG1 3.28Å; S566-I570 PolarHBondContact O-N 3.45Å; I567-I570 PolarHBondContact O-N 3.46Å; E568-I570 PolarHBondContact O-N 2.78Å; I570-Y573 PolarHBondContact O-N 3.05Å; I570-E574 WeakPolarHBondContact O-CB 3.43Å; I570-E574 PolarHBondContact O-N 2.84Å
571	R	86.1	Confident	80.9	Confident	108 Å²	108	63.3 Å²	63.3	41%	0.408	36%	0.355	S	S	.	.	H	α-helix	trans	-63.7	-44	173.8	-168.3	-173.6	71.6	-144.3	-7.2	110.8	M362 I567 E568 Y573 E574 E575	M362-R571 HydrophobicContact CE-CB 4.35Å; I567-R571 PolarHBondContact O-N 3.07Å; E568-R571 PolarHBondContact O-N 2.83Å; E568-R571 VanDerWaalsContact O-N 3.08Å; R571-Y573 VanDerWaalsContact C-N 3.32Å; R571-Y573 PolarHBondContact O-N 2.91Å; R571-E574 PolarHBondContact O-N 3.25Å; R571-E575 IonicContact NE-OE1 3.96Å; R571-E575 WeakPolarHBondContact O-CG 3.41Å; R571-E575 PolarHBondContact O-N 3.22Å
572	E	88.1	Confident	81.1	Confident	125 Å²	125	67 Å²	67	58%	0.584	35%	0.349	S	S	*	.	H	α-helix	trans	-59.2	-42.4	173.6	-71.9	173.5	-176.2	0	0	111.5	E568 E575 E576	E568-E572 WeakPolarHBondContact O-CG 3.48Å; E568-E572 PolarHBondContact O-N 3.21Å; E572-E575 PolarHBondContact O-N 2.93Å; E572-E576 WeakPolarHBondContact O-CB 3.32Å; E572-E576 PolarHBondContact O-N 2.98Å
573	Y	88.7	Confident	81.1	Confident	31 Å²	31	62.9 Å²	62.9	12%	0.122	33%	0.326	C	S	.	.	H	α-helix	trans	-68	-36.6	174.4	-179.4	-123.4	0	0	0	113.7	K529 V557 K560 A569 I570 R571 F577	K529-Y573 PolarHBondContact NZ-OH 3.09Å; V557-Y573 HydrophobicContact CG1-CD1 4.14Å; V557-Y573 HydrophobicContact CG1-CE1 3.93Å; K560-Y573 HydrophobicContact CD-CD1 4.26Å; K560-Y573 HydrophobicContact CD-CE1 4.32Å; K560-Y573 HydrophobicContact CD-CG 4.36Å; K560-Y573 VanDerWaalsContact CE-CE2 3.48Å; K560-Y573 HydrophobicContact CG-CD1 3.6Å; K560-Y573 HydrophobicContact CG-CE1 3.46Å; K560-Y573 VanDerWaalsContact CG-CE1 3.46Å; K560-Y573 HydrophobicContact CG-CG 4.19Å; A569-Y573 WeakPolarHBondContact O-CB 3.45Å; A569-Y573 PolarHBondContact O-N 3.46Å; A569-Y573 VanDerWaalsContact O-N 3.11Å; I570-Y573 PolarHBondContact O-N 3.05Å; R571-Y573 VanDerWaalsContact C-N 3.32Å; R571-Y573 PolarHBondContact O-N 2.91Å; Y573-F577 WeakPolarHBondContact O-CB 3.27Å; Y573-F577 PolarHBondContact O-N 3.46Å
574	E	89.4	Confident	81.3	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.009	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-44	175	-177.6	172.1	-124.2	0	0	110.8	V556 V557 I570 R571 F577 F578 T595 T596	V556-E574 VanDerWaalsContact CA-OE1 3.26Å; V556-E574 WeakPolarHBondContact CA-OE1 3.34Å; V556-E574 WeakPolarHBondContact CB-OE1 3.33Å; V557-E574 HydrophobicContact CB-CG 4.31Å; V557-E574 PolarHBondContact N-OE1 3.29Å; I570-E574 WeakPolarHBondContact O-CB 3.43Å; I570-E574 PolarHBondContact O-N 2.84Å; R571-E574 PolarHBondContact O-N 3.25Å; E574-F577 PolarHBondContact O-N 2.88Å; E574-F578 HydrophobicContact CG-CD2 3.7Å; E574-F578 HydrophobicContact CG-CE2 3.65Å; E574-F578 VanDerWaalsContact O-CD2 3.25Å; E574-F578 WeakPolarHBondContact O-CD2 3.28Å; E574-F578 PolarHBondContact O-N 3.45Å; E574-T595 HydrophobicContact CG-CG2 4.47Å; E574-T595 WeakPolarHBondContact OE2-CA 3.04Å; E574-T596 PolarHBondContact OE1-N 3.49Å; E574-T596 PolarHBondContact OE1-OG1 2.93Å; E574-T596 VanDerWaalsContact OE1-OG1 3.09Å; E574-T596 WeakPolarHBondContact OE2-CB 3.49Å; E574-T596 PolarHBondContact OE2-N 3.14Å; E574-T596 PolarHBondContact OE2-OG1 3.32Å; E574-T596 VanDerWaalsContact OE2-OG1 3.08Å
575	E	86.4	Confident	81.2	Confident	72 Å²	72	61.3 Å²	61.3	34%	0.336	30%	0.295	S	S	.	.	H	α-helix	trans	-65.7	-46.7	175.9	-70.3	178	-154.4	0	0	111.7	R571 E572 F577 Q579	R571-E575 IonicContact NE-OE1 3.96Å; R571-E575 WeakPolarHBondContact O-CG 3.41Å; R571-E575 PolarHBondContact O-N 3.22Å; E572-E575 PolarHBondContact O-N 2.93Å; E575-F577 VanDerWaalsContact C-N 3.35Å; E575-F577 PolarHBondContact O-N 3.03Å; E575-Q579 WeakPolarHBondContact O-CB 3.43Å; E575-Q579 WeakPolarHBondContact O-CG 3.47Å; E575-Q579 PolarHBondContact O-N 2.84Å; E575-Q579 PolarHBondContact O-NE2 3.07Å
576	E	87.4	Confident	80.6	Confident	106 Å²	106	64 Å²	64	50%	0.495	31%	0.314	S	S	.	.	H	α-helix	trans	-58.6	-44.8	174.3	-175.9	-168.8	-157.2	0	0	111.7	E572 N580	E572-E576 WeakPolarHBondContact O-CB 3.32Å; E572-E576 PolarHBondContact O-N 2.98Å; E576-N580 WeakPolarHBondContact O-CB 3.37Å; E576-N580 PolarHBondContact O-N 3.32Å; E576-N580 PolarHBondContact O-ND2 3.04Å
577	F	86.1	Confident	79.7	Confident	21 Å²	21	66.4 Å²	66.4	9%	0.092	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-52	180	171.5	-101.5	0	0	0	111.3	D525 E528 V557 Y573 E574 E575 Q579 N580 S581	D525-F577 HydrophobicContact CB-CD2 3.98Å; D525-F577 HydrophobicContact CB-CE1 4.38Å; D525-F577 HydrophobicContact CB-CE2 3.72Å; D525-F577 HydrophobicContact CB-CG 4.42Å; D525-F577 HydrophobicContact CB-CZ 3.95Å; E528-F577 WeakPolarHBondContact OE2-CZ 3.48Å; V557-F577 HydrophobicContact CG2-CD1 3.62Å; V557-F577 HydrophobicContact CG2-CE1 3.83Å; V557-F577 HydrophobicContact CG2-CG 4.39Å; Y573-F577 WeakPolarHBondContact O-CB 3.27Å; Y573-F577 PolarHBondContact O-N 3.46Å; E574-F577 PolarHBondContact O-N 2.88Å; E575-F577 VanDerWaalsContact C-N 3.35Å; E575-F577 PolarHBondContact O-N 3.03Å; F577-Q579 PolarHBondContact O-N 2.7Å; F577-N580 CarbonylContact O-C 3.14Å; F577-N580 PolarHBondContact O-N 3.03Å; F577-N580 VanDerWaalsContact O-N 3.09Å; F577-S581 VanDerWaalsContact O-CB 3.28Å; F577-S581 WeakPolarHBondContact O-CB 3.38Å; F577-S581 PolarHBondContact O-N 3.28Å
578	F	85	Confident	78.8	Confident	6 Å²	6	68 Å²	68	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-69.1	-32.3	-177.8	-76.6	-61.1	0	0	0	112.8	A555 V557 E574 N580 L584 L589 V594 T595	A555-F578 HydrophobicContact CB-CE1 4.28Å; A555-F578 HydrophobicContact CB-CZ 4.12Å; A555-F578 VanDerWaalsContact O-CZ 3.25Å; A555-F578 WeakPolarHBondContact O-CZ 3.2Å; V557-F578 HydrophobicContact CG2-CE2 4.2Å; V557-F578 HydrophobicContact CG2-CZ 4.16Å; E574-F578 HydrophobicContact CG-CD2 3.7Å; E574-F578 HydrophobicContact CG-CE2 3.65Å; E574-F578 VanDerWaalsContact O-CD2 3.25Å; E574-F578 WeakPolarHBondContact O-CD2 3.28Å; E574-F578 PolarHBondContact O-N 3.45Å; F578-N580 VanDerWaalsContact C-N 3.28Å; F578-N580 PolarHBondContact O-N 2.87Å; F578-L584 WeakPolarHBondContact O-CD2 3.37Å; F578-L589 HydrophobicContact CE1-CD1 4.37Å; F578-V594 HydrophobicContact CB-CG2 4.5Å; F578-V594 HydrophobicContact CD1-CB 3.76Å; F578-V594 HydrophobicContact CD1-CG1 3.64Å; F578-V594 HydrophobicContact CD1-CG2 4.44Å; F578-V594 HydrophobicContact CD2-CB 4.08Å; F578-V594 HydrophobicContact CE1-CB 3.87Å; F578-V594 HydrophobicContact CE1-CG1 3.58Å; F578-V594 HydrophobicContact CE2-CB 4.17Å; F578-V594 HydrophobicContact CG-CB 3.88Å; F578-V594 HydrophobicContact CG-CG1 4.29Å; F578-V594 HydrophobicContact CG-CG2 4.33Å; F578-V594 HydrophobicContact CZ-CB 4.07Å; F578-V594 HydrophobicContact CZ-CG1 4.17Å; F578-T595 HydrophobicContact CD2-CG2 4Å
579	Q	82.9	Confident	78.2	Confident	131 Å²	131	63.7 Å²	63.7	61%	0.612	32%	0.319	S	S	*	.	H	α-helix	trans	-62.7	-34.3	169.9	-72.7	173.6	42.8	0	0	112.3	E575 F577 K585	E575-Q579 WeakPolarHBondContact O-CB 3.43Å; E575-Q579 WeakPolarHBondContact O-CG 3.47Å; E575-Q579 PolarHBondContact O-N 2.84Å; E575-Q579 PolarHBondContact O-NE2 3.07Å; F577-Q579 PolarHBondContact O-N 2.7Å; Q579-K585 WeakPolarHBondContact O-CE 3.31Å
580	N	81.7	Confident	77.9	Confident	94 Å²	94	67.3 Å²	67.3	50%	0.503	33%	0.326	S	S	.	.	H	α-helix	trans	-95.6	-24.4	-175	-76.9	-62.7	0	0	0	115.8	E576 F577 F578 K585	E576-N580 WeakPolarHBondContact O-CB 3.37Å; E576-N580 PolarHBondContact O-N 3.32Å; E576-N580 PolarHBondContact O-ND2 3.04Å; F577-N580 CarbonylContact O-C 3.14Å; F577-N580 PolarHBondContact O-N 3.03Å; F577-N580 VanDerWaalsContact O-N 3.09Å; F578-N580 VanDerWaalsContact C-N 3.28Å; F578-N580 PolarHBondContact O-N 2.87Å; N580-K585 WeakPolarHBondContact O-CE 3.3Å; N580-K585 PolarHBondContact O-NZ 2.87Å
581	S	76.9	Confident	77.5	Confident	4 Å²	4	70.8 Å²	70.8	3%	0.028	36%	0.355	C	S	.	.			trans	-52.8	141.5	-176.2	172.2	0	0	0	0	113.6	E528 F577 L583 K585	E528-S581 WeakPolarHBondContact OE2-CB 3.42Å; E528-S581 PolarHBondContact OE2-OG 2.7Å; F577-S581 VanDerWaalsContact O-CB 3.28Å; F577-S581 WeakPolarHBondContact O-CB 3.38Å; F577-S581 PolarHBondContact O-N 3.28Å; S581-L583 VanDerWaalsContact C-N 3.29Å; S581-L583 WeakPolarHBondContact OG-CB 3.41Å; S581-L583 PolarHBondContact OG-N 3.01Å; S581-K585 WeakPolarHBondContact O-CG 3.36Å; S581-K585 PolarHBondContact O-N 2.65Å
582	K	69.2	Low	77.3	Confident	154 Å²	154	71.3 Å²	71.3	67%	0.67	36%	0.362	S	S	*	.	H	α-helix	trans	-68.3	-32.2	172.8	-61.5	168.3	-175.3	169.6	0	111	E528 L584 K585 T586	E528-K582 VanDerWaalsContact OE1-CB 3.3Å; E528-K582 WeakPolarHBondContact OE1-CB 3.22Å; E528-K582 WeakPolarHBondContact OE1-CG 3.14Å; E528-K582 PolarHBondContact OE1-N 3.36Å; K582-L584 VanDerWaalsContact C-N 3.33Å; K582-L584 PolarHBondContact O-N 2.87Å; K582-K585 PolarHBondContact O-N 2.76Å; K582-T586 WeakPolarHBondContact O-CB 3.36Å; K582-T586 PolarHBondContact O-N 2.82Å; K582-T586 PolarHBondContact O-OG1 3.14Å; K582-T586 VanDerWaalsContact O-OG1 3.06Å
583	L	68	Low	77.1	Confident	6 Å²	6	66.5 Å²	66.5	3%	0.031	34%	0.339	C	S	.	.	H	α-helix	trans	-62.9	-38.9	-178.2	-56.9	173.5	0	0	0	111.9	V524 E528 P534 I537 S581 M588 L589	V524-L583 HydrophobicContact CG1-CD1 3.88Å; E528-L583 HydrophobicContact CB-CD1 4.35Å; E528-L583 HydrophobicContact CG-CG 4.49Å; P534-L583 HydrophobicContact CB-CD2 3.91Å; I537-L583 HydrophobicContact CD1-CD1 4.3Å; I537-L583 HydrophobicContact CG2-CD1 4.41Å; S581-L583 VanDerWaalsContact C-N 3.29Å; S581-L583 WeakPolarHBondContact OG-CB 3.41Å; S581-L583 PolarHBondContact OG-N 3.01Å; L583-M588 HydrophobicContact CD2-SD 4.43Å; L583-M588 WeakPolarHBondContact O-CB 3.26Å; L583-M588 PolarHBondContact O-N 2.97Å; L583-M588 VanDerWaalsContact O-N 3.1Å; L583-L589 HydrophobicContact CB-CD1 3.63Å; L583-L589 HydrophobicContact CB-CG 4.05Å; L583-L589 HydrophobicContact CD1-CD1 4.29Å; L583-L589 PolarHBondContact O-N 3.06Å
584	L	68.1	Low	77	Confident	49 Å²	49	65.4 Å²	65.4	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-73.6	-44.9	173.5	-154.6	91.6	0	0	0	111.3	F578 K582 T586 S587 L589 V594	F578-L584 WeakPolarHBondContact O-CD2 3.37Å; K582-L584 VanDerWaalsContact C-N 3.33Å; K582-L584 PolarHBondContact O-N 2.87Å; L584-T586 VanDerWaalsContact C-N 3.31Å; L584-T586 PolarHBondContact O-N 3.43Å; L584-S587 WeakPolarHBondContact O-CA 3.38Å; L584-S587 PolarHBondContact O-N 3.2Å; L584-L589 HydrophobicContact CD1-CB 4.08Å; L584-V594 HydrophobicContact CD1-CG1 4.01Å; L584-V594 HydrophobicContact CD1-CG2 3.87Å
585	K	65.3	Low	77	Confident	127 Å²	127	66.3 Å²	66.3	55%	0.552	34%	0.341	S	S	*	.	H	α-helix	trans	-66.5	-27	-177.6	-70.7	170.5	-178.9	169.7	0	114	Q579 N580 S581 K582 S587	Q579-K585 WeakPolarHBondContact O-CE 3.31Å; N580-K585 WeakPolarHBondContact O-CE 3.3Å; N580-K585 PolarHBondContact O-NZ 2.87Å; S581-K585 WeakPolarHBondContact O-CG 3.36Å; S581-K585 PolarHBondContact O-N 2.65Å; K582-K585 PolarHBondContact O-N 2.76Å; K585-S587 VanDerWaalsContact C-N 3.26Å
586	T	62	Low	77.1	Confident	93 Å²	93	63.2 Å²	63.2	57%	0.571	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	7.7	172.3	-53.3	0	0	0	0	112.4	K582 L584 M588	K582-T586 WeakPolarHBondContact O-CB 3.36Å; K582-T586 PolarHBondContact O-N 2.82Å; K582-T586 PolarHBondContact O-OG1 3.14Å; K582-T586 VanDerWaalsContact O-OG1 3.06Å; L584-T586 VanDerWaalsContact C-N 3.31Å; L584-T586 PolarHBondContact O-N 3.43Å; T586-M588 HydrophobicContact CG2-CG 4.06Å; T586-M588 HydrophobicContact CG2-SD 3.97Å; T586-M588 PolarHBondContact O-N 2.97Å; T586-M588 VanDerWaalsContact O-N 3.16Å
587	S	62.2	Low	77.2	Confident	105 Å²	105	66.8 Å²	66.8	73%	0.734	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	21	-178.9	-56.7	0	0	0	0	114.8	L584 K585 L589	L584-S587 WeakPolarHBondContact O-CA 3.38Å; L584-S587 PolarHBondContact O-N 3.2Å; K585-S587 VanDerWaalsContact C-N 3.26Å; S587-L589 VanDerWaalsContact C-N 3.29Å
588	M	64.9	Low	77.3	Confident	48 Å²	48	68.4 Å²	68.4	24%	0.236	35%	0.346	C	S	.	.	S	Bend	trans	-76.9	-19.9	175.9	-62.8	168.9	119.6	0	0	111.8	P534 Q538 L583 T586	P534-M588 HydrophobicContact CB-CE 4.1Å; P534-M588 HydrophobicContact CB-SD 4.23Å; Q538-M588 HydrophobicContact CB-CE 4.48Å; L583-M588 HydrophobicContact CD2-SD 4.43Å; L583-M588 WeakPolarHBondContact O-CB 3.26Å; L583-M588 PolarHBondContact O-N 2.97Å; L583-M588 VanDerWaalsContact O-N 3.1Å; T586-M588 HydrophobicContact CG2-CG 4.06Å; T586-M588 HydrophobicContact CG2-SD 3.97Å; T586-M588 PolarHBondContact O-N 2.97Å; T586-M588 VanDerWaalsContact O-N 3.16Å
589	L	71.6	Confident	77.6	Confident	7 Å²	7	68.1 Å²	68.1	4%	0.037	35%	0.345	C	S	.	.	S	Bend	trans	-122.5	134.6	175.2	-62.4	178.8	0	0	0	110.3	I541 F578 L583 L584 S587 V594	I541-L589 HydrophobicContact CB-CD2 4.38Å; I541-L589 HydrophobicContact CD1-CD2 3.5Å; I541-L589 HydrophobicContact CG2-CD2 3.96Å; F578-L589 HydrophobicContact CE1-CD1 4.37Å; L583-L589 HydrophobicContact CB-CD1 3.63Å; L583-L589 HydrophobicContact CB-CG 4.05Å; L583-L589 HydrophobicContact CD1-CD1 4.29Å; L583-L589 PolarHBondContact O-N 3.06Å; L584-L589 HydrophobicContact CD1-CB 4.08Å; S587-L589 VanDerWaalsContact C-N 3.29Å; L589-V594 HydrophobicContact CB-CG1 4.03Å; L589-V594 HydrophobicContact CD1-CG1 3.97Å
590	K	79.5	Confident	78	Confident	125 Å²	125	62.7 Å²	62.7	54%	0.543	32%	0.321	S	S	.	.			trans	-86.5	145	174.6	-55.5	177.5	-161.9	157.9	0	110.2	H592 Q593	K590-H592 PolarHBondContact O-N 3.26Å; K590-H592 VanDerWaalsContact O-N 3.12Å; K590-Q593 HydrophobicContact CB-CG 4.19Å; K590-Q593 VanDerWaalsContact CD-OE1 3.27Å; K590-Q593 WeakPolarHBondContact O-CB 3.41Å; K590-Q593 PolarHBondContact O-N 3Å
591	A	77.5	Confident	78.4	Confident	73 Å²	73	62.1 Å²	62.1	60%	0.603	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-56	-32	-177.3	0	0	0	0	0	114.7	Q593 V594 N598	A591-Q593 VanDerWaalsContact C-N 3.34Å; A591-V594 VanDerWaalsContact O-CG2 3.26Å; A591-V594 WeakPolarHBondContact O-CG2 3.37Å; A591-N598 PolarHBondContact O-ND2 3.09Å
592	H	82.1	Confident	79	Confident	119 Å²	119	63.4 Å²	63.4	55%	0.551	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-79.7	-11.1	176.4	61.6	-105.3	0	0	0	114.3	F554 K590	F554-H592 WeakPolarHBondContact CE1-O 3.3Å; K590-H592 PolarHBondContact O-N 3.26Å; K590-H592 VanDerWaalsContact O-N 3.12Å
593	Q	84.4	Confident	80	Confident	24 Å²	24	56 Å²	56	11%	0.112	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-94.8	-1.5	177.6	-63	-173.3	-103.7	0	0	112.6	Y553 F554 A555 K590 A591	Y553-Q593 WeakPolarHBondContact O-CB 3.19Å; Y553-Q593 PolarHBondContact O-NE2 2.68Å; F554-Q593 CarbonylContact C-O 3.52Å; F554-Q593 VanDerWaalsContact CA-O 3.25Å; F554-Q593 WeakPolarHBondContact CA-O 3.31Å; A555-Q593 PolarHBondContact N-O 3.18Å; K590-Q593 HydrophobicContact CB-CG 4.19Å; K590-Q593 VanDerWaalsContact CD-OE1 3.27Å; K590-Q593 WeakPolarHBondContact O-CB 3.41Å; K590-Q593 PolarHBondContact O-N 3Å; A591-Q593 VanDerWaalsContact C-N 3.34Å
594	V	86.9	Confident	81	Confident	7 Å²	7	56 Å²	56	4%	0.042	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-115	159.7	179.9	-63.7	0	0	0	0	111.5	A555 F578 L584 L589 A591 N598	A555-V594 HydrophobicContact CB-CG1 4.37Å; A555-V594 WeakPolarHBondContact O-CA 3.39Å; F578-V594 HydrophobicContact CB-CG2 4.5Å; F578-V594 HydrophobicContact CD1-CB 3.76Å; F578-V594 HydrophobicContact CD1-CG1 3.64Å; F578-V594 HydrophobicContact CD1-CG2 4.44Å; F578-V594 HydrophobicContact CD2-CB 4.08Å; F578-V594 HydrophobicContact CE1-CB 3.87Å; F578-V594 HydrophobicContact CE1-CG1 3.58Å; F578-V594 HydrophobicContact CE2-CB 4.17Å; F578-V594 HydrophobicContact CG-CB 3.88Å; F578-V594 HydrophobicContact CG-CG1 4.29Å; F578-V594 HydrophobicContact CG-CG2 4.33Å; F578-V594 HydrophobicContact CZ-CB 4.07Å; F578-V594 HydrophobicContact CZ-CG1 4.17Å; L584-V594 HydrophobicContact CD1-CG1 4.01Å; L584-V594 HydrophobicContact CD1-CG2 3.87Å; L589-V594 HydrophobicContact CB-CG1 4.03Å; L589-V594 HydrophobicContact CD1-CG1 3.97Å; A591-V594 VanDerWaalsContact O-CG2 3.26Å; A591-V594 WeakPolarHBondContact O-CG2 3.37Å; V594-N598 WeakPolarHBondContact O-CB 3.26Å; V594-N598 PolarHBondContact O-ND2 2.96Å
595	T	88.8	Confident	82	Confident	22 Å²	22	58.1 Å²	58.1	14%	0.135	31%	0.308	C	S	.	.	S	Bend	trans	72.1	145.9	-175.3	79.5	0	0	0	0	115.6	A555 E574 F578 R597 N598 L599	A555-T595 PolarHBondContact O-N 3.35Å; E574-T595 HydrophobicContact CG-CG2 4.47Å; E574-T595 WeakPolarHBondContact OE2-CA 3.04Å; F578-T595 HydrophobicContact CD2-CG2 4Å; T595-R597 PolarHBondContact O-N 2.85Å; T595-N598 PolarHBondContact O-N 3.08Å; T595-N598 PolarHBondContact OG1-N 3.21Å; T595-N598 PolarHBondContact OG1-ND2 3.08Å; T595-L599 PolarHBondContact O-N 3.25Å
596	T	89.4	Confident	83.1	Confident	6 Å²	6	53.2 Å²	53.2	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-24.1	177.2	-51.8	0	0	0	0	112.1	M362 I363 E574 L599 S600	M362-T596 HydrophobicContact CB-CG2 3.79Å; I363-T596 HydrophobicContact CG1-CG2 3.92Å; E574-T596 PolarHBondContact OE1-N 3.49Å; E574-T596 PolarHBondContact OE1-OG1 2.93Å; E574-T596 VanDerWaalsContact OE1-OG1 3.09Å; E574-T596 WeakPolarHBondContact OE2-CB 3.49Å; E574-T596 PolarHBondContact OE2-N 3.14Å; E574-T596 PolarHBondContact OE2-OG1 3.32Å; E574-T596 VanDerWaalsContact OE2-OG1 3.08Å; T596-L599 PolarHBondContact O-N 3.42Å; T596-S600 PolarHBondContact O-N 2.87Å; T596-S600 PolarHBondContact O-OG 2.67Å
597	R	87.8	Confident	84.4	Confident	182 Å²	182	48.8 Å²	48.8	69%	0.687	26%	0.262	S	S	*	.	H	α-helix	trans	-66.2	-42.4	175.1	-178	178.2	178.5	172.3	0.9	112.6	T595 S600 L601	T595-R597 PolarHBondContact O-N 2.85Å; R597-S600 PolarHBondContact O-OG 3.1Å; R597-L601 PolarHBondContact O-N 3.34Å
598	N	89.9	Confident	85.6	Confident	55 Å²	55	44.8 Å²	44.8	29%	0.294	23%	0.231	S	C	.	.	H	α-helix	trans	-72.3	-35.9	177.2	-67.7	-29.6	0	0	0	111.2	A591 V594 T595 A602	A591-N598 PolarHBondContact O-ND2 3.09Å; V594-N598 WeakPolarHBondContact O-CB 3.26Å; V594-N598 PolarHBondContact O-ND2 2.96Å; T595-N598 PolarHBondContact O-N 3.08Å; T595-N598 PolarHBondContact OG1-N 3.21Å; T595-N598 PolarHBondContact OG1-ND2 3.08Å; N598-A602 WeakPolarHBondContact O-CB 3.31Å; N598-A602 PolarHBondContact O-N 3.11Å
599	L	90.9	Very high	86.6	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-51.2	172.4	174.6	62.6	0	0	0	111.9	V359 L489 I518 V520 F554 V556 T595 T596 L601 A602 V603	V359-L599 HydrophobicContact CG1-CD2 4.14Å; L489-L599 HydrophobicContact CD1-CD1 4.22Å; I518-L599 HydrophobicContact CG2-CD1 4.06Å; V520-L599 HydrophobicContact CG1-CD2 3.9Å; V520-L599 HydrophobicContact CG2-CD1 3.7Å; V520-L599 HydrophobicContact CG2-CD2 3.74Å; V520-L599 HydrophobicContact CG2-CG 4.39Å; F554-L599 HydrophobicContact CB-CD1 4.07Å; F554-L599 HydrophobicContact CD1-CB 4.12Å; F554-L599 HydrophobicContact CD1-CD1 4.3Å; F554-L599 HydrophobicContact CD2-CD1 3.69Å; F554-L599 HydrophobicContact CE2-CD1 4.2Å; F554-L599 HydrophobicContact CG-CB 4.3Å; F554-L599 HydrophobicContact CG-CD1 3.76Å; V556-L599 HydrophobicContact CG1-CD2 4.02Å; T595-L599 PolarHBondContact O-N 3.25Å; T596-L599 PolarHBondContact O-N 3.42Å; L599-L601 VanDerWaalsContact C-N 3.33Å; L599-L601 PolarHBondContact O-N 3.21Å; L599-A602 PolarHBondContact O-N 3.22Å; L599-V603 HydrophobicContact CD1-CG2 3.88Å; L599-V603 HydrophobicContact CG-CG2 4.41Å; L599-V603 WeakPolarHBondContact O-CB 3.29Å; L599-V603 VanDerWaalsContact O-CG2 3.25Å; L599-V603 WeakPolarHBondContact O-CG2 3.47Å; L599-V603 PolarHBondContact O-N 2.96Å
600	S	90.9	Very high	87.3	Confident	17 Å²	17	49.1 Å²	49.1	12%	0.119	25%	0.249	C	C	.	.	H	α-helix	trans	-65.4	-35.7	-176.8	65.4	0	0	0	0	112.6	M449 T596 R597 S604	M449-S600 WeakPolarHBondContact CE-O 3.43Å; T596-S600 PolarHBondContact O-N 2.87Å; T596-S600 PolarHBondContact O-OG 2.67Å; R597-S600 PolarHBondContact O-OG 3.1Å; S600-S604 VanDerWaalsContact O-CB 3.29Å; S600-S604 WeakPolarHBondContact O-CB 3.44Å; S600-S604 PolarHBondContact O-N 3.33Å
601	L	89.6	Confident	87.6	Confident	82 Å²	82	43.2 Å²	43.2	43%	0.429	22%	0.223	S	C	.	.	H	α-helix	trans	-66.1	-48.3	173.3	-173	143.6	0	0	0	111.7	R597 L599 V603 S604 D605	R597-L601 PolarHBondContact O-N 3.34Å; L599-L601 VanDerWaalsContact C-N 3.33Å; L599-L601 PolarHBondContact O-N 3.21Å; L601-V603 VanDerWaalsContact C-N 3.34Å; L601-V603 PolarHBondContact O-N 3.44Å; L601-S604 VanDerWaalsContact O-CB 3.29Å; L601-S604 WeakPolarHBondContact O-CB 3.45Å; L601-S604 PolarHBondContact O-N 2.97Å; L601-S604 VanDerWaalsContact O-N 3.13Å; L601-D605 WeakPolarHBondContact CD2-OD2 3.42Å; L601-D605 PolarHBondContact O-N 2.86Å
602	A	89.3	Confident	88	Confident	30 Å²	30	44 Å²	44	25%	0.248	21%	0.211	C	C	.	.	H	α-helix	trans	-64.6	-35.3	179	0	0	0	0	0	113.4	F554 N598 L599 C606	F554-A602 HydrophobicContact CE1-CB 4.13Å; F554-A602 HydrophobicContact CE2-CB 4.31Å; F554-A602 HydrophobicContact CZ-CB 3.49Å; F554-A602 VanDerWaalsContact CZ-CB 3.49Å; N598-A602 WeakPolarHBondContact O-CB 3.31Å; N598-A602 PolarHBondContact O-N 3.11Å; L599-A602 PolarHBondContact O-N 3.22Å; A602-C606 WeakPolarHBondContact O-CB 3.23Å; A602-C606 PolarHBondContact O-N 3.14Å; A602-C606 VanDerWaalsContact O-N 3.1Å
603	V	91.1	Very high	88	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-42.7	172.1	171.3	0	0	0	0	110.7	V346 M449 L489 I518 L599 L601 C606 F607	V346-V603 HydrophobicContact CB-CG1 4.46Å; V346-V603 HydrophobicContact CG1-CG1 3.95Å; V346-V603 HydrophobicContact CG2-CG1 3.78Å; M449-V603 HydrophobicContact CE-CB 4.39Å; M449-V603 HydrophobicContact CE-CG1 4.1Å; M449-V603 HydrophobicContact SD-CG1 3.77Å; L489-V603 HydrophobicContact CD1-CG2 4.12Å; I518-V603 HydrophobicContact CD1-CG2 3.82Å; L599-V603 HydrophobicContact CD1-CG2 3.88Å; L599-V603 HydrophobicContact CG-CG2 4.41Å; L599-V603 WeakPolarHBondContact O-CB 3.29Å; L599-V603 VanDerWaalsContact O-CG2 3.25Å; L599-V603 WeakPolarHBondContact O-CG2 3.47Å; L599-V603 PolarHBondContact O-N 2.96Å; L601-V603 VanDerWaalsContact C-N 3.34Å; L601-V603 PolarHBondContact O-N 3.44Å; V603-C606 PolarHBondContact O-N 3.24Å; V603-F607 VanDerWaalsContact O-CB 3.23Å; V603-F607 WeakPolarHBondContact O-CB 3.23Å; V603-F607 PolarHBondContact O-N 2.77Å
604	S	89.8	Confident	88	Confident	5 Å²	5	43 Å²	43	4%	0.035	21%	0.207	C	C	.	.	H	α-helix	trans	-59.3	-49.8	175.4	-165	0	0	0	0	111.7	Q447 S600 L601 C606 F607 W608	Q447-S604 PolarHBondContact OE1-OG 2.92Å; Q447-S604 VanDerWaalsContact OE1-OG 3.08Å; S600-S604 VanDerWaalsContact O-CB 3.29Å; S600-S604 WeakPolarHBondContact O-CB 3.44Å; S600-S604 PolarHBondContact O-N 3.33Å; L601-S604 VanDerWaalsContact O-CB 3.29Å; L601-S604 WeakPolarHBondContact O-CB 3.45Å; L601-S604 PolarHBondContact O-N 2.97Å; L601-S604 VanDerWaalsContact O-N 3.13Å; S604-C606 PolarHBondContact O-N 2.67Å; S604-F607 PolarHBondContact O-N 2.94Å; S604-W608 VanDerWaalsContact O-CD1 3.26Å; S604-W608 PolarHBondContact O-N 3.27Å
605	D	88.5	Confident	87.9	Confident	94 Å²	94	42.8 Å²	42.8	50%	0.503	21%	0.206	S	C	.	.	H	α-helix	trans	-62.1	-42.6	179.7	-73.6	-25.4	0	0	0	112.2	L601 K609	L601-D605 WeakPolarHBondContact CD2-OD2 3.42Å; L601-D605 PolarHBondContact O-N 2.86Å; D605-K609 VanDerWaalsContact O-CB 3.32Å; D605-K609 WeakPolarHBondContact O-CB 3.35Å; D605-K609 PolarHBondContact O-N 3.49Å
606	C	87.8	Confident	87.7	Confident	24 Å²	24	46 Å²	46	16%	0.162	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-43.1	176.7	-167.6	0	0	0	0	111.8	I487 I518 A602 V603 S604 K609 M610	I487-C606 HydrophobicContact CD1-CB 4.25Å; I518-C606 HydrophobicContact CD1-CB 4.43Å; A602-C606 WeakPolarHBondContact O-CB 3.23Å; A602-C606 PolarHBondContact O-N 3.14Å; A602-C606 VanDerWaalsContact O-N 3.1Å; V603-C606 PolarHBondContact O-N 3.24Å; S604-C606 PolarHBondContact O-N 2.67Å; C606-K609 PolarHBondContact O-N 3.22Å; C606-M610 PolarHBondContact O-N 2.96Å; C606-M610 VanDerWaalsContact O-N 3.09Å
607	F	89.6	Confident	87.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-55.2	175.5	171.2	-95.7	0	0	0	110.9	I320 Y323 P344 V346 M449 V450 I487 V603 S604 K609 M610 V611	I320-F607 HydrophobicContact CD1-CE1 4.2Å; I320-F607 HydrophobicContact CD1-CZ 4.22Å; Y323-F607 HydrophobicContact CD1-CZ 4.08Å; Y323-F607 HydrophobicContact CE1-CE2 4.14Å; Y323-F607 AromaticContact CE1-CZ 3.58Å; Y323-F607 HydrophobicContact CE1-CZ 3.58Å; P344-F607 HydrophobicContact CB-CD2 4.44Å; P344-F607 WeakPolarHBondContact O-CE2 3.33Å; V346-F607 HydrophobicContact CG2-CB 4.4Å; V346-F607 HydrophobicContact CG2-CD2 4.1Å; M449-F607 HydrophobicContact CB-CD1 4.2Å; M449-F607 HydrophobicContact CB-CE1 4.41Å; M449-F607 HydrophobicContact CB-CG 4.37Å; V450-F607 HydrophobicContact CB-CE2 4.3Å; V450-F607 HydrophobicContact CB-CZ 4.42Å; V450-F607 HydrophobicContact CG2-CE2 4.5Å; V450-F607 HydrophobicContact CG2-CZ 4.16Å; I487-F607 HydrophobicContact CD1-CB 4.06Å; V603-F607 VanDerWaalsContact O-CB 3.23Å; V603-F607 WeakPolarHBondContact O-CB 3.23Å; V603-F607 PolarHBondContact O-N 2.77Å; S604-F607 PolarHBondContact O-N 2.94Å; F607-K609 VanDerWaalsContact C-N 3.29Å; F607-K609 PolarHBondContact O-N 3.25Å; F607-M610 PolarHBondContact O-N 3.03Å; F607-M610 VanDerWaalsContact O-N 3.13Å; F607-V611 HydrophobicContact CD1-CG2 4.2Å; F607-V611 HydrophobicContact CD2-CG2 4.32Å; F607-V611 HydrophobicContact CE1-CG2 3.93Å; F607-V611 HydrophobicContact CE2-CG2 4.07Å; F607-V611 HydrophobicContact CG-CG2 4.39Å; F607-V611 HydrophobicContact CZ-CG2 3.86Å; F607-V611 VanDerWaalsContact O-CG2 3.31Å; F607-V611 WeakPolarHBondContact O-CG2 3.34Å; F607-V611 PolarHBondContact O-N 3.29Å
608	W	86.8	Confident	87.2	Confident	20 Å²	20	44.1 Å²	44.1	8%	0.076	22%	0.218	C	C	.	.	H	α-helix	trans	-65.7	-28.6	-179.4	-78.1	104.9	0	0	0	113.6	L319 I320 R448 S604 V611 R612 F1007 L1011	L319-W608 HydrophobicContact CB-CH2 4.01Å; I320-W608 HydrophobicContact CB-CZ2 4.36Å; I320-W608 HydrophobicContact CD1-CZ2 4.24Å; R448-W608 HydrophobicContact CB-CZ2 4.01Å; R448-W608 PolarHBondContact O-NE1 3.07Å; S604-W608 VanDerWaalsContact O-CD1 3.26Å; S604-W608 PolarHBondContact O-N 3.27Å; W608-V611 HydrophobicContact CE3-CB 4.33Å; W608-V611 HydrophobicContact CE3-CG1 4.08Å; W608-V611 HydrophobicContact CZ3-CG1 4.02Å; W608-R612 VanDerWaalsContact C-NH2 3.32Å; W608-R612 WeakPolarHBondContact O-CG 3.36Å; W608-R612 PolarHBondContact O-N 3.11Å; W608-R612 PolarHBondContact O-NE 3.19Å; W608-R612 VanDerWaalsContact O-NE 3.11Å; W608-R612 PolarHBondContact O-NH2 3.28Å; W608-F1007 HydrophobicContact CH2-CE2 4.44Å; W608-F1007 HydrophobicContact CH2-CZ 4.39Å; W608-F1007 HydrophobicContact CZ3-CE2 4.32Å; W608-F1007 AromaticContact CZ3-CZ 3.94Å; W608-F1007 HydrophobicContact CZ3-CZ 3.94Å; W608-L1011 HydrophobicContact CE3-CD1 4.38Å; W608-L1011 HydrophobicContact CZ3-CD1 4.19Å
609	K	86.7	Confident	87	Confident	115 Å²	115	41.5 Å²	41.5	50%	0.5	20%	0.204	S	C	.	.	H	α-helix	trans	-62.4	-53.2	169.4	-176.3	-177.7	170	-175.4	0	111.1	D605 C606 F607 V611 R612 E613	D605-K609 VanDerWaalsContact O-CB 3.32Å; D605-K609 WeakPolarHBondContact O-CB 3.35Å; D605-K609 PolarHBondContact O-N 3.49Å; C606-K609 PolarHBondContact O-N 3.22Å; F607-K609 VanDerWaalsContact C-N 3.29Å; F607-K609 PolarHBondContact O-N 3.25Å; K609-V611 VanDerWaalsContact C-N 3.32Å; K609-V611 PolarHBondContact O-N 3.17Å; K609-R612 PolarHBondContact O-N 3.48Å; K609-E613 WeakPolarHBondContact CE-OE1 3.47Å; K609-E613 IonicContact NZ-OE1 2.87Å; K609-E613 PolarHBondContact O-N 2.89Å
610	M	86.2	Confident	86.8	Confident	32 Å²	32	46.2 Å²	46.2	16%	0.158	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-35.7	179.6	-70.9	179.1	60.7	0	0	112.3	P344 N485 I487 C606 F607 R612 E613 S614	P344-M610 HydrophobicContact CB-CB 4.14Å; P344-M610 HydrophobicContact CG-CB 3.68Å; N485-M610 HydrophobicContact CB-CE 4.45Å; N485-M610 VanDerWaalsContact O-CE 3.24Å; N485-M610 WeakPolarHBondContact O-CE 3.27Å; I487-M610 HydrophobicContact CD1-SD 3.77Å; I487-M610 HydrophobicContact CG1-CE 4.22Å; I487-M610 HydrophobicContact CG1-SD 3.49Å; I487-M610 WeakPolarHBondContact CG1-SD 3.44Å; C606-M610 PolarHBondContact O-N 2.96Å; C606-M610 VanDerWaalsContact O-N 3.09Å; F607-M610 PolarHBondContact O-N 3.03Å; F607-M610 VanDerWaalsContact O-N 3.13Å; M610-R612 VanDerWaalsContact C-N 3.33Å; M610-R612 PolarHBondContact O-N 3.3Å; M610-E613 PolarHBondContact O-N 2.95Å; M610-S614 WeakPolarHBondContact O-CB 3.39Å; M610-S614 PolarHBondContact O-N 3Å; M610-S614 PolarHBondContact O-OG 2.79Å
611	V	86.4	Confident	86.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-42.1	176.6	168.3	0	0	0	0	110.8	Y323 P344 F607 W608 K609 S614 V615 F1007	Y323-V611 HydrophobicContact CD2-CG1 3.99Å; Y323-V611 HydrophobicContact CE1-CG2 4.41Å; Y323-V611 HydrophobicContact CE2-CB 4.48Å; Y323-V611 HydrophobicContact CE2-CG1 3.72Å; Y323-V611 HydrophobicContact CE2-CG2 3.94Å; P344-V611 HydrophobicContact CB-CG2 4.1Å; P344-V611 HydrophobicContact CG-CG2 4.11Å; F607-V611 HydrophobicContact CD1-CG2 4.2Å; F607-V611 HydrophobicContact CD2-CG2 4.32Å; F607-V611 HydrophobicContact CE1-CG2 3.93Å; F607-V611 HydrophobicContact CE2-CG2 4.07Å; F607-V611 HydrophobicContact CG-CG2 4.39Å; F607-V611 HydrophobicContact CZ-CG2 3.86Å; F607-V611 VanDerWaalsContact O-CG2 3.31Å; F607-V611 WeakPolarHBondContact O-CG2 3.34Å; F607-V611 PolarHBondContact O-N 3.29Å; W608-V611 HydrophobicContact CE3-CB 4.33Å; W608-V611 HydrophobicContact CE3-CG1 4.08Å; W608-V611 HydrophobicContact CZ3-CG1 4.02Å; K609-V611 VanDerWaalsContact C-N 3.32Å; K609-V611 PolarHBondContact O-N 3.17Å; V611-S614 PolarHBondContact O-OG 2.9Å; V611-V615 HydrophobicContact CG1-CG2 4.02Å; V611-V615 WeakPolarHBondContact O-CB 3Å; V611-V615 WeakPolarHBondContact O-CG2 3.48Å; V611-V615 PolarHBondContact O-N 3.02Å; V611-F1007 HydrophobicContact CG1-CE1 4.16Å; V611-F1007 HydrophobicContact CG1-CZ 4.01Å
612	R	84.9	Confident	86.3	Confident	89 Å²	89	44.1 Å²	44.1	34%	0.336	22%	0.22	S	C	.	.	H	α-helix	trans	-61.3	-52.5	174.8	-74.9	177.5	-75.6	-108.5	0.5	112	W608 K609 M610 S614 L1011	W608-R612 VanDerWaalsContact C-NH2 3.32Å; W608-R612 WeakPolarHBondContact O-CG 3.36Å; W608-R612 PolarHBondContact O-N 3.11Å; W608-R612 PolarHBondContact O-NE 3.19Å; W608-R612 VanDerWaalsContact O-NE 3.11Å; W608-R612 PolarHBondContact O-NH2 3.28Å; K609-R612 PolarHBondContact O-N 3.48Å; M610-R612 VanDerWaalsContact C-N 3.33Å; M610-R612 PolarHBondContact O-N 3.3Å; R612-S614 VanDerWaalsContact C-N 3.3Å; R612-S614 PolarHBondContact O-N 3.1Å; R612-L1011 HydrophobicContact CG-CD1 3.85Å; R612-L1011 HydrophobicContact CG-CD2 3.69Å; R612-L1011 HydrophobicContact CG-CG 4.35Å
613	E	82.6	Confident	86.3	Confident	117 Å²	117	45.9 Å²	45.9	55%	0.547	22%	0.222	S	C	.	.	H	α-helix	trans	-64.1	-31.6	-176.3	-67.8	171.2	-177.6	0	0	113.1	K609 M610	K609-E613 WeakPolarHBondContact CE-OE1 3.47Å; K609-E613 IonicContact NZ-OE1 2.87Å; K609-E613 PolarHBondContact O-N 2.89Å; M610-E613 PolarHBondContact O-N 2.95Å
614	S	84.4	Confident	86.2	Confident	6 Å²	6	48.4 Å²	48.4	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-89.1	-38.1	-179	52.3	0	0	0	0	114.3	H342 P344 M610 V611 R612 Q617 Q618	H342-S614 WeakPolarHBondContact O-CB 3.29Å; P344-S614 WeakPolarHBondContact CD-OG 3.27Å; P344-S614 WeakPolarHBondContact CG-OG 3.4Å; M610-S614 WeakPolarHBondContact O-CB 3.39Å; M610-S614 PolarHBondContact O-N 3Å; M610-S614 PolarHBondContact O-OG 2.79Å; V611-S614 PolarHBondContact O-OG 2.9Å; R612-S614 VanDerWaalsContact C-N 3.3Å; R612-S614 PolarHBondContact O-N 3.1Å; S614-Q617 PolarHBondContact O-N 2.8Å; S614-Q618 WeakPolarHBondContact O-CG 3.46Å; S614-Q618 PolarHBondContact O-N 3.02Å
615	V	84.3	Confident	86	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-69.2	-37.6	-174.8	166.2	0	0	0	0	112	Y323 L343 V611 Q617 Q618 A619 L1004 F1007 I1008	Y323-V615 HydrophobicContact CE2-CG2 4.23Å; L343-V615 HydrophobicContact CD2-CG2 3.59Å; V611-V615 HydrophobicContact CG1-CG2 4.02Å; V611-V615 WeakPolarHBondContact O-CB 3Å; V611-V615 WeakPolarHBondContact O-CG2 3.48Å; V611-V615 PolarHBondContact O-N 3.02Å; V615-Q617 VanDerWaalsContact C-N 3.35Å; V615-Q617 PolarHBondContact O-N 3.21Å; V615-Q618 PolarHBondContact O-N 2.71Å; V615-A619 WeakPolarHBondContact O-CB 3.35Å; V615-A619 PolarHBondContact O-N 2.9Å; V615-L1004 HydrophobicContact CG1-CD2 4.15Å; V615-F1007 HydrophobicContact CB-CE1 4.41Å; V615-F1007 HydrophobicContact CG1-CD1 3.85Å; V615-F1007 HydrophobicContact CG1-CE1 3.92Å; V615-F1007 HydrophobicContact CG2-CE1 4.02Å; V615-I1008 HydrophobicContact CG1-CD1 3.99Å; V615-I1008 HydrophobicContact CG1-CG1 3.68Å
616	E	84.3	Confident	86	Confident	91 Å²	91	49 Å²	49	43%	0.425	24%	0.244	S	C	.	.	H	α-helix	trans	-58.5	-48.1	173.3	-68.4	174.9	-166.1	0	0	110.4	Q618 A619 D620 H1012	E616-Q618 VanDerWaalsContact C-N 3.35Å; E616-Q618 PolarHBondContact O-N 3.16Å; E616-A619 PolarHBondContact O-N 2.98Å; E616-D620 PolarHBondContact O-N 3.04Å; E616-D620 VanDerWaalsContact O-N 3.14Å; E616-H1012 IonicContact OE1-NE2 3.98Å
617	Q	84.3	Confident	86.1	Confident	136 Å²	136	54.4 Å²	54.4	64%	0.636	27%	0.265	S	S	*	.	H	α-helix	trans	-62	-38.2	176.8	-170.7	-175.9	8.1	0	0	112.9	S614 V615 S621	S614-Q617 PolarHBondContact O-N 2.8Å; V615-Q617 VanDerWaalsContact C-N 3.35Å; V615-Q617 PolarHBondContact O-N 3.21Å; Q617-S621 PolarHBondContact O-N 3.46Å; Q617-S621 VanDerWaalsContact O-N 3.11Å
618	Q	83.2	Confident	86.1	Confident	11 Å²	11	59.4 Å²	59.4	5%	0.051	29%	0.291	C	S	.	.	H	α-helix	trans	-69.4	-44.2	176.8	-71.2	-52	-74.7	0	0	112.3	H342 L343 S614 V615 E616 D620 S621 F622	H342-Q618 HydrophobicContact CB-CG 3.7Å; H342-Q618 PolarHBondContact ND1-NE2 2.74Å; H342-Q618 PolarHBondContact ND1-OE1 3.48Å; L343-Q618 HydrophobicContact CD2-CG 4.33Å; S614-Q618 WeakPolarHBondContact O-CG 3.46Å; S614-Q618 PolarHBondContact O-N 3.02Å; V615-Q618 PolarHBondContact O-N 2.71Å; E616-Q618 VanDerWaalsContact C-N 3.35Å; E616-Q618 PolarHBondContact O-N 3.16Å; Q618-D620 VanDerWaalsContact C-N 3.27Å; Q618-D620 PolarHBondContact O-N 2.86Å; Q618-S621 PolarHBondContact O-N 2.85Å; Q618-S621 VanDerWaalsContact O-N 3.12Å; Q618-S621 PolarHBondContact O-OG 3.39Å; Q618-F622 WeakPolarHBondContact O-CD2 3.47Å; Q618-F622 PolarHBondContact O-N 2.84Å
619	A	85.1	Confident	86.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.9	-41.3	177.1	0	0	0	0	0	111.6	V615 E616 F622 K623 L1004 I1008	V615-A619 WeakPolarHBondContact O-CB 3.35Å; V615-A619 PolarHBondContact O-N 2.9Å; E616-A619 PolarHBondContact O-N 2.98Å; A619-F622 PolarHBondContact O-N 2.95Å; A619-K623 WeakPolarHBondContact O-CB 3.28Å; A619-K623 WeakPolarHBondContact O-CD 3.11Å; A619-K623 WeakPolarHBondContact O-CG 3.47Å; A619-K623 PolarHBondContact O-N 3.47Å; A619-L1004 HydrophobicContact CB-CB 4.29Å; A619-I1008 HydrophobicContact CB-CD1 3.53Å
620	D	86.8	Confident	86.4	Confident	100 Å²	100	55.8 Å²	55.8	54%	0.535	28%	0.278	S	S	.	.	H	α-helix	trans	-68.7	-35.5	176	-75.6	-3.6	0	0	0	113.2	E616 Q618 K623 A624	E616-D620 PolarHBondContact O-N 3.04Å; E616-D620 VanDerWaalsContact O-N 3.14Å; Q618-D620 VanDerWaalsContact C-N 3.27Å; Q618-D620 PolarHBondContact O-N 2.86Å; D620-K623 PolarHBondContact O-N 3.28Å; D620-K623 IonicContact OD1-NZ 2.74Å; D620-A624 WeakPolarHBondContact O-CB 3.26Å; D620-A624 PolarHBondContact O-N 3.32Å
621	S	85.5	Confident	86.5	Confident	47 Å²	47	56.5 Å²	56.5	33%	0.329	28%	0.284	S	S	.	.	H	α-helix	trans	-65.2	-39	173.3	80.5	0	0	0	0	112.7	Q617 Q618 T625	Q617-S621 PolarHBondContact O-N 3.46Å; Q617-S621 VanDerWaalsContact O-N 3.11Å; Q618-S621 PolarHBondContact O-N 2.85Å; Q618-S621 VanDerWaalsContact O-N 3.12Å; Q618-S621 PolarHBondContact O-OG 3.39Å; S621-T625 WeakPolarHBondContact O-CB 3.35Å; S621-T625 PolarHBondContact O-N 2.91Å; S621-T625 PolarHBondContact O-OG1 3.34Å
622	F	85.5	Confident	86.7	Confident	8 Å²	8	60.7 Å²	60.7	4%	0.035	30%	0.304	C	S	.	.	H	α-helix	trans	-72.6	-35.5	174.7	-80.8	-72.8	0	0	0	111.9	L330 Y333 T339 Q618 A619 T625 R626 V997 I1000 L1004	L330-F622 HydrophobicContact CD2-CE1 4.41Å; L330-F622 HydrophobicContact CD2-CE2 3.55Å; L330-F622 HydrophobicContact CD2-CZ 3.42Å; L330-F622 VanDerWaalsContact CD2-CZ 3.42Å; Y333-F622 HydrophobicContact CD1-CE1 4.37Å; Y333-F622 AromaticContact CE1-CE1 3.97Å; Y333-F622 HydrophobicContact CE1-CE1 3.97Å; T339-F622 HydrophobicContact CG2-CZ 4.41Å; Q618-F622 WeakPolarHBondContact O-CD2 3.47Å; Q618-F622 PolarHBondContact O-N 2.84Å; A619-F622 PolarHBondContact O-N 2.95Å; F622-T625 PolarHBondContact O-N 2.87Å; F622-R626 VanDerWaalsContact O-CB 3.3Å; F622-R626 WeakPolarHBondContact O-CB 3.41Å; F622-R626 PolarHBondContact O-N 3.39Å; F622-V997 HydrophobicContact CD1-CG1 4.3Å; F622-I1000 HydrophobicContact CD1-CG2 3.89Å; F622-I1000 HydrophobicContact CD2-CG2 3.96Å; F622-I1000 HydrophobicContact CE1-CD1 4.2Å; F622-I1000 HydrophobicContact CE1-CG2 3.96Å; F622-I1000 HydrophobicContact CE2-CG2 4.04Å; F622-I1000 HydrophobicContact CG-CG2 3.91Å; F622-I1000 HydrophobicContact CZ-CG2 4.04Å; F622-L1004 HydrophobicContact CD2-CD1 3.74Å; F622-L1004 HydrophobicContact CE2-CD1 4.39Å; F622-L1004 HydrophobicContact CG-CD1 4.38Å
623	K	88.3	Confident	86.8	Confident	66 Å²	66	57 Å²	57	29%	0.287	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-44.3	171.3	-73.6	160.6	-167.4	164	0	111.9	A619 D620 R626 F627 Q1001 D1005	A619-K623 WeakPolarHBondContact O-CB 3.28Å; A619-K623 WeakPolarHBondContact O-CD 3.11Å; A619-K623 WeakPolarHBondContact O-CG 3.47Å; A619-K623 PolarHBondContact O-N 3.47Å; D620-K623 PolarHBondContact O-N 3.28Å; D620-K623 IonicContact OD1-NZ 2.74Å; K623-R626 PolarHBondContact O-N 3.01Å; K623-F627 WeakPolarHBondContact O-CB 3.42Å; K623-F627 PolarHBondContact O-N 3.48Å; K623-Q1001 HydrophobicContact CG-CG 3.92Å; K623-D1005 WeakPolarHBondContact CE-OD1 3.35Å; K623-D1005 WeakPolarHBondContact CE-OD2 3.4Å; K623-D1005 IonicContact NZ-OD1 3.44Å; K623-D1005 PolarHBondContact NZ-OD1 2.85Å; K623-D1005 IonicContact NZ-OD2 3.78Å
624	A	88.4	Confident	87.1	Confident	53 Å²	53	56.6 Å²	56.6	44%	0.438	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-43.4	174.6	0	0	0	0	0	112	D620 F627 N628	D620-A624 WeakPolarHBondContact O-CB 3.26Å; D620-A624 PolarHBondContact O-N 3.32Å; A624-F627 PolarHBondContact O-N 3.35Å; A624-N628 VanDerWaalsContact O-CG 3.25Å; A624-N628 PolarHBondContact O-N 3.19Å; A624-N628 PolarHBondContact O-ND2 2.81Å
625	T	87.4	Confident	87.4	Confident	55 Å²	55	62 Å²	62	34%	0.337	32%	0.315	S	S	.	.	H	α-helix	trans	-62.1	-44.9	177.1	-58.4	0	0	0	0	111.5	S621 F622 F627 N628 L629 V997	S621-T625 WeakPolarHBondContact O-CB 3.35Å; S621-T625 PolarHBondContact O-N 2.91Å; S621-T625 PolarHBondContact O-OG1 3.34Å; F622-T625 PolarHBondContact O-N 2.87Å; T625-F627 PolarHBondContact O-N 2.85Å; T625-N628 PolarHBondContact O-N 3.11Å; T625-L629 HydrophobicContact CG2-CD1 4.36Å; T625-L629 WeakPolarHBondContact O-CG 3.31Å; T625-L629 PolarHBondContact O-N 2.94Å; T625-V997 HydrophobicContact CG2-CG2 4.37Å
626	R	87.9	Confident	87.4	Confident	56 Å²	56	66.1 Å²	66.1	21%	0.211	34%	0.337	C	S	.	.	H	α-helix	trans	-58.6	-47.2	173.8	-172.9	-175.2	159.8	170	-0.9	111.8	F622 K623 N628 L629 E630 V997	F622-R626 VanDerWaalsContact O-CB 3.3Å; F622-R626 WeakPolarHBondContact O-CB 3.41Å; F622-R626 PolarHBondContact O-N 3.39Å; K623-R626 PolarHBondContact O-N 3.01Å; R626-N628 VanDerWaalsContact C-N 3.29Å; R626-N628 PolarHBondContact O-N 3.24Å; R626-L629 PolarHBondContact O-N 2.88Å; R626-E630 HydrophobicContact CG-CG 4.38Å; R626-E630 IonicContact CZ-OE1 3.6Å; R626-E630 VanDerWaalsContact CZ-OE1 3.27Å; R626-E630 IonicContact NE-OE1 2.72Å; R626-E630 PolarHBondContact NE-OE1 3.09Å; R626-E630 IonicContact NH2-OE1 3.6Å; R626-E630 PolarHBondContact NH2-OE1 3.02Å; R626-E630 WeakPolarHBondContact O-CB 3.39Å; R626-E630 PolarHBondContact O-N 3.48Å; R626-V997 HydrophobicContact CB-CG1 3.68Å; R626-V997 HydrophobicContact CG-CG1 4.33Å
627	F	89.9	Confident	87.5	Confident	139 Å²	139	64.6 Å²	64.6	61%	0.61	33%	0.328	S	S	*	.	H	α-helix	trans	-61.2	-39.3	-179.9	-179.5	-93.5	0	0	0	111.8	K623 A624 T625 T631	K623-F627 WeakPolarHBondContact O-CB 3.42Å; K623-F627 PolarHBondContact O-N 3.48Å; A624-F627 PolarHBondContact O-N 3.35Å; T625-F627 PolarHBondContact O-N 2.85Å; F627-T631 VanDerWaalsContact O-CB 3.25Å; F627-T631 WeakPolarHBondContact O-CB 3.42Å; F627-T631 PolarHBondContact O-N 3.27Å; F627-T631 PolarHBondContact O-OG1 3.42Å
