A0A087XTB6_POEFO Loading...

Anoctamin

AlphaFold DB , UniProt , Accession A0A087XTB6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 989 aa.

						>A0A087XTB6_POEFO|A0A087XTB6
MEQQEEQEVGGLSHHGSSQDLGSPPISSFEPGESSQQEEGTVMRRSENYLPVPGEDKNLDGDFNGKTRNDESMPMKTLYASDGSLLHLPHGPYFSDGQRRVDYVLTYGIQKPSAVRRQSSKLSDNGFFHRLRRSLSSRSSRAPLQPKEDPEVAATEQQANYHEDDKRFKREEFEQNLQEMGLELEKDEGGKIAGIGFLKIHAPWAVLCREAEIMKLKMPTKQVYEVKQGSNLVEKIRLFIHKVTDPLHPKVGPKRPEDVKSLSLPFSKEKQHLFDLSDRDKFFDSKTRSSIVYEVLKRIRWTRPNYSLGITSLLANGVYTSAYPLHDGDIDGVTAEPNDRKLLFEEWASYSVFYKYQPIGLIRKYFGEKVGLYFAWLGVYTQMLIPAAIVGVIVFLYGCATVDDNIPSMEICDPRNNITMCPLCDSACSYWKLETACGTARASHLFDNPATVFFSIFMALWAVLFMEHWKRRQMRLNYVWDLTDYGMEEEEHYKDHNRAEYELRVAEKTMRQDQGAAKDEKVKLTCTDRMPAYLTTVVMMSFMIFITFVIAFGVILYRISIKTALHLSTYPAARSNIRATVKTTAAIINVIVIIILDEIYASIARWLTTLEVPKTDKSFEERLIFKTFILKFVNAFTPIVYLAFFRGRLVGRPGKYLYVVGSYRMEECAHAGCLMELCIQLCITMLGKQLIQNNLFEIGIPKLKKLLRKRKSELTSKQEEELHKTLKRYEKDHVLGPFVGINPEYMEMIIQFGMVTLFVASFPLAPLFALLNNIIEIRLDAKKFVLELRRPIAAKVKDIGIWYNLLRGLSKVAVIVNAFVIAFTSDFVPRLVYQYTYSPDGTMHGFVNHTLSYFNVSDFQNGTEPNPPNFNVKVCRYKDYREPPWSNTPYELSKEFWAILAVRLAFVIVFQNMVMLMSDFVDWLIPDIPKDISFQIHKEKLLMLDHFMKEEGRRRDNHNHDGYTSPSSGSASPHSRPTFHARAGCKMWE
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	31.7	Very low	218 Å²	218	145 Å²	145	100%	1.074	78%	0.779	S	S	*	*				0	72.5	0	-59.1	-177	-131.1	0	0	106.9
2	E	29.9	Very low	31.4	Very low	163 Å²	163	148.3 Å²	148.3	76%	0.762	79%	0.794	S	S	*	*				74.8	137.5	51	-65.5	151.9	126.4	0	0	111.6
3	Q	33.5	Very low	31.2	Very low	152 Å²	152	143.5 Å²	143.5	71%	0.71	78%	0.78	S	S	*	*			cis	-161.7	172.9	-0.9	-94.3	159	-78	0	0	106
4	Q	36.9	Very low	31.2	Very low	136 Å²	136	143.7 Å²	143.7	64%	0.636	77%	0.772	S	S	*	*			cis	-174.8	163.1	-15.8	-98.3	179.8	-79.4	0	0	105
5	E	38.9	Very low	31.2	Very low	136 Å²	136	145.9 Å²	145.9	64%	0.636	78%	0.775	S	S	*	*			cis	-139	-148.7	-16.5	-145.3	74.7	-76.4	0	0	105.7
6	E	33	Very low	31	Very low	173 Å²	173	141.2 Å²	141.2	81%	0.808	77%	0.772	S	S	*	*			cis	-127.2	179.9	2.3	-69.1	179.3	81	0	0	107.6
7	Q	33	Very low	30.8	Very low	163 Å²	163	139.6 Å²	139.6	76%	0.762	77%	0.774	S	S	*	*			cis	73.2	142.7	27.6	-73.1	179.1	-24.9	0	0	115.5
8	E	30.2	Very low	30.7	Very low	165 Å²	165	137.5 Å²	137.5	77%	0.771	77%	0.77	S	S	*	*			cis	-129.8	160.3	2.7	-88.6	-150.8	108.7	0	0	114.8
9	V	30.3	Very low	30.7	Very low	135 Å²	135	139.4 Å²	139.4	82%	0.818	77%	0.772	S	S	*	*			trans	29.4	135.5	145.2	-174.5	0	0	0	0	120.1
10	G	26.4	Very low	30.6	Very low	80 Å²	80	138.4 Å²	138.4	83%	0.825	77%	0.766	S	S	*	*			cis	167.1	-178.2	7.5	0	0	0	0	0	108.9
11	G	27.7	Very low	30.5	Very low	74 Å²	74	140.2 Å²	140.2	76%	0.763	77%	0.773	S	S	*	*			cis	175.4	-170	-1.3	0	0	0	0	0	111.9
12	L	27.2	Very low	30.4	Very low	185 Å²	185	133 Å²	133	97%	0.969	76%	0.755	S	S	*	*			trans	74.3	157.6	175.6	-82	114.8	0	0	0	121.3
13	S	29.7	Very low	30.3	Very low	86 Å²	86	131 Å²	131	60%	0.601	76%	0.759	S	S	*	*			trans	-125.5	-177.9	-154.9	43.8	0	0	0	0	112.5
14	H	31.3	Very low	30.9	Very low	146 Å²	146	129.4 Å²	129.4	68%	0.676	76%	0.762	S	S	*	*			cis	-161.8	157.3	35.6	-99.6	-77.1	0	0	0	114.1
15	H	31.1	Very low	31.6	Very low	176 Å²	176	127.9 Å²	127.9	82%	0.815	76%	0.764	S	S	*	*			trans	51.1	153.2	148.8	-61.7	-50.2	0	0	0	122
16	G	28	Very low	31.2	Very low	71 Å²	71	129.6 Å²	129.6	73%	0.732	78%	0.775	S	S	*	*			cis	-176.7	160.6	-2.9	0	0	0	0	0	115
17	S	27.8	Very low	30.8	Very low	114 Å²	114	126.6 Å²	126.6	80%	0.797	77%	0.773	S	S	*	*			trans	-73.9	174.2	176.6	45.6	0	0	0	0	114.7
18	S	27.9	Very low	30.4	Very low	102 Å²	102	124 Å²	124	71%	0.713	77%	0.773	S	S	*	*			cis	178.3	-177.7	-19.6	-79.7	0	0	0	0	107.7
19	Q	31.2	Very low	30.2	Very low	173 Å²	173	126.2 Å²	126.2	81%	0.808	78%	0.781	S	S	*	*			trans	72.6	157.9	159.1	-57.8	-165.9	-89.8	0	0	117.5
20	D	28.8	Very low	30.1	Very low	120 Å²	120	128.2 Å²	128.2	64%	0.642	78%	0.781	S	S	*	*			cis	-164.5	-179.2	-25.9	-108.1	-36.2	0	0	0	110.9
21	L	28.4	Very low	30.8	Very low	176 Å²	176	130.2 Å²	130.2	92%	0.921	78%	0.78	S	S	*	*			trans	80.4	147	157.2	-69	132.5	0	0	0	120
22	G	26.3	Very low	30.7	Very low	66 Å²	66	130.4 Å²	130.4	68%	0.68	78%	0.782	S	S	*	*			trans	-163.1	168.4	167.1	0	0	0	0	0	110.7
23	S	28.4	Very low	30.5	Very low	123 Å²	123	131.1 Å²	131.1	86%	0.86	78%	0.78	S	S	*	*			trans	-164.8	160.3	169.8	-82.9	0	0	0	0	112.6
24	P	45.7	Very low	30.1	Very low	117 Å²	117	133 Å²	133	76%	0.76	79%	0.794	S	S	*	*			trans	-118.6	-150.1	-175.3	46.3	-32.9	0	0	0	110.7
25	P	52.8	Low	29.7	Very low	105 Å²	105	131.8 Å²	131.8	68%	0.682	80%	0.801	S	S	*	*			cis	-122.2	-174.3	-37.8	32.7	-14.9	0	0	0	111.9
26	I	29	Very low	29.4	Very low	171 Å²	171	132.2 Å²	132.2	88%	0.877	80%	0.803	S	S	*	*				173.8	155.4	128.9	-89.6	160.1	0	0	0	111
27	S	26.1	Very low	29.1	Very low	110 Å²	110	137.5 Å²	137.5	77%	0.769	81%	0.809	S	S	*	*			trans	-120.2	148.5	-163.7	58.6	0	0	0	0	114.8
28	S	24.8	Very low	28.9	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	81%	0.814	S	S	*	*			trans	-163.6	120.7	155.2	52.1	0	0	0	0	115.2
29	F	25.4	Very low	28.8	Very low	213 Å²	213	145.4 Å²	145.4	93%	0.934	82%	0.822	S	S	*	*			trans	61.3	133.5	152	-74.5	-91.5	0	0	0	123
30	E	29	Very low	28.4	Very low	177 Å²	177	140.3 Å²	140.3	83%	0.827	82%	0.816	S	S	*	*			trans	-109.1	-177	165	-111.8	-171.2	-162	0	0	108.9
31	P	40.7	Very low	28.1	Very low	122 Å²	122	141.2 Å²	141.2	79%	0.792	83%	0.826	S	S	*	*			cis	-130.5	-179.6	2.9	41.2	-25.2	0	0	0	115
32	G	24.2	Very low	27.9	Very low	78 Å²	78	139 Å²	139	80%	0.804	82%	0.82	S	S	*	*			trans	148.8	96.7	158	0	0	0	0	0	117.2
33	E	24.6	Very low	27.7	Very low	199 Å²	199	145 Å²	145	93%	0.93	83%	0.832	S	S	*	*			trans	-46.9	140.2	-177.1	-56.1	174.5	120.5	0	0	118.5
34	S	21.3	Very low	27.5	Very low	127 Å²	127	150.9 Å²	150.9	89%	0.888	84%	0.836	S	S	*	*			trans	-161.4	158.2	134.4	55.4	0	0	0	0	110.1
35	S	22.7	Very low	26.4	Very low	120 Å²	120	155 Å²	155	84%	0.839	84%	0.836	S	S	*	*			trans	-128.7	140.1	-167.6	49.6	0	0	0	0	114.9
36	Q	23.5	Very low	25	Very low	184 Å²	184	155.7 Å²	155.7	86%	0.86	84%	0.844	S	S	*	*			trans	-124.5	140.8	169.5	-69.1	175.1	-12.4	0	0	106.5
37	Q	22.5	Very low	24.8	Very low	183 Å²	183	153.3 Å²	153.3	86%	0.855	83%	0.829	S	S	*	*			cis	77.7	111.1	43.8	-168.8	177.4	3.7	0	0	112.5
38	E	24.6	Very low	24.7	Very low	193 Å²	193	155.4 Å²	155.4	90%	0.902	83%	0.831	S	S	*	*			trans	-146.1	150.6	175.4	-152.3	173.5	-144.5	0	0	110.3
39	E	24.7	Very low	24.7	Very low	188 Å²	188	161.4 Å²	161.4	88%	0.879	84%	0.839	S	S	*	*			trans	-102.1	165.2	-176	-61.2	-179.7	124.3	0	0	110.9
40	G	22.7	Very low	24.8	Very low	66 Å²	66	159.1 Å²	159.1	68%	0.68	84%	0.836	S	S	*	*			cis	132.4	75.9	-1.8	0	0	0	0	0	113.1
41	T	22.8	Very low	24.6	Very low	139 Å²	139	156.3 Å²	156.3	85%	0.853	83%	0.833	S	S	*	*			trans	-133.5	89.3	176.5	-14	0	0	0	0	114.6
42	V	23.9	Very low	24	Very low	131 Å²	131	157 Å²	157	79%	0.794	84%	0.835	S	S	*	*			trans	27.4	123.5	142.9	-171.8	0	0	0	0	119.6
43	M	22.3	Very low	24.1	Very low	190 Å²	190	159 Å²	159	94%	0.936	83%	0.834	S	S	*	*			trans	-125.3	154.3	138.4	-140.9	-169.3	-67.5	0	0	110.5
44	R	24.5	Very low	24.2	Very low	247 Å²	247	153.4 Å²	153.4	93%	0.932	83%	0.829	S	S	*	*			trans	-74.9	136.1	-160.5	-121	175.7	-178	160.9	-0.6	114
45	R	23.1	Very low	24.5	Very low	203 Å²	203	157 Å²	157	77%	0.766	83%	0.832	S	S	*	*			trans	-80.2	149.9	172.1	-161	179.7	-166.4	-166.2	-0.8	110.8	E47	R45-E47 WeakPolarHBondContact CD-OE1 3.24Å; R45-E47 HydrophobicContact CG-CG 3.89Å; R45-E47 IonicContact CZ-OE1 3.16Å; R45-E47 IonicContact NE-OE1 2.77Å; R45-E47 PolarHBondContact NE-OE1 3.27Å; R45-E47 IonicContact NH1-OE1 2.76Å; R45-E47 PolarHBondContact NH1-OE1 3.48Å; R45-E47 IonicContact NH2-OE1 2.7Å
46	S	23.2	Very low	24.7	Very low	121 Å²	121	159.1 Å²	159.1	85%	0.846	83%	0.834	S	S	*	*			trans	-125.9	141.4	151.4	-170.6	0	0	0	0	107.1
47	E	24.2	Very low	25	Very low	120 Å²	120	158.9 Å²	158.9	56%	0.561	83%	0.83	S	S	*	*			trans	-113.3	143	-165.1	-61.3	-177.4	137.9	0	0	111.3	R45	R45-E47 WeakPolarHBondContact CD-OE1 3.24Å; R45-E47 HydrophobicContact CG-CG 3.89Å; R45-E47 IonicContact CZ-OE1 3.16Å; R45-E47 IonicContact NE-OE1 2.77Å; R45-E47 PolarHBondContact NE-OE1 3.27Å; R45-E47 IonicContact NH1-OE1 2.76Å; R45-E47 PolarHBondContact NH1-OE1 3.48Å; R45-E47 IonicContact NH2-OE1 2.7Å
48	N	23.7	Very low	25.1	Very low	154 Å²	154	156.8 Å²	156.8	82%	0.824	82%	0.824	S	S	*	*			trans	169.1	88.7	136.2	-86.5	-27.7	0	0	0	110.8
49	Y	25.1	Very low	25.2	Very low	234 Å²	234	154.1 Å²	154.1	92%	0.918	82%	0.816	S	S	*	*			trans	-143.2	117.7	155.4	-97.6	-83.5	0	0	0	107.4
50	L	27.3	Very low	25.3	Very low	166 Å²	166	152.5 Å²	152.5	87%	0.869	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-89.4	140.1	170.7	-73.1	167.6	0	0	0	109.2
51	P	25.9	Very low	25.4	Very low	117 Å²	117	153.3 Å²	153.3	76%	0.76	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-77.5	147.1	177.2	32.3	-34.3	0	0	0	111.5
52	V	26.8	Very low	25.4	Very low	138 Å²	138	153.4 Å²	153.4	84%	0.836	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-85.7	128.8	167.9	-179.6	0	0	0	0	108.4
53	P	27.9	Very low	25.5	Very low	120 Å²	120	155.6 Å²	155.6	78%	0.779	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-67	147.7	172.9	-18.2	31.9	0	0	0	111.9
54	G	25.9	Very low	25.6	Very low	80 Å²	80	153.6 Å²	153.6	83%	0.825	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-83.6	152.7	169	0	0	0	0	0	111.9
55	E	27.5	Very low	25.6	Very low	204 Å²	204	144.9 Å²	144.9	95%	0.953	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-89.3	137.7	171.7	-65.4	-177.9	131.8	0	0	111.1
56	D	26.3	Very low	25.6	Very low	164 Å²	164	145.3 Å²	145.3	88%	0.877	80%	0.803	S	S	*	*			trans	-117	163.7	164.8	-124.5	-39.4	0	0	0	109.6
57	K	30.3	Very low	25.8	Very low	179 Å²	179	146.2 Å²	146.2	78%	0.778	80%	0.804	S	S	*	*			trans	-92.3	158.3	-156.5	-56.1	176.9	178.6	174.4	0	116.4
58	N	25	Very low	25.8	Very low	139 Å²	139	152.2 Å²	152.2	74%	0.743	82%	0.821	S	S	*	*			trans	115.2	128.5	133.6	-77.3	-13.9	0	0	0	120.6
59	L	26.9	Very low	25.8	Very low	137 Å²	137	151.6 Å²	151.6	72%	0.717	82%	0.818	S	S	*	*			trans	80.6	123.3	139.6	-66	163.9	0	0	0	122.2
60	D	25.6	Very low	25.7	Very low	153 Å²	153	148.7 Å²	148.7	82%	0.818	82%	0.818	S	S	*	*			trans	58.1	121.3	139.7	-52.9	-11.5	0	0	0	122.2
61	G	25.6	Very low	25.6	Very low	83 Å²	83	149.2 Å²	149.2	86%	0.856	82%	0.816	S	S	*	*			trans	179.6	137	169.2	0	0	0	0	0	110.9
62	D	23.2	Very low	25.6	Very low	142 Å²	142	149 Å²	149	76%	0.759	82%	0.818	S	S	*	*			trans	-116.4	161.5	-159.3	-155.3	0	0	0	0	115
63	F	25.1	Very low	25.5	Very low	176 Å²	176	151.4 Å²	151.4	77%	0.772	82%	0.822	S	S	*	*			trans	62.8	115.6	162.9	-92	-75.5	0	0	0	122.7
64	N	23.7	Very low	25.5	Very low	149 Å²	149	151 Å²	151	80%	0.797	82%	0.82	S	S	*	*				110.7	99	119.7	-151.6	10.4	0	0	0	120.7
65	G	25.6	Very low	25.8	Very low	63 Å²	63	156.5 Å²	156.5	65%	0.649	83%	0.826	S	S	*	*				78.6	87.1	116.9	0	0	0	0	0	120.6
66	K	23.3	Very low	25.9	Very low	212 Å²	212	155.8 Å²	155.8	92%	0.922	82%	0.82	S	S	*	*			trans	-158.3	125.2	135.8	-117.8	163.6	-171.3	169.3	0	113
67	T	27.8	Very low	25.9	Very low	141 Å²	141	155.1 Å²	155.1	87%	0.865	82%	0.822	S	S	*	*			trans	-72.5	140.9	168.5	38.1	0	0	0	0	110.9
68	R	23.7	Very low	26.1	Very low	245 Å²	245	153.2 Å²	153.2	93%	0.925	82%	0.82	S	S	*	*			trans	-147	136.6	161.9	-163.1	171	-174.2	169.5	1	108.5
69	N	23	Very low	26.3	Very low	142 Å²	142	155.5 Å²	155.5	76%	0.759	82%	0.819	S	S	*	*			trans	-77.2	135.7	-177.2	-55.8	-17.7	0	0	0	110.2	E71	N69-E71 PolarHBondContact O-N 3.22Å
70	D	23.6	Very low	26.7	Very low	173 Å²	173	151 Å²	151	93%	0.925	80%	0.802	S	S	*	*			trans	-79.1	103.4	159	-83.4	-37.5	0	0	0	108.8
71	E	25.6	Very low	27.2	Very low	176 Å²	176	149.8 Å²	149.8	82%	0.822	81%	0.805	S	S	*	*			trans	-77.7	124	168	-69.4	-172.8	128.1	0	0	109.8	N69 M73	N69-E71 PolarHBondContact O-N 3.22Å; E71-M73 PolarHBondContact O-N 2.99Å
72	S	26.1	Very low	27.6	Very low	113 Å²	113	153 Å²	153	79%	0.79	80%	0.803	S	S	*	*			trans	-64.8	106.9	175.8	56.6	0	0	0	0	111	P74	S72-P74 WeakPolarHBondContact O-CD 3.47Å
73	M	24.3	Very low	28	Very low	188 Å²	188	148.7 Å²	148.7	93%	0.926	79%	0.792	S	S	*	*			trans	-63	124.4	173.6	-81.2	-165.8	168.8	0	0	111	E71	E71-M73 PolarHBondContact O-N 2.99Å
74	P	27.6	Very low	28	Very low	113 Å²	113	143.9 Å²	143.9	73%	0.734	78%	0.78	S	S	*	*			trans	-80	131.8	-176.2	30.9	-34.1	0	0	0	112	S72 K76	S72-P74 WeakPolarHBondContact O-CD 3.47Å; P74-K76 VanDerWaalsContact C-N 3.33Å; P74-K76 PolarHBondContact O-N 3.35Å
75	M	31.3	Very low	28.2	Very low	195 Å²	195	143.5 Å²	143.5	96%	0.961	78%	0.777	S	S	*	*			trans	-73.9	79.9	177	-165.5	-177.9	-162.2	0	0	111.6
76	K	30.7	Very low	28.4	Very low	188 Å²	188	146.9 Å²	146.9	82%	0.817	78%	0.78	S	S	*	*			trans	-139.7	89.9	175.9	-82	-168.8	174.9	-179.6	0	113.6	P74	P74-K76 VanDerWaalsContact C-N 3.33Å; P74-K76 PolarHBondContact O-N 3.35Å
77	T	25.6	Very low	28.7	Very low	151 Å²	151	144.6 Å²	144.6	93%	0.926	77%	0.772	S	S	*	*			trans	-142.1	92.2	153.6	20.8	0	0	0	0	108.9
78	L	35.5	Very low	29.1	Very low	139 Å²	139	142.3 Å²	142.3	73%	0.728	75%	0.754	S	S	*	*			trans	-95.7	162.8	163.4	-82	162.3	0	0	0	108.9
79	Y	28.9	Very low	30	Very low	186 Å²	186	135.7 Å²	135.7	73%	0.729	74%	0.743	S	S	*	*			trans	75.4	130.5	-177.9	-50.9	-75.8	0	0	0	116.5
80	A	34.6	Very low	31.4	Very low	43 Å²	43	135.2 Å²	135.2	36%	0.355	74%	0.736	S	S	.	*			trans	-87.6	166.8	155.3	0	0	0	0	0	109.7	D82 G83 L86	A80-D82 PolarHBondContact O-N 2.98Å; A80-G83 PolarHBondContact O-N 3.35Å; A80-L86 HydrophobicContact CB-CD1 4.41Å
81	S	37.5	Very low	33	Very low	128 Å²	128	128.4 Å²	128.4	90%	0.895	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-21.9	-170.1	-163.9	0	0	0	0	115.9
82	D	33.5	Very low	35.2	Very low	150 Å²	150	120.7 Å²	120.7	80%	0.802	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	15.2	179.7	-67.5	-37.4	0	0	0	113.7	A80 S84	A80-D82 PolarHBondContact O-N 2.98Å; D82-S84 PolarHBondContact O-N 3.34Å
83	G	30.2	Very low	37.9	Very low	52 Å²	52	120.1 Å²	120.1	54%	0.536	65%	0.653	S	S	.	*	S	Bend	trans	68.7	0.1	174.7	0	0	0	0	0	116	A80	A80-G83 PolarHBondContact O-N 3.35Å
84	S	26.5	Very low	40.8	Very low	74 Å²	74	111.6 Å²	111.6	52%	0.517	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-75.7	143.5	175.1	51.3	0	0	0	0	111.9	D82 L86	D82-S84 PolarHBondContact O-N 3.34Å; S84-L86 PolarHBondContact O-N 2.98Å
85	L	27.2	Very low	43.2	Very low	141 Å²	141	110 Å²	110	74%	0.738	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-70.6	116.4	175.9	-93.7	163.4	0	0	0	110.3
86	L	29.2	Very low	45.5	Very low	135 Å²	135	103.6 Å²	103.6	71%	0.707	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-56.1	138.9	164.6	-90	162.5	0	0	0	109.8	A80 S84 L88	A80-L86 HydrophobicContact CB-CD1 4.41Å; S84-L86 PolarHBondContact O-N 2.98Å; L86-L88 PolarHBondContact O-N 2.91Å
87	H	31.6	Very low	47.6	Very low	164 Å²	164	96.4 Å²	96.4	76%	0.759	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-51.9	125.8	-171.1	-86	-99.6	0	0	0	112.9
88	L	35.8	Very low	50	Low	93 Å²	93	97.1 Å²	97.1	49%	0.487	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-59.3	150.1	169.6	-116.4	75.3	0	0	0	111.2	L86 H90 S95	L86-L88 PolarHBondContact O-N 2.91Å; L88-H90 PolarHBondContact O-ND1 3.35Å; L88-S95 WeakPolarHBondContact CD2-O 3.49Å
89	P	42.6	Very low	52.3	Low	105 Å²	105	95 Å²	95	68%	0.682	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-59.4	140.2	180	-22.3	33.4	0	0	0	111.8	G91	P89-G91 PolarHBondContact O-N 2.94Å
90	H	51.9	Low	54.9	Low	133 Å²	133	88.7 Å²	88.7	62%	0.616	50%	0.501	S	S	*	.			trans	-79.4	27.4	-179.6	-66	42.5	0	0	0	112.8	L88	L88-H90 PolarHBondContact O-ND1 3.35Å
91	G	56.7	Low	57.5	Low	29 Å²	29	87 Å²	87	30%	0.299	49%	0.486	S	S	.	.	S	Bend	trans	-87	177.7	-171.6	0	0	0	0	0	115	P89 Y93	P89-G91 PolarHBondContact O-N 2.94Å; G91-Y93 PolarHBondContact O-N 3.28Å
92	P	72.2	Confident	60	Low	15 Å²	15	80.9 Å²	80.9	10%	0.097	44%	0.443	C	S	.	.	S	Bend	trans	-82.3	45.5	-177.9	36.4	-38.2	0	0	0	113	V101	P92-V101 PolarHBondContact O-N 2.96Å
93	Y	81.7	Confident	62.7	Low	101 Å²	101	73.8 Å²	73.8	40%	0.396	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-118	164.8	-174.4	-62.8	-84	0	0	0	112.9	G91 R99 R100	G91-Y93 PolarHBondContact O-N 3.28Å; Y93-R99 CarbonylContact C-O 3.57Å; Y93-R99 VanDerWaalsContact CA-O 3.29Å; Y93-R99 WeakPolarHBondContact CA-O 3.39Å; Y93-R100 HydrophobicContact CD1-CB 4.34Å; Y93-R100 HydrophobicContact CE1-CB 4.27Å
94	F	85.3	Confident	65.7	Low	8 Å²	8	71.3 Å²	71.3	4%	0.035	38%	0.38	C	S	.	.			trans	-66.1	171.8	169.2	-84.2	36.6	0	0	0	110.5	D96 G97 R99 V101 E185 K199 H201	F94-D96 PolarHBondContact O-N 2.95Å; F94-G97 PolarHBondContact O-N 3Å; F94-R99 HydrophobicContact CB-CB 4.04Å; F94-R99 HydrophobicContact CD1-CB 4.27Å; F94-R99 WeakPolarHBondContact CD1-O 3.22Å; F94-R99 HydrophobicContact CD2-CB 4.15Å; F94-R99 HydrophobicContact CG-CB 3.9Å; F94-R99 PolarHBondContact N-O 3.43Å; F94-V101 HydrophobicContact CD1-CG2 3.68Å; F94-V101 HydrophobicContact CE1-CG2 3.94Å; F94-E185 VanDerWaalsContact CA-OE2 3.29Å; F94-E185 WeakPolarHBondContact CA-OE2 3.46Å; F94-E185 VanDerWaalsContact CB-OE2 3.3Å; F94-E185 WeakPolarHBondContact CB-OE2 3.47Å; F94-E185 HydrophobicContact CD2-CB 3.83Å; F94-E185 HydrophobicContact CD2-CG 4.46Å; F94-E185 WeakPolarHBondContact CD2-OE2 3.44Å; F94-E185 HydrophobicContact CE2-CB 3.61Å; F94-E185 HydrophobicContact CG-CB 4.46Å; F94-E185 VanDerWaalsContact CG-OE2 3.28Å; F94-E185 WeakPolarHBondContact CG-OE2 3.49Å; F94-E185 HydrophobicContact CZ-CB 4.06Å; F94-K199 HydrophobicContact CE1-CB 3.97Å; F94-K199 HydrophobicContact CZ-CB 4.34Å; F94-H201 HydrophobicContact CE1-CB 3.68Å; F94-H201 HydrophobicContact CE2-CB 4.21Å; F94-H201 HydrophobicContact CZ-CB 3.51Å
95	S	79.1	Confident	68.8	Low	80 Å²	80	67.8 Å²	67.8	56%	0.559	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-5.1	177.8	45.1	0	0	0	0	115.3	L88 E185	L88-S95 WeakPolarHBondContact CD2-O 3.49Å; S95-E185 VanDerWaalsContact CB-OE1 3.31Å; S95-E185 WeakPolarHBondContact CB-OE1 3.35Å; S95-E185 PolarHBondContact N-OE2 3.35Å; S95-E185 VanDerWaalsContact N-OE2 3.14Å; S95-E185 PolarHBondContact OG-OE1 2.79Å
96	D	79.8	Confident	71.7	Confident	61 Å²	61	61.1 Å²	61.1	33%	0.326	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-13.1	170.3	53.7	44.6	0	0	0	114.7	F94 Q98 R99	F94-D96 PolarHBondContact O-N 2.95Å; D96-Q98 PolarHBondContact O-N 3Å; D96-Q98 PolarHBondContact OD1-N 3.34Å; D96-R99 PolarHBondContact OD1-N 3.45Å; D96-R99 IonicContact OD2-CZ 2.81Å; D96-R99 IonicContact OD2-NE 3.9Å; D96-R99 PolarHBondContact OD2-NE 3.08Å; D96-R99 IonicContact OD2-NH2 2.86Å; D96-R99 PolarHBondContact OD2-NH2 3.38Å
97	G	73.6	Confident	74.6	Confident	36 Å²	36	55 Å²	55	37%	0.371	29%	0.287	S	S	.	.	S	Bend	trans	70.6	3.8	-175.5	0	0	0	0	0	115.7	F94	F94-G97 PolarHBondContact O-N 3Å
98	Q	77.3	Confident	77	Confident	167 Å²	167	48.7 Å²	48.7	78%	0.78	27%	0.267	S	S	*	.	S	Bend	trans	-105.9	-45.2	-179.6	-63.6	-175	-0.6	0	0	112.1	D96	D96-Q98 PolarHBondContact O-N 3Å; D96-Q98 PolarHBondContact OD1-N 3.34Å
99	R	83	Confident	78.9	Confident	94 Å²	94	46.1 Å²	46.1	36%	0.355	25%	0.253	S	S	.	.	S	Bend	trans	-86.9	122.7	-174.5	-71.7	177.1	-71.7	-179.9	-1.9	111.5	Y93 F94 D96 E183	Y93-R99 CarbonylContact C-O 3.57Å; Y93-R99 VanDerWaalsContact CA-O 3.29Å; Y93-R99 WeakPolarHBondContact CA-O 3.39Å; F94-R99 HydrophobicContact CB-CB 4.04Å; F94-R99 HydrophobicContact CD1-CB 4.27Å; F94-R99 WeakPolarHBondContact CD1-O 3.22Å; F94-R99 HydrophobicContact CD2-CB 4.15Å; F94-R99 HydrophobicContact CG-CB 3.9Å; F94-R99 PolarHBondContact N-O 3.43Å; D96-R99 PolarHBondContact OD1-N 3.45Å; D96-R99 IonicContact OD2-CZ 2.81Å; D96-R99 IonicContact OD2-NE 3.9Å; D96-R99 PolarHBondContact OD2-NE 3.08Å; D96-R99 IonicContact OD2-NH2 2.86Å; D96-R99 PolarHBondContact OD2-NH2 3.38Å; R99-E183 WeakPolarHBondContact CD-OE2 3.4Å; R99-E183 IonicContact CZ-OE2 2.66Å; R99-E183 IonicContact NE-OE2 3.12Å; R99-E183 IonicContact NH1-OE2 3.14Å; R99-E183 PolarHBondContact NH1-OE2 3.27Å
100	R	84.5	Confident	79.7	Confident	54 Å²	54	47.7 Å²	47.7	20%	0.204	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-70.8	134.5	178.4	-170.3	-168.6	-168.2	127.4	12.6	111.5	Y93 D102 H201 S285 D327	Y93-R100 HydrophobicContact CD1-CB 4.34Å; Y93-R100 HydrophobicContact CE1-CB 4.27Å; R100-D102 PolarHBondContact O-N 2.97Å; R100-H201 PolarHBondContact O-ND1 3.09Å; R100-S285 PolarHBondContact NH2-OG 2.66Å; R100-D327 IonicContact CZ-OD1 3.46Å; R100-D327 IonicContact NH2-OD1 2.7Å; R100-D327 PolarHBondContact NH2-OD1 3.49Å
101	V	88.4	Confident	79.5	Confident	6 Å²	6	48.4 Å²	48.4	4%	0.036	25%	0.253	C	S	.	.			trans	-74.2	110.4	166.4	-174.9	0	0	0	0	109.1	P92 F94 Y103 V104 K199 L325	P92-V101 PolarHBondContact O-N 2.96Å; F94-V101 HydrophobicContact CD1-CG2 3.68Å; F94-V101 HydrophobicContact CE1-CG2 3.94Å; V101-Y103 WeakPolarHBondContact CG1-O 3.22Å; V101-V104 HydrophobicContact CG1-CG2 3.61Å; V101-K199 HydrophobicContact CG1-CB 4.09Å; V101-K199 HydrophobicContact CG1-CG 4.14Å; V101-K199 HydrophobicContact CG2-CB 4.2Å; V101-K199 HydrophobicContact CG2-CD 3.89Å; V101-K199 HydrophobicContact CG2-CG 4.13Å; V101-L325 HydrophobicContact CB-CD1 3.96Å; V101-L325 HydrophobicContact CG1-CD1 3.69Å; V101-L325 HydrophobicContact CG1-CG 4.32Å
102	D	89.3	Confident	78.6	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	28%	0.275	C	S	.	.			trans	-89.2	-27.5	179.2	-65.9	-50.7	0	0	0	112.5	R100 I200 H201 A202 R288 S289 V292	R100-D102 PolarHBondContact O-N 2.97Å; D102-I200 PolarHBondContact N-O 3.38Å; D102-H201 IonicContact OD2-ND1 3.87Å; D102-A202 PolarHBondContact OD2-N 3.25Å; D102-R288 WeakPolarHBondContact OD1-CB 3.48Å; D102-R288 IonicContact OD1-CZ 3.5Å; D102-R288 IonicContact OD1-NE 2.66Å; D102-R288 PolarHBondContact OD1-NE 3.3Å; D102-R288 IonicContact OD1-NH2 3.3Å; D102-R288 PolarHBondContact OD1-NH2 3.15Å; D102-R288 IonicContact OD2-CZ 3.32Å; D102-R288 IonicContact OD2-NE 3.85Å; D102-R288 IonicContact OD2-NH2 2.65Å; D102-R288 PolarHBondContact OD2-NH2 3.39Å; D102-S289 PolarHBondContact O-OG 2.96Å; D102-V292 HydrophobicContact CB-CG2 4.05Å
103	Y	91.6	Very high	76.8	Confident	1 Å²	1	57.9 Å²	57.9	0%	0.004	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	153.2	-177.6	-144.8	-88.7	0	0	0	111.6	V101 L105 I200 V292 Y293 L296 A322 Y323 P324 I792	V101-Y103 WeakPolarHBondContact CG1-O 3.22Å; Y103-L105 HydrophobicContact CD1-CD2 3.98Å; Y103-L105 HydrophobicContact CE1-CD2 3.93Å; Y103-I200 PolarHBondContact N-O 3.43Å; Y103-I200 PolarHBondContact O-N 3.29Å; Y103-V292 HydrophobicContact CD2-CG1 4.41Å; Y103-V292 HydrophobicContact CG-CG1 4.11Å; Y103-Y293 HydrophobicContact CE2-CD2 4.33Å; Y103-L296 HydrophobicContact CD1-CD1 3.76Å; Y103-L296 HydrophobicContact CE1-CD1 4.01Å; Y103-L296 HydrophobicContact CG-CD1 4.15Å; Y103-A322 HydrophobicContact CE1-CB 4.02Å; Y103-A322 PolarHBondContact OH-O 3.06Å; Y103-Y323 VanDerWaalsContact CE1-N 3.29Å; Y103-P324 HydrophobicContact CD2-CB 4.2Å; Y103-P324 HydrophobicContact CE2-CB 4.22Å; Y103-P324 HydrophobicContact CE2-CG 4.4Å; Y103-I792 HydrophobicContact CE2-CG1 4.44Å; Y103-I792 WeakPolarHBondContact OH-CD1 3.27Å
104	V	92.1	Very high	74.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.6	175.9	176.2	0	0	0	0	111.1	V101 T106 F197 L198 K199 A322 Y323 L325	V101-V104 HydrophobicContact CG1-CG2 3.61Å; V104-T106 HydrophobicContact CG1-CG2 4.22Å; V104-F197 HydrophobicContact CG1-CD1 4.1Å; V104-L198 WeakPolarHBondContact CA-O 3.35Å; V104-K199 HydrophobicContact CG2-CG 4.36Å; V104-A322 WeakPolarHBondContact O-CA 3.39Å; V104-Y323 HydrophobicContact CG1-CE1 4.46Å; V104-Y323 PolarHBondContact N-O 2.92Å; V104-Y323 PolarHBondContact O-N 3.49Å; V104-L325 HydrophobicContact CB-CD2 4.41Å; V104-L325 HydrophobicContact CG2-CD1 3.98Å; V104-L325 HydrophobicContact CG2-CD2 3.81Å; V104-L325 HydrophobicContact CG2-CG 3.87Å
105	L	91.5	Very high	72.2	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	147.3	165.1	-49.9	-173.9	0	0	0	109.4	Y103 F173 L198 I200 L296 I310 Y319 A322	Y103-L105 HydrophobicContact CD1-CD2 3.98Å; Y103-L105 HydrophobicContact CE1-CD2 3.93Å; L105-F173 HydrophobicContact CD1-CE1 4.41Å; L105-L198 HydrophobicContact CB-CB 4.3Å; L105-L198 HydrophobicContact CB-CD2 4.49Å; L105-L198 HydrophobicContact CD1-CD2 4.19Å; L105-L198 PolarHBondContact N-O 3Å; L105-L198 PolarHBondContact O-N 2.88Å; L105-I200 HydrophobicContact CD1-CD1 4.19Å; L105-I200 HydrophobicContact CG-CD1 4.02Å; L105-L296 HydrophobicContact CD1-CD2 4.34Å; L105-L296 HydrophobicContact CD2-CD1 4.49Å; L105-I310 HydrophobicContact CD1-CD1 4.08Å; L105-I310 HydrophobicContact CD2-CD1 3.74Å; L105-Y319 HydrophobicContact CB-CD1 3.98Å; L105-Y319 HydrophobicContact CB-CE1 4.17Å; L105-Y319 HydrophobicContact CB-CG 4.49Å; L105-Y319 HydrophobicContact CD1-CD1 4.42Å; L105-Y319 HydrophobicContact CD1-CD2 4.36Å; L105-Y319 HydrophobicContact CD1-CE1 4.17Å; L105-Y319 HydrophobicContact CD1-CE2 4.09Å; L105-A322 HydrophobicContact CD2-CB 3.43Å; L105-A322 VanDerWaalsContact CD2-CB 3.43Å
106	T	89.5	Confident	69.9	Low	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.3	175.2	62.4	0	0	0	0	111.3	V104 I195 G196 F197 Y319 T320 S321 Y323 H733	V104-T106 HydrophobicContact CG1-CG2 4.22Å; T106-I195 HydrophobicContact CG2-CG2 4.45Å; T106-G196 VanDerWaalsContact CA-O 3.31Å; T106-G196 WeakPolarHBondContact CA-O 3.33Å; T106-F197 HydrophobicContact CG2-CD1 3.51Å; T106-F197 HydrophobicContact CG2-CE1 3.59Å; T106-F197 HydrophobicContact CG2-CG 4.4Å; T106-Y319 CarbonylContact O-C 3.57Å; T106-Y319 WeakPolarHBondContact O-CA 3.42Å; T106-Y319 WeakPolarHBondContact O-CB 3.27Å; T106-T320 PolarHBondContact O-N 3.47Å; T106-T320 PolarHBondContact O-OG1 2.89Å; T106-T320 PolarHBondContact OG1-OG1 3.05Å; T106-S321 PolarHBondContact N-O 3.49Å; T106-S321 PolarHBondContact OG1-N 3.27Å; T106-S321 VanDerWaalsContact OG1-N 3.15Å; T106-S321 PolarHBondContact OG1-O 2.84Å; T106-S321 PolarHBondContact OG1-OG 3.22Å; T106-Y323 HydrophobicContact CG2-CE1 3.99Å; T106-H733 PolarHBondContact OG1-CE1 3.33Å
107	Y	88.8	Confident	67.3	Low	6 Å²	6	78 Å²	78	2%	0.024	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	159.5	177.1	52.7	-82.7	0	0	0	110.9	I109 E188 I195 G196 L198 Y319	Y107-I109 HydrophobicContact CD2-CD1 4.36Å; Y107-I109 HydrophobicContact CD2-CG1 3.82Å; Y107-I109 HydrophobicContact CE2-CD1 3.72Å; Y107-I109 HydrophobicContact CE2-CG1 3.63Å; Y107-E188 WeakPolarHBondContact CE2-OE1 3.4Å; Y107-E188 PolarHBondContact OH-OE1 3.3Å; Y107-I195 CarbonylContact O-C 3.37Å; Y107-I195 WeakPolarHBondContact O-CA 3.29Å; Y107-G196 PolarHBondContact N-O 2.88Å; Y107-G196 PolarHBondContact O-N 3.2Å; Y107-L198 HydrophobicContact CE1-CB 4.27Å; Y107-Y319 HydrophobicContact CD1-CD1 4.25Å; Y107-Y319 HydrophobicContact CD1-CE1 4.12Å
108	G	81.7	Confident	65.3	Low	32 Å²	32	85.3 Å²	85.3	33%	0.33	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	139.2	172.6	0	0	0	0	0	111.1
109	I	75.9	Confident	62.8	Low	39 Å²	39	82.6 Å²	82.6	20%	0.2	43%	0.427	C	S	.	.			trans	-122.9	115.9	171.1	-63.7	-179.2	0	0	0	108.1	Y107 K111 E188 G194 G196	Y107-I109 HydrophobicContact CD2-CD1 4.36Å; Y107-I109 HydrophobicContact CD2-CG1 3.82Å; Y107-I109 HydrophobicContact CE2-CD1 3.72Å; Y107-I109 HydrophobicContact CE2-CG1 3.63Å; I109-K111 PolarHBondContact O-N 3.25Å; I109-E188 HydrophobicContact CD1-CB 3.62Å; I109-E188 HydrophobicContact CD1-CG 3.56Å; I109-G194 PolarHBondContact N-O 3.16Å; I109-G194 VanDerWaalsContact O-CA 3.3Å; I109-G194 WeakPolarHBondContact O-CA 3.31Å; I109-G196 VanDerWaalsContact CD1-CA 3.45Å
110	Q	60.1	Low	60.3	Low	139 Å²	139	84.1 Å²	84.1	65%	0.65	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-73.1	119.3	159.6	-64.2	-163.2	28.8	0	0	108.2
111	K	47.7	Very low	57.7	Low	148 Å²	148	91.1 Å²	91.1	64%	0.643	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-70	133.2	165.2	-71.4	-166.8	174	-170.4	0	108	I109	I109-K111 PolarHBondContact O-N 3.25Å
112	P	38.3	Very low	54.9	Low	117 Å²	117	99.1 Å²	99.1	76%	0.76	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-56.7	144	173.7	24.7	-33.6	0	0	0	109.8	A114	P112-A114 PolarHBondContact O-N 3.38Å
113	S	34	Very low	52	Low	126 Å²	126	103.7 Å²	103.7	88%	0.881	56%	0.558	S	S	*	*			trans	-76.6	45.9	-161.5	43.6	0	0	0	0	115.2
114	A	36.7	Very low	49.2	Very low	87 Å²	87	111 Å²	111	72%	0.719	60%	0.596	S	S	*	*			trans	-74.7	126.3	172.6	0	0	0	0	0	111.9	P112	P112-A114 PolarHBondContact O-N 3.38Å
115	V	33.1	Very low	46.5	Very low	125 Å²	125	117 Å²	117	76%	0.758	63%	0.629	S	S	*	*			trans	62.4	79.4	172.8	-165.5	0	0	0	0	115.1	R117	V115-R117 VanDerWaalsContact C-N 3.26Å; V115-R117 HydrophobicContact CG1-CG 4.33Å; V115-R117 PolarHBondContact O-N 2.89Å
116	R	30.2	Very low	43.7	Very low	234 Å²	234	119.1 Å²	119.1	88%	0.883	65%	0.65	S	S	*	*			trans	-67.3	69.4	169.4	-168.3	-174.5	-168.8	168.8	6.5	112.7	Q118	R116-Q118 PolarHBondContact O-N 3.49Å
117	R	26.8	Very low	41.3	Very low	226 Å²	226	126 Å²	126	85%	0.853	68%	0.68	S	S	*	*			trans	-65.8	116.1	165.9	-90.3	-174.1	174.7	176.5	-0.2	109.2	V115 S119	V115-R117 VanDerWaalsContact C-N 3.26Å; V115-R117 HydrophobicContact CG1-CG 4.33Å; V115-R117 PolarHBondContact O-N 2.89Å; R117-S119 PolarHBondContact O-N 3.34Å
118	Q	30.5	Very low	38.9	Very low	190 Å²	190	133.6 Å²	133.6	89%	0.888	71%	0.714	S	S	*	*			trans	-67.1	117.3	179.5	-68.7	178.1	-13.6	0	0	110.6	R116	R116-Q118 PolarHBondContact O-N 3.49Å
119	S	26.2	Very low	37	Very low	110 Å²	110	138.5 Å²	138.5	77%	0.769	73%	0.728	S	S	*	*			trans	-122.9	134.2	159.6	56.1	0	0	0	0	108.4	R117 K121	R117-S119 PolarHBondContact O-N 3.34Å; S119-K121 PolarHBondContact O-N 3.01Å; S119-K121 VanDerWaalsContact O-N 3.15Å
120	S	29.1	Very low	35.1	Very low	126 Å²	126	146.1 Å²	146.1	88%	0.881	75%	0.754	S	S	*	*			trans	-78	100.2	-164.3	35.8	0	0	0	0	112.8	L122	S120-L122 PolarHBondContact O-N 3.07Å
121	K	29.5	Very low	34	Very low	200 Å²	200	144.4 Å²	144.4	87%	0.87	75%	0.749	S	S	*	*			trans	-77.3	100.7	157.6	-79.2	-171.8	176.6	179.3	0	109.5	S119 S123	S119-K121 PolarHBondContact O-N 3.01Å; S119-K121 VanDerWaalsContact O-N 3.15Å; K121-S123 PolarHBondContact O-N 3.44Å
122	L	31.2	Very low	33.5	Very low	174 Å²	174	147.6 Å²	147.6	91%	0.911	76%	0.757	S	S	*	*			trans	-59.1	122.5	165.2	-170.6	71.5	0	0	0	108.8	S120	S120-L122 PolarHBondContact O-N 3.07Å
123	S	28.2	Very low	33.4	Very low	98 Å²	98	152.3 Å²	152.3	69%	0.685	76%	0.76	S	S	*	*			trans	-141.2	130.2	179.6	-174.4	0	0	0	0	109.4	K121 N125	K121-S123 PolarHBondContact O-N 3.44Å; S123-N125 VanDerWaalsContact C-N 3.29Å; S123-N125 PolarHBondContact O-N 2.95Å; S123-N125 VanDerWaalsContact O-N 3.09Å
124	D	32.2	Very low	33.5	Very low	153 Å²	153	150.6 Å²	150.6	82%	0.818	75%	0.748	S	S	*	*	S	Bend	trans	-90.1	26.3	-150.8	-133	-12.2	0	0	0	115.4	G126	D124-G126 VanDerWaalsContact C-N 3.29Å; D124-G126 PolarHBondContact O-N 3.41Å
125	N	34.8	Very low	33.6	Very low	128 Å²	128	154 Å²	154	68%	0.684	75%	0.753	S	S	*	*			trans	-90	15.2	178.1	-78.1	-6.8	0	0	0	113.5	S123 F127	S123-N125 VanDerWaalsContact C-N 3.29Å; S123-N125 PolarHBondContact O-N 2.95Å; S123-N125 VanDerWaalsContact O-N 3.09Å; N125-F127 VanDerWaalsContact C-N 3.32Å; N125-F127 PolarHBondContact O-N 3.42Å
126	G	34.3	Very low	33.8	Very low	43 Å²	43	153.1 Å²	153.1	44%	0.443	75%	0.752	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.9	-16.5	-173.2	0	0	0	0	0	115.8	D124 R130	D124-G126 VanDerWaalsContact C-N 3.29Å; D124-G126 PolarHBondContact O-N 3.41Å; G126-R130 WeakPolarHBondContact O-CG 3.4Å
127	F	38.5	Very low	33.9	Very low	145 Å²	145	147.2 Å²	147.2	64%	0.636	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-57.8	-171.8	-165.8	-105.3	0	0	0	112.9	N125 H129 R130 L131	N125-F127 VanDerWaalsContact C-N 3.32Å; N125-F127 PolarHBondContact O-N 3.42Å; F127-H129 VanDerWaalsContact C-N 3.32Å; F127-H129 PolarHBondContact O-N 3.1Å; F127-R130 PolarHBondContact O-N 2.67Å; F127-L131 HydrophobicContact CE1-CD1 4.32Å; F127-L131 HydrophobicContact CZ-CD1 4.44Å
128	F	39	Very low	34.2	Very low	165 Å²	165	148.2 Å²	148.2	72%	0.724	75%	0.75	S	S	*	*	H	α-helix	trans	-64.5	-32.2	-175.2	-68.1	-79.7	0	0	0	113.6	R130 R132	F128-R130 VanDerWaalsContact C-N 3.31Å; F128-R130 PolarHBondContact O-N 3.49Å; F128-R132 PolarHBondContact O-N 3.14Å
129	H	41.1	Very low	34.2	Very low	135 Å²	135	144.2 Å²	144.2	63%	0.625	74%	0.743	S	S	*	*	H	α-helix	trans	-72.5	-17.5	174.3	-81.3	-75.8	0	0	0	114.4	F127	F127-H129 VanDerWaalsContact C-N 3.32Å; F127-H129 PolarHBondContact O-N 3.1Å
130	R	34.8	Very low	34.5	Very low	199 Å²	199	143.8 Å²	143.8	75%	0.751	74%	0.74	S	S	*	*	H	α-helix	trans	-76.7	-44.3	172.8	-77.3	179.9	-177	-165.6	2.4	111.8	G126 F127 F128 R132 R133	G126-R130 WeakPolarHBondContact O-CG 3.4Å; F127-R130 PolarHBondContact O-N 2.67Å; F128-R130 VanDerWaalsContact C-N 3.31Å; F128-R130 PolarHBondContact O-N 3.49Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 2.93Å; R130-R133 PolarHBondContact O-N 3.43Å; R130-R133 VanDerWaalsContact O-N 3.08Å
131	L	38.5	Very low	34.6	Very low	104 Å²	104	150 Å²	150	55%	0.545	74%	0.744	S	S	.	*	H	α-helix	trans	-58	-41	176.2	-93.5	76.4	0	0	0	112.1	F127 R133 S134	F127-L131 HydrophobicContact CE1-CD1 4.32Å; F127-L131 HydrophobicContact CZ-CD1 4.44Å; L131-R133 PolarHBondContact O-N 2.93Å; L131-S134 PolarHBondContact O-N 3.06Å; L131-S134 PolarHBondContact O-OG 3.47Å; L131-S134 VanDerWaalsContact O-OG 3.12Å
132	R	37.2	Very low	34.6	Very low	215 Å²	215	144.6 Å²	144.6	81%	0.811	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-12.2	180	-161.5	167	-178.2	170.2	-0.1	114	F128 R130	F128-R132 PolarHBondContact O-N 3.14Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 2.93Å
133	R	36.5	Very low	34.8	Very low	216 Å²	216	142.8 Å²	142.8	82%	0.815	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-11.7	178.3	-77.7	-174.5	175.2	171.5	1	114.9	R130 L131 L135	R130-R133 PolarHBondContact O-N 3.43Å; R130-R133 VanDerWaalsContact O-N 3.08Å; L131-R133 PolarHBondContact O-N 2.93Å; R133-L135 VanDerWaalsContact C-N 3.3Å; R133-L135 PolarHBondContact O-N 2.79Å
134	S	34.8	Very low	34.9	Very low	90 Å²	90	146.3 Å²	146.3	63%	0.629	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-3	177.4	61.6	0	0	0	0	114.5	L131	L131-S134 PolarHBondContact O-N 3.06Å; L131-S134 PolarHBondContact O-OG 3.47Å; L131-S134 VanDerWaalsContact O-OG 3.12Å
135	L	39.9	Very low	34.9	Very low	159 Å²	159	147.5 Å²	147.5	83%	0.832	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.5	14.3	-174.3	-69	173	0	0	0	114.3	R133	R133-L135 VanDerWaalsContact C-N 3.3Å; R133-L135 PolarHBondContact O-N 2.79Å
136	S	37.2	Very low	35	Very low	105 Å²	105	147.3 Å²	147.3	73%	0.734	75%	0.752	S	S	*	*			trans	-142.5	97.3	174.2	-165.4	0	0	0	0	111.6
137	S	32	Very low	35.2	Very low	110 Å²	110	154.8 Å²	154.8	77%	0.769	77%	0.773	S	S	*	*			trans	-144	83.3	179.5	60.5	0	0	0	0	111.9
138	R	32.7	Very low	35.4	Very low	248 Å²	248	155.6 Å²	155.6	94%	0.936	78%	0.779	S	S	*	*			trans	-159.6	138.4	156.4	-121.4	168.7	178.4	173.7	-1.8	114.7
139	S	31.3	Very low	35.6	Very low	106 Å²	106	153.4 Å²	153.4	74%	0.741	77%	0.774	S	S	*	*			trans	73.7	102.4	156	-124.3	0	0	0	0	122.3
140	S	32	Very low	36.1	Very low	100 Å²	100	151.9 Å²	151.9	70%	0.699	78%	0.777	S	S	*	*				58.9	96.7	121.6	63.6	0	0	0	0	122.2
141	R	31	Very low	36.7	Very low	256 Å²	256	150.1 Å²	150.1	97%	0.966	78%	0.777	S	S	*	*			trans	31.5	113.9	131.3	-71.6	-178.7	171.3	169.6	-3.1	120.1
142	A	29.6	Very low	37.3	Very low	88 Å²	88	148.8 Å²	148.8	73%	0.727	77%	0.773	S	S	*	*				-147.4	147.4	128.9	0	0	0	0	0	108.9
143	P	35	Very low	37.9	Very low	136 Å²	136	139.9 Å²	139.9	88%	0.883	75%	0.745	S	S	*	*			trans	-83.1	119.1	178.7	31.7	-31.6	0	0	0	111.3
144	L	30.3	Very low	38.5	Very low	171 Å²	171	131.8 Å²	131.8	90%	0.895	73%	0.725	S	S	*	*			trans	-111.7	147.8	167.5	-85.5	162.5	0	0	0	109.8
145	Q	33.1	Very low	39.2	Very low	178 Å²	178	131.9 Å²	131.9	83%	0.832	72%	0.722	S	S	*	*			trans	-63.5	152	177.2	-69.3	176.3	-15.5	0	0	111.1	K147	Q145-K147 PolarHBondContact O-N 3.25Å
146	P	36.4	Very low	39.6	Very low	124 Å²	124	130.1 Å²	130.1	81%	0.805	71%	0.709	S	S	*	*			trans	-68.7	97.1	173.7	29.7	-34	0	0	0	110
147	K	38.3	Very low	40.1	Very low	200 Å²	200	130.7 Å²	130.7	87%	0.87	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-72.4	122.7	149	-83.3	-172.4	171	-175.4	0	107.2	Q145	Q145-K147 PolarHBondContact O-N 3.25Å
148	E	42.3	Very low	41.2	Very low	163 Å²	163	131.4 Å²	131.4	76%	0.762	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-65.7	141	164.3	-65.2	172.5	147.4	0	0	108.4
149	D	44.1	Very low	42.4	Very low	118 Å²	118	121.8 Å²	121.8	63%	0.631	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-63.1	123.2	-179.2	-80.1	-53	0	0	0	109.4	E151 V152 A153	D149-E151 PolarHBondContact O-N 3.17Å; D149-E151 VanDerWaalsContact O-N 3.12Å; D149-V152 HydrophobicContact CB-CB 4.33Å; D149-V152 HydrophobicContact CB-CG2 3.94Å; D149-V152 WeakPolarHBondContact O-CB 3.34Å; D149-V152 PolarHBondContact O-N 3.44Å; D149-A153 PolarHBondContact O-N 2.86Å
150	P	51.7	Low	43.8	Very low	104 Å²	104	120.6 Å²	120.6	68%	0.675	65%	0.65	S	S	*	*	H	α-helix	trans	-65.1	-23.1	-170.9	24.9	-34.5	0	0	0	113	A154	P150-A154 WeakPolarHBondContact O-CB 3.24Å; P150-A154 PolarHBondContact O-N 3.05Å