628	N	90.1	Very high	87.4	Confident	104 Å²	104	63 Å²	63	56%	0.556	33%	0.329	S	S	*	.	H	α-helix	trans	-63.1	-48	174.5	-66.5	-24.4	0	0	0	111.6	A624 T625 R626 T631 E632	A624-N628 VanDerWaalsContact O-CG 3.25Å; A624-N628 PolarHBondContact O-N 3.19Å; A624-N628 PolarHBondContact O-ND2 2.81Å; T625-N628 PolarHBondContact O-N 3.11Å; R626-N628 VanDerWaalsContact C-N 3.29Å; R626-N628 PolarHBondContact O-N 3.24Å; N628-T631 PolarHBondContact O-N 3.27Å; N628-E632 PolarHBondContact O-N 3.44Å
629	L	88.6	Confident	87.2	Confident	30 Å²	30	74 Å²	74	16%	0.157	37%	0.37	C	S	.	.	H	α-helix	trans	-64.1	-45.9	177.8	-69.1	171.6	0	0	0	112.3	T625 R626 T631 E632 W633 L990 L994 V997	T625-L629 HydrophobicContact CG2-CD1 4.36Å; T625-L629 WeakPolarHBondContact O-CG 3.31Å; T625-L629 PolarHBondContact O-N 2.94Å; R626-L629 PolarHBondContact O-N 2.88Å; L629-T631 PolarHBondContact O-N 2.85Å; L629-E632 PolarHBondContact O-N 2.9Å; L629-W633 PolarHBondContact O-N 3.34Å; L629-L990 HydrophobicContact CD2-CG 4.27Å; L629-L990 WeakPolarHBondContact O-CD2 3.39Å; L629-L994 HydrophobicContact CB-CB 4.28Å; L629-L994 HydrophobicContact CB-CD1 4.32Å; L629-L994 HydrophobicContact CB-CG 4.16Å; L629-V997 HydrophobicContact CD1-CB 4.48Å; L629-V997 HydrophobicContact CD1-CG2 4.11Å
630	E	89.8	Confident	87	Confident	29 Å²	29	78 Å²	78	14%	0.136	39%	0.391	C	S	.	.	H	α-helix	trans	-61.3	-33.1	174.7	-79.9	-164.7	-161.1	0	0	112.2	R626 K634 L994 R998	R626-E630 HydrophobicContact CG-CG 4.38Å; R626-E630 IonicContact CZ-OE1 3.6Å; R626-E630 VanDerWaalsContact CZ-OE1 3.27Å; R626-E630 IonicContact NE-OE1 2.72Å; R626-E630 PolarHBondContact NE-OE1 3.09Å; R626-E630 IonicContact NH2-OE1 3.6Å; R626-E630 PolarHBondContact NH2-OE1 3.02Å; R626-E630 WeakPolarHBondContact O-CB 3.39Å; R626-E630 PolarHBondContact O-N 3.48Å; E630-K634 WeakPolarHBondContact O-CB 3.46Å; E630-K634 WeakPolarHBondContact O-CD 3.49Å; E630-K634 WeakPolarHBondContact O-CG 3.39Å; E630-K634 PolarHBondContact O-N 2.72Å; E630-K634 IonicContact OE2-NZ 4Å; E630-K634 PolarHBondContact OE2-NZ 2.82Å; E630-L994 HydrophobicContact CG-CD1 4Å; E630-L994 HydrophobicContact CG-CD2 4.14Å; E630-L994 HydrophobicContact CG-CG 4.2Å; E630-R998 IonicContact OE1-NH2 3.2Å; E630-R998 PolarHBondContact OE1-NH2 3.28Å
631	T	89.5	Confident	86.9	Confident	47 Å²	47	81.3 Å²	81.3	29%	0.288	40%	0.396	S	S	.	.	H	α-helix	trans	-72.3	-42	175.4	-60.6	0	0	0	0	111.4	F627 N628 L629 K634 N635	F627-T631 VanDerWaalsContact O-CB 3.25Å; F627-T631 WeakPolarHBondContact O-CB 3.42Å; F627-T631 PolarHBondContact O-N 3.27Å; F627-T631 PolarHBondContact O-OG1 3.42Å; N628-T631 PolarHBondContact O-N 3.27Å; L629-T631 PolarHBondContact O-N 2.85Å; T631-K634 PolarHBondContact O-N 3.38Å; T631-N635 WeakPolarHBondContact O-CB 3.15Å; T631-N635 PolarHBondContact O-N 2.95Å; T631-N635 PolarHBondContact O-ND2 3.08Å
632	E	89.4	Confident	86.8	Confident	89 Å²	89	81.3 Å²	81.3	42%	0.416	39%	0.391	S	S	.	.	H	α-helix	trans	-64.4	-39.7	174.2	-173.2	175.7	176.2	0	0	111.7	N628 L629 N635 N636 L990	N628-E632 PolarHBondContact O-N 3.44Å; L629-E632 PolarHBondContact O-N 2.9Å; E632-N635 PolarHBondContact O-N 2.82Å; E632-N636 VanDerWaalsContact CG-ND2 3.26Å; E632-N636 WeakPolarHBondContact CG-ND2 3.23Å; E632-N636 WeakPolarHBondContact O-CB 3.2Å; E632-N636 PolarHBondContact O-N 3.24Å; E632-N636 PolarHBondContact O-ND2 2.94Å; E632-N636 PolarHBondContact OE1-ND2 2.86Å; E632-L990 HydrophobicContact CB-CD1 3.97Å; E632-L990 VanDerWaalsContact CD-CD1 3.44Å; E632-L990 HydrophobicContact CG-CD1 3.56Å
633	W	88.4	Confident	86.6	Confident	12 Å²	12	83.1 Å²	83.1	5%	0.045	40%	0.401	C	S	.	.	H	α-helix	trans	-59.2	-50.8	171.3	-174.8	-86.3	0	0	0	111.5	L629 N635 N636 Y637 L640 R641 E642 R987 L990 A991 L994	L629-W633 PolarHBondContact O-N 3.34Å; W633-N635 VanDerWaalsContact C-N 3.28Å; W633-N635 PolarHBondContact O-N 2.69Å; W633-N636 PolarHBondContact O-N 3.41Å; W633-Y637 HydrophobicContact CD2-CD2 4.09Å; W633-Y637 AromaticContact CE3-CD2 3.87Å; W633-Y637 HydrophobicContact CE3-CD2 3.87Å; W633-Y637 HydrophobicContact CH2-CD2 4.39Å; W633-Y637 HydrophobicContact CZ3-CD2 4.03Å; W633-Y637 CarbonylContact O-C 3.55Å; W633-Y637 WeakPolarHBondContact O-CA 3.38Å; W633-Y637 PolarHBondContact O-N 3.16Å; W633-L640 HydrophobicContact CZ2-CB 4.03Å; W633-L640 PolarHBondContact NE1-O 2.99Å; W633-R641 WeakPolarHBondContact CZ2-O 3.19Å; W633-E642 HydrophobicContact CD2-CG 4.06Å; W633-E642 HydrophobicContact CG-CG 4.34Å; W633-E642 HydrophobicContact CZ2-CG 4.36Å; W633-R987 HydrophobicContact CH2-CG 3.55Å; W633-R987 HydrophobicContact CZ3-CG 3.7Å; W633-R987 WeakPolarHBondContact CZ3-O 3.41Å; W633-L990 HydrophobicContact CB-CD2 3.87Å; W633-L990 HydrophobicContact CE3-CD2 3.94Å; W633-A991 HydrophobicContact CH2-CB 4.35Å; W633-A991 HydrophobicContact CZ3-CB 3.84Å; W633-L994 HydrophobicContact CB-CD1 4.17Å
634	K	88.3	Confident	86.4	Confident	107 Å²	107	81.6 Å²	81.6	47%	0.465	40%	0.395	S	S	.	.	H	α-helix	trans	-63.3	-32.6	-178.8	-71.4	160.1	-162.5	163.2	0	112.3	E630 T631 P638	E630-K634 WeakPolarHBondContact O-CB 3.46Å; E630-K634 WeakPolarHBondContact O-CD 3.49Å; E630-K634 WeakPolarHBondContact O-CG 3.39Å; E630-K634 PolarHBondContact O-N 2.72Å; E630-K634 IonicContact OE2-NZ 4Å; E630-K634 PolarHBondContact OE2-NZ 2.82Å; T631-K634 PolarHBondContact O-N 3.38Å; K634-P638 WeakPolarHBondContact O-CA 3.32Å; K634-P638 WeakPolarHBondContact O-CB 3.24Å
635	N	89.5	Confident	86.3	Confident	120 Å²	120	80.4 Å²	80.4	64%	0.642	38%	0.38	S	S	*	.	H	α-helix	trans	-74.4	-43.8	176.5	-71.4	-21.5	0	0	0	112.9	T631 E632 W633	T631-N635 WeakPolarHBondContact O-CB 3.15Å; T631-N635 PolarHBondContact O-N 2.95Å; T631-N635 PolarHBondContact O-ND2 3.08Å; E632-N635 PolarHBondContact O-N 2.82Å; W633-N635 VanDerWaalsContact C-N 3.28Å; W633-N635 PolarHBondContact O-N 2.69Å
636	N	86.3	Confident	86.2	Confident	89 Å²	89	82.4 Å²	82.4	48%	0.476	39%	0.388	S	S	.	.	H	α-helix	trans	-85.8	-31.5	-175.5	-69.9	-33.2	0	0	0	113.4	E632 W633 P638	E632-N636 VanDerWaalsContact CG-ND2 3.26Å; E632-N636 WeakPolarHBondContact CG-ND2 3.23Å; E632-N636 WeakPolarHBondContact O-CB 3.2Å; E632-N636 PolarHBondContact O-N 3.24Å; E632-N636 PolarHBondContact O-ND2 2.94Å; E632-N636 PolarHBondContact OE1-ND2 2.86Å; W633-N636 PolarHBondContact O-N 3.41Å; N636-P638 VanDerWaalsContact C-CD 3.5Å
637	Y	86.3	Confident	86.2	Confident	58 Å²	58	83.4 Å²	83.4	23%	0.227	40%	0.395	C	S	.	.			trans	-135.1	48	-168.7	-54.4	-59.7	0	0	0	113.5	W633 R639 L640 R987	W633-Y637 HydrophobicContact CD2-CD2 4.09Å; W633-Y637 AromaticContact CE3-CD2 3.87Å; W633-Y637 HydrophobicContact CE3-CD2 3.87Å; W633-Y637 HydrophobicContact CH2-CD2 4.39Å; W633-Y637 HydrophobicContact CZ3-CD2 4.03Å; W633-Y637 CarbonylContact O-C 3.55Å; W633-Y637 WeakPolarHBondContact O-CA 3.38Å; W633-Y637 PolarHBondContact O-N 3.16Å; Y637-R639 PolarHBondContact O-N 3.47Å; Y637-L640 HydrophobicContact CD1-CD1 4.09Å; Y637-L640 PolarHBondContact O-N 3.47Å; Y637-R987 HydrophobicContact CD1-CG 4.31Å; Y637-R987 HydrophobicContact CD2-CG 4.05Å; Y637-R987 HydrophobicContact CE1-CB 4.2Å; Y637-R987 HydrophobicContact CE1-CG 4.12Å; Y637-R987 HydrophobicContact CE2-CB 3.88Å; Y637-R987 HydrophobicContact CE2-CG 3.85Å; Y637-R987 HydrophobicContact CG-CG 4.29Å; Y637-R987 PolarHBondContact OH-N 3.23Å
638	P	80.6	Confident	86	Confident	102 Å²	102	77 Å²	77	66%	0.662	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-10.2	-167.7	23.3	-35.5	0	0	0	117	K634 N636	K634-P638 WeakPolarHBondContact O-CA 3.32Å; K634-P638 WeakPolarHBondContact O-CB 3.24Å; N636-P638 VanDerWaalsContact C-CD 3.5Å
639	R	80.4	Confident	86.1	Confident	244 Å²	244	72 Å²	72	92%	0.921	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.3	0.7	179.2	-64.4	-175.2	-178.1	172.2	1.1	113.9	Y637	Y637-R639 PolarHBondContact O-N 3.47Å
640	L	81.1	Confident	86.1	Confident	84 Å²	84	74.2 Å²	74.2	44%	0.44	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-101.8	136.3	179.9	-59.1	178.7	0	0	0	109.9	W633 Y637	W633-L640 HydrophobicContact CZ2-CB 4.03Å; W633-L640 PolarHBondContact NE1-O 2.99Å; Y637-L640 HydrophobicContact CD1-CD1 4.09Å; Y637-L640 PolarHBondContact O-N 3.47Å
641	R	83.9	Confident	86	Confident	169 Å²	169	76.8 Å²	76.8	64%	0.638	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-70.5	142.6	167	161.2	173	164.1	-176.5	-12.1	109.4	W633 L643 E647	W633-R641 WeakPolarHBondContact CZ2-O 3.19Å; R641-L643 HydrophobicContact CG-CD2 4.01Å; R641-L643 HydrophobicContact CG-CG 4.35Å; R641-L643 PolarHBondContact O-N 3.01Å; R641-E647 IonicContact CZ-OE2 2.72Å; R641-E647 VanDerWaalsContact NH2-CD 3.31Å; R641-E647 IonicContact NH2-OE1 3.63Å; R641-E647 PolarHBondContact NH2-OE1 3.02Å; R641-E647 IonicContact NH2-OE2 3.97Å; R641-E647 PolarHBondContact NH2-OE2 3.35Å
642	E	82.4	Confident	86	Confident	47 Å²	47	74.6 Å²	74.6	22%	0.22	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-56.8	118	164.3	-63.1	163.1	-166	0	0	109.3	W633 L994 R998	W633-E642 HydrophobicContact CD2-CG 4.06Å; W633-E642 HydrophobicContact CG-CG 4.34Å; W633-E642 HydrophobicContact CZ2-CG 4.36Å; E642-L994 HydrophobicContact CG-CD1 4.45Å; E642-R998 IonicContact OE1-NH2 2.66Å; E642-R998 PolarHBondContact OE1-NH2 3.25Å; E642-R998 IonicContact OE2-CZ 3.2Å; E642-R998 IonicContact OE2-NH1 2.82Å; E642-R998 PolarHBondContact OE2-NH1 3.24Å; E642-R998 IonicContact OE2-NH2 3.45Å; E642-R998 PolarHBondContact OE2-NH2 2.94Å
643	L	83	Confident	86.1	Confident	46 Å²	46	72.5 Å²	72.5	24%	0.241	34%	0.337	C	S	.	.			trans	-128.8	128.9	178.6	-65.4	176.5	0	0	0	109.5	R641 E647 L648 A991	R641-L643 HydrophobicContact CG-CD2 4.01Å; R641-L643 HydrophobicContact CG-CG 4.35Å; R641-L643 PolarHBondContact O-N 3.01Å; L643-E647 WeakPolarHBondContact CA-OE2 3.32Å; L643-E647 HydrophobicContact CB-CB 4.25Å; L643-E647 HydrophobicContact CD2-CB 4.2Å; L643-E647 VanDerWaalsContact CD2-OE2 3.26Å; L643-E647 WeakPolarHBondContact CD2-OE2 3.42Å; L643-L648 HydrophobicContact CB-CD2 3.91Å; L643-L648 HydrophobicContact CB-CG 3.87Å; L643-L648 HydrophobicContact CD1-CD2 3.92Å; L643-A991 WeakPolarHBondContact O-CB 3.37Å
644	D	82.8	Confident	86.1	Confident	33 Å²	33	74.5 Å²	74.5	18%	0.176	35%	0.349	C	S	.	.			trans	-66.5	161.7	176.8	-71.2	-34.9	0	0	0	112.2	N646 E647 L648 K995	D644-N646 PolarHBondContact O-N 3.47Å; D644-N646 VanDerWaalsContact O-N 3.14Å; D644-E647 HydrophobicContact CB-CB 4.5Å; D644-E647 HydrophobicContact CB-CG 4.29Å; D644-E647 PolarHBondContact O-N 2.99Å; D644-L648 WeakPolarHBondContact O-CB 3.19Å; D644-L648 WeakPolarHBondContact O-CG 3.12Å; D644-L648 PolarHBondContact O-N 3.16Å; D644-K995 WeakPolarHBondContact OD1-CD 3.44Å; D644-K995 IonicContact OD1-NZ 3.85Å; D644-K995 VanDerWaalsContact OD2-CD 3.31Å; D644-K995 WeakPolarHBondContact OD2-CD 3.27Å; D644-K995 IonicContact OD2-NZ 2.8Å; D644-K995 PolarHBondContact OD2-NZ 2.94Å
645	R	85.8	Confident	86.2	Confident	29 Å²	29	71.7 Å²	71.7	11%	0.109	34%	0.337	C	S	.	.	H	α-helix	trans	-54.7	-32.5	171.2	-174.9	175.7	-74	112	15.1	113.2	F649 K979 L983 V988 E992	R645-F649 VanDerWaalsContact O-CB 3.31Å; R645-F649 WeakPolarHBondContact O-CB 3.37Å; R645-F649 PolarHBondContact O-N 2.98Å; R645-K979 WeakPolarHBondContact CD-O 3.32Å; R645-K979 HydrophobicContact CG-CB 4.28Å; R645-L983 HydrophobicContact CG-CB 3.99Å; R645-L983 HydrophobicContact CG-CD1 3.92Å; R645-L983 PolarHBondContact NE-O 2.59Å; R645-L983 WeakPolarHBondContact O-CD1 3.41Å; R645-V988 HydrophobicContact CB-CG1 3.99Å; R645-V988 HydrophobicContact CG-CG1 4.39Å; R645-E992 WeakPolarHBondContact CB-OE1 3.3Å; R645-E992 IonicContact CZ-OE1 3.56Å; R645-E992 VanDerWaalsContact CZ-OE1 3.3Å; R645-E992 IonicContact CZ-OE2 3.78Å; R645-E992 IonicContact NE-OE1 2.94Å; R645-E992 IonicContact NH1-OE1 2.69Å; R645-E992 PolarHBondContact NH1-OE1 3.37Å; R645-E992 IonicContact NH1-OE2 2.65Å; R645-E992 PolarHBondContact NH1-OE2 2.91Å; R645-E992 IonicContact NH2-OE1 3.61Å; R645-E992 IonicContact NH2-OE2 3.38Å; R645-E992 PolarHBondContact NH2-OE2 3.39Å
646	N	86.6	Confident	86.2	Confident	97 Å²	97	66 Å²	66	52%	0.519	31%	0.306	S	S	.	.	H	α-helix	trans	-73.7	-40.3	173.6	-78.5	-34.5	0	0	0	113	D644 F649 E650 K979	D644-N646 PolarHBondContact O-N 3.47Å; D644-N646 VanDerWaalsContact O-N 3.14Å; N646-F649 PolarHBondContact O-N 2.7Å; N646-E650 PolarHBondContact O-N 2.72Å; N646-K979 PolarHBondContact OD1-NZ 2.69Å
647	E	86.8	Confident	86.3	Confident	77 Å²	77	63.5 Å²	63.5	36%	0.36	29%	0.293	S	S	.	.	H	α-helix	trans	-67.3	-38.4	175.5	-64.9	-169.1	136.6	0	0	111.4	R641 L643 D644 E650 K651	R641-E647 IonicContact CZ-OE2 2.72Å; R641-E647 VanDerWaalsContact NH2-CD 3.31Å; R641-E647 IonicContact NH2-OE1 3.63Å; R641-E647 PolarHBondContact NH2-OE1 3.02Å; R641-E647 IonicContact NH2-OE2 3.97Å; R641-E647 PolarHBondContact NH2-OE2 3.35Å; L643-E647 WeakPolarHBondContact CA-OE2 3.32Å; L643-E647 HydrophobicContact CB-CB 4.25Å; L643-E647 HydrophobicContact CD2-CB 4.2Å; L643-E647 VanDerWaalsContact CD2-OE2 3.26Å; L643-E647 WeakPolarHBondContact CD2-OE2 3.42Å; D644-E647 HydrophobicContact CB-CB 4.5Å; D644-E647 HydrophobicContact CB-CG 4.29Å; D644-E647 PolarHBondContact O-N 2.99Å; E647-E650 PolarHBondContact O-N 2.85Å; E647-K651 PolarHBondContact O-N 3.1Å
648	L	87.4	Confident	86.5	Confident	3 Å²	3	65.6 Å²	65.6	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-65.1	-39.8	172.7	-71.2	171.4	0	0	0	112.1	L643 D644 K651 A652 F752 L983 V988	L643-L648 HydrophobicContact CB-CD2 3.91Å; L643-L648 HydrophobicContact CB-CG 3.87Å; L643-L648 HydrophobicContact CD1-CD2 3.92Å; D644-L648 WeakPolarHBondContact O-CB 3.19Å; D644-L648 WeakPolarHBondContact O-CG 3.12Å; D644-L648 PolarHBondContact O-N 3.16Å; L648-K651 PolarHBondContact O-N 3.31Å; L648-A652 WeakPolarHBondContact O-CB 3.44Å; L648-A652 PolarHBondContact O-N 3.11Å; L648-F752 HydrophobicContact CB-CE1 4.37Å; L648-F752 HydrophobicContact CD2-CE1 4.28Å; L648-F752 HydrophobicContact CD2-CZ 4.4Å; L648-L983 HydrophobicContact CB-CD1 4.43Å; L648-V988 HydrophobicContact CD1-CB 4.44Å; L648-V988 HydrophobicContact CD1-CG1 4.1Å; L648-V988 HydrophobicContact CD1-CG2 3.91Å
649	F	90.4	Very high	86.8	Confident	1 Å²	1	61.1 Å²	61.1	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-62.4	-47.5	174.3	-174.9	-90	0	0	0	111.4	R645 N646 K651 A652 K653 L755 L969 F972 A973 K979 L983	R645-F649 VanDerWaalsContact O-CB 3.31Å; R645-F649 WeakPolarHBondContact O-CB 3.37Å; R645-F649 PolarHBondContact O-N 2.98Å; N646-F649 PolarHBondContact O-N 2.7Å; F649-K651 PolarHBondContact O-N 3.06Å; F649-A652 PolarHBondContact O-N 2.67Å; F649-K653 HydrophobicContact CE1-CD 4.17Å; F649-K653 WeakPolarHBondContact O-CB 3.4Å; F649-K653 PolarHBondContact O-N 2.91Å; F649-L755 HydrophobicContact CD2-CD2 3.86Å; F649-L755 HydrophobicContact CE2-CD1 4.01Å; F649-L755 HydrophobicContact CE2-CD2 3.98Å; F649-L969 WeakPolarHBondContact CZ-O 3.22Å; F649-F972 HydrophobicContact CE2-CB 3.94Å; F649-F972 HydrophobicContact CZ-CB 3.84Å; F649-A973 HydrophobicContact CE1-CB 3.72Å; F649-A973 HydrophobicContact CZ-CB 4.24Å; F649-K979 HydrophobicContact CD2-CG 3.99Å; F649-K979 HydrophobicContact CE2-CG 4.39Å; F649-K979 HydrophobicContact CG-CG 4.48Å; F649-L983 HydrophobicContact CB-CD1 3.73Å; F649-L983 HydrophobicContact CD2-CD1 4.1Å; F649-L983 HydrophobicContact CG-CD1 4.44Å
650	E	89.1	Confident	87.2	Confident	76 Å²	76	49.8 Å²	49.8	36%	0.355	24%	0.236	S	C	.	.	H	α-helix	trans	-65.8	-36.1	176.6	-71.3	-63.5	129.2	0	0	112	N646 E647 K653 N654	N646-E650 PolarHBondContact O-N 2.72Å; E647-E650 PolarHBondContact O-N 2.85Å; E650-K653 PolarHBondContact O-N 2.63Å; E650-K653 VanDerWaalsContact OE1-CD 3.29Å; E650-K653 WeakPolarHBondContact OE1-CD 3.3Å; E650-K653 IonicContact OE1-NZ 2.84Å; E650-K653 PolarHBondContact OE1-NZ 3.28Å; E650-K653 WeakPolarHBondContact OE2-CD 3.38Å; E650-K653 IonicContact OE2-NZ 3.27Å; E650-K653 PolarHBondContact OE2-NZ 3.04Å; E650-N654 PolarHBondContact O-N 3.44Å; E650-N654 PolarHBondContact O-ND2 2.71Å
651	K	88.5	Confident	87.4	Confident	83 Å²	83	49 Å²	49	36%	0.361	23%	0.232	S	C	.	.	H	α-helix	trans	-57.8	-54.1	170.6	179.9	-178.1	162.9	-140.5	0	110.8	E647 L648 F649 K653 N654 E655 D749 F752	E647-K651 PolarHBondContact O-N 3.1Å; L648-K651 PolarHBondContact O-N 3.31Å; F649-K651 PolarHBondContact O-N 3.06Å; K651-K653 VanDerWaalsContact C-N 3.32Å; K651-K653 PolarHBondContact O-N 3.34Å; K651-N654 PolarHBondContact O-N 2.99Å; K651-E655 PolarHBondContact O-N 3.44Å; K651-E655 VanDerWaalsContact O-N 3.07Å; K651-D749 IonicContact NZ-OD2 2.68Å; K651-D749 PolarHBondContact NZ-OD2 3.45Å; K651-F752 HydrophobicContact CB-CZ 4.15Å; K651-F752 HydrophobicContact CD-CE2 3.9Å; K651-F752 HydrophobicContact CD-CZ 3.75Å; K651-F752 HydrophobicContact CG-CE2 3.99Å; K651-F752 HydrophobicContact CG-CZ 3.92Å
652	A	89.3	Confident	87.5	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.3	-37.1	-178.4	0	0	0	0	0	113	L648 F649 E655 I656 F752 L755	L648-A652 WeakPolarHBondContact O-CB 3.44Å; L648-A652 PolarHBondContact O-N 3.11Å; F649-A652 PolarHBondContact O-N 2.67Å; A652-E655 WeakPolarHBondContact O-CB 3.46Å; A652-E655 PolarHBondContact O-N 3.18Å; A652-I656 WeakPolarHBondContact O-CB 3.29Å; A652-I656 VanDerWaalsContact O-CG1 3.3Å; A652-I656 WeakPolarHBondContact O-CG1 3.39Å; A652-I656 PolarHBondContact O-N 3.25Å; A652-F752 HydrophobicContact CB-CB 4.31Å; A652-F752 HydrophobicContact CB-CD1 3.62Å; A652-F752 HydrophobicContact CB-CD2 3.96Å; A652-F752 HydrophobicContact CB-CE1 3.81Å; A652-F752 HydrophobicContact CB-CE2 4.11Å; A652-F752 HydrophobicContact CB-CG 3.71Å; A652-F752 HydrophobicContact CB-CZ 4.04Å; A652-L755 HydrophobicContact CB-CD2 3.72Å
653	K	91	Very high	87.7	Confident	46 Å²	46	40 Å²	40	20%	0.2	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-42.1	174.7	173.5	-171.9	171.5	-161.7	0	112.1	F649 E650 K651 L657 L969	F649-K653 HydrophobicContact CE1-CD 4.17Å; F649-K653 WeakPolarHBondContact O-CB 3.4Å; F649-K653 PolarHBondContact O-N 2.91Å; E650-K653 PolarHBondContact O-N 2.63Å; E650-K653 VanDerWaalsContact OE1-CD 3.29Å; E650-K653 WeakPolarHBondContact OE1-CD 3.3Å; E650-K653 IonicContact OE1-NZ 2.84Å; E650-K653 PolarHBondContact OE1-NZ 3.28Å; E650-K653 WeakPolarHBondContact OE2-CD 3.38Å; E650-K653 IonicContact OE2-NZ 3.27Å; E650-K653 PolarHBondContact OE2-NZ 3.04Å; K651-K653 VanDerWaalsContact C-N 3.32Å; K651-K653 PolarHBondContact O-N 3.34Å; K653-L657 HydrophobicContact CG-CD1 4.22Å; K653-L657 WeakPolarHBondContact O-CB 3.26Å; K653-L657 WeakPolarHBondContact O-CD1 3.42Å; K653-L657 WeakPolarHBondContact O-CG 3.38Å; K653-L657 PolarHBondContact O-N 2.94Å; K653-L657 VanDerWaalsContact O-N 3.09Å; K653-L969 HydrophobicContact CB-CD2 4.4Å; K653-L969 HydrophobicContact CG-CB 4.41Å; K653-L969 HydrophobicContact CG-CD1 4.22Å; K653-L969 HydrophobicContact CG-CD2 4.42Å
654	N	89.5	Confident	87.7	Confident	54 Å²	54	40.6 Å²	40.6	29%	0.289	21%	0.208	S	C	.	.	H	α-helix	trans	-63.3	-45.8	172.8	-75.7	-92	0	0	0	110.4	R212 E650 K651 I656 L657 D658	R212-N654 PolarHBondContact NH2-OD1 2.76Å; E650-N654 PolarHBondContact O-N 3.44Å; E650-N654 PolarHBondContact O-ND2 2.71Å; K651-N654 PolarHBondContact O-N 2.99Å; N654-I656 PolarHBondContact O-N 2.84Å; N654-L657 PolarHBondContact O-N 2.87Å; N654-L657 VanDerWaalsContact O-N 3.12Å; N654-D658 PolarHBondContact O-N 3.15Å
655	E	88.6	Confident	87.9	Confident	47 Å²	47	45.7 Å²	45.7	22%	0.22	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-44	179.9	-161.8	-179.8	120.4	0	0	113	K651 A652 D658 E659 F752 K756	K651-E655 PolarHBondContact O-N 3.44Å; K651-E655 VanDerWaalsContact O-N 3.07Å; A652-E655 WeakPolarHBondContact O-CB 3.46Å; A652-E655 PolarHBondContact O-N 3.18Å; E655-D658 PolarHBondContact O-N 3.17Å; E655-E659 WeakPolarHBondContact O-CG 3.32Å; E655-E659 PolarHBondContact O-N 3.08Å; E655-F752 WeakPolarHBondContact OE2-CD2 3.46Å; E655-F752 WeakPolarHBondContact OE2-CE2 3.41Å; E655-K756 VanDerWaalsContact OE1-CE 3.29Å; E655-K756 WeakPolarHBondContact OE1-CE 3.36Å; E655-K756 IonicContact OE1-NZ 2.78Å; E655-K756 PolarHBondContact OE1-NZ 2.77Å
656	I	90.1	Very high	88	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65	-37.9	174.8	-70.1	165.5	0	0	0	111.4	A652 N654 E659 V660 M740 L755 K756 V759 V965 L969	A652-I656 WeakPolarHBondContact O-CB 3.29Å; A652-I656 VanDerWaalsContact O-CG1 3.3Å; A652-I656 WeakPolarHBondContact O-CG1 3.39Å; A652-I656 PolarHBondContact O-N 3.25Å; N654-I656 PolarHBondContact O-N 2.84Å; I656-E659 PolarHBondContact O-N 3.06Å; I656-V660 WeakPolarHBondContact O-CG2 3.25Å; I656-V660 PolarHBondContact O-N 3Å; I656-M740 HydrophobicContact CG1-CE 4.31Å; I656-M740 HydrophobicContact CG2-CE 3.99Å; I656-M740 HydrophobicContact CG2-SD 4.13Å; I656-L755 HydrophobicContact CD1-CG 4.26Å; I656-K756 HydrophobicContact CD1-CG 4Å; I656-K756 HydrophobicContact CG1-CG 3.87Å; I656-V759 HydrophobicContact CD1-CG2 4.45Å; I656-V759 HydrophobicContact CG2-CG1 4.3Å; I656-V965 HydrophobicContact CG2-CG1 3.86Å; I656-L969 HydrophobicContact CB-CD1 4.43Å; I656-L969 HydrophobicContact CD1-CD2 4.18Å; I656-L969 HydrophobicContact CG2-CD1 3.96Å
657	L	89.7	Confident	88.1	Confident	37 Å²	37	44.6 Å²	44.6	19%	0.194	23%	0.231	C	C	.	.	H	α-helix	trans	-69.1	-37.5	176.7	-70	170.7	0	0	0	111.6	K653 N654 E659 V660 I661 K966 L969	K653-L657 HydrophobicContact CG-CD1 4.22Å; K653-L657 WeakPolarHBondContact O-CB 3.26Å; K653-L657 WeakPolarHBondContact O-CD1 3.42Å; K653-L657 WeakPolarHBondContact O-CG 3.38Å; K653-L657 PolarHBondContact O-N 2.94Å; K653-L657 VanDerWaalsContact O-N 3.09Å; N654-L657 PolarHBondContact O-N 2.87Å; N654-L657 VanDerWaalsContact O-N 3.12Å; L657-E659 VanDerWaalsContact C-N 3.34Å; L657-V660 PolarHBondContact O-N 3.48Å; L657-I661 WeakPolarHBondContact O-CB 3.42Å; L657-I661 WeakPolarHBondContact O-CD1 3.44Å; L657-I661 VanDerWaalsContact O-CG1 3.22Å; L657-I661 WeakPolarHBondContact O-CG1 3.26Å; L657-I661 PolarHBondContact O-N 2.81Å; L657-K966 HydrophobicContact CD2-CD 4.33Å; L657-K966 HydrophobicContact CD2-CG 3.56Å; L657-L969 HydrophobicContact CD2-CD1 4.07Å; L657-L969 HydrophobicContact CG-CD1 4.09Å
658	D	88.6	Confident	88.3	Confident	103 Å²	103	44.4 Å²	44.4	55%	0.551	24%	0.236	S	C	*	.	H	α-helix	trans	-65.9	-35.8	172.7	-67.5	-30.3	0	0	0	111.5	N654 E655 I661 S662	N654-D658 PolarHBondContact O-N 3.15Å; E655-D658 PolarHBondContact O-N 3.17Å; D658-I661 PolarHBondContact O-N 2.9Å; D658-S662 PolarHBondContact O-N 2.73Å
659	E	87.4	Confident	88.5	Confident	8 Å²	8	50.6 Å²	50.6	4%	0.037	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-46.8	171.7	-77.3	169.4	167.5	0	0	112.1	E655 I656 L657 S662 L663 K756	E655-E659 WeakPolarHBondContact O-CG 3.32Å; E655-E659 PolarHBondContact O-N 3.08Å; I656-E659 PolarHBondContact O-N 3.06Å; L657-E659 VanDerWaalsContact C-N 3.34Å; E659-S662 PolarHBondContact O-N 3.06Å; E659-S662 VanDerWaalsContact O-N 3.11Å; E659-S662 PolarHBondContact O-OG 3.02Å; E659-L663 PolarHBondContact O-N 2.73Å; E659-L663 VanDerWaalsContact O-N 3.16Å; E659-K756 VanDerWaalsContact CD-NZ 3.34Å; E659-K756 IonicContact OE1-NZ 3.8Å; E659-K756 PolarHBondContact OE1-NZ 3.07Å; E659-K756 VanDerWaalsContact OE2-CE 3.26Å; E659-K756 WeakPolarHBondContact OE2-CE 3.11Å; E659-K756 IonicContact OE2-NZ 3.33Å; E659-K756 PolarHBondContact OE2-NZ 2.69Å
660	V	88.3	Confident	88.6	Confident	5 Å²	5	53.8 Å²	53.8	3%	0.03	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-38	175	169.9	0	0	0	0	112.2	I656 L657 S662 L663 S664 F736 E962 V965	I656-V660 WeakPolarHBondContact O-CG2 3.25Å; I656-V660 PolarHBondContact O-N 3Å; L657-V660 PolarHBondContact O-N 3.48Å; V660-S662 VanDerWaalsContact C-N 3.28Å; V660-S662 PolarHBondContact O-N 2.87Å; V660-L663 WeakPolarHBondContact O-CB 3.4Å; V660-L663 PolarHBondContact O-N 3.26Å; V660-S664 PolarHBondContact O-N 3.48Å; V660-F736 HydrophobicContact CG2-CE2 4.05Å; V660-E962 HydrophobicContact CG1-CB 3.63Å; V660-E962 HydrophobicContact CG1-CG 3.7Å; V660-V965 HydrophobicContact CG2-CB 4.32Å; V660-V965 HydrophobicContact CG2-CG1 4.02Å; V660-V965 HydrophobicContact CG2-CG2 4.14Å
661	I	86.1	Confident	88.8	Confident	69 Å²	69	50.3 Å²	50.3	35%	0.354	26%	0.261	S	S	.	.	H	α-helix	trans	-62.3	-38.5	172.3	-71.1	162.9	0	0	0	110.1	L657 D658 L663 S664 Q665	L657-I661 WeakPolarHBondContact O-CB 3.42Å; L657-I661 WeakPolarHBondContact O-CD1 3.44Å; L657-I661 VanDerWaalsContact O-CG1 3.22Å; L657-I661 WeakPolarHBondContact O-CG1 3.26Å; L657-I661 PolarHBondContact O-N 2.81Å; D658-I661 PolarHBondContact O-N 2.9Å; I661-L663 VanDerWaalsContact C-N 3.33Å; I661-L663 PolarHBondContact O-N 3.12Å; I661-S664 WeakPolarHBondContact O-CB 3.4Å; I661-S664 PolarHBondContact O-N 2.87Å; I661-S664 VanDerWaalsContact O-N 3.09Å; I661-S664 PolarHBondContact O-OG 3.08Å; I661-Q665 PolarHBondContact O-N 2.58Å
662	S	86.4	Confident	88.9	Confident	24 Å²	24	48.9 Å²	48.9	17%	0.168	26%	0.256	C	S	.	.	H	α-helix	trans	-65.2	-31.5	176.1	70.1	0	0	0	0	113.7	D658 E659 V660 S664 Q665 F739 K744	D658-S662 PolarHBondContact O-N 2.73Å; E659-S662 PolarHBondContact O-N 3.06Å; E659-S662 VanDerWaalsContact O-N 3.11Å; E659-S662 PolarHBondContact O-OG 3.02Å; V660-S662 VanDerWaalsContact C-N 3.28Å; V660-S662 PolarHBondContact O-N 2.87Å; S662-S664 VanDerWaalsContact C-N 3.31Å; S662-S664 PolarHBondContact O-N 2.7Å; S662-Q665 PolarHBondContact O-N 2.74Å; S662-Q665 VanDerWaalsContact O-N 3.16Å; S662-F739 VanDerWaalsContact OG-CD1 3.31Å; S662-F739 WeakPolarHBondContact OG-CD1 3.17Å; S662-K744 PolarHBondContact OG-NZ 3.29Å; S662-K744 VanDerWaalsContact OG-NZ 3.11Å
663	L	87.4	Confident	89.1	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-62	-37.3	170.3	-179.1	68	0	0	0	111.9	E659 V660 I661 Q665 V666 W671 L732 E735 F736 F739 L961	E659-L663 PolarHBondContact O-N 2.73Å; E659-L663 VanDerWaalsContact O-N 3.16Å; V660-L663 WeakPolarHBondContact O-CB 3.4Å; V660-L663 PolarHBondContact O-N 3.26Å; I661-L663 VanDerWaalsContact C-N 3.33Å; I661-L663 PolarHBondContact O-N 3.12Å; L663-Q665 PolarHBondContact O-N 2.68Å; L663-V666 HydrophobicContact CD1-CG2 4.44Å; L663-V666 WeakPolarHBondContact O-CB 3.39Å; L663-V666 WeakPolarHBondContact O-CG2 3.42Å; L663-V666 PolarHBondContact O-N 3.04Å; L663-W671 HydrophobicContact CD1-CH2 4.14Å; L663-W671 HydrophobicContact CD1-CZ2 3.86Å; L663-L732 HydrophobicContact CD2-CD1 4.21Å; L663-E735 HydrophobicContact CD1-CB 4.14Å; L663-F736 HydrophobicContact CD2-CB 4.14Å; L663-F736 HydrophobicContact CD2-CD2 4.25Å; L663-F739 HydrophobicContact CB-CD2 4.22Å; L663-F739 HydrophobicContact CD1-CD2 3.79Å; L663-F739 HydrophobicContact CD1-CE2 3.98Å; L663-L961 HydrophobicContact CD2-CD2 4.06Å
664	S	82.9	Confident	89.2	Confident	58 Å²	58	53 Å²	53	41%	0.406	28%	0.276	S	S	.	.	H	α-helix	trans	-68.6	-17.3	176.5	81.1	0	0	0	0	114.3	V660 I661 S662	V660-S664 PolarHBondContact O-N 3.48Å; I661-S664 WeakPolarHBondContact O-CB 3.4Å; I661-S664 PolarHBondContact O-N 2.87Å; I661-S664 VanDerWaalsContact O-N 3.09Å; I661-S664 PolarHBondContact O-OG 3.08Å; S662-S664 VanDerWaalsContact C-N 3.31Å; S662-S664 PolarHBondContact O-N 2.7Å
665	Q	85.6	Confident	89.5	Confident	141 Å²	141	50.4 Å²	50.4	66%	0.659	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-3.5	179.7	-63.7	176.2	9.8	0	0	113.3	I661 S662 L663 T667	I661-Q665 PolarHBondContact O-N 2.58Å; S662-Q665 PolarHBondContact O-N 2.74Å; S662-Q665 VanDerWaalsContact O-N 3.16Å; L663-Q665 PolarHBondContact O-N 2.68Å; Q665-T667 PolarHBondContact O-N 3.19Å
666	V	88.1	Confident	89.7	Confident	20 Å²	20	51.5 Å²	51.5	12%	0.121	27%	0.268	C	S	.	.	S	Bend	trans	-59.6	126.8	177	175.4	0	0	0	0	110.3	L663 H670 W671 F739	L663-V666 HydrophobicContact CD1-CG2 4.44Å; L663-V666 WeakPolarHBondContact O-CB 3.39Å; L663-V666 WeakPolarHBondContact O-CG2 3.42Å; L663-V666 PolarHBondContact O-N 3.04Å; V666-H670 HydrophobicContact CG1-CB 4.26Å; V666-W671 HydrophobicContact CB-CZ2 4.33Å; V666-W671 HydrophobicContact CG1-CD2 4.39Å; V666-W671 HydrophobicContact CG1-CG 4.38Å; V666-W671 HydrophobicContact CG1-CZ2 4.27Å; V666-F739 HydrophobicContact CG2-CE2 3.58Å; V666-F739 HydrophobicContact CG2-CZ 3.69Å
667	T	89.9	Confident	89.9	Confident	83 Å²	83	57.1 Å²	57.1	51%	0.509	29%	0.294	S	S	.	.			trans	-61.7	142.1	-169.5	73.1	0	0	0	0	112.2	Q665 K669 H670 W671	Q665-T667 PolarHBondContact O-N 3.19Å; T667-K669 PolarHBondContact O-N 3.24Å; T667-K669 VanDerWaalsContact O-N 3.15Å; T667-H670 PolarHBondContact O-N 3.43Å; T667-H670 PolarHBondContact OG1-N 2.88Å; T667-W671 PolarHBondContact O-N 3.26Å
668	P	90.6	Very high	90.1	Very high	72 Å²	72	57 Å²	57	47%	0.468	30%	0.296	S	S	.	.	H	α-helix	trans	-53.3	-38.2	177.7	-29.8	36.4	0	0	0	113.4	H670 W671 E672 R950	P668-H670 PolarHBondContact O-N 3.28Å; P668-W671 PolarHBondContact O-N 3.07Å; P668-E672 PolarHBondContact O-N 3.2Å; P668-E672 VanDerWaalsContact O-N 3.09Å; P668-R950 WeakPolarHBondContact O-CD 3.47Å
669	K	90.8	Very high	90.4	Very high	134 Å²	134	52 Å²	52	58%	0.583	27%	0.27	S	S	*	.	H	α-helix	trans	-60.9	-43.3	178.5	179.7	177.8	168.2	-178.3	0	112.2	T667 W671 E672 E673	T667-K669 PolarHBondContact O-N 3.24Å; T667-K669 VanDerWaalsContact O-N 3.15Å; K669-W671 PolarHBondContact O-N 3.38Å; K669-E672 PolarHBondContact O-N 2.87Å; K669-E672 VanDerWaalsContact O-N 3.17Å; K669-E673 WeakPolarHBondContact CE-OE1 3.29Å; K669-E673 WeakPolarHBondContact CE-OE2 3.48Å; K669-E673 HydrophobicContact CG-CG 4.41Å; K669-E673 IonicContact NZ-OE1 3Å; K669-E673 PolarHBondContact NZ-OE1 3.07Å; K669-E673 VanDerWaalsContact NZ-OE1 3.15Å; K669-E673 WeakPolarHBondContact O-CG 3.28Å; K669-E673 PolarHBondContact O-N 3.43Å
670	H	92.3	Very high	90.8	Very high	67 Å²	67	54 Å²	54	31%	0.31	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-42.3	-178.5	-168.4	42.2	0	0	0	111.9	V666 T667 P668 E672 E673 I674	V666-H670 HydrophobicContact CG1-CB 4.26Å; T667-H670 PolarHBondContact O-N 3.43Å; T667-H670 PolarHBondContact OG1-N 2.88Å; P668-H670 PolarHBondContact O-N 3.28Å; H670-E672 PolarHBondContact O-N 3.07Å; H670-E673 PolarHBondContact O-N 3.48Å; H670-I674 WeakPolarHBondContact O-CG1 3.42Å; H670-I674 PolarHBondContact O-N 2.74Å
671	W	92.7	Very high	91	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.015	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-42.5	172.3	-75.4	116.1	0	0	0	112.4	L663 V666 T667 P668 K669 L675 L732 E735 R950 L953	L663-W671 HydrophobicContact CD1-CH2 4.14Å; L663-W671 HydrophobicContact CD1-CZ2 3.86Å; V666-W671 HydrophobicContact CB-CZ2 4.33Å; V666-W671 HydrophobicContact CG1-CD2 4.39Å; V666-W671 HydrophobicContact CG1-CG 4.38Å; V666-W671 HydrophobicContact CG1-CZ2 4.27Å; T667-W671 PolarHBondContact O-N 3.26Å; P668-W671 PolarHBondContact O-N 3.07Å; K669-W671 PolarHBondContact O-N 3.38Å; W671-L675 WeakPolarHBondContact O-CB 3.45Å; W671-L675 WeakPolarHBondContact O-CD1 3.48Å; W671-L675 WeakPolarHBondContact O-CG 3.3Å; W671-L675 PolarHBondContact O-N 3.31Å; W671-L732 HydrophobicContact CH2-CD1 4.01Å; W671-E735 HydrophobicContact CH2-CB 3.89Å; W671-E735 HydrophobicContact CH2-CG 4.19Å; W671-E735 HydrophobicContact CZ3-CB 4.46Å; W671-E735 HydrophobicContact CZ3-CG 4.38Å; W671-R950 HydrophobicContact CB-CB 4.49Å; W671-R950 HydrophobicContact CB-CG 3.85Å; W671-L953 HydrophobicContact CD2-CD1 4.38Å; W671-L953 HydrophobicContact CD2-CD2 3.68Å; W671-L953 HydrophobicContact CE3-CD1 3.82Å; W671-L953 HydrophobicContact CE3-CD2 3.95Å; W671-L953 HydrophobicContact CG-CD2 4.27Å; W671-L953 HydrophobicContact CH2-CD1 4.24Å; W671-L953 HydrophobicContact CH2-CD2 4.01Å; W671-L953 HydrophobicContact CZ2-CD2 3.72Å; W671-L953 HydrophobicContact CZ3-CD1 3.75Å; W671-L953 HydrophobicContact CZ3-CD2 4.11Å
672	E	92.6	Very high	91.3	Very high	52 Å²	52	60.8 Å²	60.8	24%	0.243	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-43	179.8	-152.8	155.8	149.1	0	0	111.8	P668 K669 H670 Q676 A946 R950	P668-E672 PolarHBondContact O-N 3.2Å; P668-E672 VanDerWaalsContact O-N 3.09Å; K669-E672 PolarHBondContact O-N 2.87Å; K669-E672 VanDerWaalsContact O-N 3.17Å; H670-E672 PolarHBondContact O-N 3.07Å; E672-Q676 VanDerWaalsContact O-CB 3.22Å; E672-Q676 WeakPolarHBondContact O-CB 3.46Å; E672-Q676 PolarHBondContact O-N 3.09Å; E672-A946 HydrophobicContact CG-CB 4.25Å; E672-R950 IonicContact OE2-CZ 3.36Å; E672-R950 IonicContact OE2-NE 2.72Å; E672-R950 PolarHBondContact OE2-NE 3.38Å
673	E	92.9	Very high	91.6	Very high	98 Å²	98	59.7 Å²	59.7	46%	0.458	30%	0.295	S	S	.	.	H	α-helix	trans	-64.1	-47.7	176.7	-71.5	174.8	145.9	0	0	112.1	K669 H670 Q677	K669-E673 WeakPolarHBondContact CE-OE1 3.29Å; K669-E673 WeakPolarHBondContact CE-OE2 3.48Å; K669-E673 HydrophobicContact CG-CG 4.41Å; K669-E673 IonicContact NZ-OE1 3Å; K669-E673 PolarHBondContact NZ-OE1 3.07Å; K669-E673 VanDerWaalsContact NZ-OE1 3.15Å; K669-E673 WeakPolarHBondContact O-CG 3.28Å; K669-E673 PolarHBondContact O-N 3.43Å; H670-E673 PolarHBondContact O-N 3.48Å; E673-Q677 PolarHBondContact O-N 2.88Å; E673-Q677 VanDerWaalsContact O-N 3.08Å
674	I	93.4	Very high	91.9	Very high	35 Å²	35	60 Å²	60	18%	0.179	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-50.7	177.1	-71.6	173	0	0	0	111.1	H670 Q676 Q677 S678 T731	H670-I674 WeakPolarHBondContact O-CG1 3.42Å; H670-I674 PolarHBondContact O-N 2.74Å; I674-Q676 VanDerWaalsContact C-N 3.3Å; I674-Q676 PolarHBondContact O-N 2.63Å; I674-Q677 PolarHBondContact O-N 3.37Å; I674-S678 PolarHBondContact O-N 3.41Å; I674-S678 PolarHBondContact O-OG 2.91Å; I674-T731 HydrophobicContact CG2-CG2 3.71Å
675	L	94.9	Very high	92.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-39.5	-178.1	-72.9	167.2	0	0	0	111.4	W671 L679 A728 T731 A946 L949 R950	W671-L675 WeakPolarHBondContact O-CB 3.45Å; W671-L675 WeakPolarHBondContact O-CD1 3.48Å; W671-L675 WeakPolarHBondContact O-CG 3.3Å; W671-L675 PolarHBondContact O-N 3.31Å; L675-L679 WeakPolarHBondContact O-CB 3.49Å; L675-L679 PolarHBondContact O-N 3.35Å; L675-A728 HydrophobicContact CD2-CB 4.13Å; L675-T731 WeakPolarHBondContact CD2-OG1 3.4Å; L675-A946 HydrophobicContact CB-CB 4.04Å; L675-L949 HydrophobicContact CD1-CB 3.95Å; L675-L949 HydrophobicContact CD2-CD1 4.45Å; L675-R950 HydrophobicContact CD1-CB 4.12Å
676	Q	93.6	Very high	92.6	Very high	69 Å²	69	55.5 Å²	55.5	32%	0.322	27%	0.274	S	S	.	.	H	α-helix	trans	-66.2	-41.9	176.8	-175.3	174.5	-14.6	0	0	112.1	E672 I674 W680 A946	E672-Q676 VanDerWaalsContact O-CB 3.22Å; E672-Q676 WeakPolarHBondContact O-CB 3.46Å; E672-Q676 PolarHBondContact O-N 3.09Å; I674-Q676 VanDerWaalsContact C-N 3.3Å; I674-Q676 PolarHBondContact O-N 2.63Å; Q676-W680 WeakPolarHBondContact O-CB 3.44Å; Q676-W680 PolarHBondContact O-N 3.41Å; Q676-W680 VanDerWaalsContact O-N 3.14Å; Q676-A946 HydrophobicContact CB-CB 4.01Å
677	Q	93.6	Very high	92.8	Very high	119 Å²	119	54.6 Å²	54.6	56%	0.556	27%	0.268	S	S	*	.	H	α-helix	trans	-66	-57.3	177.7	-177.6	179.6	-22.6	0	0	111.6	E673 I674 L679 W680 E681	E673-Q677 PolarHBondContact O-N 2.88Å; E673-Q677 VanDerWaalsContact O-N 3.08Å; I674-Q677 PolarHBondContact O-N 3.37Å; Q677-L679 VanDerWaalsContact C-N 3.26Å; Q677-L679 PolarHBondContact O-N 2.94Å; Q677-W680 WeakPolarHBondContact O-CB 3.26Å; Q677-W680 PolarHBondContact O-N 2.68Å; Q677-E681 WeakPolarHBondContact CG-OE1 3.14Å; Q677-E681 PolarHBondContact NE2-OE1 3.49Å; Q677-E681 PolarHBondContact O-N 2.76Å
678	S	94.6	Very high	92.8	Very high	33 Å²	33	50.7 Å²	50.7	23%	0.231	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-34.6	-176	-58.5	0	0	0	0	112.2	I674 R682	I674-S678 PolarHBondContact O-N 3.41Å; I674-S678 PolarHBondContact O-OG 2.91Å; S678-R682 WeakPolarHBondContact O-CB 3.3Å; S678-R682 PolarHBondContact O-N 2.7Å; S678-R682 VanDerWaalsContact O-N 3.09Å
679	L	95.1	Very high	92.7	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-65.1	-44.4	173.7	-176.3	62.8	0	0	0	111	L675 Q677 R682 V683 A724 V727 L942 T945	L675-L679 WeakPolarHBondContact O-CB 3.49Å; L675-L679 PolarHBondContact O-N 3.35Å; Q677-L679 VanDerWaalsContact C-N 3.26Å; Q677-L679 PolarHBondContact O-N 2.94Å; L679-R682 PolarHBondContact O-N 3.27Å; L679-V683 HydrophobicContact CD1-CG2 3.93Å; L679-V683 HydrophobicContact CG-CG2 4.3Å; L679-V683 WeakPolarHBondContact O-CB 3.45Å; L679-V683 WeakPolarHBondContact O-CG2 3.16Å; L679-V683 PolarHBondContact O-N 2.97Å; L679-A724 HydrophobicContact CD1-CB 4.05Å; L679-V727 HydrophobicContact CB-CG1 4.37Å; L679-L942 HydrophobicContact CB-CD2 4.37Å; L679-L942 HydrophobicContact CD2-CD2 3.63Å; L679-L942 HydrophobicContact CG-CD2 3.66Å; L679-T945 HydrophobicContact CD2-CG2 3.59Å
680	W	94.6	Very high	92.7	Very high	49 Å²	49	46 Å²	46	19%	0.186	22%	0.22	C	C	.	.	H	α-helix	trans	-64.6	-39.9	177.2	177.8	-123.5	0	0	0	112.8	Q676 Q677 V683 S684 V687 F802 A806 I938 L942	Q676-W680 WeakPolarHBondContact O-CB 3.44Å; Q676-W680 PolarHBondContact O-N 3.41Å; Q676-W680 VanDerWaalsContact O-N 3.14Å; Q677-W680 WeakPolarHBondContact O-CB 3.26Å; Q677-W680 PolarHBondContact O-N 2.68Å; W680-V683 HydrophobicContact CE3-CG1 4.48Å; W680-V683 PolarHBondContact O-N 2.89Å; W680-S684 VanDerWaalsContact CZ2-CB 3.49Å; W680-S684 WeakPolarHBondContact O-CB 3.48Å; W680-S684 PolarHBondContact O-N 3.22Å; W680-S684 PolarHBondContact O-OG 2.84Å; W680-V687 HydrophobicContact CH2-CG1 4.29Å; W680-V687 HydrophobicContact CZ3-CB 4.29Å; W680-V687 HydrophobicContact CZ3-CG1 4.31Å; W680-V687 HydrophobicContact CZ3-CG2 4.25Å; W680-F802 AromaticContact CD2-CE2 3.96Å; W680-F802 HydrophobicContact CD2-CE2 3.96Å; W680-F802 AromaticContact CD2-CZ 3.89Å; W680-F802 HydrophobicContact CD2-CZ 3.89Å; W680-F802 AromaticContact CE2-CE2 3.75Å; W680-F802 AromaticContact CE2-CZ 3.88Å; W680-F802 HydrophobicContact CE3-CE2 4.37Å; W680-F802 AromaticContact CE3-CZ 3.83Å; W680-F802 HydrophobicContact CE3-CZ 3.83Å; W680-F802 HydrophobicContact CG-CE2 4.4Å; W680-F802 HydrophobicContact CH2-CE1 4.41Å; W680-F802 HydrophobicContact CH2-CE2 4.42Å; W680-F802 AromaticContact CH2-CZ 3.78Å; W680-F802 HydrophobicContact CH2-CZ 3.78Å; W680-F802 HydrophobicContact CZ2-CE2 4.03Å; W680-F802 AromaticContact CZ2-CZ 3.85Å; W680-F802 HydrophobicContact CZ2-CZ 3.85Å; W680-F802 AromaticContact CZ3-CZ 3.76Å; W680-F802 HydrophobicContact CZ3-CZ 3.76Å; W680-A806 HydrophobicContact CH2-CB 4.18Å; W680-A806 HydrophobicContact CZ2-CB 3.58Å; W680-I938 HydrophobicContact CZ3-CG2 4.14Å; W680-L942 HydrophobicContact CB-CD1 4.34Å; W680-L942 HydrophobicContact CD2-CD1 4.24Å; W680-L942 HydrophobicContact CE3-CD1 3.65Å; W680-L942 HydrophobicContact CZ3-CD1 4.35Å
681	E	92.8	Very high	92.6	Very high	115 Å²	115	42.8 Å²	42.8	54%	0.537	21%	0.206	S	C	.	.	H	α-helix	trans	-61	-46.1	175.4	-70.3	-176.1	-158.4	0	0	111.6	Q677 V683	Q677-E681 WeakPolarHBondContact CG-OE1 3.14Å; Q677-E681 PolarHBondContact NE2-OE1 3.49Å; Q677-E681 PolarHBondContact O-N 2.76Å; E681-V683 PolarHBondContact O-N 2.73Å
682	R	93	Very high	92.6	Very high	101 Å²	101	42.7 Å²	42.7	38%	0.381	21%	0.205	S	C	.	.	H	α-helix	trans	-65.4	-33.7	175.4	-177.4	65.6	57.5	101.9	-3.3	113.3	S678 L679 E726 V727 E730	S678-R682 WeakPolarHBondContact O-CB 3.3Å; S678-R682 PolarHBondContact O-N 2.7Å; S678-R682 VanDerWaalsContact O-N 3.09Å; L679-R682 PolarHBondContact O-N 3.27Å; R682-E726 IonicContact NH1-OE2 2.63Å; R682-V727 HydrophobicContact CB-CG2 3.78Å; R682-V727 HydrophobicContact CG-CG2 3.76Å; R682-E730 IonicContact CZ-OE1 2.61Å; R682-E730 VanDerWaalsContact CZ-OE1 3.29Å; R682-E730 IonicContact CZ-OE2 2.99Å; R682-E730 IonicContact NH1-OE1 3.6Å; R682-E730 PolarHBondContact NH1-OE1 3.21Å; R682-E730 IonicContact NH1-OE2 3.98Å; R682-E730 IonicContact NH2-OE1 2.67Å; R682-E730 PolarHBondContact NH2-OE1 3.41Å; R682-E730 IonicContact NH2-OE2 3.74Å; R682-E730 PolarHBondContact NH2-OE2 3.17Å
683	V	93.1	Very high	92.4	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-93.2	-37.1	-170.9	160.2	0	0	0	0	114.4	L679 W680 E681 T685 H686 V687 W715 L720	L679-V683 HydrophobicContact CD1-CG2 3.93Å; L679-V683 HydrophobicContact CG-CG2 4.3Å; L679-V683 WeakPolarHBondContact O-CB 3.45Å; L679-V683 WeakPolarHBondContact O-CG2 3.16Å; L679-V683 PolarHBondContact O-N 2.97Å; W680-V683 HydrophobicContact CE3-CG1 4.48Å; W680-V683 PolarHBondContact O-N 2.89Å; E681-V683 PolarHBondContact O-N 2.73Å; V683-T685 VanDerWaalsContact C-N 3.26Å; V683-T685 PolarHBondContact O-N 3.33Å; V683-T685 VanDerWaalsContact O-N 3.1Å; V683-H686 WeakPolarHBondContact O-CB 2.95Å; V683-H686 PolarHBondContact O-N 3.03Å; V683-V687 HydrophobicContact CG1-CG2 3.58Å; V683-V687 PolarHBondContact O-N 3.4Å; V683-W715 HydrophobicContact CB-CZ2 4.31Å; V683-W715 HydrophobicContact CG1-CH2 3.55Å; V683-W715 HydrophobicContact CG1-CZ2 3.39Å; V683-W715 HydrophobicContact CG2-CZ2 4.01Å; V683-L720 HydrophobicContact CG2-CD1 4.31Å
684	S	92.8	Very high	92.1	Very high	7 Å²	7	38.5 Å²	38.5	5%	0.049	19%	0.19	C	C	.	.	H	α-helix	trans	-57.1	-32.8	-166	53.2	0	0	0	0	114.5	W680 H686 V687 I688 R810	W680-S684 VanDerWaalsContact CZ2-CB 3.49Å; W680-S684 WeakPolarHBondContact O-CB 3.48Å; W680-S684 PolarHBondContact O-N 3.22Å; W680-S684 PolarHBondContact O-OG 2.84Å; S684-H686 VanDerWaalsContact C-N 3.3Å; S684-H686 PolarHBondContact O-N 2.99Å; S684-V687 PolarHBondContact O-N 2.94Å; S684-I688 WeakPolarHBondContact O-CG1 3.22Å; S684-I688 PolarHBondContact O-N 3.39Å; S684-R810 PolarHBondContact OG-NH2 2.72Å
685	T	91.2	Very high	91.9	Very high	69 Å²	69	36.8 Å²	36.8	42%	0.423	18%	0.181	S	C	.	.	H	α-helix	trans	-60.5	-39.1	174	-46.4	0	0	0	0	111.8	V683 E689 R810	V683-T685 VanDerWaalsContact C-N 3.26Å; V683-T685 PolarHBondContact O-N 3.33Å; V683-T685 VanDerWaalsContact O-N 3.1Å; T685-E689 WeakPolarHBondContact O-CB 3.25Å; T685-E689 WeakPolarHBondContact O-CG 3.2Å; T685-E689 PolarHBondContact O-N 2.93Å; T685-R810 PolarHBondContact OG1-NH2 3.34Å
686	H	91.9	Very high	91.4	Very high	37 Å²	37	38.6 Å²	38.6	17%	0.171	20%	0.196	C	C	.	.	H	α-helix	trans	-72.7	-43.2	178.4	-169.4	71.4	0	0	0	111.3	V683 S684 I688 N690 W715	V683-H686 WeakPolarHBondContact O-CB 2.95Å; V683-H686 PolarHBondContact O-N 3.03Å; S684-H686 VanDerWaalsContact C-N 3.3Å; S684-H686 PolarHBondContact O-N 2.99Å; H686-I688 PolarHBondContact O-N 3.31Å; H686-N690 VanDerWaalsContact CE1-CB 3.49Å; H686-N690 WeakPolarHBondContact CE1-CB 3.29Å; H686-N690 PolarHBondContact ND1-ND2 3.41Å; H686-N690 WeakPolarHBondContact O-CA 3.28Å; H686-N690 VanDerWaalsContact O-CB 3.29Å; H686-N690 WeakPolarHBondContact O-CB 3.43Å; H686-N690 PolarHBondContact O-N 2.93Å; H686-W715 AromaticContact CD2-CD1 3.28Å; H686-W715 AromaticContact CD2-CD2 3.99Å; H686-W715 AromaticContact CD2-CE2 3.88Å; H686-W715 AromaticContact CD2-CG 3.66Å; H686-W715 AromaticContact CD2-NE1 3.46Å; H686-W715 PolarHBondContact CD2-NE1 3.22Å; H686-W715 AromaticContact NE2-CD1 3.42Å; H686-W715 AromaticContact NE2-CG 3.71Å
687	V	92.7	Very high	90.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-55.9	-52.7	177.6	166.3	0	0	0	0	111.7	W680 V683 S684 I691 Y692 W715 I938	W680-V687 HydrophobicContact CH2-CG1 4.29Å; W680-V687 HydrophobicContact CZ3-CB 4.29Å; W680-V687 HydrophobicContact CZ3-CG1 4.31Å; W680-V687 HydrophobicContact CZ3-CG2 4.25Å; V683-V687 HydrophobicContact CG1-CG2 3.58Å; V683-V687 PolarHBondContact O-N 3.4Å; S684-V687 PolarHBondContact O-N 2.94Å; V687-I691 HydrophobicContact CG2-CD1 4.39Å; V687-I691 WeakPolarHBondContact O-CB 3.41Å; V687-I691 PolarHBondContact O-N 2.65Å; V687-Y692 PolarHBondContact O-N 2.91Å; V687-W715 HydrophobicContact CG2-CH2 4.04Å; V687-W715 HydrophobicContact CG2-CZ3 4.45Å; V687-I938 HydrophobicContact CB-CD1 4.37Å; V687-I938 HydrophobicContact CG1-CD1 3.52Å; V687-I938 HydrophobicContact CG2-CD1 3.94Å; V687-I938 HydrophobicContact CG2-CG2 4.35Å
688	I	90.4	Very high	90.4	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.181	C	C	.	.	I	π-helix	trans	-70.9	-48.8	-175.8	-57.3	-61.1	0	0	0	111.2	S684 H686 Y692 L693 L807 R810 L901 F935	S684-I688 WeakPolarHBondContact O-CG1 3.22Å; S684-I688 PolarHBondContact O-N 3.39Å; H686-I688 PolarHBondContact O-N 3.31Å; I688-Y692 HydrophobicContact CD1-CD1 4.48Å; I688-L693 WeakPolarHBondContact O-CB 3.49Å; I688-L693 PolarHBondContact O-N 3.47Å; I688-L807 HydrophobicContact CD1-CD2 4.28Å; I688-R810 HydrophobicContact CG1-CG 4.07Å; I688-R810 HydrophobicContact CG2-CG 4.5Å; I688-L901 HydrophobicContact CG2-CD2 4.37Å; I688-F935 HydrophobicContact CD1-CE1 3.91Å; I688-F935 HydrophobicContact CD1-CZ 3.57Å
689	E	87.4	Confident	89.2	Confident	38 Å²	38	41.2 Å²	41.2	18%	0.178	21%	0.21	C	C	.	.	I	π-helix	trans	-82.1	-30.4	-171.6	-53.9	-56.6	115.7	0	0	114.7	T685 P694 R897	T685-E689 WeakPolarHBondContact O-CB 3.25Å; T685-E689 WeakPolarHBondContact O-CG 3.2Å; T685-E689 PolarHBondContact O-N 2.93Å; E689-P694 WeakPolarHBondContact O-CD 3.41Å; E689-R897 IonicContact OE1-CZ 2.79Å; E689-R897 IonicContact OE1-NE 3.94Å; E689-R897 PolarHBondContact OE1-NE 3.2Å; E689-R897 IonicContact OE1-NH2 3.78Å; E689-R897 PolarHBondContact OE1-NH2 3.43Å; E689-R897 IonicContact OE2-CZ 2.71Å; E689-R897 IonicContact OE2-NE 2.71Å; E689-R897 PolarHBondContact OE2-NE 2.83Å; E689-R897 IonicContact OE2-NH2 3.3Å
690	N	90.4	Very high	88.4	Confident	69 Å²	69	46.1 Å²	46.1	37%	0.369	24%	0.236	S	C	.	.	I	π-helix	trans	-110.8	-20.3	-169.2	-63.5	-99.5	0	0	0	114.3	H686 K711	H686-N690 VanDerWaalsContact CE1-CB 3.49Å; H686-N690 WeakPolarHBondContact CE1-CB 3.29Å; H686-N690 PolarHBondContact ND1-ND2 3.41Å; H686-N690 WeakPolarHBondContact O-CA 3.28Å; H686-N690 VanDerWaalsContact O-CB 3.29Å; H686-N690 WeakPolarHBondContact O-CB 3.43Å; H686-N690 PolarHBondContact O-N 2.93Å; N690-K711 WeakPolarHBondContact O-CD 3.22Å
691	I	91.4	Very high	87.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-110.5	-59.5	179.3	-62.4	155.8	0	0	0	110	V687 A695 K711 L712 W715 L934	V687-I691 HydrophobicContact CG2-CD1 4.39Å; V687-I691 WeakPolarHBondContact O-CB 3.41Å; V687-I691 PolarHBondContact O-N 2.65Å; I691-A695 VanDerWaalsContact O-CB 3.3Å; I691-A695 WeakPolarHBondContact O-CB 3.38Å; I691-A695 PolarHBondContact O-N 3.23Å; I691-K711 HydrophobicContact CB-CB 4.47Å; I691-K711 HydrophobicContact CG1-CB 3.99Å; I691-K711 HydrophobicContact CG2-CB 4.38Å; I691-L712 HydrophobicContact CD1-CD2 4.01Å; I691-L712 HydrophobicContact CG2-CD2 4.25Å; I691-L712 HydrophobicContact CG2-CG 4.33Å; I691-W715 HydrophobicContact CD1-CD2 4.07Å; I691-W715 HydrophobicContact CD1-CE3 3.77Å; I691-W715 HydrophobicContact CD1-CG 4.46Å; I691-W715 HydrophobicContact CD1-CZ3 4.24Å; I691-L934 HydrophobicContact CG2-CD1 4.17Å; I691-L934 HydrophobicContact CG2-CD2 4.38Å
692	Y	91.7	Very high	86.9	Confident	3 Å²	3	42.2 Å²	42.2	1%	0.012	24%	0.236	C	C	.	.	I	π-helix	trans	-72.8	-57.3	-173.9	-178.4	-128.5	0	0	0	113.2	V687 I688 A695 A696 F704 L807 F900 A904 D931 L934 F935	V687-Y692 PolarHBondContact O-N 2.91Å; I688-Y692 HydrophobicContact CD1-CD1 4.48Å; Y692-A695 PolarHBondContact O-N 3.44Å; Y692-A696 HydrophobicContact CD2-CB 4.36Å; Y692-A696 HydrophobicContact CE2-CB 4.01Å; Y692-A696 WeakPolarHBondContact O-CB 3.28Å; Y692-A696 PolarHBondContact O-N 3.37Å; Y692-F704 HydrophobicContact CE2-CE2 4.48Å; Y692-L807 HydrophobicContact CD1-CD2 4.22Å; Y692-L807 HydrophobicContact CE1-CD2 3.8Å; Y692-F900 AromaticContact CD1-CE1 3.89Å; Y692-F900 HydrophobicContact CD1-CE1 3.89Å; Y692-F900 AromaticContact CD1-CZ 3.91Å; Y692-F900 HydrophobicContact CD1-CZ 3.91Å; Y692-F900 AromaticContact CE1-CE1 3.65Å; Y692-F900 HydrophobicContact CE1-CE1 3.65Å; Y692-F900 AromaticContact CE1-CZ 3.53Å; Y692-F900 HydrophobicContact CE1-CZ 3.53Å; Y692-F900 AromaticContact CZ-CZ 3.96Å; Y692-A904 HydrophobicContact CE1-CB 4.26Å; Y692-A904 WeakPolarHBondContact OH-CB 3.43Å; Y692-D931 HydrophobicContact CE2-CB 4.14Å; Y692-D931 VanDerWaalsContact CE2-CG 3.46Å; Y692-D931 WeakPolarHBondContact CE2-OD2 3.44Å; Y692-D931 PolarHBondContact OH-OD2 2.81Å; Y692-L934 HydrophobicContact CD2-CD2 3.91Å; Y692-F935 HydrophobicContact CD1-CE2 4.19Å; Y692-F935 HydrophobicContact CD1-CZ 4.27Å; Y692-F935 HydrophobicContact CD2-CE2 4.13Å; Y692-F935 HydrophobicContact CE1-CE2 4.36Å; Y692-F935 HydrophobicContact CE2-CE2 4.31Å; Y692-F935 HydrophobicContact CG-CE2 4.07Å; Y692-F935 HydrophobicContact CG-CZ 4.42Å
693	L	88.3	Confident	86.5	Confident	18 Å²	18	40.5 Å²	40.5	9%	0.094	24%	0.236	C	C	.	.	H	α-helix	trans	-54.4	-40.6	-177.3	176	65.9	0	0	0	113.4	I688 Q697 Y896 F900	I688-L693 WeakPolarHBondContact O-CB 3.49Å; I688-L693 PolarHBondContact O-N 3.47Å; L693-Q697 WeakPolarHBondContact O-CG 3.41Å; L693-Q697 PolarHBondContact O-NE2 3.47Å; L693-Y896 HydrophobicContact CD1-CE1 4.33Å; L693-F900 HydrophobicContact CB-CE1 4.37Å; L693-F900 HydrophobicContact CD1-CB 4.49Å; L693-F900 HydrophobicContact CD1-CD1 3.62Å; L693-F900 HydrophobicContact CD1-CD2 4.01Å; L693-F900 HydrophobicContact CD1-CE1 3.76Å; L693-F900 HydrophobicContact CD1-CE2 4.14Å; L693-F900 HydrophobicContact CD1-CG 3.76Å; L693-F900 HydrophobicContact CD1-CZ 4.02Å
694	P	87.9	Confident	86.2	Confident	43 Å²	43	40.9 Å²	40.9	28%	0.279	24%	0.238	S	C	.	.	H	α-helix	trans	-76.1	-27.5	176	-19.3	35.2	0	0	0	114.3	E689	E689-P694 WeakPolarHBondContact O-CD 3.41Å
695	A	87.7	Confident	85.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-75.8	-42.6	177.9	0	0	0	0	0	112	I691 Y692 Q697 T698 F704 T707 V708	I691-A695 VanDerWaalsContact O-CB 3.3Å; I691-A695 WeakPolarHBondContact O-CB 3.38Å; I691-A695 PolarHBondContact O-N 3.23Å; Y692-A695 PolarHBondContact O-N 3.44Å; A695-Q697 PolarHBondContact O-N 3.23Å; A695-Q697 VanDerWaalsContact O-N 3.09Å; A695-T698 WeakPolarHBondContact O-CB 3.35Å; A695-T698 WeakPolarHBondContact O-CG2 3.31Å; A695-T698 PolarHBondContact O-N 2.85Å; A695-T698 PolarHBondContact O-OG1 3.34Å; A695-F704 HydrophobicContact CB-CD2 3.83Å; A695-F704 HydrophobicContact CB-CE2 3.84Å; A695-F704 HydrophobicContact CB-CG 4.46Å; A695-F704 HydrophobicContact CB-CZ 4.47Å; A695-F704 WeakPolarHBondContact O-CD2 3.32Å; A695-T707 HydrophobicContact CB-CG2 4.14Å; A695-V708 HydrophobicContact CB-CG2 3.6Å
696	A	85.6	Confident	85.9	Confident	37 Å²	37	42.4 Å²	42.4	31%	0.306	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-3.6	178.6	0	0	0	0	0	114.2	Y692 F704 F900	Y692-A696 HydrophobicContact CD2-CB 4.36Å; Y692-A696 HydrophobicContact CE2-CB 4.01Å; Y692-A696 WeakPolarHBondContact O-CB 3.28Å; Y692-A696 PolarHBondContact O-N 3.37Å; A696-F704 HydrophobicContact CB-CE2 4.37Å; A696-F900 HydrophobicContact CB-CE2 3.55Å; A696-F900 HydrophobicContact CB-CZ 3.65Å
697	Q	83.3	Confident	85.8	Confident	67 Å²	67	42.4 Å²	42.4	31%	0.313	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-0.7	169.5	-72.1	170.4	58.8	0	0	113.3	L693 A695 A862	L693-Q697 WeakPolarHBondContact O-CG 3.41Å; L693-Q697 PolarHBondContact O-NE2 3.47Å; A695-Q697 PolarHBondContact O-N 3.23Å; A695-Q697 VanDerWaalsContact O-N 3.09Å; Q697-A862 VanDerWaalsContact CD-CB 3.5Å
698	T	82.4	Confident	85.7	Confident	41 Å²	41	42.4 Å²	42.4	25%	0.252	25%	0.249	S	C	.	.	S	Bend	trans	-87.4	139.7	177.5	68.1	0	0	0	0	111.4	A695 N700 F704	A695-T698 WeakPolarHBondContact O-CB 3.35Å; A695-T698 WeakPolarHBondContact O-CG2 3.31Å; A695-T698 PolarHBondContact O-N 2.85Å; A695-T698 PolarHBondContact O-OG1 3.34Å; T698-N700 VanDerWaalsContact C-N 3.3Å; T698-N700 PolarHBondContact O-N 2.91Å; T698-F704 WeakPolarHBondContact OG1-CA 3.14Å; T698-F704 WeakPolarHBondContact OG1-CB 3.41Å; T698-F704 PolarHBondContact OG1-N 2.99Å
699	M	69.1	Low	85.7	Confident	169 Å²	169	44.3 Å²	44.3	83%	0.833	26%	0.259	S	S	*	.	S	Bend	trans	-74.5	-10.3	-169	-56.8	-63.3	162.5	0	0	115.5
700	N	77.9	Confident	85.9	Confident	103 Å²	103	46.8 Å²	46.8	55%	0.551	27%	0.272	S	S	*	.	S	Bend	trans	-138.9	141	-174.3	-54.9	-30.1	0	0	0	111	T698 G702 T703 F704	T698-N700 VanDerWaalsContact C-N 3.3Å; T698-N700 PolarHBondContact O-N 2.91Å; N700-G702 PolarHBondContact O-N 2.92Å; N700-G702 VanDerWaalsContact O-N 3.09Å; N700-T703 PolarHBondContact O-N 3.02Å; N700-T703 PolarHBondContact O-OG1 3.36Å; N700-F704 PolarHBondContact O-N 3.17Å
701	S	77.2	Confident	86	Confident	38 Å²	38	46.8 Å²	46.8	27%	0.266	27%	0.269	S	S	.	.	H	α-helix	trans	-46.4	-38.4	169.2	39	0	0	0	0	115.1	N705 E928 N930	S701-N705 PolarHBondContact O-N 3.32Å; S701-N705 PolarHBondContact O-ND2 2.89Å; S701-E928 WeakPolarHBondContact CB-OE1 3.22Å; S701-E928 WeakPolarHBondContact CB-OE2 3.37Å; S701-E928 PolarHBondContact N-OE2 3.01Å; S701-E928 PolarHBondContact OG-OE1 2.96Å; S701-N930 VanDerWaalsContact CB-ND2 3.29Å; S701-N930 WeakPolarHBondContact CB-ND2 3.17Å
702	G	79	Confident	86	Confident	44 Å²	44	47 Å²	47	45%	0.454	27%	0.27	S	S	.	.	H	α-helix	trans	-63.6	-42.9	177.9	0	0	0	0	0	113.6	N700 T706	N700-G702 PolarHBondContact O-N 2.92Å; N700-G702 VanDerWaalsContact O-N 3.09Å; G702-T706 PolarHBondContact O-N 3.16Å; G702-T706 PolarHBondContact O-OG1 3.37Å
703	T	84.3	Confident	86	Confident	64 Å²	64	51.5 Å²	51.5	39%	0.393	29%	0.29	S	S	.	.	H	α-helix	trans	-80	-28	178.3	46.3	0	0	0	0	112	N700 T707	N700-T703 PolarHBondContact O-N 3.02Å; N700-T703 PolarHBondContact O-OG1 3.36Å; T703-T707 VanDerWaalsContact O-CB 3.25Å; T703-T707 WeakPolarHBondContact O-CB 3.44Å; T703-T707 PolarHBondContact O-N 3.42Å; T703-T707 PolarHBondContact O-OG1 3.37Å
704	F	87.6	Confident	86.2	Confident	11 Å²	11	55.9 Å²	55.9	5%	0.048	31%	0.31	C	S	.	.	H	α-helix	trans	-57.4	-58.4	167.9	175.5	-85.6	0	0	0	110.5	Y692 A695 A696 T698 N700 T706 T707 V708 N930 D931 L934	Y692-F704 HydrophobicContact CE2-CE2 4.48Å; A695-F704 HydrophobicContact CB-CD2 3.83Å; A695-F704 HydrophobicContact CB-CE2 3.84Å; A695-F704 HydrophobicContact CB-CG 4.46Å; A695-F704 HydrophobicContact CB-CZ 4.47Å; A695-F704 WeakPolarHBondContact O-CD2 3.32Å; A696-F704 HydrophobicContact CB-CE2 4.37Å; T698-F704 WeakPolarHBondContact OG1-CA 3.14Å; T698-F704 WeakPolarHBondContact OG1-CB 3.41Å; T698-F704 PolarHBondContact OG1-N 2.99Å; N700-F704 PolarHBondContact O-N 3.17Å; F704-T706 VanDerWaalsContact C-N 3.32Å; F704-T706 PolarHBondContact O-N 2.98Å; F704-T707 WeakPolarHBondContact O-CB 3.49Å; F704-T707 PolarHBondContact O-N 3.01Å; F704-T707 VanDerWaalsContact O-N 3.1Å; F704-V708 HydrophobicContact CD1-CG2 4.06Å; F704-V708 HydrophobicContact CE1-CG2 3.72Å; F704-V708 HydrophobicContact CE2-CG2 4.48Å; F704-V708 HydrophobicContact CZ-CG2 3.95Å; F704-V708 WeakPolarHBondContact O-CG2 3.41Å; F704-V708 PolarHBondContact O-N 3.37Å; F704-N930 HydrophobicContact CD1-CB 3.69Å; F704-N930 HydrophobicContact CE1-CB 3.62Å; F704-N930 HydrophobicContact CZ-CB 4.42Å; F704-D931 VanDerWaalsContact CE2-OD1 3.31Å; F704-D931 WeakPolarHBondContact CE2-OD1 3.42Å; F704-D931 WeakPolarHBondContact CZ-OD1 3.41Å; F704-L934 HydrophobicContact CZ-CD2 4.28Å
705	N	87.4	Confident	86.5	Confident	25 Å²	25	54 Å²	54	13%	0.134	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-41.1	-177.1	-80.7	-77	0	0	0	111.9	S701 T707 V708 D709 N930	S701-N705 PolarHBondContact O-N 3.32Å; S701-N705 PolarHBondContact O-ND2 2.89Å; N705-T707 VanDerWaalsContact C-N 3.34Å; N705-T707 PolarHBondContact O-N 2.88Å; N705-V708 PolarHBondContact O-N 3.23Å; N705-D709 WeakPolarHBondContact O-CB 3.43Å; N705-D709 PolarHBondContact O-N 3.22Å; N705-N930 PolarHBondContact ND2-OD1 2.88Å
706	T	89.8	Confident	86.6	Confident	82 Å²	82	54.1 Å²	54.1	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-64.6	-39.4	177.3	-58.4	0	0	0	0	111.6	G702 F704 I710	G702-T706 PolarHBondContact O-N 3.16Å; G702-T706 PolarHBondContact O-OG1 3.37Å; F704-T706 VanDerWaalsContact C-N 3.32Å; F704-T706 PolarHBondContact O-N 2.98Å; T706-I710 HydrophobicContact CG2-CD1 3.96Å; T706-I710 WeakPolarHBondContact O-CD1 3.48Å; T706-I710 VanDerWaalsContact O-CG1 3.26Å; T706-I710 WeakPolarHBondContact O-CG1 3.47Å; T706-I710 PolarHBondContact O-N 2.86Å; T706-I710 VanDerWaalsContact O-N 3.13Å
707	T	89.8	Confident	86.8	Confident	37 Å²	37	55.2 Å²	55.2	23%	0.227	30%	0.298	C	S	.	.	H	α-helix	trans	-67.4	-45	177.3	-61	0	0	0	0	111.2	A695 T703 F704 N705 K711	A695-T707 HydrophobicContact CB-CG2 4.14Å; T703-T707 VanDerWaalsContact O-CB 3.25Å; T703-T707 WeakPolarHBondContact O-CB 3.44Å; T703-T707 PolarHBondContact O-N 3.42Å; T703-T707 PolarHBondContact O-OG1 3.37Å; F704-T707 WeakPolarHBondContact O-CB 3.49Å; F704-T707 PolarHBondContact O-N 3.01Å; F704-T707 VanDerWaalsContact O-N 3.1Å; N705-T707 VanDerWaalsContact C-N 3.34Å; N705-T707 PolarHBondContact O-N 2.88Å; T707-K711 HydrophobicContact CG2-CG 4.46Å; T707-K711 WeakPolarHBondContact O-CB 3.44Å; T707-K711 WeakPolarHBondContact O-CG 3.44Å; T707-K711 PolarHBondContact O-N 3.06Å
708	V	90.8	Very high	87.1	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-55.1	-50.8	173.5	163.1	0	0	0	0	111.1	A695 F704 N705 I710 K711 L712 L934	A695-V708 HydrophobicContact CB-CG2 3.6Å; F704-V708 HydrophobicContact CD1-CG2 4.06Å; F704-V708 HydrophobicContact CE1-CG2 3.72Å; F704-V708 HydrophobicContact CE2-CG2 4.48Å; F704-V708 HydrophobicContact CZ-CG2 3.95Å; F704-V708 WeakPolarHBondContact O-CG2 3.41Å; F704-V708 PolarHBondContact O-N 3.37Å; N705-V708 PolarHBondContact O-N 3.23Å; V708-I710 PolarHBondContact O-N 3.45Å; V708-K711 PolarHBondContact O-N 3.35Å; V708-L712 HydrophobicContact CG1-CD1 3.58Å; V708-L712 HydrophobicContact CG1-CG 4.17Å; V708-L712 WeakPolarHBondContact O-CB 3.19Å; V708-L712 WeakPolarHBondContact O-CG 3.11Å; V708-L712 PolarHBondContact O-N 3.3Å; V708-L934 HydrophobicContact CG1-CD1 3.73Å; V708-L934 HydrophobicContact CG2-CD2 4.02Å
709	D	90.6	Very high	87.5	Confident	40 Å²	40	61.2 Å²	61.2	21%	0.214	32%	0.321	C	S	.	.	H	α-helix	trans	-67.1	-40.8	-174.8	-67.8	-18.1	0	0	0	112.3	N705 K711 K713 R788 R937	N705-D709 WeakPolarHBondContact O-CB 3.43Å; N705-D709 PolarHBondContact O-N 3.22Å; D709-K711 VanDerWaalsContact C-N 3.33Å; D709-K711 PolarHBondContact O-N 3.43Å; D709-K713 VanDerWaalsContact O-CB 3.3Å; D709-K713 WeakPolarHBondContact O-CB 3.27Å; D709-K713 PolarHBondContact O-N 3.17Å; D709-R788 IonicContact OD2-CZ 2.65Å; D709-R788 IonicContact OD2-NE 3.16Å; D709-R788 IonicContact OD2-NH2 3.6Å; D709-R788 PolarHBondContact OD2-NH2 3.45Å; D709-R937 IonicContact OD1-CZ 2.98Å; D709-R937 IonicContact OD1-NH1 2.8Å; D709-R937 PolarHBondContact OD1-NH1 3.33Å; D709-R937 IonicContact OD1-NH2 3.04Å; D709-R937 PolarHBondContact OD1-NH2 3.5Å
710	I	91.3	Very high	88.6	Confident	90 Å²	90	53.1 Å²	53.1	46%	0.462	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-43.1	174	-69	168.4	0	0	0	110.6	T706 V708 Q714	T706-I710 HydrophobicContact CG2-CD1 3.96Å; T706-I710 WeakPolarHBondContact O-CD1 3.48Å; T706-I710 VanDerWaalsContact O-CG1 3.26Å; T706-I710 WeakPolarHBondContact O-CG1 3.47Å; T706-I710 PolarHBondContact O-N 2.86Å; T706-I710 VanDerWaalsContact O-N 3.13Å; V708-I710 PolarHBondContact O-N 3.45Å; I710-Q714 WeakPolarHBondContact O-CB 3.4Å; I710-Q714 VanDerWaalsContact O-CG 3.23Å; I710-Q714 WeakPolarHBondContact O-CG 3.43Å; I710-Q714 PolarHBondContact O-N 2.92Å
711	K	92.1	Very high	89.3	Confident	69 Å²	69	48.2 Å²	48.2	30%	0.3	26%	0.255	S	S	.	.	H	α-helix	trans	-69.9	-44.6	-179.8	-71.6	-72.2	-168.4	160.4	0	112.5	N690 I691 T707 V708 D709 Q714 W715	N690-K711 WeakPolarHBondContact O-CD 3.22Å; I691-K711 HydrophobicContact CB-CB 4.47Å; I691-K711 HydrophobicContact CG1-CB 3.99Å; I691-K711 HydrophobicContact CG2-CB 4.38Å; T707-K711 HydrophobicContact CG2-CG 4.46Å; T707-K711 WeakPolarHBondContact O-CB 3.44Å; T707-K711 WeakPolarHBondContact O-CG 3.44Å; T707-K711 PolarHBondContact O-N 3.06Å; V708-K711 PolarHBondContact O-N 3.35Å; D709-K711 VanDerWaalsContact C-N 3.33Å; D709-K711 PolarHBondContact O-N 3.43Å; K711-Q714 PolarHBondContact O-N 2.62Å; K711-W715 WeakPolarHBondContact O-CB 3.34Å; K711-W715 PolarHBondContact O-N 3.36Å; K711-W715 VanDerWaalsContact O-N 3.11Å
712	L	92.6	Very high	90.1	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-46.9	175	-74.3	174.7	0	0	0	110.8	I691 V708 W715 T716 L785 L934 I938	I691-L712 HydrophobicContact CD1-CD2 4.01Å; I691-L712 HydrophobicContact CG2-CD2 4.25Å; I691-L712 HydrophobicContact CG2-CG 4.33Å; V708-L712 HydrophobicContact CG1-CD1 3.58Å; V708-L712 HydrophobicContact CG1-CG 4.17Å; V708-L712 WeakPolarHBondContact O-CB 3.19Å; V708-L712 WeakPolarHBondContact O-CG 3.11Å; V708-L712 PolarHBondContact O-N 3.3Å; L712-W715 HydrophobicContact CD2-CE3 3.94Å; L712-W715 HydrophobicContact CD2-CZ3 4.06Å; L712-W715 CarbonylContact O-C 3.6Å; L712-W715 WeakPolarHBondContact O-CB 3.46Å; L712-W715 PolarHBondContact O-N 3.36Å; L712-W715 VanDerWaalsContact O-N 3.1Å; L712-T716 PolarHBondContact O-N 2.76Å; L712-T716 PolarHBondContact O-OG1 3.32Å; L712-L785 HydrophobicContact CD1-CD2 4.39Å; L712-L785 HydrophobicContact CD2-CD1 4.32Å; L712-L785 HydrophobicContact CD2-CD2 4.21Å; L712-L934 HydrophobicContact CD1-CD1 4.13Å; L712-I938 HydrophobicContact CD2-CD1 4.47Å; L712-I938 HydrophobicContact CD2-CG1 4.45Å
713	K	91.6	Very high	90.7	Very high	99 Å²	99	49.2 Å²	49.2	43%	0.43	24%	0.244	S	C	.	.	H	α-helix	trans	-62.4	-45.7	177.6	-176.1	153.8	-164.3	139	0	112.7	D709 W715 T716 D717 H782	D709-K713 VanDerWaalsContact O-CB 3.3Å; D709-K713 WeakPolarHBondContact O-CB 3.27Å; D709-K713 PolarHBondContact O-N 3.17Å; K713-W715 PolarHBondContact O-N 2.99Å; K713-W715 VanDerWaalsContact O-N 3.13Å; K713-T716 WeakPolarHBondContact CA-OG1 3.46Å; K713-T716 PolarHBondContact O-N 3.11Å; K713-T716 PolarHBondContact O-OG1 3.19Å; K713-D717 WeakPolarHBondContact CG-OD2 3.27Å; K713-D717 VanDerWaalsContact O-CB 3.3Å; K713-D717 WeakPolarHBondContact O-CB 3.48Å; K713-D717 PolarHBondContact O-N 3.47Å; K713-H782 PolarHBondContact NZ-CE1 3.41Å; K713-H782 VanDerWaalsContact NZ-CE1 3.31Å; K713-H782 PolarHBondContact NZ-NE2 2.88Å
714	Q	92.4	Very high	91.2	Very high	110 Å²	110	46.2 Å²	46.2	51%	0.514	23%	0.226	S	C	.	.	H	α-helix	trans	-59.7	-25.3	175	-75.1	175	9.2	0	0	113.4	I710 K711	I710-Q714 WeakPolarHBondContact O-CB 3.4Å; I710-Q714 VanDerWaalsContact O-CG 3.23Å; I710-Q714 WeakPolarHBondContact O-CG 3.43Å; I710-Q714 PolarHBondContact O-N 2.92Å; K711-Q714 PolarHBondContact O-N 2.62Å
715	W	93.3	Very high	91.5	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-88.2	-41.2	178.9	176.1	56.5	0	0	0	113	V683 H686 V687 I691 K711 L712 K713 D717 Q719 L720 L785 M941	V683-W715 HydrophobicContact CB-CZ2 4.31Å; V683-W715 HydrophobicContact CG1-CH2 3.55Å; V683-W715 HydrophobicContact CG1-CZ2 3.39Å; V683-W715 HydrophobicContact CG2-CZ2 4.01Å; H686-W715 AromaticContact CD2-CD1 3.28Å; H686-W715 AromaticContact CD2-CD2 3.99Å; H686-W715 AromaticContact CD2-CE2 3.88Å; H686-W715 AromaticContact CD2-CG 3.66Å; H686-W715 AromaticContact CD2-NE1 3.46Å; H686-W715 PolarHBondContact CD2-NE1 3.22Å; H686-W715 AromaticContact NE2-CD1 3.42Å; H686-W715 AromaticContact NE2-CG 3.71Å; V687-W715 HydrophobicContact CG2-CH2 4.04Å; V687-W715 HydrophobicContact CG2-CZ3 4.45Å; I691-W715 HydrophobicContact CD1-CD2 4.07Å; I691-W715 HydrophobicContact CD1-CE3 3.77Å; I691-W715 HydrophobicContact CD1-CG 4.46Å; I691-W715 HydrophobicContact CD1-CZ3 4.24Å; K711-W715 WeakPolarHBondContact O-CB 3.34Å; K711-W715 PolarHBondContact O-N 3.36Å; K711-W715 VanDerWaalsContact O-N 3.11Å; L712-W715 HydrophobicContact CD2-CE3 3.94Å; L712-W715 HydrophobicContact CD2-CZ3 4.06Å; L712-W715 CarbonylContact O-C 3.6Å; L712-W715 WeakPolarHBondContact O-CB 3.46Å; L712-W715 PolarHBondContact O-N 3.36Å; L712-W715 VanDerWaalsContact O-N 3.1Å; K713-W715 PolarHBondContact O-N 2.99Å; K713-W715 VanDerWaalsContact O-N 3.13Å; W715-D717 VanDerWaalsContact C-N 3.3Å; W715-D717 PolarHBondContact O-N 2.76Å; W715-Q719 PolarHBondContact O-N 2.93Å; W715-L720 HydrophobicContact CD2-CB 4.13Å; W715-L720 HydrophobicContact CE3-CD2 4.29Å; W715-L720 HydrophobicContact CG-CB 4.47Å; W715-L720 HydrophobicContact CH2-CD1 3.91Å; W715-L720 HydrophobicContact CH2-CD2 4.03Å; W715-L720 HydrophobicContact CH2-CG 4.41Å; W715-L720 HydrophobicContact CZ2-CB 4.11Å; W715-L720 HydrophobicContact CZ2-CD1 3.61Å; W715-L720 HydrophobicContact CZ2-CD2 4.26Å; W715-L720 HydrophobicContact CZ2-CG 4.18Å; W715-L720 HydrophobicContact CZ3-CD2 4.05Å; W715-L720 PolarHBondContact O-N 3.47Å; W715-L785 HydrophobicContact CZ3-CD1 4.4Å; W715-M941 HydrophobicContact CH2-CE 3.62Å; W715-M941 HydrophobicContact CZ3-CE 3.96Å
716	T	91.7	Very high	91.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-41.7	170.9	54.2	0	0	0	0	111.6	L712 K713 K718 L720 P721 H782 L785	L712-T716 PolarHBondContact O-N 2.76Å; L712-T716 PolarHBondContact O-OG1 3.32Å; K713-T716 WeakPolarHBondContact CA-OG1 3.46Å; K713-T716 PolarHBondContact O-N 3.11Å; K713-T716 PolarHBondContact O-OG1 3.19Å; T716-K718 VanDerWaalsContact C-N 3.26Å; T716-K718 PolarHBondContact O-N 2.77Å; T716-L720 HydrophobicContact CG2-CD2 4.23Å; T716-P721 WeakPolarHBondContact O-CD 3.24Å; T716-P721 WeakPolarHBondContact O-CG 3.43Å; T716-H782 PolarHBondContact OG1-ND1 3.23Å; T716-L785 HydrophobicContact CG2-CD1 3.45Å; T716-L785 VanDerWaalsContact CG2-CD1 3.45Å
717	D	89.6	Confident	91.9	Very high	60 Å²	60	45.6 Å²	45.6	32%	0.321	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-11.4	-169.4	-61.6	0.9	0	0	0	112.7	K713 W715 R778 H782	K713-D717 WeakPolarHBondContact CG-OD2 3.27Å; K713-D717 VanDerWaalsContact O-CB 3.3Å; K713-D717 WeakPolarHBondContact O-CB 3.48Å; K713-D717 PolarHBondContact O-N 3.47Å; W715-D717 VanDerWaalsContact C-N 3.3Å; W715-D717 PolarHBondContact O-N 2.76Å; D717-R778 PolarHBondContact O-NH1 3.04Å; D717-H782 IonicContact OD1-ND1 2.9Å
718	K	87.8	Confident	92.1	Very high	158 Å²	158	43.9 Å²	43.9	69%	0.687	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-141.2	-16.4	-167.2	-62.7	-171.9	176.7	-175.6	0	118.1	T716	T716-K718 VanDerWaalsContact C-N 3.26Å; T716-K718 PolarHBondContact O-N 2.77Å
719	Q	91.2	Very high	92.2	Very high	76 Å²	76	46.5 Å²	46.5	36%	0.355	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144.4	-38.3	-173	-65	-169.6	22.8	0	0	115.1	W715 K723	W715-Q719 PolarHBondContact O-N 2.93Å; Q719-K723 HydrophobicContact CB-CD 4.38Å; Q719-K723 WeakPolarHBondContact O-CB 3.41Å; Q719-K723 VanDerWaalsContact O-CG 3.3Å; Q719-K723 WeakPolarHBondContact O-CG 3.32Å; Q719-K723 PolarHBondContact O-N 3.36Å
720	L	92.4	Very high	92.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-43.5	-174.7	172.8	62.8	0	0	0	113.4	V683 W715 T716 K723 A724 Q781 L785 M941	V683-L720 HydrophobicContact CG2-CD1 4.31Å; W715-L720 HydrophobicContact CD2-CB 4.13Å; W715-L720 HydrophobicContact CE3-CD2 4.29Å; W715-L720 HydrophobicContact CG-CB 4.47Å; W715-L720 HydrophobicContact CH2-CD1 3.91Å; W715-L720 HydrophobicContact CH2-CD2 4.03Å; W715-L720 HydrophobicContact CH2-CG 4.41Å; W715-L720 HydrophobicContact CZ2-CB 4.11Å; W715-L720 HydrophobicContact CZ2-CD1 3.61Å; W715-L720 HydrophobicContact CZ2-CD2 4.26Å; W715-L720 HydrophobicContact CZ2-CG 4.18Å; W715-L720 HydrophobicContact CZ3-CD2 4.05Å; W715-L720 PolarHBondContact O-N 3.47Å; T716-L720 HydrophobicContact CG2-CD2 4.23Å; L720-K723 PolarHBondContact O-N 3.16Å; L720-A724 VanDerWaalsContact O-CB 3.27Å; L720-A724 WeakPolarHBondContact O-CB 3.31Å; L720-A724 PolarHBondContact O-N 2.66Å; L720-Q781 HydrophobicContact CD2-CB 3.98Å; L720-Q781 HydrophobicContact CD2-CG 4.02Å; L720-Q781 HydrophobicContact CG-CG 4.47Å; L720-L785 HydrophobicContact CD2-CD1 4.32Å; L720-M941 HydrophobicContact CD1-CE 4.19Å; L720-M941 HydrophobicContact CD1-SD 4.15Å; L720-M941 HydrophobicContact CD2-CE 3.93Å; L720-M941 HydrophobicContact CD2-CG 4.3Å; L720-M941 HydrophobicContact CD2-SD 3.71Å; L720-M941 HydrophobicContact CG-SD 4.48Å
721	P	93.4	Very high	92.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-64.1	-47.8	-179.6	-20.3	31.7	0	0	0	112.2	T716 K723 A724 V725 E774 L777 R778	T716-P721 WeakPolarHBondContact O-CD 3.24Å; T716-P721 WeakPolarHBondContact O-CG 3.43Å; P721-K723 PolarHBondContact O-N 2.97Å; P721-A724 WeakPolarHBondContact O-CB 3.42Å; P721-A724 PolarHBondContact O-N 3.36Å; P721-A724 VanDerWaalsContact O-N 3.14Å; P721-V725 PolarHBondContact O-N 3.34Å; P721-E774 HydrophobicContact CB-CB 4.26Å; P721-E774 WeakPolarHBondContact CB-O 3.32Å; P721-L777 HydrophobicContact CB-CB 4.29Å; P721-R778 HydrophobicContact CB-CB 4.48Å; P721-R778 HydrophobicContact CG-CB 3.84Å; P721-R778 HydrophobicContact CG-CG 4.04Å
722	N	92.8	Very high	92.4	Very high	50 Å²	50	40.3 Å²	40.3	27%	0.267	19%	0.186	S	C	.	.	H	α-helix	trans	-58.1	-49.1	178	-52.5	78.7	0	0	0	111.1	A724 V725 E726 E774	N722-A724 VanDerWaalsContact C-N 3.27Å; N722-A724 PolarHBondContact O-N 2.95Å; N722-V725 PolarHBondContact O-N 2.88Å; N722-V725 VanDerWaalsContact O-N 3.16Å; N722-E726 WeakPolarHBondContact O-CG 3.46Å; N722-E726 PolarHBondContact O-N 2.86Å; N722-E774 PolarHBondContact ND2-OE1 3.11Å; N722-E774 PolarHBondContact ND2-OE2 3.37Å
723	K	92.4	Very high	92.4	Very high	53 Å²	53	43.4 Å²	43.4	23%	0.23	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-30.3	177.2	-73.7	173.2	176.1	176.5	0	113.3	Q719 L720 P721 V727	Q719-K723 HydrophobicContact CB-CD 4.38Å; Q719-K723 WeakPolarHBondContact O-CB 3.41Å; Q719-K723 VanDerWaalsContact O-CG 3.3Å; Q719-K723 WeakPolarHBondContact O-CG 3.32Å; Q719-K723 PolarHBondContact O-N 3.36Å; L720-K723 PolarHBondContact O-N 3.16Å; P721-K723 PolarHBondContact O-N 2.97Å; K723-V727 WeakPolarHBondContact O-CG2 3.38Å; K723-V727 PolarHBondContact O-N 3.06Å; K723-V727 VanDerWaalsContact O-N 3.1Å
724	A	94.1	Very high	92.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-71.7	-37.6	174.9	0	0	0	0	0	111.7	L679 L720 P721 N722 A728 L777 T945 L949	L679-A724 HydrophobicContact CD1-CB 4.05Å; L720-A724 VanDerWaalsContact O-CB 3.27Å; L720-A724 WeakPolarHBondContact O-CB 3.31Å; L720-A724 PolarHBondContact O-N 2.66Å; P721-A724 WeakPolarHBondContact O-CB 3.42Å; P721-A724 PolarHBondContact O-N 3.36Å; P721-A724 VanDerWaalsContact O-N 3.14Å; N722-A724 VanDerWaalsContact C-N 3.27Å; N722-A724 PolarHBondContact O-N 2.95Å; A724-A728 WeakPolarHBondContact O-CB 3.22Å; A724-A728 PolarHBondContact O-N 2.74Å; A724-L777 HydrophobicContact CB-CD1 4.37Å; A724-T945 HydrophobicContact CB-CG2 3.94Å; A724-L949 HydrophobicContact CB-CD1 4.24Å
725	V	93.6	Very high	92.3	Very high	15 Å²	15	40.5 Å²	40.5	9%	0.091	19%	0.188	C	C	.	.	H	α-helix	trans	-69.9	-42.1	172.1	174.7	0	0	0	0	111.7	P721 N722 V727 A728 W729 W769 A773 E774 L777	P721-V725 PolarHBondContact O-N 3.34Å; N722-V725 PolarHBondContact O-N 2.88Å; N722-V725 VanDerWaalsContact O-N 3.16Å; V725-V727 PolarHBondContact O-N 3.31Å; V725-A728 PolarHBondContact O-N 2.8Å; V725-W729 WeakPolarHBondContact O-CB 3.24Å; V725-W729 PolarHBondContact O-N 2.66Å; V725-W769 HydrophobicContact CG1-CB 4.14Å; V725-W769 HydrophobicContact CG1-CD2 4.1Å; V725-W769 HydrophobicContact CG1-CG 3.67Å; V725-A773 HydrophobicContact CG2-CB 4.17Å; V725-E774 HydrophobicContact CG2-CG 4.01Å; V725-L777 HydrophobicContact CG2-CD1 3.64Å
726	E	92.9	Very high	92.2	Very high	90 Å²	90	40.4 Å²	40.4	42%	0.421	19%	0.188	S	C	.	.	H	α-helix	trans	-53	-52.4	172.9	-74.6	170.5	-176.6	0	0	111.1	R682 N722 A728 W729 E730	R682-E726 IonicContact NH1-OE2 2.63Å; N722-E726 WeakPolarHBondContact O-CG 3.46Å; N722-E726 PolarHBondContact O-N 2.86Å; E726-A728 PolarHBondContact O-N 3.12Å; E726-W729 PolarHBondContact O-N 2.78Å; E726-E730 WeakPolarHBondContact O-CB 3.45Å; E726-E730 VanDerWaalsContact O-CG 3.29Å; E726-E730 WeakPolarHBondContact O-CG 3.41Å; E726-E730 PolarHBondContact O-N 2.82Å
727	V	94.2	Very high	92.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-37.6	179.4	168.5	0	0	0	0	112.3	L679 R682 K723 V725 W729 E730 T731	L679-V727 HydrophobicContact CB-CG1 4.37Å; R682-V727 HydrophobicContact CB-CG2 3.78Å; R682-V727 HydrophobicContact CG-CG2 3.76Å; K723-V727 WeakPolarHBondContact O-CG2 3.38Å; K723-V727 PolarHBondContact O-N 3.06Å; K723-V727 VanDerWaalsContact O-N 3.1Å; V725-V727 PolarHBondContact O-N 3.31Å; V727-W729 VanDerWaalsContact C-N 3.3Å; V727-W729 PolarHBondContact O-N 3.13Å; V727-E730 PolarHBondContact O-N 3.46Å; V727-T731 HydrophobicContact CG1-CG2 4.35Å; V727-T731 WeakPolarHBondContact O-CB 3.47Å; V727-T731 WeakPolarHBondContact O-CG2 3.19Å; V727-T731 PolarHBondContact O-N 3.49Å; V727-T731 PolarHBondContact O-OG1 3.05Å
728	A	93.4	Very high	92.1	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.9	-32.7	176.4	0	0	0	0	0	112.8	L675 A724 V725 E726 T731 L732 W769 L949	L675-A728 HydrophobicContact CD2-CB 4.13Å; A724-A728 WeakPolarHBondContact O-CB 3.22Å; A724-A728 PolarHBondContact O-N 2.74Å; V725-A728 PolarHBondContact O-N 2.8Å; E726-A728 PolarHBondContact O-N 3.12Å; A728-T731 PolarHBondContact O-OG1 3.02Å; A728-L732 VanDerWaalsContact O-CB 3.32Å; A728-L732 WeakPolarHBondContact O-CB 3.44Å; A728-L732 PolarHBondContact O-N 3.01Å; A728-W769 HydrophobicContact CB-CH2 3.54Å; A728-W769 HydrophobicContact CB-CZ2 3.83Å; A728-W769 HydrophobicContact CB-CZ3 4.19Å; A728-L949 HydrophobicContact CB-CD1 4.11Å; A728-L949 HydrophobicContact CB-CD2 3.74Å; A728-L949 HydrophobicContact CB-CG 4.34Å
729	W	92.8	Very high	92	Very high	56 Å²	56	38.1 Å²	38.1	21%	0.212	18%	0.176	C	C	.	.	H	α-helix	trans	-74.1	-46.9	173.2	173.7	-122.3	0	0	0	112.1	V725 E726 V727 T731 L732 Q733 I764 H767 W769	V725-W729 WeakPolarHBondContact O-CB 3.24Å; V725-W729 PolarHBondContact O-N 2.66Å; E726-W729 PolarHBondContact O-N 2.78Å; V727-W729 VanDerWaalsContact C-N 3.3Å; V727-W729 PolarHBondContact O-N 3.13Å; W729-T731 PolarHBondContact O-N 3.46Å; W729-L732 HydrophobicContact CE3-CD2 4.21Å; W729-L732 HydrophobicContact CZ3-CD2 4.15Å; W729-L732 HydrophobicContact CZ3-CG 4.47Å; W729-L732 PolarHBondContact O-N 3.24Å; W729-Q733 WeakPolarHBondContact O-CB 3.47Å; W729-Q733 PolarHBondContact O-N 3.43Å; W729-I764 HydrophobicContact CH2-CG2 4.39Å; W729-I764 HydrophobicContact CZ2-CG2 3.86Å; W729-H767 AromaticContact CE3-CD2 3.47Å; W729-H767 VanDerWaalsContact CE3-CD2 3.47Å; W729-H767 AromaticContact CE3-NE2 3.85Å; W729-H767 HydrophobicContact CH2-CB 3.48Å; W729-H767 VanDerWaalsContact CH2-CB 3.48Å; W729-H767 AromaticContact CH2-CD2 3.52Å; W729-H767 AromaticContact CH2-CG 3.58Å; W729-H767 HydrophobicContact CZ2-CB 4.19Å; W729-H767 HydrophobicContact CZ3-CB 3.94Å; W729-H767 AromaticContact CZ3-CD2 3.11Å; W729-H767 WeakPolarHBondContact CZ3-CD2 3.45Å; W729-H767 AromaticContact CZ3-CG 3.46Å; W729-H767 VanDerWaalsContact CZ3-CG 3.46Å; W729-H767 AromaticContact CZ3-NE2 3.71Å; W729-W769 HydrophobicContact CB-CE3 4.19Å; W729-W769 HydrophobicContact CB-CZ3 4.46Å; W729-W769 HydrophobicContact CE3-CE3 4.4Å
730	E	93	Very high	91.6	Very high	66 Å²	66	34.8 Å²	34.8	31%	0.308	16%	0.161	S	C	.	.	H	α-helix	trans	-57.2	-48.3	176.9	-72.7	167.8	-172.8	0	0	111.5	R682 E726 V727 L732 Q733 E734	R682-E730 IonicContact CZ-OE1 2.61Å; R682-E730 VanDerWaalsContact CZ-OE1 3.29Å; R682-E730 IonicContact CZ-OE2 2.99Å; R682-E730 IonicContact NH1-OE1 3.6Å; R682-E730 PolarHBondContact NH1-OE1 3.21Å; R682-E730 IonicContact NH1-OE2 3.98Å; R682-E730 IonicContact NH2-OE1 2.67Å; R682-E730 PolarHBondContact NH2-OE1 3.41Å; R682-E730 IonicContact NH2-OE2 3.74Å; R682-E730 PolarHBondContact NH2-OE2 3.17Å; E726-E730 WeakPolarHBondContact O-CB 3.45Å; E726-E730 VanDerWaalsContact O-CG 3.29Å; E726-E730 WeakPolarHBondContact O-CG 3.41Å; E726-E730 PolarHBondContact O-N 2.82Å; V727-E730 PolarHBondContact O-N 3.46Å; E730-L732 PolarHBondContact O-N 2.97Å; E730-Q733 WeakPolarHBondContact O-CB 3.32Å; E730-Q733 PolarHBondContact O-N 3.11Å; E730-Q733 VanDerWaalsContact O-N 3.16Å; E730-E734 WeakPolarHBondContact O-CG 3.39Å; E730-E734 PolarHBondContact O-N 3.49Å
731	T	92.9	Very high	91.1	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-66.7	-35.6	179	50	0	0	0	0	113.1	I674 L675 V727 A728 W729 E735	I674-T731 HydrophobicContact CG2-CG2 3.71Å; L675-T731 WeakPolarHBondContact CD2-OG1 3.4Å; V727-T731 HydrophobicContact CG1-CG2 4.35Å; V727-T731 WeakPolarHBondContact O-CB 3.47Å; V727-T731 WeakPolarHBondContact O-CG2 3.19Å; V727-T731 PolarHBondContact O-N 3.49Å; V727-T731 PolarHBondContact O-OG1 3.05Å; A728-T731 PolarHBondContact O-OG1 3.02Å; W729-T731 PolarHBondContact O-N 3.46Å; T731-E735 PolarHBondContact O-N 2.98Å; T731-E735 VanDerWaalsContact O-N 3.11Å
732	L	92.3	Very high	90.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-39.5	171.1	179.9	59.6	0	0	0	111.6	L663 W671 A728 W729 E730 F736 W769 L953 E957 V958 L961	L663-L732 HydrophobicContact CD2-CD1 4.21Å; W671-L732 HydrophobicContact CH2-CD1 4.01Å; A728-L732 VanDerWaalsContact O-CB 3.32Å; A728-L732 WeakPolarHBondContact O-CB 3.44Å; A728-L732 PolarHBondContact O-N 3.01Å; W729-L732 HydrophobicContact CE3-CD2 4.21Å; W729-L732 HydrophobicContact CZ3-CD2 4.15Å; W729-L732 HydrophobicContact CZ3-CG 4.47Å; W729-L732 PolarHBondContact O-N 3.24Å; E730-L732 PolarHBondContact O-N 2.97Å; L732-F736 WeakPolarHBondContact O-CB 3.38Å; L732-F736 PolarHBondContact O-N 3.42Å; L732-W769 HydrophobicContact CD2-CZ3 4.09Å; L732-L953 HydrophobicContact CB-CD1 4.1Å; L732-L953 HydrophobicContact CD1-CD1 4.37Å; L732-L953 HydrophobicContact CD1-CG 4.37Å; L732-E957 HydrophobicContact CD2-CB 4.29Å; L732-V958 HydrophobicContact CD1-CG2 3.9Å; L732-L961 HydrophobicContact CD1-CD2 4.23Å; L732-L961 HydrophobicContact CD2-CD2 4.47Å; L732-L961 HydrophobicContact CG-CD2 4.24Å
733	Q	92.3	Very high	89	Confident	69 Å²	69	45.1 Å²	45.1	32%	0.322	22%	0.222	S	C	.	.	H	α-helix	trans	-67.2	-40	176.8	-178.8	-179.9	-13.6	0	0	112	W729 E730 S737 I764	W729-Q733 WeakPolarHBondContact O-CB 3.47Å; W729-Q733 PolarHBondContact O-N 3.43Å; E730-Q733 WeakPolarHBondContact O-CB 3.32Å; E730-Q733 PolarHBondContact O-N 3.11Å; E730-Q733 VanDerWaalsContact O-N 3.16Å; Q733-S737 VanDerWaalsContact O-CB 3.22Å; Q733-S737 WeakPolarHBondContact O-CB 3.25Å; Q733-S737 PolarHBondContact O-N 3.4Å; Q733-S737 PolarHBondContact O-OG 3.42Å; Q733-I764 HydrophobicContact CG-CD1 3.87Å; Q733-I764 HydrophobicContact CG-CG1 4.25Å; Q733-I764 HydrophobicContact CG-CG2 4.39Å
734	E	91.6	Very high	87.5	Confident	130 Å²	130	47.8 Å²	47.8	61%	0.607	23%	0.233	S	C	*	.	H	α-helix	trans	-65.4	-52.2	177.5	-75.8	179.9	159.8	0	0	111.6	E730 F736 S737 R738	E730-E734 WeakPolarHBondContact O-CG 3.39Å; E730-E734 PolarHBondContact O-N 3.49Å; E734-F736 PolarHBondContact O-N 2.85Å; E734-S737 PolarHBondContact O-N 3.28Å; E734-R738 WeakPolarHBondContact O-CB 3.44Å; E734-R738 PolarHBondContact O-N 2.98Å
735	E	90.3	Very high	86	Confident	19 Å²	19	50.4 Å²	50.4	9%	0.089	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-40.2	177.5	-79.4	-67.7	121	0	0	111.9	L663 W671 T731 S737 R738 F739	L663-E735 HydrophobicContact CD1-CB 4.14Å; W671-E735 HydrophobicContact CH2-CB 3.89Å; W671-E735 HydrophobicContact CH2-CG 4.19Å; W671-E735 HydrophobicContact CZ3-CB 4.46Å; W671-E735 HydrophobicContact CZ3-CG 4.38Å; T731-E735 PolarHBondContact O-N 2.98Å; T731-E735 VanDerWaalsContact O-N 3.11Å; E735-S737 PolarHBondContact O-N 3.08Å; E735-R738 WeakPolarHBondContact O-CB 3.44Å; E735-R738 PolarHBondContact O-N 3.29Å; E735-R738 VanDerWaalsContact OE1-CD 3.27Å; E735-R738 WeakPolarHBondContact OE1-CD 3.38Å; E735-R738 IonicContact OE1-CZ 3.22Å; E735-R738 IonicContact OE1-NE 2.81Å; E735-R738 IonicContact OE1-NH1 3.23Å; E735-R738 PolarHBondContact OE1-NH1 3.07Å; E735-R738 IonicContact OE2-NH1 2.65Å; E735-R738 PolarHBondContact OE2-NH1 2.99Å; E735-F739 VanDerWaalsContact O-CD2 3.24Å; E735-F739 WeakPolarHBondContact O-CD2 3.29Å; E735-F739 PolarHBondContact O-N 3.41Å
736	F	91.1	Very high	84.2	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.009	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-44.7	172.2	174.3	-121.8	0	0	0	112.2	V660 L663 L732 E734 R738 F739 M740 K760 I764 L961 V965	V660-F736 HydrophobicContact CG2-CE2 4.05Å; L663-F736 HydrophobicContact CD2-CB 4.14Å; L663-F736 HydrophobicContact CD2-CD2 4.25Å; L732-F736 WeakPolarHBondContact O-CB 3.38Å; L732-F736 PolarHBondContact O-N 3.42Å; E734-F736 PolarHBondContact O-N 2.85Å; F736-R738 VanDerWaalsContact C-N 3.27Å; F736-R738 PolarHBondContact O-N 3.02Å; F736-F739 PolarHBondContact O-N 2.9Å; F736-M740 HydrophobicContact CD2-CG 3.88Å; F736-M740 HydrophobicContact CE1-CG 4.45Å; F736-M740 HydrophobicContact CE2-CG 3.49Å; F736-M740 VanDerWaalsContact CE2-CG 3.49Å; F736-M740 HydrophobicContact CE2-SD 3.78Å; F736-M740 HydrophobicContact CZ-CE 4.38Å; F736-M740 HydrophobicContact CZ-CG 3.82Å; F736-M740 HydrophobicContact CZ-SD 4.15Å; F736-M740 WeakPolarHBondContact O-CB 3.49Å; F736-M740 WeakPolarHBondContact O-CG 3.43Å; F736-M740 PolarHBondContact O-N 2.72Å; F736-M740 VanDerWaalsContact O-N 3.07Å; F736-K760 HydrophobicContact CE1-CB 4.31Å; F736-K760 HydrophobicContact CE1-CG 4.25Å; F736-I764 HydrophobicContact CD1-CD1 4.28Å; F736-I764 HydrophobicContact CD1-CG1 4.09Å; F736-I764 HydrophobicContact CE1-CD1 4.39Å; F736-I764 HydrophobicContact CE1-CG1 4.1Å; F736-L961 HydrophobicContact CB-CD2 4.06Å; F736-L961 HydrophobicContact CD1-CD2 4.23Å; F736-L961 HydrophobicContact CD2-CD2 4.14Å; F736-L961 HydrophobicContact CE1-CD1 4.49Å; F736-L961 HydrophobicContact CG-CD2 3.88Å; F736-V965 HydrophobicContact CE2-CG2 4.17Å; F736-V965 HydrophobicContact CZ-CG2 3.88Å