151	E	47.4	Very low	45.4	Very low	161 Å²	161	124.2 Å²	124.2	75%	0.752	65%	0.65	S	S	*	*	H	α-helix	trans	-71.5	-35.8	173.4	-170	173.1	-165.9	0	0	112.1	D149 T155	D149-E151 PolarHBondContact O-N 3.17Å; D149-E151 VanDerWaalsContact O-N 3.12Å; E151-T155 WeakPolarHBondContact O-CB 3.48Å; E151-T155 PolarHBondContact O-N 3.29Å; E151-T155 PolarHBondContact O-OG1 3.41Å
152	V	51	Low	47.4	Very low	76 Å²	76	116.8 Å²	116.8	46%	0.461	63%	0.626	S	S	.	*	H	α-helix	trans	-71.2	-47	172.6	-178.7	0	0	0	0	109.7	D149 A154 T155 E156	D149-V152 HydrophobicContact CB-CB 4.33Å; D149-V152 HydrophobicContact CB-CG2 3.94Å; D149-V152 WeakPolarHBondContact O-CB 3.34Å; D149-V152 PolarHBondContact O-N 3.44Å; V152-A154 VanDerWaalsContact C-N 3.33Å; V152-A154 PolarHBondContact O-N 3.03Å; V152-T155 WeakPolarHBondContact O-CB 3.41Å; V152-T155 PolarHBondContact O-N 2.97Å; V152-T155 VanDerWaalsContact O-N 3.11Å; V152-E156 HydrophobicContact CG1-CG 4.48Å; V152-E156 PolarHBondContact O-N 3.37Å
153	A	50.3	Low	49.5	Very low	28 Å²	28	115.5 Å²	115.5	23%	0.231	61%	0.605	C	S	.	*	H	α-helix	trans	-59.9	-40.7	177	0	0	0	0	0	112.3	D149 E156 Q157	D149-A153 PolarHBondContact O-N 2.86Å; A153-E156 PolarHBondContact O-N 3.11Å; A153-Q157 VanDerWaalsContact O-CB 3.29Å; A153-Q157 WeakPolarHBondContact O-CB 3.44Å; A153-Q157 WeakPolarHBondContact O-CG 3.48Å; A153-Q157 PolarHBondContact O-N 2.95Å
154	A	47.4	Very low	51.5	Low	47 Å²	47	113.5 Å²	113.5	39%	0.388	59%	0.587	S	S	.	*	H	α-helix	trans	-65.8	-38.7	174.4	0	0	0	0	0	112.3	P150 V152 Q157 Q158	P150-A154 WeakPolarHBondContact O-CB 3.24Å; P150-A154 PolarHBondContact O-N 3.05Å; V152-A154 VanDerWaalsContact C-N 3.33Å; V152-A154 PolarHBondContact O-N 3.03Å; A154-Q157 PolarHBondContact O-N 3.32Å; A154-Q158 WeakPolarHBondContact O-CB 3.31Å; A154-Q158 PolarHBondContact O-N 2.92Å
155	T	49.6	Very low	53.9	Low	92 Å²	92	108 Å²	108	56%	0.564	56%	0.558	S	S	*	*	H	α-helix	trans	-66.3	-42.8	176.5	-58	0	0	0	0	111.6	E151 V152 Q158 A159	E151-T155 WeakPolarHBondContact O-CB 3.48Å; E151-T155 PolarHBondContact O-N 3.29Å; E151-T155 PolarHBondContact O-OG1 3.41Å; V152-T155 WeakPolarHBondContact O-CB 3.41Å; V152-T155 PolarHBondContact O-N 2.97Å; V152-T155 VanDerWaalsContact O-N 3.11Å; T155-Q158 PolarHBondContact O-N 3.14Å; T155-A159 WeakPolarHBondContact O-CB 3.47Å; T155-A159 PolarHBondContact O-N 2.8Å
156	E	48.4	Very low	56.2	Low	122 Å²	122	102 Å²	102	57%	0.57	53%	0.529	S	S	*	.	H	α-helix	trans	-69.2	-39.4	175.9	-69.7	-172.2	169.6	0	0	111.9	V152 A153 A159 N160	V152-E156 HydrophobicContact CG1-CG 4.48Å; V152-E156 PolarHBondContact O-N 3.37Å; A153-E156 PolarHBondContact O-N 3.11Å; E156-A159 PolarHBondContact O-N 3.46Å; E156-N160 WeakPolarHBondContact O-CB 3.3Å; E156-N160 PolarHBondContact O-N 3.32Å; E156-N160 PolarHBondContact O-ND2 3.04Å
157	Q	49.2	Very low	58.4	Low	117 Å²	117	102.4 Å²	102.4	55%	0.547	52%	0.515	S	S	.	.	H	α-helix	trans	-59.4	-48.1	171.4	-76.8	170.2	5.6	0	0	111.6	A153 A154 A159 N160 Y161	A153-Q157 VanDerWaalsContact O-CB 3.29Å; A153-Q157 WeakPolarHBondContact O-CB 3.44Å; A153-Q157 WeakPolarHBondContact O-CG 3.48Å; A153-Q157 PolarHBondContact O-N 2.95Å; A154-Q157 PolarHBondContact O-N 3.32Å; Q157-A159 VanDerWaalsContact C-N 3.33Å; Q157-A159 PolarHBondContact O-N 3.41Å; Q157-N160 PolarHBondContact O-N 3.31Å; Q157-Y161 WeakPolarHBondContact O-CD2 3.27Å; Q157-Y161 PolarHBondContact O-N 3.43Å
158	Q	53.7	Low	60.6	Low	124 Å²	124	99 Å²	99	58%	0.579	50%	0.5	S	S	*	.	H	α-helix	trans	-65.9	-35.1	178.9	-173.3	168.4	-4	0	0	112.2	A154 T155 H162	A154-Q158 WeakPolarHBondContact O-CB 3.31Å; A154-Q158 PolarHBondContact O-N 2.92Å; T155-Q158 PolarHBondContact O-N 3.14Å; Q158-H162 PolarHBondContact O-CD2 3.39Å; Q158-H162 PolarHBondContact O-N 3Å; Q158-H162 VanDerWaalsContact O-N 3.12Å
159	A	57.6	Low	62.5	Low	46 Å²	46	92.7 Å²	92.7	38%	0.38	47%	0.47	S	S	.	.	H	α-helix	trans	-64.1	-43.7	171.9	0	0	0	0	0	112.1	T155 E156 Q157 H162 E163	T155-A159 WeakPolarHBondContact O-CB 3.47Å; T155-A159 PolarHBondContact O-N 2.8Å; E156-A159 PolarHBondContact O-N 3.46Å; Q157-A159 VanDerWaalsContact C-N 3.33Å; Q157-A159 PolarHBondContact O-N 3.41Å; A159-H162 PolarHBondContact O-N 3.39Å; A159-E163 PolarHBondContact O-N 3.32Å
160	N	60.7	Low	64.5	Low	82 Å²	82	88.2 Å²	88.2	44%	0.439	45%	0.445	S	S	.	.	H	α-helix	trans	-63.7	-49	177	-68.2	-19.9	0	0	0	111.3	E156 Q157 H162 E163 D164	E156-N160 WeakPolarHBondContact O-CB 3.3Å; E156-N160 PolarHBondContact O-N 3.32Å; E156-N160 PolarHBondContact O-ND2 3.04Å; Q157-N160 PolarHBondContact O-N 3.31Å; N160-H162 PolarHBondContact O-N 2.97Å; N160-E163 PolarHBondContact O-N 2.73Å; N160-D164 PolarHBondContact O-N 3.13Å
161	Y	67.3	Low	66.2	Low	176 Å²	176	87.1 Å²	87.1	69%	0.69	43%	0.43	S	S	*	.	H	α-helix	trans	-54.4	-37.4	174.4	-82.8	-64.5	0	0	0	112.8	Q157 D165	Q157-Y161 WeakPolarHBondContact O-CD2 3.27Å; Q157-Y161 PolarHBondContact O-N 3.43Å; Y161-D165 VanDerWaalsContact O-CB 3.23Å; Y161-D165 WeakPolarHBondContact O-CB 3.25Å; Y161-D165 PolarHBondContact O-N 3.34Å
162	H	71.5	Confident	68.1	Low	100 Å²	100	81.5 Å²	81.5	46%	0.463	40%	0.404	S	S	.	.	H	α-helix	trans	-73.2	-30.3	175.9	-81	-54.3	0	0	0	114.1	Q158 A159 N160 K166	Q158-H162 PolarHBondContact O-CD2 3.39Å; Q158-H162 PolarHBondContact O-N 3Å; Q158-H162 VanDerWaalsContact O-N 3.12Å; A159-H162 PolarHBondContact O-N 3.39Å; N160-H162 PolarHBondContact O-N 2.97Å; H162-K166 VanDerWaalsContact O-CG 3.24Å; H162-K166 WeakPolarHBondContact O-CG 3.19Å; H162-K166 PolarHBondContact O-N 2.99Å
163	E	73.4	Confident	69.8	Low	60 Å²	60	77.9 Å²	77.9	28%	0.28	38%	0.382	S	S	.	.	H	α-helix	trans	-79.2	-33.6	173	-70.4	-56.1	143.1	0	0	112.6	A159 N160 K166 R167	A159-E163 PolarHBondContact O-N 3.32Å; N160-E163 PolarHBondContact O-N 2.73Å; E163-K166 WeakPolarHBondContact O-CB 3.45Å; E163-K166 PolarHBondContact O-N 3.49Å; E163-K166 IonicContact OE1-NZ 3.43Å; E163-K166 PolarHBondContact OE1-NZ 3.17Å; E163-K166 WeakPolarHBondContact OE2-CD 3.5Å; E163-K166 IonicContact OE2-NZ 2.7Å; E163-R167 WeakPolarHBondContact O-CB 3.36Å; E163-R167 PolarHBondContact O-N 3.34Å
164	D	78.4	Confident	71.7	Confident	95 Å²	95	77 Å²	77	51%	0.508	37%	0.373	S	S	.	.	H	α-helix	trans	-68.5	-40.6	173.5	-71.4	-35.3	0	0	0	111.6	N160 K166 R167 F168	N160-D164 PolarHBondContact O-N 3.13Å; D164-K166 VanDerWaalsContact C-N 3.35Å; D164-K166 PolarHBondContact O-N 3.22Å; D164-R167 WeakPolarHBondContact O-CB 3.49Å; D164-R167 PolarHBondContact O-N 3.07Å; D164-R167 VanDerWaalsContact O-N 3.12Å; D164-F168 WeakPolarHBondContact O-CB 3.45Å; D164-F168 PolarHBondContact O-N 3.42Å
165	D	80.1	Confident	73.7	Confident	55 Å²	55	79.8 Å²	79.8	29%	0.294	38%	0.378	S	S	.	.	H	α-helix	trans	-62.5	-37.5	171.2	166.5	71.3	0	0	0	112.2	Y161 K169	Y161-D165 VanDerWaalsContact O-CB 3.23Å; Y161-D165 WeakPolarHBondContact O-CB 3.25Å; Y161-D165 PolarHBondContact O-N 3.34Å; D165-K169 VanDerWaalsContact O-CD 3.29Å; D165-K169 WeakPolarHBondContact O-CD 3.43Å; D165-K169 VanDerWaalsContact O-CG 3.23Å; D165-K169 WeakPolarHBondContact O-CG 3.4Å; D165-K169 PolarHBondContact O-N 2.82Å; D165-K169 WeakPolarHBondContact OD1-CE 3.22Å; D165-K169 IonicContact OD1-NZ 3.48Å; D165-K169 PolarHBondContact OD1-NZ 3.06Å; D165-K169 IonicContact OD2-NZ 3.94Å; D165-K169 PolarHBondContact OD2-NZ 3.01Å
166	K	82.1	Confident	75.6	Confident	51 Å²	51	76.9 Å²	76.9	22%	0.222	36%	0.359	C	S	.	.	H	α-helix	trans	-67	-38.8	169.7	-71.7	168.9	-167.2	175.2	0	112.1	H162 E163 D164 K169 R170 V318	H162-K166 VanDerWaalsContact O-CG 3.24Å; H162-K166 WeakPolarHBondContact O-CG 3.19Å; H162-K166 PolarHBondContact O-N 2.99Å; E163-K166 WeakPolarHBondContact O-CB 3.45Å; E163-K166 PolarHBondContact O-N 3.49Å; E163-K166 IonicContact OE1-NZ 3.43Å; E163-K166 PolarHBondContact OE1-NZ 3.17Å; E163-K166 WeakPolarHBondContact OE2-CD 3.5Å; E163-K166 IonicContact OE2-NZ 2.7Å; D164-K166 VanDerWaalsContact C-N 3.35Å; D164-K166 PolarHBondContact O-N 3.22Å; K166-K169 PolarHBondContact O-N 2.63Å; K166-R170 PolarHBondContact O-N 3.08Å; K166-R170 VanDerWaalsContact O-N 3.08Å; K166-V318 HydrophobicContact CG-CG2 4.27Å
167	R	83.1	Confident	77.5	Confident	134 Å²	134	71.1 Å²	71.1	51%	0.506	33%	0.332	S	S	.	.	H	α-helix	trans	-64.7	-49.7	-179.9	-178.8	-178.2	176	160.3	6.3	111	E163 D164 K169 R170 E171	E163-R167 WeakPolarHBondContact O-CB 3.36Å; E163-R167 PolarHBondContact O-N 3.34Å; D164-R167 WeakPolarHBondContact O-CB 3.49Å; D164-R167 PolarHBondContact O-N 3.07Å; D164-R167 VanDerWaalsContact O-N 3.12Å; R167-K169 VanDerWaalsContact C-N 3.29Å; R167-K169 PolarHBondContact O-N 2.86Å; R167-R170 WeakPolarHBondContact O-CB 3.08Å; R167-R170 PolarHBondContact O-N 3.46Å; R167-E171 HydrophobicContact CG-CG 4.49Å; R167-E171 IonicContact CZ-OE1 3.94Å; R167-E171 IonicContact NE-OE1 2.68Å; R167-E171 PolarHBondContact NE-OE1 2.59Å; R167-E171 IonicContact NE-OE2 3.88Å; R167-E171 IonicContact NH2-OE1 3.88Å; R167-E171 PolarHBondContact NH2-OE1 3.25Å; R167-E171 PolarHBondContact O-N 3.24Å
168	F	83.9	Confident	79.4	Confident	127 Å²	127	71.1 Å²	71.1	56%	0.557	33%	0.332	S	S	*	.	H	α-helix	trans	-54.7	-44.9	175.4	-177.3	-90.9	0	0	0	111.6	D164 R170 E171 E172	D164-F168 WeakPolarHBondContact O-CB 3.45Å; D164-F168 PolarHBondContact O-N 3.42Å; F168-R170 VanDerWaalsContact C-N 3.33Å; F168-R170 PolarHBondContact O-N 3.45Å; F168-E171 PolarHBondContact O-N 3.18Å; F168-E172 PolarHBondContact O-N 3.17Å
169	K	81.2	Confident	81.2	Confident	32 Å²	32	71.6 Å²	71.6	14%	0.139	34%	0.335	C	S	.	.	H	α-helix	trans	-62.9	-33	175.7	-72.5	165.1	-172.1	164.5	0	114.1	D165 K166 R167 F173 W301 V318	D165-K169 VanDerWaalsContact O-CD 3.29Å; D165-K169 WeakPolarHBondContact O-CD 3.43Å; D165-K169 VanDerWaalsContact O-CG 3.23Å; D165-K169 WeakPolarHBondContact O-CG 3.4Å; D165-K169 PolarHBondContact O-N 2.82Å; D165-K169 WeakPolarHBondContact OD1-CE 3.22Å; D165-K169 IonicContact OD1-NZ 3.48Å; D165-K169 PolarHBondContact OD1-NZ 3.06Å; D165-K169 IonicContact OD2-NZ 3.94Å; D165-K169 PolarHBondContact OD2-NZ 3.01Å; K166-K169 PolarHBondContact O-N 2.63Å; R167-K169 VanDerWaalsContact C-N 3.29Å; R167-K169 PolarHBondContact O-N 2.86Å; K169-F173 VanDerWaalsContact O-CB 3.28Å; K169-F173 WeakPolarHBondContact O-CB 3.11Å; K169-F173 PolarHBondContact O-N 3.19Å; K169-W301 HydrophobicContact CD-CH2 4.4Å; K169-W301 HydrophobicContact CG-CH2 4.12Å; K169-W301 HydrophobicContact CG-CZ2 3.83Å; K169-V318 HydrophobicContact CB-CG1 4.19Å; K169-V318 HydrophobicContact CD-CG2 4.38Å
170	R	86.6	Confident	82.5	Confident	24 Å²	24	71.8 Å²	71.8	9%	0.091	33%	0.328	C	S	.	.	H	α-helix	trans	-69.4	-48.4	171.8	-72.2	-173.2	-68.9	-97.3	-1.8	110.7	K166 R167 F168 E172 F173 E174 V318 Y319	K166-R170 PolarHBondContact O-N 3.08Å; K166-R170 VanDerWaalsContact O-N 3.08Å; R167-R170 WeakPolarHBondContact O-CB 3.08Å; R167-R170 PolarHBondContact O-N 3.46Å; F168-R170 VanDerWaalsContact C-N 3.33Å; F168-R170 PolarHBondContact O-N 3.45Å; R170-E172 PolarHBondContact O-N 2.75Å; R170-F173 PolarHBondContact O-N 3.48Å; R170-E174 VanDerWaalsContact O-CB 3.25Å; R170-E174 WeakPolarHBondContact O-CB 3.47Å; R170-E174 VanDerWaalsContact O-CD 3.32Å; R170-E174 WeakPolarHBondContact O-CG 3.33Å; R170-E174 PolarHBondContact O-N 2.96Å; R170-V318 HydrophobicContact CG-CG1 3.5Å; R170-V318 VanDerWaalsContact CG-CG1 3.5Å; R170-V318 PolarHBondContact NH1-O 3.21Å; R170-Y319 HydrophobicContact CG-CE1 3.94Å; R170-Y319 HydrophobicContact CG-CE2 4.29Å
171	E	87.6	Confident	83.8	Confident	80 Å²	80	69.3 Å²	69.3	37%	0.374	32%	0.322	S	S	.	.	H	α-helix	trans	-64.8	-40.4	-174.7	-70.7	171.8	169.8	0	0	111.9	R167 F168 E174 Q175	R167-E171 HydrophobicContact CG-CG 4.49Å; R167-E171 IonicContact CZ-OE1 3.94Å; R167-E171 IonicContact NE-OE1 2.68Å; R167-E171 PolarHBondContact NE-OE1 2.59Å; R167-E171 IonicContact NE-OE2 3.88Å; R167-E171 IonicContact NH2-OE1 3.88Å; R167-E171 PolarHBondContact NH2-OE1 3.25Å; R167-E171 PolarHBondContact O-N 3.24Å; F168-E171 PolarHBondContact O-N 3.18Å; E171-E174 PolarHBondContact O-N 3.28Å; E171-Q175 PolarHBondContact O-N 3.09Å
172	E	86	Confident	85	Confident	44 Å²	44	61.1 Å²	61.1	21%	0.206	29%	0.29	C	S	.	.	H	α-helix	trans	-68.7	-41.1	172.9	-163.8	-165.2	128.9	0	0	112.6	F168 R170 E174 Q175 N176 W301	F168-E172 PolarHBondContact O-N 3.17Å; R170-E172 PolarHBondContact O-N 2.75Å; E172-E174 VanDerWaalsContact C-N 3.31Å; E172-E174 PolarHBondContact O-N 3.48Å; E172-Q175 PolarHBondContact O-N 2.83Å; E172-N176 PolarHBondContact O-N 2.61Å; E172-N176 PolarHBondContact O-OD1 2.89Å; E172-W301 PolarHBondContact OE1-NE1 3.02Å; E172-W301 VanDerWaalsContact OE1-NE1 3.13Å; E172-W301 PolarHBondContact OE2-NE1 3.02Å
173	F	87.5	Confident	86	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.4	-35.6	176.5	-175.9	-106.6	0	0	0	112.2	L105 K169 R170 N176 L177 L296 I299 I310 L313 Y319	L105-F173 HydrophobicContact CD1-CE1 4.41Å; K169-F173 VanDerWaalsContact O-CB 3.28Å; K169-F173 WeakPolarHBondContact O-CB 3.11Å; K169-F173 PolarHBondContact O-N 3.19Å; R170-F173 PolarHBondContact O-N 3.48Å; F173-N176 PolarHBondContact O-N 2.74Å; F173-L177 HydrophobicContact CD1-CD1 3.81Å; F173-L177 HydrophobicContact CD1-CG 4.47Å; F173-L177 HydrophobicContact CE1-CD1 3.65Å; F173-L177 HydrophobicContact CE1-CG 4.27Å; F173-L177 HydrophobicContact CZ-CD1 4.38Å; F173-L177 VanDerWaalsContact O-CG 3.31Å; F173-L177 WeakPolarHBondContact O-CG 3.49Å; F173-L177 PolarHBondContact O-N 2.84Å; F173-L296 HydrophobicContact CE1-CD2 4.11Å; F173-L296 HydrophobicContact CZ-CD2 4.11Å; F173-I299 HydrophobicContact CD2-CG2 4.11Å; F173-I299 HydrophobicContact CE2-CB 4.32Å; F173-I299 HydrophobicContact CE2-CG2 3.76Å; F173-I310 HydrophobicContact CZ-CB 4.12Å; F173-I310 HydrophobicContact CZ-CG1 4.5Å; F173-L313 HydrophobicContact CB-CD1 4.07Å; F173-L313 HydrophobicContact CD1-CD1 3.8Å; F173-L313 HydrophobicContact CD2-CD1 3.64Å; F173-L313 HydrophobicContact CE1-CD1 4.09Å; F173-L313 HydrophobicContact CE2-CD1 3.95Å; F173-L313 HydrophobicContact CG-CD1 3.56Å; F173-L313 HydrophobicContact CZ-CD1 4.17Å; F173-Y319 AromaticContact CD1-CE2 3.88Å; F173-Y319 HydrophobicContact CD1-CE2 3.88Å; F173-Y319 HydrophobicContact CE1-CE2 4.25Å
174	E	90	Very high	86.9	Confident	8 Å²	8	58.4 Å²	58.4	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-71.5	-35.1	176	-73.2	160.8	-167.3	0	0	112.3	R170 E171 E172 L177 Q178 L184 K186 L198 Y319	R170-E174 VanDerWaalsContact O-CB 3.25Å; R170-E174 WeakPolarHBondContact O-CB 3.47Å; R170-E174 VanDerWaalsContact O-CD 3.32Å; R170-E174 WeakPolarHBondContact O-CG 3.33Å; R170-E174 PolarHBondContact O-N 2.96Å; E171-E174 PolarHBondContact O-N 3.28Å; E172-E174 VanDerWaalsContact C-N 3.31Å; E172-E174 PolarHBondContact O-N 3.48Å; E174-L177 WeakPolarHBondContact O-CB 3.38Å; E174-L177 PolarHBondContact O-N 3.36Å; E174-Q178 WeakPolarHBondContact O-CG 3.39Å; E174-Q178 PolarHBondContact O-N 3.21Å; E174-Q178 VanDerWaalsContact O-N 3.14Å; E174-L184 HydrophobicContact CB-CD1 4.03Å; E174-L184 HydrophobicContact CG-CD1 4.3Å; E174-L184 WeakPolarHBondContact O-CD1 3.44Å; E174-K186 WeakPolarHBondContact OE2-CE 3.17Å; E174-K186 IonicContact OE2-NZ 2.73Å; E174-K186 PolarHBondContact OE2-NZ 3.14Å; E174-L198 HydrophobicContact CG-CD2 3.85Å; E174-Y319 WeakPolarHBondContact CG-OH 3.49Å; E174-Y319 PolarHBondContact OE1-OH 2.71Å
175	Q	89.4	Confident	87.5	Confident	106 Å²	106	55.6 Å²	55.6	50%	0.495	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-49	167.9	-177.7	178.5	-30.2	0	0	110.9	E171 E172 L177 Q178 E179	E171-Q175 PolarHBondContact O-N 3.09Å; E172-Q175 PolarHBondContact O-N 2.83Å; Q175-L177 PolarHBondContact O-N 3.42Å; Q175-Q178 WeakPolarHBondContact O-CA 3.27Å; Q175-Q178 WeakPolarHBondContact O-CB 3.44Å; Q175-Q178 PolarHBondContact O-N 2.89Å; Q175-E179 HydrophobicContact CG-CG 4.38Å; Q175-E179 WeakPolarHBondContact CG-OE1 3.23Å; Q175-E179 PolarHBondContact NE2-OE1 2.65Å; Q175-E179 PolarHBondContact O-N 3.1Å
176	N	88.9	Confident	87.9	Confident	32 Å²	32	57.5 Å²	57.5	17%	0.171	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-28.3	179.1	-63.8	-3.9	0	0	0	112.5	E172 F173 M180 I299 R300	E172-N176 PolarHBondContact O-N 2.61Å; E172-N176 PolarHBondContact O-OD1 2.89Å; F173-N176 PolarHBondContact O-N 2.74Å; N176-M180 WeakPolarHBondContact O-CB 3.43Å; N176-M180 PolarHBondContact O-N 3.49Å; N176-I299 HydrophobicContact CB-CG2 3.95Å; N176-R300 PolarHBondContact ND2-O 3.49Å
177	L	89.1	Confident	87.9	Confident	0 Å²	0	56 Å²	56	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.6	-42.1	170.9	-76.2	166.4	0	0	0	112.6	F173 E174 Q175 M180 G181 L182 L184 L296 I299	F173-L177 HydrophobicContact CD1-CD1 3.81Å; F173-L177 HydrophobicContact CD1-CG 4.47Å; F173-L177 HydrophobicContact CE1-CD1 3.65Å; F173-L177 HydrophobicContact CE1-CG 4.27Å; F173-L177 HydrophobicContact CZ-CD1 4.38Å; F173-L177 VanDerWaalsContact O-CG 3.31Å; F173-L177 WeakPolarHBondContact O-CG 3.49Å; F173-L177 PolarHBondContact O-N 2.84Å; E174-L177 WeakPolarHBondContact O-CB 3.38Å; E174-L177 PolarHBondContact O-N 3.36Å; Q175-L177 PolarHBondContact O-N 3.42Å; L177-M180 PolarHBondContact O-N 2.93Å; L177-G181 PolarHBondContact O-N 3.43Å; L177-L182 HydrophobicContact CD2-CD1 3.72Å; L177-L182 WeakPolarHBondContact O-CB 3.3Å; L177-L182 PolarHBondContact O-N 2.91Å; L177-L184 HydrophobicContact CB-CD1 4.13Å; L177-L296 HydrophobicContact CD1-CD2 4.08Å; L177-L296 HydrophobicContact CD2-CD2 3.58Å; L177-L296 HydrophobicContact CG-CD2 4.47Å; L177-I299 HydrophobicContact CD2-CD1 3.46Å; L177-I299 VanDerWaalsContact CD2-CD1 3.46Å; L177-I299 HydrophobicContact CG-CD1 4.19Å
178	Q	90.2	Very high	87.7	Confident	117 Å²	117	54.7 Å²	54.7	55%	0.547	26%	0.262	S	S	.	.	H	α-helix	trans	-68.1	-42.1	176.4	-69.7	176.1	0.3	0	0	111.7	E174 Q175 M180 G181 L184	E174-Q178 WeakPolarHBondContact O-CG 3.39Å; E174-Q178 PolarHBondContact O-N 3.21Å; E174-Q178 VanDerWaalsContact O-N 3.14Å; Q175-Q178 WeakPolarHBondContact O-CA 3.27Å; Q175-Q178 WeakPolarHBondContact O-CB 3.44Å; Q175-Q178 PolarHBondContact O-N 2.89Å; Q178-M180 VanDerWaalsContact C-N 3.26Å; Q178-M180 PolarHBondContact O-N 3.3Å; Q178-G181 WeakPolarHBondContact O-CA 3.34Å; Q178-G181 PolarHBondContact O-N 2.72Å; Q178-L184 HydrophobicContact CG-CD1 3.85Å; Q178-L184 HydrophobicContact CG-CG 4.18Å
179	E	89.6	Confident	86.7	Confident	134 Å²	134	51.8 Å²	51.8	63%	0.626	27%	0.268	S	S	*	.	H	α-helix	trans	-61.5	-33.3	175.1	-70.8	-178.8	-167	0	0	112.5	Q175 G181	Q175-E179 HydrophobicContact CG-CG 4.38Å; Q175-E179 WeakPolarHBondContact CG-OE1 3.23Å; Q175-E179 PolarHBondContact NE2-OE1 2.65Å; Q175-E179 PolarHBondContact O-N 3.1Å; E179-G181 PolarHBondContact O-N 3.4Å
180	M	85.6	Confident	85.9	Confident	50 Å²	50	50.8 Å²	50.8	25%	0.246	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.8	173.2	-168	53.8	165.2	0	0	113.4	N176 L177 Q178 R209 E210 V295 I299	N176-M180 WeakPolarHBondContact O-CB 3.43Å; N176-M180 PolarHBondContact O-N 3.49Å; L177-M180 PolarHBondContact O-N 2.93Å; Q178-M180 VanDerWaalsContact C-N 3.26Å; Q178-M180 PolarHBondContact O-N 3.3Å; M180-R209 PolarHBondContact O-NH1 2.69Å; M180-R209 VanDerWaalsContact O-NH1 3.11Å; M180-R209 PolarHBondContact O-NH2 3.01Å; M180-R209 PolarHBondContact SD-NH2 3.22Å; M180-E210 VanDerWaalsContact CE-OE1 3.26Å; M180-E210 WeakPolarHBondContact CE-OE1 3.32Å; M180-V295 HydrophobicContact CG-CG1 4Å; M180-I299 HydrophobicContact CB-CD1 3.89Å; M180-I299 HydrophobicContact CG-CD1 3.99Å; M180-I299 HydrophobicContact CG-CG1 4.36Å
181	G	88.8	Confident	84.9	Confident	30 Å²	30	54.9 Å²	54.9	31%	0.309	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.2	15.4	175.9	0	0	0	0	0	115.6	L177 Q178 E179 P203 V206	L177-G181 PolarHBondContact O-N 3.43Å; Q178-G181 WeakPolarHBondContact O-CA 3.34Å; Q178-G181 PolarHBondContact O-N 2.72Å; E179-G181 PolarHBondContact O-N 3.4Å; G181-P203 WeakPolarHBondContact O-CD 3.25Å; G181-V206 WeakPolarHBondContact O-CG2 3.07Å
182	L	91.9	Very high	83.9	Confident	5 Å²	5	53 Å²	53	3%	0.026	28%	0.278	C	S	.	.			trans	-86.5	141.7	175.4	-67.5	177.4	0	0	0	111.5	L177 I200 A202 V206 V295	L177-L182 HydrophobicContact CD2-CD1 3.72Å; L177-L182 WeakPolarHBondContact O-CB 3.3Å; L177-L182 PolarHBondContact O-N 2.91Å; L182-I200 HydrophobicContact CB-CG2 4.32Å; L182-I200 HydrophobicContact CD1-CG2 4.14Å; L182-A202 HydrophobicContact CD2-CB 3.86Å; L182-V206 HydrophobicContact CD2-CG1 4.06Å; L182-V295 HydrophobicContact CD1-CB 4.47Å; L182-V295 HydrophobicContact CD1-CG1 3.75Å
183	E	92.2	Very high	83	Confident	65 Å²	65	55.2 Å²	55.2	30%	0.304	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133	179.9	-67.3	-179.1	-154.7	0	0	110.5	R99 I200 H201 P203	R99-E183 WeakPolarHBondContact CD-OE2 3.4Å; R99-E183 IonicContact CZ-OE2 2.66Å; R99-E183 IonicContact NE-OE2 3.12Å; R99-E183 IonicContact NH1-OE2 3.14Å; R99-E183 PolarHBondContact NH1-OE2 3.27Å; E183-I200 WeakPolarHBondContact O-CA 3.48Å; E183-H201 HydrophobicContact CB-CB 4.24Å; E183-H201 PolarHBondContact N-O 2.91Å; E183-H201 PolarHBondContact O-N 3.19Å; E183-H201 IonicContact OE2-CD2 3.96Å; E183-P203 HydrophobicContact CG-CG 3.88Å; E183-P203 VanDerWaalsContact OE1-CG 3.27Å; E183-P203 WeakPolarHBondContact OE1-CG 3.31Å
184	L	92.5	Very high	82.2	Confident	38 Å²	38	56.7 Å²	56.7	20%	0.199	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135.7	-170	-59.6	-174.5	0	0	0	111.5	E174 L177 Q178 L198 K199 I200	E174-L184 HydrophobicContact CB-CD1 4.03Å; E174-L184 HydrophobicContact CG-CD1 4.3Å; E174-L184 WeakPolarHBondContact O-CD1 3.44Å; L177-L184 HydrophobicContact CB-CD1 4.13Å; Q178-L184 HydrophobicContact CG-CD1 3.85Å; Q178-L184 HydrophobicContact CG-CG 4.18Å; L184-L198 HydrophobicContact CB-CD1 4.11Å; L184-L198 HydrophobicContact CD1-CD1 4.46Å; L184-K199 WeakPolarHBondContact CA-O 3.32Å; L184-I200 HydrophobicContact CD2-CB 4.31Å; L184-I200 HydrophobicContact CD2-CD1 4.35Å; L184-I200 HydrophobicContact CD2-CG1 3.79Å; L184-I200 HydrophobicContact CD2-CG2 4.13Å
185	E	90.6	Very high	81.9	Confident	36 Å²	36	58.1 Å²	58.1	17%	0.168	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	119.8	172	-166.5	-161.3	152.7	0	0	110.5	F94 S95 K199	F94-E185 VanDerWaalsContact CA-OE2 3.29Å; F94-E185 WeakPolarHBondContact CA-OE2 3.46Å; F94-E185 VanDerWaalsContact CB-OE2 3.3Å; F94-E185 WeakPolarHBondContact CB-OE2 3.47Å; F94-E185 HydrophobicContact CD2-CB 3.83Å; F94-E185 HydrophobicContact CD2-CG 4.46Å; F94-E185 WeakPolarHBondContact CD2-OE2 3.44Å; F94-E185 HydrophobicContact CE2-CB 3.61Å; F94-E185 HydrophobicContact CG-CB 4.46Å; F94-E185 VanDerWaalsContact CG-OE2 3.28Å; F94-E185 WeakPolarHBondContact CG-OE2 3.49Å; F94-E185 HydrophobicContact CZ-CB 4.06Å; S95-E185 VanDerWaalsContact CB-OE1 3.31Å; S95-E185 WeakPolarHBondContact CB-OE1 3.35Å; S95-E185 PolarHBondContact N-OE2 3.35Å; S95-E185 VanDerWaalsContact N-OE2 3.14Å; S95-E185 PolarHBondContact OG-OE1 2.79Å; E185-K199 HydrophobicContact CB-CB 4.36Å; E185-K199 PolarHBondContact N-O 3.33Å; E185-K199 PolarHBondContact O-N 3.12Å; E185-K199 IonicContact OE1-NZ 3.35Å; E185-K199 PolarHBondContact OE1-NZ 2.84Å; E185-K199 WeakPolarHBondContact OE2-CE 3.24Å; E185-K199 IonicContact OE2-NZ 2.78Å; E185-K199 PolarHBondContact OE2-NZ 3.19Å
186	K	88.4	Confident	81.7	Confident	94 Å²	94	53 Å²	53	41%	0.409	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132.9	176.3	-69.3	-178.8	178.5	-176.5	0	111.1	E174 L198	E174-K186 WeakPolarHBondContact OE2-CE 3.17Å; E174-K186 IonicContact OE2-NZ 2.73Å; E174-K186 PolarHBondContact OE2-NZ 3.14Å; K186-L198 HydrophobicContact CG-CD1 3.65Å
187	D	83.7	Confident	81.7	Confident	20 Å²	20	51.5 Å²	51.5	11%	0.107	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	104.3	164.4	-173.5	2	0	0	0	109.9	G189 G190 F197 K727 Y729	D187-G189 WeakPolarHBondContact OD1-CA 3.49Å; D187-G189 PolarHBondContact OD1-N 2.94Å; D187-G190 PolarHBondContact OD1-N 3.34Å; D187-F197 PolarHBondContact N-O 3.1Å; D187-F197 PolarHBondContact O-N 2.6Å; D187-K727 IonicContact OD2-NZ 3.5Å; D187-K727 PolarHBondContact OD2-NZ 2.95Å; D187-Y729 PolarHBondContact OD2-OH 3.35Å
188	E	78.1	Confident	81.8	Confident	106 Å²	106	51.5 Å²	51.5	50%	0.495	29%	0.294	S	S	.	.			trans	-102	-1.8	174.7	-53	-162.6	148.3	0	0	112	Y107 I109 G190	Y107-E188 WeakPolarHBondContact CE2-OE1 3.4Å; Y107-E188 PolarHBondContact OH-OE1 3.3Å; I109-E188 HydrophobicContact CD1-CB 3.62Å; I109-E188 HydrophobicContact CD1-CG 3.56Å; E188-G190 VanDerWaalsContact C-N 3.33Å
189	G	63	Low	81.9	Confident	66 Å²	66	46.2 Å²	46.2	68%	0.68	27%	0.27	S	S	*	.			trans	-90.7	8.8	177.6	0	0	0	0	0	113.9	D187	D187-G189 WeakPolarHBondContact OD1-CA 3.49Å; D187-G189 PolarHBondContact OD1-N 2.94Å
190	G	64.3	Low	82.1	Confident	12 Å²	12	39.9 Å²	39.9	12%	0.124	24%	0.24	C	C	.	.			trans	-54.2	151.5	-177.8	0	0	0	0	0	114.2	D187 E188 I192	D187-G190 PolarHBondContact OD1-N 3.34Å; E188-G190 VanDerWaalsContact C-N 3.33Å; G190-I192 PolarHBondContact O-N 3.12Å
191	K	65.8	Low	82.4	Confident	109 Å²	109	38.5 Å²	38.5	47%	0.474	23%	0.233	S	C	.	.	S	Bend	trans	-72.9	-19.6	-179.8	-69.4	175.7	172.4	176.1	0	112.3	A193 L722 T725 L726 E730	K191-A193 PolarHBondContact O-N 3.43Å; K191-L722 HydrophobicContact CB-CD1 4.28Å; K191-L722 HydrophobicContact CD-CD1 3.9Å; K191-T725 PolarHBondContact NZ-O 3.49Å; K191-T725 PolarHBondContact NZ-OG1 3.33Å; K191-L726 HydrophobicContact CB-CD2 3.88Å; K191-L726 HydrophobicContact CD-CD2 4.29Å; K191-E730 PolarHBondContact N-OE1 2.86Å
192	I	66.4	Low	82.6	Confident	41 Å²	41	37.1 Å²	37.1	21%	0.21	22%	0.218	C	C	.	.	S	Bend	trans	-81	102.5	173.7	-58.2	177.3	0	0	0	108.9	G190 G194 I195 F197 L726 E730 V734	G190-I192 PolarHBondContact O-N 3.12Å; I192-G194 PolarHBondContact O-N 3.34Å; I192-I195 HydrophobicContact CG2-CB 4.43Å; I192-I195 HydrophobicContact CG2-CD1 3.97Å; I192-I195 HydrophobicContact CG2-CG1 4.37Å; I192-F197 HydrophobicContact CD1-CZ 4.24Å; I192-L726 HydrophobicContact CG1-CD2 4.41Å; I192-E730 HydrophobicContact CD1-CB 3.95Å; I192-V734 HydrophobicContact CD1-CG2 4.33Å
193	A	66.4	Low	82.6	Confident	91 Å²	91	38 Å²	38	75%	0.752	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	122.9	-173.8	0	0	0	0	0	113.1	K191	K191-A193 PolarHBondContact O-N 3.43Å
194	G	71.5	Confident	82.4	Confident	30 Å²	30	37.7 Å²	37.7	31%	0.309	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	13	172.8	0	0	0	0	0	115.6	I109 I192	I109-G194 PolarHBondContact N-O 3.16Å; I109-G194 VanDerWaalsContact O-CA 3.3Å; I109-G194 WeakPolarHBondContact O-CA 3.31Å; I192-G194 PolarHBondContact O-N 3.34Å
195	I	83.4	Confident	82.2	Confident	38 Å²	38	39.2 Å²	39.2	20%	0.195	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	128.3	176.9	-61.9	-177.1	0	0	0	109.8	T106 Y107 I192 F197	T106-I195 HydrophobicContact CG2-CG2 4.45Å; Y107-I195 CarbonylContact O-C 3.37Å; Y107-I195 WeakPolarHBondContact O-CA 3.29Å; I192-I195 HydrophobicContact CG2-CB 4.43Å; I192-I195 HydrophobicContact CG2-CD1 3.97Å; I192-I195 HydrophobicContact CG2-CG1 4.37Å; I195-F197 HydrophobicContact CB-CE2 4.43Å; I195-F197 HydrophobicContact CG2-CD2 4.45Å; I195-F197 HydrophobicContact CG2-CE2 3.93Å; I195-F197 HydrophobicContact CG2-CZ 3.96Å
196	G	85.5	Confident	82.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	145.6	169	0	0	0	0	0	111.6	T106 Y107 I109	T106-G196 VanDerWaalsContact CA-O 3.31Å; T106-G196 WeakPolarHBondContact CA-O 3.33Å; Y107-G196 PolarHBondContact N-O 2.88Å; Y107-G196 PolarHBondContact O-N 3.2Å; I109-G196 VanDerWaalsContact CD1-CA 3.45Å
197	F	89.4	Confident	82.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.5	177.6	-66.3	-91.8	0	0	0	110.2	V104 T106 D187 I192 I195 Y729 E730 H733	V104-F197 HydrophobicContact CG1-CD1 4.1Å; T106-F197 HydrophobicContact CG2-CD1 3.51Å; T106-F197 HydrophobicContact CG2-CE1 3.59Å; T106-F197 HydrophobicContact CG2-CG 4.4Å; D187-F197 PolarHBondContact N-O 3.1Å; D187-F197 PolarHBondContact O-N 2.6Å; I192-F197 HydrophobicContact CD1-CZ 4.24Å; I195-F197 HydrophobicContact CB-CE2 4.43Å; I195-F197 HydrophobicContact CG2-CD2 4.45Å; I195-F197 HydrophobicContact CG2-CE2 3.93Å; I195-F197 HydrophobicContact CG2-CZ 3.96Å; F197-Y729 HydrophobicContact CB-CD2 4.09Å; F197-Y729 HydrophobicContact CB-CE2 4.06Å; F197-Y729 AromaticContact CD1-CD2 3.64Å; F197-Y729 HydrophobicContact CD1-CD2 3.64Å; F197-Y729 HydrophobicContact CD1-CE2 4.36Å; F197-Y729 HydrophobicContact CD2-CD2 4.33Å; F197-Y729 HydrophobicContact CD2-CE2 4.33Å; F197-Y729 HydrophobicContact CE1-CD2 4.14Å; F197-Y729 AromaticContact CG-CD2 3.76Å; F197-Y729 HydrophobicContact CG-CD2 3.76Å; F197-Y729 AromaticContact CG-CE2 4Å; F197-Y729 HydrophobicContact CG-CE2 4Å; F197-E730 HydrophobicContact CE2-CG 4.28Å; F197-E730 HydrophobicContact CZ-CG 4.28Å; F197-H733 HydrophobicContact CE1-CB 3.99Å; F197-H733 HydrophobicContact CZ-CB 4.25Å
198	L	91	Very high	82.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113	170.3	-179.1	71.5	0	0	0	108.6	V104 L105 Y107 E174 L184 K186	V104-L198 WeakPolarHBondContact CA-O 3.35Å; L105-L198 HydrophobicContact CB-CB 4.3Å; L105-L198 HydrophobicContact CB-CD2 4.49Å; L105-L198 HydrophobicContact CD1-CD2 4.19Å; L105-L198 PolarHBondContact N-O 3Å; L105-L198 PolarHBondContact O-N 2.88Å; Y107-L198 HydrophobicContact CE1-CB 4.27Å; E174-L198 HydrophobicContact CG-CD2 3.85Å; L184-L198 HydrophobicContact CB-CD1 4.11Å; L184-L198 HydrophobicContact CD1-CD1 4.46Å; K186-L198 HydrophobicContact CG-CD1 3.65Å
199	K	91.8	Very high	83	Confident	6 Å²	6	31.4 Å²	31.4	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	137.8	174.6	-67.4	171.5	-80.2	166	0	109.6	F94 V101 V104 L184 E185 Y729	F94-K199 HydrophobicContact CE1-CB 3.97Å; F94-K199 HydrophobicContact CZ-CB 4.34Å; V101-K199 HydrophobicContact CG1-CB 4.09Å; V101-K199 HydrophobicContact CG1-CG 4.14Å; V101-K199 HydrophobicContact CG2-CB 4.2Å; V101-K199 HydrophobicContact CG2-CD 3.89Å; V101-K199 HydrophobicContact CG2-CG 4.13Å; V104-K199 HydrophobicContact CG2-CG 4.36Å; L184-K199 WeakPolarHBondContact CA-O 3.32Å; E185-K199 HydrophobicContact CB-CB 4.36Å; E185-K199 PolarHBondContact N-O 3.33Å; E185-K199 PolarHBondContact O-N 3.12Å; E185-K199 IonicContact OE1-NZ 3.35Å; E185-K199 PolarHBondContact OE1-NZ 2.84Å; E185-K199 WeakPolarHBondContact OE2-CE 3.24Å; E185-K199 IonicContact OE2-NZ 2.78Å; E185-K199 PolarHBondContact OE2-NZ 3.19Å; K199-Y729 HydrophobicContact CD-CD1 4.28Å; K199-Y729 HydrophobicContact CD-CE1 3.8Å
200	I	93.2	Very high	84.2	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133.5	-178.3	-51.3	-175	0	0	0	109.5	D102 Y103 L105 L182 E183 L184 V292 L296	D102-I200 PolarHBondContact N-O 3.38Å; Y103-I200 PolarHBondContact N-O 3.43Å; Y103-I200 PolarHBondContact O-N 3.29Å; L105-I200 HydrophobicContact CD1-CD1 4.19Å; L105-I200 HydrophobicContact CG-CD1 4.02Å; L182-I200 HydrophobicContact CB-CG2 4.32Å; L182-I200 HydrophobicContact CD1-CG2 4.14Å; E183-I200 WeakPolarHBondContact O-CA 3.48Å; L184-I200 HydrophobicContact CD2-CB 4.31Å; L184-I200 HydrophobicContact CD2-CD1 4.35Å; L184-I200 HydrophobicContact CD2-CG1 3.79Å; L184-I200 HydrophobicContact CD2-CG2 4.13Å; I200-V292 HydrophobicContact CG2-CG1 3.95Å; I200-L296 HydrophobicContact CD1-CD1 4.24Å; I200-L296 HydrophobicContact CD1-CD2 3.98Å
201	H	92.7	Very high	85.2	Confident	22 Å²	22	27.7 Å²	27.7	10%	0.102	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.9	171	176.5	69.8	0	0	0	110.3	F94 R100 D102 E183 R288	F94-H201 HydrophobicContact CE1-CB 3.68Å; F94-H201 HydrophobicContact CE2-CB 4.21Å; F94-H201 HydrophobicContact CZ-CB 3.51Å; R100-H201 PolarHBondContact O-ND1 3.09Å; D102-H201 IonicContact OD2-ND1 3.87Å; E183-H201 HydrophobicContact CB-CB 4.24Å; E183-H201 PolarHBondContact N-O 2.91Å; E183-H201 PolarHBondContact O-N 3.19Å; E183-H201 IonicContact OE2-CD2 3.96Å; H201-R288 PolarHBondContact CE1-NH2 3.01Å
202	A	92.1	Very high	86.1	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.153	C	C	.	.			trans	-103.9	112.7	172	0	0	0	0	0	111.4	D102 L182 L207 R288 V292	D102-A202 PolarHBondContact OD2-N 3.25Å; L182-A202 HydrophobicContact CD2-CB 3.86Å; A202-L207 HydrophobicContact CB-CD1 4.4Å; A202-L207 HydrophobicContact CB-CD2 3.67Å; A202-L207 HydrophobicContact CB-CG 3.84Å; A202-L207 WeakPolarHBondContact O-CD1 3.22Å; A202-R288 PolarHBondContact O-NH2 3.19Å; A202-V292 HydrophobicContact CB-CG2 3.66Å
203	P	92.1	Very high	86.9	Confident	25 Å²	25	27.3 Å²	27.3	16%	0.162	16%	0.163	C	C	.	.			trans	-64.1	153.4	173.5	-24.2	36.5	0	0	0	112.2	G181 E183 A205 V206 L207	G181-P203 WeakPolarHBondContact O-CD 3.25Å; E183-P203 HydrophobicContact CG-CG 3.88Å; E183-P203 VanDerWaalsContact OE1-CG 3.27Å; E183-P203 WeakPolarHBondContact OE1-CG 3.31Å; P203-A205 PolarHBondContact O-N 3.5Å; P203-A205 VanDerWaalsContact O-N 3.12Å; P203-V206 PolarHBondContact O-N 3.24Å; P203-L207 PolarHBondContact O-N 3.48Å
204	W	88.5	Confident	87.4	Confident	57 Å²	57	24.6 Å²	24.6	22%	0.216	14%	0.135	C	C	.	.	H	α-helix	trans	-50.7	-40.1	-179.5	178.8	-97.4	0	0	0	113.5	V206 L207 C208 L276 R279 F282 F283	W204-V206 PolarHBondContact O-N 3.11Å; W204-L207 PolarHBondContact O-N 3.24Å; W204-C208 PolarHBondContact NE1-SG 3.36Å; W204-C208 VanDerWaalsContact NE1-SG 3.43Å; W204-C208 PolarHBondContact O-N 3.49Å; W204-C208 PolarHBondContact O-SG 3.32Å; W204-C208 VanDerWaalsContact O-SG 3.34Å; W204-L276 HydrophobicContact CH2-CD2 3.8Å; W204-L276 HydrophobicContact CZ2-CD2 3.86Å; W204-R279 HydrophobicContact CE3-CB 4.3Å; W204-R279 HydrophobicContact CH2-CB 4.46Å; W204-R279 HydrophobicContact CH2-CG 4.37Å; W204-R279 HydrophobicContact CZ2-CG 4.47Å; W204-R279 HydrophobicContact CZ3-CB 4.12Å; W204-R279 HydrophobicContact CZ3-CG 4.48Å; W204-R279 VanDerWaalsContact CZ3-O 3.24Å; W204-R279 WeakPolarHBondContact CZ3-O 3.49Å; W204-F282 HydrophobicContact CH2-CB 4.15Å; W204-F282 AromaticContact CH2-CD1 3.57Å; W204-F282 HydrophobicContact CH2-CD1 3.57Å; W204-F282 HydrophobicContact CH2-CE1 4.28Å; W204-F282 HydrophobicContact CH2-CG 4.1Å; W204-F282 HydrophobicContact CZ3-CB 4.24Å; W204-F282 HydrophobicContact CZ3-CD1 4.05Å; W204-F283 AromaticContact CE3-CD2 3.89Å; W204-F283 HydrophobicContact CE3-CD2 3.89Å; W204-F283 AromaticContact CE3-CE2 3.96Å; W204-F283 HydrophobicContact CE3-CE2 3.96Å; W204-F283 HydrophobicContact CH2-CD2 4.1Å; W204-F283 AromaticContact CH2-CE2 3.81Å; W204-F283 HydrophobicContact CH2-CE2 3.81Å; W204-F283 HydrophobicContact CZ2-CE2 4.44Å; W204-F283 AromaticContact CZ3-CD2 3.43Å; W204-F283 HydrophobicContact CZ3-CD2 3.43Å; W204-F283 VanDerWaalsContact CZ3-CD2 3.43Å; W204-F283 AromaticContact CZ3-CE2 3.54Å; W204-F283 HydrophobicContact CZ3-CE2 3.54Å
205	A	88.8	Confident	87.8	Confident	70 Å²	70	28.3 Å²	28.3	58%	0.579	14%	0.143	S	C	*	.	H	α-helix	trans	-63.8	-36.7	179.1	0	0	0	0	0	113.5	P203 R209	P203-A205 PolarHBondContact O-N 3.5Å; P203-A205 VanDerWaalsContact O-N 3.12Å; A205-R209 PolarHBondContact O-N 2.91Å
206	V	90.1	Very high	87.6	Confident	8 Å²	8	27.1 Å²	27.1	5%	0.048	14%	0.137	C	C	.	.	H	α-helix	trans	-72.8	-46.5	174.7	174.7	0	0	0	0	110	G181 L182 P203 W204 C208 R209 E210	G181-V206 WeakPolarHBondContact O-CG2 3.07Å; L182-V206 HydrophobicContact CD2-CG1 4.06Å; P203-V206 PolarHBondContact O-N 3.24Å; W204-V206 PolarHBondContact O-N 3.11Å; V206-C208 VanDerWaalsContact C-N 3.3Å; V206-C208 PolarHBondContact O-N 3.13Å; V206-R209 PolarHBondContact O-N 3.24Å; V206-R209 VanDerWaalsContact O-N 3.09Å; V206-E210 HydrophobicContact CG1-CG 4.01Å; V206-E210 WeakPolarHBondContact O-CG 3.48Å; V206-E210 PolarHBondContact O-N 2.59Å
207	L	89.8	Confident	87.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-54.8	-45	177.1	-69.2	171	0	0	0	111.9	A202 P203 W204 A211 F283 R288 I291	A202-L207 HydrophobicContact CB-CD1 4.4Å; A202-L207 HydrophobicContact CB-CD2 3.67Å; A202-L207 HydrophobicContact CB-CG 3.84Å; A202-L207 WeakPolarHBondContact O-CD1 3.22Å; P203-L207 PolarHBondContact O-N 3.48Å; W204-L207 PolarHBondContact O-N 3.24Å; L207-A211 WeakPolarHBondContact O-CB 3.48Å; L207-A211 PolarHBondContact O-N 3.43Å; L207-F283 HydrophobicContact CB-CD2 3.94Å; L207-F283 HydrophobicContact CB-CE2 3.76Å; L207-F283 HydrophobicContact CB-CZ 4.3Å; L207-F283 HydrophobicContact CD1-CD2 4.04Å; L207-R288 HydrophobicContact CD1-CG 4.26Å; L207-R288 VanDerWaalsContact CD1-NH1 3.32Å; L207-R288 HydrophobicContact CD2-CB 4.42Å; L207-R288 HydrophobicContact CD2-CG 4.27Å; L207-I291 HydrophobicContact CD2-CB 4.22Å; L207-I291 HydrophobicContact CD2-CD1 3.77Å; L207-I291 HydrophobicContact CD2-CG2 4.01Å
208	C	88.9	Confident	86.9	Confident	3 Å²	3	30.9 Å²	30.9	2%	0.02	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-44.8	175.1	-69	0	0	0	0	113.2	W204 V206 E212 F266	W204-C208 PolarHBondContact NE1-SG 3.36Å; W204-C208 VanDerWaalsContact NE1-SG 3.43Å; W204-C208 PolarHBondContact O-N 3.49Å; W204-C208 PolarHBondContact O-SG 3.32Å; W204-C208 VanDerWaalsContact O-SG 3.34Å; V206-C208 VanDerWaalsContact C-N 3.3Å; V206-C208 PolarHBondContact O-N 3.13Å; C208-E212 WeakPolarHBondContact O-CB 3.35Å; C208-E212 PolarHBondContact O-N 3.03Å; C208-F266 HydrophobicContact CB-CE1 3.85Å; C208-F266 HydrophobicContact CB-CZ 4.14Å; C208-F266 WeakPolarHBondContact O-CE1 3.32Å
209	R	88.3	Confident	86.4	Confident	81 Å²	81	33.3 Å²	33.3	31%	0.306	17%	0.169	S	C	.	.	H	α-helix	trans	-61.3	-47.4	179.8	-175.3	-174.6	71	-150.4	-6.9	111.2	M180 A205 V206 I213	M180-R209 PolarHBondContact O-NH1 2.69Å; M180-R209 VanDerWaalsContact O-NH1 3.11Å; M180-R209 PolarHBondContact O-NH2 3.01Å; M180-R209 PolarHBondContact SD-NH2 3.22Å; A205-R209 PolarHBondContact O-N 2.91Å; V206-R209 PolarHBondContact O-N 3.24Å; V206-R209 VanDerWaalsContact O-N 3.09Å; R209-I213 HydrophobicContact CG-CD1 4.14Å; R209-I213 WeakPolarHBondContact O-CD1 3.5Å; R209-I213 WeakPolarHBondContact O-CG1 3.48Å; R209-I213 PolarHBondContact O-N 3.01Å
210	E	87.6	Confident	85.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-76.7	-33.7	-177.4	-57.1	-52.6	145.5	0	0	112.6	M180 V206 E212 I213 M214 I291 V295 R298	M180-E210 VanDerWaalsContact CE-OE1 3.26Å; M180-E210 WeakPolarHBondContact CE-OE1 3.32Å; V206-E210 HydrophobicContact CG1-CG 4.01Å; V206-E210 WeakPolarHBondContact O-CG 3.48Å; V206-E210 PolarHBondContact O-N 2.59Å; E210-E212 VanDerWaalsContact C-N 3.26Å; E210-E212 PolarHBondContact O-N 2.66Å; E210-I213 PolarHBondContact O-N 2.95Å; E210-M214 VanDerWaalsContact O-CB 3.28Å; E210-M214 WeakPolarHBondContact O-CB 3.47Å; E210-M214 VanDerWaalsContact O-CG 3.25Å; E210-M214 WeakPolarHBondContact O-CG 3.47Å; E210-M214 PolarHBondContact O-N 3.21Å; E210-I291 HydrophobicContact CB-CG2 3.52Å; E210-I291 HydrophobicContact CG-CG2 4.11Å; E210-V295 HydrophobicContact CB-CG2 4.47Å; E210-V295 HydrophobicContact CG-CG2 3.63Å; E210-R298 IonicContact OE2-CZ 2.83Å; E210-R298 IonicContact OE2-NH1 2.89Å; E210-R298 PolarHBondContact OE2-NH1 3.43Å; E210-R298 IonicContact OE2-NH2 2.74Å
211	A	86.1	Confident	84.8	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.7	-36.3	173.3	0	0	0	0	0	112.4	L207 M214 K215 L216 F266 F283 I291	L207-A211 WeakPolarHBondContact O-CB 3.48Å; L207-A211 PolarHBondContact O-N 3.43Å; A211-M214 CarbonylContact O-C 3.6Å; A211-K215 PolarHBondContact O-N 3.45Å; A211-K215 VanDerWaalsContact O-N 3.12Å; A211-L216 HydrophobicContact CB-CB 4.31Å; A211-L216 HydrophobicContact CB-CD1 3.8Å; A211-L216 HydrophobicContact CB-CG 4.16Å; A211-L216 PolarHBondContact O-N 3.04Å; A211-F266 HydrophobicContact CB-CB 4.5Å; A211-F266 HydrophobicContact CB-CD1 3.83Å; A211-F266 HydrophobicContact CB-CE1 4.42Å; A211-F266 HydrophobicContact CB-CG 4.3Å; A211-F283 HydrophobicContact CB-CE1 3.88Å; A211-F283 HydrophobicContact CB-CZ 4Å; A211-I291 HydrophobicContact CB-CD1 4.44Å
212	E	85.3	Confident	83.7	Confident	60 Å²	60	41.3 Å²	41.3	28%	0.28	21%	0.205	S	C	.	.	H	α-helix	trans	-69.7	-46.3	174.2	179.9	164.3	-124.7	0	0	111.9	C208 E210 M214 K215 F266 S267 K268	C208-E212 WeakPolarHBondContact O-CB 3.35Å; C208-E212 PolarHBondContact O-N 3.03Å; E210-E212 VanDerWaalsContact C-N 3.26Å; E210-E212 PolarHBondContact O-N 2.66Å; E212-M214 VanDerWaalsContact C-N 3.26Å; E212-M214 PolarHBondContact O-N 3.47Å; E212-K215 PolarHBondContact O-N 3.44Å; E212-F266 WeakPolarHBondContact CA-O 3.45Å; E212-F266 HydrophobicContact CB-CD1 4.36Å; E212-S267 WeakPolarHBondContact OE1-CA 3.18Å; E212-S267 VanDerWaalsContact OE1-CB 3.22Å; E212-S267 WeakPolarHBondContact OE1-CB 3.49Å; E212-S267 PolarHBondContact OE1-OG 2.67Å; E212-K268 VanDerWaalsContact CD-N 3.29Å; E212-K268 PolarHBondContact OE1-N 2.96Å; E212-K268 WeakPolarHBondContact OE2-CB 3.39Å; E212-K268 PolarHBondContact OE2-N 3.19Å
213	I	82.2	Confident	82.8	Confident	83 Å²	83	45 Å²	45	43%	0.426	23%	0.227	S	C	.	.	H	α-helix	trans	-62.3	-34.1	175.5	-62.8	162.4	0	0	0	111.7	R209 E210 K215	R209-I213 HydrophobicContact CG-CD1 4.14Å; R209-I213 WeakPolarHBondContact O-CD1 3.5Å; R209-I213 WeakPolarHBondContact O-CG1 3.48Å; R209-I213 PolarHBondContact O-N 3.01Å; E210-I213 PolarHBondContact O-N 2.95Å; I213-K215 VanDerWaalsContact C-N 3.31Å
214	M	76.6	Confident	81.5	Confident	33 Å²	33	45 Å²	45	16%	0.163	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	4.1	175.3	-66.5	176.5	69.4	0	0	113.9	E210 A211 E212 L216 I291 E294	E210-M214 VanDerWaalsContact O-CB 3.28Å; E210-M214 WeakPolarHBondContact O-CB 3.47Å; E210-M214 VanDerWaalsContact O-CG 3.25Å; E210-M214 WeakPolarHBondContact O-CG 3.47Å; E210-M214 PolarHBondContact O-N 3.21Å; A211-M214 CarbonylContact O-C 3.6Å; E212-M214 VanDerWaalsContact C-N 3.26Å; E212-M214 PolarHBondContact O-N 3.47Å; M214-L216 HydrophobicContact CB-CD2 3.89Å; M214-L216 HydrophobicContact CB-CG 3.99Å; M214-L216 HydrophobicContact CE-CD2 4.28Å; M214-L216 PolarHBondContact O-N 3.29Å; M214-L216 VanDerWaalsContact O-N 3.1Å; M214-I291 HydrophobicContact SD-CG1 4.05Å; M214-E294 HydrophobicContact CE-CB 4.24Å; M214-E294 HydrophobicContact CE-CG 3.76Å; M214-E294 HydrophobicContact SD-CB 4.13Å; M214-E294 HydrophobicContact SD-CG 4.32Å
215	K	79.9	Confident	80.2	Confident	109 Å²	109	48.2 Å²	48.2	47%	0.474	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.7	44.3	-174.9	-63.3	-174	179.2	-174.5	0	113.4	A211 E212 I213 K217 P265 E488	A211-K215 PolarHBondContact O-N 3.45Å; A211-K215 VanDerWaalsContact O-N 3.12Å; E212-K215 PolarHBondContact O-N 3.44Å; I213-K215 VanDerWaalsContact C-N 3.31Å; K215-K217 PolarHBondContact O-N 3.11Å; K215-K217 VanDerWaalsContact O-N 3.14Å; K215-P265 HydrophobicContact CB-CB 4.38Å; K215-E488 VanDerWaalsContact CD-OE2 3.22Å; K215-E488 WeakPolarHBondContact CD-OE2 3.34Å; K215-E488 WeakPolarHBondContact CE-OE2 3.46Å; K215-E488 IonicContact NZ-OE1 3.79Å; K215-E488 IonicContact NZ-OE2 3.78Å; K215-E488 PolarHBondContact NZ-OE2 3.12Å
216	L	79.3	Confident	78.8	Confident	13 Å²	13	45.9 Å²	45.9	7%	0.068	22%	0.22	C	C	.	.			trans	-62.9	118.7	-176	-64.9	-171.1	0	0	0	110.3	A211 M214 M218 F266 I291	A211-L216 HydrophobicContact CB-CB 4.31Å; A211-L216 HydrophobicContact CB-CD1 3.8Å; A211-L216 HydrophobicContact CB-CG 4.16Å; A211-L216 PolarHBondContact O-N 3.04Å; M214-L216 HydrophobicContact CB-CD2 3.89Å; M214-L216 HydrophobicContact CB-CG 3.99Å; M214-L216 HydrophobicContact CE-CD2 4.28Å; M214-L216 PolarHBondContact O-N 3.29Å; M214-L216 VanDerWaalsContact O-N 3.1Å; L216-M218 HydrophobicContact CB-CG 4.46Å; L216-M218 HydrophobicContact CB-SD 4.39Å; L216-M218 PolarHBondContact O-N 3.18Å; L216-F266 VanDerWaalsContact O-CB 3.25Å; L216-F266 WeakPolarHBondContact O-CB 3.33Å; L216-F266 PolarHBondContact O-N 2.7Å; L216-I291 HydrophobicContact CD1-CD1 3.81Å; L216-I291 HydrophobicContact CD1-CG1 3.98Å
217	K	79.1	Confident	77.1	Confident	64 Å²	64	53.5 Å²	53.5	28%	0.278	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	121.1	170.4	-73.3	-174.7	178.5	-179.8	0	109.8	K215 L264 D481 D484	K215-K217 PolarHBondContact O-N 3.11Å; K215-K217 VanDerWaalsContact O-N 3.14Å; K217-L264 VanDerWaalsContact CA-O 3.31Å; K217-L264 WeakPolarHBondContact CA-O 3.49Å; K217-D481 HydrophobicContact CD-CB 3.68Å; K217-D481 WeakPolarHBondContact CD-O 3.47Å; K217-D481 PolarHBondContact NZ-O 3.07Å; K217-D484 IonicContact NZ-OD2 3.93Å; K217-D484 PolarHBondContact NZ-OD2 3.49Å
218	M	81	Confident	75.2	Confident	14 Å²	14	57 Å²	57	7%	0.069	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	152	-179.6	-61.4	-58.9	-76.1	0	0	110	L216 S263 L264 F266 F274 F282 F283	L216-M218 HydrophobicContact CB-CG 4.46Å; L216-M218 HydrophobicContact CB-SD 4.39Å; L216-M218 PolarHBondContact O-N 3.18Å; M218-S263 VanDerWaalsContact O-CA 3.32Å; M218-S263 WeakPolarHBondContact O-CA 3.36Å; M218-L264 PolarHBondContact N-O 2.99Å; M218-L264 PolarHBondContact O-N 3.01Å; M218-L264 VanDerWaalsContact O-N 3.1Å; M218-F266 HydrophobicContact CB-CD2 4.4Å; M218-F266 HydrophobicContact CG-CB 3.91Å; M218-F266 HydrophobicContact CG-CD2 4.07Å; M218-F266 HydrophobicContact CG-CG 4.34Å; M218-F274 HydrophobicContact CB-CD1 3.8Å; M218-F274 HydrophobicContact CB-CE1 3.88Å; M218-F274 WeakPolarHBondContact O-CE1 3.49Å; M218-F282 HydrophobicContact CB-CE2 4.44Å; M218-F282 HydrophobicContact CB-CZ 3.82Å; M218-F282 HydrophobicContact CE-CD1 3.79Å; M218-F282 HydrophobicContact CE-CD2 4.46Å; M218-F282 HydrophobicContact CE-CE1 3.46Å; M218-F282 VanDerWaalsContact CE-CE1 3.46Å; M218-F282 HydrophobicContact CE-CE2 4.17Å; M218-F282 HydrophobicContact CE-CG 4.3Å; M218-F282 HydrophobicContact CE-CZ 3.68Å; M218-F282 VanDerWaalsContact CE-O 3.24Å; M218-F282 WeakPolarHBondContact CE-O 3.49Å; M218-F282 HydrophobicContact CG-CE1 4.32Å; M218-F282 HydrophobicContact CG-CZ 4.07Å; M218-F283 HydrophobicContact CE-CD1 3.77Å; M218-F283 HydrophobicContact CE-CE1 3.85Å; M218-F283 HydrophobicContact SD-CE1 4.43Å
219	P	80.3	Confident	73.2	Confident	52 Å²	52	59.7 Å²	59.7	34%	0.338	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132	-178.3	28.8	-35.1	0	0	0	112	S261 D275	P219-S261 WeakPolarHBondContact CB-OG 3.31Å; P219-D275 PolarHBondContact O-N 2.89Å
220	T	78.5	Confident	71.7	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.018	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	166.7	170.6	66.2	0	0	0	0	111.4	Q222 L262 L264 L273 F274	T220-Q222 PolarHBondContact O-N 2.85Å; T220-Q222 PolarHBondContact OG1-N 3.06Å; T220-Q222 PolarHBondContact OG1-O 3.18Å; T220-L262 WeakPolarHBondContact CB-O 3.27Å; T220-L262 WeakPolarHBondContact CG2-O 3.36Å; T220-L262 PolarHBondContact N-O 3.35Å; T220-L262 PolarHBondContact OG1-O 3.19Å; T220-L264 HydrophobicContact CG2-CB 3.93Å; T220-L264 HydrophobicContact CG2-CD1 3.64Å; T220-L264 HydrophobicContact CG2-CG 3.74Å; T220-L273 VanDerWaalsContact CA-O 3.27Å; T220-L273 WeakPolarHBondContact CA-O 3.27Å; T220-L273 VanDerWaalsContact CB-O 3.3Å; T220-L273 WeakPolarHBondContact CB-O 3.29Å; T220-F274 HydrophobicContact CG2-CD1 4.47Å; T220-F274 HydrophobicContact CG2-CE1 4.36Å
221	K	74.4	Confident	70.3	Confident	126 Å²	126	65.4 Å²	65.4	55%	0.548	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	-20.9	170.7	-68.4	170	178.8	158.1	0	113.3	H272 L273 F274 D275	K221-H272 PolarHBondContact NZ-O 2.91Å; K221-L273 PolarHBondContact N-O 3.37Å; K221-F274 VanDerWaalsContact CE-O 3.25Å; K221-F274 WeakPolarHBondContact CE-O 3.48Å; K221-D275 HydrophobicContact CG-CB 4.16Å
222	Q	69.8	Low	68.9	Low	67 Å²	67	71.4 Å²	71.4	31%	0.313	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124	-179.6	-157.2	-173.1	33.3	0	0	110.7	T220 L262	T220-Q222 PolarHBondContact O-N 2.85Å; T220-Q222 PolarHBondContact OG1-N 3.06Å; T220-Q222 PolarHBondContact OG1-O 3.18Å; Q222-L262 PolarHBondContact O-N 3.28Å
223	V	71.8	Confident	67.7	Low	77 Å²	77	72.8 Å²	72.8	47%	0.467	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.6	-178.7	-158.7	0	0	0	0	108	V259 K260	V223-V259 HydrophobicContact CG1-CG1 3.31Å; V223-K260 WeakPolarHBondContact CG1-O 3.33Å
224	Y	66.3	Low	66.7	Low	24 Å²	24	73.4 Å²	73.4	9%	0.094	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148	-175.4	68.5	-97.3	0	0	0	112.6	V226 K260 L262 Y478 E939 L942	Y224-V226 HydrophobicContact CD2-CG2 4.31Å; Y224-V226 HydrophobicContact CE2-CG2 3.9Å; Y224-V226 PolarHBondContact O-N 3.02Å; Y224-K260 WeakPolarHBondContact CD1-O 3.48Å; Y224-K260 HydrophobicContact CE1-CB 4.48Å; Y224-K260 HydrophobicContact CE2-CB 4.49Å; Y224-K260 PolarHBondContact N-O 3.29Å; Y224-K260 PolarHBondContact O-N 2.76Å; Y224-L262 HydrophobicContact CD1-CB 4.27Å; Y224-L262 HydrophobicContact CE1-CB 4.2Å; Y224-Y478 PolarHBondContact OH-OH 3.49Å; Y224-Y478 VanDerWaalsContact OH-OH 3.09Å; Y224-E939 HydrophobicContact CE1-CG 4.36Å; Y224-E939 WeakPolarHBondContact CE1-OE1 3.46Å; Y224-E939 PolarHBondContact OH-OE1 3.46Å; Y224-L942 HydrophobicContact CD1-CD1 4.31Å; Y224-L942 HydrophobicContact CD2-CD1 4.39Å; Y224-L942 HydrophobicContact CG-CD1 4.08Å
225	E	60.5	Low	66.3	Low	125 Å²	125	79.4 Å²	79.4	58%	0.584	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.8	174.3	-69.8	179.5	172.8	0	0	111.3	K227 D258 K938	E225-K227 HydrophobicContact CB-CG 4.47Å; E225-K227 PolarHBondContact O-N 2.88Å; E225-D258 CarbonylContact C-O 3.53Å; E225-D258 WeakPolarHBondContact CA-O 3.26Å; E225-K938 PolarHBondContact O-NZ 3.46Å; E225-K938 VanDerWaalsContact O-NZ 3.11Å
226	V	59.6	Low	65.6	Low	21 Å²	21	78.7 Å²	78.7	13%	0.127	41%	0.41	C	S	.	.			trans	-80.2	67.5	172.2	-171.2	0	0	0	0	108.3	Y224 Q228 D258 K260 Q935	Y224-V226 HydrophobicContact CD2-CG2 4.31Å; Y224-V226 HydrophobicContact CE2-CG2 3.9Å; Y224-V226 PolarHBondContact O-N 3.02Å; V226-Q228 WeakPolarHBondContact O-CG 3.27Å; V226-Q228 PolarHBondContact O-N 2.98Å; V226-D258 WeakPolarHBondContact CG2-O 3.49Å; V226-D258 PolarHBondContact N-O 2.72Å; V226-K260 HydrophobicContact CG2-CB 3.95Å; V226-Q935 HydrophobicContact CG1-CG 4.43Å; V226-Q935 VanDerWaalsContact CG1-NE2 3.34Å
227	K	53.8	Low	64.8	Low	169 Å²	169	82.7 Å²	82.7	74%	0.735	42%	0.424	S	S	*	.			trans	-51.9	114.3	176.7	-66.6	-165.6	175.2	-170.1	0	110.6	E225	E225-K227 HydrophobicContact CB-CG 4.47Å; E225-K227 PolarHBondContact O-N 2.88Å
228	Q	50.2	Low	64.2	Low	74 Å²	74	85 Å²	85	35%	0.346	44%	0.439	S	S	.	.			trans	-85.5	161.1	-179.6	-54.5	-169.4	29	0	0	111.1	V226 D258	V226-Q228 WeakPolarHBondContact O-CG 3.27Å; V226-Q228 PolarHBondContact O-N 2.98Å; Q228-D258 PolarHBondContact NE2-OD1 3.22Å
229	G	46.9	Very low	63.5	Low	58 Å²	58	91.3 Å²	91.3	60%	0.598	47%	0.466	S	S	*	.	S	Bend	trans	-91.4	121.4	-166.2	0	0	0	0	0	115.4
230	S	56.7	Low	62.9	Low	74 Å²	74	93.1 Å²	93.1	52%	0.517	47%	0.472	S	S	.	.			trans	69.2	127.8	162.2	77.1	0	0	0	0	118.3	L232 V233 E234	S230-L232 PolarHBondContact O-N 3.32Å; S230-V233 PolarHBondContact O-N 2.67Å; S230-E234 WeakPolarHBondContact O-CB 3.24Å; S230-E234 PolarHBondContact O-N 3.31Å; S230-E234 VanDerWaalsContact O-N 3.13Å
231	N	58.2	Low	62.2	Low	127 Å²	127	95.4 Å²	95.4	68%	0.679	48%	0.482	S	S	*	.	H	α-helix	trans	-57.5	-16.3	-173	-48.7	19.2	0	0	0	115.2	K235	N231-K235 WeakPolarHBondContact O-CG 3.21Å; N231-K235 PolarHBondContact O-N 3.41Å
232	L	56.6	Low	62	Low	126 Å²	126	97.5 Å²	97.5	66%	0.66	49%	0.492	S	S	*	.	H	α-helix	trans	-91.5	-44	-177.1	-159.7	154.2	0	0	0	111.5	S230 E234 K235 I236	S230-L232 PolarHBondContact O-N 3.32Å; L232-E234 VanDerWaalsContact C-N 3.27Å; L232-E234 PolarHBondContact O-N 2.88Å; L232-K235 PolarHBondContact O-N 3.34Å; L232-I236 HydrophobicContact CD2-CD1 4Å; L232-I236 WeakPolarHBondContact O-CG1 3.42Å; L232-I236 PolarHBondContact O-N 3.16Å
233	V	60.3	Low	62.1	Low	90 Å²	90	98.6 Å²	98.6	55%	0.545	50%	0.503	S	S	.	.	H	α-helix	trans	-64.3	-37.6	170.6	178.8	0	0	0	0	110.2	S230 I236 R237	S230-V233 PolarHBondContact O-N 2.67Å; V233-I236 PolarHBondContact O-N 3.2Å; V233-R237 PolarHBondContact O-N 2.78Å
234	E	62.1	Low	62	Low	95 Å²	95	95.9 Å²	95.9	44%	0.444	49%	0.486	S	S	.	.	H	α-helix	trans	-61.8	-45.3	177.8	-169.4	169.4	-129.8	0	0	112.8	S230 L232 I236 R237 L238	S230-E234 WeakPolarHBondContact O-CB 3.24Å; S230-E234 PolarHBondContact O-N 3.31Å; S230-E234 VanDerWaalsContact O-N 3.13Å; L232-E234 VanDerWaalsContact C-N 3.27Å; L232-E234 PolarHBondContact O-N 2.88Å; E234-I236 VanDerWaalsContact C-N 3.32Å; E234-I236 PolarHBondContact O-N 3.35Å; E234-R237 PolarHBondContact O-N 2.82Å; E234-L238 HydrophobicContact CG-CD1 4.35Å; E234-L238 WeakPolarHBondContact O-CB 2.97Å; E234-L238 WeakPolarHBondContact O-CG 3.28Å; E234-L238 PolarHBondContact O-N 3.21Å
235	K	66.4	Low	62	Low	160 Å²	160	97.8 Å²	97.8	70%	0.696	50%	0.498	S	S	*	.	H	α-helix	trans	-59.2	-41	172.9	-79.7	177.8	178.6	-174.9	0	112.7	N231 L232 L238 F239	N231-K235 WeakPolarHBondContact O-CG 3.21Å; N231-K235 PolarHBondContact O-N 3.41Å; L232-K235 PolarHBondContact O-N 3.34Å; K235-L238 PolarHBondContact O-N 2.91Å; K235-F239 PolarHBondContact O-N 3.43Å
236	I	67.1	Low	62.4	Low	94 Å²	94	96.5 Å²	96.5	48%	0.482	50%	0.501	S	S	.	.	H	α-helix	trans	-66.6	-43.4	176.4	-64.2	168	0	0	0	110.4	L232 V233 E234 L238 F239 I240	L232-I236 HydrophobicContact CD2-CD1 4Å; L232-I236 WeakPolarHBondContact O-CG1 3.42Å; L232-I236 PolarHBondContact O-N 3.16Å; V233-I236 PolarHBondContact O-N 3.2Å; E234-I236 VanDerWaalsContact C-N 3.32Å; E234-I236 PolarHBondContact O-N 3.35Å; I236-L238 PolarHBondContact O-N 2.88Å; I236-F239 PolarHBondContact O-N 2.89Å; I236-I240 HydrophobicContact CG2-CD1 3.8Å; I236-I240 HydrophobicContact CG2-CG1 4.49Å; I236-I240 VanDerWaalsContact O-CG1 3.32Å; I236-I240 WeakPolarHBondContact O-CG1 3.44Å; I236-I240 PolarHBondContact O-N 2.93Å
237	R	61.3	Low	62.9	Low	96 Å²	96	98.3 Å²	98.3	36%	0.362	51%	0.509	S	S	.	.	H	α-helix	trans	-61.3	-42.9	175.1	-178.9	177	174.2	156.7	0.2	111.7	V233 E234 I240 H241 E257	V233-R237 PolarHBondContact O-N 2.78Å; E234-R237 PolarHBondContact O-N 2.82Å; R237-I240 PolarHBondContact O-N 2.84Å; R237-H241 VanDerWaalsContact O-CB 3.26Å; R237-H241 WeakPolarHBondContact O-CB 3.27Å; R237-H241 PolarHBondContact O-N 2.84Å; R237-E257 IonicContact CZ-OE2 2.74Å; R237-E257 IonicContact NH2-OE2 3.12Å; R237-E257 PolarHBondContact NH2-OE2 3.08Å
238	L	66	Low	63.7	Low	114 Å²	114	93.3 Å²	93.3	60%	0.597	49%	0.488	S	S	*	.	H	α-helix	trans	-64.6	-39.4	178.1	-73.4	168.5	0	0	0	112.2	E234 K235 I236 H241 K242	E234-L238 HydrophobicContact CG-CD1 4.35Å; E234-L238 WeakPolarHBondContact O-CB 2.97Å; E234-L238 WeakPolarHBondContact O-CG 3.28Å; E234-L238 PolarHBondContact O-N 3.21Å; K235-L238 PolarHBondContact O-N 2.91Å; I236-L238 PolarHBondContact O-N 2.88Å; L238-H241 PolarHBondContact O-N 3.46Å; L238-K242 WeakPolarHBondContact O-CB 3.35Å; L238-K242 PolarHBondContact O-N 2.95Å
239	F	67.6	Low	64.4	Low	145 Å²	145	90.8 Å²	90.8	64%	0.636	48%	0.478	S	S	*	.	H	α-helix	trans	-64	-48.3	172.8	-177	-97.6	0	0	0	111.7	K235 I236 H241 K242 V243	K235-F239 PolarHBondContact O-N 3.43Å; I236-F239 PolarHBondContact O-N 2.89Å; F239-H241 VanDerWaalsContact C-N 3.34Å; F239-H241 PolarHBondContact O-N 2.84Å; F239-K242 PolarHBondContact O-N 3.35Å; F239-V243 HydrophobicContact CD1-CG2 4.45Å; F239-V243 HydrophobicContact CE1-CG2 4.11Å; F239-V243 HydrophobicContact CZ-CG2 4.15Å; F239-V243 WeakPolarHBondContact O-CG2 3.43Å; F239-V243 PolarHBondContact O-N 3.49Å
240	I	66.6	Low	65.2	Low	90 Å²	90	96.4 Å²	96.4	46%	0.462	49%	0.486	S	S	.	.	H	α-helix	trans	-60.1	-43.3	176.3	-68.6	168.4	0	0	0	110.9	I236 R237 V243 T244	I236-I240 HydrophobicContact CG2-CD1 3.8Å; I236-I240 HydrophobicContact CG2-CG1 4.49Å; I236-I240 VanDerWaalsContact O-CG1 3.32Å; I236-I240 WeakPolarHBondContact O-CG1 3.44Å; I236-I240 PolarHBondContact O-N 2.93Å; R237-I240 PolarHBondContact O-N 2.84Å; I240-V243 PolarHBondContact O-N 3.26Å; I240-T244 HydrophobicContact CG2-CG2 4.3Å; I240-T244 WeakPolarHBondContact O-CB 3.25Å; I240-T244 WeakPolarHBondContact O-CG2 3.39Å; I240-T244 PolarHBondContact O-N 3.4Å; I240-T244 PolarHBondContact O-OG1 3.05Å
241	H	64.2	Low	65.3	Low	52 Å²	52	95.3 Å²	95.3	24%	0.241	48%	0.476	C	S	.	.	H	α-helix	trans	-63.1	-46.4	178.1	-171.3	-71.1	0	0	0	110.6	R237 L238 F239 V243 T244 D245	R237-H241 VanDerWaalsContact O-CB 3.26Å; R237-H241 WeakPolarHBondContact O-CB 3.27Å; R237-H241 PolarHBondContact O-N 2.84Å; L238-H241 PolarHBondContact O-N 3.46Å; F239-H241 VanDerWaalsContact C-N 3.34Å; F239-H241 PolarHBondContact O-N 2.84Å; H241-V243 VanDerWaalsContact C-N 3.27Å; H241-V243 PolarHBondContact O-N 2.78Å; H241-T244 CarbonylContact O-C 3.58Å; H241-T244 PolarHBondContact O-N 3.36Å; H241-T244 VanDerWaalsContact O-N 3.08Å; H241-T244 PolarHBondContact O-OG1 2.65Å; H241-D245 IonicContact CE1-OD1 2.74Å; H241-D245 PolarHBondContact CE1-OD1 2.88Å; H241-D245 IonicContact CE1-OD2 3.46Å; H241-D245 PolarHBondContact CE1-OD2 3.11Å; H241-D245 IonicContact CG-OD2 2.7Å; H241-D245 VanDerWaalsContact ND1-CG 3.31Å; H241-D245 IonicContact ND1-OD1 2.72Å; H241-D245 PolarHBondContact ND1-OD1 3.23Å; H241-D245 IonicContact ND1-OD2 3.99Å; H241-D245 PolarHBondContact ND1-OD2 3.49Å; H241-D245 IonicContact NE2-OD1 3.08Å; H241-D245 WeakPolarHBondContact O-CB 3.37Å; H241-D245 PolarHBondContact O-N 2.96Å
242	K	70.5	Confident	65	Low	170 Å²	170	92 Å²	92	74%	0.739	47%	0.472	S	S	*	.	H	α-helix	trans	-60.8	-33.6	176.5	-172.4	175	-178.8	179.1	0	113.2	L238 F239	L238-K242 WeakPolarHBondContact O-CB 3.35Å; L238-K242 PolarHBondContact O-N 2.95Å; F239-K242 PolarHBondContact O-N 3.35Å
243	V	72.1	Confident	64.3	Low	90 Å²	90	92.1 Å²	92.1	55%	0.545	48%	0.481	S	S	.	.	H	α-helix	trans	-77.6	-30.9	174.8	173	0	0	0	0	112.3	F239 I240 H241	F239-V243 HydrophobicContact CD1-CG2 4.45Å; F239-V243 HydrophobicContact CE1-CG2 4.11Å; F239-V243 HydrophobicContact CZ-CG2 4.15Å; F239-V243 WeakPolarHBondContact O-CG2 3.43Å; F239-V243 PolarHBondContact O-N 3.49Å; I240-V243 PolarHBondContact O-N 3.26Å; H241-V243 VanDerWaalsContact C-N 3.27Å; H241-V243 PolarHBondContact O-N 2.78Å
244	T	70.3	Confident	63.6	Low	20 Å²	20	93.7 Å²	93.7	12%	0.123	48%	0.48	C	S	.	.	H	α-helix	trans	-100.2	-8.1	-176	56.5	0	0	0	0	114.8	I240 H241 P246 L247 H248 Y356	I240-T244 HydrophobicContact CG2-CG2 4.3Å; I240-T244 WeakPolarHBondContact O-CB 3.25Å; I240-T244 WeakPolarHBondContact O-CG2 3.39Å; I240-T244 PolarHBondContact O-N 3.4Å; I240-T244 PolarHBondContact O-OG1 3.05Å; H241-T244 CarbonylContact O-C 3.58Å; H241-T244 PolarHBondContact O-N 3.36Å; H241-T244 VanDerWaalsContact O-N 3.08Å; H241-T244 PolarHBondContact O-OG1 2.65Å; T244-P246 VanDerWaalsContact C-CD 3.46Å; T244-P246 VanDerWaalsContact C-N 3.34Å; T244-L247 HydrophobicContact CG2-CD1 4.41Å; T244-L247 WeakPolarHBondContact O-CA 3.26Å; T244-L247 WeakPolarHBondContact O-CB 3.43Å; T244-L247 PolarHBondContact O-N 3.28Å; T244-H248 PolarHBondContact O-N 3.28Å; T244-H248 PolarHBondContact O-ND1 3.21Å; T244-Y356 HydrophobicContact CG2-CE2 4.31Å
245	D	64.5	Low	62.7	Low	63 Å²	63	99.1 Å²	99.1	34%	0.337	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-50.7	-43.2	176.3	-100.5	-52.6	0	0	0	113.1	H241 L247 H248 K254	H241-D245 IonicContact CE1-OD1 2.74Å; H241-D245 PolarHBondContact CE1-OD1 2.88Å; H241-D245 IonicContact CE1-OD2 3.46Å; H241-D245 PolarHBondContact CE1-OD2 3.11Å; H241-D245 IonicContact CG-OD2 2.7Å; H241-D245 VanDerWaalsContact ND1-CG 3.31Å; H241-D245 IonicContact ND1-OD1 2.72Å; H241-D245 PolarHBondContact ND1-OD1 3.23Å; H241-D245 IonicContact ND1-OD2 3.99Å; H241-D245 PolarHBondContact ND1-OD2 3.49Å; H241-D245 IonicContact NE2-OD1 3.08Å; H241-D245 WeakPolarHBondContact O-CB 3.37Å; H241-D245 PolarHBondContact O-N 2.96Å; D245-L247 PolarHBondContact O-N 3.11Å; D245-H248 PolarHBondContact O-N 2.92Å; D245-H248 VanDerWaalsContact O-N 3.09Å; D245-K254 IonicContact OD1-NZ 3.59Å; D245-K254 PolarHBondContact OD1-NZ 3.25Å
246	P	69.5	Low	61.6	Low	99 Å²	99	95.3 Å²	95.3	64%	0.643	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-62.8	-21.3	175.6	-23.7	35.2	0	0	0	114.6	T244	T244-P246 VanDerWaalsContact C-CD 3.46Å; T244-P246 VanDerWaalsContact C-N 3.34Å
247	L	71.2	Confident	60.7	Low	59 Å²	59	96.6 Å²	96.6	31%	0.309	49%	0.492	S	S	.	.	G	3₁₀ helix	trans	-89.8	-10.3	178.3	-55	174.8	0	0	0	112.4	T244 D245 Y354 K355 Y356	T244-L247 HydrophobicContact CG2-CD1 4.41Å; T244-L247 WeakPolarHBondContact O-CA 3.26Å; T244-L247 WeakPolarHBondContact O-CB 3.43Å; T244-L247 PolarHBondContact O-N 3.28Å; D245-L247 PolarHBondContact O-N 3.11Å; L247-Y354 HydrophobicContact CD2-CD2 4.08Å; L247-K355 CarbonylContact O-C 3.59Å; L247-K355 VanDerWaalsContact O-CA 3.24Å; L247-K355 WeakPolarHBondContact O-CA 3.45Å; L247-K355 WeakPolarHBondContact O-CB 3.32Å; L247-Y356 HydrophobicContact CB-CD2 3.74Å; L247-Y356 HydrophobicContact CB-CE2 3.69Å; L247-Y356 HydrophobicContact CD1-CE2 4.09Å; L247-Y356 PolarHBondContact O-N 3.43Å
248	H	69.8	Low	60.1	Low	63 Å²	63	95.1 Å²	95.1	29%	0.292	49%	0.492	S	S	.	.	S	Bend	trans	-83.3	137.7	178.6	-75.3	77.4	0	0	0	111.2	T244 D245 Y356	T244-H248 PolarHBondContact O-N 3.28Å; T244-H248 PolarHBondContact O-ND1 3.21Å; D245-H248 PolarHBondContact O-N 2.92Å; D245-H248 VanDerWaalsContact O-N 3.09Å; H248-Y356 AromaticContact CE1-CD2 3.79Å; H248-Y356 AromaticContact CE1-CE2 3.93Å; H248-Y356 AromaticContact ND1-CD2 3.91Å
249	P	65.1	Low	59.7	Low	21 Å²	21	92.8 Å²	92.8	14%	0.136	48%	0.482	C	S	.	.			trans	-70.7	142.4	178.8	28.9	-34.1	0	0	0	111.7	V251 E346 Y356 P358	P249-V251 VanDerWaalsContact C-N 3.27Å; P249-V251 HydrophobicContact CB-CG2 4.12Å; P249-V251 HydrophobicContact CG-CG2 4.25Å; P249-V251 PolarHBondContact O-N 3.22Å; P249-E346 WeakPolarHBondContact CA-OE2 3.34Å; P249-E346 HydrophobicContact CB-CB 4.15Å; P249-Y356 WeakPolarHBondContact CD-O 3.48Å; P249-P358 HydrophobicContact CB-CB 4.37Å; P249-P358 HydrophobicContact CG-CB 3.8Å; P249-P358 HydrophobicContact CG-CG 4.42Å
250	K	63.7	Low	59.5	Low	177 Å²	177	87.5 Å²	87.5	77%	0.77	46%	0.459	S	S	*	.			trans	-81.1	64.3	-175.2	-67.7	-173	176.4	-176.9	0	112.1	G252 E346	K250-G252 PolarHBondContact O-N 2.88Å; K250-G252 VanDerWaalsContact O-N 3.16Å; K250-E346 PolarHBondContact N-OE2 2.82Å
251	V	59	Low	59.6	Low	51 Å²	51	84.6 Å²	84.6	31%	0.309	45%	0.446	S	S	.	.			trans	-86.5	81.9	-177.1	-174.7	0	0	0	0	111.4	P249 L342 P358 L361	P249-V251 VanDerWaalsContact C-N 3.27Å; P249-V251 HydrophobicContact CB-CG2 4.12Å; P249-V251 HydrophobicContact CG-CG2 4.25Å; P249-V251 PolarHBondContact O-N 3.22Å; V251-L342 HydrophobicContact CG1-CD2 4.22Å; V251-P358 HydrophobicContact CG2-CB 3.88Å; V251-L361 HydrophobicContact CG1-CB 4.36Å; V251-L361 HydrophobicContact CG1-CD1 4.43Å; V251-L361 HydrophobicContact CG1-CD2 4.08Å; V251-L361 HydrophobicContact CG2-CD2 4.37Å
252	G	51.8	Low	60.1	Low	57 Å²	57	82.2 Å²	82.2	59%	0.588	44%	0.435	S	S	*	.	S	Bend	trans	63.4	-164.5	171.8	0	0	0	0	0	114.9	K250 K254	K250-G252 PolarHBondContact O-N 2.88Å; K250-G252 VanDerWaalsContact O-N 3.16Å; G252-K254 PolarHBondContact O-N 3.48Å
253	P	42	Very low	60.2	Low	129 Å²	129	74.3 Å²	74.3	84%	0.838	40%	0.401	S	S	*	.	S	Bend	trans	-67.3	115.4	168.1	28	-31.9	0	0	0	109	R255	P253-R255 PolarHBondContact O-N 3.5Å
254	K	44.5	Very low	60.2	Low	123 Å²	123	70.9 Å²	70.9	54%	0.535	38%	0.38	S	S	.	.			trans	-55.6	108.8	169.5	-69	-173.8	-177.4	-179.6	0	107.7	D245 G252	D245-K254 IonicContact OD1-NZ 3.59Å; D245-K254 PolarHBondContact OD1-NZ 3.25Å; G252-K254 PolarHBondContact O-N 3.48Å
255	R	43.8	Very low	60.5	Low	208 Å²	208	73 Å²	73	79%	0.785	39%	0.394	S	S	*	.			trans	-56.3	134.3	156.1	-74.5	-174.3	177.1	-172.6	-2.1	106.1	P253 E257	P253-R255 PolarHBondContact O-N 3.5Å; R255-E257 PolarHBondContact O-N 2.79Å
256	P	43.9	Very low	61.2	Low	81 Å²	81	70.2 Å²	70.2	53%	0.526	38%	0.379	S	S	.	.			trans	-53.8	128.3	178.4	19	-30	0	0	0	109.6	D258 V259	P256-D258 PolarHBondContact O-N 2.74Å; P256-V259 HydrophobicContact CB-CG2 4.14Å; P256-V259 HydrophobicContact CG-CB 4.02Å; P256-V259 HydrophobicContact CG-CG2 3.68Å; P256-V259 PolarHBondContact O-N 3.1Å; P256-V259 VanDerWaalsContact O-N 3.08Å
257	E	46.9	Very low	61.7	Low	121 Å²	121	66.7 Å²	66.7	57%	0.565	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.5	-169.8	-63	-163.4	138.7	0	0	112.8	R237 R255 V259	R237-E257 IonicContact CZ-OE2 2.74Å; R237-E257 IonicContact NH2-OE2 3.12Å; R237-E257 PolarHBondContact NH2-OE2 3.08Å; R255-E257 PolarHBondContact O-N 2.79Å; E257-V259 VanDerWaalsContact C-N 3.3Å; E257-V259 PolarHBondContact O-N 3.02Å
258	D	49.8	Very low	61.8	Low	65 Å²	65	69.1 Å²	69.1	35%	0.348	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	1	-177.5	-50.4	-71.8	0	0	0	113.8	E225 V226 Q228 P256	E225-D258 CarbonylContact C-O 3.53Å; E225-D258 WeakPolarHBondContact CA-O 3.26Å; V226-D258 WeakPolarHBondContact CG2-O 3.49Å; V226-D258 PolarHBondContact N-O 2.72Å; Q228-D258 PolarHBondContact NE2-OD1 3.22Å; P256-D258 PolarHBondContact O-N 2.74Å
259	V	56.5	Low	61.9	Low	65 Å²	65	73.7 Å²	73.7	39%	0.394	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	91.1	-170	176.6	0	0	0	0	110.7	V223 P256 E257	V223-V259 HydrophobicContact CG1-CG1 3.31Å; P256-V259 HydrophobicContact CB-CG2 4.14Å; P256-V259 HydrophobicContact CG-CB 4.02Å; P256-V259 HydrophobicContact CG-CG2 3.68Å; P256-V259 PolarHBondContact O-N 3.1Å; P256-V259 VanDerWaalsContact O-N 3.08Å; E257-V259 VanDerWaalsContact C-N 3.3Å; E257-V259 PolarHBondContact O-N 3.02Å
260	K	64	Low	62.5	Low	34 Å²	34	75.4 Å²	75.4	15%	0.148	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	129.8	176.6	-171.8	-178.3	172.9	-160.6	0	110.3	V223 Y224 V226 D481 E939	V223-K260 WeakPolarHBondContact CG1-O 3.33Å; Y224-K260 WeakPolarHBondContact CD1-O 3.48Å; Y224-K260 HydrophobicContact CE1-CB 4.48Å; Y224-K260 HydrophobicContact CE2-CB 4.49Å; Y224-K260 PolarHBondContact N-O 3.29Å; Y224-K260 PolarHBondContact O-N 2.76Å; V226-K260 HydrophobicContact CG2-CB 3.95Å; K260-D481 VanDerWaalsContact CE-OD1 3.3Å; K260-D481 WeakPolarHBondContact CE-OD1 3Å; K260-D481 IonicContact NZ-OD1 3.07Å; K260-D481 PolarHBondContact NZ-OD1 2.72Å; K260-E939 WeakPolarHBondContact CE-OE1 3.37Å; K260-E939 VanDerWaalsContact NZ-CD 3.27Å; K260-E939 IonicContact NZ-OE1 3.43Å; K260-E939 PolarHBondContact NZ-OE1 3.18Å; K260-E939 IonicContact NZ-OE2 3.79Å; K260-E939 PolarHBondContact NZ-OE2 2.95Å
261	S	68	Low	62.9	Low	29 Å²	29	69.5 Å²	69.5	20%	0.203	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	125.4	165.3	52.9	0	0	0	0	109.4	P219 S263	P219-S261 WeakPolarHBondContact CB-OG 3.31Å; S261-S263 PolarHBondContact O-N 2.96Å
262	L	74.4	Confident	63.5	Low	1 Å²	1	69.7 Å²	69.7	1%	0.005	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	130.8	173.3	169.5	68.5	0	0	0	109	T220 Q222 Y224 E939 M943 H946	T220-L262 WeakPolarHBondContact CB-O 3.27Å; T220-L262 WeakPolarHBondContact CG2-O 3.36Å; T220-L262 PolarHBondContact N-O 3.35Å; T220-L262 PolarHBondContact OG1-O 3.19Å; Q222-L262 PolarHBondContact O-N 3.28Å; Y224-L262 HydrophobicContact CD1-CB 4.27Å; Y224-L262 HydrophobicContact CE1-CB 4.2Å; L262-E939 HydrophobicContact CD1-CG 3.72Å; L262-M943 HydrophobicContact CD1-CB 4.05Å; L262-M943 HydrophobicContact CD1-CE 4.11Å; L262-M943 HydrophobicContact CD1-CG 4.43Å; L262-M943 HydrophobicContact CD2-CB 4.43Å; L262-H946 HydrophobicContact CD2-CB 4.34Å
263	S	72.6	Confident	64.5	Low	4 Å²	4	67.3 Å²	67.3	3%	0.028	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.1	178.6	63.4	0	0	0	0	112.2	M218 S261 D481	M218-S263 VanDerWaalsContact O-CA 3.32Å; M218-S263 WeakPolarHBondContact O-CA 3.36Å; S261-S263 PolarHBondContact O-N 2.96Å; S263-D481 WeakPolarHBondContact CB-OD2 3.29Å; S263-D481 PolarHBondContact OG-OD1 3.48Å; S263-D481 PolarHBondContact OG-OD2 3.5Å
264	L	72.8	Confident	66.3	Low	18 Å²	18	61.3 Å²	61.3	9%	0.094	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.1	177.9	-81	177.3	0	0	0	109.7	K217 M218 T220 F266 L273 F274 M943	K217-L264 VanDerWaalsContact CA-O 3.31Å; K217-L264 WeakPolarHBondContact CA-O 3.49Å; M218-L264 PolarHBondContact N-O 2.99Å; M218-L264 PolarHBondContact O-N 3.01Å; M218-L264 VanDerWaalsContact O-N 3.1Å; T220-L264 HydrophobicContact CG2-CB 3.93Å; T220-L264 HydrophobicContact CG2-CD1 3.64Å; T220-L264 HydrophobicContact CG2-CG 3.74Å; L264-F266 PolarHBondContact O-N 3.06Å; L264-L273 HydrophobicContact CD1-CB 4.49Å; L264-L273 HydrophobicContact CD1-CD1 3.75Å; L264-F274 HydrophobicContact CB-CE1 3.89Å; L264-F274 HydrophobicContact CB-CZ 3.83Å; L264-F274 WeakPolarHBondContact O-CE1 3.38Å; L264-M943 HydrophobicContact CD2-CE 4.27Å; L264-M943 HydrophobicContact CD2-CG 3.5Å; L264-M943 VanDerWaalsContact CD2-CG 3.5Å; L264-M943 HydrophobicContact CD2-SD 3.76Å
265	P	77.4	Confident	67.7	Low	66 Å²	66	59 Å²	59	43%	0.429	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	126.6	167.7	27.2	-33.8	0	0	0	109.2	K215 S267	K215-P265 HydrophobicContact CB-CB 4.38Å; P265-S267 PolarHBondContact O-N 3.44Å
266	F	78.5	Confident	69.3	Low	4 Å²	4	51 Å²	51	2%	0.018	27%	0.265	C	S	.	.			trans	-62.3	132.1	-176.4	-174.9	-93.5	0	0	0	110.8	C208 A211 E212 L216 M218 L264 Q271 F274 F282	C208-F266 HydrophobicContact CB-CE1 3.85Å; C208-F266 HydrophobicContact CB-CZ 4.14Å; C208-F266 WeakPolarHBondContact O-CE1 3.32Å; A211-F266 HydrophobicContact CB-CB 4.5Å; A211-F266 HydrophobicContact CB-CD1 3.83Å; A211-F266 HydrophobicContact CB-CE1 4.42Å; A211-F266 HydrophobicContact CB-CG 4.3Å; E212-F266 WeakPolarHBondContact CA-O 3.45Å; E212-F266 HydrophobicContact CB-CD1 4.36Å; L216-F266 VanDerWaalsContact O-CB 3.25Å; L216-F266 WeakPolarHBondContact O-CB 3.33Å; L216-F266 PolarHBondContact O-N 2.7Å; M218-F266 HydrophobicContact CB-CD2 4.4Å; M218-F266 HydrophobicContact CG-CB 3.91Å; M218-F266 HydrophobicContact CG-CD2 4.07Å; M218-F266 HydrophobicContact CG-CG 4.34Å; L264-F266 PolarHBondContact O-N 3.06Å; F266-Q271 HydrophobicContact CE2-CG 4.49Å; F266-Q271 HydrophobicContact CZ-CG 4.1Å; F266-F274 HydrophobicContact CD2-CD1 4.46Å; F266-F274 HydrophobicContact CD2-CD2 4.12Å; F266-F274 HydrophobicContact CD2-CE2 4.17Å; F266-F274 HydrophobicContact CD2-CG 4.28Å; F266-F274 HydrophobicContact CD2-CZ 4.38Å; F266-F274 HydrophobicContact CE2-CD2 4.3Å; F266-F282 HydrophobicContact CD2-CE1 4.11Å; F266-F282 HydrophobicContact CD2-CZ 4.09Å; F266-F282 AromaticContact CE2-CE1 3.82Å; F266-F282 HydrophobicContact CE2-CE1 3.82Å; F266-F282 AromaticContact CE2-CZ 3.99Å; F266-F282 HydrophobicContact CE2-CZ 3.99Å
267	S	79	Confident	70.3	Confident	24 Å²	24	52.3 Å²	52.3	17%	0.168	28%	0.276	C	S	.	.			trans	-132.9	136.1	169.6	171.2	0	0	0	0	110.2	E212 P265 E269 K270 Q271	E212-S267 WeakPolarHBondContact OE1-CA 3.18Å; E212-S267 VanDerWaalsContact OE1-CB 3.22Å; E212-S267 WeakPolarHBondContact OE1-CB 3.49Å; E212-S267 PolarHBondContact OE1-OG 2.67Å; P265-S267 PolarHBondContact O-N 3.44Å; S267-E269 VanDerWaalsContact C-N 3.28Å; S267-E269 PolarHBondContact O-N 2.76Å; S267-K270 CarbonylContact O-C 3.6Å; S267-K270 PolarHBondContact O-N 2.75Å; S267-K270 VanDerWaalsContact O-N 3.14Å; S267-Q271 PolarHBondContact O-N 2.78Å
268	K	74.6	Confident	71.4	Confident	111 Å²	111	49.4 Å²	49.4	48%	0.483	26%	0.264	S	S	.	.	S	Bend	trans	-65.1	-33.7	-177.7	-175.5	-174.4	174.1	-170.2	0	111.6	E212 K270 Q271	E212-K268 VanDerWaalsContact CD-N 3.29Å; E212-K268 PolarHBondContact OE1-N 2.96Å; E212-K268 WeakPolarHBondContact OE2-CB 3.39Å; E212-K268 PolarHBondContact OE2-N 3.19Å; K268-K270 VanDerWaalsContact C-N 3.34Å; K268-Q271 WeakPolarHBondContact O-CG 3.47Å; K268-Q271 PolarHBondContact O-NE2 3.23Å
269	E	72.1	Confident	72.6	Confident	158 Å²	158	53.5 Å²	53.5	74%	0.738	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-30.4	176.1	-60	-175.6	169.1	0	0	112	S267	S267-E269 VanDerWaalsContact C-N 3.28Å; S267-E269 PolarHBondContact O-N 2.76Å
270	K	76.9	Confident	73.3	Confident	57 Å²	57	56.5 Å²	56.5	25%	0.248	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	23.9	-173.1	-50.7	-163.9	-175.7	-164	0	113.8	S267 K268 H272 L273 F274 F947 E951	S267-K270 CarbonylContact O-C 3.6Å; S267-K270 PolarHBondContact O-N 2.75Å; S267-K270 VanDerWaalsContact O-N 3.14Å; K268-K270 VanDerWaalsContact C-N 3.34Å; K270-H272 PolarHBondContact O-N 3.21Å; K270-L273 HydrophobicContact CB-CD1 3.91Å; K270-L273 HydrophobicContact CB-CG 4.41Å; K270-L273 HydrophobicContact CD-CD1 4.46Å; K270-L273 WeakPolarHBondContact O-CB 2.94Å; K270-L273 PolarHBondContact O-N 3.35Å; K270-F274 WeakPolarHBondContact O-CD2 3.26Å; K270-F947 HydrophobicContact CD-CE2 4.29Å; K270-E951 WeakPolarHBondContact CE-OE1 3.34Å; K270-E951 IonicContact NZ-OE1 3.75Å; K270-E951 PolarHBondContact NZ-OE1 3.44Å
271	Q	73.3	Confident	73.8	Confident	53 Å²	53	62.5 Å²	62.5	25%	0.248	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-47.3	-29.8	175	-85.9	176.4	62.9	0	0	114.4	F266 S267 K268 L273 F274 L276	F266-Q271 HydrophobicContact CE2-CG 4.49Å; F266-Q271 HydrophobicContact CZ-CG 4.1Å; S267-Q271 PolarHBondContact O-N 2.78Å; K268-Q271 WeakPolarHBondContact O-CG 3.47Å; K268-Q271 PolarHBondContact O-NE2 3.23Å; Q271-L273 VanDerWaalsContact C-N 3.26Å; Q271-L273 PolarHBondContact O-N 3Å; Q271-F274 PolarHBondContact O-N 3.3Å; Q271-L276 HydrophobicContact CB-CD1 3.85Å; Q271-L276 HydrophobicContact CG-CD1 4.12Å; Q271-L276 WeakPolarHBondContact O-CD1 3.44Å
272	H	71.4	Confident	74.5	Confident	55 Å²	55	62.2 Å²	62.2	26%	0.255	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-63	-25.5	179.3	63.3	-83.8	0	0	0	114.5	K221 K270 F274	K221-H272 PolarHBondContact NZ-O 2.91Å; K270-H272 PolarHBondContact O-N 3.21Å; H272-F274 VanDerWaalsContact C-N 3.34Å
273	L	73.1	Confident	75	Confident	8 Å²	8	62.2 Å²	62.2	4%	0.042	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-72.4	-27	176.1	-60.1	175.3	0	0	0	112.8	T220 K221 L264 K270 Q271 E950	T220-L273 VanDerWaalsContact CA-O 3.27Å; T220-L273 WeakPolarHBondContact CA-O 3.27Å; T220-L273 VanDerWaalsContact CB-O 3.3Å; T220-L273 WeakPolarHBondContact CB-O 3.29Å; K221-L273 PolarHBondContact N-O 3.37Å; L264-L273 HydrophobicContact CD1-CB 4.49Å; L264-L273 HydrophobicContact CD1-CD1 3.75Å; K270-L273 HydrophobicContact CB-CD1 3.91Å; K270-L273 HydrophobicContact CB-CG 4.41Å; K270-L273 HydrophobicContact CD-CD1 4.46Å; K270-L273 WeakPolarHBondContact O-CB 2.94Å; K270-L273 PolarHBondContact O-N 3.35Å; Q271-L273 VanDerWaalsContact C-N 3.26Å; Q271-L273 PolarHBondContact O-N 3Å; L273-E950 HydrophobicContact CD2-CB 3.85Å; L273-E950 HydrophobicContact CD2-CG 3.78Å