737	S	90.3	Very high	82.7	Confident	31 Å²	31	64.6 Å²	64.6	22%	0.217	32%	0.322	C	S	.	.	H	α-helix	trans	-62.4	-37.3	177.4	-61.3	0	0	0	0	111.7	Q733 E734 E735 M740 T741	Q733-S737 VanDerWaalsContact O-CB 3.22Å; Q733-S737 WeakPolarHBondContact O-CB 3.25Å; Q733-S737 PolarHBondContact O-N 3.4Å; Q733-S737 PolarHBondContact O-OG 3.42Å; E734-S737 PolarHBondContact O-N 3.28Å; E735-S737 PolarHBondContact O-N 3.08Å; S737-M740 PolarHBondContact O-N 3Å; S737-T741 WeakPolarHBondContact O-CB 3.36Å; S737-T741 WeakPolarHBondContact O-CG2 3.42Å; S737-T741 PolarHBondContact O-N 2.72Å; S737-T741 PolarHBondContact O-OG1 2.8Å
738	R	88.8	Confident	81.6	Confident	104 Å²	104	67.3 Å²	67.3	39%	0.392	34%	0.335	S	S	.	.	H	α-helix	trans	-64.7	-50.3	175.5	-178.3	-176.9	174.8	-151.8	-12.1	111.8	E734 E735 F736 M740 T741 E742	E734-R738 WeakPolarHBondContact O-CB 3.44Å; E734-R738 PolarHBondContact O-N 2.98Å; E735-R738 WeakPolarHBondContact O-CB 3.44Å; E735-R738 PolarHBondContact O-N 3.29Å; E735-R738 VanDerWaalsContact OE1-CD 3.27Å; E735-R738 WeakPolarHBondContact OE1-CD 3.38Å; E735-R738 IonicContact OE1-CZ 3.22Å; E735-R738 IonicContact OE1-NE 2.81Å; E735-R738 IonicContact OE1-NH1 3.23Å; E735-R738 PolarHBondContact OE1-NH1 3.07Å; E735-R738 IonicContact OE2-NH1 2.65Å; E735-R738 PolarHBondContact OE2-NH1 2.99Å; F736-R738 VanDerWaalsContact C-N 3.27Å; F736-R738 PolarHBondContact O-N 3.02Å; R738-M740 PolarHBondContact O-N 3.17Å; R738-T741 PolarHBondContact O-N 2.92Å; R738-T741 PolarHBondContact O-OG1 3.48Å; R738-E742 HydrophobicContact CG-CG 3.97Å; R738-E742 WeakPolarHBondContact CG-OE1 3.38Å; R738-E742 IonicContact CZ-OE1 3.11Å; R738-E742 IonicContact NE-OE1 2.64Å; R738-E742 PolarHBondContact NE-OE1 3.16Å; R738-E742 IonicContact NH2-OE1 2.61Å; R738-E742 PolarHBondContact NH2-OE1 2.86Å; R738-E742 PolarHBondContact O-N 2.65Å
739	F	86.2	Confident	80.7	Confident	35 Å²	35	68.2 Å²	68.2	15%	0.154	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-29.3	175.9	-83.6	-72	0	0	0	113.6	S662 L663 V666 E735 F736	S662-F739 VanDerWaalsContact OG-CD1 3.31Å; S662-F739 WeakPolarHBondContact OG-CD1 3.17Å; L663-F739 HydrophobicContact CB-CD2 4.22Å; L663-F739 HydrophobicContact CD1-CD2 3.79Å; L663-F739 HydrophobicContact CD1-CE2 3.98Å; V666-F739 HydrophobicContact CG2-CE2 3.58Å; V666-F739 HydrophobicContact CG2-CZ 3.69Å; E735-F739 VanDerWaalsContact O-CD2 3.24Å; E735-F739 WeakPolarHBondContact O-CD2 3.29Å; E735-F739 PolarHBondContact O-N 3.41Å; F736-F739 PolarHBondContact O-N 2.9Å
740	M	83.8	Confident	80.1	Confident	7 Å²	7	71.2 Å²	71.2	3%	0.034	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.9	176.5	-64.6	-72.8	-69.5	0	0	114.1	I656 F736 S737 R738 K756 V759 K760	I656-M740 HydrophobicContact CG1-CE 4.31Å; I656-M740 HydrophobicContact CG2-CE 3.99Å; I656-M740 HydrophobicContact CG2-SD 4.13Å; F736-M740 HydrophobicContact CD2-CG 3.88Å; F736-M740 HydrophobicContact CE1-CG 4.45Å; F736-M740 HydrophobicContact CE2-CG 3.49Å; F736-M740 VanDerWaalsContact CE2-CG 3.49Å; F736-M740 HydrophobicContact CE2-SD 3.78Å; F736-M740 HydrophobicContact CZ-CE 4.38Å; F736-M740 HydrophobicContact CZ-CG 3.82Å; F736-M740 HydrophobicContact CZ-SD 4.15Å; F736-M740 WeakPolarHBondContact O-CB 3.49Å; F736-M740 WeakPolarHBondContact O-CG 3.43Å; F736-M740 PolarHBondContact O-N 2.72Å; F736-M740 VanDerWaalsContact O-N 3.07Å; S737-M740 PolarHBondContact O-N 3Å; R738-M740 PolarHBondContact O-N 3.17Å; M740-K756 HydrophobicContact CE-CB 4Å; M740-K756 HydrophobicContact CE-CG 4.42Å; M740-K756 VanDerWaalsContact CE-O 3.23Å; M740-K756 WeakPolarHBondContact CE-O 3.33Å; M740-V759 HydrophobicContact CE-CG1 4.44Å; M740-K760 HydrophobicContact CE-CB 4.29Å
741	T	81.1	Confident	79.7	Confident	90 Å²	90	69.2 Å²	69.2	55%	0.552	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.3	-15.5	-176.8	56.3	0	0	0	0	115.8	S737 R738 P743	S737-T741 WeakPolarHBondContact O-CB 3.36Å; S737-T741 WeakPolarHBondContact O-CG2 3.42Å; S737-T741 PolarHBondContact O-N 2.72Å; S737-T741 PolarHBondContact O-OG1 2.8Å; R738-T741 PolarHBondContact O-N 2.92Å; R738-T741 PolarHBondContact O-OG1 3.48Å; T741-P743 VanDerWaalsContact O-CD 3.28Å; T741-P743 WeakPolarHBondContact O-CD 3.42Å
742	E	76.9	Confident	79.4	Confident	85 Å²	85	69 Å²	69	40%	0.397	35%	0.35	S	S	.	.	S	Bend	trans	-70.1	115.5	170.6	-77.4	-172.2	176.2	0	0	110.4	R738 K744	R738-E742 HydrophobicContact CG-CG 3.97Å; R738-E742 WeakPolarHBondContact CG-OE1 3.38Å; R738-E742 IonicContact CZ-OE1 3.11Å; R738-E742 IonicContact NE-OE1 2.64Å; R738-E742 PolarHBondContact NE-OE1 3.16Å; R738-E742 IonicContact NH2-OE1 2.61Å; R738-E742 PolarHBondContact NH2-OE1 2.86Å; R738-E742 PolarHBondContact O-N 2.65Å; E742-K744 PolarHBondContact O-N 3.48Å; E742-K744 VanDerWaalsContact O-N 3.08Å
743	P	65.4	Low	79.2	Confident	91 Å²	91	72.1 Å²	72.1	59%	0.591	37%	0.366	S	S	*	.			trans	-72.6	106.5	-177.7	28.7	-34	0	0	0	110.8	T741 G745 H748	T741-P743 VanDerWaalsContact O-CD 3.28Å; T741-P743 WeakPolarHBondContact O-CD 3.42Å; P743-G745 VanDerWaalsContact C-N 3.31Å; P743-G745 PolarHBondContact O-N 3.25Å; P743-H748 HydrophobicContact CB-CB 4.4Å
744	K	61.6	Low	79.1	Confident	110 Å²	110	74.2 Å²	74.2	48%	0.478	37%	0.374	S	S	.	.			trans	-76.2	73.9	-174.9	-72.7	175.2	178.1	172.3	0	112.9	S662 E742	S662-K744 PolarHBondContact OG-NZ 3.29Å; S662-K744 VanDerWaalsContact OG-NZ 3.11Å; E742-K744 PolarHBondContact O-N 3.48Å; E742-K744 VanDerWaalsContact O-N 3.08Å
745	G	61.6	Low	79	Confident	55 Å²	55	68 Å²	68	57%	0.567	35%	0.346	S	S	*	.	S	Bend	trans	100.2	-156.8	163.8	0	0	0	0	0	115.6	P743	P743-G745 VanDerWaalsContact C-N 3.31Å; P743-G745 PolarHBondContact O-N 3.25Å
746	K	56.8	Low	79.1	Confident	221 Å²	221	67.5 Å²	67.5	96%	0.961	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.3	-171.8	-67.5	-175.8	179.4	177.5	0	114.7
747	E	61.1	Low	79.1	Confident	181 Å²	181	72 Å²	72	85%	0.846	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	25.9	-177.6	-58.3	-166.8	162.2	0	0	112.3
748	H	70.1	Confident	79.1	Confident	59 Å²	59	71.6 Å²	71.6	27%	0.273	36%	0.362	S	S	.	.			trans	-56.6	143.2	169.3	-171.3	67.3	0	0	0	110.8	P743 D750 D753	P743-H748 HydrophobicContact CB-CB 4.4Å; H748-D750 IonicContact CD2-OD1 3.55Å; H748-D750 PolarHBondContact CD2-OD1 2.96Å; H748-D753 IonicContact CE1-OD1 3.69Å; H748-D753 PolarHBondContact CE1-OD1 3.08Å; H748-D753 IonicContact CE1-OD2 3.13Å; H748-D753 VanDerWaalsContact NE2-CG 3.34Å; H748-D753 IonicContact NE2-OD1 3.47Å; H748-D753 PolarHBondContact NE2-OD1 3.41Å; H748-D753 IonicContact NE2-OD2 2.77Å; H748-D753 PolarHBondContact NE2-OD2 3.16Å
749	D	74.9	Confident	79.3	Confident	18 Å²	18	66.6 Å²	66.6	10%	0.096	34%	0.344	C	S	.	.			trans	-129.2	85.7	-170.3	-165.9	-2.7	0	0	0	109.7	K651 I751 F752 R987	K651-D749 IonicContact NZ-OD2 2.68Å; K651-D749 PolarHBondContact NZ-OD2 3.45Å; D749-I751 PolarHBondContact O-N 3.49Å; D749-F752 HydrophobicContact CB-CD2 4.05Å; D749-F752 HydrophobicContact CB-CE2 4.09Å; D749-F752 PolarHBondContact O-N 2.87Å; D749-R987 VanDerWaalsContact CG-NH2 3.27Å; D749-R987 IonicContact OD1-CZ 3.62Å; D749-R987 VanDerWaalsContact OD1-CZ 3.23Å; D749-R987 IonicContact OD1-NH1 3.48Å; D749-R987 PolarHBondContact OD1-NH1 2.85Å; D749-R987 IonicContact OD1-NH2 2.71Å; D749-R987 PolarHBondContact OD1-NH2 2.67Å; D749-R987 IonicContact OD2-CZ 2.67Å; D749-R987 IonicContact OD2-NH1 3.62Å; D749-R987 IonicContact OD2-NH2 3.75Å; D749-R987 PolarHBondContact OD2-NH2 2.96Å
750	D	80.2	Confident	79.6	Confident	120 Å²	120	66.2 Å²	66.2	64%	0.642	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	-18.7	-172.7	-46	-9.4	0	0	0	115.5	H748 F752	H748-D750 IonicContact CD2-OD1 3.55Å; H748-D750 PolarHBondContact CD2-OD1 2.96Å; D750-F752 PolarHBondContact O-N 3.42Å
751	I	84.8	Confident	80	Confident	23 Å²	23	71.6 Å²	71.6	12%	0.118	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.3	175.3	-55.1	-160.4	0	0	0	111.6	D749 L983 R987 V988	D749-I751 PolarHBondContact O-N 3.49Å; I751-L983 HydrophobicContact CG2-CD2 4.15Å; I751-R987 HydrophobicContact CD1-CB 3.94Å; I751-R987 VanDerWaalsContact CD1-CZ 3.45Å; I751-V988 HydrophobicContact CD1-CG2 3.92Å; I751-V988 HydrophobicContact CG2-CG2 3.88Å
752	F	87.6	Confident	80.6	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.35	C	S	.	.	S	Bend	trans	-87.1	-20.3	-177.5	-58.6	-18.7	0	0	0	113.7	L648 K651 A652 E655 D749 D750 K754 L755 K756 L983	L648-F752 HydrophobicContact CB-CE1 4.37Å; L648-F752 HydrophobicContact CD2-CE1 4.28Å; L648-F752 HydrophobicContact CD2-CZ 4.4Å; K651-F752 HydrophobicContact CB-CZ 4.15Å; K651-F752 HydrophobicContact CD-CE2 3.9Å; K651-F752 HydrophobicContact CD-CZ 3.75Å; K651-F752 HydrophobicContact CG-CE2 3.99Å; K651-F752 HydrophobicContact CG-CZ 3.92Å; A652-F752 HydrophobicContact CB-CB 4.31Å; A652-F752 HydrophobicContact CB-CD1 3.62Å; A652-F752 HydrophobicContact CB-CD2 3.96Å; A652-F752 HydrophobicContact CB-CE1 3.81Å; A652-F752 HydrophobicContact CB-CE2 4.11Å; A652-F752 HydrophobicContact CB-CG 3.71Å; A652-F752 HydrophobicContact CB-CZ 4.04Å; E655-F752 WeakPolarHBondContact OE2-CD2 3.46Å; E655-F752 WeakPolarHBondContact OE2-CE2 3.41Å; D749-F752 HydrophobicContact CB-CD2 4.05Å; D749-F752 HydrophobicContact CB-CE2 4.09Å; D749-F752 PolarHBondContact O-N 2.87Å; D750-F752 PolarHBondContact O-N 3.42Å; F752-K754 VanDerWaalsContact C-N 3.28Å; F752-K754 PolarHBondContact O-N 2.99Å; F752-L755 CarbonylContact O-C 3.46Å; F752-L755 WeakPolarHBondContact O-CA 3.5Å; F752-L755 WeakPolarHBondContact O-CB 3.16Å; F752-L755 PolarHBondContact O-N 3.3Å; F752-K756 PolarHBondContact O-N 3Å; F752-L983 HydrophobicContact CD1-CD2 4.07Å; F752-L983 HydrophobicContact CE1-CD2 4.47Å
753	D	87.5	Confident	81.3	Confident	65 Å²	65	65.3 Å²	65.3	35%	0.348	33%	0.331	S	S	.	.	H	α-helix	trans	-58.7	-38.6	-172.7	-65.9	-20.1	0	0	0	112.9	H748 L755 K756 E757	H748-D753 IonicContact CE1-OD1 3.69Å; H748-D753 PolarHBondContact CE1-OD1 3.08Å; H748-D753 IonicContact CE1-OD2 3.13Å; H748-D753 VanDerWaalsContact NE2-CG 3.34Å; H748-D753 IonicContact NE2-OD1 3.47Å; H748-D753 PolarHBondContact NE2-OD1 3.41Å; H748-D753 IonicContact NE2-OD2 2.77Å; H748-D753 PolarHBondContact NE2-OD2 3.16Å; D753-L755 VanDerWaalsContact C-N 3.31Å; D753-L755 PolarHBondContact O-N 3.28Å; D753-K756 PolarHBondContact O-N 2.89Å; D753-E757 VanDerWaalsContact O-CB 3.31Å; D753-E757 WeakPolarHBondContact O-CB 3.19Å; D753-E757 PolarHBondContact O-N 3.42Å
754	K	89.3	Confident	82.5	Confident	112 Å²	112	62.3 Å²	62.3	49%	0.487	31%	0.31	S	S	.	.	H	α-helix	trans	-65.1	-33.6	174.4	-63.2	-179	-175.9	179.2	0	113.2	F752 A758 T984	F752-K754 VanDerWaalsContact C-N 3.28Å; F752-K754 PolarHBondContact O-N 2.99Å; K754-A758 WeakPolarHBondContact O-CB 3.47Å; K754-A758 PolarHBondContact O-N 3.18Å; K754-A758 VanDerWaalsContact O-N 3.08Å; K754-T984 PolarHBondContact NZ-OG1 3.03Å
755	L	90.9	Very high	83.9	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-76.5	-43.1	176.6	179	59.9	0	0	0	110.3	F649 A652 I656 F752 D753 E757 A758 V759 F972 L982 L983	F649-L755 HydrophobicContact CD2-CD2 3.86Å; F649-L755 HydrophobicContact CE2-CD1 4.01Å; F649-L755 HydrophobicContact CE2-CD2 3.98Å; A652-L755 HydrophobicContact CB-CD2 3.72Å; I656-L755 HydrophobicContact CD1-CG 4.26Å; F752-L755 CarbonylContact O-C 3.46Å; F752-L755 WeakPolarHBondContact O-CA 3.5Å; F752-L755 WeakPolarHBondContact O-CB 3.16Å; F752-L755 PolarHBondContact O-N 3.3Å; D753-L755 VanDerWaalsContact C-N 3.31Å; D753-L755 PolarHBondContact O-N 3.28Å; L755-E757 VanDerWaalsContact C-N 3.32Å; L755-E757 PolarHBondContact O-N 2.94Å; L755-A758 PolarHBondContact O-N 3.47Å; L755-V759 HydrophobicContact CD1-CG2 3.89Å; L755-V759 HydrophobicContact CG-CG2 4.37Å; L755-V759 VanDerWaalsContact O-CB 3.32Å; L755-V759 WeakPolarHBondContact O-CB 3.39Å; L755-V759 WeakPolarHBondContact O-CG2 3.49Å; L755-V759 PolarHBondContact O-N 3.25Å; L755-F972 HydrophobicContact CD1-CD2 3.88Å; L755-F972 HydrophobicContact CD1-CE2 4.49Å; L755-L982 HydrophobicContact CD1-CD1 3.75Å; L755-L983 HydrophobicContact CB-CD2 4.5Å; L755-L983 HydrophobicContact CD2-CD2 4.15Å
756	K	90.9	Very high	85.3	Confident	7 Å²	7	66.1 Å²	66.1	3%	0.03	31%	0.308	C	S	.	.	H	α-helix	trans	-55.9	-46.7	171.9	-68.2	-169.8	178.9	-177.8	0	111	E655 I656 E659 M740 F752 D753 K760	E655-K756 VanDerWaalsContact OE1-CE 3.29Å; E655-K756 WeakPolarHBondContact OE1-CE 3.36Å; E655-K756 IonicContact OE1-NZ 2.78Å; E655-K756 PolarHBondContact OE1-NZ 2.77Å; I656-K756 HydrophobicContact CD1-CG 4Å; I656-K756 HydrophobicContact CG1-CG 3.87Å; E659-K756 VanDerWaalsContact CD-NZ 3.34Å; E659-K756 IonicContact OE1-NZ 3.8Å; E659-K756 PolarHBondContact OE1-NZ 3.07Å; E659-K756 VanDerWaalsContact OE2-CE 3.26Å; E659-K756 WeakPolarHBondContact OE2-CE 3.11Å; E659-K756 IonicContact OE2-NZ 3.33Å; E659-K756 PolarHBondContact OE2-NZ 2.69Å; M740-K756 HydrophobicContact CE-CB 4Å; M740-K756 HydrophobicContact CE-CG 4.42Å; M740-K756 VanDerWaalsContact CE-O 3.23Å; M740-K756 WeakPolarHBondContact CE-O 3.33Å; F752-K756 PolarHBondContact O-N 3Å; D753-K756 PolarHBondContact O-N 2.89Å; K756-K760 WeakPolarHBondContact O-CB 3.47Å; K756-K760 PolarHBondContact O-N 3.14Å
757	E	91.1	Very high	86.9	Confident	97 Å²	97	56.4 Å²	56.4	45%	0.453	27%	0.266	S	S	.	.	H	α-helix	trans	-62.9	-49.8	177.1	178	141.6	-99.1	0	0	113.1	D753 L755 V759 K760 E761	D753-E757 VanDerWaalsContact O-CB 3.31Å; D753-E757 WeakPolarHBondContact O-CB 3.19Å; D753-E757 PolarHBondContact O-N 3.42Å; L755-E757 VanDerWaalsContact C-N 3.32Å; L755-E757 PolarHBondContact O-N 2.94Å; E757-V759 VanDerWaalsContact C-N 3.34Å; E757-V759 PolarHBondContact O-N 2.87Å; E757-K760 WeakPolarHBondContact O-CB 3.33Å; E757-K760 PolarHBondContact O-N 2.92Å; E757-K760 IonicContact OE1-NZ 3.55Å; E757-K760 PolarHBondContact OE1-NZ 2.8Å; E757-E761 WeakPolarHBondContact O-CG 2.82Å; E757-E761 PolarHBondContact O-N 2.86Å
758	A	91.8	Very high	88.2	Confident	22 Å²	22	53.3 Å²	53.3	18%	0.182	25%	0.25	C	S	.	.	H	α-helix	trans	-65.1	-36.1	179.6	0	0	0	0	0	112.9	K754 L755 E762 F972 L982	K754-A758 WeakPolarHBondContact O-CB 3.47Å; K754-A758 PolarHBondContact O-N 3.18Å; K754-A758 VanDerWaalsContact O-N 3.08Å; L755-A758 PolarHBondContact O-N 3.47Å; A758-E762 WeakPolarHBondContact O-CB 3.43Å; A758-E762 PolarHBondContact O-N 3.47Å; A758-E762 VanDerWaalsContact O-N 3.16Å; A758-F972 HydrophobicContact CB-CE2 3.95Å; A758-L982 HydrophobicContact CB-CD1 4.11Å; A758-L982 HydrophobicContact CB-CD2 3.63Å
759	V	92.9	Very high	89.1	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-69.5	-42.4	174.6	171.9	0	0	0	0	110.7	I656 M740 L755 E757 S763 V965 V968 L969 F972	I656-V759 HydrophobicContact CD1-CG2 4.45Å; I656-V759 HydrophobicContact CG2-CG1 4.3Å; M740-V759 HydrophobicContact CE-CG1 4.44Å; L755-V759 HydrophobicContact CD1-CG2 3.89Å; L755-V759 HydrophobicContact CG-CG2 4.37Å; L755-V759 VanDerWaalsContact O-CB 3.32Å; L755-V759 WeakPolarHBondContact O-CB 3.39Å; L755-V759 WeakPolarHBondContact O-CG2 3.49Å; L755-V759 PolarHBondContact O-N 3.25Å; E757-V759 VanDerWaalsContact C-N 3.34Å; E757-V759 PolarHBondContact O-N 2.87Å; V759-S763 WeakPolarHBondContact O-CB 3.11Å; V759-S763 PolarHBondContact O-N 3.23Å; V759-S763 PolarHBondContact O-OG 3.3Å; V759-V965 HydrophobicContact CG1-CG1 3.91Å; V759-V968 HydrophobicContact CB-CG1 4.39Å; V759-V968 HydrophobicContact CG1-CG1 4.2Å; V759-V968 HydrophobicContact CG2-CG1 4.23Å; V759-L969 HydrophobicContact CG1-CD2 4.35Å; V759-L969 HydrophobicContact CG1-CG 4.28Å; V759-L969 HydrophobicContact CG2-CD2 3.78Å; V759-L969 HydrophobicContact CG2-CG 4.42Å; V759-F972 HydrophobicContact CG2-CD2 4Å; V759-F972 HydrophobicContact CG2-CE2 4Å
760	K	92.1	Very high	89.7	Confident	27 Å²	27	53.6 Å²	53.6	12%	0.117	25%	0.252	C	S	.	.	H	α-helix	trans	-54.1	-55.8	173	167.5	-161.5	72	-175.6	0	110.9	F736 M740 K756 E757 S763 I764	F736-K760 HydrophobicContact CE1-CB 4.31Å; F736-K760 HydrophobicContact CE1-CG 4.25Å; M740-K760 HydrophobicContact CE-CB 4.29Å; K756-K760 WeakPolarHBondContact O-CB 3.47Å; K756-K760 PolarHBondContact O-N 3.14Å; E757-K760 WeakPolarHBondContact O-CB 3.33Å; E757-K760 PolarHBondContact O-N 2.92Å; E757-K760 IonicContact OE1-NZ 3.55Å; E757-K760 PolarHBondContact OE1-NZ 2.8Å; K760-S763 PolarHBondContact O-N 3.18Å; K760-I764 HydrophobicContact CG-CD1 3.75Å; K760-I764 WeakPolarHBondContact O-CB 3.27Å; K760-I764 WeakPolarHBondContact O-CD1 3.31Å; K760-I764 WeakPolarHBondContact O-CG1 3.49Å; K760-I764 PolarHBondContact O-N 2.98Å
761	E	92.2	Very high	89.9	Confident	120 Å²	120	52.8 Å²	52.8	56%	0.561	25%	0.248	S	C	*	.	H	α-helix	trans	-61.3	-49.5	-177.1	-71.8	-173	165	0	0	112.9	E757 S763 I764 K765	E757-E761 WeakPolarHBondContact O-CG 2.82Å; E757-E761 PolarHBondContact O-N 2.86Å; E761-S763 VanDerWaalsContact C-N 3.34Å; E761-S763 PolarHBondContact O-N 2.91Å; E761-I764 PolarHBondContact O-N 2.68Å; E761-K765 WeakPolarHBondContact O-CB 3.33Å; E761-K765 PolarHBondContact O-N 2.77Å
762	E	92.3	Very high	89.9	Confident	42 Å²	42	59.3 Å²	59.3	20%	0.196	28%	0.276	C	S	.	.	H	α-helix	trans	-68.7	-32.5	-178.9	-177	68.3	-175.7	0	0	111.8	A758 K765 R766 V968 F972	A758-E762 WeakPolarHBondContact O-CB 3.43Å; A758-E762 PolarHBondContact O-N 3.47Å; A758-E762 VanDerWaalsContact O-N 3.16Å; E762-K765 IonicContact OE1-NZ 3.01Å; E762-K765 IonicContact OE2-NZ 2.86Å; E762-K765 PolarHBondContact OE2-NZ 3.43Å; E762-R766 WeakPolarHBondContact O-CB 3.35Å; E762-R766 VanDerWaalsContact O-CG 3.27Å; E762-R766 WeakPolarHBondContact O-CG 3.36Å; E762-R766 PolarHBondContact O-N 3.43Å; E762-R766 IonicContact OE1-CZ 2.65Å; E762-R766 VanDerWaalsContact OE1-CZ 3.32Å; E762-R766 IonicContact OE1-NE 2.7Å; E762-R766 PolarHBondContact OE1-NE 2.85Å; E762-R766 IonicContact OE1-NH2 2.72Å; E762-R766 PolarHBondContact OE1-NH2 2.79Å; E762-V968 HydrophobicContact CB-CG1 4.1Å; E762-V968 HydrophobicContact CB-CG2 4.37Å; E762-V968 HydrophobicContact CG-CG1 4.06Å; E762-V968 HydrophobicContact CG-CG2 3.83Å; E762-F972 HydrophobicContact CB-CZ 4.41Å
763	S	91.8	Very high	89.9	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-70.5	-42.1	176.1	-57.8	0	0	0	0	112.6	V759 K760 E761 R766 H767 V965	V759-S763 WeakPolarHBondContact O-CB 3.11Å; V759-S763 PolarHBondContact O-N 3.23Å; V759-S763 PolarHBondContact O-OG 3.3Å; K760-S763 PolarHBondContact O-N 3.18Å; E761-S763 VanDerWaalsContact C-N 3.34Å; E761-S763 PolarHBondContact O-N 2.91Å; S763-R766 PolarHBondContact O-N 3.26Å; S763-H767 PolarHBondContact O-N 2.62Å; S763-V965 WeakPolarHBondContact OG-CG2 3.28Å
764	I	90.5	Very high	89.9	Confident	29 Å²	29	59.2 Å²	59.2	15%	0.149	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-47.4	173	-71.5	165.5	0	0	0	109.7	W729 Q733 F736 K760 E761 R766 H767	W729-I764 HydrophobicContact CH2-CG2 4.39Å; W729-I764 HydrophobicContact CZ2-CG2 3.86Å; Q733-I764 HydrophobicContact CG-CD1 3.87Å; Q733-I764 HydrophobicContact CG-CG1 4.25Å; Q733-I764 HydrophobicContact CG-CG2 4.39Å; F736-I764 HydrophobicContact CD1-CD1 4.28Å; F736-I764 HydrophobicContact CD1-CG1 4.09Å; F736-I764 HydrophobicContact CE1-CD1 4.39Å; F736-I764 HydrophobicContact CE1-CG1 4.1Å; K760-I764 HydrophobicContact CG-CD1 3.75Å; K760-I764 WeakPolarHBondContact O-CB 3.27Å; K760-I764 WeakPolarHBondContact O-CD1 3.31Å; K760-I764 WeakPolarHBondContact O-CG1 3.49Å; K760-I764 PolarHBondContact O-N 2.98Å; E761-I764 PolarHBondContact O-N 2.68Å; I764-R766 VanDerWaalsContact C-N 3.31Å; I764-R766 PolarHBondContact O-N 3.4Å; I764-H767 PolarHBondContact O-N 3.13Å; I764-H767 VanDerWaalsContact O-N 3.16Å
765	K	92.6	Very high	89.9	Confident	157 Å²	157	57.9 Å²	57.9	68%	0.683	27%	0.272	S	S	*	.	H	α-helix	trans	-64.9	-28.3	179.4	174.7	-177.9	154.2	-144.4	0	114.1	E761 E762	E761-K765 WeakPolarHBondContact O-CB 3.33Å; E761-K765 PolarHBondContact O-N 2.77Å; E762-K765 IonicContact OE1-NZ 3.01Å; E762-K765 IonicContact OE2-NZ 2.86Å; E762-K765 PolarHBondContact OE2-NZ 3.43Å
766	R	91.1	Very high	89.8	Confident	87 Å²	87	60.2 Å²	60.2	33%	0.328	29%	0.288	S	S	.	.	H	α-helix	trans	-86.9	-17.4	173.9	-73.3	177.2	-171.9	-158.3	3.9	113.7	E762 S763 I764 N964 D971	E762-R766 WeakPolarHBondContact O-CB 3.35Å; E762-R766 VanDerWaalsContact O-CG 3.27Å; E762-R766 WeakPolarHBondContact O-CG 3.36Å; E762-R766 PolarHBondContact O-N 3.43Å; E762-R766 IonicContact OE1-CZ 2.65Å; E762-R766 VanDerWaalsContact OE1-CZ 3.32Å; E762-R766 IonicContact OE1-NE 2.7Å; E762-R766 PolarHBondContact OE1-NE 2.85Å; E762-R766 IonicContact OE1-NH2 2.72Å; E762-R766 PolarHBondContact OE1-NH2 2.79Å; S763-R766 PolarHBondContact O-N 3.26Å; I764-R766 VanDerWaalsContact C-N 3.31Å; I764-R766 PolarHBondContact O-N 3.4Å; R766-N964 PolarHBondContact O-ND2 3.04Å; R766-D971 IonicContact CZ-OD2 2.61Å; R766-D971 IonicContact NH1-OD2 2.62Å; R766-D971 PolarHBondContact NH1-OD2 2.72Å; R766-D971 IonicContact NH2-OD2 3.93Å; R766-D971 PolarHBondContact NH2-OD2 2.7Å
767	H	90.4	Very high	89.9	Confident	17 Å²	17	59.9 Å²	59.9	8%	0.079	29%	0.287	C	S	.	.			trans	-72.4	137.4	178.7	-171.6	90.8	0	0	0	110.8	W729 S763 I764 E957 N964	W729-H767 AromaticContact CE3-CD2 3.47Å; W729-H767 VanDerWaalsContact CE3-CD2 3.47Å; W729-H767 AromaticContact CE3-NE2 3.85Å; W729-H767 HydrophobicContact CH2-CB 3.48Å; W729-H767 VanDerWaalsContact CH2-CB 3.48Å; W729-H767 AromaticContact CH2-CD2 3.52Å; W729-H767 AromaticContact CH2-CG 3.58Å; W729-H767 HydrophobicContact CZ2-CB 4.19Å; W729-H767 HydrophobicContact CZ3-CB 3.94Å; W729-H767 AromaticContact CZ3-CD2 3.11Å; W729-H767 WeakPolarHBondContact CZ3-CD2 3.45Å; W729-H767 AromaticContact CZ3-CG 3.46Å; W729-H767 VanDerWaalsContact CZ3-CG 3.46Å; W729-H767 AromaticContact CZ3-NE2 3.71Å; S763-H767 PolarHBondContact O-N 2.62Å; I764-H767 PolarHBondContact O-N 3.13Å; I764-H767 VanDerWaalsContact O-N 3.16Å; H767-E957 IonicContact CE1-OE2 3.77Å; H767-E957 IonicContact NE2-OE2 3.45Å; H767-N964 VanDerWaalsContact CA-ND2 3.33Å; H767-N964 WeakPolarHBondContact CA-ND2 3.44Å; H767-N964 PolarHBondContact N-ND2 3.37Å
768	K	87.5	Confident	90	Very high	116 Å²	116	59 Å²	59	50%	0.504	28%	0.279	S	S	.	.			trans	-138.8	125.3	170.1	-170.1	-161.1	176.5	-162.9	0	107.1	D771 R960	K768-D771 VanDerWaalsContact CE-OD1 3.28Å; K768-D771 WeakPolarHBondContact CE-OD1 3.49Å; K768-D771 IonicContact NZ-OD1 2.7Å; K768-D771 PolarHBondContact NZ-OD1 3.25Å; K768-D771 IonicContact NZ-OD2 2.7Å; K768-D771 PolarHBondContact NZ-OD2 3.14Å; K768-R960 PolarHBondContact O-NE 3.16Å; K768-R960 PolarHBondContact O-NH1 3.26Å; K768-R960 PolarHBondContact O-NH2 3.23Å
769	W	89.1	Confident	89.9	Confident	21 Å²	21	62.1 Å²	62.1	8%	0.08	30%	0.295	C	S	.	.			trans	-60	158.9	175	-157.5	-89.7	0	0	0	111.4	V725 A728 W729 L732 D771 A773 L953 E957	V725-W769 HydrophobicContact CG1-CB 4.14Å; V725-W769 HydrophobicContact CG1-CD2 4.1Å; V725-W769 HydrophobicContact CG1-CG 3.67Å; A728-W769 HydrophobicContact CB-CH2 3.54Å; A728-W769 HydrophobicContact CB-CZ2 3.83Å; A728-W769 HydrophobicContact CB-CZ3 4.19Å; W729-W769 HydrophobicContact CB-CE3 4.19Å; W729-W769 HydrophobicContact CB-CZ3 4.46Å; W729-W769 HydrophobicContact CE3-CE3 4.4Å; L732-W769 HydrophobicContact CD2-CZ3 4.09Å; W769-D771 PolarHBondContact O-N 3.41Å; W769-A773 VanDerWaalsContact NE1-CB 3.31Å; W769-L953 HydrophobicContact CH2-CB 4.36Å; W769-L953 HydrophobicContact CH2-CD1 4.47Å; W769-E957 HydrophobicContact CD2-CG 3.94Å; W769-E957 HydrophobicContact CE3-CB 4.33Å; W769-E957 HydrophobicContact CE3-CG 3.97Å; W769-E957 HydrophobicContact CH2-CB 4.33Å; W769-E957 HydrophobicContact CH2-CG 4.08Å; W769-E957 HydrophobicContact CZ2-CG 4.04Å; W769-E957 HydrophobicContact CZ3-CB 4.11Å; W769-E957 HydrophobicContact CZ3-CG 4.05Å
770	N	88	Confident	89.8	Confident	62 Å²	62	64.5 Å²	64.5	33%	0.332	31%	0.308	S	S	.	.			trans	-64.8	119.3	174.6	-179.2	8.4	0	0	0	111.8	F772 A773 E957 R960	N770-F772 PolarHBondContact O-N 3.09Å; N770-F772 VanDerWaalsContact O-N 3.13Å; N770-F772 WeakPolarHBondContact OD1-CD2 3.4Å; N770-F772 PolarHBondContact OD1-N 3.22Å; N770-F772 VanDerWaalsContact OD1-N 3.14Å; N770-A773 WeakPolarHBondContact O-CB 3.29Å; N770-A773 PolarHBondContact O-N 3.17Å; N770-E957 WeakPolarHBondContact CB-OE1 3.48Å; N770-E957 PolarHBondContact N-OE1 3.23Å; N770-R960 VanDerWaalsContact N-NH1 3.16Å
771	D	82.8	Confident	89.9	Confident	103 Å²	103	63.2 Å²	63.2	55%	0.551	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.2	178.9	-64.4	-77.8	0	0	0	113.4	K768 W769 A773	K768-D771 VanDerWaalsContact CE-OD1 3.28Å; K768-D771 WeakPolarHBondContact CE-OD1 3.49Å; K768-D771 IonicContact NZ-OD1 2.7Å; K768-D771 PolarHBondContact NZ-OD1 3.25Å; K768-D771 IonicContact NZ-OD2 2.7Å; K768-D771 PolarHBondContact NZ-OD2 3.14Å; W769-D771 PolarHBondContact O-N 3.41Å; D771-A773 VanDerWaalsContact C-N 3.27Å; D771-A773 PolarHBondContact O-N 3.14Å
772	F	85.9	Confident	89.9	Confident	160 Å²	160	59.1 Å²	59.1	70%	0.702	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-7	178.3	-64.3	-75.7	0	0	0	114.3	N770 S776	N770-F772 PolarHBondContact O-N 3.09Å; N770-F772 VanDerWaalsContact O-N 3.13Å; N770-F772 WeakPolarHBondContact OD1-CD2 3.4Å; N770-F772 PolarHBondContact OD1-N 3.22Å; N770-F772 VanDerWaalsContact OD1-N 3.14Å; F772-S776 WeakPolarHBondContact O-CB 3.27Å; F772-S776 PolarHBondContact O-N 3.45Å
773	A	86.8	Confident	89.8	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-37.9	-177.4	0	0	0	0	0	112.6	V725 W769 N770 D771 S776 L777	V725-A773 HydrophobicContact CG2-CB 4.17Å; W769-A773 VanDerWaalsContact NE1-CB 3.31Å; N770-A773 WeakPolarHBondContact O-CB 3.29Å; N770-A773 PolarHBondContact O-N 3.17Å; D771-A773 VanDerWaalsContact C-N 3.27Å; D771-A773 PolarHBondContact O-N 3.14Å; A773-S776 WeakPolarHBondContact O-CB 3.38Å; A773-S776 PolarHBondContact O-N 3.2Å; A773-L777 WeakPolarHBondContact O-CB 3.19Å; A773-L777 WeakPolarHBondContact O-CD1 3.38Å; A773-L777 VanDerWaalsContact O-CG 3.24Å; A773-L777 WeakPolarHBondContact O-CG 3.39Å; A773-L777 PolarHBondContact O-N 3.36Å
774	E	88.4	Confident	89.7	Confident	62 Å²	62	62 Å²	62	29%	0.29	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-45.8	-179.6	-63.2	-169.6	162.4	0	0	111.7	P721 N722 V725 L777 R778	P721-E774 HydrophobicContact CB-CB 4.26Å; P721-E774 WeakPolarHBondContact CB-O 3.32Å; N722-E774 PolarHBondContact ND2-OE1 3.11Å; N722-E774 PolarHBondContact ND2-OE2 3.37Å; V725-E774 HydrophobicContact CG2-CG 4.01Å; E774-L777 PolarHBondContact O-N 2.86Å; E774-R778 WeakPolarHBondContact O-CB 3.44Å; E774-R778 PolarHBondContact O-N 2.99Å
775	D	88.3	Confident	89.7	Confident	85 Å²	85	60.8 Å²	60.8	46%	0.455	29%	0.294	S	S	.	.	H	α-helix	trans	-70.2	-35.3	178.7	-76	-31.4	0	0	0	112.7	R778 V779	D775-R778 PolarHBondContact O-N 3.36Å; D775-R778 IonicContact OD1-CZ 2.68Å; D775-R778 VanDerWaalsContact OD1-CZ 3.23Å; D775-R778 IonicContact OD1-NE 3.93Å; D775-R778 PolarHBondContact OD1-NE 3.23Å; D775-R778 IonicContact OD1-NH2 2.67Å; D775-R778 PolarHBondContact OD1-NH2 3.48Å; D775-V779 PolarHBondContact O-N 3.34Å
776	S	89	Confident	89.4	Confident	50 Å²	50	58.9 Å²	58.9	35%	0.35	29%	0.288	S	S	.	.	H	α-helix	trans	-58.4	-47.5	170.6	171.4	0	0	0	0	111.6	F772 A773 I780	F772-S776 WeakPolarHBondContact O-CB 3.27Å; F772-S776 PolarHBondContact O-N 3.45Å; A773-S776 WeakPolarHBondContact O-CB 3.38Å; A773-S776 PolarHBondContact O-N 3.2Å; S776-I780 WeakPolarHBondContact O-CD1 3.41Å; S776-I780 WeakPolarHBondContact O-CG1 3.41Å; S776-I780 PolarHBondContact O-N 2.72Å
777	L	92.6	Very high	89	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-68.6	-39.9	179.1	-68.9	165.5	0	0	0	111.7	P721 A724 V725 A773 E774 V779 I780 Q781 T945 T948 L949	P721-L777 HydrophobicContact CB-CB 4.29Å; A724-L777 HydrophobicContact CB-CD1 4.37Å; V725-L777 HydrophobicContact CG2-CD1 3.64Å; A773-L777 WeakPolarHBondContact O-CB 3.19Å; A773-L777 WeakPolarHBondContact O-CD1 3.38Å; A773-L777 VanDerWaalsContact O-CG 3.24Å; A773-L777 WeakPolarHBondContact O-CG 3.39Å; A773-L777 PolarHBondContact O-N 3.36Å; E774-L777 PolarHBondContact O-N 2.86Å; L777-V779 VanDerWaalsContact C-N 3.34Å; L777-V779 PolarHBondContact O-N 3.48Å; L777-I780 PolarHBondContact O-N 3.22Å; L777-Q781 VanDerWaalsContact O-CB 3.27Å; L777-Q781 WeakPolarHBondContact O-CB 3.45Å; L777-Q781 VanDerWaalsContact O-CG 3.23Å; L777-Q781 WeakPolarHBondContact O-CG 3.33Å; L777-Q781 PolarHBondContact O-N 3.46Å; L777-Q781 PolarHBondContact O-OE1 3.45Å; L777-T945 HydrophobicContact CD2-CG2 4.4Å; L777-T948 HydrophobicContact CD2-CG2 3.77Å; L777-L949 HydrophobicContact CD1-CD2 3.65Å; L777-L949 HydrophobicContact CD2-CD2 4.08Å; L777-L949 HydrophobicContact CD2-CG 4.21Å; L777-L949 HydrophobicContact CG-CD2 4.48Å
778	R	93.1	Very high	88.7	Confident	78 Å²	78	62.2 Å²	62.2	29%	0.294	30%	0.303	S	S	.	.	H	α-helix	trans	-52	-49.2	179.1	-163.3	-163.1	-52.1	-102.1	3.2	111.9	D717 P721 E774 D775 H782	D717-R778 PolarHBondContact O-NH1 3.04Å; P721-R778 HydrophobicContact CB-CB 4.48Å; P721-R778 HydrophobicContact CG-CB 3.84Å; P721-R778 HydrophobicContact CG-CG 4.04Å; E774-R778 WeakPolarHBondContact O-CB 3.44Å; E774-R778 PolarHBondContact O-N 2.99Å; D775-R778 PolarHBondContact O-N 3.36Å; D775-R778 IonicContact OD1-CZ 2.68Å; D775-R778 VanDerWaalsContact OD1-CZ 3.23Å; D775-R778 IonicContact OD1-NE 3.93Å; D775-R778 PolarHBondContact OD1-NE 3.23Å; D775-R778 IonicContact OD1-NH2 2.67Å; D775-R778 PolarHBondContact OD1-NH2 3.48Å; R778-H782 WeakPolarHBondContact O-CB 3.42Å; R778-H782 PolarHBondContact O-N 2.79Å
779	V	91.6	Very high	88.4	Confident	87 Å²	87	59.6 Å²	59.6	53%	0.527	30%	0.3	S	S	.	.	H	α-helix	trans	-66.4	-45.4	179.6	177.7	0	0	0	0	111.5	D775 L777 Q781 H782 N783	D775-V779 PolarHBondContact O-N 3.34Å; L777-V779 VanDerWaalsContact C-N 3.34Å; L777-V779 PolarHBondContact O-N 3.48Å; V779-Q781 PolarHBondContact O-N 3.39Å; V779-H782 PolarHBondContact O-N 3.45Å; V779-N783 PolarHBondContact O-N 3.16Å; V779-N783 PolarHBondContact O-OD1 3.44Å
780	I	90.8	Very high	88.2	Confident	51 Å²	51	59.1 Å²	59.1	26%	0.262	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-42.6	-178.5	-68.2	168.4	0	0	0	111	S776 L777 A784 I944 T948	S776-I780 WeakPolarHBondContact O-CD1 3.41Å; S776-I780 WeakPolarHBondContact O-CG1 3.41Å; S776-I780 PolarHBondContact O-N 2.72Å; L777-I780 PolarHBondContact O-N 3.22Å; I780-A784 VanDerWaalsContact O-CB 3.27Å; I780-A784 WeakPolarHBondContact O-CB 3.46Å; I780-A784 PolarHBondContact O-N 2.95Å; I780-I944 HydrophobicContact CG2-CG2 3.46Å; I780-I944 VanDerWaalsContact CG2-CG2 3.46Å; I780-T948 HydrophobicContact CD1-CG2 3.73Å
781	Q	93.4	Very high	88	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.3	-36.5	177.8	-72.3	166.7	-16.2	0	0	112.4	L720 L777 V779 L785 M941 T945	L720-Q781 HydrophobicContact CD2-CB 3.98Å; L720-Q781 HydrophobicContact CD2-CG 4.02Å; L720-Q781 HydrophobicContact CG-CG 4.47Å; L777-Q781 VanDerWaalsContact O-CB 3.27Å; L777-Q781 WeakPolarHBondContact O-CB 3.45Å; L777-Q781 VanDerWaalsContact O-CG 3.23Å; L777-Q781 WeakPolarHBondContact O-CG 3.33Å; L777-Q781 PolarHBondContact O-N 3.46Å; L777-Q781 PolarHBondContact O-OE1 3.45Å; V779-Q781 PolarHBondContact O-N 3.39Å; Q781-L785 WeakPolarHBondContact O-CB 3.17Å; Q781-L785 WeakPolarHBondContact O-CG 3.4Å; Q781-L785 PolarHBondContact O-N 3.2Å; Q781-M941 HydrophobicContact CB-CG 4.37Å; Q781-M941 HydrophobicContact CG-CG 4.25Å; Q781-M941 HydrophobicContact CG-SD 4.31Å; Q781-T945 WeakPolarHBondContact CG-OG1 3.23Å; Q781-T945 VanDerWaalsContact NE2-CG2 3.3Å; Q781-T945 PolarHBondContact NE2-OG1 3.32Å
782	H	91.1	Very high	88.2	Confident	34 Å²	34	58.7 Å²	58.7	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-54.9	173.4	-151.6	63.6	0	0	0	110.6	K713 T716 D717 R778 V779 A784 L785 E786	K713-H782 PolarHBondContact NZ-CE1 3.41Å; K713-H782 VanDerWaalsContact NZ-CE1 3.31Å; K713-H782 PolarHBondContact NZ-NE2 2.88Å; T716-H782 PolarHBondContact OG1-ND1 3.23Å; D717-H782 IonicContact OD1-ND1 2.9Å; R778-H782 WeakPolarHBondContact O-CB 3.42Å; R778-H782 PolarHBondContact O-N 2.79Å; V779-H782 PolarHBondContact O-N 3.45Å; H782-A784 VanDerWaalsContact C-N 3.29Å; H782-A784 PolarHBondContact O-N 3.44Å; H782-L785 CarbonylContact O-C 3.57Å; H782-L785 PolarHBondContact O-N 2.65Å; H782-E786 IonicContact CD2-OE1 2.71Å; H782-E786 IonicContact NE2-OE1 2.89Å; H782-E786 PolarHBondContact O-N 3.41Å
783	N	90.8	Very high	88.3	Confident	97 Å²	97	56 Å²	56	52%	0.519	29%	0.29	S	S	.	.	H	α-helix	trans	-59.6	-37.8	179.5	-62.9	-8.1	0	0	0	112.4	V779 L785	V779-N783 PolarHBondContact O-N 3.16Å; V779-N783 PolarHBondContact O-OD1 3.44Å; N783-L785 VanDerWaalsContact C-N 3.32Å
784	A	90	Very high	88.4	Confident	4 Å²	4	64 Å²	64	3%	0.033	33%	0.327	C	S	.	.	H	α-helix	trans	-68.7	-28.7	176.6	0	0	0	0	0	113.4	I780 H782 M941 I944	I780-A784 VanDerWaalsContact O-CB 3.27Å; I780-A784 WeakPolarHBondContact O-CB 3.46Å; I780-A784 PolarHBondContact O-N 2.95Å; H782-A784 VanDerWaalsContact C-N 3.29Å; H782-A784 PolarHBondContact O-N 3.44Å; A784-M941 HydrophobicContact CB-CB 4.16Å; A784-M941 HydrophobicContact CB-CG 4.47Å; A784-I944 HydrophobicContact CB-CD1 3.89Å
785	L	90.1	Very high	88.5	Confident	5 Å²	5	63.2 Å²	63.2	3%	0.026	32%	0.323	C	S	.	.	H	α-helix	trans	-92.5	-19.2	178.7	-72.9	169.3	0	0	0	113.6	L712 W715 T716 L720 Q781 H782 N783 R937 I938 M941	L712-L785 HydrophobicContact CD1-CD2 4.39Å; L712-L785 HydrophobicContact CD2-CD1 4.32Å; L712-L785 HydrophobicContact CD2-CD2 4.21Å; W715-L785 HydrophobicContact CZ3-CD1 4.4Å; T716-L785 HydrophobicContact CG2-CD1 3.45Å; T716-L785 VanDerWaalsContact CG2-CD1 3.45Å; L720-L785 HydrophobicContact CD2-CD1 4.32Å; Q781-L785 WeakPolarHBondContact O-CB 3.17Å; Q781-L785 WeakPolarHBondContact O-CG 3.4Å; Q781-L785 PolarHBondContact O-N 3.2Å; H782-L785 CarbonylContact O-C 3.57Å; H782-L785 PolarHBondContact O-N 2.65Å; N783-L785 VanDerWaalsContact C-N 3.32Å; L785-R937 HydrophobicContact CD2-CB 4.12Å; L785-R937 PolarHBondContact O-NE 3.46Å; L785-R937 PolarHBondContact O-NH2 3.13Å; L785-I938 HydrophobicContact CD2-CG1 4.29Å; L785-M941 HydrophobicContact CD1-CG 3.97Å; L785-M941 HydrophobicContact CD2-CB 3.75Å; L785-M941 HydrophobicContact CD2-CG 4.1Å; L785-M941 HydrophobicContact CG-CB 3.86Å; L785-M941 HydrophobicContact CG-CG 3.79Å
786	E	85.9	Confident	88.6	Confident	116 Å²	116	59.2 Å²	59.2	54%	0.542	30%	0.302	S	S	.	.	H	α-helix	trans	-71.5	-30.1	175.2	-75.4	-168.8	144.1	0	0	113	H782 R788	H782-E786 IonicContact CD2-OE1 2.71Å; H782-E786 IonicContact NE2-OE1 2.89Å; H782-E786 PolarHBondContact O-N 3.41Å; E786-R788 PolarHBondContact O-N 3.09Å
787	D	84	Confident	88.7	Confident	50 Å²	50	59.5 Å²	59.5	27%	0.267	30%	0.299	S	S	.	.			trans	-74.7	109.4	-177.2	-170.4	-7.9	0	0	0	112.8	S789 R937 R940	D787-S789 VanDerWaalsContact OD1-CB 3.3Å; D787-S789 WeakPolarHBondContact OD1-CB 3.12Å; D787-S789 PolarHBondContact OD1-N 2.86Å; D787-S789 PolarHBondContact OD1-OG 3.18Å; D787-S789 PolarHBondContact OD2-OG 3.39Å; D787-R937 VanDerWaalsContact O-CG 3.3Å; D787-R937 WeakPolarHBondContact O-CG 3.36Å; D787-R940 VanDerWaalsContact CG-NH1 3.3Å; D787-R940 IonicContact OD2-CZ 2.67Å; D787-R940 IonicContact OD2-NH1 3.84Å; D787-R940 PolarHBondContact OD2-NH1 2.88Å; D787-R940 IonicContact OD2-NH2 3.89Å; D787-R940 PolarHBondContact OD2-NH2 3.49Å
788	R	82.6	Confident	88.6	Confident	124 Å²	124	61.3 Å²	61.3	47%	0.468	31%	0.314	S	S	.	.			trans	-89.9	3.8	178	-53.4	-170.5	-166.5	140.7	-2	114.2	D709 E786 Y918 V933	D709-R788 IonicContact OD2-CZ 2.65Å; D709-R788 IonicContact OD2-NE 3.16Å; D709-R788 IonicContact OD2-NH2 3.6Å; D709-R788 PolarHBondContact OD2-NH2 3.45Å; E786-R788 PolarHBondContact O-N 3.09Å; R788-Y918 PolarHBondContact O-OH 3.47Å; R788-V933 HydrophobicContact CB-CG1 3.96Å; R788-V933 VanDerWaalsContact O-CG1 3.32Å; R788-V933 WeakPolarHBondContact O-CG1 3.49Å
789	S	82.4	Confident	88.6	Confident	62 Å²	62	57.6 Å²	57.6	43%	0.434	30%	0.3	S	S	.	.			trans	-86.6	138	-173.7	69.6	0	0	0	0	113.3	D787 W936	D787-S789 VanDerWaalsContact OD1-CB 3.3Å; D787-S789 WeakPolarHBondContact OD1-CB 3.12Å; D787-S789 PolarHBondContact OD1-N 2.86Å; D787-S789 PolarHBondContact OD1-OG 3.18Å; D787-S789 PolarHBondContact OD2-OG 3.39Å; S789-W936 PolarHBondContact O-NE1 3.4Å
790	I	85.3	Confident	88.6	Confident	10 Å²	10	53.5 Å²	53.5	5%	0.051	28%	0.276	C	S	.	.			trans	-120.9	111.5	170	-61.6	168.4	0	0	0	106	Q795 W796 F915 Y918 V932 V933 W936	I790-Q795 HydrophobicContact CG2-CB 3.79Å; I790-W796 HydrophobicContact CD1-CE3 3.57Å; I790-W796 HydrophobicContact CD1-CZ3 3.88Å; I790-W796 HydrophobicContact CG2-CB 4.11Å; I790-W796 HydrophobicContact CG2-CE3 4.39Å; I790-F915 HydrophobicContact CG2-CE2 4.35Å; I790-Y918 HydrophobicContact CB-CE1 3.81Å; I790-Y918 PolarHBondContact N-OH 2.75Å; I790-V932 HydrophobicContact CD1-CG1 4.45Å; I790-V933 HydrophobicContact CD1-CG2 4.26Å; I790-W936 HydrophobicContact CD1-CB 4.01Å; I790-W936 HydrophobicContact CD1-CG 4.01Å; I790-W936 HydrophobicContact CG1-CB 4.22Å; I790-W936 HydrophobicContact CG1-CD2 4.24Å; I790-W936 HydrophobicContact CG1-CG 3.67Å
791	S	82.4	Confident	88.7	Confident	72 Å²	72	58 Å²	58	50%	0.503	29%	0.29	S	S	.	.			trans	-80.1	-37.7	-177	50.7	0	0	0	0	112.4	Q795	S791-Q795 PolarHBondContact OG-NE2 2.93Å; S791-Q795 PolarHBondContact OG-OE1 3.32Å
792	D	87.6	Confident	88.7	Confident	84 Å²	84	58.7 Å²	58.7	45%	0.449	29%	0.293	S	S	.	.			trans	-123	144.9	-164.1	-62.4	-77.7	0	0	0	112.8	Q794 Q795 W796	D792-Q794 PolarHBondContact O-N 2.85Å; D792-Q795 HydrophobicContact CB-CG 4.12Å; D792-Q795 WeakPolarHBondContact O-CB 3.2Å; D792-Q795 PolarHBondContact O-N 3.44Å; D792-Q795 PolarHBondContact OD2-NE2 2.92Å; D792-Q795 VanDerWaalsContact OD2-NE2 3.14Å; D792-W796 PolarHBondContact O-N 3.35Å; D792-W796 VanDerWaalsContact O-N 3.14Å
793	K	87.5	Confident	88.8	Confident	105 Å²	105	57.1 Å²	57.1	46%	0.457	29%	0.286	S	S	.	.	H	α-helix	trans	-58.9	-31.2	174.7	-169.6	178.9	-176.3	-72.1	0	112.2	Q795 W796 D797 F915	K793-Q795 VanDerWaalsContact C-N 3.32Å; K793-Q795 PolarHBondContact O-N 3.17Å; K793-W796 WeakPolarHBondContact O-CB 3.13Å; K793-W796 PolarHBondContact O-N 3.2Å; K793-D797 VanDerWaalsContact NZ-CG 3.33Å; K793-D797 IonicContact NZ-OD1 2.82Å; K793-D797 PolarHBondContact NZ-OD1 3.37Å; K793-D797 VanDerWaalsContact NZ-OD1 3.16Å; K793-D797 IonicContact NZ-OD2 2.67Å; K793-D797 PolarHBondContact NZ-OD2 2.58Å; K793-D797 WeakPolarHBondContact O-CB 3.49Å; K793-D797 VanDerWaalsContact O-CG 3.28Å; K793-D797 PolarHBondContact O-N 3.34Å; K793-F915 HydrophobicContact CB-CD1 3.82Å; K793-F915 HydrophobicContact CB-CE1 3.76Å; K793-F915 HydrophobicContact CB-CG 4.24Å; K793-F915 HydrophobicContact CB-CZ 4.12Å; K793-F915 HydrophobicContact CD-CD1 4.34Å; K793-F915 HydrophobicContact CG-CB 4.46Å; K793-F915 HydrophobicContact CG-CD1 3.93Å; K793-F915 HydrophobicContact CG-CE1 4.4Å; K793-F915 HydrophobicContact CG-CG 4.1Å
794	Q	89.8	Confident	88.9	Confident	167 Å²	167	54.1 Å²	54.1	78%	0.78	27%	0.269	S	S	*	.	H	α-helix	trans	-63.2	-37.8	175.7	-67.1	-178.8	-7.5	0	0	112.3	D792 A798	D792-Q794 PolarHBondContact O-N 2.85Å; Q794-A798 WeakPolarHBondContact O-CB 3.37Å; Q794-A798 PolarHBondContact O-N 2.9Å