274	F	79.5	Confident	75.6	Confident	2 Å²	2	65 Å²	65	1%	0.009	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-89.9	148	-172.7	-59.9	-80	0	0	0	111.7	M218 T220 K221 L264 F266 K270 Q271 H272 L276 F282	M218-F274 HydrophobicContact CB-CD1 3.8Å; M218-F274 HydrophobicContact CB-CE1 3.88Å; M218-F274 WeakPolarHBondContact O-CE1 3.49Å; T220-F274 HydrophobicContact CG2-CD1 4.47Å; T220-F274 HydrophobicContact CG2-CE1 4.36Å; K221-F274 VanDerWaalsContact CE-O 3.25Å; K221-F274 WeakPolarHBondContact CE-O 3.48Å; L264-F274 HydrophobicContact CB-CE1 3.89Å; L264-F274 HydrophobicContact CB-CZ 3.83Å; L264-F274 WeakPolarHBondContact O-CE1 3.38Å; F266-F274 HydrophobicContact CD2-CD1 4.46Å; F266-F274 HydrophobicContact CD2-CD2 4.12Å; F266-F274 HydrophobicContact CD2-CE2 4.17Å; F266-F274 HydrophobicContact CD2-CG 4.28Å; F266-F274 HydrophobicContact CD2-CZ 4.38Å; F266-F274 HydrophobicContact CE2-CD2 4.3Å; K270-F274 WeakPolarHBondContact O-CD2 3.26Å; Q271-F274 PolarHBondContact O-N 3.3Å; H272-F274 VanDerWaalsContact C-N 3.34Å; F274-L276 HydrophobicContact CB-CG 4.39Å; F274-L276 PolarHBondContact O-N 3.35Å; F274-L276 VanDerWaalsContact O-N 3.13Å; F274-F282 HydrophobicContact CB-CE2 4.08Å; F274-F282 HydrophobicContact CB-CZ 4.04Å; F274-F282 HydrophobicContact CD1-CZ 4.49Å; F274-F282 HydrophobicContact CG-CZ 4.41Å
275	D	74.3	Confident	76.2	Confident	74 Å²	74	64.7 Å²	64.7	40%	0.396	32%	0.323	S	S	.	.			trans	-77.3	98.4	173.5	-177.3	12.1	0	0	0	110.1	P219 K221 S277 F282	P219-D275 PolarHBondContact O-N 2.89Å; K221-D275 HydrophobicContact CG-CB 4.16Å; D275-S277 VanDerWaalsContact OD1-CB 3.27Å; D275-S277 WeakPolarHBondContact OD1-CB 3.5Å; D275-S277 PolarHBondContact OD1-N 3.23Å; D275-S277 PolarHBondContact OD1-OG 2.73Å; D275-F282 WeakPolarHBondContact O-CD2 3.28Å; D275-F282 WeakPolarHBondContact O-CE2 3.3Å
276	L	76.7	Confident	76.8	Confident	42 Å²	42	62.7 Å²	62.7	22%	0.22	31%	0.308	C	S	.	.			trans	-102	22.1	-178.9	-63.7	176.6	0	0	0	112.6	W204 Q271 F274 D278 F282	W204-L276 HydrophobicContact CH2-CD2 3.8Å; W204-L276 HydrophobicContact CZ2-CD2 3.86Å; Q271-L276 HydrophobicContact CB-CD1 3.85Å; Q271-L276 HydrophobicContact CG-CD1 4.12Å; Q271-L276 WeakPolarHBondContact O-CD1 3.44Å; F274-L276 HydrophobicContact CB-CG 4.39Å; F274-L276 PolarHBondContact O-N 3.35Å; F274-L276 VanDerWaalsContact O-N 3.13Å; L276-D278 PolarHBondContact O-N 2.87Å; L276-F282 HydrophobicContact CD2-CD1 4.07Å; L276-F282 HydrophobicContact CD2-CD2 3.92Å; L276-F282 HydrophobicContact CD2-CE1 4.03Å; L276-F282 HydrophobicContact CD2-CE2 3.89Å; L276-F282 HydrophobicContact CD2-CG 4Å; L276-F282 HydrophobicContact CD2-CZ 3.94Å
277	S	65.1	Low	77.2	Confident	108 Å²	108	63.8 Å²	63.8	76%	0.755	32%	0.315	S	S	*	.	S	Bend	trans	-61.3	-27.7	-177.1	-57.4	0	0	0	0	113.6	D275	D275-S277 VanDerWaalsContact OD1-CB 3.27Å; D275-S277 WeakPolarHBondContact OD1-CB 3.5Å; D275-S277 PolarHBondContact OD1-N 3.23Å; D275-S277 PolarHBondContact OD1-OG 2.73Å
278	D	70.3	Confident	77.8	Confident	60 Å²	60	63.4 Å²	63.4	32%	0.321	31%	0.31	S	S	.	.			trans	-135.4	101.6	175.3	-173.8	-35.1	0	0	0	109.5	L276 D280 K281 F282	L276-D278 PolarHBondContact O-N 2.87Å; D278-D280 VanDerWaalsContact C-N 3.34Å; D278-D280 PolarHBondContact O-N 2.69Å; D278-D280 PolarHBondContact OD1-N 3.03Å; D278-K281 HydrophobicContact CB-CB 4.31Å; D278-K281 WeakPolarHBondContact OD1-CG 2.95Å; D278-K281 PolarHBondContact OD1-N 2.73Å; D278-K281 IonicContact OD1-NZ 2.72Å; D278-K281 VanDerWaalsContact OD2-CD 3.27Å; D278-K281 WeakPolarHBondContact OD2-CD 3.44Å; D278-K281 WeakPolarHBondContact OD2-CE 3.45Å; D278-K281 WeakPolarHBondContact OD2-CG 3.35Å; D278-K281 IonicContact OD2-NZ 3.19Å; D278-K281 PolarHBondContact OD2-NZ 2.78Å; D278-F282 WeakPolarHBondContact O-CB 3.43Å; D278-F282 PolarHBondContact O-N 3.32Å
279	R	75.3	Confident	78.6	Confident	151 Å²	151	58.4 Å²	58.4	57%	0.57	29%	0.289	S	S	*	.	H	α-helix	trans	-66.1	-34.5	-175.7	-72.4	-177	174.6	178	-1.9	113	W204	W204-R279 HydrophobicContact CE3-CB 4.3Å; W204-R279 HydrophobicContact CH2-CB 4.46Å; W204-R279 HydrophobicContact CH2-CG 4.37Å; W204-R279 HydrophobicContact CZ2-CG 4.47Å; W204-R279 HydrophobicContact CZ3-CB 4.12Å; W204-R279 HydrophobicContact CZ3-CG 4.48Å; W204-R279 VanDerWaalsContact CZ3-O 3.24Å; W204-R279 WeakPolarHBondContact CZ3-O 3.49Å
280	D	70.9	Confident	79.4	Confident	128 Å²	128	51.8 Å²	51.8	68%	0.684	26%	0.26	S	S	*	.	H	α-helix	trans	-80.3	-24.7	-174.7	-62.7	-46.6	0	0	0	112.2	D278	D278-D280 VanDerWaalsContact C-N 3.34Å; D278-D280 PolarHBondContact O-N 2.69Å; D278-D280 PolarHBondContact OD1-N 3.03Å
281	K	73.6	Confident	80	Confident	159 Å²	159	49.1 Å²	49.1	69%	0.691	25%	0.249	S	C	*	.	H	α-helix	trans	-93.1	-14.8	171.9	-60	-173.7	-166	68.3	0	114.4	D278 F283	D278-K281 HydrophobicContact CB-CB 4.31Å; D278-K281 WeakPolarHBondContact OD1-CG 2.95Å; D278-K281 PolarHBondContact OD1-N 2.73Å; D278-K281 IonicContact OD1-NZ 2.72Å; D278-K281 VanDerWaalsContact OD2-CD 3.27Å; D278-K281 WeakPolarHBondContact OD2-CD 3.44Å; D278-K281 WeakPolarHBondContact OD2-CE 3.45Å; D278-K281 WeakPolarHBondContact OD2-CG 3.35Å; D278-K281 IonicContact OD2-NZ 3.19Å; D278-K281 PolarHBondContact OD2-NZ 2.78Å; K281-F283 PolarHBondContact O-N 3.22Å
282	F	82.9	Confident	80.9	Confident	24 Å²	24	46.6 Å²	46.6	11%	0.105	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-43.9	179.8	-177.6	-102.2	0	0	0	113.1	W204 M218 F266 F274 D275 L276 D278	W204-F282 HydrophobicContact CH2-CB 4.15Å; W204-F282 AromaticContact CH2-CD1 3.57Å; W204-F282 HydrophobicContact CH2-CD1 3.57Å; W204-F282 HydrophobicContact CH2-CE1 4.28Å; W204-F282 HydrophobicContact CH2-CG 4.1Å; W204-F282 HydrophobicContact CZ3-CB 4.24Å; W204-F282 HydrophobicContact CZ3-CD1 4.05Å; M218-F282 HydrophobicContact CB-CE2 4.44Å; M218-F282 HydrophobicContact CB-CZ 3.82Å; M218-F282 HydrophobicContact CE-CD1 3.79Å; M218-F282 HydrophobicContact CE-CD2 4.46Å; M218-F282 HydrophobicContact CE-CE1 3.46Å; M218-F282 VanDerWaalsContact CE-CE1 3.46Å; M218-F282 HydrophobicContact CE-CE2 4.17Å; M218-F282 HydrophobicContact CE-CG 4.3Å; M218-F282 HydrophobicContact CE-CZ 3.68Å; M218-F282 VanDerWaalsContact CE-O 3.24Å; M218-F282 WeakPolarHBondContact CE-O 3.49Å; M218-F282 HydrophobicContact CG-CE1 4.32Å; M218-F282 HydrophobicContact CG-CZ 4.07Å; F266-F282 HydrophobicContact CD2-CE1 4.11Å; F266-F282 HydrophobicContact CD2-CZ 4.09Å; F266-F282 AromaticContact CE2-CE1 3.82Å; F266-F282 HydrophobicContact CE2-CE1 3.82Å; F266-F282 AromaticContact CE2-CZ 3.99Å; F266-F282 HydrophobicContact CE2-CZ 3.99Å; F274-F282 HydrophobicContact CB-CE2 4.08Å; F274-F282 HydrophobicContact CB-CZ 4.04Å; F274-F282 HydrophobicContact CD1-CZ 4.49Å; F274-F282 HydrophobicContact CG-CZ 4.41Å; D275-F282 WeakPolarHBondContact O-CD2 3.28Å; D275-F282 WeakPolarHBondContact O-CE2 3.3Å; L276-F282 HydrophobicContact CD2-CD1 4.07Å; L276-F282 HydrophobicContact CD2-CD2 3.92Å; L276-F282 HydrophobicContact CD2-CE1 4.03Å; L276-F282 HydrophobicContact CD2-CE2 3.89Å; L276-F282 HydrophobicContact CD2-CG 4Å; L276-F282 HydrophobicContact CD2-CZ 3.94Å; D278-F282 WeakPolarHBondContact O-CB 3.43Å; D278-F282 PolarHBondContact O-N 3.32Å
283	F	85.1	Confident	81.7	Confident	1 Å²	1	46.2 Å²	46.2	0%	0.004	23%	0.234	C	C	.	.	S	Bend	trans	-97.7	97.8	172.3	-70.2	-64.2	0	0	0	110.4	W204 L207 A211 M218 K281 R288 I291	W204-F283 AromaticContact CE3-CD2 3.89Å; W204-F283 HydrophobicContact CE3-CD2 3.89Å; W204-F283 AromaticContact CE3-CE2 3.96Å; W204-F283 HydrophobicContact CE3-CE2 3.96Å; W204-F283 HydrophobicContact CH2-CD2 4.1Å; W204-F283 AromaticContact CH2-CE2 3.81Å; W204-F283 HydrophobicContact CH2-CE2 3.81Å; W204-F283 HydrophobicContact CZ2-CE2 4.44Å; W204-F283 AromaticContact CZ3-CD2 3.43Å; W204-F283 HydrophobicContact CZ3-CD2 3.43Å; W204-F283 VanDerWaalsContact CZ3-CD2 3.43Å; W204-F283 AromaticContact CZ3-CE2 3.54Å; W204-F283 HydrophobicContact CZ3-CE2 3.54Å; L207-F283 HydrophobicContact CB-CD2 3.94Å; L207-F283 HydrophobicContact CB-CE2 3.76Å; L207-F283 HydrophobicContact CB-CZ 4.3Å; L207-F283 HydrophobicContact CD1-CD2 4.04Å; A211-F283 HydrophobicContact CB-CE1 3.88Å; A211-F283 HydrophobicContact CB-CZ 4Å; M218-F283 HydrophobicContact CE-CD1 3.77Å; M218-F283 HydrophobicContact CE-CE1 3.85Å; M218-F283 HydrophobicContact SD-CE1 4.43Å; K281-F283 PolarHBondContact O-N 3.22Å; F283-R288 HydrophobicContact CB-CG 3.7Å; F283-R288 VanDerWaalsContact O-CD 3.26Å; F283-R288 WeakPolarHBondContact O-CD 2.93Å; F283-R288 WeakPolarHBondContact O-CG 3.49Å; F283-I291 HydrophobicContact CD1-CD1 4.41Å; F283-I291 HydrophobicContact CE1-CD1 4.46Å
284	D	84.9	Confident	82.2	Confident	61 Å²	61	47.3 Å²	47.3	33%	0.326	24%	0.238	S	C	.	.			trans	-46.1	142.9	171.7	-110.2	-29.9	0	0	0	111.8	K286 T287 R288 K364	D284-K286 PolarHBondContact O-N 3Å; D284-K286 VanDerWaalsContact O-N 3.1Å; D284-T287 HydrophobicContact CB-CG2 4.07Å; D284-T287 PolarHBondContact N-OG1 3.29Å; D284-T287 WeakPolarHBondContact O-CA 3.3Å; D284-T287 WeakPolarHBondContact O-CB 3.33Å; D284-T287 PolarHBondContact O-N 3.09Å; D284-T287 PolarHBondContact O-OG1 3.12Å; D284-R288 PolarHBondContact O-N 3.34Å; D284-K364 WeakPolarHBondContact OD1-CE 3.36Å; D284-K364 IonicContact OD1-NZ 3.79Å; D284-K364 WeakPolarHBondContact OD2-CG 3.25Å
285	S	86.2	Confident	82.6	Confident	12 Å²	12	47.2 Å²	47.2	8%	0.084	24%	0.238	C	C	.	.	H	α-helix	trans	-42.6	-49.6	176.5	-177.1	0	0	0	0	112.6	R100 T287 R288 S289 D327 R790	R100-S285 PolarHBondContact NH2-OG 2.66Å; S285-T287 VanDerWaalsContact C-N 3.34Å; S285-T287 PolarHBondContact O-N 2.9Å; S285-R288 PolarHBondContact O-N 3.33Å; S285-S289 PolarHBondContact O-N 3Å; S285-S289 PolarHBondContact O-OG 3.48Å; S285-D327 PolarHBondContact OG-OD1 3.49Å; S285-R790 PolarHBondContact OG-NH1 2.96Å
286	K	89.2	Confident	83.2	Confident	25 Å²	25	43.7 Å²	43.7	11%	0.109	22%	0.219	C	C	.	.	H	α-helix	trans	-56.9	-38.5	175.4	168.5	-113.2	171.4	166.5	0	113.9	D284 S290 K364 E368 A793	D284-K286 PolarHBondContact O-N 3Å; D284-K286 VanDerWaalsContact O-N 3.1Å; K286-S290 VanDerWaalsContact O-CB 3.31Å; K286-S290 WeakPolarHBondContact O-CB 3.48Å; K286-S290 PolarHBondContact O-N 3.42Å; K286-K364 WeakPolarHBondContact CB-O 3.36Å; K286-E368 VanDerWaalsContact CE-OE2 3.3Å; K286-E368 WeakPolarHBondContact CE-OE2 3.43Å; K286-E368 IonicContact NZ-OE1 3.24Å; K286-E368 PolarHBondContact NZ-OE1 2.95Å; K286-E368 IonicContact NZ-OE2 2.68Å; K286-E368 PolarHBondContact NZ-OE2 3.3Å; K286-A793 HydrophobicContact CD-CB 4.14Å; K286-A793 HydrophobicContact CG-CB 3.4Å; K286-A793 VanDerWaalsContact CG-CB 3.4Å
287	T	87.8	Confident	83.3	Confident	26 Å²	26	44.2 Å²	44.2	16%	0.16	22%	0.22	C	C	.	.	H	α-helix	trans	-74.4	-40.7	176.5	67.5	0	0	0	0	112	D284 S285 S290 I291	D284-T287 HydrophobicContact CB-CG2 4.07Å; D284-T287 PolarHBondContact N-OG1 3.29Å; D284-T287 WeakPolarHBondContact O-CA 3.3Å; D284-T287 WeakPolarHBondContact O-CB 3.33Å; D284-T287 PolarHBondContact O-N 3.09Å; D284-T287 PolarHBondContact O-OG1 3.12Å; S285-T287 VanDerWaalsContact C-N 3.34Å; S285-T287 PolarHBondContact O-N 2.9Å; T287-S290 WeakPolarHBondContact O-CB 3.5Å; T287-S290 PolarHBondContact O-N 3.33Å; T287-I291 WeakPolarHBondContact O-CG1 3.43Å; T287-I291 PolarHBondContact O-N 2.92Å
288	R	90.4	Very high	84	Confident	16 Å²	16	42.2 Å²	42.2	6%	0.06	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-50.6	177	-63.3	177.3	59.4	99.8	17.7	111.4	D102 H201 A202 L207 F283 D284 S285 S290 I291 V292	D102-R288 WeakPolarHBondContact OD1-CB 3.48Å; D102-R288 IonicContact OD1-CZ 3.5Å; D102-R288 IonicContact OD1-NE 2.66Å; D102-R288 PolarHBondContact OD1-NE 3.3Å; D102-R288 IonicContact OD1-NH2 3.3Å; D102-R288 PolarHBondContact OD1-NH2 3.15Å; D102-R288 IonicContact OD2-CZ 3.32Å; D102-R288 IonicContact OD2-NE 3.85Å; D102-R288 IonicContact OD2-NH2 2.65Å; D102-R288 PolarHBondContact OD2-NH2 3.39Å; H201-R288 PolarHBondContact CE1-NH2 3.01Å; A202-R288 PolarHBondContact O-NH2 3.19Å; L207-R288 HydrophobicContact CD1-CG 4.26Å; L207-R288 VanDerWaalsContact CD1-NH1 3.32Å; L207-R288 HydrophobicContact CD2-CB 4.42Å; L207-R288 HydrophobicContact CD2-CG 4.27Å; F283-R288 HydrophobicContact CB-CG 3.7Å; F283-R288 VanDerWaalsContact O-CD 3.26Å; F283-R288 WeakPolarHBondContact O-CD 2.93Å; F283-R288 WeakPolarHBondContact O-CG 3.49Å; D284-R288 PolarHBondContact O-N 3.34Å; S285-R288 PolarHBondContact O-N 3.33Å; R288-S290 VanDerWaalsContact C-N 3.3Å; R288-S290 PolarHBondContact O-N 3.06Å; R288-I291 PolarHBondContact O-N 2.98Å; R288-V292 WeakPolarHBondContact O-CG2 3.5Å; R288-V292 PolarHBondContact O-N 3.14Å
289	S	91.4	Very high	84.4	Confident	7 Å²	7	40.2 Å²	40.2	5%	0.049	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-33	175.7	-61.1	0	0	0	0	113.5	D102 S285 Y293 P324	D102-S289 PolarHBondContact O-OG 2.96Å; S285-S289 PolarHBondContact O-N 3Å; S285-S289 PolarHBondContact O-OG 3.48Å; S289-Y293 WeakPolarHBondContact O-CB 3.35Å; S289-Y293 PolarHBondContact O-N 3.42Å; S289-P324 WeakPolarHBondContact OG-CB 3.39Å
290	S	88.9	Confident	84.1	Confident	19 Å²	19	39.4 Å²	39.4	13%	0.133	18%	0.182	C	C	.	.	H	α-helix	trans	-68.3	-44.1	175.6	176.6	0	0	0	0	111.8	K286 T287 R288 Y293 E294	K286-S290 VanDerWaalsContact O-CB 3.31Å; K286-S290 WeakPolarHBondContact O-CB 3.48Å; K286-S290 PolarHBondContact O-N 3.42Å; T287-S290 WeakPolarHBondContact O-CB 3.5Å; T287-S290 PolarHBondContact O-N 3.33Å; R288-S290 VanDerWaalsContact C-N 3.3Å; R288-S290 PolarHBondContact O-N 3.06Å; S290-Y293 PolarHBondContact O-N 2.97Å; S290-E294 PolarHBondContact O-N 3.34Å; S290-E294 VanDerWaalsContact O-N 3.09Å
291	I	89.8	Confident	83.8	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-50.7	174.1	-70.3	162.1	0	0	0	110.5	L207 E210 A211 M214 L216 F283 T287 R288 Y293 E294 V295	L207-I291 HydrophobicContact CD2-CB 4.22Å; L207-I291 HydrophobicContact CD2-CD1 3.77Å; L207-I291 HydrophobicContact CD2-CG2 4.01Å; E210-I291 HydrophobicContact CB-CG2 3.52Å; E210-I291 HydrophobicContact CG-CG2 4.11Å; A211-I291 HydrophobicContact CB-CD1 4.44Å; M214-I291 HydrophobicContact SD-CG1 4.05Å; L216-I291 HydrophobicContact CD1-CD1 3.81Å; L216-I291 HydrophobicContact CD1-CG1 3.98Å; F283-I291 HydrophobicContact CD1-CD1 4.41Å; F283-I291 HydrophobicContact CE1-CD1 4.46Å; T287-I291 WeakPolarHBondContact O-CG1 3.43Å; T287-I291 PolarHBondContact O-N 2.92Å; R288-I291 PolarHBondContact O-N 2.98Å; I291-Y293 VanDerWaalsContact C-N 3.27Å; I291-Y293 PolarHBondContact O-N 3.35Å; I291-E294 PolarHBondContact O-N 2.99Å; I291-V295 WeakPolarHBondContact O-CG2 3.38Å; I291-V295 PolarHBondContact O-N 3.34Å
292	V	91.5	Very high	83	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-60	-38.8	179.4	173.7	0	0	0	0	111.5	D102 Y103 I200 A202 R288 V295 L296	D102-V292 HydrophobicContact CB-CG2 4.05Å; Y103-V292 HydrophobicContact CD2-CG1 4.41Å; Y103-V292 HydrophobicContact CG-CG1 4.11Å; I200-V292 HydrophobicContact CG2-CG1 3.95Å; A202-V292 HydrophobicContact CB-CG2 3.66Å; R288-V292 WeakPolarHBondContact O-CG2 3.5Å; R288-V292 PolarHBondContact O-N 3.14Å; V292-V295 PolarHBondContact O-N 3.29Å; V292-L296 HydrophobicContact CG1-CD1 3.83Å; V292-L296 HydrophobicContact CG1-CG 4.3Å; V292-L296 WeakPolarHBondContact O-CB 3.36Å; V292-L296 VanDerWaalsContact O-CG 3.25Å; V292-L296 WeakPolarHBondContact O-CG 3.38Å; V292-L296 PolarHBondContact O-N 3.25Å
293	Y	88.7	Confident	81.3	Confident	47 Å²	47	36.3 Å²	36.3	18%	0.184	17%	0.165	C	C	.	.	H	α-helix	trans	-66.3	-39.9	177.3	-177.8	-113.5	0	0	0	113.6	Y103 S289 S290 I291 V295 L296 K297 I792	Y103-Y293 HydrophobicContact CE2-CD2 4.33Å; S289-Y293 WeakPolarHBondContact O-CB 3.35Å; S289-Y293 PolarHBondContact O-N 3.42Å; S290-Y293 PolarHBondContact O-N 2.97Å; I291-Y293 VanDerWaalsContact C-N 3.27Å; I291-Y293 PolarHBondContact O-N 3.35Å; Y293-V295 VanDerWaalsContact C-N 3.34Å; Y293-L296 PolarHBondContact O-N 2.86Å; Y293-K297 HydrophobicContact CD1-CD 4.12Å; Y293-K297 HydrophobicContact CE1-CD 3.82Å; Y293-K297 HydrophobicContact CE1-CG 4.41Å; Y293-K297 PolarHBondContact O-N 3.26Å; Y293-I792 HydrophobicContact CD1-CD1 4.18Å; Y293-I792 HydrophobicContact CD1-CG2 3.66Å; Y293-I792 HydrophobicContact CD2-CD1 3.75Å; Y293-I792 HydrophobicContact CE1-CD1 3.96Å; Y293-I792 HydrophobicContact CE1-CG2 4.18Å; Y293-I792 HydrophobicContact CE2-CD1 3.57Å; Y293-I792 HydrophobicContact CG-CD1 4.05Å; Y293-I792 HydrophobicContact CG-CG2 3.94Å
294	E	84.4	Confident	79.4	Confident	30 Å²	30	42.3 Å²	42.3	14%	0.14	20%	0.204	C	C	.	.	H	α-helix	trans	-70.5	-29.5	174.5	-67.2	-54.6	132.4	0	0	112.6	M214 S290 I291 K297 R298	M214-E294 HydrophobicContact CE-CB 4.24Å; M214-E294 HydrophobicContact CE-CG 3.76Å; M214-E294 HydrophobicContact SD-CB 4.13Å; M214-E294 HydrophobicContact SD-CG 4.32Å; S290-E294 PolarHBondContact O-N 3.34Å; S290-E294 VanDerWaalsContact O-N 3.09Å; I291-E294 PolarHBondContact O-N 2.99Å; E294-K297 PolarHBondContact O-N 3.13Å; E294-K297 VanDerWaalsContact OE1-CD 3.3Å; E294-K297 WeakPolarHBondContact OE1-CD 3.46Å; E294-K297 WeakPolarHBondContact OE1-CE 3.5Å; E294-K297 IonicContact OE1-NZ 2.62Å; E294-K297 PolarHBondContact OE1-NZ 2.87Å; E294-K297 VanDerWaalsContact OE2-CD 3.28Å; E294-K297 WeakPolarHBondContact OE2-CD 3.48Å; E294-K297 IonicContact OE2-NZ 3.95Å; E294-K297 PolarHBondContact OE2-NZ 3.08Å; E294-R298 WeakPolarHBondContact O-CB 3.47Å; E294-R298 PolarHBondContact O-N 2.76Å
295	V	87.3	Confident	77.4	Confident	1 Å²	1	45 Å²	45	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-47.4	168.3	174.6	0	0	0	0	111	M180 L182 E210 I291 V292 Y293 K297 R298 I299	M180-V295 HydrophobicContact CG-CG1 4Å; L182-V295 HydrophobicContact CD1-CB 4.47Å; L182-V295 HydrophobicContact CD1-CG1 3.75Å; E210-V295 HydrophobicContact CB-CG2 4.47Å; E210-V295 HydrophobicContact CG-CG2 3.63Å; I291-V295 WeakPolarHBondContact O-CG2 3.38Å; I291-V295 PolarHBondContact O-N 3.34Å; V292-V295 PolarHBondContact O-N 3.29Å; Y293-V295 VanDerWaalsContact C-N 3.34Å; V295-K297 PolarHBondContact O-N 3.08Å; V295-R298 PolarHBondContact O-N 2.96Å; V295-R298 VanDerWaalsContact O-N 3.12Å; V295-I299 HydrophobicContact CG1-CD1 3.53Å; V295-I299 HydrophobicContact CG1-CG1 4.14Å; V295-I299 WeakPolarHBondContact O-CG1 3.44Å; V295-I299 PolarHBondContact O-N 2.9Å
296	L	87	Confident	75.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.9	-30.6	176.8	-71.9	164.2	0	0	0	113	Y103 L105 F173 L177 I200 V292 Y293 I310	Y103-L296 HydrophobicContact CD1-CD1 3.76Å; Y103-L296 HydrophobicContact CE1-CD1 4.01Å; Y103-L296 HydrophobicContact CG-CD1 4.15Å; L105-L296 HydrophobicContact CD1-CD2 4.34Å; L105-L296 HydrophobicContact CD2-CD1 4.49Å; F173-L296 HydrophobicContact CE1-CD2 4.11Å; F173-L296 HydrophobicContact CZ-CD2 4.11Å; L177-L296 HydrophobicContact CD1-CD2 4.08Å; L177-L296 HydrophobicContact CD2-CD2 3.58Å; L177-L296 HydrophobicContact CG-CD2 4.47Å; I200-L296 HydrophobicContact CD1-CD1 4.24Å; I200-L296 HydrophobicContact CD1-CD2 3.98Å; V292-L296 HydrophobicContact CG1-CD1 3.83Å; V292-L296 HydrophobicContact CG1-CG 4.3Å; V292-L296 WeakPolarHBondContact O-CB 3.36Å; V292-L296 VanDerWaalsContact O-CG 3.25Å; V292-L296 WeakPolarHBondContact O-CG 3.38Å; V292-L296 PolarHBondContact O-N 3.25Å; Y293-L296 PolarHBondContact O-N 2.86Å; L296-I310 HydrophobicContact CB-CB 4.47Å; L296-I310 HydrophobicContact CB-CD1 3.98Å; L296-I310 HydrophobicContact CB-CG2 4.14Å; L296-I310 HydrophobicContact CD1-CD1 4.23Å; L296-I310 HydrophobicContact CD2-CD1 3.99Å; L296-I310 HydrophobicContact CG-CD1 4.3Å; L296-I310 WeakPolarHBondContact O-CB 3.08Å; L296-I310 VanDerWaalsContact O-CG2 3.23Å; L296-I310 WeakPolarHBondContact O-CG2 3.3Å
297	K	79.6	Confident	74.1	Confident	53 Å²	53	48.3 Å²	48.3	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-72.4	-45.4	170.4	-82.2	168	154.6	-177.5	0	113.1	Y293 E294 V295	Y293-K297 HydrophobicContact CD1-CD 4.12Å; Y293-K297 HydrophobicContact CE1-CD 3.82Å; Y293-K297 HydrophobicContact CE1-CG 4.41Å; Y293-K297 PolarHBondContact O-N 3.26Å; E294-K297 PolarHBondContact O-N 3.13Å; E294-K297 VanDerWaalsContact OE1-CD 3.3Å; E294-K297 WeakPolarHBondContact OE1-CD 3.46Å; E294-K297 WeakPolarHBondContact OE1-CE 3.5Å; E294-K297 IonicContact OE1-NZ 2.62Å; E294-K297 PolarHBondContact OE1-NZ 2.87Å; E294-K297 VanDerWaalsContact OE2-CD 3.28Å; E294-K297 WeakPolarHBondContact OE2-CD 3.48Å; E294-K297 IonicContact OE2-NZ 3.95Å; E294-K297 PolarHBondContact OE2-NZ 3.08Å; V295-K297 PolarHBondContact O-N 3.08Å
298	R	78.4	Confident	72.8	Confident	66 Å²	66	48.5 Å²	48.5	25%	0.249	24%	0.235	C	C	.	.	H	α-helix	trans	-74.1	-34.4	-173.1	-165.2	-167.9	-63.2	145.1	4.5	112.3	E210 E294 V295 R300 Y493	E210-R298 IonicContact OE2-CZ 2.83Å; E210-R298 IonicContact OE2-NH1 2.89Å; E210-R298 PolarHBondContact OE2-NH1 3.43Å; E210-R298 IonicContact OE2-NH2 2.74Å; E294-R298 WeakPolarHBondContact O-CB 3.47Å; E294-R298 PolarHBondContact O-N 2.76Å; V295-R298 PolarHBondContact O-N 2.96Å; V295-R298 VanDerWaalsContact O-N 3.12Å; R298-R300 PolarHBondContact O-N 3.23Å; R298-Y493 PolarHBondContact NH2-OH 3.43Å; R298-Y493 VanDerWaalsContact NH2-OH 3.16Å
299	I	78.7	Confident	71.8	Confident	17 Å²	17	48.5 Å²	48.5	9%	0.087	24%	0.24	C	C	.	.			trans	-61.9	130.3	176.8	-71	169.4	0	0	0	109.6	F173 N176 L177 M180 V295	F173-I299 HydrophobicContact CD2-CG2 4.11Å; F173-I299 HydrophobicContact CE2-CB 4.32Å; F173-I299 HydrophobicContact CE2-CG2 3.76Å; N176-I299 HydrophobicContact CB-CG2 3.95Å; L177-I299 HydrophobicContact CD2-CD1 3.46Å; L177-I299 VanDerWaalsContact CD2-CD1 3.46Å; L177-I299 HydrophobicContact CG-CD1 4.19Å; M180-I299 HydrophobicContact CB-CD1 3.89Å; M180-I299 HydrophobicContact CG-CD1 3.99Å; M180-I299 HydrophobicContact CG-CG1 4.36Å; V295-I299 HydrophobicContact CG1-CD1 3.53Å; V295-I299 HydrophobicContact CG1-CG1 4.14Å; V295-I299 WeakPolarHBondContact O-CG1 3.44Å; V295-I299 PolarHBondContact O-N 2.9Å
300	R	69.8	Low	71.2	Confident	134 Å²	134	48.2 Å²	48.2	51%	0.506	24%	0.238	S	C	.	.			trans	-109.8	129.4	-178.3	-74.9	165.9	175.7	-131	-5.5	109	N176 R298 S307	N176-R300 PolarHBondContact ND2-O 3.49Å; R298-R300 PolarHBondContact O-N 3.23Å; R300-S307 PolarHBondContact NH1-OG 3.3Å
301	W	65.4	Low	70.7	Confident	20 Å²	20	50.2 Å²	50.2	8%	0.076	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	139.8	160	175.3	65.8	0	0	0	108.9	K169 E172 R303 S307 L308	K169-W301 HydrophobicContact CD-CH2 4.4Å; K169-W301 HydrophobicContact CG-CH2 4.12Å; K169-W301 HydrophobicContact CG-CZ2 3.83Å; E172-W301 PolarHBondContact OE1-NE1 3.02Å; E172-W301 VanDerWaalsContact OE1-NE1 3.13Å; E172-W301 PolarHBondContact OE2-NE1 3.02Å; W301-R303 HydrophobicContact CH2-CG 3.65Å; W301-R303 HydrophobicContact CZ2-CG 4.08Å; W301-R303 HydrophobicContact CZ3-CG 4.17Å; W301-S307 WeakPolarHBondContact O-CA 3.4Å; W301-L308 HydrophobicContact CE3-CD1 4.39Å; W301-L308 HydrophobicContact CZ3-CD1 4.49Å; W301-L308 PolarHBondContact N-O 2.86Å; W301-L308 PolarHBondContact O-N 2.67Å
302	T	54.9	Low	70	Confident	88 Å²	88	50.3 Å²	50.3	54%	0.54	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	98.5	-163.6	-53.4	0	0	0	0	112.6
303	R	48.5	Very low	69.6	Low	138 Å²	138	50.4 Å²	50.4	52%	0.521	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	152.6	152.8	-94.3	-173.7	174.1	-170.8	0.5	109.2	W301 N305 Y306	W301-R303 HydrophobicContact CH2-CG 3.65Å; W301-R303 HydrophobicContact CZ2-CG 4.08Å; W301-R303 HydrophobicContact CZ3-CG 4.17Å; R303-N305 PolarHBondContact O-N 3.3Å; R303-Y306 PolarHBondContact N-O 3.09Å; R303-Y306 VanDerWaalsContact N-O 3.08Å; R303-Y306 PolarHBondContact O-N 2.92Å; R303-Y306 VanDerWaalsContact O-O 3.1Å
304	P	44	Very low	69.3	Low	127 Å²	127	51 Å²	51	83%	0.825	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-22.7	-170.8	17	-31.2	0	0	0	115.5
305	N	43	Very low	68.9	Low	117 Å²	117	53.4 Å²	53.4	63%	0.626	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-6.7	177.1	-64.4	20.1	0	0	0	114.2	R303	R303-N305 PolarHBondContact O-N 3.3Å
306	Y	54.8	Low	68.4	Low	68 Å²	68	57.8 Å²	57.8	27%	0.267	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	130.8	-169	-52.9	-66.6	0	0	0	113.3	R303 A506 M510	R303-Y306 PolarHBondContact N-O 3.09Å; R303-Y306 VanDerWaalsContact N-O 3.08Å; R303-Y306 PolarHBondContact O-N 2.92Å; R303-Y306 VanDerWaalsContact O-O 3.1Å; Y306-A506 HydrophobicContact CD1-CB 3.95Å; Y306-A506 HydrophobicContact CE1-CB 3.6Å; Y306-M510 HydrophobicContact CE2-CE 3.66Å; Y306-M510 WeakPolarHBondContact OH-CE 3.16Å; Y306-M510 WeakPolarHBondContact OH-CG 3.41Å
307	S	51.3	Low	68.1	Low	39 Å²	39	59.5 Å²	59.5	27%	0.273	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.6	173.6	63.3	0	0	0	0	110.8	R300 W301	R300-S307 PolarHBondContact NH1-OG 3.3Å; W301-S307 WeakPolarHBondContact O-CA 3.4Å
308	L	61	Low	68.4	Low	31 Å²	31	57.1 Å²	57.1	16%	0.162	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141.5	178.6	-58.1	102.4	0	0	0	111.1	W301 S312 L503	W301-L308 HydrophobicContact CE3-CD1 4.39Å; W301-L308 HydrophobicContact CZ3-CD1 4.49Å; W301-L308 PolarHBondContact N-O 2.86Å; W301-L308 PolarHBondContact O-N 2.67Å; L308-S312 VanDerWaalsContact CD2-OG 3.27Å; L308-S312 WeakPolarHBondContact CD2-OG 3.16Å; L308-L503 HydrophobicContact CD2-CD2 4.28Å
309	G	69.2	Low	68.8	Low	15 Å²	15	54 Å²	54	16%	0.155	30%	0.301	C	S	.	.			trans	-99.9	-178.5	177.7	0	0	0	0	0	113.6	T311 S312	G309-T311 PolarHBondContact O-N 2.74Å; G309-S312 PolarHBondContact O-N 2.72Å
310	I	78.6	Confident	69.1	Low	2 Å²	2	57 Å²	57	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-53.7	-31.9	-172.3	-168.7	166.3	0	0	0	115.2	L105 F173 L296 S312 L313 L314 A322	L105-I310 HydrophobicContact CD1-CD1 4.08Å; L105-I310 HydrophobicContact CD2-CD1 3.74Å; F173-I310 HydrophobicContact CZ-CB 4.12Å; F173-I310 HydrophobicContact CZ-CG1 4.5Å; L296-I310 HydrophobicContact CB-CB 4.47Å; L296-I310 HydrophobicContact CB-CD1 3.98Å; L296-I310 HydrophobicContact CB-CG2 4.14Å; L296-I310 HydrophobicContact CD1-CD1 4.23Å; L296-I310 HydrophobicContact CD2-CD1 3.99Å; L296-I310 HydrophobicContact CG-CD1 4.3Å; L296-I310 WeakPolarHBondContact O-CB 3.08Å; L296-I310 VanDerWaalsContact O-CG2 3.23Å; L296-I310 WeakPolarHBondContact O-CG2 3.3Å; I310-S312 PolarHBondContact O-N 3.05Å; I310-L313 PolarHBondContact O-N 3.5Å; I310-L313 VanDerWaalsContact O-N 3.12Å; I310-L314 HydrophobicContact CG1-CD1 4.14Å; I310-L314 HydrophobicContact CG1-CG 4.36Å; I310-L314 WeakPolarHBondContact O-CG 3.48Å; I310-L314 PolarHBondContact O-N 2.92Å; I310-A322 HydrophobicContact CD1-CB 4.35Å
311	T	78.4	Confident	69.9	Low	60 Å²	60	51.4 Å²	51.4	37%	0.368	30%	0.301	S	S	.	.	H	α-helix	trans	-61.3	-32.3	178.1	50.4	0	0	0	0	112.3	G309 A315	G309-T311 PolarHBondContact O-N 2.74Å; T311-A315 WeakPolarHBondContact O-CB 3.35Å; T311-A315 PolarHBondContact O-N 3.08Å; T311-A315 VanDerWaalsContact O-N 3.11Å
312	S	76.3	Confident	71.1	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.014	31%	0.306	C	S	.	.	H	α-helix	trans	-77.1	-37.6	172.8	-174.2	0	0	0	0	112.5	L308 G309 I310 L314 A315 N316	L308-S312 VanDerWaalsContact CD2-OG 3.27Å; L308-S312 WeakPolarHBondContact CD2-OG 3.16Å; G309-S312 PolarHBondContact O-N 2.72Å; I310-S312 PolarHBondContact O-N 3.05Å; S312-L314 VanDerWaalsContact C-N 3.26Å; S312-L314 PolarHBondContact O-N 3.49Å; S312-A315 PolarHBondContact O-N 3.49Å; S312-N316 VanDerWaalsContact O-CB 3.29Å; S312-N316 WeakPolarHBondContact O-CB 3.12Å; S312-N316 PolarHBondContact O-N 3.28Å; S312-N316 PolarHBondContact O-ND2 3.02Å; S312-N316 PolarHBondContact OG-ND2 3.16Å
313	L	81.6	Confident	72.9	Confident	4 Å²	4	47.7 Å²	47.7	2%	0.021	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-34.8	176.1	-62.6	178	0	0	0	111.9	F173 I310 G317 V318 Y319	F173-L313 HydrophobicContact CB-CD1 4.07Å; F173-L313 HydrophobicContact CD1-CD1 3.8Å; F173-L313 HydrophobicContact CD2-CD1 3.64Å; F173-L313 HydrophobicContact CE1-CD1 4.09Å; F173-L313 HydrophobicContact CE2-CD1 3.95Å; F173-L313 HydrophobicContact CG-CD1 3.56Å; F173-L313 HydrophobicContact CZ-CD1 4.17Å; I310-L313 PolarHBondContact O-N 3.5Å; I310-L313 VanDerWaalsContact O-N 3.12Å; L313-G317 PolarHBondContact O-N 2.94Å; L313-V318 HydrophobicContact CB-CB 4.27Å; L313-V318 HydrophobicContact CD2-CB 4.34Å; L313-V318 HydrophobicContact CD2-CG1 4.36Å; L313-V318 HydrophobicContact CD2-CG2 4.22Å; L313-V318 WeakPolarHBondContact O-CB 3.29Å; L313-V318 PolarHBondContact O-N 3.39Å; L313-Y319 HydrophobicContact CB-CD2 4.13Å; L313-Y319 HydrophobicContact CD1-CD2 4.47Å; L313-Y319 HydrophobicContact CD1-CE2 4.18Å; L313-Y319 PolarHBondContact O-N 3.48Å
314	L	83.7	Confident	75	Confident	59 Å²	59	41.2 Å²	41.2	31%	0.309	26%	0.258	S	S	.	.	H	α-helix	trans	-69.8	-47	170.9	-70.2	164.3	0	0	0	111.9	I310 S312 N316 G317 A322	I310-L314 HydrophobicContact CG1-CD1 4.14Å; I310-L314 HydrophobicContact CG1-CG 4.36Å; I310-L314 WeakPolarHBondContact O-CG 3.48Å; I310-L314 PolarHBondContact O-N 2.92Å; S312-L314 VanDerWaalsContact C-N 3.26Å; S312-L314 PolarHBondContact O-N 3.49Å; L314-N316 VanDerWaalsContact C-N 3.29Å; L314-N316 PolarHBondContact O-N 2.98Å; L314-G317 PolarHBondContact O-N 3.07Å; L314-G317 VanDerWaalsContact O-N 3.07Å; L314-A322 HydrophobicContact CD1-CB 3.89Å; L314-A322 HydrophobicContact CD2-CB 4Å; L314-A322 HydrophobicContact CG-CB 4.5Å
315	A	75.8	Confident	77.1	Confident	81 Å²	81	35.4 Å²	35.4	67%	0.669	22%	0.22	S	C	*	.	H	α-helix	trans	-62.2	-34.4	178.6	0	0	0	0	0	113.3	T311 S312 G317	T311-A315 WeakPolarHBondContact O-CB 3.35Å; T311-A315 PolarHBondContact O-N 3.08Å; T311-A315 VanDerWaalsContact O-N 3.11Å; S312-A315 PolarHBondContact O-N 3.49Å; A315-G317 VanDerWaalsContact C-N 3.28Å; A315-G317 PolarHBondContact O-N 2.98Å
316	N	76.8	Confident	79.3	Confident	92 Å²	92	29.9 Å²	29.9	49%	0.492	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.5	176.6	-65.6	-25	0	0	0	113.4	S312 L314 V318	S312-N316 VanDerWaalsContact O-CB 3.29Å; S312-N316 WeakPolarHBondContact O-CB 3.12Å; S312-N316 PolarHBondContact O-N 3.28Å; S312-N316 PolarHBondContact O-ND2 3.02Å; S312-N316 PolarHBondContact OG-ND2 3.16Å; L314-N316 VanDerWaalsContact C-N 3.29Å; L314-N316 PolarHBondContact O-N 2.98Å; N316-V318 VanDerWaalsContact C-N 3.29Å; N316-V318 HydrophobicContact CB-CG2 4.11Å; N316-V318 PolarHBondContact O-N 3.48Å
317	G	80.1	Confident	80.4	Confident	36 Å²	36	27.5 Å²	27.5	37%	0.371	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	24.5	-179.4	0	0	0	0	0	114.9	L313 L314 A315	L313-G317 PolarHBondContact O-N 2.94Å; L314-G317 PolarHBondContact O-N 3.07Å; L314-G317 VanDerWaalsContact O-N 3.07Å; A315-G317 VanDerWaalsContact C-N 3.28Å; A315-G317 PolarHBondContact O-N 2.98Å
318	V	85.2	Confident	81.5	Confident	3 Å²	3	26.1 Å²	26.1	2%	0.018	17%	0.174	C	C	.	.	S	Bend	trans	-72.9	-42	174.5	179.1	0	0	0	0	110	K166 K169 R170 L313 N316	K166-V318 HydrophobicContact CG-CG2 4.27Å; K169-V318 HydrophobicContact CB-CG1 4.19Å; K169-V318 HydrophobicContact CD-CG2 4.38Å; R170-V318 HydrophobicContact CG-CG1 3.5Å; R170-V318 VanDerWaalsContact CG-CG1 3.5Å; R170-V318 PolarHBondContact NH1-O 3.21Å; L313-V318 HydrophobicContact CB-CB 4.27Å; L313-V318 HydrophobicContact CD2-CB 4.34Å; L313-V318 HydrophobicContact CD2-CG1 4.36Å; L313-V318 HydrophobicContact CD2-CG2 4.22Å; L313-V318 WeakPolarHBondContact O-CB 3.29Å; L313-V318 PolarHBondContact O-N 3.39Å; N316-V318 VanDerWaalsContact C-N 3.29Å; N316-V318 HydrophobicContact CB-CG2 4.11Å; N316-V318 PolarHBondContact O-N 3.48Å
319	Y	88.2	Confident	81.9	Confident	1 Å²	1	27.8 Å²	27.8	0%	0.004	18%	0.183	C	C	.	.	S	Bend	trans	-111.4	146.7	162.2	-66.5	-71.6	0	0	0	109.2	L105 T106 Y107 R170 F173 E174 L313	L105-Y319 HydrophobicContact CB-CD1 3.98Å; L105-Y319 HydrophobicContact CB-CE1 4.17Å; L105-Y319 HydrophobicContact CB-CG 4.49Å; L105-Y319 HydrophobicContact CD1-CD1 4.42Å; L105-Y319 HydrophobicContact CD1-CD2 4.36Å; L105-Y319 HydrophobicContact CD1-CE1 4.17Å; L105-Y319 HydrophobicContact CD1-CE2 4.09Å; T106-Y319 CarbonylContact O-C 3.57Å; T106-Y319 WeakPolarHBondContact O-CA 3.42Å; T106-Y319 WeakPolarHBondContact O-CB 3.27Å; Y107-Y319 HydrophobicContact CD1-CD1 4.25Å; Y107-Y319 HydrophobicContact CD1-CE1 4.12Å; R170-Y319 HydrophobicContact CG-CE1 3.94Å; R170-Y319 HydrophobicContact CG-CE2 4.29Å; F173-Y319 AromaticContact CD1-CE2 3.88Å; F173-Y319 HydrophobicContact CD1-CE2 3.88Å; F173-Y319 HydrophobicContact CE1-CE2 4.25Å; E174-Y319 WeakPolarHBondContact CG-OH 3.49Å; E174-Y319 PolarHBondContact OE1-OH 2.71Å; L313-Y319 HydrophobicContact CB-CD2 4.13Å; L313-Y319 HydrophobicContact CD1-CD2 4.47Å; L313-Y319 HydrophobicContact CD1-CE2 4.18Å; L313-Y319 PolarHBondContact O-N 3.48Å
320	T	85.4	Confident	81.8	Confident	79 Å²	79	27.7 Å²	27.7	49%	0.485	18%	0.179	S	C	.	.	S	Bend	trans	-91.4	-30.8	-178	56.4	0	0	0	0	113.3	T106	T106-T320 PolarHBondContact O-N 3.47Å; T106-T320 PolarHBondContact O-OG1 2.89Å; T106-T320 PolarHBondContact OG1-OG1 3.05Å
321	S	86.7	Confident	80.8	Confident	17 Å²	17	34.9 Å²	34.9	12%	0.119	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	159.4	171.5	68.4	0	0	0	0	112	T106 Y323 H733 R789	T106-S321 PolarHBondContact N-O 3.49Å; T106-S321 PolarHBondContact OG1-N 3.27Å; T106-S321 VanDerWaalsContact OG1-N 3.15Å; T106-S321 PolarHBondContact OG1-O 2.84Å; T106-S321 PolarHBondContact OG1-OG 3.22Å; S321-Y323 WeakPolarHBondContact OG-CE1 3.29Å; S321-H733 PolarHBondContact OG-CE1 2.89Å; S321-R789 VanDerWaalsContact CB-NH1 3.33Å; S321-R789 PolarHBondContact OG-NH1 3.49Å
322	A	90.6	Very high	79.8	Confident	22 Å²	22	33.1 Å²	33.1	18%	0.182	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	115.2	-176	0	0	0	0	0	109	Y103 V104 L105 I310 L314	Y103-A322 HydrophobicContact CE1-CB 4.02Å; Y103-A322 PolarHBondContact OH-O 3.06Å; V104-A322 WeakPolarHBondContact O-CA 3.39Å; L105-A322 HydrophobicContact CD2-CB 3.43Å; L105-A322 VanDerWaalsContact CD2-CB 3.43Å; I310-A322 HydrophobicContact CD1-CB 4.35Å; L314-A322 HydrophobicContact CD1-CB 3.89Å; L314-A322 HydrophobicContact CD2-CB 4Å; L314-A322 HydrophobicContact CG-CB 4.5Å
323	Y	91.4	Very high	78.6	Confident	8 Å²	8	40 Å²	40	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	150.3	-172.2	55.6	-78.2	0	0	0	113.4	Y103 V104 T106 S321 L325 Y729 D732 H733 R789	Y103-Y323 VanDerWaalsContact CE1-N 3.29Å; V104-Y323 HydrophobicContact CG1-CE1 4.46Å; V104-Y323 PolarHBondContact N-O 2.92Å; V104-Y323 PolarHBondContact O-N 3.49Å; T106-Y323 HydrophobicContact CG2-CE1 3.99Å; S321-Y323 WeakPolarHBondContact OG-CE1 3.29Å; Y323-L325 HydrophobicContact CD2-CD2 4.26Å; Y323-L325 HydrophobicContact CE2-CD2 3.85Å; Y323-Y729 PolarHBondContact OH-O 2.92Å; Y323-Y729 VanDerWaalsContact OH-O 3.13Å; Y323-D732 HydrophobicContact CE2-CB 3.96Å; Y323-H733 AromaticContact CE1-ND1 3.88Å; Y323-H733 WeakPolarHBondContact OH-CB 3.27Å; Y323-H733 PolarHBondContact OH-ND1 3.45Å; Y323-R789 VanDerWaalsContact CD1-NH1 3.28Å; Y323-R789 VanDerWaalsContact CE1-NH1 3.3Å
324	P	92.3	Very high	77	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.013	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-77.6	156	167.3	33.3	-33.3	0	0	0	111.3	Y103 S289 R790 I792	Y103-P324 HydrophobicContact CD2-CB 4.2Å; Y103-P324 HydrophobicContact CE2-CB 4.22Å; Y103-P324 HydrophobicContact CE2-CG 4.4Å; S289-P324 WeakPolarHBondContact OG-CB 3.39Å; P324-R790 HydrophobicContact CG-CB 4.19Å; P324-R790 HydrophobicContact CG-CG 4.22Å; P324-R790 WeakPolarHBondContact CG-O 3.29Å; P324-I792 HydrophobicContact CG-CG1 4.38Å
325	L	89.1	Confident	75.6	Confident	6 Å²	6	45.6 Å²	45.6	3%	0.031	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-88	155.9	-179.4	-63.4	-173.1	0	0	0	113.2	V101 V104 Y323 R728 D732 R790	V101-L325 HydrophobicContact CB-CD1 3.96Å; V101-L325 HydrophobicContact CG1-CD1 3.69Å; V101-L325 HydrophobicContact CG1-CG 4.32Å; V104-L325 HydrophobicContact CB-CD2 4.41Å; V104-L325 HydrophobicContact CG2-CD1 3.98Å; V104-L325 HydrophobicContact CG2-CD2 3.81Å; V104-L325 HydrophobicContact CG2-CG 3.87Å; Y323-L325 HydrophobicContact CD2-CD2 4.26Å; Y323-L325 HydrophobicContact CE2-CD2 3.85Å; L325-R728 HydrophobicContact CD1-CG 4.49Å; L325-D732 HydrophobicContact CD2-CB 4.24Å; L325-R790 WeakPolarHBondContact O-CD 3.16Å; L325-R790 PolarHBondContact O-NH1 2.89Å
326	H	88.6	Confident	74.8	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-79.6	136	164.2	-71	-84.2	0	0	0	110.6	G328 R340 Y365 R728 D732 L788 R790	H326-G328 PolarHBondContact O-N 3.45Å; H326-G328 VanDerWaalsContact O-N 3.08Å; H326-R340 VanDerWaalsContact CB-NH1 3.26Å; H326-Y365 AromaticContact ND1-CE1 3.86Å; H326-Y365 AromaticContact ND1-CZ 3.81Å; H326-Y365 PolarHBondContact ND1-OH 3.05Å; H326-R728 WeakPolarHBondContact O-CD 3Å; H326-D732 IonicContact CD2-OD1 3.05Å; H326-D732 PolarHBondContact CD2-OD1 3.3Å; H326-D732 IonicContact CD2-OD2 3.97Å; H326-D732 PolarHBondContact N-OD2 2.77Å; H326-D732 VanDerWaalsContact N-OD2 3.09Å; H326-L788 PolarHBondContact NE2-O 3.1Å; H326-R790 PolarHBondContact NE2-N 2.95Å
327	D	78.4	Confident	74.3	Confident	18 Å²	18	50.7 Å²	50.7	10%	0.096	31%	0.312	C	S	.	.	S	Bend	trans	-65	-15.6	-170.9	-57.6	-49.1	0	0	0	115.1	R100 S285 N338 Y365 R790	R100-D327 IonicContact CZ-OD1 3.46Å; R100-D327 IonicContact NH2-OD1 2.7Å; R100-D327 PolarHBondContact NH2-OD1 3.49Å; S285-D327 PolarHBondContact OG-OD1 3.49Å; D327-N338 PolarHBondContact O-OD1 2.86Å; D327-Y365 HydrophobicContact CB-CE2 4.42Å; D327-Y365 WeakPolarHBondContact OD2-CE2 3.17Å; D327-R790 IonicContact OD1-NH1 2.75Å; D327-R790 PolarHBondContact OD1-NH1 2.97Å; D327-R790 IonicContact OD2-CZ 3.06Å; D327-R790 IonicContact OD2-NH1 2.96Å; D327-R790 PolarHBondContact OD2-NH1 3.39Å; D327-R790 IonicContact OD2-NH2 2.67Å; D327-R790 PolarHBondContact OD2-NH2 2.76Å; D327-R790 VanDerWaalsContact OD2-NH2 3.12Å
328	G	74.8	Confident	74.2	Confident	9 Å²	9	50.3 Å²	50.3	9%	0.093	30%	0.302	C	S	.	.			trans	-170.9	178.2	178	0	0	0	0	0	114.9	H326 R340 R728	H326-G328 PolarHBondContact O-N 3.45Å; H326-G328 VanDerWaalsContact O-N 3.08Å; G328-R340 PolarHBondContact O-NH1 2.93Å; G328-R728 PolarHBondContact O-NH1 3.01Å
329	D	69.5	Low	74.1	Confident	67 Å²	67	52.1 Å²	52.1	36%	0.358	31%	0.312	S	S	.	.			trans	-93.9	160	171.3	-125.2	-6.6	0	0	0	111.8	R728 K731	D329-R728 IonicContact OD1-CZ 3.09Å; D329-R728 IonicContact OD1-NH1 2.72Å; D329-R728 PolarHBondContact OD1-NH1 3.46Å; D329-R728 IonicContact OD2-NH1 3.96Å; D329-K731 IonicContact OD2-NZ 3.06Å; D329-K731 PolarHBondContact OD2-NZ 3.1Å
330	I	66.9	Low	74	Confident	12 Å²	12	52.5 Å²	52.5	6%	0.062	31%	0.313	C	S	.	.	S	Bend	trans	-98.8	-49.8	-170.5	-65.2	168.8	0	0	0	111.7	G332 R340 F344 V785 L786	I330-G332 PolarHBondContact O-N 3.4Å; I330-R340 HydrophobicContact CD1-CG 4.17Å; I330-R340 HydrophobicContact CG1-CG 4.27Å; I330-F344 HydrophobicContact CD1-CB 4.4Å; I330-F344 HydrophobicContact CD1-CG 4.47Å; I330-F344 HydrophobicContact CG2-CB 4.3Å; I330-F344 HydrophobicContact CG2-CD1 3.64Å; I330-F344 HydrophobicContact CG2-CE1 4.22Å; I330-F344 HydrophobicContact CG2-CG 4.02Å; I330-V785 HydrophobicContact CD1-CG1 3.97Å; I330-L786 HydrophobicContact CD1-CD2 3.35Å
331	D	57.7	Low	74	Confident	153 Å²	153	51 Å²	51	82%	0.818	30%	0.3	S	S	*	.	S	Bend	trans	-79	17.5	-169.9	-54.7	-37.1	0	0	0	114.3
332	G	56.3	Low	74	Confident	23 Å²	23	52.4 Å²	52.4	24%	0.237	31%	0.306	C	S	.	.			trans	-85.5	122.5	-179	0	0	0	0	0	112.9	I330 T334 K341	I330-G332 PolarHBondContact O-N 3.4Å; G332-T334 VanDerWaalsContact C-N 3.35Å; G332-K341 PolarHBondContact O-NZ 3Å
333	V	51.2	Low	74	Confident	147 Å²	147	51.4 Å²	51.4	89%	0.891	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-33.9	172.1	-178.8	0	0	0	0	111.4
334	T	48.7	Very low	73.8	Confident	144 Å²	144	53 Å²	53	88%	0.883	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	16.8	176.7	49.9	0	0	0	0	113.1	G332	G332-T334 VanDerWaalsContact C-N 3.35Å
335	A	53.7	Low	73.5	Confident	36 Å²	36	57.4 Å²	57.4	30%	0.298	33%	0.325	S	S	.	.			trans	-73	135.7	178.3	0	0	0	0	0	111.4
336	E	59.6	Low	73.3	Confident	141 Å²	141	58.5 Å²	58.5	66%	0.659	33%	0.33	S	S	*	.			trans	-52.6	154.2	170	-66.8	177.6	166	0	0	111.8	N338	E336-N338 PolarHBondContact O-N 3.4Å; E336-N338 PolarHBondContact O-ND2 2.71Å
337	P	65.3	Low	73.4	Confident	139 Å²	139	58.5 Å²	58.5	90%	0.903	33%	0.33	S	S	*	.			trans	-66.3	91.8	-178.5	26.7	-35	0	0	0	111.9
338	N	78	Confident	73.8	Confident	29 Å²	29	57.6 Å²	57.6	16%	0.155	33%	0.325	C	S	.	.			trans	-94.8	131.9	-173.4	-80.6	-67.1	0	0	0	112.6	D327 E336 R340 K341 L342	D327-N338 PolarHBondContact O-OD1 2.86Å; E336-N338 PolarHBondContact O-N 3.4Å; E336-N338 PolarHBondContact O-ND2 2.71Å; N338-R340 PolarHBondContact O-N 3.19Å; N338-K341 HydrophobicContact CB-CB 4.28Å; N338-K341 WeakPolarHBondContact O-CB 3.43Å; N338-K341 PolarHBondContact O-N 2.7Å; N338-L342 PolarHBondContact O-N 3.2Å; N338-L342 VanDerWaalsContact O-N 3.12Å
339	D	83	Confident	74.3	Confident	41 Å²	41	58.2 Å²	58.2	22%	0.219	33%	0.328	C	S	.	.	H	α-helix	trans	-50	-36.5	174.5	-81.2	-11.6	0	0	0	112.6	L343 K364 Y365	D339-L343 WeakPolarHBondContact O-CB 3.01Å; D339-L343 WeakPolarHBondContact O-CG 3.46Å; D339-L343 PolarHBondContact O-N 2.7Å; D339-K364 IonicContact OD1-NZ 2.8Å; D339-K364 PolarHBondContact OD1-NZ 2.77Å; D339-K364 WeakPolarHBondContact OD2-CE 3.28Å; D339-K364 IonicContact OD2-NZ 3.59Å; D339-K364 PolarHBondContact OD2-NZ 2.82Å; D339-Y365 HydrophobicContact CB-CD2 3.84Å; D339-Y365 HydrophobicContact CB-CE2 4.25Å
340	R	86.6	Confident	75	Confident	8 Å²	8	59.9 Å²	59.9	3%	0.03	33%	0.33	C	S	.	.	H	α-helix	trans	-64.8	-40.1	176.9	-166.6	-169.2	-172.5	167.9	9.3	112.9	H326 G328 I330 N338 L343 F344 Y365 V785	H326-R340 VanDerWaalsContact CB-NH1 3.26Å; G328-R340 PolarHBondContact O-NH1 2.93Å; I330-R340 HydrophobicContact CD1-CG 4.17Å; I330-R340 HydrophobicContact CG1-CG 4.27Å; N338-R340 PolarHBondContact O-N 3.19Å; R340-L343 PolarHBondContact O-N 2.76Å; R340-F344 PolarHBondContact O-N 3.46Å; R340-Y365 HydrophobicContact CB-CE2 4.16Å; R340-V785 HydrophobicContact CG-CG1 4.19Å; R340-V785 VanDerWaalsContact CZ-O 3.28Å; R340-V785 PolarHBondContact NE-O 2.8Å; R340-V785 PolarHBondContact NH2-O 2.93Å
341	K	86	Confident	75.8	Confident	48 Å²	48	63.5 Å²	63.5	21%	0.209	36%	0.356	C	S	.	.	H	α-helix	trans	-70.3	-42.5	179.9	-174.8	173	178.4	178.3	0	110	G332 N338 L343 F344 E345	G332-K341 PolarHBondContact O-NZ 3Å; N338-K341 HydrophobicContact CB-CB 4.28Å; N338-K341 WeakPolarHBondContact O-CB 3.43Å; N338-K341 PolarHBondContact O-N 2.7Å; K341-L343 PolarHBondContact O-N 3.04Å; K341-F344 WeakPolarHBondContact O-CB 3.48Å; K341-F344 PolarHBondContact O-N 2.95Å; K341-E345 WeakPolarHBondContact CE-OE1 3.48Å; K341-E345 WeakPolarHBondContact CG-OE1 3.31Å; K341-E345 WeakPolarHBondContact O-CG 3.3Å; K341-E345 PolarHBondContact O-N 3.12Å
342	L	87	Confident	77.1	Confident	47 Å²	47	56.9 Å²	56.9	25%	0.246	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-42.1	172.5	-176.3	60.2	0	0	0	112.5	V251 N338 F344 E345 E346 L361	V251-L342 HydrophobicContact CG1-CD2 4.22Å; N338-L342 PolarHBondContact O-N 3.2Å; N338-L342 VanDerWaalsContact O-N 3.12Å; L342-F344 VanDerWaalsContact C-N 3.3Å; L342-F344 PolarHBondContact O-N 3.1Å; L342-E345 PolarHBondContact O-N 3.42Å; L342-E346 HydrophobicContact CD1-CG 3.96Å; L342-E346 PolarHBondContact O-N 2.88Å; L342-L361 HydrophobicContact CB-CD2 4.43Å; L342-L361 HydrophobicContact CD2-CD2 3.84Å; L342-L361 HydrophobicContact CG-CD2 3.9Å
343	L	89.1	Confident	78.3	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-64.1	-32.2	172.4	-79.5	167.5	0	0	0	113.1	D339 R340 K341 W347 A348 P358 L361 I362 Y365 F366 V785	D339-L343 WeakPolarHBondContact O-CB 3.01Å; D339-L343 WeakPolarHBondContact O-CG 3.46Å; D339-L343 PolarHBondContact O-N 2.7Å; R340-L343 PolarHBondContact O-N 2.76Å; K341-L343 PolarHBondContact O-N 3.04Å; L343-W347 HydrophobicContact CB-CE3 4.43Å; L343-W347 HydrophobicContact CD2-CE3 3.85Å; L343-W347 HydrophobicContact CD2-CZ3 4.32Å; L343-W347 WeakPolarHBondContact O-CB 3.46Å; L343-W347 PolarHBondContact O-N 2.84Å; L343-A348 PolarHBondContact O-N 3.18Å; L343-P358 HydrophobicContact CD2-CG 4.43Å; L343-L361 HydrophobicContact CD1-CG 4.37Å; L343-L361 HydrophobicContact CD2-CB 4.2Å; L343-L361 HydrophobicContact CD2-CD2 3.74Å; L343-L361 HydrophobicContact CD2-CG 3.8Å; L343-L361 HydrophobicContact CG-CD2 3.73Å; L343-L361 HydrophobicContact CG-CG 3.88Å; L343-I362 HydrophobicContact CD2-CG1 3.86Å; L343-Y365 HydrophobicContact CD1-CD1 3.78Å; L343-Y365 HydrophobicContact CD1-CD2 4.37Å; L343-Y365 HydrophobicContact CD1-CG 3.66Å; L343-F366 HydrophobicContact CD1-CE2 4.25Å; L343-V785 HydrophobicContact CB-CG2 4.39Å
344	F	88.1	Confident	79.8	Confident	42 Å²	42	60.5 Å²	60.5	18%	0.184	32%	0.316	C	S	.	.	H	α-helix	trans	-71.2	-46.9	176	-175.5	-109.4	0	0	0	112	I330 R340 K341 L342 A348 S349 V785 L786	I330-F344 HydrophobicContact CD1-CB 4.4Å; I330-F344 HydrophobicContact CD1-CG 4.47Å; I330-F344 HydrophobicContact CG2-CB 4.3Å; I330-F344 HydrophobicContact CG2-CD1 3.64Å; I330-F344 HydrophobicContact CG2-CE1 4.22Å; I330-F344 HydrophobicContact CG2-CG 4.02Å; R340-F344 PolarHBondContact O-N 3.46Å; K341-F344 WeakPolarHBondContact O-CB 3.48Å; K341-F344 PolarHBondContact O-N 2.95Å; L342-F344 VanDerWaalsContact C-N 3.3Å; L342-F344 PolarHBondContact O-N 3.1Å; F344-A348 HydrophobicContact CD2-CB 4.1Å; F344-A348 PolarHBondContact O-N 3.21Å; F344-S349 WeakPolarHBondContact O-CB 3.3Å; F344-S349 PolarHBondContact O-N 3.07Å; F344-S349 VanDerWaalsContact O-N 3.15Å; F344-S349 PolarHBondContact O-OG 3.03Å; F344-V785 HydrophobicContact CB-CG1 4.03Å; F344-V785 HydrophobicContact CD2-CG1 4.1Å; F344-L786 HydrophobicContact CD2-CD2 4.06Å; F344-L786 HydrophobicContact CD2-CG 4.37Å; F344-L786 HydrophobicContact CE2-CD1 3.86Å; F344-L786 HydrophobicContact CE2-CD2 4.08Å; F344-L786 HydrophobicContact CE2-CG 4.17Å
345	E	86.5	Confident	81.5	Confident	95 Å²	95	55 Å²	55	44%	0.444	28%	0.28	S	S	.	.	H	α-helix	trans	-71.3	-48.8	-176.5	-69.8	170.5	-173.6	0	0	112.2	K341 L342	K341-E345 WeakPolarHBondContact CE-OE1 3.48Å; K341-E345 WeakPolarHBondContact CG-OE1 3.31Å; K341-E345 WeakPolarHBondContact O-CG 3.3Å; K341-E345 PolarHBondContact O-N 3.12Å; L342-E345 PolarHBondContact O-N 3.42Å
346	E	85.5	Confident	82.9	Confident	29 Å²	29	58.3 Å²	58.3	14%	0.136	29%	0.285	C	S	.	.	H	α-helix	trans	-88.8	-10	-173.9	-74.4	-67.3	105.5	0	0	115.1	P249 K250 L342 V352 K355	P249-E346 WeakPolarHBondContact CA-OE2 3.34Å; P249-E346 HydrophobicContact CB-CB 4.15Å; K250-E346 PolarHBondContact N-OE2 2.82Å; L342-E346 HydrophobicContact CD1-CG 3.96Å; L342-E346 PolarHBondContact O-N 2.88Å; E346-V352 WeakPolarHBondContact O-CG1 3.35Å; E346-K355 IonicContact OE1-NZ 3.09Å; E346-K355 PolarHBondContact OE1-NZ 2.67Å; E346-K355 IonicContact OE2-NZ 2.66Å; E346-K355 PolarHBondContact OE2-NZ 2.9Å
347	W	89.3	Confident	84.2	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.1	-51.7	-174	173	62.1	0	0	0	115.4	L343 S349 P358 I362 F366 F374 R778 A781 V785	L343-W347 HydrophobicContact CB-CE3 4.43Å; L343-W347 HydrophobicContact CD2-CE3 3.85Å; L343-W347 HydrophobicContact CD2-CZ3 4.32Å; L343-W347 WeakPolarHBondContact O-CB 3.46Å; L343-W347 PolarHBondContact O-N 2.84Å; W347-S349 VanDerWaalsContact C-N 3.29Å; W347-S349 PolarHBondContact O-N 3.23Å; W347-P358 HydrophobicContact CB-CG 3.78Å; W347-P358 HydrophobicContact CG-CG 4.1Å; W347-I362 HydrophobicContact CD2-CD1 3.87Å; W347-I362 HydrophobicContact CD2-CG1 4.2Å; W347-I362 VanDerWaalsContact CE2-CD1 3.42Å; W347-I362 HydrophobicContact CE3-CD1 4.34Å; W347-I362 HydrophobicContact CE3-CG1 4.18Å; W347-I362 HydrophobicContact CG-CD1 4.43Å; W347-I362 HydrophobicContact CH2-CD1 4Å; W347-I362 HydrophobicContact CH2-CG1 4.05Å; W347-I362 HydrophobicContact CH2-CG2 4.36Å; W347-I362 HydrophobicContact CZ2-CD1 3.49Å; W347-I362 VanDerWaalsContact CZ2-CD1 3.49Å; W347-I362 HydrophobicContact CZ2-CG1 4.06Å; W347-I362 HydrophobicContact CZ3-CD1 4.4Å; W347-I362 HydrophobicContact CZ3-CG1 4.12Å; W347-F366 HydrophobicContact CZ3-CE2 4.15Å; W347-F374 AromaticContact CH2-CD2 3.99Å; W347-F374 HydrophobicContact CH2-CD2 3.99Å; W347-F374 HydrophobicContact CH2-CE1 4.22Å; W347-F374 AromaticContact CH2-CE2 3.64Å; W347-F374 HydrophobicContact CH2-CE2 3.64Å; W347-F374 HydrophobicContact CH2-CG 4.42Å; W347-F374 AromaticContact CH2-CZ 3.75Å; W347-F374 HydrophobicContact CH2-CZ 3.75Å; W347-F374 AromaticContact CZ2-CD1 3.68Å; W347-F374 HydrophobicContact CZ2-CD1 3.68Å; W347-F374 AromaticContact CZ2-CD2 3.78Å; W347-F374 HydrophobicContact CZ2-CD2 3.78Å; W347-F374 AromaticContact CZ2-CE1 3.63Å; W347-F374 HydrophobicContact CZ2-CE1 3.63Å; W347-F374 AromaticContact CZ2-CE2 3.74Å; W347-F374 HydrophobicContact CZ2-CE2 3.74Å; W347-F374 AromaticContact CZ2-CG 3.75Å; W347-F374 HydrophobicContact CZ2-CG 3.75Å; W347-F374 AromaticContact CZ2-CZ 3.66Å; W347-F374 HydrophobicContact CZ2-CZ 3.66Å; W347-R778 VanDerWaalsContact O-CD 3.29Å; W347-R778 WeakPolarHBondContact O-CD 3.28Å; W347-R778 PolarHBondContact O-NH1 3.3Å; W347-A781 HydrophobicContact CD2-CB 3.66Å; W347-A781 VanDerWaalsContact CE2-CB 3.44Å; W347-A781 HydrophobicContact CE3-CB 3.81Å; W347-A781 HydrophobicContact CG-CB 4.41Å; W347-A781 HydrophobicContact CH2-CB 3.63Å; W347-A781 HydrophobicContact CZ2-CB 3.45Å; W347-A781 VanDerWaalsContact CZ2-CB 3.45Å; W347-A781 HydrophobicContact CZ3-CB 3.79Å; W347-V785 HydrophobicContact CE3-CG2 4.38Å; W347-V785 HydrophobicContact CZ3-CG2 3.97Å
348	A	86.9	Confident	85.3	Confident	0 Å²	0	47 Å²	47	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-81.8	0	-175.5	0	0	0	0	0	115.1	L343 F344 A781 K782 V785	L343-A348 PolarHBondContact O-N 3.18Å; F344-A348 HydrophobicContact CD2-CB 4.1Å; F344-A348 PolarHBondContact O-N 3.21Å; A348-A781 HydrophobicContact CB-CB 3.88Å; A348-K782 HydrophobicContact CB-CB 4.41Å; A348-V785 HydrophobicContact CB-CB 4.38Å; A348-V785 HydrophobicContact CB-CG2 4.29Å
349	S	84.9	Confident	85.8	Confident	21 Å²	21	46.9 Å²	46.9	15%	0.147	22%	0.22	C	C	.	.			trans	-86.9	126.8	177.4	-72.6	0	0	0	0	112.1	F344 W347 S351 V352	F344-S349 WeakPolarHBondContact O-CB 3.3Å; F344-S349 PolarHBondContact O-N 3.07Å; F344-S349 VanDerWaalsContact O-N 3.15Å; F344-S349 PolarHBondContact O-OG 3.03Å; W347-S349 VanDerWaalsContact C-N 3.29Å; W347-S349 PolarHBondContact O-N 3.23Å; S349-S351 PolarHBondContact O-N 3.42Å; S349-V352 WeakPolarHBondContact O-CB 3.15Å; S349-V352 PolarHBondContact O-N 2.71Å
350	Y	84.1	Confident	86	Confident	103 Å²	103	47.4 Å²	47.4	40%	0.404	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-59	-31.5	-177.9	-59.5	-37.5	0	0	0	113.7	V352 F353 R778 L779 K782	Y350-V352 PolarHBondContact O-N 3.36Å; Y350-V352 VanDerWaalsContact O-N 3.15Å; Y350-F353 PolarHBondContact O-N 2.89Å; Y350-R778 HydrophobicContact CD1-CB 3.95Å; Y350-R778 HydrophobicContact CE1-CB 4.38Å; Y350-L779 HydrophobicContact CE1-CD2 4.05Å; Y350-L779 WeakPolarHBondContact OH-CD2 3.18Å; Y350-K782 HydrophobicContact CE1-CD 4.06Å
351	S	83.6	Confident	86	Confident	88 Å²	88	47.7 Å²	47.7	62%	0.615	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-63.6	-13.6	175.3	46.1	0	0	0	0	114	S349 Y354	S349-S351 PolarHBondContact O-N 3.42Å; S351-Y354 VanDerWaalsContact O-CE1 3.31Å; S351-Y354 WeakPolarHBondContact O-CE1 3.49Å
352	V	85.4	Confident	86.3	Confident	13 Å²	13	45.4 Å²	45.4	8%	0.079	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-108.2	19.1	-172.2	-165.8	0	0	0	0	111.1	E346 S349 Y350 Y354 K355 R778	E346-V352 WeakPolarHBondContact O-CG1 3.35Å; S349-V352 WeakPolarHBondContact O-CB 3.15Å; S349-V352 PolarHBondContact O-N 2.71Å; Y350-V352 PolarHBondContact O-N 3.36Å; Y350-V352 VanDerWaalsContact O-N 3.15Å; V352-Y354 PolarHBondContact O-N 3.29Å; V352-Y354 VanDerWaalsContact O-N 3.07Å; V352-K355 HydrophobicContact CG1-CB 3.92Å; V352-K355 HydrophobicContact CG1-CD 3.44Å; V352-K355 VanDerWaalsContact CG1-CD 3.44Å; V352-K355 HydrophobicContact CG1-CG 3.64Å; V352-K355 PolarHBondContact O-N 3.06Å; V352-K355 VanDerWaalsContact O-N 3.13Å; V352-R778 VanDerWaalsContact O-CZ 3.3Å; V352-R778 PolarHBondContact O-NH1 3.32Å; V352-R778 PolarHBondContact O-NH2 2.89Å
353	F	82.9	Confident	86.4	Confident	121 Å²	121	46.1 Å²	46.1	53%	0.531	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-29.6	-175.2	73	-89.4	0	0	0	114.4	Y350 I774 R778	Y350-F353 PolarHBondContact O-N 2.89Å; F353-I774 HydrophobicContact CB-CG2 4.32Å; F353-I774 HydrophobicContact CD2-CG2 4.07Å; F353-R778 VanDerWaalsContact C-NH2 3.33Å; F353-R778 PolarHBondContact O-NH2 3.33Å
354	Y	82.3	Confident	86.4	Confident	125 Å²	125	49.6 Å²	49.6	49%	0.49	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-16.2	-177.9	61.5	-94.7	0	0	0	115	L247 S351 V352	L247-Y354 HydrophobicContact CD2-CD2 4.08Å; S351-Y354 VanDerWaalsContact O-CE1 3.31Å; S351-Y354 WeakPolarHBondContact O-CE1 3.49Å; V352-Y354 PolarHBondContact O-N 3.29Å; V352-Y354 VanDerWaalsContact O-N 3.07Å
355	K	83.4	Confident	86.5	Confident	28 Å²	28	47.7 Å²	47.7	12%	0.122	23%	0.234	C	C	.	.	S	Bend	trans	-79.3	147.4	179.6	-66.1	-168	-169.4	166.4	0	112.2	L247 E346 V352 R778	L247-K355 CarbonylContact O-C 3.59Å; L247-K355 VanDerWaalsContact O-CA 3.24Å; L247-K355 WeakPolarHBondContact O-CA 3.45Å; L247-K355 WeakPolarHBondContact O-CB 3.32Å; E346-K355 IonicContact OE1-NZ 3.09Å; E346-K355 PolarHBondContact OE1-NZ 2.67Å; E346-K355 IonicContact OE2-NZ 2.66Å; E346-K355 PolarHBondContact OE2-NZ 2.9Å; V352-K355 HydrophobicContact CG1-CB 3.92Å; V352-K355 HydrophobicContact CG1-CD 3.44Å; V352-K355 VanDerWaalsContact CG1-CD 3.44Å; V352-K355 HydrophobicContact CG1-CG 3.64Å; V352-K355 PolarHBondContact O-N 3.06Å; V352-K355 VanDerWaalsContact O-N 3.13Å; K355-R778 PolarHBondContact O-NH2 3.3Å
356	Y	83.7	Confident	86.7	Confident	107 Å²	107	43.3 Å²	43.3	42%	0.42	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-58.8	150.6	169	-70.5	-67.8	0	0	0	112.1	T244 L247 H248 P249	T244-Y356 HydrophobicContact CG2-CE2 4.31Å; L247-Y356 HydrophobicContact CB-CD2 3.74Å; L247-Y356 HydrophobicContact CB-CE2 3.69Å; L247-Y356 HydrophobicContact CD1-CE2 4.09Å; L247-Y356 PolarHBondContact O-N 3.43Å; H248-Y356 AromaticContact CE1-CD2 3.79Å; H248-Y356 AromaticContact CE1-CE2 3.93Å; H248-Y356 AromaticContact ND1-CD2 3.91Å; P249-Y356 WeakPolarHBondContact CD-O 3.48Å
357	Q	86.4	Confident	86.9	Confident	30 Å²	30	41.9 Å²	41.9	14%	0.14	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-76.7	131.7	-177.9	-61	-169.9	72.5	0	0	111.6	I359 F374 I777	Q357-I359 HydrophobicContact CB-CG1 4.16Å; Q357-I359 PolarHBondContact O-N 2.78Å; Q357-F374 PolarHBondContact NE2-O 3.05Å; Q357-I777 HydrophobicContact CG-CG2 4.16Å
358	P	89.6	Confident	86.9	Confident	11 Å²	11	42.1 Å²	42.1	7%	0.071	21%	0.208	C	C	.	.			trans	-78.2	62.7	178.2	33.1	-35.6	0	0	0	111.8	P249 V251 L343 W347 G360 L361 I362	P249-P358 HydrophobicContact CB-CB 4.37Å; P249-P358 HydrophobicContact CG-CB 3.8Å; P249-P358 HydrophobicContact CG-CG 4.42Å; V251-P358 HydrophobicContact CG2-CB 3.88Å; L343-P358 HydrophobicContact CD2-CG 4.43Å; W347-P358 HydrophobicContact CB-CG 3.78Å; W347-P358 HydrophobicContact CG-CG 4.1Å; P358-G360 PolarHBondContact O-N 3.04Å; P358-L361 HydrophobicContact CB-CB 4.22Å; P358-L361 PolarHBondContact O-N 2.96Å; P358-I362 HydrophobicContact CG-CD1 4.41Å; P358-I362 HydrophobicContact CG-CG1 4.49Å; P358-I362 WeakPolarHBondContact O-CG1 3.48Å; P358-I362 PolarHBondContact O-N 3.16Å
359	I	87.9	Confident	87.1	Confident	27 Å²	27	44.8 Å²	44.8	14%	0.138	22%	0.219	C	C	.	.	H	α-helix	trans	-51.2	-36.8	-173.5	-66.6	166.4	0	0	0	112.6	Q357 I362 R363 A375 W480	Q357-I359 HydrophobicContact CB-CG1 4.16Å; Q357-I359 PolarHBondContact O-N 2.78Å; I359-I362 PolarHBondContact O-N 3.27Å; I359-R363 WeakPolarHBondContact O-CB 3.43Å; I359-R363 PolarHBondContact O-N 2.97Å; I359-A375 HydrophobicContact CD1-CB 3.97Å; I359-A375 HydrophobicContact CG2-CB 4.32Å; I359-W480 HydrophobicContact CG2-CH2 4.49Å; I359-W480 HydrophobicContact CG2-CZ2 3.72Å
360	G	85.9	Confident	87.4	Confident	53 Å²	53	44 Å²	44	55%	0.546	21%	0.214	S	C	.	.	H	α-helix	trans	-63.5	-41.6	176	0	0	0	0	0	113.9	P358 R363 K364	P358-G360 PolarHBondContact O-N 3.04Å; G360-R363 PolarHBondContact O-N 2.88Å; G360-K364 PolarHBondContact O-N 2.91Å
361	L	88.1	Confident	87.8	Confident	14 Å²	14	39.1 Å²	39.1	7%	0.073	20%	0.195	C	C	.	.	H	α-helix	trans	-72.4	-38.8	177.6	-171.3	64.6	0	0	0	111.2	V251 L342 L343 P358 R363 K364 Y365	V251-L361 HydrophobicContact CG1-CB 4.36Å; V251-L361 HydrophobicContact CG1-CD1 4.43Å; V251-L361 HydrophobicContact CG1-CD2 4.08Å; V251-L361 HydrophobicContact CG2-CD2 4.37Å; L342-L361 HydrophobicContact CB-CD2 4.43Å; L342-L361 HydrophobicContact CD2-CD2 3.84Å; L342-L361 HydrophobicContact CG-CD2 3.9Å; L343-L361 HydrophobicContact CD1-CG 4.37Å; L343-L361 HydrophobicContact CD2-CB 4.2Å; L343-L361 HydrophobicContact CD2-CD2 3.74Å; L343-L361 HydrophobicContact CD2-CG 3.8Å; L343-L361 HydrophobicContact CG-CD2 3.73Å; L343-L361 HydrophobicContact CG-CG 3.88Å; P358-L361 HydrophobicContact CB-CB 4.22Å; P358-L361 PolarHBondContact O-N 2.96Å; L361-R363 VanDerWaalsContact C-N 3.35Å; L361-R363 PolarHBondContact O-N 2.96Å; L361-K364 HydrophobicContact CD1-CD 4.37Å; L361-K364 WeakPolarHBondContact O-CB 3.23Å; L361-K364 PolarHBondContact O-N 3.45Å; L361-Y365 WeakPolarHBondContact O-CB 2.88Å; L361-Y365 PolarHBondContact O-N 3.42Å
362	I	91.1	Very high	88.3	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.9	-46.7	173.6	-61.7	165	0	0	0	109.9	L343 W347 P358 I359 Y365 F366 F374	L343-I362 HydrophobicContact CD2-CG1 3.86Å; W347-I362 HydrophobicContact CD2-CD1 3.87Å; W347-I362 HydrophobicContact CD2-CG1 4.2Å; W347-I362 VanDerWaalsContact CE2-CD1 3.42Å; W347-I362 HydrophobicContact CE3-CD1 4.34Å; W347-I362 HydrophobicContact CE3-CG1 4.18Å; W347-I362 HydrophobicContact CG-CD1 4.43Å; W347-I362 HydrophobicContact CH2-CD1 4Å; W347-I362 HydrophobicContact CH2-CG1 4.05Å; W347-I362 HydrophobicContact CH2-CG2 4.36Å; W347-I362 HydrophobicContact CZ2-CD1 3.49Å; W347-I362 VanDerWaalsContact CZ2-CD1 3.49Å; W347-I362 HydrophobicContact CZ2-CG1 4.06Å; W347-I362 HydrophobicContact CZ3-CD1 4.4Å; W347-I362 HydrophobicContact CZ3-CG1 4.12Å; P358-I362 HydrophobicContact CG-CD1 4.41Å; P358-I362 HydrophobicContact CG-CG1 4.49Å; P358-I362 WeakPolarHBondContact O-CG1 3.48Å; P358-I362 PolarHBondContact O-N 3.16Å; I359-I362 PolarHBondContact O-N 3.27Å; I362-Y365 PolarHBondContact O-N 3.44Å; I362-F366 HydrophobicContact CG2-CD2 4.25Å; I362-F366 WeakPolarHBondContact O-CB 3.31Å; I362-F366 PolarHBondContact O-N 3.48Å; I362-F374 HydrophobicContact CD1-CB 4.47Å; I362-F374 HydrophobicContact CG2-CD2 4.06Å
363	R	90.1	Very high	88.7	Confident	61 Å²	61	34.4 Å²	34.4	23%	0.23	16%	0.162	C	C	.	.	H	α-helix	trans	-60.2	-45.3	173.2	174.5	-172.7	174.2	-142.9	3.5	112.4	I359 G360 L361 Y365 G367 E368 W480	I359-R363 WeakPolarHBondContact O-CB 3.43Å; I359-R363 PolarHBondContact O-N 2.97Å; G360-R363 PolarHBondContact O-N 2.88Å; L361-R363 VanDerWaalsContact C-N 3.35Å; L361-R363 PolarHBondContact O-N 2.96Å; R363-Y365 VanDerWaalsContact C-N 3.28Å; R363-Y365 PolarHBondContact O-N 3.27Å; R363-G367 WeakPolarHBondContact O-CA 3.27Å; R363-G367 PolarHBondContact O-N 3.37Å; R363-E368 HydrophobicContact CG-CG 4.41Å; R363-E368 IonicContact CZ-OE1 2.6Å; R363-E368 IonicContact NE-OE1 3.59Å; R363-E368 PolarHBondContact NE-OE1 3.49Å; R363-E368 IonicContact NH2-OE1 2.59Å; R363-E368 PolarHBondContact NH2-OE1 3.49Å; R363-E368 VanDerWaalsContact NH2-OE1 3.08Å; R363-W480 PolarHBondContact NH2-O 3Å
364	K	87.8	Confident	89.2	Confident	74 Å²	74	28.7 Å²	28.7	32%	0.322	14%	0.137	S	C	.	.	H	α-helix	trans	-57.9	-43.7	179.8	-169.6	-161.2	174.2	-154.8	0	110.9	D284 K286 D339 G360 L361	D284-K364 WeakPolarHBondContact OD1-CE 3.36Å; D284-K364 IonicContact OD1-NZ 3.79Å; D284-K364 WeakPolarHBondContact OD2-CG 3.25Å; K286-K364 WeakPolarHBondContact CB-O 3.36Å; D339-K364 IonicContact OD1-NZ 2.8Å; D339-K364 PolarHBondContact OD1-NZ 2.77Å; D339-K364 WeakPolarHBondContact OD2-CE 3.28Å; D339-K364 IonicContact OD2-NZ 3.59Å; D339-K364 PolarHBondContact OD2-NZ 2.82Å; G360-K364 PolarHBondContact O-N 2.91Å; L361-K364 HydrophobicContact CD1-CD 4.37Å; L361-K364 WeakPolarHBondContact O-CB 3.23Å; L361-K364 PolarHBondContact O-N 3.45Å
365	Y	90.3	Very high	89.8	Confident	2 Å²	2	22.9 Å²	22.9	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-86	-44.7	-172.1	-167.1	-100.7	0	0	0	114.8	H326 D327 D339 R340 L343 L361 I362 R363 R790	H326-Y365 AromaticContact ND1-CE1 3.86Å; H326-Y365 AromaticContact ND1-CZ 3.81Å; H326-Y365 PolarHBondContact ND1-OH 3.05Å; D327-Y365 HydrophobicContact CB-CE2 4.42Å; D327-Y365 WeakPolarHBondContact OD2-CE2 3.17Å; D339-Y365 HydrophobicContact CB-CD2 3.84Å; D339-Y365 HydrophobicContact CB-CE2 4.25Å; R340-Y365 HydrophobicContact CB-CE2 4.16Å; L343-Y365 HydrophobicContact CD1-CD1 3.78Å; L343-Y365 HydrophobicContact CD1-CD2 4.37Å; L343-Y365 HydrophobicContact CD1-CG 3.66Å; L361-Y365 WeakPolarHBondContact O-CB 2.88Å; L361-Y365 PolarHBondContact O-N 3.42Å; I362-Y365 PolarHBondContact O-N 3.44Å; R363-Y365 VanDerWaalsContact C-N 3.28Å; R363-Y365 PolarHBondContact O-N 3.27Å; Y365-R790 PolarHBondContact O-NE 3.48Å; Y365-R790 PolarHBondContact O-NH2 3.29Å
366	F	91.6	Very high	90.3	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.009	11%	0.109	C	C	.	.	H	α-helix	trans	-107.2	-15.5	-174.5	-65.6	-66.7	0	0	0	114.5	L343 W347 I362 V370 F784 V785 P791	L343-F366 HydrophobicContact CD1-CE2 4.25Å; W347-F366 HydrophobicContact CZ3-CE2 4.15Å; I362-F366 HydrophobicContact CG2-CD2 4.25Å; I362-F366 WeakPolarHBondContact O-CB 3.31Å; I362-F366 PolarHBondContact O-N 3.48Å; F366-V370 HydrophobicContact CB-CB 3.88Å; F366-V370 HydrophobicContact CB-CG1 3.92Å; F366-V370 HydrophobicContact CB-CG2 4.23Å; F366-V370 HydrophobicContact CG-CG1 4.32Å; F366-F784 HydrophobicContact CE1-CB 4.46Å; F366-F784 WeakPolarHBondContact CE1-O 3.45Å; F366-F784 HydrophobicContact CE2-CB 4.5Å; F366-F784 HydrophobicContact CZ-CB 4.07Å; F366-F784 WeakPolarHBondContact CZ-O 3.07Å; F366-V785 HydrophobicContact CE2-CG2 4.2Å; F366-V785 HydrophobicContact CZ-CG2 4.02Å; F366-P791 HydrophobicContact CD1-CG 3.83Å
367	G	90.2	Very high	90.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.			trans	88.6	178.4	-178.5	0	0	0	0	0	115.8	R363 G371	R363-G367 WeakPolarHBondContact O-CA 3.27Å; R363-G367 PolarHBondContact O-N 3.37Å; G367-G371 PolarHBondContact O-N 2.94Å
368	E	89.3	Confident	91.1	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.019	9%	0.092	C	C	.	.	H	α-helix	trans	-67.9	-44.2	-167.3	-71.5	69.5	-164.1	0	0	113	K286 R363 V370 G371 L372 W480 L482	K286-E368 VanDerWaalsContact CE-OE2 3.3Å; K286-E368 WeakPolarHBondContact CE-OE2 3.43Å; K286-E368 IonicContact NZ-OE1 3.24Å; K286-E368 PolarHBondContact NZ-OE1 2.95Å; K286-E368 IonicContact NZ-OE2 2.68Å; K286-E368 PolarHBondContact NZ-OE2 3.3Å; R363-E368 HydrophobicContact CG-CG 4.41Å; R363-E368 IonicContact CZ-OE1 2.6Å; R363-E368 IonicContact NE-OE1 3.59Å; R363-E368 PolarHBondContact NE-OE1 3.49Å; R363-E368 IonicContact NH2-OE1 2.59Å; R363-E368 PolarHBondContact NH2-OE1 3.49Å; R363-E368 VanDerWaalsContact NH2-OE1 3.08Å; E368-V370 PolarHBondContact O-N 3.5Å; E368-G371 PolarHBondContact O-N 3.07Å; E368-L372 VanDerWaalsContact O-CB 3.3Å; E368-L372 WeakPolarHBondContact O-CB 3.34Å; E368-L372 PolarHBondContact O-N 3.31Å; E368-W480 HydrophobicContact CB-CE3 4.4Å; E368-W480 HydrophobicContact CG-CE3 4.04Å; E368-L482 HydrophobicContact CG-CD1 4.08Å; E368-L482 HydrophobicContact CG-CD2 4.4Å
369	K	89.8	Confident	91.3	Very high	56 Å²	56	15.7 Å²	15.7	24%	0.243	9%	0.09	C	C	.	.	H	α-helix	trans	-56.3	-37	179.3	-165.5	168.9	-176.5	174.3	0	112.7	E620 I741 A794 V796	K369-E620 IonicContact NZ-OE1 3.57Å; K369-E620 PolarHBondContact NZ-OE1 3.29Å; K369-E620 IonicContact NZ-OE2 2.69Å; K369-E620 PolarHBondContact NZ-OE2 3.12Å; K369-I741 HydrophobicContact CG-CG2 4.35Å; K369-A794 HydrophobicContact CB-CB 4.21Å; K369-A794 HydrophobicContact CD-CB 4.27Å; K369-A794 PolarHBondContact N-O 2.97Å; K369-V796 HydrophobicContact CB-CG2 3.75Å; K369-V796 HydrophobicContact CD-CG2 4.04Å; K369-V796 HydrophobicContact CG-CG2 3.86Å
370	V	92.3	Very high	91.6	Very high	5 Å²	5	14.4 Å²	14.4	3%	0.03	8%	0.083	C	C	.	.	H	α-helix	trans	-82.9	-43.3	177.9	-178.4	0	0	0	0	111.4	F366 E368 L372 Y373 F374 I741 F784 P791	F366-V370 HydrophobicContact CB-CB 3.88Å; F366-V370 HydrophobicContact CB-CG1 3.92Å; F366-V370 HydrophobicContact CB-CG2 4.23Å; F366-V370 HydrophobicContact CG-CG1 4.32Å; E368-V370 PolarHBondContact O-N 3.5Å; V370-L372 VanDerWaalsContact C-N 3.25Å; V370-L372 PolarHBondContact O-N 3.45Å; V370-Y373 PolarHBondContact O-N 3.39Å; V370-F374 HydrophobicContact CG1-CD2 3.92Å; V370-F374 HydrophobicContact CG1-CE2 3.72Å; V370-F374 WeakPolarHBondContact O-CD2 3.25Å; V370-F374 PolarHBondContact O-N 2.83Å; V370-I741 HydrophobicContact CG2-CD1 4.4Å; V370-F784 HydrophobicContact CG1-CD1 4.24Å; V370-F784 HydrophobicContact CG1-CE1 4.05Å; V370-F784 HydrophobicContact CG1-CZ 4.41Å; V370-F784 HydrophobicContact CG2-CE1 4.13Å; V370-P791 HydrophobicContact CG2-CG 4.09Å
371	G	92.6	Very high	92	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.2	-33.3	176.3	0	0	0	0	0	113.5	G367 E368 A375	G367-G371 PolarHBondContact O-N 2.94Å; E368-G371 PolarHBondContact O-N 3.07Å; G371-A375 VanDerWaalsContact O-CB 3.31Å; G371-A375 WeakPolarHBondContact O-CB 3.34Å; G371-A375 PolarHBondContact O-N 2.75Å; G371-A375 VanDerWaalsContact O-N 3.09Å
372	L	92.9	Very high	92.2	Very high	3 Å²	3	16.9 Å²	16.9	2%	0.016	8%	0.081	C	C	.	.	H	α-helix	trans	-71	-37.3	177.7	-165.7	67.1	0	0	0	112.4	E368 V370 A375 W376 W469 Q473 L476 W480 D798 I799	E368-L372 VanDerWaalsContact O-CB 3.3Å; E368-L372 WeakPolarHBondContact O-CB 3.34Å; E368-L372 PolarHBondContact O-N 3.31Å; V370-L372 VanDerWaalsContact C-N 3.25Å; V370-L372 PolarHBondContact O-N 3.45Å; L372-A375 PolarHBondContact O-N 3.37Å; L372-W376 WeakPolarHBondContact O-CB 3.41Å; L372-W376 PolarHBondContact O-N 3.33Å; L372-W469 HydrophobicContact CD1-CH2 3.73Å; L372-W469 HydrophobicContact CD1-CZ2 3.79Å; L372-W469 HydrophobicContact CG-CH2 4.28Å; L372-W469 HydrophobicContact CG-CZ2 4.14Å; L372-Q473 HydrophobicContact CD1-CG 4.4Å; L372-L476 HydrophobicContact CD1-CD1 4.4Å; L372-W480 HydrophobicContact CB-CH2 4.3Å; L372-W480 HydrophobicContact CB-CZ3 4.08Å; L372-W480 HydrophobicContact CD1-CH2 4.22Å; L372-W480 HydrophobicContact CD1-CZ3 3.91Å; L372-D798 VanDerWaalsContact CD2-C 3.48Å; L372-I799 HydrophobicContact CD2-CG2 3.95Å; L372-I799 HydrophobicContact CG-CG2 4.16Å
373	Y	94.2	Very high	92.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.3	-52.6	174.6	168.3	-106.5	0	0	0	111.7	V370 A375 W376 L377 I741 E744 Y745 D780	V370-Y373 PolarHBondContact O-N 3.39Å; Y373-A375 VanDerWaalsContact C-N 3.25Å; Y373-A375 PolarHBondContact O-N 3.31Å; Y373-W376 PolarHBondContact O-N 3.37Å; Y373-W376 VanDerWaalsContact O-N 3.1Å; Y373-L377 HydrophobicContact CE1-CD2 4.21Å; Y373-L377 WeakPolarHBondContact O-CB 3.43Å; Y373-L377 PolarHBondContact O-N 2.94Å; Y373-I741 VanDerWaalsContact CB-CD1 3.44Å; Y373-I741 HydrophobicContact CD1-CD1 3.77Å; Y373-I741 HydrophobicContact CD1-CG1 4.26Å; Y373-I741 HydrophobicContact CD2-CD1 4.41Å; Y373-I741 HydrophobicContact CD2-CG1 4.33Å; Y373-I741 HydrophobicContact CG-CD1 3.62Å; Y373-I741 HydrophobicContact CG-CG1 4.01Å; Y373-E744 HydrophobicContact CE2-CB 4.08Å; Y373-Y745 VanDerWaalsContact CA-OH 3.3Å; Y373-Y745 WeakPolarHBondContact CA-OH 3.44Å; Y373-Y745 AromaticContact CD2-CD1 3.97Å; Y373-Y745 HydrophobicContact CD2-CD1 3.97Å; Y373-Y745 HydrophobicContact CD2-CD2 4.01Å; Y373-Y745 AromaticContact CD2-CE1 3.81Å; Y373-Y745 HydrophobicContact CD2-CE1 3.81Å; Y373-Y745 AromaticContact CD2-CE2 3.83Å; Y373-Y745 HydrophobicContact CD2-CE2 3.83Å; Y373-Y745 HydrophobicContact CD2-CG 4.07Å; Y373-Y745 AromaticContact CD2-CZ 3.74Å; Y373-Y745 HydrophobicContact CE2-CD1 4.41Å; Y373-Y745 HydrophobicContact CE2-CG 4.42Å; Y373-Y745 HydrophobicContact CG-CE2 4.34Å; Y373-Y745 PolarHBondContact N-OH 3.37Å; Y373-D780 VanDerWaalsContact CE1-OD2 3.23Å; Y373-D780 WeakPolarHBondContact CE1-OD2 3.34Å; Y373-D780 VanDerWaalsContact CZ-OD2 3.3Å; Y373-D780 PolarHBondContact OH-OD2 3.27Å
374	F	94	Very high	92.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-65.4	-29.7	178.8	-73.4	-67.7	0	0	0	112.9	W347 Q357 I362 V370 G378 D780 F784	W347-F374 AromaticContact CH2-CD2 3.99Å; W347-F374 HydrophobicContact CH2-CD2 3.99Å; W347-F374 HydrophobicContact CH2-CE1 4.22Å; W347-F374 AromaticContact CH2-CE2 3.64Å; W347-F374 HydrophobicContact CH2-CE2 3.64Å; W347-F374 HydrophobicContact CH2-CG 4.42Å; W347-F374 AromaticContact CH2-CZ 3.75Å; W347-F374 HydrophobicContact CH2-CZ 3.75Å; W347-F374 AromaticContact CZ2-CD1 3.68Å; W347-F374 HydrophobicContact CZ2-CD1 3.68Å; W347-F374 AromaticContact CZ2-CD2 3.78Å; W347-F374 HydrophobicContact CZ2-CD2 3.78Å; W347-F374 AromaticContact CZ2-CE1 3.63Å; W347-F374 HydrophobicContact CZ2-CE1 3.63Å; W347-F374 AromaticContact CZ2-CE2 3.74Å; W347-F374 HydrophobicContact CZ2-CE2 3.74Å; W347-F374 AromaticContact CZ2-CG 3.75Å; W347-F374 HydrophobicContact CZ2-CG 3.75Å; W347-F374 AromaticContact CZ2-CZ 3.66Å; W347-F374 HydrophobicContact CZ2-CZ 3.66Å; Q357-F374 PolarHBondContact NE2-O 3.05Å; I362-F374 HydrophobicContact CD1-CB 4.47Å; I362-F374 HydrophobicContact CG2-CD2 4.06Å; V370-F374 HydrophobicContact CG1-CD2 3.92Å; V370-F374 HydrophobicContact CG1-CE2 3.72Å; V370-F374 WeakPolarHBondContact O-CD2 3.25Å; V370-F374 PolarHBondContact O-N 2.83Å; F374-G378 PolarHBondContact O-N 3.14Å; F374-D780 HydrophobicContact CE1-CB 3.76Å; F374-D780 HydrophobicContact CZ-CB 3.85Å; F374-F784 HydrophobicContact CE2-CD2 4.1Å; F374-F784 HydrophobicContact CE2-CE2 4.33Å; F374-F784 AromaticContact CZ-CD2 3.86Å; F374-F784 HydrophobicContact CZ-CD2 3.86Å; F374-F784 HydrophobicContact CZ-CE2 4.21Å
375	A	93.8	Very high	92.9	Very high	3 Å²	3	15.7 Å²	15.7	3%	0.025	8%	0.082	C	C	.	.	H	α-helix	trans	-68	-42.9	170.4	0	0	0	0	0	112.7	I359 G371 L372 Y373 G378 V379 W469 L476	I359-A375 HydrophobicContact CD1-CB 3.97Å; I359-A375 HydrophobicContact CG2-CB 4.32Å; G371-A375 VanDerWaalsContact O-CB 3.31Å; G371-A375 WeakPolarHBondContact O-CB 3.34Å; G371-A375 PolarHBondContact O-N 2.75Å; G371-A375 VanDerWaalsContact O-N 3.09Å; L372-A375 PolarHBondContact O-N 3.37Å; Y373-A375 VanDerWaalsContact C-N 3.25Å; Y373-A375 PolarHBondContact O-N 3.31Å; A375-G378 PolarHBondContact O-N 2.84Å; A375-V379 WeakPolarHBondContact O-CG2 3.34Å; A375-V379 PolarHBondContact O-N 2.98Å; A375-W469 HydrophobicContact CB-CH2 4.31Å; A375-W469 HydrophobicContact CB-CZ3 4.4Å; A375-L476 HydrophobicContact CB-CD1 3.6Å
376	W	95.5	Very high	93.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64	-49.4	175.7	176	85.6	0	0	0	111.4	L372 Y373 G378 V379 Y380 F465 W469 Y745 M748 I749 L806	L372-W376 WeakPolarHBondContact O-CB 3.41Å; L372-W376 PolarHBondContact O-N 3.33Å; Y373-W376 PolarHBondContact O-N 3.37Å; Y373-W376 VanDerWaalsContact O-N 3.1Å; W376-G378 VanDerWaalsContact C-N 3.29Å; W376-G378 PolarHBondContact O-N 3.31Å; W376-V379 PolarHBondContact O-N 2.7Å; W376-V379 VanDerWaalsContact O-N 3.12Å; W376-Y380 AromaticContact CH2-CD1 3.95Å; W376-Y380 HydrophobicContact CH2-CD1 3.95Å; W376-Y380 HydrophobicContact CH2-CE1 4.44Å; W376-Y380 HydrophobicContact CH2-CG 4.45Å; W376-Y380 HydrophobicContact CZ3-CD1 4.24Å; W376-Y380 WeakPolarHBondContact O-CB 3.34Å; W376-Y380 PolarHBondContact O-N 3.49Å; W376-F465 HydrophobicContact CZ2-CZ 4.14Å; W376-F465 AromaticContact NE1-CZ 3.79Å; W376-W469 HydrophobicContact CB-CE3 4.29Å; W376-W469 HydrophobicContact CB-CH2 3.68Å; W376-W469 HydrophobicContact CB-CZ2 3.94Å; W376-W469 HydrophobicContact CB-CZ3 3.88Å; W376-W469 AromaticContact CD1-CD2 3.66Å; W376-W469 AromaticContact CD1-CE2 3.7Å; W376-W469 AromaticContact CD1-CG 4Å; W376-W469 AromaticContact CD1-NE1 3.99Å; W376-W469 HydrophobicContact CG-CD2 4.48Å; W376-W469 HydrophobicContact CG-CZ2 4.47Å; W376-Y745 HydrophobicContact CD2-CE1 4.18Å; W376-Y745 HydrophobicContact CE3-CD1 4.22Å; W376-Y745 HydrophobicContact CE3-CE1 4.06Å; W376-Y745 HydrophobicContact CG-CE1 4.41Å; W376-Y745 HydrophobicContact CZ3-CD1 4.44Å; W376-M748 HydrophobicContact CH2-CB 3.64Å; W376-M748 HydrophobicContact CZ3-CB 3.51Å; W376-M748 HydrophobicContact CZ3-CG 4.01Å; W376-I749 HydrophobicContact CH2-CG1 4.19Å; W376-I749 HydrophobicContact CZ2-CG1 4.36Å; W376-L806 HydrophobicContact CZ2-CD1 3.86Å
377	L	93	Very high	93.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.5	-37.9	177.3	-178	56.4	0	0	0	111.5	Y373 Y380 T381 M748 I777	Y373-L377 HydrophobicContact CE1-CD2 4.21Å; Y373-L377 WeakPolarHBondContact O-CB 3.43Å; Y373-L377 PolarHBondContact O-N 2.94Å; L377-Y380 HydrophobicContact CD1-CD1 4.2Å; L377-T381 WeakPolarHBondContact O-CB 3.4Å; L377-T381 PolarHBondContact O-N 3.41Å; L377-T381 PolarHBondContact O-OG1 3.21Å; L377-M748 HydrophobicContact CD1-CG 4.14Å; L377-M748 HydrophobicContact CD1-SD 3.49Å; L377-M748 WeakPolarHBondContact CD1-SD 3.31Å; L377-I777 HydrophobicContact CD2-CG1 3.55Å; L377-I777 HydrophobicContact CG-CD1 4.17Å; L377-I777 HydrophobicContact CG-CG1 3.64Å
378	G	92.8	Very high	93.7	Very high	19 Å²	19	18.3 Å²	18.3	20%	0.196	10%	0.1	C	C	.	.	H	α-helix	trans	-62	-44.3	172.4	0	0	0	0	0	113.2	F374 A375 W376 T381 Q382	F374-G378 PolarHBondContact O-N 3.14Å; A375-G378 PolarHBondContact O-N 2.84Å; W376-G378 VanDerWaalsContact C-N 3.29Å; W376-G378 PolarHBondContact O-N 3.31Å; G378-T381 PolarHBondContact O-N 3.43Å; G378-Q382 WeakPolarHBondContact O-CB 3.41Å; G378-Q382 PolarHBondContact O-N 2.87Å
379	V	93.6	Very high	94	Very high	6 Å²	6	22.7 Å²	22.7	4%	0.036	12%	0.122	C	C	.	.	H	α-helix	trans	-66.7	-44.1	176.7	168.1	0	0	0	0	111.9	A375 W376 T381 Q382 M383 F465 W469 R472	A375-V379 WeakPolarHBondContact O-CG2 3.34Å; A375-V379 PolarHBondContact O-N 2.98Å; W376-V379 PolarHBondContact O-N 2.7Å; W376-V379 VanDerWaalsContact O-N 3.12Å; V379-T381 VanDerWaalsContact C-N 3.33Å; V379-T381 PolarHBondContact O-N 3.13Å; V379-Q382 PolarHBondContact O-N 3.49Å; V379-M383 HydrophobicContact CG1-CG 4.47Å; V379-M383 WeakPolarHBondContact O-CB 3.38Å; V379-M383 WeakPolarHBondContact O-CG 3.34Å; V379-M383 PolarHBondContact O-N 3.28Å; V379-F465 HydrophobicContact CG1-CD2 4.32Å; V379-F465 HydrophobicContact CG1-CE2 4.19Å; V379-W469 HydrophobicContact CB-CE3 4.03Å; V379-W469 HydrophobicContact CB-CZ3 4.42Å; V379-W469 HydrophobicContact CG1-CE3 4.19Å; V379-W469 HydrophobicContact CG2-CE3 3.99Å; V379-W469 HydrophobicContact CG2-CZ3 4.09Å; V379-R472 HydrophobicContact CG2-CB 4.4Å; V379-R472 HydrophobicContact CG2-CG 3.86Å