795	Q	90.1	Very high	89.1	Confident	46 Å²	46	58.7 Å²	58.7	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-68.8	-41.7	174.8	-62.5	169.5	4.8	0	0	110.9	I790 S791 D792 K793 A798 A799 W936	I790-Q795 HydrophobicContact CG2-CB 3.79Å; S791-Q795 PolarHBondContact OG-NE2 2.93Å; S791-Q795 PolarHBondContact OG-OE1 3.32Å; D792-Q795 HydrophobicContact CB-CG 4.12Å; D792-Q795 WeakPolarHBondContact O-CB 3.2Å; D792-Q795 PolarHBondContact O-N 3.44Å; D792-Q795 PolarHBondContact OD2-NE2 2.92Å; D792-Q795 VanDerWaalsContact OD2-NE2 3.14Å; K793-Q795 VanDerWaalsContact C-N 3.32Å; K793-Q795 PolarHBondContact O-N 3.17Å; Q795-A798 PolarHBondContact O-N 2.83Å; Q795-A799 WeakPolarHBondContact O-CB 3.44Å; Q795-A799 PolarHBondContact O-N 2.85Å; Q795-W936 HydrophobicContact CB-CE3 4.24Å; Q795-W936 HydrophobicContact CB-CH2 3.64Å; Q795-W936 HydrophobicContact CB-CZ2 3.99Å; Q795-W936 HydrophobicContact CB-CZ3 3.77Å; Q795-W936 HydrophobicContact CG-CH2 3.48Å; Q795-W936 VanDerWaalsContact CG-CH2 3.48Å; Q795-W936 HydrophobicContact CG-CZ2 3.91Å; Q795-W936 HydrophobicContact CG-CZ3 4.04Å
796	W	90	Very high	89.3	Confident	1 Å²	1	58.6 Å²	58.6	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-60.2	-50.7	175.1	-176	-87.8	0	0	0	112.5	I790 D792 K793 A798 A799 I800 C911 F915 Y918 C929 V932	I790-W796 HydrophobicContact CD1-CE3 3.57Å; I790-W796 HydrophobicContact CD1-CZ3 3.88Å; I790-W796 HydrophobicContact CG2-CB 4.11Å; I790-W796 HydrophobicContact CG2-CE3 4.39Å; D792-W796 PolarHBondContact O-N 3.35Å; D792-W796 VanDerWaalsContact O-N 3.14Å; K793-W796 WeakPolarHBondContact O-CB 3.13Å; K793-W796 PolarHBondContact O-N 3.2Å; W796-A798 VanDerWaalsContact C-N 3.32Å; W796-A798 PolarHBondContact O-N 3.45Å; W796-A799 PolarHBondContact O-N 3.42Å; W796-I800 VanDerWaalsContact NE1-CD1 3.26Å; W796-I800 WeakPolarHBondContact O-CG1 3.42Å; W796-I800 PolarHBondContact O-N 3.31Å; W796-C911 PolarHBondContact NE1-O 3.36Å; W796-F915 HydrophobicContact CB-CD2 3.52Å; W796-F915 HydrophobicContact CB-CE2 4.1Å; W796-F915 HydrophobicContact CB-CG 4.29Å; W796-F915 HydrophobicContact CD2-CB 4.13Å; W796-F915 AromaticContact CD2-CD2 3.81Å; W796-F915 HydrophobicContact CD2-CD2 3.81Å; W796-F915 HydrophobicContact CD2-CG 4.48Å; W796-F915 HydrophobicContact CE3-CD2 4.02Å; W796-F915 HydrophobicContact CG-CB 3.9Å; W796-F915 AromaticContact CG-CD2 3.6Å; W796-F915 HydrophobicContact CG-CD2 3.6Å; W796-F915 HydrophobicContact CG-CG 4.15Å; W796-Y918 HydrophobicContact CE3-CD1 4.19Å; W796-Y918 HydrophobicContact CE3-CG 4.18Å; W796-Y918 HydrophobicContact CH2-CD2 4.16Å; W796-Y918 HydrophobicContact CH2-CG 4.1Å; W796-Y918 AromaticContact CZ3-CD1 3.96Å; W796-Y918 HydrophobicContact CZ3-CD1 3.96Å; W796-Y918 AromaticContact CZ3-CD2 3.61Å; W796-Y918 HydrophobicContact CZ3-CD2 3.61Å; W796-Y918 HydrophobicContact CZ3-CE1 4.45Å; W796-Y918 HydrophobicContact CZ3-CE2 4.12Å; W796-Y918 AromaticContact CZ3-CG 3.51Å; W796-Y918 HydrophobicContact CZ3-CG 3.51Å; W796-C929 HydrophobicContact CH2-CB 3.6Å; W796-C929 HydrophobicContact CZ2-CB 3.77Å; W796-V932 HydrophobicContact CD2-CG1 3.91Å; W796-V932 HydrophobicContact CE3-CG1 3.91Å; W796-V932 HydrophobicContact CH2-CB 3.93Å; W796-V932 HydrophobicContact CH2-CG1 4.09Å; W796-V932 HydrophobicContact CH2-CG2 4.18Å; W796-V932 HydrophobicContact CZ2-CB 4.14Å; W796-V932 HydrophobicContact CZ2-CG1 4.12Å; W796-V932 HydrophobicContact CZ2-CG2 3.98Å; W796-V932 HydrophobicContact CZ3-CB 4.17Å; W796-V932 HydrophobicContact CZ3-CG1 3.99Å
797	D	90.8	Very high	89.6	Confident	56 Å²	56	53.1 Å²	53.1	30%	0.299	26%	0.264	S	S	.	.	H	α-helix	trans	-65.3	-36	179.8	-66.1	-22.9	0	0	0	111	K793 Y801	K793-D797 VanDerWaalsContact NZ-CG 3.33Å; K793-D797 IonicContact NZ-OD1 2.82Å; K793-D797 PolarHBondContact NZ-OD1 3.37Å; K793-D797 VanDerWaalsContact NZ-OD1 3.16Å; K793-D797 IonicContact NZ-OD2 2.67Å; K793-D797 PolarHBondContact NZ-OD2 2.58Å; K793-D797 WeakPolarHBondContact O-CB 3.49Å; K793-D797 VanDerWaalsContact O-CG 3.28Å; K793-D797 PolarHBondContact O-N 3.34Å; D797-Y801 PolarHBondContact O-N 3.35Å
798	A	90.8	Very high	90.1	Very high	38 Å²	38	55.5 Å²	55.5	31%	0.314	27%	0.274	S	S	.	.	H	α-helix	trans	-69.7	-37.2	174.8	0	0	0	0	0	113.5	Q794 Q795 W796 Y801 F802 Q939	Q794-A798 WeakPolarHBondContact O-CB 3.37Å; Q794-A798 PolarHBondContact O-N 2.9Å; Q795-A798 PolarHBondContact O-N 2.83Å; W796-A798 VanDerWaalsContact C-N 3.32Å; W796-A798 PolarHBondContact O-N 3.45Å; A798-Y801 PolarHBondContact O-N 3.31Å; A798-F802 WeakPolarHBondContact O-CB 3.36Å; A798-F802 PolarHBondContact O-N 2.82Å; A798-Q939 PolarHBondContact O-NE2 3.01Å
799	A	92.7	Very high	90.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67.4	-38.3	174.4	0	0	0	0	0	111.6	Q795 W796 F802 M803 V932 W936	Q795-A799 WeakPolarHBondContact O-CB 3.44Å; Q795-A799 PolarHBondContact O-N 2.85Å; W796-A799 PolarHBondContact O-N 3.42Å; A799-F802 PolarHBondContact O-N 3.28Å; A799-M803 VanDerWaalsContact O-CB 3.28Å; A799-M803 WeakPolarHBondContact O-CB 3.48Å; A799-M803 PolarHBondContact O-N 2.99Å; A799-V932 HydrophobicContact CB-CG1 3.94Å; A799-W936 HydrophobicContact CB-CB 3.76Å; A799-W936 HydrophobicContact CB-CE3 4.28Å
800	I	92.1	Very high	91	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-65.8	-43.2	172.7	-72.2	-178.8	0	0	0	111.3	W796 M803 E804 C911 R912 V932	W796-I800 VanDerWaalsContact NE1-CD1 3.26Å; W796-I800 WeakPolarHBondContact O-CG1 3.42Å; W796-I800 PolarHBondContact O-N 3.31Å; I800-M803 PolarHBondContact O-N 2.95Å; I800-E804 VanDerWaalsContact O-CB 3.23Å; I800-E804 WeakPolarHBondContact O-CB 3.2Å; I800-E804 PolarHBondContact O-N 3Å; I800-C911 HydrophobicContact CD1-CB 4.05Å; I800-C911 VanDerWaalsContact CD1-O 3.29Å; I800-C911 WeakPolarHBondContact CD1-O 3.36Å; I800-R912 HydrophobicContact CD1-CB 4.33Å; I800-R912 HydrophobicContact CG2-CB 4.46Å; I800-R912 HydrophobicContact CG2-CG 4.37Å; I800-V932 HydrophobicContact CD1-CG1 4.35Å; I800-V932 HydrophobicContact CD1-CG2 4.03Å; I800-V932 HydrophobicContact CG1-CB 4.39Å; I800-V932 HydrophobicContact CG1-CG1 3.72Å; I800-V932 HydrophobicContact CG1-CG2 3.72Å
801	Y	93.3	Very high	91.4	Very high	145 Å²	145	51.5 Å²	51.5	57%	0.569	26%	0.26	S	S	*	.	H	α-helix	trans	-59.7	-47	175.6	-179.6	-86.6	0	0	0	111.5	D797 A798 M803 E804 E805	D797-Y801 PolarHBondContact O-N 3.35Å; A798-Y801 PolarHBondContact O-N 3.31Å; Y801-M803 PolarHBondContact O-N 3.28Å; Y801-E804 PolarHBondContact O-N 2.91Å; Y801-E805 HydrophobicContact CE1-CB 4.49Å; Y801-E805 WeakPolarHBondContact CE1-OE2 3.32Å; Y801-E805 WeakPolarHBondContact O-CB 3.44Å; Y801-E805 PolarHBondContact O-N 2.93Å
802	F	93.8	Very high	92	Very high	16 Å²	16	54.9 Å²	54.9	7%	0.07	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-40.4	176.9	175.7	-113.7	0	0	0	112.7	W680 A798 A799 A806 F935 I938 Q939 L942	W680-F802 AromaticContact CD2-CE2 3.96Å; W680-F802 HydrophobicContact CD2-CE2 3.96Å; W680-F802 AromaticContact CD2-CZ 3.89Å; W680-F802 HydrophobicContact CD2-CZ 3.89Å; W680-F802 AromaticContact CE2-CE2 3.75Å; W680-F802 AromaticContact CE2-CZ 3.88Å; W680-F802 HydrophobicContact CE3-CE2 4.37Å; W680-F802 AromaticContact CE3-CZ 3.83Å; W680-F802 HydrophobicContact CE3-CZ 3.83Å; W680-F802 HydrophobicContact CG-CE2 4.4Å; W680-F802 HydrophobicContact CH2-CE1 4.41Å; W680-F802 HydrophobicContact CH2-CE2 4.42Å; W680-F802 AromaticContact CH2-CZ 3.78Å; W680-F802 HydrophobicContact CH2-CZ 3.78Å; W680-F802 HydrophobicContact CZ2-CE2 4.03Å; W680-F802 AromaticContact CZ2-CZ 3.85Å; W680-F802 HydrophobicContact CZ2-CZ 3.85Å; W680-F802 AromaticContact CZ3-CZ 3.76Å; W680-F802 HydrophobicContact CZ3-CZ 3.76Å; A798-F802 WeakPolarHBondContact O-CB 3.36Å; A798-F802 PolarHBondContact O-N 2.82Å; A799-F802 PolarHBondContact O-N 3.28Å; F802-A806 WeakPolarHBondContact O-CB 3.42Å; F802-A806 PolarHBondContact O-N 2.83Å; F802-F935 HydrophobicContact CD1-CB 4.28Å; F802-F935 HydrophobicContact CD1-CD1 4.05Å; F802-F935 HydrophobicContact CE1-CD1 4.06Å; F802-I938 HydrophobicContact CE1-CG2 4.26Å; F802-I938 HydrophobicContact CZ-CG2 4.48Å; F802-Q939 HydrophobicContact CB-CG 4.47Å; F802-Q939 HydrophobicContact CD1-CB 3.71Å; F802-Q939 HydrophobicContact CD1-CG 4.08Å; F802-Q939 HydrophobicContact CE1-CB 3.88Å; F802-Q939 HydrophobicContact CE1-CG 4.48Å; F802-Q939 HydrophobicContact CG-CB 4.28Å; F802-Q939 HydrophobicContact CG-CG 4.13Å; F802-L942 HydrophobicContact CE2-CD1 4.49Å; F802-L942 HydrophobicContact CZ-CD1 3.83Å
803	M	93.1	Very high	92.1	Very high	1 Å²	1	54 Å²	54	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-64.2	-44.3	174.3	-173.9	163.8	85.4	0	0	112.1	A799 I800 Y801 A806 L807 C908 D931 V932 F935	A799-M803 VanDerWaalsContact O-CB 3.28Å; A799-M803 WeakPolarHBondContact O-CB 3.48Å; A799-M803 PolarHBondContact O-N 2.99Å; I800-M803 PolarHBondContact O-N 2.95Å; Y801-M803 PolarHBondContact O-N 3.28Å; M803-A806 PolarHBondContact O-N 2.95Å; M803-L807 HydrophobicContact CG-CD1 3.8Å; M803-L807 WeakPolarHBondContact O-CB 3.5Å; M803-L807 WeakPolarHBondContact O-CD1 3.4Å; M803-L807 WeakPolarHBondContact O-CG 3.44Å; M803-L807 PolarHBondContact O-N 3.29Å; M803-C908 HydrophobicContact CE-CB 4.28Å; M803-C908 WeakPolarHBondContact CE-SG 3.37Å; M803-D931 HydrophobicContact CE-CB 4.08Å; M803-D931 HydrophobicContact SD-CB 3.69Å; M803-V932 HydrophobicContact CE-CG2 3.87Å; M803-F935 HydrophobicContact CB-CB 3.88Å; M803-F935 HydrophobicContact CB-CD1 3.84Å; M803-F935 HydrophobicContact CB-CD2 4.1Å; M803-F935 HydrophobicContact CB-CE1 4.38Å; M803-F935 HydrophobicContact CB-CG 3.67Å; M803-F935 HydrophobicContact CG-CB 4.24Å; M803-F935 HydrophobicContact CG-CD1 3.96Å; M803-F935 HydrophobicContact CG-CD2 3.52Å; M803-F935 HydrophobicContact CG-CE1 4.14Å; M803-F935 HydrophobicContact CG-CE2 3.71Å; M803-F935 HydrophobicContact CG-CG 3.63Å; M803-F935 HydrophobicContact CG-CZ 4.01Å; M803-F935 HydrophobicContact SD-CB 4.19Å; M803-F935 HydrophobicContact SD-CD2 3.35Å; M803-F935 WeakPolarHBondContact SD-CD2 3.46Å; M803-F935 HydrophobicContact SD-CE2 3.83Å; M803-F935 HydrophobicContact SD-CG 3.87Å
804	E	93.4	Very high	92.3	Very high	34 Å²	34	49 Å²	49	16%	0.159	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-46.5	178	178.1	164.2	-145.9	0	0	111.6	I800 Y801 L807 Q808 L905 R912	I800-E804 VanDerWaalsContact O-CB 3.23Å; I800-E804 WeakPolarHBondContact O-CB 3.2Å; I800-E804 PolarHBondContact O-N 3Å; Y801-E804 PolarHBondContact O-N 2.91Å; E804-L807 PolarHBondContact O-N 3.41Å; E804-Q808 VanDerWaalsContact CG-NE2 3.29Å; E804-Q808 VanDerWaalsContact O-CB 3.31Å; E804-Q808 WeakPolarHBondContact O-CB 3.2Å; E804-Q808 VanDerWaalsContact O-CG 3.22Å; E804-Q808 WeakPolarHBondContact O-CG 3.43Å; E804-Q808 PolarHBondContact O-N 3.02Å; E804-L905 HydrophobicContact CB-CD2 4.47Å; E804-L905 HydrophobicContact CG-CD2 4.08Å; E804-R912 IonicContact OE1-NH2 4Å; E804-R912 PolarHBondContact OE1-NH2 3.14Å; E804-R912 IonicContact OE2-CZ 3.14Å; E804-R912 IonicContact OE2-NH2 3.02Å; E804-R912 PolarHBondContact OE2-NH2 3.43Å
805	E	93.8	Very high	92.4	Very high	100 Å²	100	44.5 Å²	44.5	47%	0.467	22%	0.218	S	C	.	.	H	α-helix	trans	-61.4	-46.2	175.1	-178.3	168.3	-144.9	0	0	112	Y801 L807 Q808 A809	Y801-E805 HydrophobicContact CE1-CB 4.49Å; Y801-E805 WeakPolarHBondContact CE1-OE2 3.32Å; Y801-E805 WeakPolarHBondContact O-CB 3.44Å; Y801-E805 PolarHBondContact O-N 2.93Å; E805-L807 PolarHBondContact O-N 3.09Å; E805-Q808 PolarHBondContact O-N 3.14Å; E805-A809 WeakPolarHBondContact O-CB 3.45Å; E805-A809 PolarHBondContact O-N 2.92Å
806	A	93.2	Very high	92.5	Very high	3 Å²	3	46.1 Å²	46.1	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-57.6	-47	176.5	0	0	0	0	0	112.7	W680 F802 M803 R810 F935	W680-A806 HydrophobicContact CH2-CB 4.18Å; W680-A806 HydrophobicContact CZ2-CB 3.58Å; F802-A806 WeakPolarHBondContact O-CB 3.42Å; F802-A806 PolarHBondContact O-N 2.83Å; M803-A806 PolarHBondContact O-N 2.95Å; A806-R810 PolarHBondContact O-N 3.07Å; A806-R810 VanDerWaalsContact O-N 3.17Å; A806-F935 HydrophobicContact CB-CD1 4.47Å; A806-F935 HydrophobicContact CB-CE1 3.8Å
807	L	92.9	Very high	92.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-73.3	-37.3	-178.8	-66.4	169	0	0	0	111.6	I688 Y692 M803 E804 E805 R810 L811 L901 A904 L905	I688-L807 HydrophobicContact CD1-CD2 4.28Å; Y692-L807 HydrophobicContact CD1-CD2 4.22Å; Y692-L807 HydrophobicContact CE1-CD2 3.8Å; M803-L807 HydrophobicContact CG-CD1 3.8Å; M803-L807 WeakPolarHBondContact O-CB 3.5Å; M803-L807 WeakPolarHBondContact O-CD1 3.4Å; M803-L807 WeakPolarHBondContact O-CG 3.44Å; M803-L807 PolarHBondContact O-N 3.29Å; E804-L807 PolarHBondContact O-N 3.41Å; E805-L807 PolarHBondContact O-N 3.09Å; L807-R810 PolarHBondContact O-N 3.48Å; L807-L811 WeakPolarHBondContact O-CB 3.33Å; L807-L811 PolarHBondContact O-N 3.32Å; L807-L901 HydrophobicContact CD2-CD2 3.48Å; L807-L901 VanDerWaalsContact CD2-CD2 3.48Å; L807-A904 HydrophobicContact CD1-CB 3.83Å; L807-A904 HydrophobicContact CD2-CB 4.34Å; L807-L905 HydrophobicContact CB-CD1 4.43Å; L807-L905 HydrophobicContact CB-CD2 3.69Å; L807-L905 HydrophobicContact CB-CG 3.86Å; L807-L905 HydrophobicContact CD1-CD2 4.43Å
808	Q	94.3	Very high	92.6	Very high	101 Å²	101	45.4 Å²	45.4	47%	0.472	23%	0.229	S	C	.	.	H	α-helix	trans	-62.8	-42.4	173.1	-75.9	-177.9	27.4	0	0	111.9	E804 E805 L811 K812 L905	E804-Q808 VanDerWaalsContact CG-NE2 3.29Å; E804-Q808 VanDerWaalsContact O-CB 3.31Å; E804-Q808 WeakPolarHBondContact O-CB 3.2Å; E804-Q808 VanDerWaalsContact O-CG 3.22Å; E804-Q808 WeakPolarHBondContact O-CG 3.43Å; E804-Q808 PolarHBondContact O-N 3.02Å; E805-Q808 PolarHBondContact O-N 3.14Å; Q808-L811 PolarHBondContact O-N 2.84Å; Q808-K812 WeakPolarHBondContact O-CB 3.34Å; Q808-K812 PolarHBondContact O-N 2.87Å; Q808-L905 HydrophobicContact CG-CD1 4Å; Q808-L905 HydrophobicContact CG-CD2 3.86Å
809	A	92.5	Very high	92.5	Very high	48 Å²	48	46.5 Å²	46.5	40%	0.397	23%	0.228	S	C	.	.	H	α-helix	trans	-60.3	-49.1	175.7	0	0	0	0	0	111.6	E805 L811 K812 D813	E805-A809 WeakPolarHBondContact O-CB 3.45Å; E805-A809 PolarHBondContact O-N 2.92Å; A809-L811 VanDerWaalsContact C-N 3.33Å; A809-L811 PolarHBondContact O-N 3.27Å; A809-K812 WeakPolarHBondContact O-CB 2.9Å; A809-K812 PolarHBondContact O-N 3.49Å; A809-D813 PolarHBondContact O-N 2.91Å
810	R	92.4	Very high	92.3	Very high	40 Å²	40	52.4 Å²	52.4	15%	0.151	26%	0.259	C	S	.	.	H	α-helix	trans	-71.8	-24.9	178.7	-62.8	-43.9	-173.8	168	-0.3	114	S684 T685 I688 A806 L807 D813 T814 L901	S684-R810 PolarHBondContact OG-NH2 2.72Å; T685-R810 PolarHBondContact OG1-NH2 3.34Å; I688-R810 HydrophobicContact CG1-CG 4.07Å; I688-R810 HydrophobicContact CG2-CG 4.5Å; A806-R810 PolarHBondContact O-N 3.07Å; A806-R810 VanDerWaalsContact O-N 3.17Å; L807-R810 PolarHBondContact O-N 3.48Å; R810-D813 WeakPolarHBondContact CD-OD2 3.47Å; R810-D813 IonicContact CZ-OD2 2.67Å; R810-D813 IonicContact NE-OD2 3.98Å; R810-D813 IonicContact NH1-OD2 3.78Å; R810-D813 PolarHBondContact NH1-OD2 3.29Å; R810-T814 WeakPolarHBondContact O-CB 3.49Å; R810-T814 PolarHBondContact O-N 2.97Å; R810-T814 PolarHBondContact O-OG1 2.98Å; R810-L901 HydrophobicContact CB-CD1 4.14Å; R810-L901 HydrophobicContact CB-CD2 4.45Å
811	L	93.1	Very high	92.1	Very high	24 Å²	24	54.8 Å²	54.8	13%	0.126	27%	0.271	C	S	.	.	H	α-helix	trans	-67.1	-45.5	170	-179.5	148.5	0	0	0	110.6	L807 Q808 A809 D813 T814 E815 L901 K902 L905	L807-L811 WeakPolarHBondContact O-CB 3.33Å; L807-L811 PolarHBondContact O-N 3.32Å; Q808-L811 PolarHBondContact O-N 2.84Å; A809-L811 VanDerWaalsContact C-N 3.33Å; A809-L811 PolarHBondContact O-N 3.27Å; L811-D813 PolarHBondContact O-N 3.25Å; L811-T814 PolarHBondContact O-N 3.43Å; L811-E815 HydrophobicContact CD2-CG 4.23Å; L811-E815 WeakPolarHBondContact O-CG 3.3Å; L811-E815 PolarHBondContact O-N 3.24Å; L811-L901 HydrophobicContact CB-CB 4.28Å; L811-L901 HydrophobicContact CB-CD1 4.38Å; L811-L901 HydrophobicContact CD1-CB 4.34Å; L811-K902 HydrophobicContact CD1-CD 4.27Å; L811-K902 HydrophobicContact CD1-CG 3.44Å; L811-K902 VanDerWaalsContact CD1-CG 3.44Å; L811-L905 HydrophobicContact CD1-CD1 3.72Å
812	K	93.9	Very high	91.8	Very high	142 Å²	142	48.1 Å²	48.1	62%	0.617	25%	0.246	S	C	*	.	H	α-helix	trans	-60	-44.2	175.1	-175.7	-177	177.4	-173.3	0	111.7	Q808 A809 T814 E815 N816	Q808-K812 WeakPolarHBondContact O-CB 3.34Å; Q808-K812 PolarHBondContact O-N 2.87Å; A809-K812 WeakPolarHBondContact O-CB 2.9Å; A809-K812 PolarHBondContact O-N 3.49Å; K812-T814 VanDerWaalsContact C-N 3.34Å; K812-T814 PolarHBondContact O-N 3.34Å; K812-E815 PolarHBondContact O-N 2.9Å; K812-N816 WeakPolarHBondContact O-CB 3.19Å; K812-N816 PolarHBondContact O-N 3.5Å; K812-N816 PolarHBondContact O-ND2 3.25Å; K812-N816 VanDerWaalsContact O-ND2 3.12Å
813	D	91.2	Very high	91.4	Very high	67 Å²	67	47.5 Å²	47.5	36%	0.358	24%	0.243	S	C	.	.	H	α-helix	trans	-56.9	-46.9	172.5	-69.5	-18.7	0	0	0	112	A809 R810 L811 N816 A817	A809-D813 PolarHBondContact O-N 2.91Å; R810-D813 WeakPolarHBondContact CD-OD2 3.47Å; R810-D813 IonicContact CZ-OD2 2.67Å; R810-D813 IonicContact NE-OD2 3.98Å; R810-D813 IonicContact NH1-OD2 3.78Å; R810-D813 PolarHBondContact NH1-OD2 3.29Å; L811-D813 PolarHBondContact O-N 3.25Å; D813-N816 PolarHBondContact O-N 3.36Å; D813-A817 WeakPolarHBondContact O-CB 3.45Å; D813-A817 PolarHBondContact O-N 3.41Å
814	T	91.6	Very high	91	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-70.8	-37.2	-176.7	-52.8	0	0	0	0	111.7	R810 L811 K812 A817 I818 Q894 R897 R898	R810-T814 WeakPolarHBondContact O-CB 3.49Å; R810-T814 PolarHBondContact O-N 2.97Å; R810-T814 PolarHBondContact O-OG1 2.98Å; L811-T814 PolarHBondContact O-N 3.43Å; K812-T814 VanDerWaalsContact C-N 3.34Å; K812-T814 PolarHBondContact O-N 3.34Å; T814-A817 PolarHBondContact O-N 2.86Å; T814-I818 HydrophobicContact CG2-CD1 4.11Å; T814-I818 WeakPolarHBondContact O-CB 3.19Å; T814-I818 VanDerWaalsContact O-CG1 3.25Å; T814-I818 WeakPolarHBondContact O-CG1 3.29Å; T814-I818 PolarHBondContact O-N 3.1Å; T814-Q894 WeakPolarHBondContact CG2-O 3.23Å; T814-R897 HydrophobicContact CG2-CB 4.12Å; T814-R897 HydrophobicContact CG2-CG 4.13Å; T814-R897 PolarHBondContact OG1-NH1 3Å; T814-R898 HydrophobicContact CG2-CB 3.93Å
815	E	92.3	Very high	90.4	Very high	71 Å²	71	50.4 Å²	50.4	33%	0.332	26%	0.261	S	S	.	.	H	α-helix	trans	-69	-36.8	174.4	-69.8	-165.1	147.5	0	0	112.1	L811 K812 I818 E819 R898 K902	L811-E815 HydrophobicContact CD2-CG 4.23Å; L811-E815 WeakPolarHBondContact O-CG 3.3Å; L811-E815 PolarHBondContact O-N 3.24Å; K812-E815 PolarHBondContact O-N 2.9Å; E815-I818 PolarHBondContact O-N 3.05Å; E815-E819 PolarHBondContact O-N 3.45Å; E815-R898 HydrophobicContact CG-CG 3.81Å; E815-R898 WeakPolarHBondContact OE1-CD 3.46Å; E815-K902 VanDerWaalsContact OE1-CE 3.24Å; E815-K902 WeakPolarHBondContact OE1-CE 3.35Å; E815-K902 IonicContact OE1-NZ 3.07Å; E815-K902 PolarHBondContact OE1-NZ 3.03Å
816	N	91.8	Very high	89.7	Confident	81 Å²	81	54.9 Å²	54.9	43%	0.433	27%	0.274	S	S	.	.	H	α-helix	trans	-61.9	-43.8	169.8	-72.2	-31.6	0	0	0	111.9	K812 D813 E819 N820	K812-N816 WeakPolarHBondContact O-CB 3.19Å; K812-N816 PolarHBondContact O-N 3.5Å; K812-N816 PolarHBondContact O-ND2 3.25Å; K812-N816 VanDerWaalsContact O-ND2 3.12Å; D813-N816 PolarHBondContact O-N 3.36Å; N816-E819 PolarHBondContact O-N 2.84Å; N816-N820 PolarHBondContact O-N 2.97Å; N816-N820 PolarHBondContact O-ND2 2.91Å
817	A	91.3	Very high	89.1	Confident	32 Å²	32	60.9 Å²	60.9	26%	0.264	30%	0.299	S	S	.	.	H	α-helix	trans	-62	-44.8	176.3	0	0	0	0	0	111.7	D813 T814 E819 N820 M821	D813-A817 WeakPolarHBondContact O-CB 3.45Å; D813-A817 PolarHBondContact O-N 3.41Å; T814-A817 PolarHBondContact O-N 2.86Å; A817-E819 PolarHBondContact O-N 2.91Å; A817-N820 PolarHBondContact O-N 2.95Å; A817-M821 WeakPolarHBondContact O-CG 3.46Å; A817-M821 PolarHBondContact O-N 3.5Å; A817-M821 VanDerWaalsContact O-N 3.09Å
818	I	90.4	Very high	88.5	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.051	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-41.1	175	-69.8	165.5	0	0	0	111.2	T814 E815 N820 M821 V822 K847 Q894 R898	T814-I818 HydrophobicContact CG2-CD1 4.11Å; T814-I818 WeakPolarHBondContact O-CB 3.19Å; T814-I818 VanDerWaalsContact O-CG1 3.25Å; T814-I818 WeakPolarHBondContact O-CG1 3.29Å; T814-I818 PolarHBondContact O-N 3.1Å; E815-I818 PolarHBondContact O-N 3.05Å; I818-N820 VanDerWaalsContact C-N 3.34Å; I818-N820 PolarHBondContact O-N 3.25Å; I818-M821 PolarHBondContact O-N 3.1Å; I818-V822 HydrophobicContact CG2-CG2 4.06Å; I818-V822 VanDerWaalsContact O-CB 3.24Å; I818-V822 WeakPolarHBondContact O-CB 3.26Å; I818-V822 VanDerWaalsContact O-CG2 3.32Å; I818-V822 WeakPolarHBondContact O-CG2 3.49Å; I818-V822 PolarHBondContact O-N 2.81Å; I818-K847 HydrophobicContact CG2-CD 4.01Å; I818-Q894 HydrophobicContact CD1-CB 4.34Å; I818-Q894 HydrophobicContact CG1-CB 3.83Å; I818-R898 HydrophobicContact CD1-CB 3.73Å; I818-R898 HydrophobicContact CD1-CG 4.14Å
819	E	89.6	Confident	87.9	Confident	60 Å²	60	64.5 Å²	64.5	28%	0.28	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-38.5	176.6	-177.7	169.9	163.4	0	0	112.1	E815 N816 A817 G823 K828	E815-E819 PolarHBondContact O-N 3.45Å; N816-E819 PolarHBondContact O-N 2.84Å; A817-E819 PolarHBondContact O-N 2.91Å; E819-G823 VanDerWaalsContact O-CA 3.23Å; E819-G823 WeakPolarHBondContact O-CA 3.44Å; E819-G823 PolarHBondContact O-N 2.91Å; E819-K828 WeakPolarHBondContact OE1-CD 3.41Å; E819-K828 WeakPolarHBondContact OE1-CE 3.37Å; E819-K828 IonicContact OE1-NZ 2.67Å; E819-K828 PolarHBondContact OE1-NZ 3.48Å; E819-K828 IonicContact OE2-NZ 2.83Å; E819-K828 PolarHBondContact OE2-NZ 3.01Å
820	N	89.3	Confident	87.2	Confident	124 Å²	124	71.3 Å²	71.3	66%	0.663	33%	0.326	S	S	*	.	H	α-helix	trans	-63.4	-43.6	175.4	-71.4	-31.9	0	0	0	111.8	N816 A817 I818 Q840	N816-N820 PolarHBondContact O-N 2.97Å; N816-N820 PolarHBondContact O-ND2 2.91Å; A817-N820 PolarHBondContact O-N 2.95Å; I818-N820 VanDerWaalsContact C-N 3.34Å; I818-N820 PolarHBondContact O-N 3.25Å; N820-Q840 PolarHBondContact O-NE2 3.24Å
821	M	87	Confident	86.7	Confident	51 Å²	51	74.3 Å²	74.3	25%	0.251	35%	0.345	S	S	.	.	H	α-helix	trans	-69.8	-39.3	178.4	-66.3	175.4	78.3	0	0	113.6	A817 I818 Q840 H843 T891 Q894	A817-M821 WeakPolarHBondContact O-CG 3.46Å; A817-M821 PolarHBondContact O-N 3.5Å; A817-M821 VanDerWaalsContact O-N 3.09Å; I818-M821 PolarHBondContact O-N 3.1Å; M821-Q840 WeakPolarHBondContact O-CG 3.22Å; M821-H843 VanDerWaalsContact O-CB 3.27Å; M821-H843 WeakPolarHBondContact O-CB 3.42Å; M821-H843 PolarHBondContact O-CD2 3.05Å; M821-H843 VanDerWaalsContact O-CD2 3.22Å; M821-T891 HydrophobicContact CE-CG2 3.89Å; M821-Q894 HydrophobicContact SD-CG 3.87Å
822	V	87.2	Confident	86	Confident	6 Å²	6	80.8 Å²	80.8	4%	0.036	37%	0.369	C	S	.	.	H	α-helix	trans	-95	-16.5	-172.5	175	0	0	0	0	112.5	I818 R836 H843 N844 K847	I818-V822 HydrophobicContact CG2-CG2 4.06Å; I818-V822 VanDerWaalsContact O-CB 3.24Å; I818-V822 WeakPolarHBondContact O-CB 3.26Å; I818-V822 VanDerWaalsContact O-CG2 3.32Å; I818-V822 WeakPolarHBondContact O-CG2 3.49Å; I818-V822 PolarHBondContact O-N 2.81Å; V822-R836 VanDerWaalsContact O-CD 3.26Å; V822-R836 WeakPolarHBondContact O-CD 3.17Å; V822-R836 PolarHBondContact O-NE 3.13Å; V822-R836 VanDerWaalsContact O-NE 3.16Å; V822-H843 HydrophobicContact CG2-CB 4.29Å; V822-N844 HydrophobicContact CG1-CB 3.89Å; V822-N844 WeakPolarHBondContact CG1-OD1 3.4Å; V822-K847 HydrophobicContact CG1-CD 4.45Å; V822-K847 HydrophobicContact CG2-CB 4.44Å; V822-K847 HydrophobicContact CG2-CD 3.74Å
823	G	84.6	Confident	85.2	Confident	2 Å²	2	81 Å²	81	2%	0.021	37%	0.366	C	S	.	.			trans	71.8	169.5	-176.4	0	0	0	0	0	113.9	E819 D825 R836 Q840	E819-G823 VanDerWaalsContact O-CA 3.23Å; E819-G823 WeakPolarHBondContact O-CA 3.44Å; E819-G823 PolarHBondContact O-N 2.91Å; G823-D825 PolarHBondContact O-N 3.42Å; G823-R836 PolarHBondContact O-NE 3.31Å; G823-R836 PolarHBondContact O-NH2 2.75Å; G823-Q840 VanDerWaalsContact CA-CD 3.42Å
824	P	84.9	Confident	84.7	Confident	18 Å²	18	84.2 Å²	84.2	12%	0.117	38%	0.377	C	S	.	.			trans	-56.5	136.8	-167	20.8	-33.8	0	0	0	113.1	K828 R829 K834 R836	P824-K828 HydrophobicContact CB-CB 3.81Å; P824-R829 HydrophobicContact CB-CG 4.01Å; P824-R829 HydrophobicContact CG-CG 3.91Å; P824-R829 WeakPolarHBondContact O-CD 3.49Å; P824-R829 VanDerWaalsContact O-CG 3.26Å; P824-R829 WeakPolarHBondContact O-CG 3.22Å; P824-K834 HydrophobicContact CG-CB 3.93Å; P824-R836 PolarHBondContact O-NE 3.04Å; P824-R836 PolarHBondContact O-NH2 3.37Å
825	D	81.9	Confident	84.1	Confident	79 Å²	79	90 Å²	90	42%	0.422	41%	0.408	S	S	.	.			trans	-60.9	161.7	172.3	-74.3	-38.1	0	0	0	112.8	G823 K827 K828 R829 R836	G823-D825 PolarHBondContact O-N 3.42Å; D825-K827 PolarHBondContact O-N 3.46Å; D825-K827 VanDerWaalsContact O-N 3.1Å; D825-K828 CarbonylContact O-C 3.58Å; D825-K828 WeakPolarHBondContact O-CA 3.45Å; D825-K828 PolarHBondContact O-N 2.94Å; D825-R829 WeakPolarHBondContact O-CG 3.33Å; D825-R829 PolarHBondContact O-N 3.07Å; D825-R836 IonicContact OD1-NH2 2.97Å
826	W	77.7	Confident	83.8	Confident	193 Å²	193	88.9 Å²	88.9	73%	0.731	40%	0.4	S	S	*	.	H	α-helix	trans	-51	-39.2	179.9	73.8	-94.7	0	0	0	113.3	W830	W826-W830 WeakPolarHBondContact O-CB 3.29Å; W826-W830 PolarHBondContact O-N 2.98Å
827	K	81.1	Confident	83.6	Confident	129 Å²	129	88.2 Å²	88.2	56%	0.561	40%	0.399	S	S	*	.	H	α-helix	trans	-60.7	-51.2	173.4	-62.7	-172.8	179.4	-177.2	0	111.5	D825 W830 L831	D825-K827 PolarHBondContact O-N 3.46Å; D825-K827 VanDerWaalsContact O-N 3.1Å; K827-W830 PolarHBondContact O-N 3.33Å; K827-L831 WeakPolarHBondContact O-CB 3.48Å; K827-L831 VanDerWaalsContact O-CG 3.28Å; K827-L831 WeakPolarHBondContact O-CG 3.48Å; K827-L831 PolarHBondContact O-N 3.14Å
828	K	80.9	Confident	83.1	Confident	80 Å²	80	94.8 Å²	94.8	35%	0.348	43%	0.425	S	S	.	.	H	α-helix	trans	-67.5	-34.9	-179.7	-69.2	-178.9	172.9	-176.7	0	112.4	E819 P824 D825 Y832	E819-K828 WeakPolarHBondContact OE1-CD 3.41Å; E819-K828 WeakPolarHBondContact OE1-CE 3.37Å; E819-K828 IonicContact OE1-NZ 2.67Å; E819-K828 PolarHBondContact OE1-NZ 3.48Å; E819-K828 IonicContact OE2-NZ 2.83Å; E819-K828 PolarHBondContact OE2-NZ 3.01Å; P824-K828 HydrophobicContact CB-CB 3.81Å; D825-K828 CarbonylContact O-C 3.58Å; D825-K828 WeakPolarHBondContact O-CA 3.45Å; D825-K828 PolarHBondContact O-N 2.94Å; K828-Y832 HydrophobicContact CB-CD2 4.39Å; K828-Y832 WeakPolarHBondContact O-CB 3.28Å; K828-Y832 PolarHBondContact O-N 3.46Å
829	R	81.4	Confident	82.8	Confident	97 Å²	97	101 Å²	101	37%	0.366	45%	0.454	S	S	.	.	H	α-helix	trans	-62.4	-43.8	172.5	-68.4	-179.4	65.2	-173.7	-0.1	112.1	P824 D825 W833 K834 N835	P824-R829 HydrophobicContact CB-CG 4.01Å; P824-R829 HydrophobicContact CG-CG 3.91Å; P824-R829 WeakPolarHBondContact O-CD 3.49Å; P824-R829 VanDerWaalsContact O-CG 3.26Å; P824-R829 WeakPolarHBondContact O-CG 3.22Å; D825-R829 WeakPolarHBondContact O-CG 3.33Å; D825-R829 PolarHBondContact O-N 3.07Å; R829-W833 VanDerWaalsContact O-CA 3.24Å; R829-W833 WeakPolarHBondContact O-CA 3.45Å; R829-W833 PolarHBondContact O-N 3.11Å; R829-K834 WeakPolarHBondContact CA-O 3.31Å; R829-K834 VanDerWaalsContact CB-O 3.31Å; R829-K834 WeakPolarHBondContact CB-O 3.38Å; R829-K834 VanDerWaalsContact CG-O 3.3Å; R829-K834 WeakPolarHBondContact CG-O 3.45Å; R829-K834 PolarHBondContact O-N 3.16Å; R829-N835 PolarHBondContact NH2-OD1 2.97Å
830	W	78.1	Confident	82.6	Confident	191 Å²	191	100 Å²	100	72%	0.723	45%	0.449	S	S	*	.	H	α-helix	trans	-72.2	-44.3	-179.9	-170.8	86	0	0	0	112.4	W826 K827	W826-W830 WeakPolarHBondContact O-CB 3.29Å; W826-W830 PolarHBondContact O-N 2.98Å; K827-W830 PolarHBondContact O-N 3.33Å
831	L	81	Confident	82.4	Confident	103 Å²	103	97.3 Å²	97.3	54%	0.539	44%	0.439	S	S	.	.	H	α-helix	trans	-67.4	-49.1	179.4	-70.3	167.8	0	0	0	112.7	K827	K827-L831 WeakPolarHBondContact O-CB 3.48Å; K827-L831 VanDerWaalsContact O-CG 3.28Å; K827-L831 WeakPolarHBondContact O-CG 3.48Å; K827-L831 PolarHBondContact O-N 3.14Å
832	Y	79.7	Confident	82.5	Confident	161 Å²	161	96.4 Å²	96.4	63%	0.631	44%	0.436	S	S	*	.	H	α-helix	trans	-101.2	8.2	-172.2	-60.7	-72.1	0	0	0	114.3	K828 K834	K828-Y832 HydrophobicContact CB-CD2 4.39Å; K828-Y832 WeakPolarHBondContact O-CB 3.28Å; K828-Y832 PolarHBondContact O-N 3.46Å; Y832-K834 PolarHBondContact O-N 2.82Å
833	W	76.8	Confident	82.5	Confident	147 Å²	147	97.6 Å²	97.6	56%	0.557	44%	0.441	S	S	*	.			trans	54.6	21.6	-179.4	-62.7	81.8	0	0	0	115.1	R101 R829	R101-W833 HydrophobicContact CG-CZ2 4.11Å; R101-W833 VanDerWaalsContact CZ-CZ2 3.49Å; R101-W833 VanDerWaalsContact NE-CZ2 3.28Å; R829-W833 VanDerWaalsContact O-CA 3.24Å; R829-W833 WeakPolarHBondContact O-CA 3.45Å; R829-W833 PolarHBondContact O-N 3.11Å
834	K	79.8	Confident	82.7	Confident	133 Å²	133	98.6 Å²	98.6	58%	0.578	45%	0.446	S	S	*	.			trans	-82.3	143.3	177.7	-67	-174.2	177.3	-177.7	0	111.2	P824 R829 Y832	P824-K834 HydrophobicContact CG-CB 3.93Å; R829-K834 WeakPolarHBondContact CA-O 3.31Å; R829-K834 VanDerWaalsContact CB-O 3.31Å; R829-K834 WeakPolarHBondContact CB-O 3.38Å; R829-K834 VanDerWaalsContact CG-O 3.3Å; R829-K834 WeakPolarHBondContact CG-O 3.45Å; R829-K834 PolarHBondContact O-N 3.16Å; Y832-K834 PolarHBondContact O-N 2.82Å
835	N	78.6	Confident	82.9	Confident	122 Å²	122	100.3 Å²	100.3	65%	0.652	45%	0.453	S	S	*	.			trans	-107.9	160.1	167	-80	-48.1	0	0	0	110.4	R829	R829-N835 PolarHBondContact NH2-OD1 2.97Å
836	R	86.1	Confident	83.2	Confident	47 Å²	47	96.6 Å²	96.6	18%	0.177	43%	0.432	C	S	.	.			trans	-82	147.8	171.6	-67.9	179.9	175.8	-176.3	-16.6	109.9	V822 G823 P824 D825 Q840 N844	V822-R836 VanDerWaalsContact O-CD 3.26Å; V822-R836 WeakPolarHBondContact O-CD 3.17Å; V822-R836 PolarHBondContact O-NE 3.13Å; V822-R836 VanDerWaalsContact O-NE 3.16Å; G823-R836 PolarHBondContact O-NE 3.31Å; G823-R836 PolarHBondContact O-NH2 2.75Å; P824-R836 PolarHBondContact O-NE 3.04Å; P824-R836 PolarHBondContact O-NH2 3.37Å; D825-R836 IonicContact OD1-NH2 2.97Å; R836-Q840 HydrophobicContact CB-CB 3.98Å; R836-Q840 HydrophobicContact CG-CB 4.44Å; R836-N844 PolarHBondContact NH1-OD1 2.76Å
837	T	87.7	Confident	83.9	Confident	68 Å²	68	88.7 Å²	88.7	42%	0.417	40%	0.403	S	S	.	.			trans	-71	169.3	167.5	66.8	0	0	0	0	110.7	E839 Q840 C841	T837-E839 VanDerWaalsContact C-N 3.34Å; T837-Q840 PolarHBondContact O-N 3.47Å; T837-Q840 WeakPolarHBondContact OG1-CB 3.36Å; T837-Q840 WeakPolarHBondContact OG1-CG 3.39Å; T837-Q840 PolarHBondContact OG1-N 3.06Å; T837-Q840 VanDerWaalsContact OG1-N 3.12Å; T837-C841 PolarHBondContact O-N 3Å
838	Q	81.9	Confident	84.3	Confident	170 Å²	170	85 Å²	85	79%	0.794	39%	0.39	S	S	*	.	H	α-helix	trans	-60.6	-44.6	174.8	-175.8	170.2	-17.5	0	0	111.2	C841 V842	Q838-C841 WeakPolarHBondContact O-CA 3.38Å; Q838-C841 VanDerWaalsContact O-CB 3.29Å; Q838-C841 WeakPolarHBondContact O-CB 3.15Å; Q838-C841 PolarHBondContact O-N 3.08Å; Q838-C841 VanDerWaalsContact O-N 3.09Å; Q838-V842 PolarHBondContact O-N 3.34Å
839	E	82.9	Confident	84.7	Confident	141 Å²	141	81.9 Å²	81.9	66%	0.659	38%	0.376	S	S	*	.	H	α-helix	trans	-60.3	-46	175.8	-62	158	160.3	0	0	112	T837 C841 V842 H843	T837-E839 VanDerWaalsContact C-N 3.34Å; E839-C841 PolarHBondContact O-N 3.06Å; E839-V842 WeakPolarHBondContact O-CB 3.19Å; E839-V842 PolarHBondContact O-N 2.61Å; E839-V842 VanDerWaalsContact O-N 3.08Å; E839-H843 PolarHBondContact O-CD2 3.37Å; E839-H843 PolarHBondContact O-N 3.32Å
840	Q	86.8	Confident	85.1	Confident	39 Å²	39	77.2 Å²	77.2	18%	0.182	36%	0.359	C	S	.	.	H	α-helix	trans	-60.7	-31.3	174.4	-77.6	176.1	-18.8	0	0	112.3	N820 M821 G823 R836 T837 N844	N820-Q840 PolarHBondContact O-NE2 3.24Å; M821-Q840 WeakPolarHBondContact O-CG 3.22Å; G823-Q840 VanDerWaalsContact CA-CD 3.42Å; R836-Q840 HydrophobicContact CB-CB 3.98Å; R836-Q840 HydrophobicContact CG-CB 4.44Å; T837-Q840 PolarHBondContact O-N 3.47Å; T837-Q840 WeakPolarHBondContact OG1-CB 3.36Å; T837-Q840 WeakPolarHBondContact OG1-CG 3.39Å; T837-Q840 PolarHBondContact OG1-N 3.06Å; T837-Q840 VanDerWaalsContact OG1-N 3.12Å; Q840-N844 WeakPolarHBondContact O-CB 3.17Å; Q840-N844 PolarHBondContact O-N 3.2Å
841	C	85.2	Confident	85.6	Confident	66 Å²	66	69.8 Å²	69.8	45%	0.446	33%	0.332	S	S	.	.	H	α-helix	trans	-72.1	-37.4	174.8	-148.7	0	0	0	0	111.9	T837 Q838 E839 N844 E845	T837-C841 PolarHBondContact O-N 3Å; Q838-C841 WeakPolarHBondContact O-CA 3.38Å; Q838-C841 VanDerWaalsContact O-CB 3.29Å; Q838-C841 WeakPolarHBondContact O-CB 3.15Å; Q838-C841 PolarHBondContact O-N 3.08Å; Q838-C841 VanDerWaalsContact O-N 3.09Å; E839-C841 PolarHBondContact O-N 3.06Å; C841-N844 WeakPolarHBondContact O-CB 3.42Å; C841-N844 PolarHBondContact O-N 3.44Å; C841-E845 PolarHBondContact O-N 3.02Å
842	V	87.7	Confident	85.9	Confident	33 Å²	33	69.4 Å²	69.4	20%	0.2	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-51.1	170.9	176.5	0	0	0	0	110.5	Q838 E839 N844 E845 T846 V881 V883 L887	Q838-V842 PolarHBondContact O-N 3.34Å; E839-V842 WeakPolarHBondContact O-CB 3.19Å; E839-V842 PolarHBondContact O-N 2.61Å; E839-V842 VanDerWaalsContact O-N 3.08Å; V842-N844 PolarHBondContact O-N 2.64Å; V842-E845 PolarHBondContact O-N 3.5Å; V842-E845 VanDerWaalsContact O-N 3.1Å; V842-T846 PolarHBondContact O-N 3.14Å; V842-T846 PolarHBondContact O-OG1 3.3Å; V842-T846 VanDerWaalsContact O-OG1 3.11Å; V842-V881 HydrophobicContact CB-CG1 4.35Å; V842-V881 HydrophobicContact CG1-CG1 3.99Å; V842-V881 HydrophobicContact CG2-CG1 4.05Å; V842-V883 HydrophobicContact CG1-CG1 4.32Å; V842-V883 HydrophobicContact CG1-CG2 3.7Å; V842-L887 HydrophobicContact CG1-CD2 4.16Å
843	H	87.9	Confident	86.2	Confident	30 Å²	30	63.9 Å²	63.9	14%	0.139	31%	0.306	C	S	.	.	H	α-helix	trans	-56.6	-34.5	176.4	-75.7	-67	0	0	0	112.7	M821 V822 E839 K847 T891	M821-H843 VanDerWaalsContact O-CB 3.27Å; M821-H843 WeakPolarHBondContact O-CB 3.42Å; M821-H843 PolarHBondContact O-CD2 3.05Å; M821-H843 VanDerWaalsContact O-CD2 3.22Å; V822-H843 HydrophobicContact CG2-CB 4.29Å; E839-H843 PolarHBondContact O-CD2 3.37Å; E839-H843 PolarHBondContact O-N 3.32Å; H843-K847 WeakPolarHBondContact O-CB 3.29Å; H843-K847 PolarHBondContact O-N 3.33Å; H843-T891 HydrophobicContact CB-CG2 4.43Å; H843-T891 WeakPolarHBondContact ND1-CG2 3.38Å
844	N	89.7	Confident	86.7	Confident	23 Å²	23	57.1 Å²	57.1	12%	0.123	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-49.1	174	-171.5	78.6	0	0	0	112.5	V822 R836 Q840 C841 V842 K847 N848	V822-N844 HydrophobicContact CG1-CB 3.89Å; V822-N844 WeakPolarHBondContact CG1-OD1 3.4Å; R836-N844 PolarHBondContact NH1-OD1 2.76Å; Q840-N844 WeakPolarHBondContact O-CB 3.17Å; Q840-N844 PolarHBondContact O-N 3.2Å; C841-N844 WeakPolarHBondContact O-CB 3.42Å; C841-N844 PolarHBondContact O-N 3.44Å; V842-N844 PolarHBondContact O-N 2.64Å; N844-K847 PolarHBondContact O-N 3.29Å; N844-N848 PolarHBondContact ND2-ND2 3.42Å; N844-N848 VanDerWaalsContact ND2-ND2 3.11Å; N844-N848 WeakPolarHBondContact O-CB 3.37Å; N844-N848 PolarHBondContact O-N 3.46Å; N844-N848 PolarHBondContact O-ND2 3.4Å; N844-N848 PolarHBondContact O-OD1 2.88Å
845	E	87.9	Confident	86.9	Confident	55 Å²	55	57.9 Å²	57.9	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-70.8	-37.8	-178.5	-63.9	-43.6	119.7	0	0	112.4	C841 V842 N848 E849 L876	C841-E845 PolarHBondContact O-N 3.02Å; V842-E845 PolarHBondContact O-N 3.5Å; V842-E845 VanDerWaalsContact O-N 3.1Å; E845-N848 PolarHBondContact O-N 3.15Å; E845-N848 PolarHBondContact OE1-ND2 2.98Å; E845-N848 PolarHBondContact OE2-ND2 3.44Å; E845-E849 PolarHBondContact O-N 3.41Å; E845-E849 VanDerWaalsContact O-N 3.08Å; E845-L876 HydrophobicContact CB-CD2 4Å
846	T	88.7	Confident	87.2	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.9	-48.5	171.4	-52.3	0	0	0	0	110.9	V842 N848 E849 L850 L876 I888 T891	V842-T846 PolarHBondContact O-N 3.14Å; V842-T846 PolarHBondContact O-OG1 3.3Å; V842-T846 VanDerWaalsContact O-OG1 3.11Å; T846-N848 PolarHBondContact O-N 2.86Å; T846-E849 PolarHBondContact O-N 3.47Å; T846-L850 HydrophobicContact CG2-CD1 3.97Å; T846-L850 HydrophobicContact CG2-CG 4.47Å; T846-L850 VanDerWaalsContact O-CG 3.31Å; T846-L850 WeakPolarHBondContact O-CG 3.47Å; T846-L850 PolarHBondContact O-N 3.32Å; T846-L876 HydrophobicContact CG2-CD1 4.09Å; T846-I888 HydrophobicContact CG2-CG1 4.07Å; T846-T891 VanDerWaalsContact CG2-OG1 3.25Å; T846-T891 WeakPolarHBondContact CG2-OG1 3.35Å
847	K	91.1	Very high	86.9	Confident	28 Å²	28	58.9 Å²	58.9	12%	0.122	30%	0.301	C	S	.	.	H	α-helix	trans	-56.5	-45.9	172.9	169	-179.2	169	-169.7	0	112	I818 V822 H843 N844 E849 L850 E851 V895	I818-K847 HydrophobicContact CG2-CD 4.01Å; V822-K847 HydrophobicContact CG1-CD 4.45Å; V822-K847 HydrophobicContact CG2-CB 4.44Å; V822-K847 HydrophobicContact CG2-CD 3.74Å; H843-K847 WeakPolarHBondContact O-CB 3.29Å; H843-K847 PolarHBondContact O-N 3.33Å; N844-K847 PolarHBondContact O-N 3.29Å; K847-E849 PolarHBondContact O-N 2.95Å; K847-L850 PolarHBondContact O-N 3.02Å; K847-E851 WeakPolarHBondContact CE-OE1 3.03Å; K847-E851 HydrophobicContact CG-CG 4.17Å; K847-E851 IonicContact NZ-OE1 3.46Å; K847-E851 WeakPolarHBondContact O-CB 3.4Å; K847-E851 WeakPolarHBondContact O-CG 3.26Å; K847-E851 PolarHBondContact O-N 3.39Å; K847-V895 HydrophobicContact CB-CG2 4.26Å; K847-V895 HydrophobicContact CD-CG2 4.49Å; K847-V895 HydrophobicContact CG-CG2 3.91Å
848	N	89.7	Confident	86.1	Confident	51 Å²	51	63.1 Å²	63.1	27%	0.273	32%	0.316	S	S	.	.	H	α-helix	trans	-62.7	-28.1	-178.6	-70.1	-21.9	0	0	0	112.8	N844 E845 T846 K852	N844-N848 PolarHBondContact ND2-ND2 3.42Å; N844-N848 VanDerWaalsContact ND2-ND2 3.11Å; N844-N848 WeakPolarHBondContact O-CB 3.37Å; N844-N848 PolarHBondContact O-N 3.46Å; N844-N848 PolarHBondContact O-ND2 3.4Å; N844-N848 PolarHBondContact O-OD1 2.88Å; E845-N848 PolarHBondContact O-N 3.15Å; E845-N848 PolarHBondContact OE1-ND2 2.98Å; E845-N848 PolarHBondContact OE2-ND2 3.44Å; T846-N848 PolarHBondContact O-N 2.86Å; N848-K852 WeakPolarHBondContact O-CE 3.26Å; N848-K852 WeakPolarHBondContact O-CG 3.43Å
849	E	89.9	Confident	85.6	Confident	14 Å²	14	63.5 Å²	63.5	7%	0.065	32%	0.318	C	S	.	.	H	α-helix	trans	-82	-44	175.5	-156.5	69.3	166.4	0	0	112.1	E845 T846 K847 E851 K852 M853 N875 L876 R879	E845-E849 PolarHBondContact O-N 3.41Å; E845-E849 VanDerWaalsContact O-N 3.08Å; T846-E849 PolarHBondContact O-N 3.47Å; K847-E849 PolarHBondContact O-N 2.95Å; E849-E851 VanDerWaalsContact C-N 3.32Å; E849-E851 PolarHBondContact O-N 2.91Å; E849-K852 WeakPolarHBondContact O-CB 3.43Å; E849-K852 PolarHBondContact O-N 2.99Å; E849-K852 IonicContact OE2-NZ 2.8Å; E849-K852 PolarHBondContact OE2-NZ 3.17Å; E849-M853 PolarHBondContact O-N 3.08Å; E849-N875 HydrophobicContact CG-CB 4.27Å; E849-N875 WeakPolarHBondContact OE1-CB 3.3Å; E849-N875 PolarHBondContact OE1-ND2 3.38Å; E849-L876 HydrophobicContact CB-CD2 4.47Å; E849-R879 IonicContact OE1-CZ 2.95Å; E849-R879 IonicContact OE1-NH1 2.76Å; E849-R879 IonicContact OE1-NH2 3.6Å; E849-R879 PolarHBondContact OE1-NH2 3Å; E849-R879 IonicContact OE2-CZ 3.04Å; E849-R879 IonicContact OE2-NH1 3.18Å; E849-R879 PolarHBondContact OE2-NH1 3.02Å; E849-R879 IonicContact OE2-NH2 3.23Å; E849-R879 PolarHBondContact OE2-NH2 2.98Å
850	L	89.3	Confident	85.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-35.8	176.4	-64.8	176.1	0	0	0	112.4	T846 K847 K852 M853 L854 L864 V872 I888 W892	T846-L850 HydrophobicContact CG2-CD1 3.97Å; T846-L850 HydrophobicContact CG2-CG 4.47Å; T846-L850 VanDerWaalsContact O-CG 3.31Å; T846-L850 WeakPolarHBondContact O-CG 3.47Å; T846-L850 PolarHBondContact O-N 3.32Å; K847-L850 PolarHBondContact O-N 3.02Å; L850-K852 PolarHBondContact O-N 3.5Å; L850-M853 HydrophobicContact CD2-SD 4.22Å; L850-M853 PolarHBondContact O-N 3.14Å; L850-L854 PolarHBondContact O-N 3.42Å; L850-L864 HydrophobicContact CD2-CD1 4.05Å; L850-V872 HydrophobicContact CD2-CB 4.48Å; L850-V872 HydrophobicContact CD2-CG1 3.99Å; L850-V872 HydrophobicContact CD2-CG2 3.76Å; L850-V872 HydrophobicContact CG-CG1 4.47Å; L850-I888 HydrophobicContact CD2-CG2 4.38Å; L850-W892 HydrophobicContact CB-CE3 4.02Å; L850-W892 HydrophobicContact CB-CZ3 4.35Å; L850-W892 HydrophobicContact CD1-CB 3.97Å; L850-W892 HydrophobicContact CD1-CE3 4.26Å; L850-W892 HydrophobicContact CD2-CE3 3.81Å; L850-W892 HydrophobicContact CD2-CZ3 4.33Å; L850-W892 HydrophobicContact CG-CE3 4.23Å
851	E	89.3	Confident	85.3	Confident	34 Å²	34	57.6 Å²	57.6	16%	0.159	30%	0.295	C	S	.	.	H	α-helix	trans	-64.7	-19.3	171.5	-80.2	-165	-175.8	0	0	113.8	K847 E849 K855 V895 R898	K847-E851 WeakPolarHBondContact CE-OE1 3.03Å; K847-E851 HydrophobicContact CG-CG 4.17Å; K847-E851 IonicContact NZ-OE1 3.46Å; K847-E851 WeakPolarHBondContact O-CB 3.4Å; K847-E851 WeakPolarHBondContact O-CG 3.26Å; K847-E851 PolarHBondContact O-N 3.39Å; E849-E851 VanDerWaalsContact C-N 3.32Å; E849-E851 PolarHBondContact O-N 2.91Å; E851-K855 VanDerWaalsContact O-CD 3.27Å; E851-K855 WeakPolarHBondContact O-CD 3.23Å; E851-K855 VanDerWaalsContact O-CG 3.25Å; E851-K855 WeakPolarHBondContact O-CG 3.24Å; E851-K855 IonicContact OE2-NZ 3.07Å; E851-V895 HydrophobicContact CG-CG1 3.98Å; E851-R898 IonicContact OE1-CZ 2.96Å; E851-R898 VanDerWaalsContact OE1-CZ 3.23Å; E851-R898 IonicContact OE1-NH1 3.15Å; E851-R898 PolarHBondContact OE1-NH1 3Å; E851-R898 IonicContact OE1-NH2 2.68Å; E851-R898 PolarHBondContact OE1-NH2 3.45Å
852	K	87.9	Confident	85	Confident	96 Å²	96	55.7 Å²	55.7	42%	0.417	28%	0.284	S	S	.	.	H	α-helix	trans	-81.2	-40.2	173.5	-65.9	164.2	-165	163.8	0	111.1	N848 E849 L850 L854 K855 C856	N848-K852 WeakPolarHBondContact O-CE 3.26Å; N848-K852 WeakPolarHBondContact O-CG 3.43Å; E849-K852 WeakPolarHBondContact O-CB 3.43Å; E849-K852 PolarHBondContact O-N 2.99Å; E849-K852 IonicContact OE2-NZ 2.8Å; E849-K852 PolarHBondContact OE2-NZ 3.17Å; L850-K852 PolarHBondContact O-N 3.5Å; K852-L854 VanDerWaalsContact C-N 3.32Å; K852-L854 PolarHBondContact O-N 3.09Å; K852-K855 CarbonylContact O-C 3.58Å; K852-K855 PolarHBondContact O-N 3.43Å; K852-K855 VanDerWaalsContact O-N 3.08Å; K852-C856 PolarHBondContact O-N 2.84Å; K852-C856 VanDerWaalsContact O-N 3.07Å; K852-C856 PolarHBondContact O-SG 3.1Å; K852-C856 VanDerWaalsContact O-SG 3.4Å
853	M	86.4	Confident	84.9	Confident	44 Å²	44	61.9 Å²	61.9	22%	0.217	31%	0.305	C	S	.	.	H	α-helix	trans	-56.6	-47.6	176.1	-69.4	179.4	59.8	0	0	111.2	E849 L850 K855 C856 N857 L864 E868 V872	E849-M853 PolarHBondContact O-N 3.08Å; L850-M853 HydrophobicContact CD2-SD 4.22Å; L850-M853 PolarHBondContact O-N 3.14Å; M853-K855 VanDerWaalsContact C-N 3.27Å; M853-K855 PolarHBondContact O-N 2.86Å; M853-C856 PolarHBondContact O-N 3.22Å; M853-N857 PolarHBondContact O-N 3.13Å; M853-L864 HydrophobicContact CE-CD2 3.8Å; M853-E868 HydrophobicContact CE-CB 4.07Å; M853-E868 HydrophobicContact CE-CG 4.08Å; M853-V872 HydrophobicContact SD-CG2 3.41Å; M853-V872 WeakPolarHBondContact SD-CG2 3.26Å
854	L	86.5	Confident	84.8	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.031	30%	0.303	C	S	.	.	H	α-helix	trans	-64.9	-26.1	177	-69.5	166	0	0	0	113.9	L850 K852 C856 N857 H860 W892 V895 Y896 H899	L850-L854 PolarHBondContact O-N 3.42Å; K852-L854 VanDerWaalsContact C-N 3.32Å; K852-L854 PolarHBondContact O-N 3.09Å; L854-C856 VanDerWaalsContact C-N 3.33Å; L854-N857 CarbonylContact O-C 3.6Å; L854-H860 HydrophobicContact CD2-CB 3.81Å; L854-W892 HydrophobicContact CD1-CH2 4.17Å; L854-W892 HydrophobicContact CD1-CZ3 3.91Å; L854-W892 HydrophobicContact CD2-CH2 3.57Å; L854-W892 HydrophobicContact CD2-CZ2 4.32Å; L854-W892 HydrophobicContact CD2-CZ3 4.14Å; L854-W892 HydrophobicContact CG-CH2 3.75Å; L854-W892 HydrophobicContact CG-CZ3 3.79Å; L854-V895 HydrophobicContact CD1-CG1 3.89Å; L854-Y896 HydrophobicContact CD2-CD2 4.07Å; L854-Y896 HydrophobicContact CD2-CE2 4.43Å; L854-H899 HydrophobicContact CD1-CB 4.01Å
855	K	84.8	Confident	84.6	Confident	149 Å²	149	61.8 Å²	61.8	65%	0.648	31%	0.31	S	S	*	.	H	α-helix	trans	-81.6	-11.7	172.6	-72.1	168.8	-171.7	162	0	113.6	E851 K852 M853	E851-K855 VanDerWaalsContact O-CD 3.27Å; E851-K855 WeakPolarHBondContact O-CD 3.23Å; E851-K855 VanDerWaalsContact O-CG 3.25Å; E851-K855 WeakPolarHBondContact O-CG 3.24Å; E851-K855 IonicContact OE2-NZ 3.07Å; K852-K855 CarbonylContact O-C 3.58Å; K852-K855 PolarHBondContact O-N 3.43Å; K852-K855 VanDerWaalsContact O-N 3.08Å; M853-K855 VanDerWaalsContact C-N 3.27Å; M853-K855 PolarHBondContact O-N 2.86Å
856	C	83.7	Confident	84.5	Confident	117 Å²	117	64 Å²	64	79%	0.791	33%	0.331	S	S	*	.	H	α-helix	trans	-100.9	-18.3	174.5	-66.6	0	0	0	0	112.5	K852 M853 L854	K852-C856 PolarHBondContact O-N 2.84Å; K852-C856 VanDerWaalsContact O-N 3.07Å; K852-C856 PolarHBondContact O-SG 3.1Å; K852-C856 VanDerWaalsContact O-SG 3.4Å; M853-C856 PolarHBondContact O-N 3.22Å; L854-C856 VanDerWaalsContact C-N 3.33Å
857	N	80.9	Confident	84.3	Confident	72 Å²	72	69 Å²	69	39%	0.385	36%	0.358	S	S	.	.			trans	-144.7	102.4	174.4	-179.1	13.4	0	0	0	109.6	M853 L854 E859	M853-N857 PolarHBondContact O-N 3.13Å; L854-N857 CarbonylContact O-C 3.6Å; N857-E859 VanDerWaalsContact C-N 3.32Å; N857-E859 PolarHBondContact OD1-N 2.84Å
858	E	70.9	Confident	84.1	Confident	158 Å²	158	70.2 Å²	70.2	74%	0.738	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-25.1	-178.7	-58.8	-169.7	153.9	0	0	112.2	H860	E858-H860 VanDerWaalsContact C-N 3.33Å; E858-H860 PolarHBondContact O-N 3.45Å
859	E	71.4	Confident	84.1	Confident	177 Å²	177	68.5 Å²	68.5	83%	0.827	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	28.6	-179.6	-60.9	-174.6	161.7	0	0	113	N857	N857-E859 VanDerWaalsContact C-N 3.32Å; N857-E859 PolarHBondContact OD1-N 2.84Å
860	H	82.4	Confident	83.9	Confident	8 Å²	8	71 Å²	71	4%	0.037	37%	0.371	C	S	.	.			trans	-62.6	136.1	-176.9	-154.6	-62.7	0	0	0	112.3	L854 E858 E868 W892 Y896	L854-H860 HydrophobicContact CD2-CB 3.81Å; E858-H860 VanDerWaalsContact C-N 3.33Å; E858-H860 PolarHBondContact O-N 3.45Å; H860-E868 IonicContact CE1-OE1 2.66Å; H860-E868 IonicContact CE1-OE2 3.76Å; H860-E868 IonicContact NE2-OE1 2.78Å; H860-E868 PolarHBondContact NE2-OE1 2.82Å; H860-E868 IonicContact NE2-OE2 2.84Å; H860-W892 AromaticContact CD2-CH2 3.84Å; H860-W892 AromaticContact CE1-CH2 3.7Å; H860-W892 AromaticContact CE1-CZ2 3.62Å; H860-W892 AromaticContact CG-CH2 3.79Å; H860-W892 AromaticContact CG-CZ2 3.96Å; H860-W892 AromaticContact ND1-CH2 3.68Å; H860-W892 AromaticContact ND1-CZ2 3.43Å; H860-W892 WeakPolarHBondContact ND1-CZ2 3.4Å; H860-W892 AromaticContact NE2-CH2 3.76Å; H860-Y896 HydrophobicContact CB-CE2 4.46Å; H860-Y896 WeakPolarHBondContact O-CE2 3.34Å; H860-Y896 PolarHBondContact O-OH 3Å
861	P	79.5	Confident	83.8	Confident	48 Å²	48	74.6 Å²	74.6	31%	0.312	39%	0.393	S	S	.	.			trans	-64.8	155.7	169.5	27.2	-35.7	0	0	0	111.8	Y863	P861-Y863 HydrophobicContact CB-CD1 4.13Å; P861-Y863 HydrophobicContact CB-CE1 3.86Å; P861-Y863 PolarHBondContact O-N 2.88Å
862	A	80.4	Confident	83.7	Confident	27 Å²	27	73 Å²	73	22%	0.223	39%	0.386	C	S	.	.	S	Bend	trans	-69.2	-16	-177	0	0	0	0	0	114.8	Q697 W892 Y896	Q697-A862 VanDerWaalsContact CD-CB 3.5Å; A862-W892 PolarHBondContact O-NE1 3.48Å; A862-Y896 VanDerWaalsContact CA-CZ 3.46Å; A862-Y896 HydrophobicContact CB-CD1 3.84Å; A862-Y896 HydrophobicContact CB-CE1 3.35Å; A862-Y896 HydrophobicContact CB-CE2 4.49Å; A862-Y896 PolarHBondContact N-OH 3.49Å
863	Y	83.8	Confident	83.8	Confident	163 Å²	163	71.9 Å²	71.9	64%	0.639	38%	0.379	S	S	*	.	S	Bend	trans	-99.8	139.1	173.9	63.7	-88.6	0	0	0	110.6	P861	P861-Y863 HydrophobicContact CB-CD1 4.13Å; P861-Y863 HydrophobicContact CB-CE1 3.86Å; P861-Y863 PolarHBondContact O-N 2.88Å
864	L	85.8	Confident	83.8	Confident	18 Å²	18	76 Å²	76	9%	0.094	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-79.9	137.9	164.2	-70.6	169.9	0	0	0	110	L850 M853 E868 I869 I888 W892	L850-L864 HydrophobicContact CD2-CD1 4.05Å; M853-L864 HydrophobicContact CE-CD2 3.8Å; L864-E868 WeakPolarHBondContact CA-OE2 3.27Å; L864-E868 HydrophobicContact CD2-CB 4.26Å; L864-I869 HydrophobicContact CB-CD1 4.01Å; L864-I869 HydrophobicContact CB-CG1 3.71Å; L864-I869 HydrophobicContact CD1-CG1 4.04Å; L864-I888 HydrophobicContact CD1-CG2 4.02Å; L864-W892 HydrophobicContact CD1-CB 3.69Å; L864-W892 HydrophobicContact CD1-CD2 3.79Å; L864-W892 HydrophobicContact CD1-CE3 4.16Å; L864-W892 HydrophobicContact CD1-CG 3.58Å; L864-W892 HydrophobicContact CD2-CD2 3.81Å; L864-W892 HydrophobicContact CD2-CE3 3.91Å; L864-W892 HydrophobicContact CD2-CG 4.4Å; L864-W892 HydrophobicContact CD2-CH2 3.98Å; L864-W892 HydrophobicContact CD2-CZ2 3.95Å; L864-W892 HydrophobicContact CD2-CZ3 3.98Å; L864-W892 HydrophobicContact CG-CB 4.31Å; L864-W892 HydrophobicContact CG-CD2 3.58Å; L864-W892 HydrophobicContact CG-CE3 4.13Å; L864-W892 HydrophobicContact CG-CG 3.65Å; L864-W892 HydrophobicContact CG-CZ2 4.3Å
865	A	86.8	Confident	83.9	Confident	33 Å²	33	78.7 Å²	78.7	27%	0.273	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-73	160.7	169.5	0	0	0	0	0	111.7	D867 E868 I869	A865-D867 VanDerWaalsContact C-N 3.34Å; A865-D867 WeakPolarHBondContact CB-OD1 3.46Å; A865-D867 PolarHBondContact O-N 3.28Å; A865-E868 HydrophobicContact CB-CB 4.46Å; A865-E868 HydrophobicContact CB-CG 4.09Å; A865-E868 PolarHBondContact N-OE2 2.8Å; A865-E868 WeakPolarHBondContact O-CB 3.44Å; A865-E868 PolarHBondContact O-N 3.41Å; A865-I869 WeakPolarHBondContact O-CG1 3.32Å; A865-I869 PolarHBondContact O-N 3.34Å
866	S	84.6	Confident	84.1	Confident	101 Å²	101	71.6 Å²	71.6	71%	0.706	38%	0.379	S	S	*	.	H	α-helix	trans	-67.4	-34.9	-173.5	-64.7	0	0	0	0	113.1	T870	S866-T870 WeakPolarHBondContact O-CG2 3.31Å; S866-T870 PolarHBondContact O-N 3.42Å; S866-T870 VanDerWaalsContact O-N 3.17Å
867	D	86.1	Confident	84.3	Confident	106 Å²	106	70.2 Å²	70.2	57%	0.567	36%	0.361	S	S	*	.	H	α-helix	trans	-69	-43	173.8	56.1	-29.1	0	0	0	112	A865 I869 T870 T871	A865-D867 VanDerWaalsContact C-N 3.34Å; A865-D867 WeakPolarHBondContact CB-OD1 3.46Å; A865-D867 PolarHBondContact O-N 3.28Å; D867-I869 PolarHBondContact O-N 3.42Å; D867-T870 PolarHBondContact O-N 2.9Å; D867-T870 VanDerWaalsContact O-N 3.15Å; D867-T870 PolarHBondContact O-OG1 3.39Å; D867-T871 PolarHBondContact O-N 3.15Å; D867-T871 PolarHBondContact O-OG1 2.99Å
868	E	86.9	Confident	84.6	Confident	52 Å²	52	71.3 Å²	71.3	24%	0.243	37%	0.374	C	S	.	.	H	α-helix	trans	-55.4	-48.3	171.6	-67.9	177.7	152.5	0	0	111.5	M853 H860 L864 A865 T870 T871 V872	M853-E868 HydrophobicContact CE-CB 4.07Å; M853-E868 HydrophobicContact CE-CG 4.08Å; H860-E868 IonicContact CE1-OE1 2.66Å; H860-E868 IonicContact CE1-OE2 3.76Å; H860-E868 IonicContact NE2-OE1 2.78Å; H860-E868 PolarHBondContact NE2-OE1 2.82Å; H860-E868 IonicContact NE2-OE2 2.84Å; L864-E868 WeakPolarHBondContact CA-OE2 3.27Å; L864-E868 HydrophobicContact CD2-CB 4.26Å; A865-E868 HydrophobicContact CB-CB 4.46Å; A865-E868 HydrophobicContact CB-CG 4.09Å; A865-E868 PolarHBondContact N-OE2 2.8Å; A865-E868 WeakPolarHBondContact O-CB 3.44Å; A865-E868 PolarHBondContact O-N 3.41Å; E868-T870 VanDerWaalsContact C-N 3.32Å; E868-T870 PolarHBondContact O-N 3.14Å; E868-T871 WeakPolarHBondContact O-CA 3.37Å; E868-T871 WeakPolarHBondContact O-CB 3.49Å; E868-T871 PolarHBondContact O-N 2.8Å; E868-V872 WeakPolarHBondContact O-CG2 3.29Å; E868-V872 PolarHBondContact O-N 2.86Å
869	I	88.2	Confident	85.2	Confident	15 Å²	15	69.2 Å²	69.2	8%	0.077	36%	0.36	C	S	.	.	H	α-helix	trans	-59.6	-41.7	176.8	-65.3	161.4	0	0	0	111.1	L864 A865 D867 T871 R873 P885 I888 K889	L864-I869 HydrophobicContact CB-CD1 4.01Å; L864-I869 HydrophobicContact CB-CG1 3.71Å; L864-I869 HydrophobicContact CD1-CG1 4.04Å; A865-I869 WeakPolarHBondContact O-CG1 3.32Å; A865-I869 PolarHBondContact O-N 3.34Å; D867-I869 PolarHBondContact O-N 3.42Å; I869-T871 VanDerWaalsContact C-N 3.29Å; I869-T871 PolarHBondContact O-N 3.24Å; I869-R873 WeakPolarHBondContact O-CB 3.47Å; I869-R873 PolarHBondContact O-N 2.94Å; I869-P885 HydrophobicContact CG2-CB 4.01Å; I869-I888 HydrophobicContact CG2-CD1 4.36Å; I869-I888 HydrophobicContact CG2-CG2 4.43Å; I869-K889 HydrophobicContact CD1-CD 4.43Å; I869-K889 HydrophobicContact CD1-CG 4.15Å
870	T	86.3	Confident	85.6	Confident	67 Å²	67	64.1 Å²	64.1	41%	0.411	36%	0.355	S	S	.	.	H	α-helix	trans	-69	-26.6	175.3	65.8	0	0	0	0	113.4	S866 D867 E868 K874	S866-T870 WeakPolarHBondContact O-CG2 3.31Å; S866-T870 PolarHBondContact O-N 3.42Å; S866-T870 VanDerWaalsContact O-N 3.17Å; D867-T870 PolarHBondContact O-N 2.9Å; D867-T870 VanDerWaalsContact O-N 3.15Å; D867-T870 PolarHBondContact O-OG1 3.39Å; E868-T870 VanDerWaalsContact C-N 3.32Å; E868-T870 PolarHBondContact O-N 3.14Å; T870-K874 WeakPolarHBondContact O-CB 3.43Å; T870-K874 VanDerWaalsContact O-CG 3.26Å; T870-K874 WeakPolarHBondContact O-CG 3.48Å; T870-K874 PolarHBondContact O-N 3.03Å
871	T	88.3	Confident	85.7	Confident	75 Å²	75	65 Å²	65	46%	0.46	36%	0.361	S	S	.	.	H	α-helix	trans	-75	-47.5	177.6	-57.6	0	0	0	0	110.6	D867 E868 I869 R873 K874 N875	D867-T871 PolarHBondContact O-N 3.15Å; D867-T871 PolarHBondContact O-OG1 2.99Å; E868-T871 WeakPolarHBondContact O-CA 3.37Å; E868-T871 WeakPolarHBondContact O-CB 3.49Å; E868-T871 PolarHBondContact O-N 2.8Å; I869-T871 VanDerWaalsContact C-N 3.29Å; I869-T871 PolarHBondContact O-N 3.24Å; T871-R873 VanDerWaalsContact C-N 3.34Å; T871-R873 PolarHBondContact O-N 3.17Å; T871-K874 PolarHBondContact O-N 3.38Å; T871-N875 PolarHBondContact O-N 3.48Å; T871-N875 PolarHBondContact O-OD1 2.81Å
872	V	87.2	Confident	85.8	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.012	39%	0.385	C	S	.	.	H	α-helix	trans	-57.7	-46.7	172.6	174.9	0	0	0	0	110.6	L850 M853 E868 N875 L876 I888	L850-V872 HydrophobicContact CD2-CB 4.48Å; L850-V872 HydrophobicContact CD2-CG1 3.99Å; L850-V872 HydrophobicContact CD2-CG2 3.76Å; L850-V872 HydrophobicContact CG-CG1 4.47Å; M853-V872 HydrophobicContact SD-CG2 3.41Å; M853-V872 WeakPolarHBondContact SD-CG2 3.26Å; E868-V872 WeakPolarHBondContact O-CG2 3.29Å; E868-V872 PolarHBondContact O-N 2.86Å; V872-N875 PolarHBondContact O-N 3.09Å; V872-L876 HydrophobicContact CG1-CD1 3.77Å; V872-L876 VanDerWaalsContact O-CG 3.29Å; V872-L876 WeakPolarHBondContact O-CG 3.46Å; V872-L876 PolarHBondContact O-N 3.11Å; V872-I888 HydrophobicContact CB-CG2 4.4Å; V872-I888 HydrophobicContact CG1-CD1 4.21Å; V872-I888 HydrophobicContact CG1-CG1 4.46Å; V872-I888 HydrophobicContact CG1-CG2 4.01Å
873	R	89.3	Confident	86.1	Confident	71 Å²	71	69.9 Å²	69.9	27%	0.268	38%	0.376	S	S	.	.	H	α-helix	trans	-55.1	-53.7	174.5	167.6	173.8	-91.8	-161.8	-15.5	111.9	I869 T871 N875 L876 E877 V883 D884 I888	I869-R873 WeakPolarHBondContact O-CB 3.47Å; I869-R873 PolarHBondContact O-N 2.94Å; T871-R873 VanDerWaalsContact C-N 3.34Å; T871-R873 PolarHBondContact O-N 3.17Å; R873-N875 VanDerWaalsContact C-N 3.3Å; R873-N875 PolarHBondContact O-N 2.94Å; R873-L876 PolarHBondContact O-N 3.43Å; R873-L876 VanDerWaalsContact O-N 3.1Å; R873-E877 VanDerWaalsContact CD-OE1 3.27Å; R873-E877 WeakPolarHBondContact CD-OE1 3.49Å; R873-E877 HydrophobicContact CG-CG 4.24Å; R873-E877 WeakPolarHBondContact CG-OE1 3.24Å; R873-E877 IonicContact NE-OE1 2.91Å; R873-E877 WeakPolarHBondContact O-CG 3.49Å; R873-E877 PolarHBondContact O-N 3.47Å; R873-V883 VanDerWaalsContact CZ-O 3.27Å; R873-V883 PolarHBondContact NE-O 2.86Å; R873-V883 PolarHBondContact NH2-O 3.18Å; R873-D884 IonicContact NH2-OD1 2.86Å; R873-I888 HydrophobicContact CB-CD1 3.94Å
874	K	86.8	Confident	86.2	Confident	131 Å²	131	67.1 Å²	67.1	57%	0.57	37%	0.372	S	S	*	.	H	α-helix	trans	-61.5	-36.4	-179.9	-75.9	170.2	-178.1	171.5	0	112.9	T870 T871 S878	T870-K874 WeakPolarHBondContact O-CB 3.43Å; T870-K874 VanDerWaalsContact O-CG 3.26Å; T870-K874 WeakPolarHBondContact O-CG 3.48Å; T870-K874 PolarHBondContact O-N 3.03Å; T871-K874 PolarHBondContact O-N 3.38Å; K874-S878 WeakPolarHBondContact O-CB 3.18Å; K874-S878 PolarHBondContact O-N 3.03Å
875	N	88.5	Confident	86.2	Confident	62 Å²	62	68.7 Å²	68.7	33%	0.332	38%	0.383	S	S	.	.	H	α-helix	trans	-65.9	-37.5	175.1	-74.4	10.8	0	0	0	112.1	E849 T871 V872 R873 S878	E849-N875 HydrophobicContact CG-CB 4.27Å; E849-N875 WeakPolarHBondContact OE1-CB 3.3Å; E849-N875 PolarHBondContact OE1-ND2 3.38Å; T871-N875 PolarHBondContact O-N 3.48Å; T871-N875 PolarHBondContact O-OD1 2.81Å; V872-N875 PolarHBondContact O-N 3.09Å; R873-N875 VanDerWaalsContact C-N 3.3Å; R873-N875 PolarHBondContact O-N 2.94Å; N875-S878 PolarHBondContact O-OG 2.85Å
876	L	88.8	Confident	86.2	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-72.3	-43.3	176	-66	164.9	0	0	0	111.5	E845 T846 E849 V872 R873 S878 R879 G880 V881 V883	E845-L876 HydrophobicContact CB-CD2 4Å; T846-L876 HydrophobicContact CG2-CD1 4.09Å; E849-L876 HydrophobicContact CB-CD2 4.47Å; V872-L876 HydrophobicContact CG1-CD1 3.77Å; V872-L876 VanDerWaalsContact O-CG 3.29Å; V872-L876 WeakPolarHBondContact O-CG 3.46Å; V872-L876 PolarHBondContact O-N 3.11Å; R873-L876 PolarHBondContact O-N 3.43Å; R873-L876 VanDerWaalsContact O-N 3.1Å; L876-S878 VanDerWaalsContact C-N 3.27Å; L876-S878 PolarHBondContact O-N 3.35Å; L876-R879 CarbonylContact O-C 3.5Å; L876-R879 WeakPolarHBondContact O-CA 3.37Å; L876-R879 PolarHBondContact O-N 3.13Å; L876-G880 PolarHBondContact O-N 3.49Å; L876-V881 CarbonylContact C-O 3.59Å; L876-V881 HydrophobicContact CB-CB 4.35Å; L876-V881 WeakPolarHBondContact CB-O 3.37Å; L876-V881 PolarHBondContact O-N 3.46Å; L876-V883 HydrophobicContact CB-CG2 4.25Å; L876-V883 HydrophobicContact CD1-CB 4.43Å; L876-V883 HydrophobicContact CD1-CG2 4Å
877	E	87.6	Confident	86.3	Confident	88 Å²	88	67.6 Å²	67.6	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-55.4	-42.7	172	-72.4	166.9	-178.5	0	0	111	R873 R879 G880 V881	R873-E877 VanDerWaalsContact CD-OE1 3.27Å; R873-E877 WeakPolarHBondContact CD-OE1 3.49Å; R873-E877 HydrophobicContact CG-CG 4.24Å; R873-E877 WeakPolarHBondContact CG-OE1 3.24Å; R873-E877 IonicContact NE-OE1 2.91Å; R873-E877 WeakPolarHBondContact O-CG 3.49Å; R873-E877 PolarHBondContact O-N 3.47Å; E877-R879 PolarHBondContact O-N 3.1Å; E877-R879 VanDerWaalsContact O-N 3.14Å; E877-G880 PolarHBondContact O-N 3.3Å; E877-V881 PolarHBondContact N-O 3.22Å
878	S	86.3	Confident	86.5	Confident	95 Å²	95	62.6 Å²	62.6	66%	0.664	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-19	176.4	82.8	0	0	0	0	114.5	K874 N875 L876	K874-S878 WeakPolarHBondContact O-CB 3.18Å; K874-S878 PolarHBondContact O-N 3.03Å; N875-S878 PolarHBondContact O-OG 2.85Å; L876-S878 VanDerWaalsContact C-N 3.27Å; L876-S878 PolarHBondContact O-N 3.35Å
879	R	83.6	Confident	86.5	Confident	114 Å²	114	65.7 Å²	65.7	43%	0.43	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	5.7	174.6	-62.6	-177.9	-165.6	140.7	18.4	113	E849 L876 E877	E849-R879 IonicContact OE1-CZ 2.95Å; E849-R879 IonicContact OE1-NH1 2.76Å; E849-R879 IonicContact OE1-NH2 3.6Å; E849-R879 PolarHBondContact OE1-NH2 3Å; E849-R879 IonicContact OE2-CZ 3.04Å; E849-R879 IonicContact OE2-NH1 3.18Å; E849-R879 PolarHBondContact OE2-NH1 3.02Å; E849-R879 IonicContact OE2-NH2 3.23Å; E849-R879 PolarHBondContact OE2-NH2 2.98Å; L876-R879 CarbonylContact O-C 3.5Å; L876-R879 WeakPolarHBondContact O-CA 3.37Å; L876-R879 PolarHBondContact O-N 3.13Å; E877-R879 PolarHBondContact O-N 3.1Å; E877-R879 VanDerWaalsContact O-N 3.14Å
880	G	81.2	Confident	86.4	Confident	71 Å²	71	69.4 Å²	69.4	73%	0.732	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	25	-177.9	0	0	0	0	0	114.2	L876 E877	L876-G880 PolarHBondContact O-N 3.49Å; E877-G880 PolarHBondContact O-N 3.3Å
881	V	84.3	Confident	86.6	Confident	27 Å²	27	66.4 Å²	66.4	16%	0.164	36%	0.357	C	S	.	.			trans	-117.4	101.6	178.8	-169.6	0	0	0	0	109.3	V842 L876 E877 V883	V842-V881 HydrophobicContact CB-CG1 4.35Å; V842-V881 HydrophobicContact CG1-CG1 3.99Å; V842-V881 HydrophobicContact CG2-CG1 4.05Å; L876-V881 CarbonylContact C-O 3.59Å; L876-V881 HydrophobicContact CB-CB 4.35Å; L876-V881 WeakPolarHBondContact CB-O 3.37Å; L876-V881 PolarHBondContact O-N 3.46Å; E877-V881 PolarHBondContact N-O 3.22Å; V881-V883 HydrophobicContact CG1-CG2 3.75Å
882	E	81.7	Confident	86.7	Confident	171 Å²	171	63.2 Å²	63.2	80%	0.799	34%	0.337	S	S	*	.			trans	-81.5	129.4	175.9	-170.8	171.2	-165.4	0	0	110.1
883	V	85.4	Confident	86.8	Confident	6 Å²	6	67.7 Å²	67.7	4%	0.036	36%	0.357	C	S	.	.			trans	-142.7	137.1	-169.2	-170.1	0	0	0	0	112.4	V842 R873 L876 V881 L887 I888	V842-V883 HydrophobicContact CG1-CG1 4.32Å; V842-V883 HydrophobicContact CG1-CG2 3.7Å; R873-V883 VanDerWaalsContact CZ-O 3.27Å; R873-V883 PolarHBondContact NE-O 2.86Å; R873-V883 PolarHBondContact NH2-O 3.18Å; L876-V883 HydrophobicContact CB-CG2 4.25Å; L876-V883 HydrophobicContact CD1-CB 4.43Å; L876-V883 HydrophobicContact CD1-CG2 4Å; V881-V883 HydrophobicContact CG1-CG2 3.75Å; V883-L887 HydrophobicContact CG1-CB 4.17Å; V883-L887 HydrophobicContact CG1-CD2 3.72Å; V883-I888 HydrophobicContact CG1-CD1 4.37Å; V883-I888 HydrophobicContact CG1-CG1 3.85Å
884	D	86.1	Confident	86.7	Confident	104 Å²	104	66.2 Å²	66.2	56%	0.556	35%	0.354	S	S	*	.			trans	-76.4	149.7	175.4	-82.5	-46	0	0	0	114.5	R873 S886 L887 I888	R873-D884 IonicContact NH2-OD1 2.86Å; D884-S886 PolarHBondContact O-N 3.14Å; D884-L887 PolarHBondContact O-N 3Å; D884-I888 PolarHBondContact O-N 2.88Å
885	P	86.4	Confident	86.9	Confident	52 Å²	52	60.1 Å²	60.1	34%	0.338	33%	0.327	S	S	.	.	H	α-helix	trans	-69.4	-23.8	-175.3	-15	31.7	0	0	0	112.9	I869 K889	I869-P885 HydrophobicContact CG2-CB 4.01Å; P885-K889 WeakPolarHBondContact O-CG 3.46Å; P885-K889 PolarHBondContact O-N 2.68Å
886	S	86.9	Confident	87	Confident	66 Å²	66	58.2 Å²	58.2	46%	0.462	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-53.7	169.9	40.8	0	0	0	0	110.9	D884 I888 K889 D890	D884-S886 PolarHBondContact O-N 3.14Å; S886-I888 PolarHBondContact O-N 2.96Å; S886-K889 CarbonylContact O-C 3.57Å; S886-K889 WeakPolarHBondContact O-CA 3.3Å; S886-K889 WeakPolarHBondContact O-CB 3.17Å; S886-K889 PolarHBondContact O-N 3.37Å; S886-D890 VanDerWaalsContact O-CG 3.24Å; S886-D890 PolarHBondContact O-N 2.91Å
887	L	87.3	Confident	87	Confident	45 Å²	45	59.6 Å²	59.6	24%	0.236	32%	0.321	C	S	.	.	H	α-helix	trans	-61.6	-30.9	-177.6	-165.4	142.5	0	0	0	112.5	V842 V883 D884 T891	V842-L887 HydrophobicContact CG1-CD2 4.16Å; V883-L887 HydrophobicContact CG1-CB 4.17Å; V883-L887 HydrophobicContact CG1-CD2 3.72Å; D884-L887 PolarHBondContact O-N 3Å; L887-T891 HydrophobicContact CD2-CG2 4.28Å; L887-T891 WeakPolarHBondContact O-CB 3.34Å; L887-T891 WeakPolarHBondContact O-CG2 3.36Å; L887-T891 PolarHBondContact O-N 3.36Å; L887-T891 PolarHBondContact O-OG1 2.92Å
888	I	88.3	Confident	87.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.7	-44	170.2	-61.9	172.8	0	0	0	111.2	T846 L850 L864 I869 V872 R873 V883 D884 S886 T891 W892	T846-I888 HydrophobicContact CG2-CG1 4.07Å; L850-I888 HydrophobicContact CD2-CG2 4.38Å; L864-I888 HydrophobicContact CD1-CG2 4.02Å; I869-I888 HydrophobicContact CG2-CD1 4.36Å; I869-I888 HydrophobicContact CG2-CG2 4.43Å; V872-I888 HydrophobicContact CB-CG2 4.4Å; V872-I888 HydrophobicContact CG1-CD1 4.21Å; V872-I888 HydrophobicContact CG1-CG1 4.46Å; V872-I888 HydrophobicContact CG1-CG2 4.01Å; R873-I888 HydrophobicContact CB-CD1 3.94Å; V883-I888 HydrophobicContact CG1-CD1 4.37Å; V883-I888 HydrophobicContact CG1-CG1 3.85Å; D884-I888 PolarHBondContact O-N 2.88Å; S886-I888 PolarHBondContact O-N 2.96Å; I888-T891 PolarHBondContact O-OG1 3.47Å; I888-T891 VanDerWaalsContact O-OG1 3.11Å; I888-W892 WeakPolarHBondContact O-CB 3.49Å; I888-W892 PolarHBondContact O-N 2.92Å
889	K	88.1	Confident	87.4	Confident	118 Å²	118	54.9 Å²	54.9	51%	0.513	29%	0.287	S	S	.	.	H	α-helix	trans	-66.8	-41.6	176	-70.7	177.1	179.6	-170.3	0	112.8	I869 P885 S886 W892 H893	I869-K889 HydrophobicContact CD1-CD 4.43Å; I869-K889 HydrophobicContact CD1-CG 4.15Å; P885-K889 WeakPolarHBondContact O-CG 3.46Å; P885-K889 PolarHBondContact O-N 2.68Å; S886-K889 CarbonylContact O-C 3.57Å; S886-K889 WeakPolarHBondContact O-CA 3.3Å; S886-K889 WeakPolarHBondContact O-CB 3.17Å; S886-K889 PolarHBondContact O-N 3.37Å; K889-W892 WeakPolarHBondContact O-CB 3.5Å; K889-W892 PolarHBondContact O-N 2.95Å; K889-H893 PolarHBondContact O-N 3.15Å
890	D	86.4	Confident	87.8	Confident	92 Å²	92	50.5 Å²	50.5	49%	0.492	27%	0.271	S	S	.	.	H	α-helix	trans	-68.5	-40.2	-177.8	-59	-32.8	0	0	0	111.4	S886	S886-D890 VanDerWaalsContact O-CG 3.24Å; S886-D890 PolarHBondContact O-N 2.91Å
891	T	89.5	Confident	88.2	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.031	24%	0.236	C	C	.	.	H	α-helix	trans	-69.2	-40.7	171.6	49.1	0	0	0	0	112.2	M821 H843 T846 L887 I888 H893 Q894 V895	M821-T891 HydrophobicContact CE-CG2 3.89Å; H843-T891 HydrophobicContact CB-CG2 4.43Å; H843-T891 WeakPolarHBondContact ND1-CG2 3.38Å; T846-T891 VanDerWaalsContact CG2-OG1 3.25Å; T846-T891 WeakPolarHBondContact CG2-OG1 3.35Å; L887-T891 HydrophobicContact CD2-CG2 4.28Å; L887-T891 WeakPolarHBondContact O-CB 3.34Å; L887-T891 WeakPolarHBondContact O-CG2 3.36Å; L887-T891 PolarHBondContact O-N 3.36Å; L887-T891 PolarHBondContact O-OG1 2.92Å; I888-T891 PolarHBondContact O-OG1 3.47Å; I888-T891 VanDerWaalsContact O-OG1 3.11Å; T891-H893 PolarHBondContact O-N 3.2Å; T891-Q894 PolarHBondContact O-N 3.07Å; T891-V895 WeakPolarHBondContact O-CB 3.41Å; T891-V895 VanDerWaalsContact O-CG2 3.28Å; T891-V895 WeakPolarHBondContact O-CG2 3.33Å; T891-V895 PolarHBondContact O-N 3.17Å
892	W	90.3	Very high	88.5	Confident	7 Å²	7	50 Å²	50	3%	0.027	25%	0.246	C	C	.	.	H	α-helix	trans	-56.6	-48.4	174.8	175.2	-102.5	0	0	0	112.1	L850 L854 H860 A862 L864 I888 K889 Q894 V895 Y896	L850-W892 HydrophobicContact CB-CE3 4.02Å; L850-W892 HydrophobicContact CB-CZ3 4.35Å; L850-W892 HydrophobicContact CD1-CB 3.97Å; L850-W892 HydrophobicContact CD1-CE3 4.26Å; L850-W892 HydrophobicContact CD2-CE3 3.81Å; L850-W892 HydrophobicContact CD2-CZ3 4.33Å; L850-W892 HydrophobicContact CG-CE3 4.23Å; L854-W892 HydrophobicContact CD1-CH2 4.17Å; L854-W892 HydrophobicContact CD1-CZ3 3.91Å; L854-W892 HydrophobicContact CD2-CH2 3.57Å; L854-W892 HydrophobicContact CD2-CZ2 4.32Å; L854-W892 HydrophobicContact CD2-CZ3 4.14Å; L854-W892 HydrophobicContact CG-CH2 3.75Å; L854-W892 HydrophobicContact CG-CZ3 3.79Å; H860-W892 AromaticContact CD2-CH2 3.84Å; H860-W892 AromaticContact CE1-CH2 3.7Å; H860-W892 AromaticContact CE1-CZ2 3.62Å; H860-W892 AromaticContact CG-CH2 3.79Å; H860-W892 AromaticContact CG-CZ2 3.96Å; H860-W892 AromaticContact ND1-CH2 3.68Å; H860-W892 AromaticContact ND1-CZ2 3.43Å; H860-W892 WeakPolarHBondContact ND1-CZ2 3.4Å; H860-W892 AromaticContact NE2-CH2 3.76Å; A862-W892 PolarHBondContact O-NE1 3.48Å; L864-W892 HydrophobicContact CD1-CB 3.69Å; L864-W892 HydrophobicContact CD1-CD2 3.79Å; L864-W892 HydrophobicContact CD1-CE3 4.16Å; L864-W892 HydrophobicContact CD1-CG 3.58Å; L864-W892 HydrophobicContact CD2-CD2 3.81Å; L864-W892 HydrophobicContact CD2-CE3 3.91Å; L864-W892 HydrophobicContact CD2-CG 4.4Å; L864-W892 HydrophobicContact CD2-CH2 3.98Å; L864-W892 HydrophobicContact CD2-CZ2 3.95Å; L864-W892 HydrophobicContact CD2-CZ3 3.98Å; L864-W892 HydrophobicContact CG-CB 4.31Å; L864-W892 HydrophobicContact CG-CD2 3.58Å; L864-W892 HydrophobicContact CG-CE3 4.13Å; L864-W892 HydrophobicContact CG-CG 3.65Å; L864-W892 HydrophobicContact CG-CZ2 4.3Å; I888-W892 WeakPolarHBondContact O-CB 3.49Å; I888-W892 PolarHBondContact O-N 2.92Å; K889-W892 WeakPolarHBondContact O-CB 3.5Å; K889-W892 PolarHBondContact O-N 2.95Å; W892-Q894 VanDerWaalsContact C-N 3.28Å; W892-Q894 PolarHBondContact O-N 2.67Å; W892-V895 PolarHBondContact O-N 3.47Å; W892-V895 VanDerWaalsContact O-N 3.17Å; W892-Y896 AromaticContact CE2-CD2 3.98Å; W892-Y896 HydrophobicContact CH2-CD2 4.22Å; W892-Y896 AromaticContact CZ2-CD2 3.55Å; W892-Y896 HydrophobicContact CZ2-CD2 3.55Å; W892-Y896 HydrophobicContact CZ2-CE2 4.3Å; W892-Y896 HydrophobicContact CZ2-CG 4.29Å; W892-Y896 WeakPolarHBondContact O-CB 3.32Å; W892-Y896 PolarHBondContact O-N 3.28Å
893	H	89.1	Confident	88.9	Confident	96 Å²	96	45.4 Å²	45.4	44%	0.444	23%	0.23	S	C	.	.	H	α-helix	trans	-52.3	-46.9	-179.3	-173.5	-79.7	0	0	0	111.9	K889 T891 R897	K889-H893 PolarHBondContact O-N 3.15Å; T891-H893 PolarHBondContact O-N 3.2Å; H893-R897 WeakPolarHBondContact O-CB 3.36Å; H893-R897 PolarHBondContact O-N 3.17Å
894	Q	88.8	Confident	89	Confident	41 Å²	41	45.4 Å²	45.4	19%	0.192	23%	0.231	C	C	.	.	H	α-helix	trans	-73.1	-42	179.6	-55.7	-55.1	-32.1	0	0	112.6	T814 I818 M821 T891 W892 R897 R898	T814-Q894 WeakPolarHBondContact CG2-O 3.23Å; I818-Q894 HydrophobicContact CD1-CB 4.34Å; I818-Q894 HydrophobicContact CG1-CB 3.83Å; M821-Q894 HydrophobicContact SD-CG 3.87Å; T891-Q894 PolarHBondContact O-N 3.07Å; W892-Q894 VanDerWaalsContact C-N 3.28Å; W892-Q894 PolarHBondContact O-N 2.67Å; Q894-R897 PolarHBondContact O-N 2.74Å; Q894-R898 PolarHBondContact O-N 3.23Å
895	V	90.5	Very high	89.3	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-65.2	-41.9	179.6	172.4	0	0	0	0	111.4	K847 E851 L854 T891 W892 H899	K847-V895 HydrophobicContact CB-CG2 4.26Å; K847-V895 HydrophobicContact CD-CG2 4.49Å; K847-V895 HydrophobicContact CG-CG2 3.91Å; E851-V895 HydrophobicContact CG-CG1 3.98Å; L854-V895 HydrophobicContact CD1-CG1 3.89Å; T891-V895 WeakPolarHBondContact O-CB 3.41Å; T891-V895 VanDerWaalsContact O-CG2 3.28Å; T891-V895 WeakPolarHBondContact O-CG2 3.33Å; T891-V895 PolarHBondContact O-N 3.17Å; W892-V895 PolarHBondContact O-N 3.47Å; W892-V895 VanDerWaalsContact O-N 3.17Å; V895-H899 PolarHBondContact O-N 2.98Å
896	Y	90.4	Very high	89.3	Confident	22 Å²	22	44.2 Å²	44.2	9%	0.086	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-49.7	173.3	-175.2	-92.2	0	0	0	111.5	L693 L854 H860 A862 W892 R898 H899 F900	L693-Y896 HydrophobicContact CD1-CE1 4.33Å; L854-Y896 HydrophobicContact CD2-CD2 4.07Å; L854-Y896 HydrophobicContact CD2-CE2 4.43Å; H860-Y896 HydrophobicContact CB-CE2 4.46Å; H860-Y896 WeakPolarHBondContact O-CE2 3.34Å; H860-Y896 PolarHBondContact O-OH 3Å; A862-Y896 VanDerWaalsContact CA-CZ 3.46Å; A862-Y896 HydrophobicContact CB-CD1 3.84Å; A862-Y896 HydrophobicContact CB-CE1 3.35Å; A862-Y896 HydrophobicContact CB-CE2 4.49Å; A862-Y896 PolarHBondContact N-OH 3.49Å; W892-Y896 AromaticContact CE2-CD2 3.98Å; W892-Y896 HydrophobicContact CH2-CD2 4.22Å; W892-Y896 AromaticContact CZ2-CD2 3.55Å; W892-Y896 HydrophobicContact CZ2-CD2 3.55Å; W892-Y896 HydrophobicContact CZ2-CE2 4.3Å; W892-Y896 HydrophobicContact CZ2-CG 4.29Å; W892-Y896 WeakPolarHBondContact O-CB 3.32Å; W892-Y896 PolarHBondContact O-N 3.28Å; Y896-R898 VanDerWaalsContact C-N 3.29Å; Y896-R898 PolarHBondContact O-N 3.16Å; Y896-H899 CarbonylContact O-C 3.59Å; Y896-H899 WeakPolarHBondContact O-CA 3.37Å; Y896-H899 WeakPolarHBondContact O-CB 3.35Å; Y896-H899 PolarHBondContact O-N 3.48Å; Y896-F900 HydrophobicContact CE1-CB 4.26Å; Y896-F900 WeakPolarHBondContact O-CB 2.74Å; Y896-F900 PolarHBondContact O-N 3.47Å
897	R	89.6	Confident	89.3	Confident	29 Å²	29	43.3 Å²	43.3	11%	0.109	21%	0.21	C	C	.	.	H	α-helix	trans	-56	-42.4	177.2	-173.7	177.1	-172.6	-126.6	6.9	111.8	E689 T814 H893 Q894 L901	E689-R897 IonicContact OE1-CZ 2.79Å; E689-R897 IonicContact OE1-NE 3.94Å; E689-R897 PolarHBondContact OE1-NE 3.2Å; E689-R897 IonicContact OE1-NH2 3.78Å; E689-R897 PolarHBondContact OE1-NH2 3.43Å; E689-R897 IonicContact OE2-CZ 2.71Å; E689-R897 IonicContact OE2-NE 2.71Å; E689-R897 PolarHBondContact OE2-NE 2.83Å; E689-R897 IonicContact OE2-NH2 3.3Å; T814-R897 HydrophobicContact CG2-CB 4.12Å; T814-R897 HydrophobicContact CG2-CG 4.13Å; T814-R897 PolarHBondContact OG1-NH1 3Å; H893-R897 WeakPolarHBondContact O-CB 3.36Å; H893-R897 PolarHBondContact O-N 3.17Å; Q894-R897 PolarHBondContact O-N 2.74Å; R897-L901 HydrophobicContact CG-CD1 4.06Å; R897-L901 WeakPolarHBondContact O-CB 3.47Å; R897-L901 WeakPolarHBondContact O-CD1 3.45Å; R897-L901 WeakPolarHBondContact O-CG 3.47Å; R897-L901 PolarHBondContact O-N 2.91Å
898	R	91.6	Very high	89.2	Confident	40 Å²	40	41.2 Å²	41.2	15%	0.151	20%	0.198	C	C	.	.	H	α-helix	trans	-67.3	-33.6	174.1	-169.8	-151.3	58.6	-173.6	-13.2	112.8	T814 E815 I818 E851 Q894 Y896 K902	T814-R898 HydrophobicContact CG2-CB 3.93Å; E815-R898 HydrophobicContact CG-CG 3.81Å; E815-R898 WeakPolarHBondContact OE1-CD 3.46Å; I818-R898 HydrophobicContact CD1-CB 3.73Å; I818-R898 HydrophobicContact CD1-CG 4.14Å; E851-R898 IonicContact OE1-CZ 2.96Å; E851-R898 VanDerWaalsContact OE1-CZ 3.23Å; E851-R898 IonicContact OE1-NH1 3.15Å; E851-R898 PolarHBondContact OE1-NH1 3Å; E851-R898 IonicContact OE1-NH2 2.68Å; E851-R898 PolarHBondContact OE1-NH2 3.45Å; Q894-R898 PolarHBondContact O-N 3.23Å; Y896-R898 VanDerWaalsContact C-N 3.29Å; Y896-R898 PolarHBondContact O-N 3.16Å; R898-K902 WeakPolarHBondContact O-CG 3.23Å; R898-K902 PolarHBondContact O-N 2.97Å
899	H	90.3	Very high	89.1	Confident	44 Å²	44	44.7 Å²	44.7	20%	0.204	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-56.9	173.8	-179.2	-104.2	0	0	0	110.7	L854 V895 Y896 L901 K902 T903	L854-H899 HydrophobicContact CD1-CB 4.01Å; V895-H899 PolarHBondContact O-N 2.98Å; Y896-H899 CarbonylContact O-C 3.59Å; Y896-H899 WeakPolarHBondContact O-CA 3.37Å; Y896-H899 WeakPolarHBondContact O-CB 3.35Å; Y896-H899 PolarHBondContact O-N 3.48Å; H899-L901 VanDerWaalsContact C-N 3.33Å; H899-L901 PolarHBondContact O-N 2.84Å; H899-K902 WeakPolarHBondContact O-CA 3.43Å; H899-K902 PolarHBondContact O-N 3.5Å; H899-T903 PolarHBondContact O-N 3.29Å; H899-T903 PolarHBondContact O-OG1 3.33Å
900	F	90.8	Very high	88.9	Confident	22 Å²	22	44 Å²	44	10%	0.096	22%	0.219	C	C	.	.	H	α-helix	trans	-48.6	-50	176.2	174.6	-98.9	0	0	0	112.6	Y692 L693 A696 Y896 K902 T903 A904	Y692-F900 AromaticContact CD1-CE1 3.89Å; Y692-F900 HydrophobicContact CD1-CE1 3.89Å; Y692-F900 AromaticContact CD1-CZ 3.91Å; Y692-F900 HydrophobicContact CD1-CZ 3.91Å; Y692-F900 AromaticContact CE1-CE1 3.65Å; Y692-F900 HydrophobicContact CE1-CE1 3.65Å; Y692-F900 AromaticContact CE1-CZ 3.53Å; Y692-F900 HydrophobicContact CE1-CZ 3.53Å; Y692-F900 AromaticContact CZ-CZ 3.96Å; L693-F900 HydrophobicContact CB-CE1 4.37Å; L693-F900 HydrophobicContact CD1-CB 4.49Å; L693-F900 HydrophobicContact CD1-CD1 3.62Å; L693-F900 HydrophobicContact CD1-CD2 4.01Å; L693-F900 HydrophobicContact CD1-CE1 3.76Å; L693-F900 HydrophobicContact CD1-CE2 4.14Å; L693-F900 HydrophobicContact CD1-CG 3.76Å; L693-F900 HydrophobicContact CD1-CZ 4.02Å; A696-F900 HydrophobicContact CB-CE2 3.55Å; A696-F900 HydrophobicContact CB-CZ 3.65Å; Y896-F900 HydrophobicContact CE1-CB 4.26Å; Y896-F900 WeakPolarHBondContact O-CB 2.74Å; Y896-F900 PolarHBondContact O-N 3.47Å; F900-K902 VanDerWaalsContact C-N 3.28Å; F900-K902 PolarHBondContact O-N 3.41Å; F900-T903 PolarHBondContact O-N 2.99Å; F900-A904 WeakPolarHBondContact O-CB 3.48Å; F900-A904 PolarHBondContact O-N 2.95Å
901	L	90.9	Very high	88.8	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-29.4	179.4	-68.5	169.5	0	0	0	113.1	I688 L807 R810 L811 R897 H899 L905	I688-L901 HydrophobicContact CG2-CD2 4.37Å; L807-L901 HydrophobicContact CD2-CD2 3.48Å; L807-L901 VanDerWaalsContact CD2-CD2 3.48Å; R810-L901 HydrophobicContact CB-CD1 4.14Å; R810-L901 HydrophobicContact CB-CD2 4.45Å; L811-L901 HydrophobicContact CB-CB 4.28Å; L811-L901 HydrophobicContact CB-CD1 4.38Å; L811-L901 HydrophobicContact CD1-CB 4.34Å; R897-L901 HydrophobicContact CG-CD1 4.06Å; R897-L901 WeakPolarHBondContact O-CB 3.47Å; R897-L901 WeakPolarHBondContact O-CD1 3.45Å; R897-L901 WeakPolarHBondContact O-CG 3.47Å; R897-L901 PolarHBondContact O-N 2.91Å; H899-L901 VanDerWaalsContact C-N 3.33Å; H899-L901 PolarHBondContact O-N 2.84Å; L901-L905 WeakPolarHBondContact O-CB 3Å; L901-L905 WeakPolarHBondContact O-CD1 3.48Å; L901-L905 VanDerWaalsContact O-CG 3.28Å; L901-L905 WeakPolarHBondContact O-CG 3.22Å; L901-L905 PolarHBondContact O-N 3.17Å; L901-L905 VanDerWaalsContact O-N 3.13Å
902	K	91	Very high	88.6	Confident	86 Å²	86	43.9 Å²	43.9	37%	0.374	21%	0.211	S	C	.	.	H	α-helix	trans	-75.7	-40.1	173.9	-73.7	-175.8	-178.6	-171.3	0	111.9	L811 E815 R898 H899 F900 L905 N906	L811-K902 HydrophobicContact CD1-CD 4.27Å; L811-K902 HydrophobicContact CD1-CG 3.44Å; L811-K902 VanDerWaalsContact CD1-CG 3.44Å; E815-K902 VanDerWaalsContact OE1-CE 3.24Å; E815-K902 WeakPolarHBondContact OE1-CE 3.35Å; E815-K902 IonicContact OE1-NZ 3.07Å; E815-K902 PolarHBondContact OE1-NZ 3.03Å; R898-K902 WeakPolarHBondContact O-CG 3.23Å; R898-K902 PolarHBondContact O-N 2.97Å; H899-K902 WeakPolarHBondContact O-CA 3.43Å; H899-K902 PolarHBondContact O-N 3.5Å; F900-K902 VanDerWaalsContact C-N 3.28Å; F900-K902 PolarHBondContact O-N 3.41Å; K902-L905 PolarHBondContact O-N 2.97Å; K902-N906 PolarHBondContact O-N 3.43Å
903	T	88.8	Confident	88.1	Confident	75 Å²	75	54 Å²	54	46%	0.46	25%	0.249	S	C	.	.	H	α-helix	trans	-62.9	-44.8	173.8	-51.1	0	0	0	0	111.1	H899 F900 L905 N906 H907	H899-T903 PolarHBondContact O-N 3.29Å; H899-T903 PolarHBondContact O-OG1 3.33Å; F900-T903 PolarHBondContact O-N 2.99Å; T903-L905 PolarHBondContact O-N 2.91Å; T903-N906 WeakPolarHBondContact O-CB 3.4Å; T903-N906 PolarHBondContact O-N 2.86Å; T903-H907 PolarHBondContact O-N 3.35Å
904	A	89	Confident	87.6	Confident	6 Å²	6	49.6 Å²	49.6	5%	0.05	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-41	175.6	0	0	0	0	0	112.8	Y692 L807 F900 H907 C908	Y692-A904 HydrophobicContact CE1-CB 4.26Å; Y692-A904 WeakPolarHBondContact OH-CB 3.43Å; L807-A904 HydrophobicContact CD1-CB 3.83Å; L807-A904 HydrophobicContact CD2-CB 4.34Å; F900-A904 WeakPolarHBondContact O-CB 3.48Å; F900-A904 PolarHBondContact O-N 2.95Å; A904-H907 WeakPolarHBondContact O-CB 3.28Å; A904-H907 PolarHBondContact O-N 2.84Å; A904-H907 VanDerWaalsContact O-N 3.17Å; A904-C908 PolarHBondContact O-N 2.99Å; A904-C908 PolarHBondContact O-SG 3.45Å
905	L	90.7	Very high	87.2	Confident	21 Å²	21	48.7 Å²	48.7	11%	0.11	23%	0.225	C	C	.	.	H	α-helix	trans	-67	-33.9	174.6	-77.1	169.3	0	0	0	113.3	E804 L807 Q808 L811 L901 K902 T903 H907 C908 N909	E804-L905 HydrophobicContact CB-CD2 4.47Å; E804-L905 HydrophobicContact CG-CD2 4.08Å; L807-L905 HydrophobicContact CB-CD1 4.43Å; L807-L905 HydrophobicContact CB-CD2 3.69Å; L807-L905 HydrophobicContact CB-CG 3.86Å; L807-L905 HydrophobicContact CD1-CD2 4.43Å; Q808-L905 HydrophobicContact CG-CD1 4Å; Q808-L905 HydrophobicContact CG-CD2 3.86Å; L811-L905 HydrophobicContact CD1-CD1 3.72Å; L901-L905 WeakPolarHBondContact O-CB 3Å; L901-L905 WeakPolarHBondContact O-CD1 3.48Å; L901-L905 VanDerWaalsContact O-CG 3.28Å; L901-L905 WeakPolarHBondContact O-CG 3.22Å; L901-L905 PolarHBondContact O-N 3.17Å; L901-L905 VanDerWaalsContact O-N 3.13Å; K902-L905 PolarHBondContact O-N 2.97Å; T903-L905 PolarHBondContact O-N 2.91Å; L905-H907 VanDerWaalsContact C-N 3.33Å; L905-C908 WeakPolarHBondContact O-CB 3.31Å; L905-C908 PolarHBondContact O-N 3.39Å; L905-N909 PolarHBondContact O-N 3.37Å; L905-N909 PolarHBondContact O-ND2 3.46Å
906	N	87.9	Confident	86.4	Confident	110 Å²	110	54.8 Å²	54.8	59%	0.588	25%	0.248	S	C	*	.	H	α-helix	trans	-64.6	-40.9	170	-69.3	-17.2	0	0	0	110.7	K902 T903 C908 N909 L910	K902-N906 PolarHBondContact O-N 3.43Å; T903-N906 WeakPolarHBondContact O-CB 3.4Å; T903-N906 PolarHBondContact O-N 2.86Å; N906-C908 PolarHBondContact O-N 3.22Å; N906-N909 WeakPolarHBondContact O-CB 3.35Å; N906-N909 PolarHBondContact O-N 3.1Å; N906-L910 PolarHBondContact O-N 3.42Å
907	H	85.3	Confident	85.7	Confident	47 Å²	47	59.1 Å²	59.1	22%	0.218	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-39.5	175.9	-162.9	39.7	0	0	0	113.1	T903 A904 L905 N909 L910 C911 E928 D931	T903-H907 PolarHBondContact O-N 3.35Å; A904-H907 WeakPolarHBondContact O-CB 3.28Å; A904-H907 PolarHBondContact O-N 2.84Å; A904-H907 VanDerWaalsContact O-N 3.17Å; L905-H907 VanDerWaalsContact C-N 3.33Å; H907-N909 PolarHBondContact O-N 2.97Å; H907-L910 PolarHBondContact O-N 3.04Å; H907-L910 VanDerWaalsContact O-N 3.08Å; H907-C911 PolarHBondContact O-N 3.45Å; H907-E928 PolarHBondContact CE1-O 3.39Å; H907-E928 PolarHBondContact NE2-O 2.82Å; H907-D931 IonicContact CD2-OD2 3.91Å
908	C	86.7	Confident	85	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-51.1	-44.2	171.8	-62.9	0	0	0	0	111.9	M803 A904 L905 N906 C911 R912	M803-C908 HydrophobicContact CE-CB 4.28Å; M803-C908 WeakPolarHBondContact CE-SG 3.37Å; A904-C908 PolarHBondContact O-N 2.99Å; A904-C908 PolarHBondContact O-SG 3.45Å; L905-C908 WeakPolarHBondContact O-CB 3.31Å; L905-C908 PolarHBondContact O-N 3.39Å; N906-C908 PolarHBondContact O-N 3.22Å; C908-C911 PolarHBondContact O-N 3.18Å; C908-R912 PolarHBondContact O-N 2.81Å; C908-R912 VanDerWaalsContact O-N 3.07Å