380	Y	95.3	Very high	94.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.2	-46.8	175.8	174.3	-142.3	0	0	0	110.9	W376 L377 Q382 M383 L384 W461 F465 F752 N773	W376-Y380 AromaticContact CH2-CD1 3.95Å; W376-Y380 HydrophobicContact CH2-CD1 3.95Å; W376-Y380 HydrophobicContact CH2-CE1 4.44Å; W376-Y380 HydrophobicContact CH2-CG 4.45Å; W376-Y380 HydrophobicContact CZ3-CD1 4.24Å; W376-Y380 WeakPolarHBondContact O-CB 3.34Å; W376-Y380 PolarHBondContact O-N 3.49Å; L377-Y380 HydrophobicContact CD1-CD1 4.2Å; Y380-Q382 PolarHBondContact O-N 3.25Å; Y380-M383 PolarHBondContact O-N 3.5Å; Y380-L384 HydrophobicContact CD2-CD1 4.09Å; Y380-L384 HydrophobicContact CD2-CG 4.09Å; Y380-L384 HydrophobicContact CE1-CD1 4.31Å; Y380-L384 HydrophobicContact CE2-CD1 3.7Å; Y380-L384 HydrophobicContact CE2-CD2 4.06Å; Y380-L384 HydrophobicContact CE2-CG 3.84Å; Y380-L384 WeakPolarHBondContact O-CG 3.46Å; Y380-L384 PolarHBondContact O-N 3.15Å; Y380-W461 HydrophobicContact CE2-CH2 4.27Å; Y380-F465 HydrophobicContact CD2-CE2 4.21Å; Y380-F465 HydrophobicContact CD2-CZ 4.09Å; Y380-F465 HydrophobicContact CG-CE2 4.37Å; Y380-F465 HydrophobicContact CG-CZ 4.27Å; Y380-F752 HydrophobicContact CD2-CD2 4.47Å; Y380-F752 AromaticContact CE2-CD2 3.86Å; Y380-F752 HydrophobicContact CE2-CD2 3.86Å; Y380-F752 WeakPolarHBondContact OH-CA 3.48Å; Y380-F752 PolarHBondContact OH-N 2.97Å; Y380-N773 WeakPolarHBondContact CD1-ND2 3.47Å; Y380-N773 VanDerWaalsContact CE1-ND2 3.35Å; Y380-N773 WeakPolarHBondContact CE1-ND2 3.13Å
381	T	93.5	Very high	94.4	Very high	13 Å²	13	21.4 Å²	21.4	8%	0.08	12%	0.119	C	C	.	.	H	α-helix	trans	-63.3	-42.3	176.3	-51.1	0	0	0	0	112.3	L377 G378 V379 M383 L384 L770 N773 I774 I777	L377-T381 WeakPolarHBondContact O-CB 3.4Å; L377-T381 PolarHBondContact O-N 3.41Å; L377-T381 PolarHBondContact O-OG1 3.21Å; G378-T381 PolarHBondContact O-N 3.43Å; V379-T381 VanDerWaalsContact C-N 3.33Å; V379-T381 PolarHBondContact O-N 3.13Å; T381-M383 PolarHBondContact O-N 2.86Å; T381-L384 PolarHBondContact O-N 3.43Å; T381-L770 HydrophobicContact CG2-CD1 3.84Å; T381-L770 WeakPolarHBondContact O-CD1 3.16Å; T381-N773 HydrophobicContact CG2-CB 3.86Å; T381-N773 VanDerWaalsContact OG1-CB 3.28Å; T381-N773 WeakPolarHBondContact OG1-CB 3.37Å; T381-N773 PolarHBondContact OG1-ND2 2.77Å; T381-I774 HydrophobicContact CG2-CG1 4.18Å; T381-I777 HydrophobicContact CG2-CD1 4.26Å
382	Q	93.1	Very high	94.5	Very high	106 Å²	106	23.6 Å²	23.6	50%	0.495	13%	0.132	S	C	.	.	H	α-helix	trans	-62.7	-41.7	175.4	-178.5	177.5	-12.1	0	0	112	G378 V379 Y380 I385 P386	G378-Q382 WeakPolarHBondContact O-CB 3.41Å; G378-Q382 PolarHBondContact O-N 2.87Å; V379-Q382 PolarHBondContact O-N 3.49Å; Y380-Q382 PolarHBondContact O-N 3.25Å; Q382-I385 WeakPolarHBondContact O-CB 3.43Å; Q382-I385 PolarHBondContact O-N 2.86Å; Q382-P386 WeakPolarHBondContact O-CD 3.42Å
383	M	94.5	Very high	94.6	Very high	31 Å²	31	28.2 Å²	28.2	15%	0.153	16%	0.156	C	C	.	.	H	α-helix	trans	-72.4	-27.5	178.1	-71.7	-62.4	-70.4	0	0	112.7	V379 Y380 T381 I385 P386 W461 L464 F465	V379-M383 HydrophobicContact CG1-CG 4.47Å; V379-M383 WeakPolarHBondContact O-CB 3.38Å; V379-M383 WeakPolarHBondContact O-CG 3.34Å; V379-M383 PolarHBondContact O-N 3.28Å; Y380-M383 PolarHBondContact O-N 3.5Å; T381-M383 PolarHBondContact O-N 2.86Å; M383-I385 PolarHBondContact O-N 3.37Å; M383-P386 VanDerWaalsContact O-CD 3.24Å; M383-P386 WeakPolarHBondContact O-CD 3.24Å; M383-P386 VanDerWaalsContact O-CG 3.31Å; M383-P386 WeakPolarHBondContact O-CG 3.44Å; M383-W461 HydrophobicContact CB-CZ2 4.1Å; M383-W461 PolarHBondContact O-NE1 3.48Å; M383-L464 HydrophobicContact CE-CB 4.19Å; M383-F465 HydrophobicContact CB-CB 4.41Å; M383-F465 HydrophobicContact CB-CD2 4.09Å; M383-F465 HydrophobicContact CE-CB 4.34Å; M383-F465 HydrophobicContact CG-CB 4.42Å; M383-F465 HydrophobicContact CG-CD2 4.07Å
384	L	95.2	Very high	94.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-22.3	172.7	-77.9	171.3	0	0	0	113.3	Y380 T381 A387 A388 W461 V755 P766 A769 L770	Y380-L384 HydrophobicContact CD2-CD1 4.09Å; Y380-L384 HydrophobicContact CD2-CG 4.09Å; Y380-L384 HydrophobicContact CE1-CD1 4.31Å; Y380-L384 HydrophobicContact CE2-CD1 3.7Å; Y380-L384 HydrophobicContact CE2-CD2 4.06Å; Y380-L384 HydrophobicContact CE2-CG 3.84Å; Y380-L384 WeakPolarHBondContact O-CG 3.46Å; Y380-L384 PolarHBondContact O-N 3.15Å; T381-L384 PolarHBondContact O-N 3.43Å; L384-A387 PolarHBondContact O-N 2.9Å; L384-A388 WeakPolarHBondContact O-CB 3.2Å; L384-A388 PolarHBondContact O-N 3.18Å; L384-W461 HydrophobicContact CD2-CH2 3.95Å; L384-W461 HydrophobicContact CD2-CZ2 3.93Å; L384-W461 HydrophobicContact CG-CZ2 4.26Å; L384-V755 HydrophobicContact CD2-CG1 4.19Å; L384-P766 HydrophobicContact CD2-CB 4.02Å; L384-A769 HydrophobicContact CD1-CB 3.98Å; L384-A769 HydrophobicContact CD2-CB 4.3Å; L384-L770 HydrophobicContact CB-CB 4.2Å; L384-L770 HydrophobicContact CB-CD1 4.11Å
385	I	94.6	Very high	94.5	Very high	79 Å²	79	30.7 Å²	30.7	41%	0.405	17%	0.167	S	C	.	.	H	α-helix	trans	-58.6	-58.8	179.3	-61.4	170.1	0	0	0	112.4	Q382 M383 A387 A388 I389 L770	Q382-I385 WeakPolarHBondContact O-CB 3.43Å; Q382-I385 PolarHBondContact O-N 2.86Å; M383-I385 PolarHBondContact O-N 3.37Å; I385-A387 VanDerWaalsContact C-N 3.27Å; I385-A387 PolarHBondContact O-N 2.81Å; I385-A388 PolarHBondContact O-N 3.24Å; I385-I389 HydrophobicContact CG2-CD1 3.88Å; I385-I389 WeakPolarHBondContact O-CG1 3.44Å; I385-I389 PolarHBondContact O-N 3.09Å; I385-L770 HydrophobicContact CG1-CD1 3.77Å; I385-L770 HydrophobicContact CG1-CD2 4.1Å
386	P	95.6	Very high	94.4	Very high	56 Å²	56	35.4 Å²	35.4	36%	0.364	19%	0.191	S	C	.	.	H	α-helix	trans	-62.1	-32.9	176.8	23.3	-34.2	0	0	0	113	Q382 M383 I389 V390	Q382-P386 WeakPolarHBondContact O-CD 3.42Å; M383-P386 VanDerWaalsContact O-CD 3.24Å; M383-P386 WeakPolarHBondContact O-CD 3.24Å; M383-P386 VanDerWaalsContact O-CG 3.31Å; M383-P386 WeakPolarHBondContact O-CG 3.44Å; P386-I389 PolarHBondContact O-N 2.84Å; P386-V390 WeakPolarHBondContact O-CG2 3.46Å; P386-V390 PolarHBondContact O-N 3.12Å
387	A	95.8	Very high	94.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-41.5	175.6	0	0	0	0	0	112.5	L384 I385 G391 M458 W461 P766	L384-A387 PolarHBondContact O-N 2.9Å; I385-A387 VanDerWaalsContact C-N 3.27Å; I385-A387 PolarHBondContact O-N 2.81Å; A387-G391 PolarHBondContact O-N 3.07Å; A387-M458 HydrophobicContact CB-CE 4.29Å; A387-M458 HydrophobicContact CB-SD 3.76Å; A387-W461 HydrophobicContact CB-CD2 4.34Å; A387-W461 HydrophobicContact CB-CG 4.44Å; A387-W461 HydrophobicContact CB-CZ2 4.42Å; A387-P766 HydrophobicContact CB-CB 3.78Å; A387-P766 HydrophobicContact CB-CG 4.1Å
388	A	96.1	Very high	94.2	Very high	4 Å²	4	41 Å²	41	3%	0.033	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-40.5	174.7	0	0	0	0	0	111.8	L384 I385 G391 V392 P766 L767 L770	L384-A388 WeakPolarHBondContact O-CB 3.2Å; L384-A388 PolarHBondContact O-N 3.18Å; I385-A388 PolarHBondContact O-N 3.24Å; A388-G391 PolarHBondContact O-N 2.81Å; A388-V392 WeakPolarHBondContact O-CB 3.45Å; A388-V392 VanDerWaalsContact O-CG2 3.28Å; A388-V392 WeakPolarHBondContact O-CG2 3.44Å; A388-V392 PolarHBondContact O-N 3.34Å; A388-P766 HydrophobicContact CB-CB 4.42Å; A388-L767 HydrophobicContact CB-CB 4.11Å; A388-L767 HydrophobicContact CB-CD1 4.27Å; A388-L770 HydrophobicContact CB-CD2 3.96Å
389	I	96.2	Very high	94.2	Very high	96 Å²	96	42.6 Å²	42.6	49%	0.492	22%	0.221	S	C	.	.	H	α-helix	trans	-61.3	-51.1	176.8	-68.7	165.8	0	0	0	110.7	I385 P386 G391 V392 I393	I385-I389 HydrophobicContact CG2-CD1 3.88Å; I385-I389 WeakPolarHBondContact O-CG1 3.44Å; I385-I389 PolarHBondContact O-N 3.09Å; P386-I389 PolarHBondContact O-N 2.84Å; I389-G391 PolarHBondContact O-N 2.93Å; I389-V392 PolarHBondContact O-N 2.78Å; I389-I393 HydrophobicContact CG2-CD1 3.9Å; I389-I393 WeakPolarHBondContact O-CG1 3.49Å; I389-I393 PolarHBondContact O-N 2.85Å
390	V	95.8	Very high	94.1	Very high	34 Å²	34	45.9 Å²	45.9	21%	0.206	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-39.7	179.1	-179.8	0	0	0	0	111.1	P386 V392 I393 V394 F454 F457	P386-V390 WeakPolarHBondContact O-CG2 3.46Å; P386-V390 PolarHBondContact O-N 3.12Å; V390-V392 VanDerWaalsContact C-N 3.35Å; V390-V392 PolarHBondContact O-N 2.9Å; V390-I393 PolarHBondContact O-N 3.02Å; V390-V394 HydrophobicContact CG1-CG2 4.38Å; V390-V394 WeakPolarHBondContact O-CG2 3.3Å; V390-V394 PolarHBondContact O-N 2.96Å; V390-F454 HydrophobicContact CB-CD2 4.37Å; V390-F454 HydrophobicContact CB-CE2 3.98Å; V390-F454 HydrophobicContact CG1-CD2 3.69Å; V390-F454 HydrophobicContact CG1-CE2 3.82Å; V390-F457 HydrophobicContact CB-CD1 4.42Å; V390-F457 HydrophobicContact CB-CE1 4.01Å; V390-F457 HydrophobicContact CB-CZ 4.23Å; V390-F457 HydrophobicContact CG1-CD1 4.17Å; V390-F457 HydrophobicContact CG1-CE1 4.25Å; V390-F457 HydrophobicContact CG1-CG 4.49Å; V390-F457 HydrophobicContact CG2-CE1 4.17Å; V390-F457 HydrophobicContact CG2-CE2 4.24Å; V390-F457 HydrophobicContact CG2-CZ 3.86Å
391	G	94.3	Very high	93.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-38.7	175.9	0	0	0	0	0	113.6	A387 A388 I389 F395 F454 P763	A387-G391 PolarHBondContact O-N 3.07Å; A388-G391 PolarHBondContact O-N 2.81Å; I389-G391 PolarHBondContact O-N 2.93Å; G391-F395 WeakPolarHBondContact O-CB 3.39Å; G391-F395 PolarHBondContact O-N 2.81Å; G391-F454 VanDerWaalsContact CA-CZ 3.46Å; G391-P763 WeakPolarHBondContact CA-O 3.22Å
392	V	94.8	Very high	93.7	Very high	45 Å²	45	47.3 Å²	47.3	27%	0.273	26%	0.258	S	S	.	.	H	α-helix	trans	-68.3	-41.5	173.1	168.4	0	0	0	0	111.5	A388 I389 V390 V394 F395 L396 L764 L767	A388-V392 WeakPolarHBondContact O-CB 3.45Å; A388-V392 VanDerWaalsContact O-CG2 3.28Å; A388-V392 WeakPolarHBondContact O-CG2 3.44Å; A388-V392 PolarHBondContact O-N 3.34Å; I389-V392 PolarHBondContact O-N 2.78Å; V390-V392 VanDerWaalsContact C-N 3.35Å; V390-V392 PolarHBondContact O-N 2.9Å; V392-V394 VanDerWaalsContact C-N 3.34Å; V392-V394 PolarHBondContact O-N 3.29Å; V392-F395 PolarHBondContact O-N 2.82Å; V392-L396 HydrophobicContact CG1-CD1 3.84Å; V392-L396 HydrophobicContact CG1-CG 4.24Å; V392-L396 WeakPolarHBondContact O-CB 3.17Å; V392-L396 VanDerWaalsContact O-CG 3.31Å; V392-L396 WeakPolarHBondContact O-CG 3.38Å; V392-L396 PolarHBondContact O-N 3.12Å; V392-L764 HydrophobicContact CG2-CD2 3.8Å; V392-L767 HydrophobicContact CG2-CD2 3.85Å
393	I	94.8	Very high	93.4	Very high	101 Å²	101	46.7 Å²	46.7	52%	0.518	26%	0.258	S	S	.	.	H	α-helix	trans	-60.9	-44	175.6	-69.1	164.4	0	0	0	110.9	I389 V390 F395 L396 Y397	I389-I393 HydrophobicContact CG2-CD1 3.9Å; I389-I393 WeakPolarHBondContact O-CG1 3.49Å; I389-I393 PolarHBondContact O-N 2.85Å; V390-I393 PolarHBondContact O-N 3.02Å; I393-F395 VanDerWaalsContact C-N 3.34Å; I393-F395 PolarHBondContact O-N 3.05Å; I393-L396 PolarHBondContact O-N 3.32Å; I393-Y397 WeakPolarHBondContact O-CB 3.35Å; I393-Y397 PolarHBondContact O-N 3.08Å
394	V	93.8	Very high	93.1	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.042	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-35.3	177.6	169.3	0	0	0	0	112	V390 V392 G398 A450 T451 F454 P763	V390-V394 HydrophobicContact CG1-CG2 4.38Å; V390-V394 WeakPolarHBondContact O-CG2 3.3Å; V390-V394 PolarHBondContact O-N 2.96Å; V392-V394 VanDerWaalsContact C-N 3.34Å; V392-V394 PolarHBondContact O-N 3.29Å; V394-G398 PolarHBondContact O-N 3.1Å; V394-G398 VanDerWaalsContact O-N 3.1Å; V394-A450 HydrophobicContact CG1-CB 4.13Å; V394-A450 HydrophobicContact CG2-CB 4.34Å; V394-T451 HydrophobicContact CG1-CG2 3.83Å; V394-F454 HydrophobicContact CG1-CB 4.33Å; V394-F454 HydrophobicContact CG2-CB 4.2Å; V394-F454 HydrophobicContact CG2-CD2 4.37Å; V394-F454 HydrophobicContact CG2-CG 4.44Å; V394-P763 HydrophobicContact CG1-CB 4.19Å; V394-P763 HydrophobicContact CG1-CG 4.12Å
395	F	92.1	Very high	92.6	Very high	44 Å²	44	52.6 Å²	52.6	19%	0.193	29%	0.29	C	S	.	.	H	α-helix	trans	-70	-42.9	173.2	-177.4	-103.7	0	0	0	112.4	G391 V392 I393 Y397 G398 C399 L445 F446 L764	G391-F395 WeakPolarHBondContact O-CB 3.39Å; G391-F395 PolarHBondContact O-N 2.81Å; V392-F395 PolarHBondContact O-N 2.82Å; I393-F395 VanDerWaalsContact C-N 3.34Å; I393-F395 PolarHBondContact O-N 3.05Å; F395-Y397 VanDerWaalsContact C-N 3.35Å; F395-Y397 PolarHBondContact O-N 3.23Å; F395-G398 CarbonylContact O-C 3.53Å; F395-G398 WeakPolarHBondContact O-CA 3.35Å; F395-G398 PolarHBondContact O-N 2.86Å; F395-G398 VanDerWaalsContact O-N 3.08Å; F395-C399 PolarHBondContact O-N 2.88Å; F395-C399 PolarHBondContact O-SG 3.48Å; F395-C399 VanDerWaalsContact O-SG 3.38Å; F395-L445 HydrophobicContact CE2-CB 4.1Å; F395-L445 HydrophobicContact CE2-CD1 4.48Å; F395-F446 HydrophobicContact CD2-CE1 4.03Å; F395-F446 HydrophobicContact CD2-CZ 4.47Å; F395-F446 HydrophobicContact CE2-CD1 4.47Å; F395-F446 AromaticContact CE2-CE1 3.71Å; F395-F446 HydrophobicContact CE2-CE1 3.71Å; F395-F446 HydrophobicContact CE2-CE2 4.46Å; F395-F446 AromaticContact CE2-CZ 3.71Å; F395-F446 HydrophobicContact CE2-CZ 3.71Å; F395-L764 HydrophobicContact CB-CD2 3.83Å; F395-L764 HydrophobicContact CB-CG 4.13Å; F395-L764 HydrophobicContact CD1-CD1 3.95Å; F395-L764 HydrophobicContact CD1-CD2 4.27Å; F395-L764 HydrophobicContact CD1-CG 4.44Å; F395-L764 HydrophobicContact CD2-CD1 3.93Å; F395-L764 HydrophobicContact CD2-CG 4.2Å; F395-L764 HydrophobicContact CE1-CD1 4.1Å; F395-L764 HydrophobicContact CE2-CD1 4.09Å; F395-L764 HydrophobicContact CG-CD1 3.85Å; F395-L764 HydrophobicContact CG-CD2 4.03Å; F395-L764 HydrophobicContact CG-CG 3.99Å; F395-L764 HydrophobicContact CZ-CD1 4.17Å
396	L	92.7	Very high	92.4	Very high	102 Å²	102	51.2 Å²	51.2	53%	0.534	28%	0.283	S	S	.	.	H	α-helix	trans	-65.5	-36.1	176.3	-71.8	172.7	0	0	0	112.3	V392 I393 G398 C399 A400	V392-L396 HydrophobicContact CG1-CD1 3.84Å; V392-L396 HydrophobicContact CG1-CG 4.24Å; V392-L396 WeakPolarHBondContact O-CB 3.17Å; V392-L396 VanDerWaalsContact O-CG 3.31Å; V392-L396 WeakPolarHBondContact O-CG 3.38Å; V392-L396 PolarHBondContact O-N 3.12Å; I393-L396 PolarHBondContact O-N 3.32Å; L396-G398 VanDerWaalsContact C-N 3.32Å; L396-C399 WeakPolarHBondContact O-CB 3.39Å; L396-C399 PolarHBondContact O-N 2.81Å; L396-A400 WeakPolarHBondContact O-CB 3.45Å; L396-A400 PolarHBondContact O-N 3.41Å
397	Y	93.3	Very high	92.1	Very high	117 Å²	117	48.9 Å²	48.9	46%	0.459	27%	0.268	S	S	.	.	H	α-helix	trans	-60.4	-43	168.5	175.3	-93.4	0	0	0	111.4	I393 F395 C399 A400 T401 A450	I393-Y397 WeakPolarHBondContact O-CB 3.35Å; I393-Y397 PolarHBondContact O-N 3.08Å; F395-Y397 VanDerWaalsContact C-N 3.35Å; F395-Y397 PolarHBondContact O-N 3.23Å; Y397-C399 PolarHBondContact O-N 3.23Å; Y397-A400 PolarHBondContact O-N 3.36Å; Y397-T401 HydrophobicContact CD2-CG2 4.47Å; Y397-T401 HydrophobicContact CE1-CG2 4.37Å; Y397-T401 HydrophobicContact CE2-CG2 4.02Å; Y397-T401 PolarHBondContact O-N 2.85Å; Y397-T401 VanDerWaalsContact O-N 3.17Å; Y397-T401 PolarHBondContact O-OG1 3.09Å; Y397-A450 HydrophobicContact CD1-CB 3.9Å; Y397-A450 HydrophobicContact CE1-CB 4.18Å
398	G	91.1	Very high	91.7	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.1	-45.6	171.3	0	0	0	0	0	112.6	V394 F395 L396 T401 V402	V394-G398 PolarHBondContact O-N 3.1Å; V394-G398 VanDerWaalsContact O-N 3.1Å; F395-G398 CarbonylContact O-C 3.53Å; F395-G398 WeakPolarHBondContact O-CA 3.35Å; F395-G398 PolarHBondContact O-N 2.86Å; F395-G398 VanDerWaalsContact O-N 3.08Å; L396-G398 VanDerWaalsContact C-N 3.32Å; G398-T401 PolarHBondContact O-N 3.47Å; G398-T401 PolarHBondContact O-OG1 3.39Å; G398-V402 VanDerWaalsContact O-CG2 3.22Å; G398-V402 WeakPolarHBondContact O-CG2 3.31Å; G398-V402 PolarHBondContact O-N 3.31Å
399	C	91.4	Very high	91.4	Very high	53 Å²	53	52.8 Å²	52.8	36%	0.358	29%	0.287	S	S	.	.	H	α-helix	trans	-61.5	-44.5	175.4	-65	0	0	0	0	112.9	F395 L396 Y397 T401 L445	F395-C399 PolarHBondContact O-N 2.88Å; F395-C399 PolarHBondContact O-SG 3.48Å; F395-C399 VanDerWaalsContact O-SG 3.38Å; L396-C399 WeakPolarHBondContact O-CB 3.39Å; L396-C399 PolarHBondContact O-N 2.81Å; Y397-C399 PolarHBondContact O-N 3.23Å; C399-T401 PolarHBondContact O-N 2.94Å; C399-L445 HydrophobicContact CB-CD2 4.26Å
400	A	92.4	Very high	91.1	Very high	76 Å²	76	49.7 Å²	49.7	63%	0.628	27%	0.27	S	S	*	.	H	α-helix	trans	-66.7	-25.2	-178.2	0	0	0	0	0	113.2	L396 Y397	L396-A400 WeakPolarHBondContact O-CB 3.45Å; L396-A400 PolarHBondContact O-N 3.41Å; Y397-A400 PolarHBondContact O-N 3.36Å
401	T	91.3	Very high	90.8	Very high	26 Å²	26	48.9 Å²	48.9	16%	0.16	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	12.4	-173.7	55.4	0	0	0	0	114.1	Y397 G398 C399 N405 H444	Y397-T401 HydrophobicContact CD2-CG2 4.47Å; Y397-T401 HydrophobicContact CE1-CG2 4.37Å; Y397-T401 HydrophobicContact CE2-CG2 4.02Å; Y397-T401 PolarHBondContact O-N 2.85Å; Y397-T401 VanDerWaalsContact O-N 3.17Å; Y397-T401 PolarHBondContact O-OG1 3.09Å; G398-T401 PolarHBondContact O-N 3.47Å; G398-T401 PolarHBondContact O-OG1 3.39Å; C399-T401 PolarHBondContact O-N 2.94Å; T401-N405 PolarHBondContact O-N 3.25Å; T401-H444 PolarHBondContact O-CE1 3.31Å; T401-H444 VanDerWaalsContact O-CE1 3.24Å; T401-H444 PolarHBondContact O-ND1 2.83Å; T401-H444 PolarHBondContact OG1-CE1 3.29Å
402	V	89	Confident	90.5	Very high	16 Å²	16	50 Å²	50	10%	0.097	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-46.8	179.2	176.8	0	0	0	0	112.4	G398 R441 L445	G398-V402 VanDerWaalsContact O-CG2 3.22Å; G398-V402 WeakPolarHBondContact O-CG2 3.31Å; G398-V402 PolarHBondContact O-N 3.31Å; V402-R441 HydrophobicContact CG1-CB 3.79Å; V402-R441 HydrophobicContact CG1-CG 3.84Å; V402-L445 HydrophobicContact CG2-CD2 3.43Å; V402-L445 VanDerWaalsContact CG2-CD2 3.43Å; V402-L445 HydrophobicContact CG2-CG 4.2Å
403	D	87	Confident	90.3	Very high	93 Å²	93	50.4 Å²	50.4	50%	0.497	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-22.3	-172.9	-71.4	-76.7	0	0	0	113.1	M409 R441	D403-M409 WeakPolarHBondContact O-CG 3.12Å; D403-R441 IonicContact OD1-CZ 3.82Å; D403-R441 IonicContact OD1-NH1 3.97Å; D403-R441 PolarHBondContact OD1-NH1 2.84Å; D403-R441 IonicContact OD1-NH2 2.67Å; D403-R441 PolarHBondContact OD1-NH2 3.24Å; D403-R441 IonicContact OD2-NH1 3.83Å
404	D	87.3	Confident	89.8	Confident	127 Å²	127	49.5 Å²	49.5	68%	0.679	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-18.9	174.3	-62.8	-40.5	0	0	0	113.6	I406	D404-I406 PolarHBondContact O-N 2.95Å
405	N	86.4	Confident	89.4	Confident	29 Å²	29	59.4 Å²	59.4	16%	0.155	31%	0.31	C	S	.	.			trans	-75.6	102.2	-172	176.9	60.1	0	0	0	112.2	T401 P407 S408 M409 H444	T401-N405 PolarHBondContact O-N 3.25Å; N405-P407 WeakPolarHBondContact OD1-CD 3.4Å; N405-S408 WeakPolarHBondContact CB-OG 3.41Å; N405-S408 PolarHBondContact ND2-N 2.97Å; N405-S408 PolarHBondContact ND2-OG 3.29Å; N405-S408 PolarHBondContact O-N 3.03Å; N405-S408 PolarHBondContact O-OG 2.9Å; N405-M409 PolarHBondContact O-N 3.09Å; N405-M409 VanDerWaalsContact O-N 3.17Å; N405-H444 VanDerWaalsContact CG-CD2 3.44Å; N405-H444 PolarHBondContact ND2-CD2 3.02Å
406	I	89.9	Confident	88.7	Confident	50 Å²	50	60.5 Å²	60.5	26%	0.256	32%	0.318	S	S	.	.	H	α-helix	trans	-46	-51.1	-176.2	-66	162.5	0	0	0	113.2	D404 S408 M409 E410 M843 H844	D404-I406 PolarHBondContact O-N 2.95Å; I406-S408 VanDerWaalsContact C-N 3.32Å; I406-S408 PolarHBondContact O-N 2.83Å; I406-M409 PolarHBondContact O-N 3.01Å; I406-E410 HydrophobicContact CG2-CG 4.27Å; I406-E410 PolarHBondContact O-N 3.12Å; I406-M843 HydrophobicContact CB-CB 4.15Å; I406-M843 HydrophobicContact CD1-CB 4.33Å; I406-M843 HydrophobicContact CG2-CB 4.26Å; I406-H844 WeakPolarHBondContact CG2-ND1 3.48Å
407	P	88.4	Confident	88.3	Confident	7 Å²	7	60.6 Å²	60.6	5%	0.045	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-31.4	178.3	-29.3	37.7	0	0	0	116	N405 I411 M843 F846 V847	N405-P407 WeakPolarHBondContact OD1-CD 3.4Å; P407-I411 WeakPolarHBondContact O-CD1 3.33Å; P407-I411 WeakPolarHBondContact O-CG1 3.5Å; P407-I411 PolarHBondContact O-N 2.91Å; P407-M843 HydrophobicContact CG-CB 4.26Å; P407-M843 HydrophobicContact CG-CE 3.92Å; P407-F846 HydrophobicContact CB-CD1 3.93Å; P407-F846 HydrophobicContact CB-CE1 4.48Å; P407-F846 HydrophobicContact CG-CD1 3.94Å; P407-F846 HydrophobicContact CG-CG 4.48Å; P407-V847 HydrophobicContact CB-CG2 4.37Å
408	S	88.4	Confident	88.1	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-75.9	-34.5	172.5	32.4	0	0	0	0	111.8	N405 I406 I411 C412	N405-S408 WeakPolarHBondContact CB-OG 3.41Å; N405-S408 PolarHBondContact ND2-N 2.97Å; N405-S408 PolarHBondContact ND2-OG 3.29Å; N405-S408 PolarHBondContact O-N 3.03Å; N405-S408 PolarHBondContact O-OG 2.9Å; I406-S408 VanDerWaalsContact C-N 3.32Å; I406-S408 PolarHBondContact O-N 2.83Å; S408-I411 PolarHBondContact O-N 2.93Å; S408-C412 WeakPolarHBondContact O-CB 3.41Å; S408-C412 PolarHBondContact O-N 2.67Å; S408-C412 PolarHBondContact O-SG 3.33Å
409	M	89.1	Confident	88	Confident	83 Å²	83	58.1 Å²	58.1	41%	0.409	32%	0.315	S	S	.	.	H	α-helix	trans	-67.6	-38.8	175.2	-65.3	-59.8	-81.2	0	0	112	D403 N405 I406 I411 C412 D413 R441	D403-M409 WeakPolarHBondContact O-CG 3.12Å; N405-M409 PolarHBondContact O-N 3.09Å; N405-M409 VanDerWaalsContact O-N 3.17Å; I406-M409 PolarHBondContact O-N 3.01Å; M409-I411 VanDerWaalsContact C-N 3.3Å; M409-I411 PolarHBondContact O-N 3.14Å; M409-C412 CarbonylContact O-C 3.51Å; M409-C412 PolarHBondContact O-N 2.93Å; M409-C412 VanDerWaalsContact O-N 3.07Å; M409-D413 PolarHBondContact O-N 3.49Å; M409-R441 PolarHBondContact SD-NH2 3.21Å
410	E	89.7	Confident	87.9	Confident	30 Å²	30	55.9 Å²	55.9	14%	0.14	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-33.4	173.2	-74.1	-171.9	170.3	0	0	113.6	I406 N416 H844 G845 V847	I406-E410 HydrophobicContact CG2-CG 4.27Å; I406-E410 PolarHBondContact O-N 3.12Å; E410-N416 PolarHBondContact O-ND2 2.71Å; E410-H844 WeakPolarHBondContact OE1-CA 3.04Å; E410-H844 IonicContact OE1-ND1 2.89Å; E410-G845 PolarHBondContact OE1-N 3.01Å; E410-V847 HydrophobicContact CB-CB 4.11Å; E410-V847 HydrophobicContact CB-CG2 3.7Å; E410-V847 WeakPolarHBondContact OE2-CB 3.31Å; E410-V847 WeakPolarHBondContact OE2-CG2 3.29Å; E410-V847 PolarHBondContact OE2-N 2.93Å
411	I	88.9	Confident	87.7	Confident	17 Å²	17	52.7 Å²	52.7	9%	0.087	27%	0.272	C	S	.	.	H	α-helix	trans	-75.5	-29.5	174.2	-69	168.6	0	0	0	111.5	P407 S408 M409 L433 E434 A440 V847	P407-I411 WeakPolarHBondContact O-CD1 3.33Å; P407-I411 WeakPolarHBondContact O-CG1 3.5Å; P407-I411 PolarHBondContact O-N 2.91Å; S408-I411 PolarHBondContact O-N 2.93Å; M409-I411 VanDerWaalsContact C-N 3.3Å; M409-I411 PolarHBondContact O-N 3.14Å; I411-L433 HydrophobicContact CG1-CD1 4.32Å; I411-L433 HydrophobicContact CG1-CD2 4.37Å; I411-L433 HydrophobicContact CG1-CG 4.42Å; I411-L433 HydrophobicContact CG2-CD1 4.1Å; I411-L433 HydrophobicContact CG2-CG 4.15Å; I411-E434 WeakPolarHBondContact O-CA 3.26Å; I411-A440 HydrophobicContact CB-CB 4.29Å; I411-A440 HydrophobicContact CD1-CB 3.84Å; I411-A440 HydrophobicContact CG2-CB 3.91Å; I411-V847 HydrophobicContact CD1-CG2 4.32Å; I411-V847 HydrophobicContact CG1-CG1 3.96Å; I411-V847 HydrophobicContact CG1-CG2 3.93Å
412	C	89.3	Confident	87.5	Confident	24 Å²	24	51.6 Å²	51.6	16%	0.162	27%	0.265	C	S	.	.	H	α-helix	trans	-90.3	-11.8	-178.6	-65.2	0	0	0	0	114.2	S408 M409 P414 C437	S408-C412 WeakPolarHBondContact O-CB 3.41Å; S408-C412 PolarHBondContact O-N 2.67Å; S408-C412 PolarHBondContact O-SG 3.33Å; M409-C412 CarbonylContact O-C 3.51Å; M409-C412 PolarHBondContact O-N 2.93Å; M409-C412 VanDerWaalsContact O-N 3.07Å; C412-P414 WeakPolarHBondContact O-CD 3.25Å; C412-C437 HydrophobicContact CB-CB 3.91Å; C412-C437 WeakPolarHBondContact CB-SG 3.46Å; C412-C437 VanDerWaalsContact SG-CA 3.58Å; C412-C437 WeakPolarHBondContact SG-CB 2.95Å; C412-C437 CovalentContact SG-SG 2.03Å; C412-C437 PolarHBondContact SG-SG 3.39Å
413	D	89.7	Confident	87	Confident	54 Å²	54	53.1 Å²	53.1	29%	0.289	27%	0.273	S	S	.	.			trans	-76.4	114.2	179.7	-175.9	-2.4	0	0	0	111.7	M409 R415 N416	M409-D413 PolarHBondContact O-N 3.49Å; D413-R415 PolarHBondContact O-N 3.14Å; D413-R415 VanDerWaalsContact O-N 3.13Å; D413-R415 VanDerWaalsContact OD1-CB 3.23Å; D413-R415 WeakPolarHBondContact OD1-CB 3.5Å; D413-R415 WeakPolarHBondContact OD1-CD 3.41Å; D413-R415 WeakPolarHBondContact OD1-CG 3.3Å; D413-R415 PolarHBondContact OD1-N 3.48Å; D413-N416 PolarHBondContact O-N 3Å
414	P	84.9	Confident	86.7	Confident	81 Å²	81	49.3 Å²	49.3	53%	0.526	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.8	179.3	29	-36.8	0	0	0	113.9	C412 N416	C412-P414 WeakPolarHBondContact O-CD 3.25Å; P414-N416 VanDerWaalsContact C-N 3.26Å; P414-N416 PolarHBondContact O-N 3.34Å
415	R	84.3	Confident	86.3	Confident	215 Å²	215	45.1 Å²	45.1	81%	0.811	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-32.1	171.7	-61.1	167.9	-180	-168.9	0.3	111.3	D413 N417	D413-R415 PolarHBondContact O-N 3.14Å; D413-R415 VanDerWaalsContact O-N 3.13Å; D413-R415 VanDerWaalsContact OD1-CB 3.23Å; D413-R415 WeakPolarHBondContact OD1-CB 3.5Å; D413-R415 WeakPolarHBondContact OD1-CD 3.41Å; D413-R415 WeakPolarHBondContact OD1-CG 3.3Å; D413-R415 PolarHBondContact OD1-N 3.48Å; R415-N417 VanDerWaalsContact C-N 3.28Å; R415-N417 PolarHBondContact O-N 2.65Å
416	N	77.9	Confident	85.8	Confident	67 Å²	67	46.1 Å²	46.1	36%	0.358	24%	0.24	S	C	.	.			trans	-79.5	73.3	177	-68.6	-30.1	0	0	0	110.5	E410 D413 P414 I418	E410-N416 PolarHBondContact O-ND2 2.71Å; D413-N416 PolarHBondContact O-N 3Å; P414-N416 VanDerWaalsContact C-N 3.26Å; P414-N416 PolarHBondContact O-N 3.34Å; N416-I418 HydrophobicContact CB-CD1 4.26Å; N416-I418 PolarHBondContact O-N 2.68Å
417	N	84.1	Confident	85.1	Confident	104 Å²	104	44.5 Å²	44.5	56%	0.556	24%	0.235	S	C	*	.			trans	-71.5	55.6	-176.3	-168.4	39.8	0	0	0	113.6	R415 K432	R415-N417 VanDerWaalsContact C-N 3.28Å; R415-N417 PolarHBondContact O-N 2.65Å; N417-K432 VanDerWaalsContact OD1-CE 3.22Å; N417-K432 WeakPolarHBondContact OD1-CE 3.46Å; N417-K432 PolarHBondContact OD1-NZ 2.97Å
418	I	88.9	Confident	84.7	Confident	23 Å²	23	44.9 Å²	44.9	12%	0.118	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-84.2	120.1	-174.3	-64.7	168	0	0	0	110.5	N416 M420 L433 L851 R876	N416-I418 HydrophobicContact CB-CD1 4.26Å; N416-I418 PolarHBondContact O-N 2.68Å; I418-M420 HydrophobicContact CG2-SD 4.1Å; I418-L433 HydrophobicContact CB-CB 4.08Å; I418-L433 HydrophobicContact CB-CD2 4.17Å; I418-L433 HydrophobicContact CD1-CD2 3.85Å; I418-L433 HydrophobicContact CG2-CB 4.33Å; I418-L433 HydrophobicContact CG2-CD2 4.3Å; I418-L433 PolarHBondContact O-N 2.95Å; I418-L433 VanDerWaalsContact O-N 3.09Å; I418-L851 HydrophobicContact CG2-CD1 4.2Å; I418-R876 HydrophobicContact CG2-CB 4.3Å; I418-R876 HydrophobicContact CG2-CG 4.34Å
419	T	90.6	Very high	84.5	Confident	42 Å²	42	46.5 Å²	46.5	26%	0.258	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120	175.3	40.6	0	0	0	0	111.5	V872 V874 C875 R876	T419-V872 HydrophobicContact CG2-CG1 4.43Å; T419-V872 HydrophobicContact CG2-CG2 4.15Å; T419-V874 PolarHBondContact OG1-O 3.35Å; T419-C875 CarbonylContact O-C 2.98Å; T419-C875 WeakPolarHBondContact O-CA 3.49Å; T419-R876 PolarHBondContact O-N 2.9Å
420	M	88.8	Confident	84.4	Confident	7 Å²	7	43.2 Å²	43.2	3%	0.034	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	146.1	179.9	-63.8	-63.2	-61.5	0	0	111.9	I418 W431 L433 L851 R876	I418-M420 HydrophobicContact CG2-SD 4.1Å; M420-W431 HydrophobicContact CB-CD2 3.68Å; M420-W431 HydrophobicContact CB-CE3 4.13Å; M420-W431 HydrophobicContact CB-CG 4.18Å; M420-W431 HydrophobicContact CB-CH2 3.92Å; M420-W431 HydrophobicContact CB-CZ2 3.45Å; M420-W431 VanDerWaalsContact CB-CZ2 3.45Å; M420-W431 HydrophobicContact CB-CZ3 4.23Å; M420-W431 HydrophobicContact CE-CH2 4.23Å; M420-W431 HydrophobicContact CE-CZ2 4.12Å; M420-W431 HydrophobicContact CG-CD2 4.28Å; M420-W431 HydrophobicContact CG-CE3 4.21Å; M420-W431 HydrophobicContact CG-CH2 3.76Å; M420-W431 HydrophobicContact CG-CZ2 3.83Å; M420-W431 HydrophobicContact CG-CZ3 3.96Å; M420-W431 PolarHBondContact N-O 3.3Å; M420-L433 HydrophobicContact CG-CB 4.37Å; M420-L851 HydrophobicContact CE-CD2 3.83Å; M420-L851 HydrophobicContact SD-CD1 4.18Å; M420-L851 HydrophobicContact SD-CD2 4.11Å; M420-R876 WeakPolarHBondContact CA-O 3.24Å; M420-R876 WeakPolarHBondContact CE-O 3.48Å; M420-R876 HydrophobicContact SD-CB 4Å
421	C	88.8	Confident	84.2	Confident	9 Å²	9	44.4 Å²	44.4	6%	0.061	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-67.6	152.7	179.4	-56.6	0	0	0	0	112.6	W431 C875 R876	C421-W431 PolarHBondContact O-NE1 3.05Å; C421-C875 VanDerWaalsContact CA-SG 3.5Å; C421-C875 HydrophobicContact CB-CB 4.01Å; C421-C875 WeakPolarHBondContact CB-SG 3.47Å; C421-C875 WeakPolarHBondContact SG-CB 3.35Å; C421-C875 CovalentContact SG-SG 2.04Å; C421-C875 PolarHBondContact SG-SG 2.96Å; C421-R876 PolarHBondContact N-O 2.92Å; C421-R876 PolarHBondContact SG-O 3.35Å; C421-R876 VanDerWaalsContact SG-O 3.35Å
422	P	85.9	Confident	84.2	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.013	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-71.7	136.1	-173.7	27.9	-35.3	0	0	0	113.9	C424 C428 R664 F859 P865	P422-C424 VanDerWaalsContact C-N 3.31Å; P422-C424 PolarHBondContact O-N 3.21Å; P422-C428 HydrophobicContact CB-CB 4.01Å; P422-C428 VanDerWaalsContact CB-O 3.3Å; P422-C428 WeakPolarHBondContact CB-O 3.43Å; P422-R664 PolarHBondContact O-NH1 2.93Å; P422-R664 PolarHBondContact O-NH2 3.44Å; P422-F859 HydrophobicContact CG-CZ 4.33Å; P422-P865 HydrophobicContact CG-CB 4.46Å
423	L	79.6	Confident	84.1	Confident	48 Å²	48	46.5 Å²	46.5	25%	0.251	24%	0.241	S	C	.	.	S	Bend	trans	-83.6	3.2	-174.8	-52.6	177	0	0	0	114.6	W431 E667	L423-W431 HydrophobicContact CD1-CZ2 4.41Å; L423-W431 HydrophobicContact CD2-CZ2 4.01Å; L423-W431 HydrophobicContact CG-CZ2 4.43Å; L423-E667 WeakPolarHBondContact CD2-OE2 3.25Å
424	C	78.8	Confident	84	Confident	13 Å²	13	47.8 Å²	47.8	9%	0.088	25%	0.245	C	C	.	.	S	Bend	trans	-153.9	162.5	172.6	77	0	0	0	0	110.5	P422 C428	P422-C424 VanDerWaalsContact C-N 3.31Å; P422-C424 PolarHBondContact O-N 3.21Å; C424-C428 HydrophobicContact CB-CB 4.09Å; C424-C428 WeakPolarHBondContact CB-SG 3.37Å; C424-C428 PolarHBondContact N-SG 3.49Å; C424-C428 WeakPolarHBondContact SG-CB 3.28Å; C424-C428 PolarHBondContact SG-N 2.97Å; C424-C428 VanDerWaalsContact SG-N 3.43Å; C424-C428 CovalentContact SG-SG 2.04Å; C424-C428 PolarHBondContact SG-SG 3.48Å
425	D	80.6	Confident	84	Confident	39 Å²	39	48.8 Å²	48.8	21%	0.209	25%	0.25	C	C	.	.	S	Bend	trans	-87.3	136	-173.7	-54.4	-14	0	0	0	109.8	A427 Y658 R664	D425-A427 PolarHBondContact O-N 3.45Å; D425-Y658 VanDerWaalsContact OD2-CE1 3.24Å; D425-Y658 WeakPolarHBondContact OD2-CE1 3.24Å; D425-Y658 PolarHBondContact OD2-OH 3.47Å; D425-R664 WeakPolarHBondContact OD1-CD 3.24Å; D425-R664 IonicContact OD1-CZ 2.74Å; D425-R664 IonicContact OD1-NE 2.93Å; D425-R664 IonicContact OD1-NH1 2.66Å; D425-R664 PolarHBondContact OD1-NH1 3.33Å
426	S	75.5	Confident	84	Confident	50 Å²	50	39 Å²	39	35%	0.35	22%	0.215	S	C	.	.	S	Bend	trans	60.2	-60.4	-173.2	72.1	0	0	0	0	116.4	C428 E864 N866	S426-C428 VanDerWaalsContact C-N 3.31Å; S426-C428 PolarHBondContact O-N 3.37Å; S426-E864 WeakPolarHBondContact CA-O 3.07Å; S426-N866 PolarHBondContact O-N 2.95Å
427	A	75	Confident	84.5	Confident	17 Å²	17	37.2 Å²	37.2	14%	0.14	21%	0.207	C	C	.	.	S	Bend	trans	-83.6	8.4	-165.4	0	0	0	0	0	116	D425 H566 L567	D425-A427 PolarHBondContact O-N 3.45Å; A427-H566 HydrophobicContact CB-CB 4.03Å; A427-H566 PolarHBondContact O-ND1 2.79Å; A427-L567 HydrophobicContact CB-CD2 4.27Å
428	C	79.1	Confident	84.5	Confident	14 Å²	14	34.8 Å²	34.8	10%	0.095	21%	0.207	C	C	.	.			trans	-119.3	123.2	177.9	-74	0	0	0	0	110.7	P422 C424 S426 H566 P865	P422-C428 HydrophobicContact CB-CB 4.01Å; P422-C428 VanDerWaalsContact CB-O 3.3Å; P422-C428 WeakPolarHBondContact CB-O 3.43Å; C424-C428 HydrophobicContact CB-CB 4.09Å; C424-C428 WeakPolarHBondContact CB-SG 3.37Å; C424-C428 PolarHBondContact N-SG 3.49Å; C424-C428 WeakPolarHBondContact SG-CB 3.28Å; C424-C428 PolarHBondContact SG-N 2.97Å; C424-C428 VanDerWaalsContact SG-N 3.43Å; C424-C428 CovalentContact SG-SG 2.04Å; C424-C428 PolarHBondContact SG-SG 3.48Å; S426-C428 VanDerWaalsContact C-N 3.31Å; S426-C428 PolarHBondContact O-N 3.37Å; C428-H566 PolarHBondContact SG-CE1 2.97Å; C428-P865 WeakPolarHBondContact O-CB 3.41Å
429	S	84.2	Confident	84.2	Confident	38 Å²	38	36.3 Å²	36.3	27%	0.266	22%	0.217	S	C	.	.			trans	-74.7	168.6	169.5	64.4	0	0	0	0	112.4	N869	S429-N869 PolarHBondContact OG-ND2 2.88Å
430	Y	87	Confident	83.9	Confident	14 Å²	14	34.7 Å²	34.7	6%	0.055	21%	0.209	C	C	.	.			trans	-56.2	152.2	161.7	-58.9	-69	0	0	0	111.3	V856 P865 V872 C875	Y430-V856 HydrophobicContact CE1-CG2 4.31Å; Y430-V856 WeakPolarHBondContact OH-CG1 3.37Å; Y430-P865 HydrophobicContact CD2-CG 4.29Å; Y430-P865 HydrophobicContact CE1-CG 4.38Å; Y430-P865 HydrophobicContact CE2-CG 3.6Å; Y430-V872 HydrophobicContact CD2-CB 4.12Å; Y430-V872 HydrophobicContact CD2-CG2 3.99Å; Y430-V872 HydrophobicContact CE2-CB 4.12Å; Y430-V872 HydrophobicContact CE2-CG2 4.46Å; Y430-V872 HydrophobicContact CG-CB 4.5Å; Y430-V872 HydrophobicContact CG-CG2 4.28Å; Y430-C875 HydrophobicContact CD1-CB 4.18Å; Y430-C875 HydrophobicContact CE1-CB 4.08Å
431	W	86.3	Confident	83.8	Confident	55 Å²	55	37.8 Å²	37.8	21%	0.208	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.8	-179.8	57.5	-74.6	0	0	0	110.8	M420 C421 L423 A436 H670	M420-W431 HydrophobicContact CB-CD2 3.68Å; M420-W431 HydrophobicContact CB-CE3 4.13Å; M420-W431 HydrophobicContact CB-CG 4.18Å; M420-W431 HydrophobicContact CB-CH2 3.92Å; M420-W431 HydrophobicContact CB-CZ2 3.45Å; M420-W431 VanDerWaalsContact CB-CZ2 3.45Å; M420-W431 HydrophobicContact CB-CZ3 4.23Å; M420-W431 HydrophobicContact CE-CH2 4.23Å; M420-W431 HydrophobicContact CE-CZ2 4.12Å; M420-W431 HydrophobicContact CG-CD2 4.28Å; M420-W431 HydrophobicContact CG-CE3 4.21Å; M420-W431 HydrophobicContact CG-CH2 3.76Å; M420-W431 HydrophobicContact CG-CZ2 3.83Å; M420-W431 HydrophobicContact CG-CZ3 3.96Å; M420-W431 PolarHBondContact N-O 3.3Å; C421-W431 PolarHBondContact O-NE1 3.05Å; L423-W431 HydrophobicContact CD1-CZ2 4.41Å; L423-W431 HydrophobicContact CD2-CZ2 4.01Å; L423-W431 HydrophobicContact CG-CZ2 4.43Å; W431-A436 HydrophobicContact CZ3-CB 4.18Å; W431-H670 HydrophobicContact CH2-CB 4.2Å
432	K	88.4	Confident	83.6	Confident	83 Å²	83	38.6 Å²	38.6	36%	0.361	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	141.5	176.6	-71.2	-162.4	-179.4	-159.5	0	111	N417 E434 T435	N417-K432 VanDerWaalsContact OD1-CE 3.22Å; N417-K432 WeakPolarHBondContact OD1-CE 3.46Å; N417-K432 PolarHBondContact OD1-NZ 2.97Å; K432-E434 VanDerWaalsContact C-N 3.27Å; K432-E434 HydrophobicContact CB-CB 4.5Å; K432-E434 PolarHBondContact O-N 2.95Å; K432-T435 HydrophobicContact CB-CG2 4.45Å; K432-T435 WeakPolarHBondContact O-CB 3.49Å; K432-T435 PolarHBondContact O-N 2.93Å; K432-T435 VanDerWaalsContact O-N 3.14Å; K432-T435 PolarHBondContact O-OG1 3.38Å
433	L	87.7	Confident	83.5	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-53.3	-42.1	177.2	179.6	56	0	0	0	113.5	I411 I418 M420 T435 A436 H670 V847 L851	I411-L433 HydrophobicContact CG1-CD1 4.32Å; I411-L433 HydrophobicContact CG1-CD2 4.37Å; I411-L433 HydrophobicContact CG1-CG 4.42Å; I411-L433 HydrophobicContact CG2-CD1 4.1Å; I411-L433 HydrophobicContact CG2-CG 4.15Å; I418-L433 HydrophobicContact CB-CB 4.08Å; I418-L433 HydrophobicContact CB-CD2 4.17Å; I418-L433 HydrophobicContact CD1-CD2 3.85Å; I418-L433 HydrophobicContact CG2-CB 4.33Å; I418-L433 HydrophobicContact CG2-CD2 4.3Å; I418-L433 PolarHBondContact O-N 2.95Å; I418-L433 VanDerWaalsContact O-N 3.09Å; M420-L433 HydrophobicContact CG-CB 4.37Å; L433-T435 PolarHBondContact O-N 2.86Å; L433-A436 WeakPolarHBondContact O-CB 3.38Å; L433-A436 PolarHBondContact O-N 3.3Å; L433-H670 WeakPolarHBondContact CD1-CD2 3.42Å; L433-H670 VanDerWaalsContact CD1-NE2 3.29Å; L433-H670 WeakPolarHBondContact CD1-NE2 3.41Å; L433-V847 HydrophobicContact CD2-CG1 3.77Å; L433-L851 HydrophobicContact CD2-CD1 4.36Å
434	E	87.3	Confident	83.9	Confident	80 Å²	80	37 Å²	37	37%	0.374	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-44.2	-38.2	175.3	-172.5	-172.5	174.4	0	0	113.7	I411 K432 A436 C437	I411-E434 WeakPolarHBondContact O-CA 3.26Å; K432-E434 VanDerWaalsContact C-N 3.27Å; K432-E434 HydrophobicContact CB-CB 4.5Å; K432-E434 PolarHBondContact O-N 2.95Å; E434-A436 PolarHBondContact O-N 2.95Å; E434-C437 WeakPolarHBondContact O-CB 3.39Å; E434-C437 PolarHBondContact O-N 2.85Å
435	T	85.8	Confident	84.1	Confident	103 Å²	103	38 Å²	38	63%	0.632	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-64.7	-11.6	179.1	66.2	0	0	0	0	114.4	K432 L433	K432-T435 HydrophobicContact CB-CG2 4.45Å; K432-T435 WeakPolarHBondContact O-CB 3.49Å; K432-T435 PolarHBondContact O-N 2.93Å; K432-T435 VanDerWaalsContact O-N 3.14Å; K432-T435 PolarHBondContact O-OG1 3.38Å; L433-T435 PolarHBondContact O-N 2.86Å
436	A	83.4	Confident	84.2	Confident	9 Å²	9	37 Å²	37	7%	0.074	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-96.2	-1.2	172.1	0	0	0	0	0	113.8	W431 L433 E434 G438 T439 A440 H670	W431-A436 HydrophobicContact CZ3-CB 4.18Å; L433-A436 WeakPolarHBondContact O-CB 3.38Å; L433-A436 PolarHBondContact O-N 3.3Å; E434-A436 PolarHBondContact O-N 2.95Å; A436-G438 VanDerWaalsContact C-N 3.3Å; A436-G438 PolarHBondContact O-N 3.08Å; A436-T439 PolarHBondContact O-N 3.12Å; A436-T439 PolarHBondContact O-OG1 2.99Å; A436-A440 PolarHBondContact O-N 2.9Å; A436-H670 HydrophobicContact CB-CB 4.17Å