909	N	84.6	Confident	84.2	Confident	73 Å²	73	64.5 Å²	64.5	39%	0.39	29%	0.291	S	S	.	.	H	α-helix	trans	-69.6	-32.3	-178.3	-78	-82.6	0	0	0	112.6	L905 N906 H907 R912	L905-N909 PolarHBondContact O-N 3.37Å; L905-N909 PolarHBondContact O-ND2 3.46Å; N906-N909 WeakPolarHBondContact O-CB 3.35Å; N906-N909 PolarHBondContact O-N 3.1Å; H907-N909 PolarHBondContact O-N 2.97Å; N909-R912 PolarHBondContact OD1-NH1 3.49Å; N909-R912 PolarHBondContact OD1-NH2 2.87Å
910	L	84.2	Confident	83.3	Confident	104 Å²	104	69.4 Å²	69.4	55%	0.545	31%	0.308	S	S	.	.	H	α-helix	trans	-70.8	-49	172	-59.8	174.9	0	0	0	111	N906 H907 R912 R913 L927	N906-L910 PolarHBondContact O-N 3.42Å; H907-L910 PolarHBondContact O-N 3.04Å; H907-L910 VanDerWaalsContact O-N 3.08Å; L910-R912 PolarHBondContact O-N 2.84Å; L910-R912 VanDerWaalsContact O-N 3.14Å; L910-R913 PolarHBondContact O-N 3.09Å; L910-R913 VanDerWaalsContact O-N 3.1Å; L910-L927 HydrophobicContact CB-CD1 3.71Å
911	C	84.9	Confident	82	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-63.5	-18.4	179.5	-75	0	0	0	0	114.3	W796 I800 H907 C908 R913 G914 C929 V932	W796-C911 PolarHBondContact NE1-O 3.36Å; I800-C911 HydrophobicContact CD1-CB 4.05Å; I800-C911 VanDerWaalsContact CD1-O 3.29Å; I800-C911 WeakPolarHBondContact CD1-O 3.36Å; H907-C911 PolarHBondContact O-N 3.45Å; C908-C911 PolarHBondContact O-N 3.18Å; C911-R913 PolarHBondContact O-N 3.12Å; C911-R913 VanDerWaalsContact O-N 3.07Å; C911-G914 PolarHBondContact O-N 2.86Å; C911-C929 WeakPolarHBondContact CA-SG 3.42Å; C911-C929 HydrophobicContact CB-CB 3.96Å; C911-C929 WeakPolarHBondContact CB-SG 3.19Å; C911-C929 VanDerWaalsContact SG-CA 3.51Å; C911-C929 WeakPolarHBondContact SG-CB 3.31Å; C911-C929 CovalentContact SG-SG 2.04Å; C911-C929 PolarHBondContact SG-SG 3.01Å; C911-V932 HydrophobicContact CB-CG2 3.85Å
912	R	85.3	Confident	80.4	Confident	94 Å²	94	82.3 Å²	82.3	36%	0.355	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-15	172.2	-153	-177.9	-67.2	118.8	-7	113.3	I800 E804 C908 N909 L910	I800-R912 HydrophobicContact CD1-CB 4.33Å; I800-R912 HydrophobicContact CG2-CB 4.46Å; I800-R912 HydrophobicContact CG2-CG 4.37Å; E804-R912 IonicContact OE1-NH2 4Å; E804-R912 PolarHBondContact OE1-NH2 3.14Å; E804-R912 IonicContact OE2-CZ 3.14Å; E804-R912 IonicContact OE2-NH2 3.02Å; E804-R912 PolarHBondContact OE2-NH2 3.43Å; C908-R912 PolarHBondContact O-N 2.81Å; C908-R912 VanDerWaalsContact O-N 3.07Å; N909-R912 PolarHBondContact OD1-NH1 3.49Å; N909-R912 PolarHBondContact OD1-NH2 2.87Å; L910-R912 PolarHBondContact O-N 2.84Å; L910-R912 VanDerWaalsContact O-N 3.14Å
913	R	80.8	Confident	78.6	Confident	220 Å²	220	84.5 Å²	84.5	83%	0.83	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-2.3	171	-63.5	176.9	66.1	178.2	-1.6	113.8	L910 C911	L910-R913 PolarHBondContact O-N 3.09Å; L910-R913 VanDerWaalsContact O-N 3.1Å; C911-R913 PolarHBondContact O-N 3.12Å; C911-R913 VanDerWaalsContact O-N 3.07Å
914	G	77.6	Confident	76.6	Confident	3 Å²	3	87.9 Å²	87.9	3%	0.031	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-18	-168.7	0	0	0	0	0	116.9	C911 Y916 Y917 Y918	C911-G914 PolarHBondContact O-N 2.86Å; G914-Y916 PolarHBondContact O-N 2.62Å; G914-Y917 WeakPolarHBondContact O-CB 3.28Å; G914-Y917 PolarHBondContact O-N 2.95Å; G914-Y918 PolarHBondContact O-N 3.23Å
915	F	80.8	Confident	74.8	Confident	23 Å²	23	89.3 Å²	89.3	10%	0.101	41%	0.412	C	S	.	.	H	α-helix	trans	-51.1	-38.7	-172.1	-178.1	-105.3	0	0	0	114.6	I790 K793 W796 Y917 Y918 Q919	I790-F915 HydrophobicContact CG2-CE2 4.35Å; K793-F915 HydrophobicContact CB-CD1 3.82Å; K793-F915 HydrophobicContact CB-CE1 3.76Å; K793-F915 HydrophobicContact CB-CG 4.24Å; K793-F915 HydrophobicContact CB-CZ 4.12Å; K793-F915 HydrophobicContact CD-CD1 4.34Å; K793-F915 HydrophobicContact CG-CB 4.46Å; K793-F915 HydrophobicContact CG-CD1 3.93Å; K793-F915 HydrophobicContact CG-CE1 4.4Å; K793-F915 HydrophobicContact CG-CG 4.1Å; W796-F915 HydrophobicContact CB-CD2 3.52Å; W796-F915 HydrophobicContact CB-CE2 4.1Å; W796-F915 HydrophobicContact CB-CG 4.29Å; W796-F915 HydrophobicContact CD2-CB 4.13Å; W796-F915 AromaticContact CD2-CD2 3.81Å; W796-F915 HydrophobicContact CD2-CD2 3.81Å; W796-F915 HydrophobicContact CD2-CG 4.48Å; W796-F915 HydrophobicContact CE3-CD2 4.02Å; W796-F915 HydrophobicContact CG-CB 3.9Å; W796-F915 AromaticContact CG-CD2 3.6Å; W796-F915 HydrophobicContact CG-CD2 3.6Å; W796-F915 HydrophobicContact CG-CG 4.15Å; F915-Y917 VanDerWaalsContact C-N 3.31Å; F915-Y917 PolarHBondContact O-N 3.3Å; F915-Y918 PolarHBondContact O-N 3.28Å; F915-Q919 PolarHBondContact O-N 2.8Å
916	Y	73.4	Confident	73.3	Confident	130 Å²	130	98.4 Å²	98.4	51%	0.51	45%	0.453	S	S	.	.	H	α-helix	trans	-64.4	-32.4	179.2	-177.7	-93.7	0	0	0	113.5	G914 R920	G914-Y916 PolarHBondContact O-N 2.62Å; Y916-R920 WeakPolarHBondContact O-CG 3.47Å; Y916-R920 PolarHBondContact OH-NH1 3.27Å; Y916-R920 VanDerWaalsContact OH-NH1 3.17Å; Y916-R920 PolarHBondContact OH-NH2 3.08Å
917	Y	74.6	Confident	72.4	Confident	113 Å²	113	95.8 Å²	95.8	44%	0.443	44%	0.439	S	S	.	.	H	α-helix	trans	-77.1	-43	177.3	-62.7	-92.3	0	0	0	110.5	G914 F915 R920 H921	G914-Y917 WeakPolarHBondContact O-CB 3.28Å; G914-Y917 PolarHBondContact O-N 2.95Å; F915-Y917 VanDerWaalsContact C-N 3.31Å; F915-Y917 PolarHBondContact O-N 3.3Å; Y917-R920 PolarHBondContact O-N 3.09Å; Y917-H921 PolarHBondContact O-N 2.91Å
918	Y	76.1	Confident	71.8	Confident	64 Å²	64	98 Å²	98	25%	0.251	45%	0.449	S	S	.	.	H	α-helix	trans	-55.9	-51.2	174.1	173.5	-93.2	0	0	0	111.9	R788 I790 W796 G914 F915 R920 H921 V933	R788-Y918 PolarHBondContact O-OH 3.47Å; I790-Y918 HydrophobicContact CB-CE1 3.81Å; I790-Y918 PolarHBondContact N-OH 2.75Å; W796-Y918 HydrophobicContact CE3-CD1 4.19Å; W796-Y918 HydrophobicContact CE3-CG 4.18Å; W796-Y918 HydrophobicContact CH2-CD2 4.16Å; W796-Y918 HydrophobicContact CH2-CG 4.1Å; W796-Y918 AromaticContact CZ3-CD1 3.96Å; W796-Y918 HydrophobicContact CZ3-CD1 3.96Å; W796-Y918 AromaticContact CZ3-CD2 3.61Å; W796-Y918 HydrophobicContact CZ3-CD2 3.61Å; W796-Y918 HydrophobicContact CZ3-CE1 4.45Å; W796-Y918 HydrophobicContact CZ3-CE2 4.12Å; W796-Y918 AromaticContact CZ3-CG 3.51Å; W796-Y918 HydrophobicContact CZ3-CG 3.51Å; G914-Y918 PolarHBondContact O-N 3.23Å; F915-Y918 PolarHBondContact O-N 3.28Å; Y918-R920 PolarHBondContact O-N 2.96Å; Y918-R920 VanDerWaalsContact O-N 3.1Å; Y918-H921 PolarHBondContact O-N 3.49Å; Y918-V933 HydrophobicContact CD2-CG2 4.33Å; Y918-V933 HydrophobicContact CE2-CG2 3.67Å
919	Q	75.5	Confident	71.6	Confident	118 Å²	118	98.7 Å²	98.7	55%	0.551	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.3	-177.8	-162.8	-177.1	27.4	0	0	113.8	F915	F915-Q919 PolarHBondContact O-N 2.8Å
920	R	70.9	Confident	71.6	Confident	147 Å²	147	97 Å²	97	56%	0.555	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	0.8	-176.9	-72.2	-175.7	166.5	-142.3	-4.8	114.5	Y916 Y917 Y918 F922	Y916-R920 WeakPolarHBondContact O-CG 3.47Å; Y916-R920 PolarHBondContact OH-NH1 3.27Å; Y916-R920 VanDerWaalsContact OH-NH1 3.17Å; Y916-R920 PolarHBondContact OH-NH2 3.08Å; Y917-R920 PolarHBondContact O-N 3.09Å; Y918-R920 PolarHBondContact O-N 2.96Å; Y918-R920 VanDerWaalsContact O-N 3.1Å; R920-F922 HydrophobicContact CB-CD2 4.44Å; R920-F922 PolarHBondContact O-N 2.85Å; R920-F922 VanDerWaalsContact O-N 3.16Å
921	H	63.3	Low	71.8	Confident	164 Å²	164	92.8 Å²	92.8	76%	0.759	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	36.4	-176.2	-58.4	-58.6	0	0	0	113.7	Y917 Y918 V923	Y917-H921 PolarHBondContact O-N 2.91Å; Y918-H921 PolarHBondContact O-N 3.49Å; H921-V923 PolarHBondContact O-N 3.21Å
922	F	57.6	Low	72	Confident	130 Å²	130	92.8 Å²	92.8	57%	0.57	42%	0.423	S	S	*	.			trans	-76.7	109.3	-179.2	-124	-92	0	0	0	110.1	R920	R920-F922 HydrophobicContact CB-CD2 4.44Å; R920-F922 PolarHBondContact O-N 2.85Å; R920-F922 VanDerWaalsContact O-N 3.16Å
923	V	52.8	Low	72.1	Confident	132 Å²	132	88.7 Å²	88.7	80%	0.8	41%	0.409	S	S	*	.	S	Bend	trans	-77	-31.6	-174.8	-177.3	0	0	0	0	112	H921 S925	H921-V923 PolarHBondContact O-N 3.21Å; V923-S925 PolarHBondContact O-N 2.83Å
924	D	45.8	Very low	72.6	Confident	146 Å²	146	78.3 Å²	78.3	78%	0.781	37%	0.37	S	S	*	.	S	Bend	trans	-84.4	43.4	-174.5	-51.2	-51.1	0	0	0	113.1
925	S	53.1	Low	73.3	Confident	37 Å²	37	78.2 Å²	78.2	26%	0.259	37%	0.369	S	S	.	.			trans	-132.7	120.3	178.7	-68.6	0	0	0	0	110.6	V923 L927	V923-S925 PolarHBondContact O-N 2.83Å; S925-L927 PolarHBondContact O-N 3.23Å
926	E	58.3	Low	73.9	Confident	211 Å²	211	78.6 Å²	78.6	99%	0.986	37%	0.369	S	S	*	.	S	Bend	trans	-62.3	4	-174.2	-57.8	173.1	150.9	0	0	115
927	L	68.3	Low	74.8	Confident	55 Å²	55	72.8 Å²	72.8	29%	0.288	35%	0.347	S	S	.	.			trans	-103.3	79.4	-176.3	-173.2	71.8	0	0	0	111.3	L910 S925 C929	L910-L927 HydrophobicContact CB-CD1 3.71Å; S925-L927 PolarHBondContact O-N 3.23Å; L927-C929 PolarHBondContact O-N 3.37Å
928	E	72.5	Confident	75.7	Confident	93 Å²	93	67.4 Å²	67.4	44%	0.435	33%	0.325	S	S	.	.			trans	-77.1	99.6	177.2	-67.4	-156	151.2	0	0	112.7	S701 H907 N930	S701-E928 WeakPolarHBondContact CB-OE1 3.22Å; S701-E928 WeakPolarHBondContact CB-OE2 3.37Å; S701-E928 PolarHBondContact N-OE2 3.01Å; S701-E928 PolarHBondContact OG-OE1 2.96Å; H907-E928 PolarHBondContact CE1-O 3.39Å; H907-E928 PolarHBondContact NE2-O 2.82Å; E928-N930 PolarHBondContact O-N 2.82Å
929	C	82.9	Confident	76.5	Confident	16 Å²	16	66.1 Å²	66.1	11%	0.108	32%	0.322	C	S	.	.			trans	-96.1	36.7	179.7	-65.1	0	0	0	0	114.5	W796 C911 L927 D931 V932	W796-C929 HydrophobicContact CH2-CB 3.6Å; W796-C929 HydrophobicContact CZ2-CB 3.77Å; C911-C929 WeakPolarHBondContact CA-SG 3.42Å; C911-C929 HydrophobicContact CB-CB 3.96Å; C911-C929 WeakPolarHBondContact CB-SG 3.19Å; C911-C929 VanDerWaalsContact SG-CA 3.51Å; C911-C929 WeakPolarHBondContact SG-CB 3.31Å; C911-C929 CovalentContact SG-SG 2.04Å; C911-C929 PolarHBondContact SG-SG 3.01Å; L927-C929 PolarHBondContact O-N 3.37Å; C929-D931 PolarHBondContact O-N 3.27Å; C929-V932 HydrophobicContact CB-CG2 4.13Å; C929-V932 PolarHBondContact O-N 3.5Å
930	N	85.6	Confident	77.3	Confident	36 Å²	36	63.8 Å²	63.8	19%	0.193	31%	0.308	C	S	.	.	H	α-helix	trans	-60.8	-31.5	178.8	-67	-77.3	0	0	0	112.8	S701 F704 N705 E928 V932 V933 L934	S701-N930 VanDerWaalsContact CB-ND2 3.29Å; S701-N930 WeakPolarHBondContact CB-ND2 3.17Å; F704-N930 HydrophobicContact CD1-CB 3.69Å; F704-N930 HydrophobicContact CE1-CB 3.62Å; F704-N930 HydrophobicContact CZ-CB 4.42Å; N705-N930 PolarHBondContact ND2-OD1 2.88Å; E928-N930 PolarHBondContact O-N 2.82Å; N930-V932 VanDerWaalsContact C-N 3.3Å; N930-V932 PolarHBondContact O-N 3.18Å; N930-V933 WeakPolarHBondContact O-CB 3.27Å; N930-V933 PolarHBondContact O-N 3.33Å; N930-V933 VanDerWaalsContact O-N 3.08Å; N930-L934 PolarHBondContact O-N 3.11Å; N930-L934 VanDerWaalsContact O-N 3.15Å
931	D	87.4	Confident	78.4	Confident	16 Å²	16	56.8 Å²	56.8	9%	0.086	28%	0.281	C	S	.	.	H	α-helix	trans	-54.6	-43.7	175.6	-64.1	3.8	0	0	0	112.3	Y692 F704 M803 H907 C929 V933 L934 F935	Y692-D931 HydrophobicContact CE2-CB 4.14Å; Y692-D931 VanDerWaalsContact CE2-CG 3.46Å; Y692-D931 WeakPolarHBondContact CE2-OD2 3.44Å; Y692-D931 PolarHBondContact OH-OD2 2.81Å; F704-D931 VanDerWaalsContact CE2-OD1 3.31Å; F704-D931 WeakPolarHBondContact CE2-OD1 3.42Å; F704-D931 WeakPolarHBondContact CZ-OD1 3.41Å; M803-D931 HydrophobicContact CE-CB 4.08Å; M803-D931 HydrophobicContact SD-CB 3.69Å; H907-D931 IonicContact CD2-OD2 3.91Å; C929-D931 PolarHBondContact O-N 3.27Å; D931-V933 PolarHBondContact O-N 2.81Å; D931-L934 WeakPolarHBondContact O-CB 3.21Å; D931-L934 PolarHBondContact O-N 2.97Å; D931-L934 VanDerWaalsContact O-N 3.08Å; D931-F935 WeakPolarHBondContact O-CD2 3.44Å; D931-F935 PolarHBondContact O-N 3.06Å
932	V	88.8	Confident	79.9	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.5	-37	179.4	-174.9	0	0	0	0	110.9	I790 W796 A799 I800 M803 C911 C929 N930 F935 W936	I790-V932 HydrophobicContact CD1-CG1 4.45Å; W796-V932 HydrophobicContact CD2-CG1 3.91Å; W796-V932 HydrophobicContact CE3-CG1 3.91Å; W796-V932 HydrophobicContact CH2-CB 3.93Å; W796-V932 HydrophobicContact CH2-CG1 4.09Å; W796-V932 HydrophobicContact CH2-CG2 4.18Å; W796-V932 HydrophobicContact CZ2-CB 4.14Å; W796-V932 HydrophobicContact CZ2-CG1 4.12Å; W796-V932 HydrophobicContact CZ2-CG2 3.98Å; W796-V932 HydrophobicContact CZ3-CB 4.17Å; W796-V932 HydrophobicContact CZ3-CG1 3.99Å; A799-V932 HydrophobicContact CB-CG1 3.94Å; I800-V932 HydrophobicContact CD1-CG1 4.35Å; I800-V932 HydrophobicContact CD1-CG2 4.03Å; I800-V932 HydrophobicContact CG1-CB 4.39Å; I800-V932 HydrophobicContact CG1-CG1 3.72Å; I800-V932 HydrophobicContact CG1-CG2 3.72Å; M803-V932 HydrophobicContact CE-CG2 3.87Å; C911-V932 HydrophobicContact CB-CG2 3.85Å; C929-V932 HydrophobicContact CB-CG2 4.13Å; C929-V932 PolarHBondContact O-N 3.5Å; N930-V932 VanDerWaalsContact C-N 3.3Å; N930-V932 PolarHBondContact O-N 3.18Å; V932-F935 PolarHBondContact O-N 3.45Å; V932-W936 VanDerWaalsContact O-CB 3.27Å; V932-W936 WeakPolarHBondContact O-CB 3.23Å; V932-W936 PolarHBondContact O-N 2.98Å
933	V	88.8	Confident	81.6	Confident	9 Å²	9	44.4 Å²	44.4	6%	0.055	23%	0.231	C	C	.	.	H	α-helix	trans	-70	-37.4	177.9	-173.1	0	0	0	0	111.2	R788 I790 Y918 N930 D931 R937	R788-V933 HydrophobicContact CB-CG1 3.96Å; R788-V933 VanDerWaalsContact O-CG1 3.32Å; R788-V933 WeakPolarHBondContact O-CG1 3.49Å; I790-V933 HydrophobicContact CD1-CG2 4.26Å; Y918-V933 HydrophobicContact CD2-CG2 4.33Å; Y918-V933 HydrophobicContact CE2-CG2 3.67Å; N930-V933 WeakPolarHBondContact O-CB 3.27Å; N930-V933 PolarHBondContact O-N 3.33Å; N930-V933 VanDerWaalsContact O-N 3.08Å; D931-V933 PolarHBondContact O-N 2.81Å; V933-R937 WeakPolarHBondContact O-CB 3.21Å; V933-R937 VanDerWaalsContact O-CD 3.27Å; V933-R937 WeakPolarHBondContact O-CD 3.42Å; V933-R937 WeakPolarHBondContact O-CG 3.39Å; V933-R937 PolarHBondContact O-N 3.33Å
934	L	91	Very high	83.5	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-63.1	-50.2	172.3	169.2	58.6	0	0	0	111.6	I691 Y692 F704 V708 L712 N930 D931 W936 R937 I938	I691-L934 HydrophobicContact CG2-CD1 4.17Å; I691-L934 HydrophobicContact CG2-CD2 4.38Å; Y692-L934 HydrophobicContact CD2-CD2 3.91Å; F704-L934 HydrophobicContact CZ-CD2 4.28Å; V708-L934 HydrophobicContact CG1-CD1 3.73Å; V708-L934 HydrophobicContact CG2-CD2 4.02Å; L712-L934 HydrophobicContact CD1-CD1 4.13Å; N930-L934 PolarHBondContact O-N 3.11Å; N930-L934 VanDerWaalsContact O-N 3.15Å; D931-L934 WeakPolarHBondContact O-CB 3.21Å; D931-L934 PolarHBondContact O-N 2.97Å; D931-L934 VanDerWaalsContact O-N 3.08Å; L934-W936 VanDerWaalsContact C-N 3.34Å; L934-W936 PolarHBondContact O-N 2.87Å; L934-R937 PolarHBondContact O-N 2.71Å; L934-I938 HydrophobicContact CD1-CD1 3.63Å; L934-I938 HydrophobicContact CD1-CG1 4.2Å; L934-I938 HydrophobicContact CG-CD1 4.18Å; L934-I938 WeakPolarHBondContact O-CG1 3.49Å; L934-I938 PolarHBondContact O-N 3.04Å; L934-I938 VanDerWaalsContact O-N 3.09Å
935	F	92.6	Very high	85.8	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-67.8	-34.2	-179	-82.4	-96.4	0	0	0	112.2	I688 Y692 F802 M803 A806 D931 V932 I938 Q939	I688-F935 HydrophobicContact CD1-CE1 3.91Å; I688-F935 HydrophobicContact CD1-CZ 3.57Å; Y692-F935 HydrophobicContact CD1-CE2 4.19Å; Y692-F935 HydrophobicContact CD1-CZ 4.27Å; Y692-F935 HydrophobicContact CD2-CE2 4.13Å; Y692-F935 HydrophobicContact CE1-CE2 4.36Å; Y692-F935 HydrophobicContact CE2-CE2 4.31Å; Y692-F935 HydrophobicContact CG-CE2 4.07Å; Y692-F935 HydrophobicContact CG-CZ 4.42Å; F802-F935 HydrophobicContact CD1-CB 4.28Å; F802-F935 HydrophobicContact CD1-CD1 4.05Å; F802-F935 HydrophobicContact CE1-CD1 4.06Å; M803-F935 HydrophobicContact CB-CB 3.88Å; M803-F935 HydrophobicContact CB-CD1 3.84Å; M803-F935 HydrophobicContact CB-CD2 4.1Å; M803-F935 HydrophobicContact CB-CE1 4.38Å; M803-F935 HydrophobicContact CB-CG 3.67Å; M803-F935 HydrophobicContact CG-CB 4.24Å; M803-F935 HydrophobicContact CG-CD1 3.96Å; M803-F935 HydrophobicContact CG-CD2 3.52Å; M803-F935 HydrophobicContact CG-CE1 4.14Å; M803-F935 HydrophobicContact CG-CE2 3.71Å; M803-F935 HydrophobicContact CG-CG 3.63Å; M803-F935 HydrophobicContact CG-CZ 4.01Å; M803-F935 HydrophobicContact SD-CB 4.19Å; M803-F935 HydrophobicContact SD-CD2 3.35Å; M803-F935 WeakPolarHBondContact SD-CD2 3.46Å; M803-F935 HydrophobicContact SD-CE2 3.83Å; M803-F935 HydrophobicContact SD-CG 3.87Å; A806-F935 HydrophobicContact CB-CD1 4.47Å; A806-F935 HydrophobicContact CB-CE1 3.8Å; D931-F935 WeakPolarHBondContact O-CD2 3.44Å; D931-F935 PolarHBondContact O-N 3.06Å; V932-F935 PolarHBondContact O-N 3.45Å; F935-I938 PolarHBondContact O-N 2.94Å; F935-Q939 VanDerWaalsContact O-CB 3.31Å; F935-Q939 WeakPolarHBondContact O-CB 3.4Å; F935-Q939 PolarHBondContact O-N 2.99Å
936	W	92.1	Very high	87.8	Confident	31 Å²	31	32.2 Å²	32.2	12%	0.117	16%	0.158	C	C	.	.	H	α-helix	trans	-59	-51.2	169.2	172.1	-118.4	0	0	0	112.7	S789 I790 Q795 A799 V932 L934 I938 Q939 R940	S789-W936 PolarHBondContact O-NE1 3.4Å; I790-W936 HydrophobicContact CD1-CB 4.01Å; I790-W936 HydrophobicContact CD1-CG 4.01Å; I790-W936 HydrophobicContact CG1-CB 4.22Å; I790-W936 HydrophobicContact CG1-CD2 4.24Å; I790-W936 HydrophobicContact CG1-CG 3.67Å; Q795-W936 HydrophobicContact CB-CE3 4.24Å; Q795-W936 HydrophobicContact CB-CH2 3.64Å; Q795-W936 HydrophobicContact CB-CZ2 3.99Å; Q795-W936 HydrophobicContact CB-CZ3 3.77Å; Q795-W936 HydrophobicContact CG-CH2 3.48Å; Q795-W936 VanDerWaalsContact CG-CH2 3.48Å; Q795-W936 HydrophobicContact CG-CZ2 3.91Å; Q795-W936 HydrophobicContact CG-CZ3 4.04Å; A799-W936 HydrophobicContact CB-CB 3.76Å; A799-W936 HydrophobicContact CB-CE3 4.28Å; V932-W936 VanDerWaalsContact O-CB 3.27Å; V932-W936 WeakPolarHBondContact O-CB 3.23Å; V932-W936 PolarHBondContact O-N 2.98Å; L934-W936 VanDerWaalsContact C-N 3.34Å; L934-W936 PolarHBondContact O-N 2.87Å; W936-I938 PolarHBondContact O-N 2.94Å; W936-Q939 PolarHBondContact O-N 3.25Å; W936-R940 WeakPolarHBondContact O-CB 3.48Å; W936-R940 PolarHBondContact O-N 3.37Å
937	R	93.2	Very high	89.5	Confident	8 Å²	8	24.6 Å²	24.6	3%	0.03	13%	0.125	C	C	.	.	H	α-helix	trans	-53.8	-43.6	177.2	-74	161.4	75.4	-174.1	5.1	111.2	D709 L785 D787 V933 L934 M941	D709-R937 IonicContact OD1-CZ 2.98Å; D709-R937 IonicContact OD1-NH1 2.8Å; D709-R937 PolarHBondContact OD1-NH1 3.33Å; D709-R937 IonicContact OD1-NH2 3.04Å; D709-R937 PolarHBondContact OD1-NH2 3.5Å; L785-R937 HydrophobicContact CD2-CB 4.12Å; L785-R937 PolarHBondContact O-NE 3.46Å; L785-R937 PolarHBondContact O-NH2 3.13Å; D787-R937 VanDerWaalsContact O-CG 3.3Å; D787-R937 WeakPolarHBondContact O-CG 3.36Å; V933-R937 WeakPolarHBondContact O-CB 3.21Å; V933-R937 VanDerWaalsContact O-CD 3.27Å; V933-R937 WeakPolarHBondContact O-CD 3.42Å; V933-R937 WeakPolarHBondContact O-CG 3.39Å; V933-R937 PolarHBondContact O-N 3.33Å; L934-R937 PolarHBondContact O-N 2.71Å; R937-M941 VanDerWaalsContact O-CB 3.27Å; R937-M941 WeakPolarHBondContact O-CB 3.07Å; R937-M941 PolarHBondContact O-N 3.1Å
938	I	93.3	Very high	90.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-70.1	-46.9	179	-67.3	174	0	0	0	111.5	W680 V687 L712 L785 F802 L934 F935 W936 R940 M941 L942	W680-I938 HydrophobicContact CZ3-CG2 4.14Å; V687-I938 HydrophobicContact CB-CD1 4.37Å; V687-I938 HydrophobicContact CG1-CD1 3.52Å; V687-I938 HydrophobicContact CG2-CD1 3.94Å; V687-I938 HydrophobicContact CG2-CG2 4.35Å; L712-I938 HydrophobicContact CD2-CD1 4.47Å; L712-I938 HydrophobicContact CD2-CG1 4.45Å; L785-I938 HydrophobicContact CD2-CG1 4.29Å; F802-I938 HydrophobicContact CE1-CG2 4.26Å; F802-I938 HydrophobicContact CZ-CG2 4.48Å; L934-I938 HydrophobicContact CD1-CD1 3.63Å; L934-I938 HydrophobicContact CD1-CG1 4.2Å; L934-I938 HydrophobicContact CG-CD1 4.18Å; L934-I938 WeakPolarHBondContact O-CG1 3.49Å; L934-I938 PolarHBondContact O-N 3.04Å; L934-I938 VanDerWaalsContact O-N 3.09Å; F935-I938 PolarHBondContact O-N 2.94Å; W936-I938 PolarHBondContact O-N 2.94Å; I938-R940 VanDerWaalsContact C-N 3.33Å; I938-R940 PolarHBondContact O-N 3.43Å; I938-M941 HydrophobicContact CG2-CE 4.48Å; I938-M941 PolarHBondContact O-N 2.94Å; I938-L942 HydrophobicContact CG2-CD1 3.96Å; I938-L942 HydrophobicContact CG2-CG 4.4Å; I938-L942 VanDerWaalsContact O-CG 3.26Å; I938-L942 WeakPolarHBondContact O-CG 3.35Å; I938-L942 PolarHBondContact O-N 3.31Å
939	Q	93	Very high	91.7	Very high	38 Å²	38	18.6 Å²	18.6	18%	0.178	10%	0.096	C	C	.	.	H	α-helix	trans	-56.9	-46	177.3	-169.7	-180	23.2	0	0	111.7	A798 F802 F935 W936 L942 A943	A798-Q939 PolarHBondContact O-NE2 3.01Å; F802-Q939 HydrophobicContact CB-CG 4.47Å; F802-Q939 HydrophobicContact CD1-CB 3.71Å; F802-Q939 HydrophobicContact CD1-CG 4.08Å; F802-Q939 HydrophobicContact CE1-CB 3.88Å; F802-Q939 HydrophobicContact CE1-CG 4.48Å; F802-Q939 HydrophobicContact CG-CB 4.28Å; F802-Q939 HydrophobicContact CG-CG 4.13Å; F935-Q939 VanDerWaalsContact O-CB 3.31Å; F935-Q939 WeakPolarHBondContact O-CB 3.4Å; F935-Q939 PolarHBondContact O-N 2.99Å; W936-Q939 PolarHBondContact O-N 3.25Å; Q939-L942 PolarHBondContact O-N 3.36Å; Q939-A943 PolarHBondContact O-N 3.2Å; Q939-A943 VanDerWaalsContact O-N 3.1Å
940	R	92.3	Very high	92.2	Very high	68 Å²	68	19.9 Å²	19.9	26%	0.257	10%	0.099	S	C	.	.	H	α-helix	trans	-65.4	-42.8	176.4	174.6	172.1	164.6	-175.6	-10.4	112.3	D787 W936 I938 L942 A943 I944	D787-R940 VanDerWaalsContact CG-NH1 3.3Å; D787-R940 IonicContact OD2-CZ 2.67Å; D787-R940 IonicContact OD2-NH1 3.84Å; D787-R940 PolarHBondContact OD2-NH1 2.88Å; D787-R940 IonicContact OD2-NH2 3.89Å; D787-R940 PolarHBondContact OD2-NH2 3.49Å; W936-R940 WeakPolarHBondContact O-CB 3.48Å; W936-R940 PolarHBondContact O-N 3.37Å; I938-R940 VanDerWaalsContact C-N 3.33Å; I938-R940 PolarHBondContact O-N 3.43Å; R940-L942 VanDerWaalsContact C-N 3.34Å; R940-L942 PolarHBondContact O-N 2.96Å; R940-A943 PolarHBondContact O-N 3.19Å; R940-I944 HydrophobicContact CG-CD1 3.71Å; R940-I944 HydrophobicContact CG-CG1 4.46Å; R940-I944 WeakPolarHBondContact O-CB 3.41Å; R940-I944 VanDerWaalsContact O-CG1 3.3Å; R940-I944 WeakPolarHBondContact O-CG1 3.43Å; R940-I944 PolarHBondContact O-N 3.07Å
941	M	94.1	Very high	92.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.8	-42.5	174.7	175.6	-76.3	-64.9	0	0	111.8	W715 L720 Q781 A784 L785 R937 I938 T945	W715-M941 HydrophobicContact CH2-CE 3.62Å; W715-M941 HydrophobicContact CZ3-CE 3.96Å; L720-M941 HydrophobicContact CD1-CE 4.19Å; L720-M941 HydrophobicContact CD1-SD 4.15Å; L720-M941 HydrophobicContact CD2-CE 3.93Å; L720-M941 HydrophobicContact CD2-CG 4.3Å; L720-M941 HydrophobicContact CD2-SD 3.71Å; L720-M941 HydrophobicContact CG-SD 4.48Å; Q781-M941 HydrophobicContact CB-CG 4.37Å; Q781-M941 HydrophobicContact CG-CG 4.25Å; Q781-M941 HydrophobicContact CG-SD 4.31Å; A784-M941 HydrophobicContact CB-CB 4.16Å; A784-M941 HydrophobicContact CB-CG 4.47Å; L785-M941 HydrophobicContact CD1-CG 3.97Å; L785-M941 HydrophobicContact CD2-CB 3.75Å; L785-M941 HydrophobicContact CD2-CG 4.1Å; L785-M941 HydrophobicContact CG-CB 3.86Å; L785-M941 HydrophobicContact CG-CG 3.79Å; R937-M941 VanDerWaalsContact O-CB 3.27Å; R937-M941 WeakPolarHBondContact O-CB 3.07Å; R937-M941 PolarHBondContact O-N 3.1Å; I938-M941 HydrophobicContact CG2-CE 4.48Å; I938-M941 PolarHBondContact O-N 2.94Å; M941-T945 WeakPolarHBondContact O-CB 3.42Å; M941-T945 PolarHBondContact O-N 3.38Å; M941-T945 PolarHBondContact O-OG1 3.08Å; M941-T945 PolarHBondContact SD-OG1 3.45Å
942	L	94.1	Very high	92.7	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-47.2	178	-68.8	165.2	0	0	0	111.2	L679 W680 F802 I938 Q939 R940 T945 A946	L679-L942 HydrophobicContact CB-CD2 4.37Å; L679-L942 HydrophobicContact CD2-CD2 3.63Å; L679-L942 HydrophobicContact CG-CD2 3.66Å; W680-L942 HydrophobicContact CB-CD1 4.34Å; W680-L942 HydrophobicContact CD2-CD1 4.24Å; W680-L942 HydrophobicContact CE3-CD1 3.65Å; W680-L942 HydrophobicContact CZ3-CD1 4.35Å; F802-L942 HydrophobicContact CE2-CD1 4.49Å; F802-L942 HydrophobicContact CZ-CD1 3.83Å; I938-L942 HydrophobicContact CG2-CD1 3.96Å; I938-L942 HydrophobicContact CG2-CG 4.4Å; I938-L942 VanDerWaalsContact O-CG 3.26Å; I938-L942 WeakPolarHBondContact O-CG 3.35Å; I938-L942 PolarHBondContact O-N 3.31Å; Q939-L942 PolarHBondContact O-N 3.36Å; R940-L942 VanDerWaalsContact C-N 3.34Å; R940-L942 PolarHBondContact O-N 2.96Å; L942-T945 PolarHBondContact O-N 3.39Å; L942-A946 WeakPolarHBondContact O-CB 3.34Å; L942-A946 PolarHBondContact O-N 2.93Å
943	A	93.1	Very high	92.7	Very high	33 Å²	33	23.3 Å²	23.3	27%	0.273	11%	0.113	S	C	.	.	H	α-helix	trans	-63.6	-45.4	178.1	0	0	0	0	0	112.7	Q939 R940 T945 A946 N947	Q939-A943 PolarHBondContact O-N 3.2Å; Q939-A943 VanDerWaalsContact O-N 3.1Å; R940-A943 PolarHBondContact O-N 3.19Å; A943-T945 VanDerWaalsContact C-N 3.33Å; A943-T945 PolarHBondContact O-N 3.08Å; A943-A946 PolarHBondContact O-N 2.87Å; A943-N947 WeakPolarHBondContact O-CB 3.27Å; A943-N947 PolarHBondContact O-N 3.41Å
944	I	93.3	Very high	92.7	Very high	59 Å²	59	25 Å²	25	30%	0.303	12%	0.124	S	C	.	.	H	α-helix	trans	-63.7	-40.5	176.5	-67.6	170.5	0	0	0	110.8	I780 A784 R940 T948	I780-I944 HydrophobicContact CG2-CG2 3.46Å; I780-I944 VanDerWaalsContact CG2-CG2 3.46Å; A784-I944 HydrophobicContact CB-CD1 3.89Å; R940-I944 HydrophobicContact CG-CD1 3.71Å; R940-I944 HydrophobicContact CG-CG1 4.46Å; R940-I944 WeakPolarHBondContact O-CB 3.41Å; R940-I944 VanDerWaalsContact O-CG1 3.3Å; R940-I944 WeakPolarHBondContact O-CG1 3.43Å; R940-I944 PolarHBondContact O-N 3.07Å; I944-T948 WeakPolarHBondContact O-CB 3.37Å; I944-T948 PolarHBondContact O-N 3.14Å; I944-T948 PolarHBondContact O-OG1 3.44Å
945	T	94.2	Very high	92.5	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-48.1	175.7	-61.8	0	0	0	0	111.1	L679 A724 L777 Q781 M941 L942 A943 N947 T948 L949	L679-T945 HydrophobicContact CD2-CG2 3.59Å; A724-T945 HydrophobicContact CB-CG2 3.94Å; L777-T945 HydrophobicContact CD2-CG2 4.4Å; Q781-T945 WeakPolarHBondContact CG-OG1 3.23Å; Q781-T945 VanDerWaalsContact NE2-CG2 3.3Å; Q781-T945 PolarHBondContact NE2-OG1 3.32Å; M941-T945 WeakPolarHBondContact O-CB 3.42Å; M941-T945 PolarHBondContact O-N 3.38Å; M941-T945 PolarHBondContact O-OG1 3.08Å; M941-T945 PolarHBondContact SD-OG1 3.45Å; L942-T945 PolarHBondContact O-N 3.39Å; A943-T945 VanDerWaalsContact C-N 3.33Å; A943-T945 PolarHBondContact O-N 3.08Å; T945-N947 PolarHBondContact O-N 3.01Å; T945-T948 PolarHBondContact O-N 2.89Å; T945-L949 HydrophobicContact CG2-CD1 3.78Å; T945-L949 HydrophobicContact CG2-CG 4.17Å; T945-L949 WeakPolarHBondContact O-CB 3.49Å; T945-L949 VanDerWaalsContact O-CG 3.31Å; T945-L949 WeakPolarHBondContact O-CG 3.16Å; T945-L949 PolarHBondContact O-N 2.99Å
946	A	95	Very high	92.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-44.4	178.5	0	0	0	0	0	111.8	E672 L675 Q676 L942 A943 L949 R950	E672-A946 HydrophobicContact CG-CB 4.25Å; L675-A946 HydrophobicContact CB-CB 4.04Å; Q676-A946 HydrophobicContact CB-CB 4.01Å; L942-A946 WeakPolarHBondContact O-CB 3.34Å; L942-A946 PolarHBondContact O-N 2.93Å; A943-A946 PolarHBondContact O-N 2.87Å; A946-L949 PolarHBondContact O-N 3.45Å; A946-R950 WeakPolarHBondContact O-CB 3.25Å; A946-R950 PolarHBondContact O-N 2.89Å
947	N	93.9	Very high	92.2	Very high	51 Å²	51	31 Å²	31	27%	0.273	16%	0.161	S	C	.	.	H	α-helix	trans	-65	-39.2	176.2	-168.1	-16.6	0	0	0	112.3	A943 T945 R950 Q951	A943-N947 WeakPolarHBondContact O-CB 3.27Å; A943-N947 PolarHBondContact O-N 3.41Å; T945-N947 PolarHBondContact O-N 3.01Å; N947-R950 PolarHBondContact OD1-NH2 2.86Å; N947-Q951 VanDerWaalsContact O-CG 3.28Å; N947-Q951 WeakPolarHBondContact O-CG 3.45Å; N947-Q951 PolarHBondContact O-N 3.43Å; N947-Q951 PolarHBondContact O-NE2 2.04Å; N947-Q951 PolarHBondContact OD1-NE2 3.21Å
948	T	92.9	Very high	92	Very high	21 Å²	21	31 Å²	31	13%	0.129	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-47.3	175.2	-56.7	0	0	0	0	111.8	L777 I780 I944 T945 Q951 Q952	L777-T948 HydrophobicContact CD2-CG2 3.77Å; I780-T948 HydrophobicContact CD1-CG2 3.73Å; I944-T948 WeakPolarHBondContact O-CB 3.37Å; I944-T948 PolarHBondContact O-N 3.14Å; I944-T948 PolarHBondContact O-OG1 3.44Å; T945-T948 PolarHBondContact O-N 2.89Å; T948-Q951 WeakPolarHBondContact O-CB 3.4Å; T948-Q951 PolarHBondContact O-N 2.77Å; T948-Q952 WeakPolarHBondContact O-CG 3.39Å; T948-Q952 PolarHBondContact O-N 2.9Å
949	L	93.8	Very high	91.7	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-60.2	-45.7	176.3	-75	173.7	0	0	0	111.2	L675 A724 A728 L777 T945 A946 Q951 Q952 L953	L675-L949 HydrophobicContact CD1-CB 3.95Å; L675-L949 HydrophobicContact CD2-CD1 4.45Å; A724-L949 HydrophobicContact CB-CD1 4.24Å; A728-L949 HydrophobicContact CB-CD1 4.11Å; A728-L949 HydrophobicContact CB-CD2 3.74Å; A728-L949 HydrophobicContact CB-CG 4.34Å; L777-L949 HydrophobicContact CD1-CD2 3.65Å; L777-L949 HydrophobicContact CD2-CD2 4.08Å; L777-L949 HydrophobicContact CD2-CG 4.21Å; L777-L949 HydrophobicContact CG-CD2 4.48Å; T945-L949 HydrophobicContact CG2-CD1 3.78Å; T945-L949 HydrophobicContact CG2-CG 4.17Å; T945-L949 WeakPolarHBondContact O-CB 3.49Å; T945-L949 VanDerWaalsContact O-CG 3.31Å; T945-L949 WeakPolarHBondContact O-CG 3.16Å; T945-L949 PolarHBondContact O-N 2.99Å; A946-L949 PolarHBondContact O-N 3.45Å; L949-Q951 VanDerWaalsContact C-N 3.3Å; L949-Q951 PolarHBondContact O-N 3.44Å; L949-Q952 PolarHBondContact O-N 3.47Å; L949-Q952 VanDerWaalsContact O-N 3.15Å; L949-L953 VanDerWaalsContact O-CB 3.24Å; L949-L953 WeakPolarHBondContact O-CB 3.48Å; L949-L953 PolarHBondContact O-N 3.5Å
950	R	93.7	Very high	91.6	Very high	43 Å²	43	40.7 Å²	40.7	16%	0.162	20%	0.196	C	C	.	.	H	α-helix	trans	-54.4	-45.2	173.2	-179.3	-166.8	64.9	63.8	0.9	111.5	P668 W671 E672 L675 A946 N947 L953 T954	P668-R950 WeakPolarHBondContact O-CD 3.47Å; W671-R950 HydrophobicContact CB-CB 4.49Å; W671-R950 HydrophobicContact CB-CG 3.85Å; E672-R950 IonicContact OE2-CZ 3.36Å; E672-R950 IonicContact OE2-NE 2.72Å; E672-R950 PolarHBondContact OE2-NE 3.38Å; L675-R950 HydrophobicContact CD1-CB 4.12Å; A946-R950 WeakPolarHBondContact O-CB 3.25Å; A946-R950 PolarHBondContact O-N 2.89Å; N947-R950 PolarHBondContact OD1-NH2 2.86Å; R950-L953 PolarHBondContact O-N 3.4Å; R950-T954 WeakPolarHBondContact O-CB 3.26Å; R950-T954 PolarHBondContact O-N 3.24Å; R950-T954 PolarHBondContact O-OG1 3.3Å
951	Q	91.8	Very high	91.5	Very high	89 Å²	89	37.5 Å²	37.5	42%	0.416	19%	0.185	S	C	.	.	H	α-helix	trans	-64.1	-41.2	177.5	-72	172.9	48.6	0	0	112.4	N947 T948 L949 N955	N947-Q951 VanDerWaalsContact O-CG 3.28Å; N947-Q951 WeakPolarHBondContact O-CG 3.45Å; N947-Q951 PolarHBondContact O-N 3.43Å; N947-Q951 PolarHBondContact O-NE2 2.04Å; N947-Q951 PolarHBondContact OD1-NE2 3.21Å; T948-Q951 WeakPolarHBondContact O-CB 3.4Å; T948-Q951 PolarHBondContact O-N 2.77Å; L949-Q951 VanDerWaalsContact C-N 3.3Å; L949-Q951 PolarHBondContact O-N 3.44Å; Q951-N955 WeakPolarHBondContact O-CB 3.3Å; Q951-N955 PolarHBondContact O-N 3.15Å; Q951-N955 VanDerWaalsContact O-N 3.14Å; Q951-N955 PolarHBondContact O-ND2 3.04Å
952	Q	90.9	Very high	91.4	Very high	34 Å²	34	39.7 Å²	39.7	16%	0.159	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-44.9	175	-67.3	176.7	0.2	0	0	111.5	T948 L949 T956 E957	T948-Q952 WeakPolarHBondContact O-CG 3.39Å; T948-Q952 PolarHBondContact O-N 2.9Å; L949-Q952 PolarHBondContact O-N 3.47Å; L949-Q952 VanDerWaalsContact O-N 3.15Å; Q952-T956 WeakPolarHBondContact O-CA 3.39Å; Q952-T956 VanDerWaalsContact O-CB 3.29Å; Q952-T956 WeakPolarHBondContact O-CB 3.45Å; Q952-T956 PolarHBondContact O-N 2.87Å; Q952-E957 PolarHBondContact O-N 3.08Å
953	L	90.6	Very high	91.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-63.2	-54.7	-179.4	-175.7	153.3	0	0	0	111.4	W671 L732 W769 L949 R950 E957 V958	W671-L953 HydrophobicContact CD2-CD1 4.38Å; W671-L953 HydrophobicContact CD2-CD2 3.68Å; W671-L953 HydrophobicContact CE3-CD1 3.82Å; W671-L953 HydrophobicContact CE3-CD2 3.95Å; W671-L953 HydrophobicContact CG-CD2 4.27Å; W671-L953 HydrophobicContact CH2-CD1 4.24Å; W671-L953 HydrophobicContact CH2-CD2 4.01Å; W671-L953 HydrophobicContact CZ2-CD2 3.72Å; W671-L953 HydrophobicContact CZ3-CD1 3.75Å; W671-L953 HydrophobicContact CZ3-CD2 4.11Å; L732-L953 HydrophobicContact CB-CD1 4.1Å; L732-L953 HydrophobicContact CD1-CD1 4.37Å; L732-L953 HydrophobicContact CD1-CG 4.37Å; W769-L953 HydrophobicContact CH2-CB 4.36Å; W769-L953 HydrophobicContact CH2-CD1 4.47Å; L949-L953 VanDerWaalsContact O-CB 3.24Å; L949-L953 WeakPolarHBondContact O-CB 3.48Å; L949-L953 PolarHBondContact O-N 3.5Å; R950-L953 PolarHBondContact O-N 3.4Å; L953-E957 PolarHBondContact O-N 3.35Å; L953-V958 HydrophobicContact CD2-CG2 3.54Å; L953-V958 HydrophobicContact CG-CG2 4.15Å; L953-V958 WeakPolarHBondContact O-CB 3.26Å; L953-V958 WeakPolarHBondContact O-CG2 3.46Å; L953-V958 PolarHBondContact O-N 3.31Å
954	T	87.6	Confident	91.2	Very high	45 Å²	45	44.5 Å²	44.5	28%	0.276	21%	0.21	S	C	.	.	I	π-helix	trans	-67.6	-40.1	-177.6	-50.2	0	0	0	0	112.7	R950	R950-T954 WeakPolarHBondContact O-CB 3.26Å; R950-T954 PolarHBondContact O-N 3.24Å; R950-T954 PolarHBondContact O-OG1 3.3Å
955	N	87.3	Confident	91.2	Very high	86 Å²	86	41.7 Å²	41.7	46%	0.46	20%	0.196	S	C	.	.	I	π-helix	trans	-83.5	-29.4	-174.6	-66.4	-39.9	0	0	0	113.7	Q951 R959	Q951-N955 WeakPolarHBondContact O-CB 3.3Å; Q951-N955 PolarHBondContact O-N 3.15Å; Q951-N955 VanDerWaalsContact O-N 3.14Å; Q951-N955 PolarHBondContact O-ND2 3.04Å; N955-R959 WeakPolarHBondContact O-CD 3.19Å; N955-R959 PolarHBondContact O-NH1 2.78Å
956	T	88.1	Confident	91.1	Very high	71 Å²	71	45.5 Å²	45.5	44%	0.436	21%	0.213	S	C	.	.	I	π-helix	trans	-124.1	-62.9	-169.9	-53.8	0	0	0	0	112.1	Q952 V958 R959 R960	Q952-T956 WeakPolarHBondContact O-CA 3.39Å; Q952-T956 VanDerWaalsContact O-CB 3.29Å; Q952-T956 WeakPolarHBondContact O-CB 3.45Å; Q952-T956 PolarHBondContact O-N 2.87Å; T956-V958 PolarHBondContact O-N 2.91Å; T956-R959 PolarHBondContact O-N 2.73Å; T956-R960 PolarHBondContact O-N 2.78Å
957	E	89.5	Confident	91.1	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.014	23%	0.23	C	C	.	.	I	π-helix	trans	-76.2	-30.1	-163.4	-56.4	-64.3	-179.7	0	0	113.8	L732 H767 W769 N770 Q952 L953 R960 L961	L732-E957 HydrophobicContact CD2-CB 4.29Å; H767-E957 IonicContact CE1-OE2 3.77Å; H767-E957 IonicContact NE2-OE2 3.45Å; W769-E957 HydrophobicContact CD2-CG 3.94Å; W769-E957 HydrophobicContact CE3-CB 4.33Å; W769-E957 HydrophobicContact CE3-CG 3.97Å; W769-E957 HydrophobicContact CH2-CB 4.33Å; W769-E957 HydrophobicContact CH2-CG 4.08Å; W769-E957 HydrophobicContact CZ2-CG 4.04Å; W769-E957 HydrophobicContact CZ3-CB 4.11Å; W769-E957 HydrophobicContact CZ3-CG 4.05Å; N770-E957 WeakPolarHBondContact CB-OE1 3.48Å; N770-E957 PolarHBondContact N-OE1 3.23Å; Q952-E957 PolarHBondContact O-N 3.08Å; L953-E957 PolarHBondContact O-N 3.35Å; E957-R960 WeakPolarHBondContact O-CB 3.44Å; E957-R960 PolarHBondContact O-N 2.92Å; E957-R960 IonicContact OE1-NH1 2.86Å; E957-R960 PolarHBondContact OE1-NH1 3.24Å; E957-R960 VanDerWaalsContact OE1-NH1 3.11Å; E957-R960 WeakPolarHBondContact OE2-CD 3.04Å; E957-R960 IonicContact OE2-CZ 3.63Å; E957-R960 IonicContact OE2-NE 3.81Å; E957-R960 IonicContact OE2-NH1 3.58Å; E957-R960 PolarHBondContact OE2-NH1 3.12Å; E957-L961 WeakPolarHBondContact O-CB 3.01Å; E957-L961 PolarHBondContact O-N 2.91Å
958	V	88.8	Confident	91.1	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-63.5	-43.2	169.9	169.9	0	0	0	0	111.1	L732 L953 T956 R960 L961 E962	L732-V958 HydrophobicContact CD1-CG2 3.9Å; L953-V958 HydrophobicContact CD2-CG2 3.54Å; L953-V958 HydrophobicContact CG-CG2 4.15Å; L953-V958 WeakPolarHBondContact O-CB 3.26Å; L953-V958 WeakPolarHBondContact O-CG2 3.46Å; L953-V958 PolarHBondContact O-N 3.31Å; T956-V958 PolarHBondContact O-N 2.91Å; V958-R960 VanDerWaalsContact C-N 3.29Å; V958-R960 PolarHBondContact O-N 2.83Å; V958-L961 PolarHBondContact O-N 3.02Å; V958-E962 WeakPolarHBondContact O-CB 3.29Å; V958-E962 PolarHBondContact O-N 2.7Å
959	R	88	Confident	91.1	Very high	156 Å²	156	45.9 Å²	45.9	59%	0.589	21%	0.211	S	C	*	.	H	α-helix	trans	-66.6	-32.2	175.9	-64.7	-178.1	178	146.6	-9.2	112.2	N955 T956 K963	N955-R959 WeakPolarHBondContact O-CD 3.19Å; N955-R959 PolarHBondContact O-NH1 2.78Å; T956-R959 PolarHBondContact O-N 2.73Å; R959-K963 WeakPolarHBondContact O-CB 3.32Å; R959-K963 PolarHBondContact O-N 3.11Å
960	R	90.4	Very high	91	Very high	85 Å²	85	51.7 Å²	51.7	32%	0.321	24%	0.238	S	C	.	.	H	α-helix	trans	-71	-41.7	174.9	-164.3	-175.4	-164.8	170.3	-3.9	111.5	K768 N770 T956 E957 V958 K963 N964	K768-R960 PolarHBondContact O-NE 3.16Å; K768-R960 PolarHBondContact O-NH1 3.26Å; K768-R960 PolarHBondContact O-NH2 3.23Å; N770-R960 VanDerWaalsContact N-NH1 3.16Å; T956-R960 PolarHBondContact O-N 2.78Å; E957-R960 WeakPolarHBondContact O-CB 3.44Å; E957-R960 PolarHBondContact O-N 2.92Å; E957-R960 IonicContact OE1-NH1 2.86Å; E957-R960 PolarHBondContact OE1-NH1 3.24Å; E957-R960 VanDerWaalsContact OE1-NH1 3.11Å; E957-R960 WeakPolarHBondContact OE2-CD 3.04Å; E957-R960 IonicContact OE2-CZ 3.63Å; E957-R960 IonicContact OE2-NE 3.81Å; E957-R960 IonicContact OE2-NH1 3.58Å; E957-R960 PolarHBondContact OE2-NH1 3.12Å; V958-R960 VanDerWaalsContact C-N 3.29Å; V958-R960 PolarHBondContact O-N 2.83Å; R960-K963 PolarHBondContact O-N 3.11Å; R960-N964 VanDerWaalsContact O-CG 3.3Å; R960-N964 PolarHBondContact O-N 3.03Å; R960-N964 PolarHBondContact O-OD1 2.66Å; R960-N964 VanDerWaalsContact O-OD1 3.14Å
961	L	91.1	Very high	90.9	Very high	2 Å²	2	53 Å²	53	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-44.3	172.3	-177.1	61.4	0	0	0	111.1	L663 L732 F736 E957 V958 K963 N964 V965	L663-L961 HydrophobicContact CD2-CD2 4.06Å; L732-L961 HydrophobicContact CD1-CD2 4.23Å; L732-L961 HydrophobicContact CD2-CD2 4.47Å; L732-L961 HydrophobicContact CG-CD2 4.24Å; F736-L961 HydrophobicContact CB-CD2 4.06Å; F736-L961 HydrophobicContact CD1-CD2 4.23Å; F736-L961 HydrophobicContact CD2-CD2 4.14Å; F736-L961 HydrophobicContact CE1-CD1 4.49Å; F736-L961 HydrophobicContact CG-CD2 3.88Å; E957-L961 WeakPolarHBondContact O-CB 3.01Å; E957-L961 PolarHBondContact O-N 2.91Å; V958-L961 PolarHBondContact O-N 3.02Å; L961-K963 VanDerWaalsContact C-N 3.33Å; L961-K963 PolarHBondContact O-N 3.29Å; L961-N964 WeakPolarHBondContact O-CB 3.43Å; L961-N964 PolarHBondContact O-N 2.94Å; L961-N964 VanDerWaalsContact O-N 3.16Å; L961-V965 WeakPolarHBondContact O-CG2 3.32Å; L961-V965 PolarHBondContact O-N 3.4Å
962	E	90.6	Very high	90.9	Very high	46 Å²	46	49.4 Å²	49.4	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-56.1	-45.6	173	177.5	-166.5	169.7	0	0	112	V660 V958 V965 K966	V660-E962 HydrophobicContact CG1-CB 3.63Å; V660-E962 HydrophobicContact CG1-CG 3.7Å; V958-E962 WeakPolarHBondContact O-CB 3.29Å; V958-E962 PolarHBondContact O-N 2.7Å; E962-V965 PolarHBondContact O-N 3.07Å; E962-K966 HydrophobicContact CG-CD 4.44Å; E962-K966 WeakPolarHBondContact O-CG 3.27Å; E962-K966 PolarHBondContact O-N 3.44Å; E962-K966 VanDerWaalsContact O-N 3.08Å; E962-K966 WeakPolarHBondContact OE1-CE 3.3Å; E962-K966 IonicContact OE1-NZ 3.52Å; E962-K966 PolarHBondContact OE1-NZ 2.88Å
963	K	91.3	Very high	90.8	Very high	118 Å²	118	49.1 Å²	49.1	51%	0.513	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-47	174.8	-173.7	-170.7	165.9	-159.5	0	111.4	R959 R960 L961 V965 K966 E967	R959-K963 WeakPolarHBondContact O-CB 3.32Å; R959-K963 PolarHBondContact O-N 3.11Å; R960-K963 PolarHBondContact O-N 3.11Å; L961-K963 VanDerWaalsContact C-N 3.33Å; L961-K963 PolarHBondContact O-N 3.29Å; K963-V965 VanDerWaalsContact C-N 3.33Å; K963-V965 PolarHBondContact O-N 2.86Å; K963-K966 WeakPolarHBondContact O-CB 3.27Å; K963-K966 PolarHBondContact O-N 3.35Å; K963-E967 WeakPolarHBondContact CE-OE1 3.46Å; K963-E967 IonicContact NZ-OE1 3.2Å; K963-E967 PolarHBondContact NZ-OE1 2.94Å; K963-E967 PolarHBondContact O-N 3.42Å