437	C	88.2	Confident	84.6	Confident	29 Å²	29	35 Å²	35	20%	0.196	20%	0.202	C	C	.	.	H	α-helix	trans	-48.6	-47.4	-179.9	170.2	0	0	0	0	112.9	C412 E434 T439 A440 R441	C412-C437 HydrophobicContact CB-CB 3.91Å; C412-C437 WeakPolarHBondContact CB-SG 3.46Å; C412-C437 VanDerWaalsContact SG-CA 3.58Å; C412-C437 WeakPolarHBondContact SG-CB 2.95Å; C412-C437 CovalentContact SG-SG 2.03Å; C412-C437 PolarHBondContact SG-SG 3.39Å; E434-C437 WeakPolarHBondContact O-CB 3.39Å; E434-C437 PolarHBondContact O-N 2.85Å; C437-T439 VanDerWaalsContact C-N 3.34Å; C437-T439 PolarHBondContact O-N 2.81Å; C437-A440 PolarHBondContact O-N 2.97Å; C437-R441 WeakPolarHBondContact O-CG 3.48Å; C437-R441 PolarHBondContact O-N 2.77Å
438	G	84.8	Confident	85.2	Confident	54 Å²	54	34.3 Å²	34.3	56%	0.557	20%	0.196	S	C	*	.	H	α-helix	trans	-62.1	-35.2	177.9	0	0	0	0	0	114.1	A436 A442	A436-G438 VanDerWaalsContact C-N 3.3Å; A436-G438 PolarHBondContact O-N 3.08Å; G438-A442 VanDerWaalsContact O-CB 3.26Å; G438-A442 WeakPolarHBondContact O-CB 3.39Å; G438-A442 PolarHBondContact O-N 3.37Å; G438-A442 VanDerWaalsContact O-N 3.12Å
439	T	82.3	Confident	85.6	Confident	54 Å²	54	37.2 Å²	37.2	33%	0.331	22%	0.215	S	C	.	.	H	α-helix	trans	-80.5	-27.5	175.5	57.9	0	0	0	0	112.7	A436 C437 S443 A671	A436-T439 PolarHBondContact O-N 3.12Å; A436-T439 PolarHBondContact O-OG1 2.99Å; C437-T439 VanDerWaalsContact C-N 3.34Å; C437-T439 PolarHBondContact O-N 2.81Å; T439-S443 WeakPolarHBondContact O-CB 3.43Å; T439-S443 PolarHBondContact O-N 3.29Å; T439-A671 VanDerWaalsContact C-CB 3.49Å; T439-A671 WeakPolarHBondContact O-CB 3.47Å
440	A	84.4	Confident	86	Confident	9 Å²	9	36.6 Å²	36.6	7%	0.074	21%	0.212	C	C	.	.	H	α-helix	trans	-66.5	-50.9	172.5	0	0	0	0	0	111.4	I411 A436 C437 A442 S443 H444 A671	I411-A440 HydrophobicContact CB-CB 4.29Å; I411-A440 HydrophobicContact CD1-CB 3.84Å; I411-A440 HydrophobicContact CG2-CB 3.91Å; A436-A440 PolarHBondContact O-N 2.9Å; C437-A440 PolarHBondContact O-N 2.97Å; A440-A442 PolarHBondContact O-N 3.47Å; A440-S443 PolarHBondContact O-N 3.03Å; A440-H444 PolarHBondContact O-N 3.32Å; A440-H444 VanDerWaalsContact O-N 3.15Å; A440-A671 HydrophobicContact CB-CB 4.4Å
441	R	87.6	Confident	86.2	Confident	71 Å²	71	36.1 Å²	36.1	27%	0.268	21%	0.211	S	C	.	.	H	α-helix	trans	-56.1	-47.5	172.9	-73.4	177	166.2	-115.7	-10.3	112	V402 D403 M409 C437 S443 H444	V402-R441 HydrophobicContact CG1-CB 3.79Å; V402-R441 HydrophobicContact CG1-CG 3.84Å; D403-R441 IonicContact OD1-CZ 3.82Å; D403-R441 IonicContact OD1-NH1 3.97Å; D403-R441 PolarHBondContact OD1-NH1 2.84Å; D403-R441 IonicContact OD1-NH2 2.67Å; D403-R441 PolarHBondContact OD1-NH2 3.24Å; D403-R441 IonicContact OD2-NH1 3.83Å; M409-R441 PolarHBondContact SD-NH2 3.21Å; C437-R441 WeakPolarHBondContact O-CG 3.48Å; C437-R441 PolarHBondContact O-N 2.77Å; R441-S443 VanDerWaalsContact C-N 3.32Å; R441-S443 PolarHBondContact O-N 2.89Å; R441-H444 PolarHBondContact O-N 2.64Å
442	A	84.5	Confident	86.5	Confident	26 Å²	26	34.5 Å²	34.5	22%	0.215	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-35.1	177.6	0	0	0	0	0	113.2	G438 A440 L445 F446 M675	G438-A442 VanDerWaalsContact O-CB 3.26Å; G438-A442 WeakPolarHBondContact O-CB 3.39Å; G438-A442 PolarHBondContact O-N 3.37Å; G438-A442 VanDerWaalsContact O-N 3.12Å; A440-A442 PolarHBondContact O-N 3.47Å; A442-L445 WeakPolarHBondContact O-CB 3.31Å; A442-L445 PolarHBondContact O-N 3.13Å; A442-F446 VanDerWaalsContact O-CD2 3.3Å; A442-F446 WeakPolarHBondContact O-CD2 3.15Å; A442-M675 HydrophobicContact CB-CE 4.05Å; A442-M675 HydrophobicContact CB-SD 4.15Å
443	S	84.3	Confident	86.7	Confident	5 Å²	5	36.6 Å²	36.6	4%	0.035	22%	0.216	C	C	.	.	H	α-helix	trans	-68.2	-37.6	177.8	-159.4	0	0	0	0	111.8	T439 A440 R441 L445 F446 D447 A671	T439-S443 WeakPolarHBondContact O-CB 3.43Å; T439-S443 PolarHBondContact O-N 3.29Å; A440-S443 PolarHBondContact O-N 3.03Å; R441-S443 VanDerWaalsContact C-N 3.32Å; R441-S443 PolarHBondContact O-N 2.89Å; S443-L445 PolarHBondContact O-N 3.05Å; S443-F446 PolarHBondContact O-N 2.97Å; S443-D447 WeakPolarHBondContact O-CB 3.37Å; S443-D447 PolarHBondContact O-N 3.37Å; S443-A671 WeakPolarHBondContact CB-O 3.1Å; S443-A671 PolarHBondContact OG-O 3.02Å
444	H	86.7	Confident	87	Confident	11 Å²	11	36.5 Å²	36.5	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-59.9	-30	177.1	-170.6	-110.2	0	0	0	113.7	T401 N405 A440 R441 F446 D447	T401-H444 PolarHBondContact O-CE1 3.31Å; T401-H444 VanDerWaalsContact O-CE1 3.24Å; T401-H444 PolarHBondContact O-ND1 2.83Å; T401-H444 PolarHBondContact OG1-CE1 3.29Å; N405-H444 VanDerWaalsContact CG-CD2 3.44Å; N405-H444 PolarHBondContact ND2-CD2 3.02Å; A440-H444 PolarHBondContact O-N 3.32Å; A440-H444 VanDerWaalsContact O-N 3.15Å; R441-H444 PolarHBondContact O-N 2.64Å; H444-F446 PolarHBondContact O-N 2.9Å; H444-F446 VanDerWaalsContact O-N 3.17Å; H444-D447 PolarHBondContact O-N 3.39Å
445	L	84.4	Confident	87.3	Confident	34 Å²	34	32.8 Å²	32.8	18%	0.178	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.7	174.2	-62.9	173.8	0	0	0	113	F395 C399 V402 A442 S443 N448	F395-L445 HydrophobicContact CE2-CB 4.1Å; F395-L445 HydrophobicContact CE2-CD1 4.48Å; C399-L445 HydrophobicContact CB-CD2 4.26Å; V402-L445 HydrophobicContact CG2-CD2 3.43Å; V402-L445 VanDerWaalsContact CG2-CD2 3.43Å; V402-L445 HydrophobicContact CG2-CG 4.2Å; A442-L445 WeakPolarHBondContact O-CB 3.31Å; A442-L445 PolarHBondContact O-N 3.13Å; S443-L445 PolarHBondContact O-N 3.05Å; L445-N448 PolarHBondContact O-ND2 3.29Å
446	F	81.7	Confident	87.8	Confident	20 Å²	20	29.5 Å²	29.5	9%	0.088	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-19.8	-175.9	-53.6	-82.5	0	0	0	113.2	F395 A442 S443 H444 T451 L674 M675 F762	F395-F446 HydrophobicContact CD2-CE1 4.03Å; F395-F446 HydrophobicContact CD2-CZ 4.47Å; F395-F446 HydrophobicContact CE2-CD1 4.47Å; F395-F446 AromaticContact CE2-CE1 3.71Å; F395-F446 HydrophobicContact CE2-CE1 3.71Å; F395-F446 HydrophobicContact CE2-CE2 4.46Å; F395-F446 AromaticContact CE2-CZ 3.71Å; F395-F446 HydrophobicContact CE2-CZ 3.71Å; A442-F446 VanDerWaalsContact O-CD2 3.3Å; A442-F446 WeakPolarHBondContact O-CD2 3.15Å; S443-F446 PolarHBondContact O-N 2.97Å; H444-F446 PolarHBondContact O-N 2.9Å; H444-F446 VanDerWaalsContact O-N 3.17Å; F446-T451 VanDerWaalsContact O-CG2 3.27Å; F446-T451 WeakPolarHBondContact O-CG2 3.25Å; F446-L674 HydrophobicContact CB-CD2 3.57Å; F446-L674 HydrophobicContact CG-CD2 4.46Å; F446-M675 HydrophobicContact CD2-CE 4.46Å; F446-M675 HydrophobicContact CD2-SD 3.46Å; F446-M675 WeakPolarHBondContact CD2-SD 3.48Å; F446-M675 HydrophobicContact CE2-CE 3.95Å; F446-M675 HydrophobicContact CE2-SD 3.55Å; F446-M675 VanDerWaalsContact CE2-SD 3.55Å; F446-F762 HydrophobicContact CD1-CD2 4.05Å; F446-F762 AromaticContact CE1-CD2 3.78Å; F446-F762 HydrophobicContact CE1-CD2 3.78Å; F446-F762 AromaticContact CE1-CE2 3.9Å; F446-F762 HydrophobicContact CE1-CE2 3.9Å
447	D	84.4	Confident	88.3	Confident	8 Å²	8	31.7 Å²	31.7	4%	0.043	18%	0.184	C	C	.	.	S	Bend	trans	-111.9	54.2	-179.3	-167.6	36.9	0	0	0	111.4	S443 H444 L674 S825 D826 R830	S443-D447 WeakPolarHBondContact O-CB 3.37Å; S443-D447 PolarHBondContact O-N 3.37Å; H444-D447 PolarHBondContact O-N 3.39Å; D447-L674 HydrophobicContact CB-CD1 4.38Å; D447-S825 VanDerWaalsContact OD1-CB 3.23Å; D447-S825 WeakPolarHBondContact OD1-CB 3.35Å; D447-S825 PolarHBondContact OD1-OG 3.23Å; D447-D826 PolarHBondContact OD2-N 2.82Å; D447-R830 PolarHBondContact O-NH1 3.12Å; D447-R830 IonicContact OD2-CZ 3.03Å; D447-R830 IonicContact OD2-NH1 2.71Å; D447-R830 IonicContact OD2-NH2 2.68Å; D447-R830 PolarHBondContact OD2-NH2 3.46Å
448	N	86.9	Confident	88.7	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.011	18%	0.176	C	C	.	.	S	Bend	trans	-108.1	157.4	177.5	72.2	63.1	0	0	0	111.6	L445 A450 T451	L445-N448 PolarHBondContact O-ND2 3.29Å; N448-A450 PolarHBondContact O-N 2.76Å; N448-A450 VanDerWaalsContact O-N 3.1Å; N448-A450 WeakPolarHBondContact OD1-CA 3.41Å; N448-A450 VanDerWaalsContact OD1-CB 3.31Å; N448-A450 WeakPolarHBondContact OD1-CB 3.27Å; N448-A450 PolarHBondContact OD1-N 2.95Å; N448-T451 PolarHBondContact O-N 3.2Å; N448-T451 VanDerWaalsContact O-N 3.07Å; N448-T451 PolarHBondContact O-OG1 2.84Å; N448-T451 PolarHBondContact OD1-N 2.67Å
449	P	88.4	Confident	89.1	Confident	75 Å²	75	28.7 Å²	28.7	49%	0.487	16%	0.156	S	C	.	.	H	α-helix	trans	-59.3	-25.1	-177	-26.5	36	0	0	0	115.3	T451 V452	P449-T451 VanDerWaalsContact C-N 3.3Å; P449-T451 PolarHBondContact O-N 2.94Å; P449-V452 PolarHBondContact O-N 3.23Å
450	A	91.9	Very high	89.7	Confident	24 Å²	24	27.9 Å²	27.9	20%	0.198	15%	0.149	C	C	.	.	H	α-helix	trans	-75.1	-15.6	179.2	0	0	0	0	0	113.1	V394 Y397 N448 V452 F453 F454	V394-A450 HydrophobicContact CG1-CB 4.13Å; V394-A450 HydrophobicContact CG2-CB 4.34Å; Y397-A450 HydrophobicContact CD1-CB 3.9Å; Y397-A450 HydrophobicContact CE1-CB 4.18Å; N448-A450 PolarHBondContact O-N 2.76Å; N448-A450 VanDerWaalsContact O-N 3.1Å; N448-A450 WeakPolarHBondContact OD1-CA 3.41Å; N448-A450 VanDerWaalsContact OD1-CB 3.31Å; N448-A450 WeakPolarHBondContact OD1-CB 3.27Å; N448-A450 PolarHBondContact OD1-N 2.95Å; A450-V452 VanDerWaalsContact C-N 3.33Å; A450-F453 PolarHBondContact O-N 2.93Å; A450-F454 WeakPolarHBondContact O-CB 3.29Å; A450-F454 PolarHBondContact O-N 3.11Å
451	T	90.6	Very high	90.3	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.031	15%	0.147	C	C	.	.	H	α-helix	trans	-73	-25.3	172.7	70.8	0	0	0	0	112.8	V394 F446 N448 P449 F454 S455 P763	V394-T451 HydrophobicContact CG1-CG2 3.83Å; F446-T451 VanDerWaalsContact O-CG2 3.27Å; F446-T451 WeakPolarHBondContact O-CG2 3.25Å; N448-T451 PolarHBondContact O-N 3.2Å; N448-T451 VanDerWaalsContact O-N 3.07Å; N448-T451 PolarHBondContact O-OG1 2.84Å; N448-T451 PolarHBondContact OD1-N 2.67Å; P449-T451 VanDerWaalsContact C-N 3.3Å; P449-T451 PolarHBondContact O-N 2.94Å; T451-F454 PolarHBondContact O-N 3.03Å; T451-S455 PolarHBondContact O-N 3.34Å; T451-P763 HydrophobicContact CG2-CG 3.59Å
452	V	92.2	Very high	90.6	Very high	20 Å²	20	24.5 Å²	24.5	12%	0.121	14%	0.135	C	C	.	.	H	α-helix	trans	-66.3	-46	170.7	-176.5	0	0	0	0	110.2	P449 A450 F454 S455 I456 I821 F827 F906 F910	P449-V452 PolarHBondContact O-N 3.23Å; A450-V452 VanDerWaalsContact C-N 3.33Å; V452-F454 VanDerWaalsContact C-N 3.34Å; V452-F454 PolarHBondContact O-N 3.08Å; V452-S455 PolarHBondContact O-N 3.21Å; V452-I456 PolarHBondContact O-N 3.45Å; V452-I821 HydrophobicContact CG1-CD1 4.43Å; V452-I821 HydrophobicContact CG2-CG2 4.02Å; V452-F827 HydrophobicContact CG2-CD1 4.27Å; V452-F827 HydrophobicContact CG2-CD2 4.22Å; V452-F827 HydrophobicContact CG2-CE1 4.23Å; V452-F827 HydrophobicContact CG2-CE2 4.17Å; V452-F827 HydrophobicContact CG2-CG 4.28Å; V452-F827 HydrophobicContact CG2-CZ 4.18Å; V452-F906 HydrophobicContact CG1-CZ 4.46Å; V452-F910 HydrophobicContact CG1-CE2 4.3Å
453	F	93.3	Very high	91	Very high	128 Å²	128	24.3 Å²	24.3	56%	0.561	13%	0.132	S	C	*	.	H	α-helix	trans	-59	-44.4	170.4	167.8	-98.4	0	0	0	111.5	A450 S455 I456 F457	A450-F453 PolarHBondContact O-N 2.93Å; F453-S455 VanDerWaalsContact C-N 3.31Å; F453-S455 PolarHBondContact O-N 3.21Å; F453-I456 PolarHBondContact O-N 3.26Å; F453-I456 VanDerWaalsContact O-N 3.14Å; F453-F457 PolarHBondContact O-N 2.78Å
454	F	94.8	Very high	91.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-38.7	178	-168.2	-123.9	0	0	0	112.6	V390 G391 V394 A450 T451 V452 I456 F457 M458 V759 P763 P766	V390-F454 HydrophobicContact CB-CD2 4.37Å; V390-F454 HydrophobicContact CB-CE2 3.98Å; V390-F454 HydrophobicContact CG1-CD2 3.69Å; V390-F454 HydrophobicContact CG1-CE2 3.82Å; G391-F454 VanDerWaalsContact CA-CZ 3.46Å; V394-F454 HydrophobicContact CG1-CB 4.33Å; V394-F454 HydrophobicContact CG2-CB 4.2Å; V394-F454 HydrophobicContact CG2-CD2 4.37Å; V394-F454 HydrophobicContact CG2-CG 4.44Å; A450-F454 WeakPolarHBondContact O-CB 3.29Å; A450-F454 PolarHBondContact O-N 3.11Å; T451-F454 PolarHBondContact O-N 3.03Å; V452-F454 VanDerWaalsContact C-N 3.34Å; V452-F454 PolarHBondContact O-N 3.08Å; F454-I456 VanDerWaalsContact C-N 3.33Å; F454-I456 PolarHBondContact O-N 2.85Å; F454-F457 AromaticContact CD2-CD1 3.87Å; F454-F457 HydrophobicContact CD2-CD1 3.87Å; F454-F457 AromaticContact CE2-CD1 3.79Å; F454-F457 HydrophobicContact CE2-CD1 3.79Å; F454-F457 HydrophobicContact CE2-CE1 4.06Å; F454-F457 PolarHBondContact O-N 3.26Å; F454-M458 HydrophobicContact CD1-CG 4.1Å; F454-M458 HydrophobicContact CD2-CG 4.15Å; F454-M458 HydrophobicContact CE1-CG 3.76Å; F454-M458 HydrophobicContact CE1-SD 4.32Å; F454-M458 HydrophobicContact CE2-CG 3.83Å; F454-M458 HydrophobicContact CE2-SD 3.98Å; F454-M458 HydrophobicContact CG-CG 4.29Å; F454-M458 HydrophobicContact CZ-CG 3.63Å; F454-M458 HydrophobicContact CZ-SD 3.7Å; F454-M458 WeakPolarHBondContact O-CB 3.29Å; F454-M458 VanDerWaalsContact O-CG 3.27Å; F454-M458 WeakPolarHBondContact O-CG 3.23Å; F454-M458 PolarHBondContact O-N 2.61Å; F454-V759 HydrophobicContact CD1-CG2 4.1Å; F454-V759 HydrophobicContact CE1-CG2 3.6Å; F454-V759 HydrophobicContact CZ-CG2 4.48Å; F454-P763 HydrophobicContact CD1-CB 3.89Å; F454-P763 HydrophobicContact CD1-CG 4.41Å; F454-P763 HydrophobicContact CE1-CB 3.96Å; F454-P763 WeakPolarHBondContact CE1-O 3.5Å; F454-P766 HydrophobicContact CZ-CG 4.15Å
455	S	93.9	Very high	91.9	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.014	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-35	176	-172.8	0	0	0	0	113	T451 V452 F453 A459 N817	T451-S455 PolarHBondContact O-N 3.34Å; V452-S455 PolarHBondContact O-N 3.21Å; F453-S455 VanDerWaalsContact C-N 3.31Å; F453-S455 PolarHBondContact O-N 3.21Å; S455-A459 PolarHBondContact O-N 2.96Å; S455-N817 VanDerWaalsContact OG-CB 3.29Å; S455-N817 WeakPolarHBondContact OG-CB 3.39Å
456	I	94.4	Very high	92.3	Very high	34 Å²	34	25.8 Å²	25.8	17%	0.174	14%	0.139	C	C	.	.	H	α-helix	trans	-69.9	-48.4	174.2	-62.3	166.4	0	0	0	109.4	V452 F453 F454 M458 A459 L460 F910 M913 V914	V452-I456 PolarHBondContact O-N 3.45Å; F453-I456 PolarHBondContact O-N 3.26Å; F453-I456 VanDerWaalsContact O-N 3.14Å; F454-I456 VanDerWaalsContact C-N 3.33Å; F454-I456 PolarHBondContact O-N 2.85Å; I456-M458 VanDerWaalsContact C-N 3.29Å; I456-M458 PolarHBondContact O-N 2.84Å; I456-A459 PolarHBondContact O-N 2.99Å; I456-L460 HydrophobicContact CG2-CD1 4.32Å; I456-L460 WeakPolarHBondContact O-CG 3.32Å; I456-L460 PolarHBondContact O-N 3.06Å; I456-L460 VanDerWaalsContact O-N 3.12Å; I456-F910 HydrophobicContact CD1-CE2 4.18Å; I456-F910 HydrophobicContact CG1-CE2 3.7Å; I456-F910 HydrophobicContact CG1-CZ 4.01Å; I456-M913 HydrophobicContact CD1-CE 3.76Å; I456-M913 HydrophobicContact CG1-CE 4.36Å; I456-V914 HydrophobicContact CG1-CG2 3.98Å; I456-V914 HydrophobicContact CG2-CG2 4.4Å
457	F	95.6	Very high	92.8	Very high	54 Å²	54	25 Å²	25	24%	0.237	14%	0.135	C	C	.	.	H	α-helix	trans	-54.8	-43.7	175.2	167.4	-92.5	0	0	0	112.1	V390 F453 F454 A459 L460 W461	V390-F457 HydrophobicContact CB-CD1 4.42Å; V390-F457 HydrophobicContact CB-CE1 4.01Å; V390-F457 HydrophobicContact CB-CZ 4.23Å; V390-F457 HydrophobicContact CG1-CD1 4.17Å; V390-F457 HydrophobicContact CG1-CE1 4.25Å; V390-F457 HydrophobicContact CG1-CG 4.49Å; V390-F457 HydrophobicContact CG2-CE1 4.17Å; V390-F457 HydrophobicContact CG2-CE2 4.24Å; V390-F457 HydrophobicContact CG2-CZ 3.86Å; F453-F457 PolarHBondContact O-N 2.78Å; F454-F457 AromaticContact CD2-CD1 3.87Å; F454-F457 HydrophobicContact CD2-CD1 3.87Å; F454-F457 AromaticContact CE2-CD1 3.79Å; F454-F457 HydrophobicContact CE2-CD1 3.79Å; F454-F457 HydrophobicContact CE2-CE1 4.06Å; F454-F457 PolarHBondContact O-N 3.26Å; F457-A459 PolarHBondContact O-N 2.86Å; F457-L460 PolarHBondContact O-N 3.43Å; F457-W461 HydrophobicContact CE1-CB 4.44Å; F457-W461 VanDerWaalsContact O-CB 3.26Å; F457-W461 WeakPolarHBondContact O-CB 3.07Å; F457-W461 PolarHBondContact O-N 3.23Å
458	M	95.3	Very high	93.1	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-70.1	-30	-179.1	-75.9	-62.8	-56.1	0	0	113.6	A387 F454 I456 W461 A462 V755 V759 P766	A387-M458 HydrophobicContact CB-CE 4.29Å; A387-M458 HydrophobicContact CB-SD 3.76Å; F454-M458 HydrophobicContact CD1-CG 4.1Å; F454-M458 HydrophobicContact CD2-CG 4.15Å; F454-M458 HydrophobicContact CE1-CG 3.76Å; F454-M458 HydrophobicContact CE1-SD 4.32Å; F454-M458 HydrophobicContact CE2-CG 3.83Å; F454-M458 HydrophobicContact CE2-SD 3.98Å; F454-M458 HydrophobicContact CG-CG 4.29Å; F454-M458 HydrophobicContact CZ-CG 3.63Å; F454-M458 HydrophobicContact CZ-SD 3.7Å; F454-M458 WeakPolarHBondContact O-CB 3.29Å; F454-M458 VanDerWaalsContact O-CG 3.27Å; F454-M458 WeakPolarHBondContact O-CG 3.23Å; F454-M458 PolarHBondContact O-N 2.61Å; I456-M458 VanDerWaalsContact C-N 3.29Å; I456-M458 PolarHBondContact O-N 2.84Å; M458-W461 HydrophobicContact CE-CD2 4.08Å; M458-W461 HydrophobicContact CE-CE3 3.58Å; M458-W461 HydrophobicContact CE-CZ3 3.92Å; M458-W461 HydrophobicContact SD-CD2 4.45Å; M458-W461 HydrophobicContact SD-CE3 4.45Å; M458-W461 HydrophobicContact SD-CG 4.49Å; M458-A462 PolarHBondContact O-N 3.38Å; M458-V755 HydrophobicContact CE-CG1 4.03Å; M458-V759 HydrophobicContact CB-CG1 3.77Å; M458-V759 HydrophobicContact CB-CG2 4.37Å; M458-V759 HydrophobicContact CE-CG2 4.26Å; M458-V759 HydrophobicContact CG-CG1 4.08Å; M458-V759 HydrophobicContact CG-CG2 3.81Å; M458-P766 HydrophobicContact CE-CG 3.99Å; M458-P766 HydrophobicContact SD-CG 4.18Å
459	A	94.6	Very high	93.4	Very high	16 Å²	16	27.9 Å²	27.9	13%	0.132	15%	0.148	C	C	.	.	H	α-helix	trans	-67.7	-45.9	170.9	0	0	0	0	0	111.5	S455 I456 F457 W461 A462 V463 V814 V914	S455-A459 PolarHBondContact O-N 2.96Å; I456-A459 PolarHBondContact O-N 2.99Å; F457-A459 PolarHBondContact O-N 2.86Å; A459-W461 VanDerWaalsContact C-N 3.34Å; A459-W461 PolarHBondContact O-N 2.92Å; A459-A462 WeakPolarHBondContact O-CB 3.47Å; A459-A462 PolarHBondContact O-N 3.26Å; A459-V463 PolarHBondContact O-N 3.13Å; A459-V814 HydrophobicContact CB-CG2 4.05Å; A459-V914 HydrophobicContact CB-CG1 3.39Å
460	L	94.1	Very high	93.6	Very high	36 Å²	36	25.9 Å²	25.9	19%	0.188	13%	0.132	C	C	.	.	H	α-helix	trans	-64.1	-40.2	175.1	-60.3	174.7	0	0	0	111.6	I456 F457 A462 V463 L464 M917 V921	I456-L460 HydrophobicContact CG2-CD1 4.32Å; I456-L460 WeakPolarHBondContact O-CG 3.32Å; I456-L460 PolarHBondContact O-N 3.06Å; I456-L460 VanDerWaalsContact O-N 3.12Å; F457-L460 PolarHBondContact O-N 3.43Å; L460-A462 VanDerWaalsContact C-N 3.3Å; L460-A462 PolarHBondContact O-N 3.04Å; L460-V463 PolarHBondContact O-N 3.09Å; L460-L464 VanDerWaalsContact O-CG 3.3Å; L460-L464 WeakPolarHBondContact O-CG 3.5Å; L460-L464 PolarHBondContact O-N 2.74Å; L460-M917 HydrophobicContact CD1-CE 4.06Å; L460-M917 HydrophobicContact CD2-CB 3.82Å; L460-V921 HydrophobicContact CD2-CG2 4.36Å
461	W	96.1	Very high	93.6	Very high	6 Å²	6	29.2 Å²	29.2	2%	0.023	14%	0.14	C	C	.	.	H	α-helix	trans	-58.2	-40.2	174	172.1	89.7	0	0	0	112.3	Y380 M383 L384 A387 F457 M458 A459 V463 L464 F465 F752 T756	Y380-W461 HydrophobicContact CE2-CH2 4.27Å; M383-W461 HydrophobicContact CB-CZ2 4.1Å; M383-W461 PolarHBondContact O-NE1 3.48Å; L384-W461 HydrophobicContact CD2-CH2 3.95Å; L384-W461 HydrophobicContact CD2-CZ2 3.93Å; L384-W461 HydrophobicContact CG-CZ2 4.26Å; A387-W461 HydrophobicContact CB-CD2 4.34Å; A387-W461 HydrophobicContact CB-CG 4.44Å; A387-W461 HydrophobicContact CB-CZ2 4.42Å; F457-W461 HydrophobicContact CE1-CB 4.44Å; F457-W461 VanDerWaalsContact O-CB 3.26Å; F457-W461 WeakPolarHBondContact O-CB 3.07Å; F457-W461 PolarHBondContact O-N 3.23Å; M458-W461 HydrophobicContact CE-CD2 4.08Å; M458-W461 HydrophobicContact CE-CE3 3.58Å; M458-W461 HydrophobicContact CE-CZ3 3.92Å; M458-W461 HydrophobicContact SD-CD2 4.45Å; M458-W461 HydrophobicContact SD-CE3 4.45Å; M458-W461 HydrophobicContact SD-CG 4.49Å; A459-W461 VanDerWaalsContact C-N 3.34Å; A459-W461 PolarHBondContact O-N 2.92Å; W461-V463 VanDerWaalsContact C-N 3.35Å; W461-V463 PolarHBondContact O-N 3.34Å; W461-L464 PolarHBondContact O-N 2.66Å; W461-F465 WeakPolarHBondContact O-CB 3.48Å; W461-F465 PolarHBondContact O-N 2.93Å; W461-F752 HydrophobicContact CH2-CE2 4.19Å; W461-F752 AromaticContact CZ3-CE2 3.9Å; W461-F752 HydrophobicContact CZ3-CE2 3.9Å; W461-T756 HydrophobicContact CZ3-CG2 4.25Å
462	A	94.9	Very high	93.5	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.033	15%	0.154	C	C	.	.	H	α-helix	trans	-63.4	-40.3	177.7	0	0	0	0	0	111.8	M458 A459 L460 M466 F752	M458-A462 PolarHBondContact O-N 3.38Å; A459-A462 WeakPolarHBondContact O-CB 3.47Å; A459-A462 PolarHBondContact O-N 3.26Å; L460-A462 VanDerWaalsContact C-N 3.3Å; L460-A462 PolarHBondContact O-N 3.04Å; A462-M466 VanDerWaalsContact O-CG 3.25Å; A462-M466 WeakPolarHBondContact O-CG 3.29Å; A462-M466 PolarHBondContact O-N 3.4Å; A462-M466 VanDerWaalsContact O-N 3.14Å; A462-F752 HydrophobicContact CB-CZ 4.29Å
463	V	93.5	Very high	93.5	Very high	22 Å²	22	33.6 Å²	33.6	13%	0.133	16%	0.155	C	C	.	.	H	α-helix	trans	-64.8	-50.6	171.7	-176.2	0	0	0	0	110.6	A459 L460 W461 F465 M466 E467 V921 D922	A459-V463 PolarHBondContact O-N 3.13Å; L460-V463 PolarHBondContact O-N 3.09Å; W461-V463 VanDerWaalsContact C-N 3.35Å; W461-V463 PolarHBondContact O-N 3.34Å; V463-F465 VanDerWaalsContact C-N 3.25Å; V463-F465 PolarHBondContact O-N 2.98Å; V463-M466 PolarHBondContact O-N 3.13Å; V463-E467 HydrophobicContact CG1-CG 4.05Å; V463-E467 WeakPolarHBondContact O-CG 3.35Å; V463-E467 PolarHBondContact O-N 3.02Å; V463-V921 HydrophobicContact CB-CG1 4.37Å; V463-V921 HydrophobicContact CG1-CB 4.09Å; V463-V921 HydrophobicContact CG1-CG1 3.81Å; V463-D922 HydrophobicContact CG1-CB 4.4Å
464	L	93.6	Very high	93.2	Very high	74 Å²	74	30 Å²	30	39%	0.387	14%	0.14	S	C	.	.	H	α-helix	trans	-57.2	-37	179.4	-70.3	170.4	0	0	0	112.7	M383 L460 W461 H468 V921 I925	M383-L464 HydrophobicContact CE-CB 4.19Å; L460-L464 VanDerWaalsContact O-CG 3.3Å; L460-L464 WeakPolarHBondContact O-CG 3.5Å; L460-L464 PolarHBondContact O-N 2.74Å; W461-L464 PolarHBondContact O-N 2.66Å; L464-H468 WeakPolarHBondContact O-CB 3Å; L464-H468 PolarHBondContact O-N 3.19Å; L464-V921 HydrophobicContact CD2-CG1 3.69Å; L464-V921 HydrophobicContact CG-CG1 4.15Å; L464-I925 HydrophobicContact CD2-CD1 3.6Å
465	F	95	Very high	92.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-47.1	172.6	161.2	-114.1	0	0	0	111.8	W376 V379 Y380 M383 W461 V463 H468 W469 F752	W376-F465 HydrophobicContact CZ2-CZ 4.14Å; W376-F465 AromaticContact NE1-CZ 3.79Å; V379-F465 HydrophobicContact CG1-CD2 4.32Å; V379-F465 HydrophobicContact CG1-CE2 4.19Å; Y380-F465 HydrophobicContact CD2-CE2 4.21Å; Y380-F465 HydrophobicContact CD2-CZ 4.09Å; Y380-F465 HydrophobicContact CG-CE2 4.37Å; Y380-F465 HydrophobicContact CG-CZ 4.27Å; M383-F465 HydrophobicContact CB-CB 4.41Å; M383-F465 HydrophobicContact CB-CD2 4.09Å; M383-F465 HydrophobicContact CE-CB 4.34Å; M383-F465 HydrophobicContact CG-CB 4.42Å; M383-F465 HydrophobicContact CG-CD2 4.07Å; W461-F465 WeakPolarHBondContact O-CB 3.48Å; W461-F465 PolarHBondContact O-N 2.93Å; V463-F465 VanDerWaalsContact C-N 3.25Å; V463-F465 PolarHBondContact O-N 2.98Å; F465-H468 PolarHBondContact O-N 2.83Å; F465-W469 WeakPolarHBondContact O-CB 3.45Å; F465-W469 PolarHBondContact O-N 3.29Å; F465-F752 HydrophobicContact CD1-CD2 4.46Å; F465-F752 AromaticContact CD1-CE2 3.65Å; F465-F752 HydrophobicContact CD1-CE2 3.65Å; F465-F752 HydrophobicContact CD1-CZ 4.31Å; F465-F752 HydrophobicContact CE1-CD2 4.11Å; F465-F752 AromaticContact CE1-CE2 3.68Å; F465-F752 HydrophobicContact CE1-CE2 3.68Å; F465-F752 HydrophobicContact CE1-CZ 4.41Å
466	M	92.6	Very high	92.6	Very high	6 Å²	6	35 Å²	35	3%	0.03	16%	0.16	C	C	.	.	H	α-helix	trans	-64.4	-43.1	179.5	-69.2	-69.1	-81.1	0	0	111.8	A462 V463 W469 K470 Y803 L806 R807	A462-M466 VanDerWaalsContact O-CG 3.25Å; A462-M466 WeakPolarHBondContact O-CG 3.29Å; A462-M466 PolarHBondContact O-N 3.4Å; A462-M466 VanDerWaalsContact O-N 3.14Å; V463-M466 PolarHBondContact O-N 3.13Å; M466-W469 CarbonylContact O-C 3.51Å; M466-W469 WeakPolarHBondContact O-CB 3.2Å; M466-W469 PolarHBondContact O-N 2.88Å; M466-K470 WeakPolarHBondContact O-CG 3.45Å; M466-K470 PolarHBondContact O-N 3.01Å; M466-Y803 HydrophobicContact CE-CD2 3.53Å; M466-Y803 HydrophobicContact CE-CE1 4.49Å; M466-Y803 HydrophobicContact CE-CE2 3.29Å; M466-Y803 HydrophobicContact CE-CG 4.22Å; M466-Y803 WeakPolarHBondContact CE-O 3.12Å; M466-Y803 HydrophobicContact SD-CD2 4.48Å; M466-Y803 HydrophobicContact SD-CE2 4.29Å; M466-L806 HydrophobicContact CE-CB 3.57Å; M466-L806 HydrophobicContact SD-CB 3.7Å; M466-L806 HydrophobicContact SD-CD1 4.15Å; M466-L806 HydrophobicContact SD-CG 4.49Å; M466-R807 HydrophobicContact CE-CB 3.98Å
467	E	91.8	Very high	92.2	Very high	3 Å²	3	34 Å²	34	1%	0.014	15%	0.154	C	C	.	.	H	α-helix	trans	-70.8	-38.4	178.2	-62.9	-42.1	114.4	0	0	113	V463 W469 K470 R471 I925	V463-E467 HydrophobicContact CG1-CG 4.05Å; V463-E467 WeakPolarHBondContact O-CG 3.35Å; V463-E467 PolarHBondContact O-N 3.02Å; E467-W469 VanDerWaalsContact C-N 3.29Å; E467-W469 PolarHBondContact O-N 3.36Å; E467-K470 VanDerWaalsContact CD-CE 3.47Å; E467-K470 PolarHBondContact O-N 2.79Å; E467-K470 WeakPolarHBondContact OE1-CE 3.45Å; E467-K470 IonicContact OE1-NZ 3.87Å; E467-K470 PolarHBondContact OE1-NZ 2.97Å; E467-K470 VanDerWaalsContact OE2-CD 3.29Å; E467-K470 WeakPolarHBondContact OE2-CD 3.42Å; E467-K470 WeakPolarHBondContact OE2-CE 3.47Å; E467-K470 IonicContact OE2-NZ 2.67Å; E467-K470 PolarHBondContact OE2-NZ 3.48Å; E467-R471 WeakPolarHBondContact O-CB 3.24Å; E467-R471 WeakPolarHBondContact O-CG 3.46Å; E467-R471 PolarHBondContact O-N 3.46Å; E467-R471 VanDerWaalsContact O-N 3.11Å; E467-I925 HydrophobicContact CB-CB 4.36Å; E467-I925 HydrophobicContact CB-CD1 4.29Å; E467-I925 HydrophobicContact CB-CG2 3.99Å
468	H	91.7	Very high	91.7	Very high	70 Å²	70	31.7 Å²	31.7	32%	0.324	14%	0.144	S	C	.	.	H	α-helix	trans	-64.2	-37.1	170.6	-173.6	72.1	0	0	0	111.3	L464 F465 R472	L464-H468 WeakPolarHBondContact O-CB 3Å; L464-H468 PolarHBondContact O-N 3.19Å; F465-H468 PolarHBondContact O-N 2.83Å; H468-R472 VanDerWaalsContact O-CB 3.3Å; H468-R472 WeakPolarHBondContact O-CB 3.4Å; H468-R472 PolarHBondContact O-N 3.04Å
469	W	94	Very high	91.1	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	17%	0.167	C	C	.	.	H	α-helix	trans	-65.1	-50	172.5	177.2	-109	0	0	0	112.5	L372 A375 W376 V379 F465 M466 E467 R471 R472 Q473 L476 I799	L372-W469 HydrophobicContact CD1-CH2 3.73Å; L372-W469 HydrophobicContact CD1-CZ2 3.79Å; L372-W469 HydrophobicContact CG-CH2 4.28Å; L372-W469 HydrophobicContact CG-CZ2 4.14Å; A375-W469 HydrophobicContact CB-CH2 4.31Å; A375-W469 HydrophobicContact CB-CZ3 4.4Å; W376-W469 HydrophobicContact CB-CE3 4.29Å; W376-W469 HydrophobicContact CB-CH2 3.68Å; W376-W469 HydrophobicContact CB-CZ2 3.94Å; W376-W469 HydrophobicContact CB-CZ3 3.88Å; W376-W469 AromaticContact CD1-CD2 3.66Å; W376-W469 AromaticContact CD1-CE2 3.7Å; W376-W469 AromaticContact CD1-CG 4Å; W376-W469 AromaticContact CD1-NE1 3.99Å; W376-W469 HydrophobicContact CG-CD2 4.48Å; W376-W469 HydrophobicContact CG-CZ2 4.47Å; V379-W469 HydrophobicContact CB-CE3 4.03Å; V379-W469 HydrophobicContact CB-CZ3 4.42Å; V379-W469 HydrophobicContact CG1-CE3 4.19Å; V379-W469 HydrophobicContact CG2-CE3 3.99Å; V379-W469 HydrophobicContact CG2-CZ3 4.09Å; F465-W469 WeakPolarHBondContact O-CB 3.45Å; F465-W469 PolarHBondContact O-N 3.29Å; M466-W469 CarbonylContact O-C 3.51Å; M466-W469 WeakPolarHBondContact O-CB 3.2Å; M466-W469 PolarHBondContact O-N 2.88Å; E467-W469 VanDerWaalsContact C-N 3.29Å; E467-W469 PolarHBondContact O-N 3.36Å; W469-R471 VanDerWaalsContact C-N 3.28Å; W469-R471 PolarHBondContact O-N 3Å; W469-R472 HydrophobicContact CE3-CB 4.36Å; W469-R472 HydrophobicContact CE3-CG 4.48Å; W469-R472 HydrophobicContact CZ3-CG 4.25Å; W469-R472 CarbonylContact O-C 3.56Å; W469-R472 PolarHBondContact O-N 2.95Å; W469-R472 VanDerWaalsContact O-N 3.1Å; W469-Q473 HydrophobicContact CD2-CB 4.5Å; W469-Q473 HydrophobicContact CZ2-CB 3.95Å; W469-Q473 HydrophobicContact CZ2-CG 4.08Å; W469-Q473 WeakPolarHBondContact O-CB 3.36Å; W469-Q473 PolarHBondContact O-N 3.45Å; W469-L476 HydrophobicContact CH2-CD1 4.4Å; W469-I799 HydrophobicContact CZ2-CG2 3.82Å
470	K	91.9	Very high	90.6	Very high	33 Å²	33	35.1 Å²	35.1	14%	0.143	16%	0.162	C	C	.	.	H	α-helix	trans	-49.4	-52	175.9	-68.9	-170.2	-160.3	154.3	0	110.7	M466 E467 R472 Q473 M474 Y803 D922 D927	M466-K470 WeakPolarHBondContact O-CG 3.45Å; M466-K470 PolarHBondContact O-N 3.01Å; E467-K470 VanDerWaalsContact CD-CE 3.47Å; E467-K470 PolarHBondContact O-N 2.79Å; E467-K470 WeakPolarHBondContact OE1-CE 3.45Å; E467-K470 IonicContact OE1-NZ 3.87Å; E467-K470 PolarHBondContact OE1-NZ 2.97Å; E467-K470 VanDerWaalsContact OE2-CD 3.29Å; E467-K470 WeakPolarHBondContact OE2-CD 3.42Å; E467-K470 WeakPolarHBondContact OE2-CE 3.47Å; E467-K470 IonicContact OE2-NZ 2.67Å; E467-K470 PolarHBondContact OE2-NZ 3.48Å; K470-R472 PolarHBondContact O-N 3.47Å; K470-Q473 WeakPolarHBondContact O-CB 3.45Å; K470-Q473 PolarHBondContact O-N 3.29Å; K470-M474 WeakPolarHBondContact O-CG 3.28Å; K470-M474 PolarHBondContact O-N 2.97Å; K470-Y803 WeakPolarHBondContact CE-OH 3.31Å; K470-Y803 HydrophobicContact CG-CE2 4.05Å; K470-D922 IonicContact NZ-OD1 3.51Å; K470-D922 PolarHBondContact NZ-OD1 2.93Å; K470-D927 WeakPolarHBondContact CD-OD1 3.05Å; K470-D927 VanDerWaalsContact CE-OD1 3.27Å; K470-D927 WeakPolarHBondContact CE-OD1 3.3Å; K470-D927 IonicContact NZ-OD1 3.2Å; K470-D927 PolarHBondContact NZ-OD1 3.4Å
471	R	91.1	Very high	89.9	Confident	95 Å²	95	34.9 Å²	34.9	36%	0.358	16%	0.161	S	C	.	.	H	α-helix	trans	-65.4	-36.5	-178.6	-69.5	172.9	65.3	-165	-0.4	112.7	E467 W469 R475 P926 D927	E467-R471 WeakPolarHBondContact O-CB 3.24Å; E467-R471 WeakPolarHBondContact O-CG 3.46Å; E467-R471 PolarHBondContact O-N 3.46Å; E467-R471 VanDerWaalsContact O-N 3.11Å; W469-R471 VanDerWaalsContact C-N 3.28Å; W469-R471 PolarHBondContact O-N 3Å; R471-R475 PolarHBondContact O-N 3.06Å; R471-R475 VanDerWaalsContact O-N 3.11Å; R471-P926 WeakPolarHBondContact CD-O 3.44Å; R471-D927 VanDerWaalsContact CG-O 3.29Å; R471-D927 WeakPolarHBondContact CG-O 3.49Å
472	R	90	Very high	89	Confident	90 Å²	90	35 Å²	35	34%	0.34	16%	0.162	S	C	.	.	H	α-helix	trans	-70.1	-42.7	174.2	-177.7	59	174	-164.5	0.6	111.8	V379 H468 W469 K470 M474 R475 L476	V379-R472 HydrophobicContact CG2-CB 4.4Å; V379-R472 HydrophobicContact CG2-CG 3.86Å; H468-R472 VanDerWaalsContact O-CB 3.3Å; H468-R472 WeakPolarHBondContact O-CB 3.4Å; H468-R472 PolarHBondContact O-N 3.04Å; W469-R472 HydrophobicContact CE3-CB 4.36Å; W469-R472 HydrophobicContact CE3-CG 4.48Å; W469-R472 HydrophobicContact CZ3-CG 4.25Å; W469-R472 CarbonylContact O-C 3.56Å; W469-R472 PolarHBondContact O-N 2.95Å; W469-R472 VanDerWaalsContact O-N 3.1Å; K470-R472 PolarHBondContact O-N 3.47Å; R472-M474 VanDerWaalsContact C-N 3.34Å; R472-M474 PolarHBondContact O-N 3.32Å; R472-R475 PolarHBondContact O-N 3.34Å; R472-L476 HydrophobicContact CG-CD1 4.15Å; R472-L476 HydrophobicContact CG-CG 4.48Å; R472-L476 WeakPolarHBondContact O-CG 3.39Å; R472-L476 PolarHBondContact O-N 3.33Å
473	Q	91.4	Very high	87.9	Confident	27 Å²	27	37 Å²	37	13%	0.126	17%	0.174	C	C	.	.	H	α-helix	trans	-58.3	-45.9	174.7	-170.8	-179.3	-86	0	0	110.4	L372 W469 K470 R475 L476 N477	L372-Q473 HydrophobicContact CD1-CG 4.4Å; W469-Q473 HydrophobicContact CD2-CB 4.5Å; W469-Q473 HydrophobicContact CZ2-CB 3.95Å; W469-Q473 HydrophobicContact CZ2-CG 4.08Å; W469-Q473 WeakPolarHBondContact O-CB 3.36Å; W469-Q473 PolarHBondContact O-N 3.45Å; K470-Q473 WeakPolarHBondContact O-CB 3.45Å; K470-Q473 PolarHBondContact O-N 3.29Å; Q473-R475 PolarHBondContact O-N 2.92Å; Q473-L476 PolarHBondContact O-N 2.75Å; Q473-N477 WeakPolarHBondContact O-CB 3.32Å; Q473-N477 VanDerWaalsContact O-CG 3.27Å; Q473-N477 PolarHBondContact O-N 3.29Å; Q473-N477 PolarHBondContact O-ND2 3.31Å
474	M	87.4	Confident	86.4	Confident	53 Å²	53	38 Å²	38	26%	0.261	18%	0.179	S	C	.	.	H	α-helix	trans	-62.9	-40.8	175.5	-73	-55.9	-65	0	0	113.3	K470 R472 N477 Y478 I928	K470-M474 WeakPolarHBondContact O-CG 3.28Å; K470-M474 PolarHBondContact O-N 2.97Å; R472-M474 VanDerWaalsContact C-N 3.34Å; R472-M474 PolarHBondContact O-N 3.32Å; M474-N477 PolarHBondContact O-N 3.5Å; M474-Y478 PolarHBondContact O-N 3.27Å; M474-I928 HydrophobicContact CE-CD1 4.44Å; M474-I928 HydrophobicContact CE-CG1 4.36Å
475	R	87.3	Confident	84.5	Confident	97 Å²	97	37.3 Å²	37.3	37%	0.366	17%	0.171	S	C	.	.	H	α-helix	trans	-65.5	-38	173.6	-175.8	177.5	-76.4	-177.7	-0.4	112.1	R471 R472 Q473 Y478 V479 D931 I932	R471-R475 PolarHBondContact O-N 3.06Å; R471-R475 VanDerWaalsContact O-N 3.11Å; R472-R475 PolarHBondContact O-N 3.34Å; Q473-R475 PolarHBondContact O-N 2.92Å; R475-Y478 PolarHBondContact O-N 2.92Å; R475-V479 HydrophobicContact CG-CG2 4.48Å; R475-V479 WeakPolarHBondContact O-CG2 3.3Å; R475-V479 PolarHBondContact O-N 2.96Å; R475-D931 IonicContact CZ-OD2 3.53Å; R475-D931 IonicContact NE-OD2 3.55Å; R475-D931 IonicContact NH2-OD2 2.68Å; R475-D931 PolarHBondContact NH2-OD2 2.99Å; R475-I932 HydrophobicContact CB-CG1 4.38Å; R475-I932 HydrophobicContact CG-CD1 4.02Å; R475-I932 HydrophobicContact CG-CG1 4.36Å
476	L	88.1	Confident	82.1	Confident	10 Å²	10	38.1 Å²	38.1	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-66.9	-44.4	175.2	-68.7	171.7	0	0	0	111.1	L372 A375 W469 R472 Q473 Y478 V479 W480	L372-L476 HydrophobicContact CD1-CD1 4.4Å; A375-L476 HydrophobicContact CB-CD1 3.6Å; W469-L476 HydrophobicContact CH2-CD1 4.4Å; R472-L476 HydrophobicContact CG-CD1 4.15Å; R472-L476 HydrophobicContact CG-CG 4.48Å; R472-L476 WeakPolarHBondContact O-CG 3.39Å; R472-L476 PolarHBondContact O-N 3.33Å; Q473-L476 PolarHBondContact O-N 2.75Å; L476-Y478 VanDerWaalsContact C-N 3.26Å; L476-Y478 PolarHBondContact O-N 3.5Å; L476-V479 CarbonylContact O-C 3.54Å; L476-V479 PolarHBondContact O-N 2.64Å; L476-W480 HydrophobicContact CB-CD2 4.25Å; L476-W480 HydrophobicContact CB-CE3 4.37Å; L476-W480 HydrophobicContact CB-CH2 4.32Å; L476-W480 HydrophobicContact CB-CZ2 4.18Å; L476-W480 HydrophobicContact CB-CZ3 4.41Å; L476-W480 HydrophobicContact CD1-CH2 4.24Å; L476-W480 HydrophobicContact CD1-CZ2 4.3Å; L476-W480 HydrophobicContact CD2-CZ2 3.79Å; L476-W480 HydrophobicContact CG-CZ2 4.3Å; L476-W480 WeakPolarHBondContact O-CB 3.26Å; L476-W480 PolarHBondContact O-N 3.06Å
477	N	87.4	Confident	79.6	Confident	11 Å²	11	44.6 Å²	44.6	6%	0.059	21%	0.211	C	C	.	.	H	α-helix	trans	-57.4	-38.1	174.7	-73.4	-17.7	0	0	0	112.6	Q473 M474 W480 D481 L482 K797	Q473-N477 WeakPolarHBondContact O-CB 3.32Å; Q473-N477 VanDerWaalsContact O-CG 3.27Å; Q473-N477 PolarHBondContact O-N 3.29Å; Q473-N477 PolarHBondContact O-ND2 3.31Å; M474-N477 PolarHBondContact O-N 3.5Å; N477-W480 CarbonylContact O-C 3.48Å; N477-D481 CarbonylContact O-C 3.53Å; N477-D481 PolarHBondContact O-N 3.21Å; N477-L482 HydrophobicContact CB-CB 4.3Å; N477-L482 PolarHBondContact O-N 2.89Å; N477-K797 PolarHBondContact ND2-O 3.49Å; N477-K797 PolarHBondContact OD1-O 2.95Å
478	Y	83.5	Confident	77.1	Confident	7 Å²	7	49.1 Å²	49.1	3%	0.027	23%	0.233	C	C	.	.	H	α-helix	trans	-67.8	-49.8	173.1	175.1	-108.9	0	0	0	112.8	Y224 M474 R475 L476 W480 D481 I932 Q935 I936 E939	Y224-Y478 PolarHBondContact OH-OH 3.49Å; Y224-Y478 VanDerWaalsContact OH-OH 3.09Å; M474-Y478 PolarHBondContact O-N 3.27Å; R475-Y478 PolarHBondContact O-N 2.92Å; L476-Y478 VanDerWaalsContact C-N 3.26Å; L476-Y478 PolarHBondContact O-N 3.5Å; Y478-W480 PolarHBondContact O-N 3.46Å; Y478-D481 PolarHBondContact O-N 2.93Å; Y478-D481 VanDerWaalsContact O-N 3.11Å; Y478-I932 HydrophobicContact CD1-CD1 3.92Å; Y478-I932 HydrophobicContact CD1-CG2 4.16Å; Y478-I932 HydrophobicContact CD2-CG2 4.33Å; Y478-I932 HydrophobicContact CE1-CD1 4.42Å; Y478-I932 HydrophobicContact CG-CG2 3.79Å; Y478-Q935 HydrophobicContact CE1-CB 4.25Å; Y478-I936 HydrophobicContact CD2-CD1 4.06Å; Y478-I936 HydrophobicContact CD2-CG1 3.43Å; Y478-I936 VanDerWaalsContact CD2-CG1 3.43Å; Y478-I936 HydrophobicContact CE2-CG1 3.67Å; Y478-I936 HydrophobicContact CG-CG1 4.37Å; Y478-E939 VanDerWaalsContact CE2-OE2 3.29Å; Y478-E939 WeakPolarHBondContact CE2-OE2 3.18Å
479	V	82.6	Confident	74.9	Confident	82 Å²	82	49.1 Å²	49.1	50%	0.497	23%	0.233	S	C	.	.	H	α-helix	trans	-66.5	-17.5	177.9	174.3	0	0	0	0	112.2	R475 L476	R475-V479 HydrophobicContact CG-CG2 4.48Å; R475-V479 WeakPolarHBondContact O-CG2 3.3Å; R475-V479 PolarHBondContact O-N 2.96Å; L476-V479 CarbonylContact O-C 3.54Å; L476-V479 PolarHBondContact O-N 2.64Å