964	N	92.2	Very high	90.8	Very high	17 Å²	17	55.6 Å²	55.6	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-60	-42.4	178.7	-73	11.9	0	0	0	111.9	R766 H767 R960 L961 K966 E967 V968	R766-N964 PolarHBondContact O-ND2 3.04Å; H767-N964 VanDerWaalsContact CA-ND2 3.33Å; H767-N964 WeakPolarHBondContact CA-ND2 3.44Å; H767-N964 PolarHBondContact N-ND2 3.37Å; R960-N964 VanDerWaalsContact O-CG 3.3Å; R960-N964 PolarHBondContact O-N 3.03Å; R960-N964 PolarHBondContact O-OD1 2.66Å; R960-N964 VanDerWaalsContact O-OD1 3.14Å; L961-N964 WeakPolarHBondContact O-CB 3.43Å; L961-N964 PolarHBondContact O-N 2.94Å; L961-N964 VanDerWaalsContact O-N 3.16Å; N964-K966 VanDerWaalsContact C-N 3.33Å; N964-K966 PolarHBondContact O-N 2.89Å; N964-E967 PolarHBondContact O-N 3.22Å; N964-V968 VanDerWaalsContact O-CG2 3.32Å; N964-V968 WeakPolarHBondContact O-CG2 3.22Å; N964-V968 PolarHBondContact O-N 3.09Å
965	V	93.4	Very high	90.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-40.5	176.4	172.9	0	0	0	0	111	I656 V660 F736 V759 S763 L961 E962 K963 V968 L969	I656-V965 HydrophobicContact CG2-CG1 3.86Å; V660-V965 HydrophobicContact CG2-CB 4.32Å; V660-V965 HydrophobicContact CG2-CG1 4.02Å; V660-V965 HydrophobicContact CG2-CG2 4.14Å; F736-V965 HydrophobicContact CE2-CG2 4.17Å; F736-V965 HydrophobicContact CZ-CG2 3.88Å; V759-V965 HydrophobicContact CG1-CG1 3.91Å; S763-V965 WeakPolarHBondContact OG-CG2 3.28Å; L961-V965 WeakPolarHBondContact O-CG2 3.32Å; L961-V965 PolarHBondContact O-N 3.4Å; E962-V965 PolarHBondContact O-N 3.07Å; K963-V965 VanDerWaalsContact C-N 3.33Å; K963-V965 PolarHBondContact O-N 2.86Å; V965-V968 PolarHBondContact O-N 3.06Å; V965-L969 HydrophobicContact CG1-CD1 3.74Å; V965-L969 HydrophobicContact CG1-CG 4.34Å; V965-L969 WeakPolarHBondContact O-CB 3.4Å; V965-L969 VanDerWaalsContact O-CG 3.28Å; V965-L969 WeakPolarHBondContact O-CG 3.32Å; V965-L969 PolarHBondContact O-N 3.19Å
966	K	93	Very high	90.7	Very high	81 Å²	81	55.5 Å²	55.5	35%	0.352	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-47.6	174.3	-72.8	169.1	-175.8	176.3	0	112.1	L657 E962 K963 N964 V968 L969 E970	L657-K966 HydrophobicContact CD2-CD 4.33Å; L657-K966 HydrophobicContact CD2-CG 3.56Å; E962-K966 HydrophobicContact CG-CD 4.44Å; E962-K966 WeakPolarHBondContact O-CG 3.27Å; E962-K966 PolarHBondContact O-N 3.44Å; E962-K966 VanDerWaalsContact O-N 3.08Å; E962-K966 WeakPolarHBondContact OE1-CE 3.3Å; E962-K966 IonicContact OE1-NZ 3.52Å; E962-K966 PolarHBondContact OE1-NZ 2.88Å; K963-K966 WeakPolarHBondContact O-CB 3.27Å; K963-K966 PolarHBondContact O-N 3.35Å; N964-K966 VanDerWaalsContact C-N 3.33Å; N964-K966 PolarHBondContact O-N 2.89Å; K966-V968 VanDerWaalsContact C-N 3.35Å; K966-V968 PolarHBondContact O-N 3.49Å; K966-L969 PolarHBondContact O-N 3.39Å; K966-E970 WeakPolarHBondContact O-CG 3.15Å; K966-E970 PolarHBondContact O-N 3Å
967	E	93.4	Very high	90.7	Very high	78 Å²	78	57.8 Å²	57.8	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-38.3	177.1	-70	179.7	164.7	0	0	112.1	K963 N964 E970 D971	K963-E967 WeakPolarHBondContact CE-OE1 3.46Å; K963-E967 IonicContact NZ-OE1 3.2Å; K963-E967 PolarHBondContact NZ-OE1 2.94Å; K963-E967 PolarHBondContact O-N 3.42Å; N964-E967 PolarHBondContact O-N 3.22Å; E967-E970 PolarHBondContact O-N 3.49Å; E967-D971 PolarHBondContact O-N 3.14Å
968	V	94.1	Very high	90.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.5	-40.6	174.2	171.6	0	0	0	0	112	V759 E762 N964 V965 K966 E970 D971 F972	V759-V968 HydrophobicContact CB-CG1 4.39Å; V759-V968 HydrophobicContact CG1-CG1 4.2Å; V759-V968 HydrophobicContact CG2-CG1 4.23Å; E762-V968 HydrophobicContact CB-CG1 4.1Å; E762-V968 HydrophobicContact CB-CG2 4.37Å; E762-V968 HydrophobicContact CG-CG1 4.06Å; E762-V968 HydrophobicContact CG-CG2 3.83Å; N964-V968 VanDerWaalsContact O-CG2 3.32Å; N964-V968 WeakPolarHBondContact O-CG2 3.22Å; N964-V968 PolarHBondContact O-N 3.09Å; V965-V968 PolarHBondContact O-N 3.06Å; K966-V968 VanDerWaalsContact C-N 3.35Å; K966-V968 PolarHBondContact O-N 3.49Å; V968-E970 VanDerWaalsContact C-N 3.33Å; V968-D971 PolarHBondContact O-N 2.84Å; V968-F972 HydrophobicContact CG1-CD1 4.29Å; V968-F972 HydrophobicContact CG1-CE1 3.98Å; V968-F972 HydrophobicContact CG1-CE2 4.33Å; V968-F972 HydrophobicContact CG1-CZ 4Å; V968-F972 WeakPolarHBondContact O-CB 3.3Å; V968-F972 VanDerWaalsContact O-CD1 3.26Å; V968-F972 WeakPolarHBondContact O-CD1 3.46Å; V968-F972 WeakPolarHBondContact O-CG 3.45Å; V968-F972 PolarHBondContact O-N 2.65Å
969	L	92.9	Very high	90.3	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-68.1	-31.6	176.4	-74.2	166.2	0	0	0	112.4	F649 K653 I656 L657 V759 V965 K966 A973	F649-L969 WeakPolarHBondContact CZ-O 3.22Å; K653-L969 HydrophobicContact CB-CD2 4.4Å; K653-L969 HydrophobicContact CG-CB 4.41Å; K653-L969 HydrophobicContact CG-CD1 4.22Å; K653-L969 HydrophobicContact CG-CD2 4.42Å; I656-L969 HydrophobicContact CB-CD1 4.43Å; I656-L969 HydrophobicContact CD1-CD2 4.18Å; I656-L969 HydrophobicContact CG2-CD1 3.96Å; L657-L969 HydrophobicContact CD2-CD1 4.07Å; L657-L969 HydrophobicContact CG-CD1 4.09Å; V759-L969 HydrophobicContact CG1-CD2 4.35Å; V759-L969 HydrophobicContact CG1-CG 4.28Å; V759-L969 HydrophobicContact CG2-CD2 3.78Å; V759-L969 HydrophobicContact CG2-CG 4.42Å; V965-L969 HydrophobicContact CG1-CD1 3.74Å; V965-L969 HydrophobicContact CG1-CG 4.34Å; V965-L969 WeakPolarHBondContact O-CB 3.4Å; V965-L969 VanDerWaalsContact O-CG 3.28Å; V965-L969 WeakPolarHBondContact O-CG 3.32Å; V965-L969 PolarHBondContact O-N 3.19Å; K966-L969 PolarHBondContact O-N 3.39Å; L969-A973 WeakPolarHBondContact O-CB 3.19Å; L969-A973 PolarHBondContact O-N 2.87Å
970	E	92	Very high	90.2	Very high	122 Å²	122	58.7 Å²	58.7	57%	0.57	29%	0.286	S	S	*	.	H	α-helix	trans	-71.6	-45.3	172.8	-73.5	178.9	-173.5	0	0	111.7	K966 E967 V968 F972 A973 E974	K966-E970 WeakPolarHBondContact O-CG 3.15Å; K966-E970 PolarHBondContact O-N 3Å; E967-E970 PolarHBondContact O-N 3.49Å; V968-E970 VanDerWaalsContact C-N 3.33Å; E970-F972 PolarHBondContact O-N 3.16Å; E970-A973 WeakPolarHBondContact O-CA 3.35Å; E970-A973 VanDerWaalsContact O-CB 3.3Å; E970-A973 WeakPolarHBondContact O-CB 3.29Å; E970-A973 PolarHBondContact O-N 3.07Å; E970-E974 PolarHBondContact O-N 3.1Å; E970-E974 VanDerWaalsContact O-N 3.16Å
971	D	92.3	Very high	90.1	Very high	72 Å²	72	60.9 Å²	60.9	39%	0.385	30%	0.298	S	S	.	.	H	α-helix	trans	-57.4	-35.2	172.3	-80	-12.1	0	0	0	112.6	R766 E967 V968 D975	R766-D971 IonicContact CZ-OD2 2.61Å; R766-D971 IonicContact NH1-OD2 2.62Å; R766-D971 PolarHBondContact NH1-OD2 2.72Å; R766-D971 IonicContact NH2-OD2 3.93Å; R766-D971 PolarHBondContact NH2-OD2 2.7Å; E967-D971 PolarHBondContact O-N 3.14Å; V968-D971 PolarHBondContact O-N 2.84Å; D971-D975 PolarHBondContact O-N 2.86Å
972	F	91.6	Very high	89.9	Confident	13 Å²	13	62.2 Å²	62.2	6%	0.057	31%	0.305	C	S	.	.	H	α-helix	trans	-83.1	-15.3	177.3	-73.2	24.8	0	0	0	112	F649 L755 A758 V759 E762 V968 E970 K978 K979 L982	F649-F972 HydrophobicContact CE2-CB 3.94Å; F649-F972 HydrophobicContact CZ-CB 3.84Å; L755-F972 HydrophobicContact CD1-CD2 3.88Å; L755-F972 HydrophobicContact CD1-CE2 4.49Å; A758-F972 HydrophobicContact CB-CE2 3.95Å; V759-F972 HydrophobicContact CG2-CD2 4Å; V759-F972 HydrophobicContact CG2-CE2 4Å; E762-F972 HydrophobicContact CB-CZ 4.41Å; V968-F972 HydrophobicContact CG1-CD1 4.29Å; V968-F972 HydrophobicContact CG1-CE1 3.98Å; V968-F972 HydrophobicContact CG1-CE2 4.33Å; V968-F972 HydrophobicContact CG1-CZ 4Å; V968-F972 WeakPolarHBondContact O-CB 3.3Å; V968-F972 VanDerWaalsContact O-CD1 3.26Å; V968-F972 WeakPolarHBondContact O-CD1 3.46Å; V968-F972 WeakPolarHBondContact O-CG 3.45Å; V968-F972 PolarHBondContact O-N 2.65Å; E970-F972 PolarHBondContact O-N 3.16Å; F972-K978 HydrophobicContact CD1-CD 3.5Å; F972-K978 HydrophobicContact CD2-CD 4.49Å; F972-K978 HydrophobicContact CE1-CD 3.63Å; F972-K978 HydrophobicContact CG-CD 3.98Å; F972-K978 HydrophobicContact CZ-CD 4.2Å; F972-K979 WeakPolarHBondContact O-CE 3.49Å; F972-L982 HydrophobicContact CD2-CD1 3.78Å; F972-L982 HydrophobicContact CE2-CD1 3.81Å
973	A	89.7	Confident	89.7	Confident	27 Å²	27	60 Å²	60	22%	0.223	30%	0.295	C	S	.	.	H	α-helix	trans	-76.3	-37.1	172.6	0	0	0	0	0	111.8	F649 L969 E970 K979	F649-A973 HydrophobicContact CE1-CB 3.72Å; F649-A973 HydrophobicContact CZ-CB 4.24Å; L969-A973 WeakPolarHBondContact O-CB 3.19Å; L969-A973 PolarHBondContact O-N 2.87Å; E970-A973 WeakPolarHBondContact O-CA 3.35Å; E970-A973 VanDerWaalsContact O-CB 3.3Å; E970-A973 WeakPolarHBondContact O-CB 3.29Å; E970-A973 PolarHBondContact O-N 3.07Å; A973-K979 VanDerWaalsContact O-CE 3.27Å; A973-K979 WeakPolarHBondContact O-CE 3.47Å; A973-K979 PolarHBondContact O-NZ 2.82Å
974	E	89.7	Confident	89.3	Confident	136 Å²	136	56.7 Å²	56.7	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-78.6	-25.6	177.7	-60.9	-168.7	169.1	0	0	112.5	K222 E970 S976	K222-E974 IonicContact NZ-OE1 2.58Å; K222-E974 PolarHBondContact NZ-OE1 3.03Å; K222-E974 IonicContact NZ-OE2 3.45Å; E970-E974 PolarHBondContact O-N 3.1Å; E970-E974 VanDerWaalsContact O-N 3.16Å; E974-S976 PolarHBondContact O-N 3.28Å
975	D	89.4	Confident	88.9	Confident	47 Å²	47	57.2 Å²	57.2	25%	0.251	29%	0.294	S	S	.	.			trans	-88.3	96.8	-177.7	-167.5	-35.5	0	0	0	114.2	D971 E977 K978 K979	D971-D975 PolarHBondContact O-N 2.86Å; D975-E977 VanDerWaalsContact C-N 3.31Å; D975-E977 PolarHBondContact O-N 3.14Å; D975-E977 WeakPolarHBondContact OD1-CA 3.07Å; D975-E977 WeakPolarHBondContact OD1-CB 3.3Å; D975-E977 PolarHBondContact OD1-N 3.46Å; D975-K978 HydrophobicContact CB-CB 4.02Å; D975-K978 HydrophobicContact CB-CD 4.04Å; D975-K978 HydrophobicContact CB-CG 4.08Å; D975-K978 PolarHBondContact O-N 3.18Å; D975-K978 PolarHBondContact OD1-N 3.21Å; D975-K978 WeakPolarHBondContact OD2-CE 3.31Å; D975-K978 WeakPolarHBondContact OD2-CG 3.5Å; D975-K978 IonicContact OD2-NZ 3.26Å; D975-K978 PolarHBondContact OD2-NZ 3.14Å; D975-K979 PolarHBondContact O-N 2.9Å; D975-K979 VanDerWaalsContact O-N 3.14Å
976	S	83.8	Confident	88.4	Confident	83 Å²	83	64.8 Å²	64.8	58%	0.58	33%	0.327	S	S	*	.	H	α-helix	trans	-56.7	-35.6	173.9	-62.7	0	0	0	0	114.3	E974 I980	E974-S976 PolarHBondContact O-N 3.28Å; S976-I980 WeakPolarHBondContact O-CD1 3.45Å; S976-I980 VanDerWaalsContact O-CG1 3.28Å; S976-I980 WeakPolarHBondContact O-CG1 3.12Å; S976-I980 PolarHBondContact O-N 3.04Å; S976-I980 VanDerWaalsContact O-N 3.13Å
977	E	87	Confident	88	Confident	118 Å²	118	62.5 Å²	62.5	55%	0.551	32%	0.316	S	S	*	.	H	α-helix	trans	-73.7	-41.6	-179.4	-79.1	-164	-149.2	0	0	111.9	D975 K979 I980 K981	D975-E977 VanDerWaalsContact C-N 3.31Å; D975-E977 PolarHBondContact O-N 3.14Å; D975-E977 WeakPolarHBondContact OD1-CA 3.07Å; D975-E977 WeakPolarHBondContact OD1-CB 3.3Å; D975-E977 PolarHBondContact OD1-N 3.46Å; E977-K979 VanDerWaalsContact C-N 3.31Å; E977-K979 PolarHBondContact O-N 2.89Å; E977-I980 PolarHBondContact O-N 2.99Å; E977-K981 WeakPolarHBondContact O-CB 3.46Å; E977-K981 WeakPolarHBondContact O-CD 3.34Å; E977-K981 VanDerWaalsContact O-CG 3.25Å; E977-K981 WeakPolarHBondContact O-CG 3.38Å; E977-K981 PolarHBondContact O-N 2.71Å; E977-K981 WeakPolarHBondContact OE2-CE 3.27Å; E977-K981 IonicContact OE2-NZ 2.74Å; E977-K981 PolarHBondContact OE2-NZ 3.01Å
978	K	84.4	Confident	87.7	Confident	73 Å²	73	58.8 Å²	58.8	32%	0.317	30%	0.299	S	S	.	.	H	α-helix	trans	-59.1	-45	173	-76.1	-175.3	-164.7	97.7	0	110.3	F972 D975 I980 K981 L982	F972-K978 HydrophobicContact CD1-CD 3.5Å; F972-K978 HydrophobicContact CD2-CD 4.49Å; F972-K978 HydrophobicContact CE1-CD 3.63Å; F972-K978 HydrophobicContact CG-CD 3.98Å; F972-K978 HydrophobicContact CZ-CD 4.2Å; D975-K978 HydrophobicContact CB-CB 4.02Å; D975-K978 HydrophobicContact CB-CD 4.04Å; D975-K978 HydrophobicContact CB-CG 4.08Å; D975-K978 PolarHBondContact O-N 3.18Å; D975-K978 PolarHBondContact OD1-N 3.21Å; D975-K978 WeakPolarHBondContact OD2-CE 3.31Å; D975-K978 WeakPolarHBondContact OD2-CG 3.5Å; D975-K978 IonicContact OD2-NZ 3.26Å; D975-K978 PolarHBondContact OD2-NZ 3.14Å; K978-I980 VanDerWaalsContact C-N 3.33Å; K978-I980 PolarHBondContact O-N 2.86Å; K978-K981 PolarHBondContact O-N 2.87Å; K978-L982 HydrophobicContact CB-CD1 4.32Å; K978-L982 WeakPolarHBondContact O-CB 3.49Å; K978-L982 VanDerWaalsContact O-CG 3.23Å; K978-L982 WeakPolarHBondContact O-CG 3.47Å; K978-L982 PolarHBondContact O-N 3.33Å
979	K	87.1	Confident	87.3	Confident	21 Å²	21	64 Å²	64	9%	0.091	32%	0.323	C	S	.	.	H	α-helix	trans	-53.3	-49.4	173.8	-75.1	175.1	170.3	176.2	0	111.6	R645 N646 F649 F972 A973 D975 E977 K981 L983	R645-K979 WeakPolarHBondContact CD-O 3.32Å; R645-K979 HydrophobicContact CG-CB 4.28Å; N646-K979 PolarHBondContact OD1-NZ 2.69Å; F649-K979 HydrophobicContact CD2-CG 3.99Å; F649-K979 HydrophobicContact CE2-CG 4.39Å; F649-K979 HydrophobicContact CG-CG 4.48Å; F972-K979 WeakPolarHBondContact O-CE 3.49Å; A973-K979 VanDerWaalsContact O-CE 3.27Å; A973-K979 WeakPolarHBondContact O-CE 3.47Å; A973-K979 PolarHBondContact O-NZ 2.82Å; D975-K979 PolarHBondContact O-N 2.9Å; D975-K979 VanDerWaalsContact O-N 3.14Å; E977-K979 VanDerWaalsContact C-N 3.31Å; E977-K979 PolarHBondContact O-N 2.89Å; K979-K981 VanDerWaalsContact C-N 3.35Å; K979-K981 PolarHBondContact O-N 2.72Å; K979-L983 WeakPolarHBondContact O-CB 3.25Å; K979-L983 PolarHBondContact O-N 3.44Å
980	I	85.6	Confident	87	Confident	92 Å²	92	64.6 Å²	64.6	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-61.6	-40.9	179.3	-67.6	160.9	0	0	0	111.8	S976 E977 K978 T984	S976-I980 WeakPolarHBondContact O-CD1 3.45Å; S976-I980 VanDerWaalsContact O-CG1 3.28Å; S976-I980 WeakPolarHBondContact O-CG1 3.12Å; S976-I980 PolarHBondContact O-N 3.04Å; S976-I980 VanDerWaalsContact O-N 3.13Å; E977-I980 PolarHBondContact O-N 2.99Å; K978-I980 VanDerWaalsContact C-N 3.33Å; K978-I980 PolarHBondContact O-N 2.86Å; I980-T984 WeakPolarHBondContact O-CG2 3.24Å
981	K	87.5	Confident	86.7	Confident	130 Å²	130	59 Å²	59	57%	0.565	30%	0.3	S	S	*	.	H	α-helix	trans	-75.1	-34.4	-177.3	-68.6	162.1	-170	168.3	0	113.3	E977 K978 K979 T984	E977-K981 WeakPolarHBondContact O-CB 3.46Å; E977-K981 WeakPolarHBondContact O-CD 3.34Å; E977-K981 VanDerWaalsContact O-CG 3.25Å; E977-K981 WeakPolarHBondContact O-CG 3.38Å; E977-K981 PolarHBondContact O-N 2.71Å; E977-K981 WeakPolarHBondContact OE2-CE 3.27Å; E977-K981 IonicContact OE2-NZ 2.74Å; E977-K981 PolarHBondContact OE2-NZ 3.01Å; K978-K981 PolarHBondContact O-N 2.87Å; K979-K981 VanDerWaalsContact C-N 3.35Å; K979-K981 PolarHBondContact O-N 2.72Å; K981-T984 VanDerWaalsContact O-CG2 3.3Å; K981-T984 WeakPolarHBondContact O-CG2 3.44Å
982	L	86.6	Confident	86.4	Confident	30 Å²	30	57.5 Å²	57.5	16%	0.157	29%	0.291	C	S	.	.	H	α-helix	trans	-86	-58.1	-177.7	-62	172.5	0	0	0	111.2	L755 A758 F972 K978 T984	L755-L982 HydrophobicContact CD1-CD1 3.75Å; A758-L982 HydrophobicContact CB-CD1 4.11Å; A758-L982 HydrophobicContact CB-CD2 3.63Å; F972-L982 HydrophobicContact CD2-CD1 3.78Å; F972-L982 HydrophobicContact CE2-CD1 3.81Å; K978-L982 HydrophobicContact CB-CD1 4.32Å; K978-L982 WeakPolarHBondContact O-CB 3.49Å; K978-L982 VanDerWaalsContact O-CG 3.23Å; K978-L982 WeakPolarHBondContact O-CG 3.47Å; K978-L982 PolarHBondContact O-N 3.33Å; L982-T984 VanDerWaalsContact C-N 3.31Å; L982-T984 PolarHBondContact O-N 3.23Å; L982-T984 PolarHBondContact O-OG1 3.45Å; L982-T984 VanDerWaalsContact O-OG1 3.13Å
983	L	86.4	Confident	86.1	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.005	30%	0.303	C	S	.	.	S	Bend	trans	-80.4	79.1	-177.6	-64.7	174.6	0	0	0	110.8	R645 L648 F649 I751 F752 L755 K979	R645-L983 HydrophobicContact CG-CB 3.99Å; R645-L983 HydrophobicContact CG-CD1 3.92Å; R645-L983 PolarHBondContact NE-O 2.59Å; R645-L983 WeakPolarHBondContact O-CD1 3.41Å; L648-L983 HydrophobicContact CB-CD1 4.43Å; F649-L983 HydrophobicContact CB-CD1 3.73Å; F649-L983 HydrophobicContact CD2-CD1 4.1Å; F649-L983 HydrophobicContact CG-CD1 4.44Å; I751-L983 HydrophobicContact CG2-CD2 4.15Å; F752-L983 HydrophobicContact CD1-CD2 4.07Å; F752-L983 HydrophobicContact CE1-CD2 4.47Å; L755-L983 HydrophobicContact CB-CD2 4.5Å; L755-L983 HydrophobicContact CD2-CD2 4.15Å; K979-L983 WeakPolarHBondContact O-CB 3.25Å; K979-L983 PolarHBondContact O-N 3.44Å
984	T	82.6	Confident	86	Confident	48 Å²	48	58.3 Å²	58.3	29%	0.294	29%	0.292	S	S	.	.			trans	-116.1	134.8	-171.7	45.3	0	0	0	0	111.8	K754 I980 K981 L982	K754-T984 PolarHBondContact NZ-OG1 3.03Å; I980-T984 WeakPolarHBondContact O-CG2 3.24Å; K981-T984 VanDerWaalsContact O-CG2 3.3Å; K981-T984 WeakPolarHBondContact O-CG2 3.44Å; L982-T984 VanDerWaalsContact C-N 3.31Å; L982-T984 PolarHBondContact O-N 3.23Å; L982-T984 PolarHBondContact O-OG1 3.45Å; L982-T984 VanDerWaalsContact O-OG1 3.13Å
985	G	83.5	Confident	85.8	Confident	28 Å²	28	56.4 Å²	56.4	29%	0.289	28%	0.282	S	S	.	.	S	Bend	trans	158	158.3	175.1	0	0	0	0	0	112.1	R987 V988 Q989	G985-R987 PolarHBondContact O-N 3.24Å; G985-V988 PolarHBondContact O-N 2.91Å; G985-Q989 PolarHBondContact O-N 3.23Å; G985-Q989 VanDerWaalsContact O-N 3.16Å
986	K	83.1	Confident	85.6	Confident	159 Å²	159	58.4 Å²	58.4	69%	0.691	29%	0.288	S	S	*	.	H	α-helix	trans	-55.8	-38.1	-179.1	-68.3	-169.8	174.7	-168.8	0	112.8	V988 Q989 L990	K986-V988 VanDerWaalsContact C-N 3.34Å; K986-V988 PolarHBondContact O-N 3.01Å; K986-Q989 PolarHBondContact O-N 3.36Å; K986-L990 WeakPolarHBondContact O-CB 3.36Å; K986-L990 PolarHBondContact O-N 2.97Å
987	R	86.3	Confident	85.8	Confident	33 Å²	33	54.4 Å²	54.4	13%	0.125	26%	0.261	C	S	.	.	H	α-helix	trans	-56.5	-45.6	175	-163.7	177.5	81.8	-152.5	7.1	112.1	W633 Y637 D749 I751 G985 A991	W633-R987 HydrophobicContact CH2-CG 3.55Å; W633-R987 HydrophobicContact CZ3-CG 3.7Å; W633-R987 WeakPolarHBondContact CZ3-O 3.41Å; Y637-R987 HydrophobicContact CD1-CG 4.31Å; Y637-R987 HydrophobicContact CD2-CG 4.05Å; Y637-R987 HydrophobicContact CE1-CB 4.2Å; Y637-R987 HydrophobicContact CE1-CG 4.12Å; Y637-R987 HydrophobicContact CE2-CB 3.88Å; Y637-R987 HydrophobicContact CE2-CG 3.85Å; Y637-R987 HydrophobicContact CG-CG 4.29Å; Y637-R987 PolarHBondContact OH-N 3.23Å; D749-R987 VanDerWaalsContact CG-NH2 3.27Å; D749-R987 IonicContact OD1-CZ 3.62Å; D749-R987 VanDerWaalsContact OD1-CZ 3.23Å; D749-R987 IonicContact OD1-NH1 3.48Å; D749-R987 PolarHBondContact OD1-NH1 2.85Å; D749-R987 IonicContact OD1-NH2 2.71Å; D749-R987 PolarHBondContact OD1-NH2 2.67Å; D749-R987 IonicContact OD2-CZ 2.67Å; D749-R987 IonicContact OD2-NH1 3.62Å; D749-R987 IonicContact OD2-NH2 3.75Å; D749-R987 PolarHBondContact OD2-NH2 2.96Å; I751-R987 HydrophobicContact CD1-CB 3.94Å; I751-R987 VanDerWaalsContact CD1-CZ 3.45Å; G985-R987 PolarHBondContact O-N 3.24Å; R987-A991 WeakPolarHBondContact O-CB 3.26Å; R987-A991 PolarHBondContact O-N 3.3Å; R987-A991 VanDerWaalsContact O-N 3.11Å
988	V	86.3	Confident	85.8	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.4	-45.9	-178.7	-166.1	0	0	0	0	110.6	R645 L648 I751 G985 K986 A991 E992	R645-V988 HydrophobicContact CB-CG1 3.99Å; R645-V988 HydrophobicContact CG-CG1 4.39Å; L648-V988 HydrophobicContact CD1-CB 4.44Å; L648-V988 HydrophobicContact CD1-CG1 4.1Å; L648-V988 HydrophobicContact CD1-CG2 3.91Å; I751-V988 HydrophobicContact CD1-CG2 3.92Å; I751-V988 HydrophobicContact CG2-CG2 3.88Å; G985-V988 PolarHBondContact O-N 2.91Å; K986-V988 VanDerWaalsContact C-N 3.34Å; K986-V988 PolarHBondContact O-N 3.01Å; V988-A991 PolarHBondContact O-N 3.46Å; V988-E992 WeakPolarHBondContact O-CG 3.35Å; V988-E992 PolarHBondContact O-N 3.42Å; V988-E992 VanDerWaalsContact O-N 3.09Å
989	Q	85.6	Confident	85.9	Confident	109 Å²	109	52.2 Å²	52.2	51%	0.509	25%	0.249	S	C	.	.	H	α-helix	trans	-60.1	-48.8	178.9	-67.5	172.8	-50.5	0	0	111.3	G985 K986 A991 E992 D993	G985-Q989 PolarHBondContact O-N 3.23Å; G985-Q989 VanDerWaalsContact O-N 3.16Å; K986-Q989 PolarHBondContact O-N 3.36Å; Q989-A991 PolarHBondContact O-N 2.84Å; Q989-E992 PolarHBondContact O-N 2.94Å; Q989-D993 PolarHBondContact O-N 3.28Å
990	L	86.4	Confident	85.9	Confident	15 Å²	15	51.4 Å²	51.4	8%	0.079	25%	0.246	C	C	.	.	H	α-helix	trans	-65.7	-38.8	-177.7	-155.7	153.7	0	0	0	111.9	L629 E632 W633 K986 L994	L629-L990 HydrophobicContact CD2-CG 4.27Å; L629-L990 WeakPolarHBondContact O-CD2 3.39Å; E632-L990 HydrophobicContact CB-CD1 3.97Å; E632-L990 VanDerWaalsContact CD-CD1 3.44Å; E632-L990 HydrophobicContact CG-CD1 3.56Å; W633-L990 HydrophobicContact CB-CD2 3.87Å; W633-L990 HydrophobicContact CE3-CD2 3.94Å; K986-L990 WeakPolarHBondContact O-CB 3.36Å; K986-L990 PolarHBondContact O-N 2.97Å; L990-L994 HydrophobicContact CD2-CD1 4.08Å; L990-L994 WeakPolarHBondContact O-CB 3.43Å; L990-L994 PolarHBondContact O-N 2.83Å
991	A	86.8	Confident	85.9	Confident	3 Å²	3	48.3 Å²	48.3	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-46	173.4	0	0	0	0	0	112.3	W633 L643 R987 V988 Q989 K995	W633-A991 HydrophobicContact CH2-CB 4.35Å; W633-A991 HydrophobicContact CZ3-CB 3.84Å; L643-A991 WeakPolarHBondContact O-CB 3.37Å; R987-A991 WeakPolarHBondContact O-CB 3.26Å; R987-A991 PolarHBondContact O-N 3.3Å; R987-A991 VanDerWaalsContact O-N 3.11Å; V988-A991 PolarHBondContact O-N 3.46Å; Q989-A991 PolarHBondContact O-N 2.84Å; A991-K995 WeakPolarHBondContact O-CB 3.36Å; A991-K995 PolarHBondContact O-N 3.45Å
992	E	85.6	Confident	85.9	Confident	41 Å²	41	47.6 Å²	47.6	19%	0.192	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-44.3	179.7	-71.6	-175.7	138.7	0	0	112.6	R645 V988 Q989 K995 K996	R645-E992 WeakPolarHBondContact CB-OE1 3.3Å; R645-E992 IonicContact CZ-OE1 3.56Å; R645-E992 VanDerWaalsContact CZ-OE1 3.3Å; R645-E992 IonicContact CZ-OE2 3.78Å; R645-E992 IonicContact NE-OE1 2.94Å; R645-E992 IonicContact NH1-OE1 2.69Å; R645-E992 PolarHBondContact NH1-OE1 3.37Å; R645-E992 IonicContact NH1-OE2 2.65Å; R645-E992 PolarHBondContact NH1-OE2 2.91Å; R645-E992 IonicContact NH2-OE1 3.61Å; R645-E992 IonicContact NH2-OE2 3.38Å; R645-E992 PolarHBondContact NH2-OE2 3.39Å; V988-E992 WeakPolarHBondContact O-CG 3.35Å; V988-E992 PolarHBondContact O-N 3.42Å; V988-E992 VanDerWaalsContact O-N 3.09Å; Q989-E992 PolarHBondContact O-N 2.94Å; E992-K995 PolarHBondContact O-N 3.43Å; E992-K996 VanDerWaalsContact O-CG 3.29Å; E992-K996 WeakPolarHBondContact O-CG 3.45Å; E992-K996 PolarHBondContact O-N 3.2Å
993	D	85.1	Confident	85.9	Confident	58 Å²	58	49.1 Å²	49.1	31%	0.31	23%	0.233	S	C	.	.	H	α-helix	trans	-69.4	-36.9	-179.5	-66.6	-26.8	0	0	0	111.5	Q989 K996 V997	Q989-D993 PolarHBondContact O-N 3.28Å; D993-K996 PolarHBondContact O-N 3.06Å; D993-K996 IonicContact OD1-NZ 3.91Å; D993-K996 PolarHBondContact OD1-NZ 2.99Å; D993-V997 WeakPolarHBondContact O-CB 3.44Å; D993-V997 VanDerWaalsContact O-CG2 3.26Å; D993-V997 WeakPolarHBondContact O-CG2 3.49Å; D993-V997 PolarHBondContact O-N 3.1Å
994	L	87.1	Confident	85.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.8	-42.1	172.5	-166.9	169	0	0	0	111.1	L629 E630 W633 E642 L990 R998	L629-L994 HydrophobicContact CB-CB 4.28Å; L629-L994 HydrophobicContact CB-CD1 4.32Å; L629-L994 HydrophobicContact CB-CG 4.16Å; E630-L994 HydrophobicContact CG-CD1 4Å; E630-L994 HydrophobicContact CG-CD2 4.14Å; E630-L994 HydrophobicContact CG-CG 4.2Å; W633-L994 HydrophobicContact CB-CD1 4.17Å; E642-L994 HydrophobicContact CG-CD1 4.45Å; L990-L994 HydrophobicContact CD2-CD1 4.08Å; L990-L994 WeakPolarHBondContact O-CB 3.43Å; L990-L994 PolarHBondContact O-N 2.83Å; L994-R998 WeakPolarHBondContact O-CB 3.24Å; L994-R998 PolarHBondContact O-N 3.01Å
995	K	86.3	Confident	86.1	Confident	95 Å²	95	49 Å²	49	41%	0.413	23%	0.231	S	C	.	.	H	α-helix	trans	-63.9	-47.6	173.7	-178.5	176.3	179.1	-178.7	0	112.5	D644 A991 E992 V997 R998 E999	D644-K995 WeakPolarHBondContact OD1-CD 3.44Å; D644-K995 IonicContact OD1-NZ 3.85Å; D644-K995 VanDerWaalsContact OD2-CD 3.31Å; D644-K995 WeakPolarHBondContact OD2-CD 3.27Å; D644-K995 IonicContact OD2-NZ 2.8Å; D644-K995 PolarHBondContact OD2-NZ 2.94Å; A991-K995 WeakPolarHBondContact O-CB 3.36Å; A991-K995 PolarHBondContact O-N 3.45Å; E992-K995 PolarHBondContact O-N 3.43Å; K995-V997 VanDerWaalsContact C-N 3.33Å; K995-V997 PolarHBondContact O-N 3.27Å; K995-R998 WeakPolarHBondContact O-CB 3.38Å; K995-R998 PolarHBondContact O-N 3.46Å; K995-R998 VanDerWaalsContact O-N 3.16Å; K995-E999 PolarHBondContact O-N 3.16Å
996	K	85.3	Confident	86.2	Confident	89 Å²	89	50.1 Å²	50.1	39%	0.387	24%	0.237	S	C	.	.	H	α-helix	trans	-56.7	-47.5	177	-70.1	169	-162.4	160.3	0	111.1	Y333 E992 D993 R998 E999 I1000	Y333-K996 HydrophobicContact CD2-CB 3.87Å; Y333-K996 HydrophobicContact CD2-CD 3.98Å; Y333-K996 HydrophobicContact CD2-CG 4.49Å; Y333-K996 HydrophobicContact CE2-CB 3.91Å; Y333-K996 HydrophobicContact CE2-CD 4.14Å; E992-K996 VanDerWaalsContact O-CG 3.29Å; E992-K996 WeakPolarHBondContact O-CG 3.45Å; E992-K996 PolarHBondContact O-N 3.2Å; D993-K996 PolarHBondContact O-N 3.06Å; D993-K996 IonicContact OD1-NZ 3.91Å; D993-K996 PolarHBondContact OD1-NZ 2.99Å; K996-R998 VanDerWaalsContact C-N 3.32Å; K996-R998 PolarHBondContact O-N 2.62Å; K996-E999 PolarHBondContact O-N 3.35Å; K996-I1000 WeakPolarHBondContact O-CD1 3.2Å; K996-I1000 VanDerWaalsContact O-CG1 3.27Å; K996-I1000 WeakPolarHBondContact O-CG1 3.23Å; K996-I1000 PolarHBondContact O-N 3.23Å
997	V	87.1	Confident	86.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-37.8	178.1	169.3	0	0	0	0	111.4	Y333 F622 T625 R626 L629 D993 K995 I1000 Q1001	Y333-V997 HydrophobicContact CE2-CG2 4.01Å; Y333-V997 WeakPolarHBondContact OH-CG2 3.41Å; F622-V997 HydrophobicContact CD1-CG1 4.3Å; T625-V997 HydrophobicContact CG2-CG2 4.37Å; R626-V997 HydrophobicContact CB-CG1 3.68Å; R626-V997 HydrophobicContact CG-CG1 4.33Å; L629-V997 HydrophobicContact CD1-CB 4.48Å; L629-V997 HydrophobicContact CD1-CG2 4.11Å; D993-V997 WeakPolarHBondContact O-CB 3.44Å; D993-V997 VanDerWaalsContact O-CG2 3.26Å; D993-V997 WeakPolarHBondContact O-CG2 3.49Å; D993-V997 PolarHBondContact O-N 3.1Å; K995-V997 VanDerWaalsContact C-N 3.33Å; K995-V997 PolarHBondContact O-N 3.27Å; V997-I1000 PolarHBondContact O-N 3.22Å; V997-Q1001 WeakPolarHBondContact O-CB 3.23Å; V997-Q1001 PolarHBondContact O-N 3.42Å
998	R	87.4	Confident	86.4	Confident	59 Å²	59	42.3 Å²	42.3	22%	0.223	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-45.4	173.5	-176	179.3	-68.7	143.6	-3.5	111.6	E630 E642 L994 K995 K996 Q1001 E1002	E630-R998 IonicContact OE1-NH2 3.2Å; E630-R998 PolarHBondContact OE1-NH2 3.28Å; E642-R998 IonicContact OE1-NH2 2.66Å; E642-R998 PolarHBondContact OE1-NH2 3.25Å; E642-R998 IonicContact OE2-CZ 3.2Å; E642-R998 IonicContact OE2-NH1 2.82Å; E642-R998 PolarHBondContact OE2-NH1 3.24Å; E642-R998 IonicContact OE2-NH2 3.45Å; E642-R998 PolarHBondContact OE2-NH2 2.94Å; L994-R998 WeakPolarHBondContact O-CB 3.24Å; L994-R998 PolarHBondContact O-N 3.01Å; K995-R998 WeakPolarHBondContact O-CB 3.38Å; K995-R998 PolarHBondContact O-N 3.46Å; K995-R998 VanDerWaalsContact O-N 3.16Å; K996-R998 VanDerWaalsContact C-N 3.32Å; K996-R998 PolarHBondContact O-N 2.62Å; R998-Q1001 PolarHBondContact O-N 2.89Å; R998-E1002 VanDerWaalsContact CG-OE1 3.3Å; R998-E1002 WeakPolarHBondContact CG-OE1 3.45Å; R998-E1002 WeakPolarHBondContact O-CB 3.49Å; R998-E1002 WeakPolarHBondContact O-CG 3.28Å; R998-E1002 PolarHBondContact O-N 2.74Å
999	E	86.8	Confident	86.5	Confident	85 Å²	85	48.1 Å²	48.1	40%	0.397	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-40.9	176.9	-176	176.6	171.1	0	0	112.8	K995 K996 E1002 K1003	K995-E999 PolarHBondContact O-N 3.16Å; K996-E999 PolarHBondContact O-N 3.35Å; E999-E1002 PolarHBondContact O-N 2.92Å; E999-K1003 HydrophobicContact CG-CD 4.39Å; E999-K1003 WeakPolarHBondContact O-CG 3.3Å; E999-K1003 PolarHBondContact O-N 3.48Å; E999-K1003 VanDerWaalsContact O-N 3.1Å; E999-K1003 WeakPolarHBondContact OE1-CE 3.5Å; E999-K1003 IonicContact OE1-NZ 2.8Å; E999-K1003 PolarHBondContact OE1-NZ 3.32Å
1000	I	86.1	Confident	86.4	Confident	5 Å²	5	44 Å²	44	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-60.5	-47.5	173.3	-70.6	159.6	0	0	0	110.4	V329 L330 Y333 F622 K996 V997 K1003 L1004	V329-I1000 HydrophobicContact CG1-CG1 3.78Å; L330-I1000 HydrophobicContact CD2-CG2 3.8Å; Y333-I1000 HydrophobicContact CD1-CD1 3.92Å; Y333-I1000 HydrophobicContact CD2-CD1 3.49Å; Y333-I1000 VanDerWaalsContact CD2-CD1 3.49Å; Y333-I1000 HydrophobicContact CE1-CD1 4.41Å; Y333-I1000 HydrophobicContact CE2-CD1 4.03Å; Y333-I1000 HydrophobicContact CG-CD1 3.43Å; Y333-I1000 VanDerWaalsContact CG-CD1 3.43Å; F622-I1000 HydrophobicContact CD1-CG2 3.89Å; F622-I1000 HydrophobicContact CD2-CG2 3.96Å; F622-I1000 HydrophobicContact CE1-CD1 4.2Å; F622-I1000 HydrophobicContact CE1-CG2 3.96Å; F622-I1000 HydrophobicContact CE2-CG2 4.04Å; F622-I1000 HydrophobicContact CG-CG2 3.91Å; F622-I1000 HydrophobicContact CZ-CG2 4.04Å; K996-I1000 WeakPolarHBondContact O-CD1 3.2Å; K996-I1000 VanDerWaalsContact O-CG1 3.27Å; K996-I1000 WeakPolarHBondContact O-CG1 3.23Å; K996-I1000 PolarHBondContact O-N 3.23Å; V997-I1000 PolarHBondContact O-N 3.22Å; I1000-K1003 PolarHBondContact O-N 3.19Å; I1000-L1004 HydrophobicContact CG2-CD1 3.77Å; I1000-L1004 HydrophobicContact CG2-CG 4.49Å; I1000-L1004 WeakPolarHBondContact O-CB 3.3Å; I1000-L1004 WeakPolarHBondContact O-CG 3.22Å; I1000-L1004 PolarHBondContact O-N 3Å
1001	Q	86.2	Confident	86.3	Confident	26 Å²	26	43.9 Å²	43.9	12%	0.121	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-44.5	179.6	-165.9	-144.8	-38.2	0	0	111.6	K623 V997 R998 K1003 L1004 D1005	K623-Q1001 HydrophobicContact CG-CG 3.92Å; V997-Q1001 WeakPolarHBondContact O-CB 3.23Å; V997-Q1001 PolarHBondContact O-N 3.42Å; R998-Q1001 PolarHBondContact O-N 2.89Å; Q1001-K1003 VanDerWaalsContact C-N 3.32Å; Q1001-K1003 PolarHBondContact O-N 2.87Å; Q1001-L1004 PolarHBondContact O-N 3Å; Q1001-D1005 PolarHBondContact NE2-OD2 2.91Å; Q1001-D1005 WeakPolarHBondContact O-CB 3.4Å; Q1001-D1005 PolarHBondContact O-N 3.45Å
1002	E	87.8	Confident	86.1	Confident	116 Å²	116	48 Å²	48	54%	0.542	24%	0.235	S	C	.	.	H	α-helix	trans	-62.3	-37.6	178.7	-75.9	172.6	-161.7	0	0	112.2	R998 E999 A1006	R998-E1002 VanDerWaalsContact CG-OE1 3.3Å; R998-E1002 WeakPolarHBondContact CG-OE1 3.45Å; R998-E1002 WeakPolarHBondContact O-CB 3.49Å; R998-E1002 WeakPolarHBondContact O-CG 3.28Å; R998-E1002 PolarHBondContact O-N 2.74Å; E999-E1002 PolarHBondContact O-N 2.92Å; E1002-A1006 WeakPolarHBondContact O-CB 3.32Å; E1002-A1006 PolarHBondContact O-N 3.32Å; E1002-A1006 VanDerWaalsContact O-N 3.08Å
1003	K	86.2	Confident	85.9	Confident	62 Å²	62	52.8 Å²	52.8	27%	0.27	26%	0.257	S	S	.	.	H	α-helix	trans	-70.7	-39.3	174	-69	174.5	-171	172.7	0	112.5	V326 V329 E999 I1000 Q1001 F1007	V326-K1003 HydrophobicContact CG2-CB 4.04Å; V329-K1003 HydrophobicContact CG1-CD 4.46Å; V329-K1003 HydrophobicContact CG2-CD 3.93Å; E999-K1003 HydrophobicContact CG-CD 4.39Å; E999-K1003 WeakPolarHBondContact O-CG 3.3Å; E999-K1003 PolarHBondContact O-N 3.48Å; E999-K1003 VanDerWaalsContact O-N 3.1Å; E999-K1003 WeakPolarHBondContact OE1-CE 3.5Å; E999-K1003 IonicContact OE1-NZ 2.8Å; E999-K1003 PolarHBondContact OE1-NZ 3.32Å; I1000-K1003 PolarHBondContact O-N 3.19Å; Q1001-K1003 VanDerWaalsContact C-N 3.32Å; Q1001-K1003 PolarHBondContact O-N 2.87Å; K1003-F1007 WeakPolarHBondContact O-CB 3.43Å; K1003-F1007 PolarHBondContact O-N 3.41Å
1004	L	85.9	Confident	85.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-50	175.3	-79	167.4	0	0	0	112.1	V326 V615 A619 F622 I1000 Q1001 A1006 F1007 I1008	V326-L1004 HydrophobicContact CG1-CD2 3.56Å; V326-L1004 HydrophobicContact CG1-CG 4.21Å; V326-L1004 HydrophobicContact CG2-CD2 4.48Å; V615-L1004 HydrophobicContact CG1-CD2 4.15Å; A619-L1004 HydrophobicContact CB-CB 4.29Å; F622-L1004 HydrophobicContact CD2-CD1 3.74Å; F622-L1004 HydrophobicContact CE2-CD1 4.39Å; F622-L1004 HydrophobicContact CG-CD1 4.38Å; I1000-L1004 HydrophobicContact CG2-CD1 3.77Å; I1000-L1004 HydrophobicContact CG2-CG 4.49Å; I1000-L1004 WeakPolarHBondContact O-CB 3.3Å; I1000-L1004 WeakPolarHBondContact O-CG 3.22Å; I1000-L1004 PolarHBondContact O-N 3Å; Q1001-L1004 PolarHBondContact O-N 3Å; L1004-A1006 PolarHBondContact O-N 3.14Å; L1004-F1007 PolarHBondContact O-N 3.46Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.45Å; L1004-I1008 PolarHBondContact O-N 2.86Å
1005	D	86.7	Confident	83.6	Confident	46 Å²	46	63.9 Å²	63.9	25%	0.246	30%	0.304	C	S	.	.	H	α-helix	trans	-65.6	-38.8	-179.6	-77.9	-34.5	0	0	0	111.5	K623 Q1001 F1007 I1008 E1009	K623-D1005 WeakPolarHBondContact CE-OD1 3.35Å; K623-D1005 WeakPolarHBondContact CE-OD2 3.4Å; K623-D1005 IonicContact NZ-OD1 3.44Å; K623-D1005 PolarHBondContact NZ-OD1 2.85Å; K623-D1005 IonicContact NZ-OD2 3.78Å; Q1001-D1005 PolarHBondContact NE2-OD2 2.91Å; Q1001-D1005 WeakPolarHBondContact O-CB 3.4Å; Q1001-D1005 PolarHBondContact O-N 3.45Å; D1005-F1007 VanDerWaalsContact C-N 3.34Å; D1005-F1007 PolarHBondContact O-N 3.17Å; D1005-I1008 PolarHBondContact O-N 3.44Å; D1005-E1009 WeakPolarHBondContact O-CB 3.24Å; D1005-E1009 PolarHBondContact O-N 3.48Å
1006	A	87.1	Confident	83.5	Confident	51 Å²	51	62.3 Å²	62.3	42%	0.421	30%	0.299	S	S	.	.	H	α-helix	trans	-65.3	-35.1	173.5	0	0	0	0	0	113	E1002 L1004 A1010	E1002-A1006 WeakPolarHBondContact O-CB 3.32Å; E1002-A1006 PolarHBondContact O-N 3.32Å; E1002-A1006 VanDerWaalsContact O-N 3.08Å; L1004-A1006 PolarHBondContact O-N 3.14Å; A1006-A1010 WeakPolarHBondContact O-CB 3.23Å; A1006-A1010 PolarHBondContact O-N 3.04Å; A1006-A1010 VanDerWaalsContact O-N 3.07Å
1007	F	86.6	Confident	83.4	Confident	1 Å²	1	60.9 Å²	60.9	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-70.1	-40	173.6	170.6	-105.1	0	0	0	112	L319 M322 Y323 V326 W608 V611 V615 K1003 L1004 D1005 A1010 L1011	L319-F1007 HydrophobicContact CB-CE2 4.36Å; L319-F1007 HydrophobicContact CD2-CD2 3.74Å; L319-F1007 HydrophobicContact CD2-CE2 3.58Å; L319-F1007 VanDerWaalsContact O-CE2 3.25Å; L319-F1007 WeakPolarHBondContact O-CE2 3.27Å; M322-F1007 HydrophobicContact CB-CD2 3.88Å; Y323-F1007 AromaticContact CD2-CE1 3.98Å; Y323-F1007 HydrophobicContact CD2-CE1 3.98Å; Y323-F1007 HydrophobicContact CD2-CE2 4.44Å; Y323-F1007 AromaticContact CD2-CZ 3.75Å; Y323-F1007 HydrophobicContact CD2-CZ 3.75Å; Y323-F1007 HydrophobicContact CG-CZ 4.27Å; V326-F1007 HydrophobicContact CG2-CB 4.45Å; W608-F1007 HydrophobicContact CH2-CE2 4.44Å; W608-F1007 HydrophobicContact CH2-CZ 4.39Å; W608-F1007 HydrophobicContact CZ3-CE2 4.32Å; W608-F1007 AromaticContact CZ3-CZ 3.94Å; W608-F1007 HydrophobicContact CZ3-CZ 3.94Å; V611-F1007 HydrophobicContact CG1-CE1 4.16Å; V611-F1007 HydrophobicContact CG1-CZ 4.01Å; V615-F1007 HydrophobicContact CB-CE1 4.41Å; V615-F1007 HydrophobicContact CG1-CD1 3.85Å; V615-F1007 HydrophobicContact CG1-CE1 3.92Å; V615-F1007 HydrophobicContact CG2-CE1 4.02Å; K1003-F1007 WeakPolarHBondContact O-CB 3.43Å; K1003-F1007 PolarHBondContact O-N 3.41Å; L1004-F1007 PolarHBondContact O-N 3.46Å; D1005-F1007 VanDerWaalsContact C-N 3.34Å; D1005-F1007 PolarHBondContact O-N 3.17Å; F1007-A1010 PolarHBondContact O-N 2.95Å; F1007-L1011 HydrophobicContact CE1-CD1 4.19Å; F1007-L1011 HydrophobicContact CZ-CD1 4.01Å; F1007-L1011 VanDerWaalsContact O-CB 3.26Å; F1007-L1011 WeakPolarHBondContact O-CB 3.41Å; F1007-L1011 PolarHBondContact O-N 3.33Å
1008	I	86.6	Confident	83.2	Confident	28 Å²	28	64.3 Å²	64.3	14%	0.144	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-44.6	173.2	-69.3	165.3	0	0	0	110.7	V615 A619 L1004 D1005 A1010 L1011 H1012	V615-I1008 HydrophobicContact CG1-CD1 3.99Å; V615-I1008 HydrophobicContact CG1-CG1 3.68Å; A619-I1008 HydrophobicContact CB-CD1 3.53Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.45Å; L1004-I1008 PolarHBondContact O-N 2.86Å; D1005-I1008 PolarHBondContact O-N 3.44Å; I1008-A1010 PolarHBondContact O-N 2.85Å; I1008-L1011 PolarHBondContact O-N 3.02Å; I1008-H1012 PolarHBondContact O-CD2 2.7Å; I1008-H1012 PolarHBondContact O-N 3.02Å
1009	E	86.9	Confident	82.9	Confident	121 Å²	121	64.6 Å²	64.6	57%	0.565	32%	0.316	S	S	*	.	H	α-helix	trans	-59.2	-49	176.9	-163.7	-161.1	154.1	0	0	110.9	D1005 L1011 H1012 Q1013	D1005-E1009 WeakPolarHBondContact O-CB 3.24Å; D1005-E1009 PolarHBondContact O-N 3.48Å; E1009-L1011 VanDerWaalsContact C-N 3.31Å; E1009-L1011 PolarHBondContact O-N 2.75Å; E1009-H1012 PolarHBondContact O-N 3.21Å; E1009-H1012 VanDerWaalsContact O-N 3.16Å; E1009-Q1013 WeakPolarHBondContact O-CG 3.42Å; E1009-Q1013 PolarHBondContact O-N 2.84Å; E1009-Q1013 PolarHBondContact OE1-NE2 2.91Å
1010	A	85.5	Confident	82.7	Confident	23 Å²	23	63.3 Å²	63.3	19%	0.19	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-35.5	177	0	0	0	0	0	112.8	L319 M322 A1006 F1007 I1008 H1012 Q1013 E1014	L319-A1010 HydrophobicContact CD2-CB 3.81Å; M322-A1010 HydrophobicContact CE-CB 3.56Å; M322-A1010 HydrophobicContact SD-CB 4.48Å; A1006-A1010 WeakPolarHBondContact O-CB 3.23Å; A1006-A1010 PolarHBondContact O-N 3.04Å; A1006-A1010 VanDerWaalsContact O-N 3.07Å; F1007-A1010 PolarHBondContact O-N 2.95Å; I1008-A1010 PolarHBondContact O-N 2.85Å; A1010-H1012 VanDerWaalsContact C-N 3.32Å; A1010-Q1013 PolarHBondContact O-N 3.09Å; A1010-E1014 PolarHBondContact O-N 3.22Å
1011	L	83.5	Confident	82.5	Confident	13 Å²	13	67.2 Å²	67.2	7%	0.068	33%	0.33	C	S	.	.	H	α-helix	trans	-68.9	-32.8	176.2	-175.3	150.8	0	0	0	111.4	L319 W608 R612 F1007 I1008 E1009 E1014	L319-L1011 HydrophobicContact CD2-CB 4.03Å; W608-L1011 HydrophobicContact CE3-CD1 4.38Å; W608-L1011 HydrophobicContact CZ3-CD1 4.19Å; R612-L1011 HydrophobicContact CG-CD1 3.85Å; R612-L1011 HydrophobicContact CG-CD2 3.69Å; R612-L1011 HydrophobicContact CG-CG 4.35Å; F1007-L1011 HydrophobicContact CE1-CD1 4.19Å; F1007-L1011 HydrophobicContact CZ-CD1 4.01Å; F1007-L1011 VanDerWaalsContact O-CB 3.26Å; F1007-L1011 WeakPolarHBondContact O-CB 3.41Å; F1007-L1011 PolarHBondContact O-N 3.33Å; I1008-L1011 PolarHBondContact O-N 3.02Å; E1009-L1011 VanDerWaalsContact C-N 3.31Å; E1009-L1011 PolarHBondContact O-N 2.75Å; L1011-E1014 PolarHBondContact O-N 3.22Å
1012	H	82.4	Confident	82.2	Confident	90 Å²	90	70.1 Å²	70.1	42%	0.417	34%	0.344	S	S	.	.	H	α-helix	trans	-73.5	-27.8	173.6	-82.8	-136.4	0	0	0	112.5	E616 I1008 E1009 A1010 E1014 K1015	E616-H1012 IonicContact OE1-NE2 3.98Å; I1008-H1012 PolarHBondContact O-CD2 2.7Å; I1008-H1012 PolarHBondContact O-N 3.02Å; E1009-H1012 PolarHBondContact O-N 3.21Å; E1009-H1012 VanDerWaalsContact O-N 3.16Å; A1010-H1012 VanDerWaalsContact C-N 3.32Å; H1012-E1014 VanDerWaalsContact C-N 3.28Å; H1012-E1014 PolarHBondContact O-N 2.91Å; H1012-K1015 PolarHBondContact NE2-NZ 3.02Å
1013	Q	80.8	Confident	81.8	Confident	140 Å²	140	66.6 Å²	66.6	65%	0.654	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-7	174.2	-68.5	174.2	22.8	0	0	114.2	E1009 A1010	E1009-Q1013 WeakPolarHBondContact O-CG 3.42Å; E1009-Q1013 PolarHBondContact O-N 2.84Å; E1009-Q1013 PolarHBondContact OE1-NE2 2.91Å; A1010-Q1013 PolarHBondContact O-N 3.09Å
1014	E	69.9	Low	81.4	Confident	109 Å²	109	67 Å²	67	51%	0.509	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	3.3	174.7	-158.9	175.9	-131.5	0	0	113.1	L319 R448 A1010 L1011 H1012	L319-E1014 HydrophobicContact CD1-CB 3.94Å; L319-E1014 VanDerWaalsContact CD1-CD 3.49Å; L319-E1014 HydrophobicContact CD1-CG 4.28Å; L319-E1014 WeakPolarHBondContact CD1-OE2 3.46Å; R448-E1014 IonicContact CZ-OE1 3.87Å; R448-E1014 VanDerWaalsContact CZ-OE1 3.26Å; R448-E1014 IonicContact CZ-OE2 2.76Å; R448-E1014 VanDerWaalsContact NH1-CD 3.32Å; R448-E1014 IonicContact NH1-OE1 3.46Å; R448-E1014 PolarHBondContact NH1-OE1 3.17Å; R448-E1014 IonicContact NH1-OE2 2.7Å; R448-E1014 PolarHBondContact NH1-OE2 3.31Å; R448-E1014 IonicContact NH2-OE1 2.62Å; R448-E1014 PolarHBondContact NH2-OE1 3.04Å; R448-E1014 IonicContact NH2-OE2 2.73Å; R448-E1014 PolarHBondContact NH2-OE2 3.36Å; A1010-E1014 PolarHBondContact O-N 3.22Å; L1011-E1014 PolarHBondContact O-N 3.22Å; H1012-E1014 VanDerWaalsContact C-N 3.28Å; H1012-E1014 PolarHBondContact O-N 2.91Å
1015	K	55	Low	81	Confident	182 Å²	182	73.1 Å²	73.1	79%	0.791	37%	0.365	S	S	*	.			trans	-90.4	0	174	-70.9	174.2	-179.1	163.2	0	112	H1012	H1012-K1015 PolarHBondContact NE2-NZ 3.02Å

Retrieved 1,015 of 1,015 residues in 557.9 ms (Link to these results)

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