480	W	84.3	Confident	72.5	Confident	10 Å²	10	55.8 Å²	55.8	4%	0.038	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	4.1	177.3	-57.4	-8	0	0	0	113.6	I359 R363 E368 L372 L476 N477 Y478 L482	I359-W480 HydrophobicContact CG2-CH2 4.49Å; I359-W480 HydrophobicContact CG2-CZ2 3.72Å; R363-W480 PolarHBondContact NH2-O 3Å; E368-W480 HydrophobicContact CB-CE3 4.4Å; E368-W480 HydrophobicContact CG-CE3 4.04Å; L372-W480 HydrophobicContact CB-CH2 4.3Å; L372-W480 HydrophobicContact CB-CZ3 4.08Å; L372-W480 HydrophobicContact CD1-CH2 4.22Å; L372-W480 HydrophobicContact CD1-CZ3 3.91Å; L476-W480 HydrophobicContact CB-CD2 4.25Å; L476-W480 HydrophobicContact CB-CE3 4.37Å; L476-W480 HydrophobicContact CB-CH2 4.32Å; L476-W480 HydrophobicContact CB-CZ2 4.18Å; L476-W480 HydrophobicContact CB-CZ3 4.41Å; L476-W480 HydrophobicContact CD1-CH2 4.24Å; L476-W480 HydrophobicContact CD1-CZ2 4.3Å; L476-W480 HydrophobicContact CD2-CZ2 3.79Å; L476-W480 HydrophobicContact CG-CZ2 4.3Å; L476-W480 WeakPolarHBondContact O-CB 3.26Å; L476-W480 PolarHBondContact O-N 3.06Å; N477-W480 CarbonylContact O-C 3.48Å; Y478-W480 PolarHBondContact O-N 3.46Å; W480-L482 HydrophobicContact CB-CD1 4.02Å; W480-L482 HydrophobicContact CB-CG 3.93Å; W480-L482 HydrophobicContact CE3-CD1 3.93Å; W480-L482 PolarHBondContact O-N 2.95Å
481	D	80.4	Confident	69.9	Low	31 Å²	31	62 Å²	62	17%	0.166	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	18.7	-179.1	-57.1	-36.8	0	0	0	115.8	K217 K260 S263 N477 Y478 T483	K217-D481 HydrophobicContact CD-CB 3.68Å; K217-D481 WeakPolarHBondContact CD-O 3.47Å; K217-D481 PolarHBondContact NZ-O 3.07Å; K260-D481 VanDerWaalsContact CE-OD1 3.3Å; K260-D481 WeakPolarHBondContact CE-OD1 3Å; K260-D481 IonicContact NZ-OD1 3.07Å; K260-D481 PolarHBondContact NZ-OD1 2.72Å; S263-D481 WeakPolarHBondContact CB-OD2 3.29Å; S263-D481 PolarHBondContact OG-OD1 3.48Å; S263-D481 PolarHBondContact OG-OD2 3.5Å; N477-D481 CarbonylContact O-C 3.53Å; N477-D481 PolarHBondContact O-N 3.21Å; Y478-D481 PolarHBondContact O-N 2.93Å; Y478-D481 VanDerWaalsContact O-N 3.11Å; D481-T483 PolarHBondContact O-N 3.33Å
482	L	77.7	Confident	67.4	Low	9 Å²	9	64.9 Å²	64.9	5%	0.047	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.1	-177.7	-62.2	176.3	0	0	0	114.3	E368 N477 W480 D484 Y485 K795 V796	E368-L482 HydrophobicContact CG-CD1 4.08Å; E368-L482 HydrophobicContact CG-CD2 4.4Å; N477-L482 HydrophobicContact CB-CB 4.3Å; N477-L482 PolarHBondContact O-N 2.89Å; W480-L482 HydrophobicContact CB-CD1 4.02Å; W480-L482 HydrophobicContact CB-CG 3.93Å; W480-L482 HydrophobicContact CE3-CD1 3.93Å; W480-L482 PolarHBondContact O-N 2.95Å; L482-D484 PolarHBondContact O-N 3.33Å; L482-Y485 HydrophobicContact CD2-CD1 4.41Å; L482-Y485 WeakPolarHBondContact O-CB 3.21Å; L482-Y485 PolarHBondContact O-N 3.25Å; L482-K795 HydrophobicContact CD2-CB 4.41Å; L482-V796 WeakPolarHBondContact CD1-O 3.38Å
483	T	71.6	Confident	65.3	Low	45 Å²	45	63.9 Å²	63.9	28%	0.276	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-49.7	-173.8	45.3	0	0	0	0	113.7	D481 I936	D481-T483 PolarHBondContact O-N 3.33Å; T483-I936 HydrophobicContact CG2-CD1 4.09Å
484	D	61.3	Low	63.2	Low	44 Å²	44	70.3 Å²	70.3	24%	0.235	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-10.3	-174.8	-41.3	-85.2	0	0	0	112.1	K217 L482 G486 M487 K940	K217-D484 IonicContact NZ-OD2 3.93Å; K217-D484 PolarHBondContact NZ-OD2 3.49Å; L482-D484 PolarHBondContact O-N 3.33Å; D484-G486 PolarHBondContact O-N 2.81Å; D484-G486 VanDerWaalsContact O-N 3.16Å; D484-M487 PolarHBondContact O-N 3.33Å; D484-K940 IonicContact OD1-NZ 2.67Å; D484-K940 PolarHBondContact OD1-NZ 3.49Å
485	Y	53.2	Low	61.6	Low	60 Å²	60	71 Å²	71	24%	0.235	34%	0.34	C	S	.	.	H	α-helix	trans	-56.7	-31.3	177.9	-166.7	-121.1	0	0	0	112.2	L482 E489 K795	L482-Y485 HydrophobicContact CD2-CD1 4.41Å; L482-Y485 WeakPolarHBondContact O-CB 3.21Å; L482-Y485 PolarHBondContact O-N 3.25Å; Y485-E489 HydrophobicContact CD2-CG 4.41Å; Y485-E489 HydrophobicContact CE2-CG 4.07Å; Y485-E489 WeakPolarHBondContact CE2-OE1 3.38Å; Y485-E489 PolarHBondContact OH-OE1 2.79Å; Y485-E489 PolarHBondContact OH-OE2 3.34Å; Y485-K795 HydrophobicContact CD1-CB 4.25Å; Y485-K795 HydrophobicContact CD2-CD 4.18Å; Y485-K795 HydrophobicContact CE1-CB 3.46Å; Y485-K795 VanDerWaalsContact CE1-CB 3.46Å; Y485-K795 HydrophobicContact CE1-CD 4.08Å; Y485-K795 HydrophobicContact CE1-CG 4.46Å; Y485-K795 HydrophobicContact CE2-CB 4.44Å; Y485-K795 HydrophobicContact CE2-CD 3.54Å
486	G	45.6	Very low	60.3	Low	17 Å²	17	69.4 Å²	69.4	18%	0.175	34%	0.336	C	S	.	.	H	α-helix	trans	-81.2	-6.8	-177.9	0	0	0	0	0	116.8	D484	D484-G486 PolarHBondContact O-N 2.81Å; D484-G486 VanDerWaalsContact O-N 3.16Å
487	M	39.4	Very low	59.3	Low	141 Å²	141	71.5 Å²	71.5	70%	0.695	35%	0.348	S	S	*	.	H	α-helix	trans	-109.6	-35.7	-179.1	-59.7	-156.5	-53.3	0	0	113.5	D484	D484-M487 PolarHBondContact O-N 3.33Å
488	E	39.4	Very low	58.5	Low	98 Å²	98	72.9 Å²	72.9	46%	0.458	35%	0.352	S	S	.	.	H	α-helix	trans	-83.6	-28.6	-178	-62.4	-167.1	171.7	0	0	114.2	K215 H492	K215-E488 VanDerWaalsContact CD-OE2 3.22Å; K215-E488 WeakPolarHBondContact CD-OE2 3.34Å; K215-E488 WeakPolarHBondContact CE-OE2 3.46Å; K215-E488 IonicContact NZ-OE1 3.79Å; K215-E488 IonicContact NZ-OE2 3.78Å; K215-E488 PolarHBondContact NZ-OE2 3.12Å; E488-H492 WeakPolarHBondContact O-CB 3.49Å; E488-H492 PolarHBondContact O-N 2.92Å
489	E	46.2	Very low	57.7	Low	70 Å²	70	73.2 Å²	73.2	33%	0.327	36%	0.356	S	S	.	.	H	α-helix	trans	-73	-34.8	-177.6	-76.4	-162	151.7	0	0	113.5	Y485 E491 H492 Y493	Y485-E489 HydrophobicContact CD2-CG 4.41Å; Y485-E489 HydrophobicContact CE2-CG 4.07Å; Y485-E489 WeakPolarHBondContact CE2-OE1 3.38Å; Y485-E489 PolarHBondContact OH-OE1 2.79Å; Y485-E489 PolarHBondContact OH-OE2 3.34Å; E489-E491 PolarHBondContact O-N 3.06Å; E489-H492 PolarHBondContact O-N 3.5Å; E489-Y493 CarbonylContact O-C 3.55Å; E489-Y493 PolarHBondContact O-N 3.39Å
490	E	42.8	Very low	57.1	Low	141 Å²	141	72.8 Å²	72.8	66%	0.659	35%	0.349	S	S	*	.	H	α-helix	trans	-65.3	-25.7	-176.1	-65.4	-170.1	-170	0	0	112.5	K797	E490-K797 IonicContact OE1-NZ 2.62Å; E490-K797 PolarHBondContact OE1-NZ 3.21Å
491	E	37.7	Very low	56.5	Low	163 Å²	163	73.2 Å²	73.2	76%	0.762	35%	0.351	S	S	*	.	H	α-helix	trans	-88.2	-47.1	171.1	-62.8	-157.2	130.9	0	0	113.2	E489 K494	E489-E491 PolarHBondContact O-N 3.06Å; E491-K494 PolarHBondContact O-NZ 3.25Å
492	H	38.1	Very low	55.9	Low	157 Å²	157	74.9 Å²	74.9	73%	0.727	36%	0.357	S	S	*	.	H	α-helix	trans	-100.4	-26.8	-162.9	-155.1	-70.8	0	0	0	115.5	E488 E489	E488-H492 WeakPolarHBondContact O-CB 3.49Å; E488-H492 PolarHBondContact O-N 2.92Å; E489-H492 PolarHBondContact O-N 3.5Å
493	Y	46.9	Very low	55.4	Low	69 Å²	69	78.5 Å²	78.5	27%	0.271	38%	0.376	S	S	.	.			trans	-116.7	76.7	-177.3	-129.8	-96.4	0	0	0	110.3	R298 E489 D495	R298-Y493 PolarHBondContact NH2-OH 3.43Å; R298-Y493 VanDerWaalsContact NH2-OH 3.16Å; E489-Y493 CarbonylContact O-C 3.55Å; E489-Y493 PolarHBondContact O-N 3.39Å; Y493-D495 PolarHBondContact O-N 3.05Å
494	K	45.6	Very low	55.3	Low	161 Å²	161	80.8 Å²	80.8	70%	0.7	38%	0.38	S	S	*	.			trans	-62.4	101.2	174.7	-74.8	178.5	177.6	79.3	0	109.5	E491 H496	E491-K494 PolarHBondContact O-NZ 3.25Å; K494-H496 PolarHBondContact O-N 3.48Å
495	D	55	Low	55.6	Low	67 Å²	67	80 Å²	80	36%	0.358	38%	0.377	S	S	.	.			trans	-35	123.2	175	-170.6	19.1	0	0	0	110.7	Y493 N497 T615	Y493-D495 PolarHBondContact O-N 3.05Å; D495-N497 PolarHBondContact O-N 3.19Å; D495-T615 HydrophobicContact CB-CG2 4.13Å; D495-T615 VanDerWaalsContact OD2-CB 3.27Å; D495-T615 WeakPolarHBondContact OD2-CB 3.08Å; D495-T615 PolarHBondContact OD2-OG1 2.68Å
496	H	60.2	Low	56.1	Low	64 Å²	64	78 Å²	78	30%	0.296	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-55.9	133.2	-166.8	-79	81.6	0	0	0	109.3	K494 R498	K494-H496 PolarHBondContact O-N 3.48Å; H496-R498 PolarHBondContact O-N 3.22Å
497	N	67.1	Low	57.2	Low	55 Å²	55	81.5 Å²	81.5	29%	0.294	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-63.5	137.6	178.1	-41.8	-70.8	0	0	0	108.4	D495 A499 Y501 E502 K614	D495-N497 PolarHBondContact O-N 3.19Å; N497-A499 PolarHBondContact O-N 2.98Å; N497-Y501 HydrophobicContact CB-CD1 4.05Å; N497-E502 HydrophobicContact CB-CG 3.64Å; N497-E502 WeakPolarHBondContact CB-OE1 3.43Å; N497-E502 PolarHBondContact ND2-OE1 2.91Å; N497-K614 WeakPolarHBondContact CA-O 3.49Å; N497-K614 WeakPolarHBondContact OD1-CE 3.1Å
498	R	70.8	Confident	58.5	Low	40 Å²	40	77.2 Å²	77.2	15%	0.151	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-63.2	139.4	179	-178.5	177.5	171.3	159	-12.7	110.4	H496 E500 Y501 E502 K614 D616	H496-R498 PolarHBondContact O-N 3.22Å; R498-E500 VanDerWaalsContact C-N 3.25Å; R498-E500 HydrophobicContact CG-CB 4.4Å; R498-E500 IonicContact CZ-OE1 3.83Å; R498-E500 IonicContact CZ-OE2 2.71Å; R498-E500 IonicContact NE-OE1 4Å; R498-E500 PolarHBondContact NE-OE1 3.37Å; R498-E500 IonicContact NE-OE2 3.55Å; R498-E500 VanDerWaalsContact NH2-CD 3.31Å; R498-E500 IonicContact NH2-OE1 3.81Å; R498-E500 PolarHBondContact NH2-OE1 3.45Å; R498-E500 IonicContact NH2-OE2 2.71Å; R498-E500 PolarHBondContact NH2-OE2 2.89Å; R498-E500 PolarHBondContact O-N 3.13Å; R498-E500 VanDerWaalsContact O-N 3.14Å; R498-Y501 WeakPolarHBondContact O-CA 3.43Å; R498-Y501 WeakPolarHBondContact O-CB 3.24Å; R498-Y501 PolarHBondContact O-N 2.95Å; R498-E502 PolarHBondContact O-N 2.93Å; R498-K614 PolarHBondContact N-O 2.93Å; R498-D616 WeakPolarHBondContact CD-OD1 3.37Å
499	A	66.9	Low	59.6	Low	14 Å²	14	74.4 Å²	74.4	12%	0.116	35%	0.351	C	S	.	.	H	α-helix	trans	-53	-38.7	-178.7	0	0	0	0	0	113.6	N497 Y501 E502 L503	N497-A499 PolarHBondContact O-N 2.98Å; A499-Y501 VanDerWaalsContact C-N 3.33Å; A499-Y501 PolarHBondContact O-N 3.11Å; A499-E502 PolarHBondContact O-N 2.94Å; A499-L503 WeakPolarHBondContact O-CB 3.5Å; A499-L503 VanDerWaalsContact O-CG 3.25Å; A499-L503 WeakPolarHBondContact O-CG 3.23Å; A499-L503 PolarHBondContact O-N 3.18Å
500	E	69.4	Low	60.2	Low	72 Å²	72	75.9 Å²	75.9	34%	0.336	36%	0.359	S	S	.	.	H	α-helix	trans	-63	-33.3	173.6	-76.6	163.5	-115.1	0	0	114.1	R498 R504	R498-E500 VanDerWaalsContact C-N 3.25Å; R498-E500 HydrophobicContact CG-CB 4.4Å; R498-E500 IonicContact CZ-OE1 3.83Å; R498-E500 IonicContact CZ-OE2 2.71Å; R498-E500 IonicContact NE-OE1 4Å; R498-E500 PolarHBondContact NE-OE1 3.37Å; R498-E500 IonicContact NE-OE2 3.55Å; R498-E500 VanDerWaalsContact NH2-CD 3.31Å; R498-E500 IonicContact NH2-OE1 3.81Å; R498-E500 PolarHBondContact NH2-OE1 3.45Å; R498-E500 IonicContact NH2-OE2 2.71Å; R498-E500 PolarHBondContact NH2-OE2 2.89Å; R498-E500 PolarHBondContact O-N 3.13Å; R498-E500 VanDerWaalsContact O-N 3.14Å; E500-R504 PolarHBondContact O-N 2.62Å
501	Y	72.1	Confident	61.1	Low	20 Å²	20	77.7 Å²	77.7	8%	0.078	36%	0.36	C	S	.	.	H	α-helix	trans	-71.7	-44.6	174.3	176.3	-93.3	0	0	0	110.4	N497 R498 A499 L503 R504 V505 L524 R529 V612 K614	N497-Y501 HydrophobicContact CB-CD1 4.05Å; R498-Y501 WeakPolarHBondContact O-CA 3.43Å; R498-Y501 WeakPolarHBondContact O-CB 3.24Å; R498-Y501 PolarHBondContact O-N 2.95Å; A499-Y501 VanDerWaalsContact C-N 3.33Å; A499-Y501 PolarHBondContact O-N 3.11Å; Y501-L503 VanDerWaalsContact C-N 3.33Å; Y501-L503 PolarHBondContact O-N 2.85Å; Y501-R504 PolarHBondContact O-N 3.48Å; Y501-V505 HydrophobicContact CD1-CG2 4.08Å; Y501-V505 HydrophobicContact CE1-CG2 3.57Å; Y501-V505 HydrophobicContact CE2-CG2 4.2Å; Y501-V505 WeakPolarHBondContact O-CG2 3.29Å; Y501-V505 PolarHBondContact O-N 3.37Å; Y501-L524 HydrophobicContact CE2-CB 4.38Å; Y501-L524 HydrophobicContact CE2-CD1 3.98Å; Y501-L524 HydrophobicContact CE2-CD2 4.19Å; Y501-L524 HydrophobicContact CE2-CG 4.42Å; Y501-R529 VanDerWaalsContact CE2-NH2 3.29Å; Y501-V612 HydrophobicContact CD2-CB 4.47Å; Y501-V612 HydrophobicContact CD2-CG1 3.92Å; Y501-V612 HydrophobicContact CG-CG1 4.48Å; Y501-K614 HydrophobicContact CD1-CG 4.22Å; Y501-K614 HydrophobicContact CE1-CG 4.04Å
502	E	67.8	Low	62.2	Low	65 Å²	65	74.6 Å²	74.6	30%	0.304	35%	0.346	S	S	.	.	H	α-helix	trans	-64.5	-36.6	177.1	-59.6	-163.1	140.4	0	0	112.1	N497 R498 A499 V505 A506	N497-E502 HydrophobicContact CB-CG 3.64Å; N497-E502 WeakPolarHBondContact CB-OE1 3.43Å; N497-E502 PolarHBondContact ND2-OE1 2.91Å; R498-E502 PolarHBondContact O-N 2.93Å; A499-E502 PolarHBondContact O-N 2.94Å; E502-V505 PolarHBondContact O-N 3.46Å; E502-A506 WeakPolarHBondContact O-CB 3.34Å; E502-A506 PolarHBondContact O-N 2.95Å
503	L	66.1	Low	63	Low	86 Å²	86	71.8 Å²	71.8	45%	0.45	34%	0.336	S	S	.	.	H	α-helix	trans	-62.3	-44.5	173.3	-75.8	166.6	0	0	0	112.7	L308 A499 Y501 A506 E507	L308-L503 HydrophobicContact CD2-CD2 4.28Å; A499-L503 WeakPolarHBondContact O-CB 3.5Å; A499-L503 VanDerWaalsContact O-CG 3.25Å; A499-L503 WeakPolarHBondContact O-CG 3.23Å; A499-L503 PolarHBondContact O-N 3.18Å; Y501-L503 VanDerWaalsContact C-N 3.33Å; Y501-L503 PolarHBondContact O-N 2.85Å; L503-A506 PolarHBondContact O-N 2.9Å; L503-E507 PolarHBondContact O-N 2.75Å
504	R	69.5	Low	63.4	Low	92 Å²	92	77.1 Å²	77.1	35%	0.347	36%	0.364	S	S	.	.	H	α-helix	trans	-74.1	-26.8	176.5	-64.7	-160.2	-148.3	165.9	17.8	113.3	E500 Y501 K508 T609 L610 V612	E500-R504 PolarHBondContact O-N 2.62Å; Y501-R504 PolarHBondContact O-N 3.48Å; R504-K508 WeakPolarHBondContact O-CB 3.42Å; R504-K508 PolarHBondContact O-N 3.34Å; R504-K508 VanDerWaalsContact O-N 3.09Å; R504-T609 PolarHBondContact NH2-O 3.47Å; R504-L610 PolarHBondContact NH1-O 3.14Å; R504-V612 VanDerWaalsContact CZ-CG2 3.41Å
505	V	67.9	Low	63.5	Low	29 Å²	29	72.2 Å²	72.2	18%	0.176	36%	0.358	C	S	.	.	H	α-helix	trans	-65.4	-45.9	167.4	170.5	0	0	0	0	110.3	Y501 E502 E507 K508 T509 L524	Y501-V505 HydrophobicContact CD1-CG2 4.08Å; Y501-V505 HydrophobicContact CE1-CG2 3.57Å; Y501-V505 HydrophobicContact CE2-CG2 4.2Å; Y501-V505 WeakPolarHBondContact O-CG2 3.29Å; Y501-V505 PolarHBondContact O-N 3.37Å; E502-V505 PolarHBondContact O-N 3.46Å; V505-E507 PolarHBondContact O-N 3.39Å; V505-K508 PolarHBondContact O-N 3.44Å; V505-T509 WeakPolarHBondContact O-CB 3.46Å; V505-T509 PolarHBondContact O-N 2.91Å; V505-T509 PolarHBondContact O-OG1 2.99Å; V505-L524 HydrophobicContact CB-CD1 4.48Å; V505-L524 HydrophobicContact CG2-CD1 3.47Å; V505-L524 VanDerWaalsContact CG2-CD1 3.47Å
506	A	63.4	Low	63	Low	17 Å²	17	73.3 Å²	73.3	14%	0.14	38%	0.377	C	S	.	.	H	α-helix	trans	-61.5	-42.9	177.5	0	0	0	0	0	112	Y306 E502 L503 T509 M510	Y306-A506 HydrophobicContact CD1-CB 3.95Å; Y306-A506 HydrophobicContact CE1-CB 3.6Å; E502-A506 WeakPolarHBondContact O-CB 3.34Å; E502-A506 PolarHBondContact O-N 2.95Å; L503-A506 PolarHBondContact O-N 2.9Å; A506-T509 PolarHBondContact O-N 3.41Å; A506-M510 WeakPolarHBondContact O-CG 3.47Å; A506-M510 PolarHBondContact O-N 2.89Å
507	E	69.1	Low	62.5	Low	90 Å²	90	74.8 Å²	74.8	42%	0.421	40%	0.4	S	S	.	.	H	α-helix	trans	-61.8	-43.5	174.8	-163.9	-160	155.6	0	0	112.1	L503 V505 T509 M510 R511	L503-E507 PolarHBondContact O-N 2.75Å; V505-E507 PolarHBondContact O-N 3.39Å; E507-T509 VanDerWaalsContact C-N 3.33Å; E507-T509 PolarHBondContact O-N 2.79Å; E507-M510 PolarHBondContact O-N 2.77Å; E507-R511 WeakPolarHBondContact O-CG 3.38Å; E507-R511 PolarHBondContact O-N 3.32Å; E507-R511 VanDerWaalsContact O-N 3.13Å; E507-R511 IonicContact OE1-CZ 3.83Å; E507-R511 VanDerWaalsContact OE1-CZ 3.3Å; E507-R511 IonicContact OE1-NE 3.59Å; E507-R511 PolarHBondContact OE1-NE 3.5Å; E507-R511 VanDerWaalsContact OE1-NE 3.14Å; E507-R511 IonicContact OE1-NH2 3.35Å; E507-R511 PolarHBondContact OE1-NH2 3.2Å
508	K	66.7	Low	61.2	Low	52 Å²	52	81.2 Å²	81.2	23%	0.226	43%	0.426	C	S	.	.	H	α-helix	trans	-63.3	-40.6	175	-173.9	176	178.2	-179.5	0	111.5	R504 V505 R511 Q512 V522 T525 D528	R504-K508 WeakPolarHBondContact O-CB 3.42Å; R504-K508 PolarHBondContact O-N 3.34Å; R504-K508 VanDerWaalsContact O-N 3.09Å; V505-K508 PolarHBondContact O-N 3.44Å; K508-R511 PolarHBondContact O-N 2.96Å; K508-Q512 WeakPolarHBondContact O-CB 3.22Å; K508-Q512 PolarHBondContact O-N 2.9Å; K508-Q512 VanDerWaalsContact O-N 3.15Å; K508-V522 HydrophobicContact CD-CG1 3.95Å; K508-V522 HydrophobicContact CG-CG1 4.34Å; K508-T525 PolarHBondContact NZ-OG1 2.68Å; K508-D528 IonicContact NZ-OD2 3.43Å; K508-D528 PolarHBondContact NZ-OD2 3.42Å
509	T	62.8	Low	59.9	Low	39 Å²	39	88 Å²	88	24%	0.239	47%	0.465	C	S	.	.	H	α-helix	trans	-64.5	-48	178	-51.8	0	0	0	0	110.7	V505 A506 E507 R511 Q512 D513	V505-T509 WeakPolarHBondContact O-CB 3.46Å; V505-T509 PolarHBondContact O-N 2.91Å; V505-T509 PolarHBondContact O-OG1 2.99Å; A506-T509 PolarHBondContact O-N 3.41Å; E507-T509 VanDerWaalsContact C-N 3.33Å; E507-T509 PolarHBondContact O-N 2.79Å; T509-R511 VanDerWaalsContact C-N 3.29Å; T509-R511 PolarHBondContact O-N 3.36Å; T509-Q512 CarbonylContact O-C 3.59Å; T509-Q512 WeakPolarHBondContact O-CA 3.42Å; T509-Q512 PolarHBondContact O-N 3.15Å; T509-D513 VanDerWaalsContact O-CG 3.29Å; T509-D513 PolarHBondContact O-N 2.75Å
510	M	59.1	Low	58.9	Low	101 Å²	101	94.8 Å²	94.8	50%	0.498	49%	0.494	S	S	.	.	H	α-helix	trans	-55.2	-40.2	174.4	-76.9	-172.2	169.6	0	0	113.5	Y306 A506 E507 Q512	Y306-M510 HydrophobicContact CE2-CE 3.66Å; Y306-M510 WeakPolarHBondContact OH-CE 3.16Å; Y306-M510 WeakPolarHBondContact OH-CG 3.41Å; A506-M510 WeakPolarHBondContact O-CG 3.47Å; A506-M510 PolarHBondContact O-N 2.89Å; E507-M510 PolarHBondContact O-N 2.77Å; M510-Q512 PolarHBondContact O-N 3.05Å
511	R	61.6	Low	57.7	Low	178 Å²	178	100.6 Å²	100.6	67%	0.672	52%	0.518	S	S	*	.	H	α-helix	trans	-69.9	-20.7	175.8	-68.8	171.5	-178	-125.5	9.4	112.9	E507 K508 T509	E507-R511 WeakPolarHBondContact O-CG 3.38Å; E507-R511 PolarHBondContact O-N 3.32Å; E507-R511 VanDerWaalsContact O-N 3.13Å; E507-R511 IonicContact OE1-CZ 3.83Å; E507-R511 VanDerWaalsContact OE1-CZ 3.3Å; E507-R511 IonicContact OE1-NE 3.59Å; E507-R511 PolarHBondContact OE1-NE 3.5Å; E507-R511 VanDerWaalsContact OE1-NE 3.14Å; E507-R511 IonicContact OE1-NH2 3.35Å; E507-R511 PolarHBondContact OE1-NH2 3.2Å; K508-R511 PolarHBondContact O-N 2.96Å; T509-R511 VanDerWaalsContact C-N 3.29Å; T509-R511 PolarHBondContact O-N 3.36Å
512	Q	60	Low	56.8	Low	98 Å²	98	101.7 Å²	101.7	46%	0.458	53%	0.527	S	S	.	.	H	α-helix	trans	-99.2	-30.3	-176.1	-163.2	165.5	-8.3	0	0	112.3	K508 T509 M510 Q514 G515	K508-Q512 WeakPolarHBondContact O-CB 3.22Å; K508-Q512 PolarHBondContact O-N 2.9Å; K508-Q512 VanDerWaalsContact O-N 3.15Å; T509-Q512 CarbonylContact O-C 3.59Å; T509-Q512 WeakPolarHBondContact O-CA 3.42Å; T509-Q512 PolarHBondContact O-N 3.15Å; M510-Q512 PolarHBondContact O-N 3.05Å; Q512-Q514 PolarHBondContact O-N 2.8Å; Q512-G515 CarbonylContact O-C 3.57Å; Q512-G515 WeakPolarHBondContact O-CA 3.31Å; Q512-G515 PolarHBondContact O-N 3.15Å
513	D	54.7	Low	56.3	Low	98 Å²	98	106.4 Å²	106.4	52%	0.524	55%	0.546	S	S	.	.	H	α-helix	trans	-62.9	-23.5	172.9	-67	-28.7	0	0	0	112.7	T509 G515	T509-D513 VanDerWaalsContact O-CG 3.29Å; T509-D513 PolarHBondContact O-N 2.75Å; D513-G515 PolarHBondContact O-N 2.58Å
514	Q	56.1	Low	56	Low	182 Å²	182	103.4 Å²	103.4	85%	0.85	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-4.4	169.1	-65.7	-176.7	-5.2	0	0	113.3	Q512	Q512-Q514 PolarHBondContact O-N 2.8Å
515	G	48.5	Very low	55.5	Low	57 Å²	57	102.3 Å²	102.3	59%	0.588	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.8	58	-172	0	0	0	0	0	114	Q512 D513	Q512-G515 CarbonylContact O-C 3.57Å; Q512-G515 WeakPolarHBondContact O-CA 3.31Å; Q512-G515 PolarHBondContact O-N 3.15Å; D513-G515 PolarHBondContact O-N 2.58Å
516	A	43.8	Very low	55.1	Low	90 Å²	90	105.4 Å²	105.4	74%	0.744	56%	0.556	S	S	*	*			trans	75.6	136.2	175.5	0	0	0	0	0	117.1
517	A	48.7	Very low	55.2	Low	96 Å²	96	109.2 Å²	109.2	79%	0.793	58%	0.578	S	S	*	*			trans	-78.3	140.7	-174.2	0	0	0	0	0	113.6
518	K	41	Very low	55.1	Low	190 Å²	190	108.2 Å²	108.2	83%	0.826	58%	0.576	S	S	*	*			trans	-160.2	129.9	161.3	-115	175.3	-176.2	-179.2	0	111.7	E520	K518-E520 PolarHBondContact O-N 3.41Å
519	D	43.5	Very low	55.3	Low	182 Å²	182	108 Å²	108	97%	0.973	57%	0.573	S	S	*	*			trans	-72.4	63.8	174.4	-80.9	-64.8	0	0	0	112.9
520	E	44.6	Very low	55.9	Low	157 Å²	157	111.9 Å²	111.9	73%	0.734	59%	0.59	S	S	*	*			trans	-120.4	130.5	171	-142.5	180	171.7	0	0	111	K518 V522	K518-E520 PolarHBondContact O-N 3.41Å; E520-V522 PolarHBondContact O-N 3.19Å
521	K	45.6	Very low	56.8	Low	193 Å²	193	110.6 Å²	110.6	84%	0.839	59%	0.589	S	S	*	*			trans	-70.8	89.8	-171.7	-69.1	179.7	179.4	175.5	0	110.8	K523	K521-K523 PolarHBondContact O-N 2.81Å; K521-K523 VanDerWaalsContact O-N 3.08Å
522	V	53.2	Low	57.7	Low	43 Å²	43	103.2 Å²	103.2	26%	0.261	57%	0.566	S	S	.	*			trans	-52.7	111.1	-176.8	-175.8	0	0	0	0	110.9	K508 E520	K508-V522 HydrophobicContact CD-CG1 3.95Å; K508-V522 HydrophobicContact CG-CG1 4.34Å; E520-V522 PolarHBondContact O-N 3.19Å
523	K	55.8	Low	58.9	Low	164 Å²	164	102.1 Å²	102.1	71%	0.713	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-94.9	148.5	170.4	-65.6	163.6	-168.6	164.9	0	108.5	K521 T525	K521-K523 PolarHBondContact O-N 2.81Å; K521-K523 VanDerWaalsContact O-N 3.08Å; K523-T525 PolarHBondContact O-N 3.28Å
524	L	60.6	Low	60.4	Low	23 Å²	23	103 Å²	103	12%	0.12	56%	0.563	C	S	.	*	P	Polyproline II helix	trans	-63.8	119.4	167	-90.4	66.2	0	0	0	108.8	Y501 V505 R529 V612	Y501-L524 HydrophobicContact CE2-CB 4.38Å; Y501-L524 HydrophobicContact CE2-CD1 3.98Å; Y501-L524 HydrophobicContact CE2-CD2 4.19Å; Y501-L524 HydrophobicContact CE2-CG 4.42Å; V505-L524 HydrophobicContact CB-CD1 4.48Å; V505-L524 HydrophobicContact CG2-CD1 3.47Å; V505-L524 VanDerWaalsContact CG2-CD1 3.47Å; L524-R529 PolarHBondContact O-NH1 2.76Å; L524-V612 HydrophobicContact CD2-CB 4.38Å; L524-V612 HydrophobicContact CD2-CG2 4.49Å
525	T	59.9	Low	61.8	Low	69 Å²	69	97.4 Å²	97.4	42%	0.423	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-73.3	157.1	-174.7	-44.1	0	0	0	0	109.8	K508 K523 T527 D528 R529	K508-T525 PolarHBondContact NZ-OG1 2.68Å; K523-T525 PolarHBondContact O-N 3.28Å; T525-T527 WeakPolarHBondContact CB-OG1 3.41Å; T525-T527 VanDerWaalsContact CG2-OG1 3.31Å; T525-T527 WeakPolarHBondContact CG2-OG1 3.06Å; T525-T527 PolarHBondContact O-N 3.07Å; T525-D528 PolarHBondContact N-OD2 2.97Å; T525-D528 PolarHBondContact O-N 2.85Å; T525-D528 VanDerWaalsContact O-N 3.13Å; T525-D528 PolarHBondContact OG1-OD2 2.74Å; T525-R529 PolarHBondContact O-N 2.97Å
526	C	58.4	Low	63.7	Low	94 Å²	94	95.2 Å²	95.2	64%	0.635	52%	0.516	S	S	*	.	H	α-helix	trans	-60.2	-35.8	178.2	-163	0	0	0	0	112.1	D528 R529 M530	C526-D528 VanDerWaalsContact C-N 3.32Å; C526-D528 PolarHBondContact O-N 3.23Å; C526-R529 PolarHBondContact O-N 2.93Å; C526-M530 PolarHBondContact O-N 3.29Å
527	T	65.4	Low	65.8	Low	98 Å²	98	95.2 Å²	95.2	60%	0.601	51%	0.507	S	S	*	.	H	α-helix	trans	-53	-45.4	172.3	45.9	0	0	0	0	112.8	T525 R529 M530 P531	T525-T527 WeakPolarHBondContact CB-OG1 3.41Å; T525-T527 VanDerWaalsContact CG2-OG1 3.31Å; T525-T527 WeakPolarHBondContact CG2-OG1 3.06Å; T525-T527 PolarHBondContact O-N 3.07Å; T527-R529 VanDerWaalsContact C-N 3.27Å; T527-R529 PolarHBondContact O-N 3.36Å; T527-M530 WeakPolarHBondContact O-CB 3.39Å; T527-M530 PolarHBondContact O-N 2.68Å; T527-P531 WeakPolarHBondContact O-CD 3.41Å
528	D	66.9	Low	67.9	Low	69 Å²	69	94.7 Å²	94.7	37%	0.369	49%	0.493	S	S	.	.	H	α-helix	trans	-69.3	-30	-174.8	-43.2	-10.6	0	0	0	111.2	K508 T525 C526	K508-D528 IonicContact NZ-OD2 3.43Å; K508-D528 PolarHBondContact NZ-OD2 3.42Å; T525-D528 PolarHBondContact N-OD2 2.97Å; T525-D528 PolarHBondContact O-N 2.85Å; T525-D528 VanDerWaalsContact O-N 3.13Å; T525-D528 PolarHBondContact OG1-OD2 2.74Å; C526-D528 VanDerWaalsContact C-N 3.32Å; C526-D528 PolarHBondContact O-N 3.23Å
529	R	71.6	Confident	70.2	Confident	46 Å²	46	87.9 Å²	87.9	17%	0.174	47%	0.465	C	S	.	.	H	α-helix	trans	-90.2	-21.7	178.7	-70.9	177.2	159	139.5	-11.2	113.6	Y501 L524 T525 C526 T527 A532 Y533 V612	Y501-R529 VanDerWaalsContact CE2-NH2 3.29Å; L524-R529 PolarHBondContact O-NH1 2.76Å; T525-R529 PolarHBondContact O-N 2.97Å; C526-R529 PolarHBondContact O-N 2.93Å; T527-R529 VanDerWaalsContact C-N 3.27Å; T527-R529 PolarHBondContact O-N 3.36Å; R529-A532 WeakPolarHBondContact O-CB 3.39Å; R529-A532 PolarHBondContact O-N 3.12Å; R529-Y533 HydrophobicContact CB-CD2 4Å; R529-Y533 HydrophobicContact CB-CE2 3.72Å; R529-Y533 VanDerWaalsContact O-CD2 3.32Å; R529-Y533 WeakPolarHBondContact O-CD2 3.44Å; R529-Y533 PolarHBondContact O-N 3.3Å; R529-V612 PolarHBondContact NH2-O 3.07Å
530	M	75.1	Confident	72.5	Confident	122 Å²	122	80.2 Å²	80.2	60%	0.601	42%	0.424	S	S	*	.	H	α-helix	trans	-51.9	-46.6	179.8	-159.6	66.1	169.4	0	0	113.8	C526 T527 A532 Y533 L534	C526-M530 PolarHBondContact O-N 3.29Å; T527-M530 WeakPolarHBondContact O-CB 3.39Å; T527-M530 PolarHBondContact O-N 2.68Å; M530-A532 PolarHBondContact O-N 3.24Å; M530-Y533 PolarHBondContact O-N 2.91Å; M530-L534 WeakPolarHBondContact O-CB 3.43Å; M530-L534 PolarHBondContact O-N 3.12Å
531	P	78.6	Confident	74.7	Confident	74 Å²	74	76 Å²	76	48%	0.481	41%	0.411	S	S	.	.	H	α-helix	trans	-64.4	-37.1	175.5	24.7	-34	0	0	0	112.5	T527 L534 T535	T527-P531 WeakPolarHBondContact O-CD 3.41Å; P531-L534 PolarHBondContact O-N 3.35Å; P531-T535 WeakPolarHBondContact O-CB 3.14Å; P531-T535 PolarHBondContact O-N 3.47Å; P531-T535 PolarHBondContact O-OG1 3.41Å
532	A	80.3	Confident	77	Confident	22 Å²	22	71.7 Å²	71.7	18%	0.182	39%	0.393	C	S	.	.	H	α-helix	trans	-66.6	-38.5	177.6	0	0	0	0	0	112.6	R529 M530 T536	R529-A532 WeakPolarHBondContact O-CB 3.39Å; R529-A532 PolarHBondContact O-N 3.12Å; M530-A532 PolarHBondContact O-N 3.24Å; A532-T536 WeakPolarHBondContact O-CB 3.4Å; A532-T536 PolarHBondContact O-N 3.35Å; A532-T536 PolarHBondContact O-OG1 3.04Å
533	Y	84.5	Confident	78.8	Confident	75 Å²	75	70.5 Å²	70.5	29%	0.294	39%	0.385	S	S	.	.	H	α-helix	trans	-67.8	-42.3	172.6	-71	-54.7	0	0	0	112.2	R529 M530 T536 V537 E611 R622	R529-Y533 HydrophobicContact CB-CD2 4Å; R529-Y533 HydrophobicContact CB-CE2 3.72Å; R529-Y533 VanDerWaalsContact O-CD2 3.32Å; R529-Y533 WeakPolarHBondContact O-CD2 3.44Å; R529-Y533 PolarHBondContact O-N 3.3Å; M530-Y533 PolarHBondContact O-N 2.91Å; Y533-T536 WeakPolarHBondContact O-CB 3.42Å; Y533-T536 PolarHBondContact O-N 2.82Å; Y533-V537 WeakPolarHBondContact O-CG2 3.46Å; Y533-V537 PolarHBondContact O-N 2.79Å; Y533-E611 HydrophobicContact CD1-CG 4.26Å; Y533-E611 HydrophobicContact CE1-CG 4.19Å; Y533-R622 PolarHBondContact OH-NH1 3.15Å; Y533-R622 PolarHBondContact OH-NH2 2.93Å
534	L	86.5	Confident	80.5	Confident	117 Å²	117	64.8 Å²	64.8	61%	0.613	36%	0.361	S	S	*	.	H	α-helix	trans	-62.3	-48.1	176.2	-178.3	61.8	0	0	0	111.4	M530 P531 T536 V537 V538	M530-L534 WeakPolarHBondContact O-CB 3.43Å; M530-L534 PolarHBondContact O-N 3.12Å; P531-L534 PolarHBondContact O-N 3.35Å; L534-T536 VanDerWaalsContact C-N 3.27Å; L534-T536 PolarHBondContact O-N 2.77Å; L534-V537 PolarHBondContact O-N 3.25Å; L534-V538 HydrophobicContact CD1-CG2 4.32Å; L534-V538 WeakPolarHBondContact O-CG2 3.31Å; L534-V538 PolarHBondContact O-N 2.93Å
535	T	85.7	Confident	82	Confident	65 Å²	65	69.8 Å²	69.8	40%	0.399	38%	0.382	S	S	.	.	H	α-helix	trans	-57.2	-41.2	173.3	-59.9	0	0	0	0	111.3	P531 M539	P531-T535 WeakPolarHBondContact O-CB 3.14Å; P531-T535 PolarHBondContact O-N 3.47Å; P531-T535 PolarHBondContact O-OG1 3.41Å; T535-M539 HydrophobicContact CG2-CG 4.16Å; T535-M539 VanDerWaalsContact O-CB 3.26Å; T535-M539 WeakPolarHBondContact O-CB 3.38Å; T535-M539 WeakPolarHBondContact O-CG 3.29Å; T535-M539 PolarHBondContact O-N 3.22Å
536	T	87.7	Confident	83.5	Confident	10 Å²	10	68.7 Å²	68.7	6%	0.061	37%	0.373	C	S	.	.	H	α-helix	trans	-61.3	-49.2	176.4	-65.7	0	0	0	0	111.9	A532 Y533 L534 M539 M540 L607 K626	A532-T536 WeakPolarHBondContact O-CB 3.4Å; A532-T536 PolarHBondContact O-N 3.35Å; A532-T536 PolarHBondContact O-OG1 3.04Å; Y533-T536 WeakPolarHBondContact O-CB 3.42Å; Y533-T536 PolarHBondContact O-N 2.82Å; L534-T536 VanDerWaalsContact C-N 3.27Å; L534-T536 PolarHBondContact O-N 2.77Å; T536-M539 PolarHBondContact O-N 3.24Å; T536-M540 HydrophobicContact CG2-CG 4.31Å; T536-M540 WeakPolarHBondContact O-CB 3.2Å; T536-M540 WeakPolarHBondContact O-CG 2.99Å; T536-M540 PolarHBondContact O-N 3.3Å; T536-L607 HydrophobicContact CG2-CD2 4.18Å; T536-L607 HydrophobicContact CG2-CG 4.44Å; T536-K626 HydrophobicContact CG2-CD 4.16Å
537	V	88.9	Confident	85	Confident	91 Å²	91	64.4 Å²	64.4	55%	0.552	34%	0.344	S	S	*	.	H	α-helix	trans	-62.9	-47.1	179.7	172.9	0	0	0	0	110.7	Y533 L534 M539 M540 S541	Y533-V537 WeakPolarHBondContact O-CG2 3.46Å; Y533-V537 PolarHBondContact O-N 2.79Å; L534-V537 PolarHBondContact O-N 3.25Å; V537-M539 PolarHBondContact O-N 3.47Å; V537-M540 PolarHBondContact O-N 2.98Å; V537-S541 WeakPolarHBondContact O-CB 3.2Å; V537-S541 PolarHBondContact O-N 2.84Å; V537-S541 PolarHBondContact O-OG 3.35Å; V537-S541 VanDerWaalsContact O-OG 3.07Å
538	V	91.1	Very high	86.2	Confident	84 Å²	84	64.8 Å²	64.8	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-59.6	-47.3	177.5	172	0	0	0	0	111.4	L534 S541 F542	L534-V538 HydrophobicContact CD1-CG2 4.32Å; L534-V538 WeakPolarHBondContact O-CG2 3.31Å; L534-V538 PolarHBondContact O-N 2.93Å; V538-S541 PolarHBondContact O-N 2.85Å; V538-F542 WeakPolarHBondContact O-CB 3.36Å; V538-F542 PolarHBondContact O-N 3.45Å
539	M	89.6	Confident	87.3	Confident	48 Å²	48	65.1 Å²	65.1	24%	0.236	34%	0.342	C	S	.	.	H	α-helix	trans	-66.9	-38.8	179.4	-72.5	-59.8	-62	0	0	112.6	T535 T536 V537 F542 M543 L607	T535-M539 HydrophobicContact CG2-CG 4.16Å; T535-M539 VanDerWaalsContact O-CB 3.26Å; T535-M539 WeakPolarHBondContact O-CB 3.38Å; T535-M539 WeakPolarHBondContact O-CG 3.29Å; T535-M539 PolarHBondContact O-N 3.22Å; T536-M539 PolarHBondContact O-N 3.24Å; V537-M539 PolarHBondContact O-N 3.47Å; M539-F542 HydrophobicContact CE-CD1 4.34Å; M539-F542 PolarHBondContact O-N 3.39Å; M539-M543 HydrophobicContact CE-CE 3.83Å; M539-M543 WeakPolarHBondContact O-CB 3.4Å; M539-M543 WeakPolarHBondContact O-CG 3.31Å; M539-M543 PolarHBondContact O-N 3.38Å; M539-L607 HydrophobicContact CB-CD1 4.18Å; M539-L607 HydrophobicContact CB-CD2 4.13Å
540	M	92.1	Very high	88.1	Confident	20 Å²	20	65.5 Å²	65.5	10%	0.099	35%	0.347	C	S	.	.	H	α-helix	trans	-62	-46.7	173.7	-73.7	-71.3	-62.4	0	0	111.2	T536 V537 F542 M543 I544 L607 K626 I629 L630	T536-M540 HydrophobicContact CG2-CG 4.31Å; T536-M540 WeakPolarHBondContact O-CB 3.2Å; T536-M540 WeakPolarHBondContact O-CG 2.99Å; T536-M540 PolarHBondContact O-N 3.3Å; V537-M540 PolarHBondContact O-N 2.98Å; M540-F542 PolarHBondContact O-N 2.95Å; M540-M543 PolarHBondContact O-N 2.96Å; M540-I544 WeakPolarHBondContact O-CG1 3.42Å; M540-I544 PolarHBondContact O-N 3.14Å; M540-L607 HydrophobicContact CG-CD2 3.9Å; M540-L607 HydrophobicContact SD-CD2 4.03Å; M540-K626 HydrophobicContact CE-CB 4.2Å; M540-K626 HydrophobicContact CE-CG 4.41Å; M540-K626 HydrophobicContact SD-CB 4.05Å; M540-K626 HydrophobicContact SD-CD 4.36Å; M540-K626 HydrophobicContact SD-CG 4.14Å; M540-I629 HydrophobicContact CE-CB 4.07Å; M540-I629 HydrophobicContact CE-CG2 3.99Å; M540-L630 HydrophobicContact CE-CD1 4.4Å; M540-L630 HydrophobicContact CE-CD2 3.99Å; M540-L630 HydrophobicContact CE-CG 3.83Å; M540-L630 HydrophobicContact SD-CD1 3.91Å; M540-L630 HydrophobicContact SD-CD2 4.14Å; M540-L630 HydrophobicContact SD-CG 3.99Å
541	S	91.8	Very high	88.6	Confident	68 Å²	68	60.2 Å²	60.2	48%	0.476	32%	0.323	S	S	.	.	H	α-helix	trans	-62.9	-39.5	176.8	-62.4	0	0	0	0	112.5	V537 V538 I544 F545	V537-S541 WeakPolarHBondContact O-CB 3.2Å; V537-S541 PolarHBondContact O-N 2.84Å; V537-S541 PolarHBondContact O-OG 3.35Å; V537-S541 VanDerWaalsContact O-OG 3.07Å; V538-S541 PolarHBondContact O-N 2.85Å; S541-I544 PolarHBondContact O-N 2.62Å; S541-F545 PolarHBondContact O-N 3.15Å
542	F	93.3	Very high	88.9	Confident	104 Å²	104	61.1 Å²	61.1	46%	0.456	32%	0.32	S	S	.	.	H	α-helix	trans	-65.9	-42.2	175.6	175.8	-116	0	0	0	112.4	V538 M539 M540 I544 F545 I546	V538-F542 WeakPolarHBondContact O-CB 3.36Å; V538-F542 PolarHBondContact O-N 3.45Å; M539-F542 HydrophobicContact CE-CD1 4.34Å; M539-F542 PolarHBondContact O-N 3.39Å; M540-F542 PolarHBondContact O-N 2.95Å; F542-I544 VanDerWaalsContact C-N 3.35Å; F542-I544 PolarHBondContact O-N 3.46Å; F542-F545 WeakPolarHBondContact O-CB 3.36Å; F542-F545 PolarHBondContact O-N 3.02Å; F542-I546 HydrophobicContact CD1-CD1 4.02Å; F542-I546 HydrophobicContact CE1-CD1 3.6Å; F542-I546 HydrophobicContact CE2-CD1 4.2Å; F542-I546 HydrophobicContact CE2-CG1 4.47Å; F542-I546 HydrophobicContact CG-CD1 4.48Å; F542-I546 HydrophobicContact CZ-CD1 3.71Å; F542-I546 HydrophobicContact CZ-CG1 4.42Å; F542-I546 WeakPolarHBondContact O-CG1 3.5Å; F542-I546 PolarHBondContact O-N 2.99Å
543	M	90.1	Very high	89.2	Confident	17 Å²	17	61.8 Å²	61.8	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-64.5	-38.1	174.8	-69.4	-67	146.7	0	0	112.3	M539 M540 I546 T547 Y600 I603 L630	M539-M543 HydrophobicContact CE-CE 3.83Å; M539-M543 WeakPolarHBondContact O-CB 3.4Å; M539-M543 WeakPolarHBondContact O-CG 3.31Å; M539-M543 PolarHBondContact O-N 3.38Å; M540-M543 PolarHBondContact O-N 2.96Å; M543-I546 HydrophobicContact CE-CD1 4.28Å; M543-I546 WeakPolarHBondContact O-CB 3.24Å; M543-I546 PolarHBondContact O-N 3.41Å; M543-I546 HydrophobicContact SD-CD1 4.21Å; M543-T547 PolarHBondContact O-N 2.99Å; M543-T547 VanDerWaalsContact O-N 3.13Å; M543-Y600 HydrophobicContact CB-CD1 4.34Å; M543-Y600 HydrophobicContact CB-CE1 3.92Å; M543-Y600 HydrophobicContact CG-CD1 4.5Å; M543-Y600 HydrophobicContact CG-CE1 4.29Å; M543-Y600 PolarHBondContact O-OH 2.66Å; M543-Y600 HydrophobicContact SD-CD1 4.17Å; M543-Y600 HydrophobicContact SD-CE1 3.77Å; M543-I603 HydrophobicContact CE-CD1 3.63Å; M543-I603 HydrophobicContact CG-CG2 4.44Å; M543-I603 HydrophobicContact SD-CD1 3.68Å; M543-L630 HydrophobicContact CB-CD2 3.72Å
544	I	92.2	Very high	89.1	Confident	44 Å²	44	59.2 Å²	59.2	23%	0.226	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-44.6	171.7	-72.9	167.4	0	0	0	110.7	M540 S541 F542 I546 T547 F548 I629 L630 V633	M540-I544 WeakPolarHBondContact O-CG1 3.42Å; M540-I544 PolarHBondContact O-N 3.14Å; S541-I544 PolarHBondContact O-N 2.62Å; F542-I544 VanDerWaalsContact C-N 3.35Å; F542-I544 PolarHBondContact O-N 3.46Å; I544-I546 VanDerWaalsContact C-N 3.29Å; I544-I546 PolarHBondContact O-N 3.07Å; I544-T547 PolarHBondContact O-N 2.97Å; I544-T547 VanDerWaalsContact O-N 3.11Å; I544-T547 PolarHBondContact O-OG1 3.34Å; I544-F548 HydrophobicContact CG2-CD2 4.17Å; I544-F548 HydrophobicContact CG2-CE2 3.61Å; I544-F548 VanDerWaalsContact O-CD2 3.28Å; I544-F548 WeakPolarHBondContact O-CD2 3.45Å; I544-F548 PolarHBondContact O-N 3.42Å; I544-I629 HydrophobicContact CD1-CG2 4.03Å; I544-L630 HydrophobicContact CG1-CD2 4.23Å; I544-V633 HydrophobicContact CG1-CG2 4.44Å; I544-V633 HydrophobicContact CG2-CG1 4.36Å
545	F	92.6	Very high	88.9	Confident	128 Å²	128	55 Å²	55	56%	0.561	30%	0.298	S	S	*	.	H	α-helix	trans	-59.7	-40	174.9	-179.7	-103.5	0	0	0	112.1	S541 F542 T547 F548 V549	S541-F545 PolarHBondContact O-N 3.15Å; F542-F545 WeakPolarHBondContact O-CB 3.36Å; F542-F545 PolarHBondContact O-N 3.02Å; F545-T547 VanDerWaalsContact C-N 3.35Å; F545-T547 PolarHBondContact O-N 3.34Å; F545-F548 PolarHBondContact O-N 3.2Å; F545-V549 HydrophobicContact CD1-CG2 4.05Å; F545-V549 HydrophobicContact CE1-CG2 3.61Å; F545-V549 HydrophobicContact CE2-CG2 4.29Å; F545-V549 HydrophobicContact CZ-CG2 3.74Å; F545-V549 WeakPolarHBondContact O-CG2 3.48Å; F545-V549 PolarHBondContact O-N 3.49Å
546	I	91.4	Very high	88.7	Confident	46 Å²	46	54.1 Å²	54.1	24%	0.236	29%	0.291	C	S	.	.	H	α-helix	trans	-59	-40.9	173.6	-72.5	167.6	0	0	0	112	F542 M543 I544 F548 V549 I550	F542-I546 HydrophobicContact CD1-CD1 4.02Å; F542-I546 HydrophobicContact CE1-CD1 3.6Å; F542-I546 HydrophobicContact CE2-CD1 4.2Å; F542-I546 HydrophobicContact CE2-CG1 4.47Å; F542-I546 HydrophobicContact CG-CD1 4.48Å; F542-I546 HydrophobicContact CZ-CD1 3.71Å; F542-I546 HydrophobicContact CZ-CG1 4.42Å; F542-I546 WeakPolarHBondContact O-CG1 3.5Å; F542-I546 PolarHBondContact O-N 2.99Å; M543-I546 HydrophobicContact CE-CD1 4.28Å; M543-I546 WeakPolarHBondContact O-CB 3.24Å; M543-I546 PolarHBondContact O-N 3.41Å; M543-I546 HydrophobicContact SD-CD1 4.21Å; I544-I546 VanDerWaalsContact C-N 3.29Å; I544-I546 PolarHBondContact O-N 3.07Å; I546-F548 VanDerWaalsContact C-N 3.29Å; I546-F548 PolarHBondContact O-N 3.37Å; I546-V549 PolarHBondContact O-N 3.46Å; I546-I550 HydrophobicContact CG2-CD1 3.55Å; I546-I550 HydrophobicContact CG2-CG1 4.21Å; I546-I550 WeakPolarHBondContact O-CG1 3.23Å; I546-I550 PolarHBondContact O-N 2.76Å
547	T	89.2	Confident	88.6	Confident	4 Å²	4	57.3 Å²	57.3	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-58.7	-41.7	176.6	65.7	0	0	0	0	112	M543 I544 F545 I550 A551 Y600 V633 N634	M543-T547 PolarHBondContact O-N 2.99Å; M543-T547 VanDerWaalsContact O-N 3.13Å; I544-T547 PolarHBondContact O-N 2.97Å; I544-T547 VanDerWaalsContact O-N 3.11Å; I544-T547 PolarHBondContact O-OG1 3.34Å; F545-T547 VanDerWaalsContact C-N 3.35Å; F545-T547 PolarHBondContact O-N 3.34Å; T547-I550 PolarHBondContact O-N 3.24Å; T547-A551 VanDerWaalsContact O-CB 3.3Å; T547-A551 WeakPolarHBondContact O-CB 3.38Å; T547-A551 PolarHBondContact O-N 2.94Å; T547-Y600 HydrophobicContact CG2-CE2 3.79Å; T547-Y600 WeakPolarHBondContact CG2-OH 3.34Å; T547-V633 HydrophobicContact CG2-CG1 4.26Å; T547-V633 VanDerWaalsContact OG1-CG1 3.23Å; T547-V633 WeakPolarHBondContact OG1-CG1 3.28Å; T547-N634 HydrophobicContact CG2-CB 4.43Å
548	F	90.1	Very high	88.2	Confident	106 Å²	106	54.6 Å²	54.6	47%	0.465	28%	0.282	S	S	.	.	H	α-helix	trans	-69	-41.9	179.2	-68.1	-60.4	0	0	0	111.7	I544 F545 I546 I550 A551 F552 V633 T637	I544-F548 HydrophobicContact CG2-CD2 4.17Å; I544-F548 HydrophobicContact CG2-CE2 3.61Å; I544-F548 VanDerWaalsContact O-CD2 3.28Å; I544-F548 WeakPolarHBondContact O-CD2 3.45Å; I544-F548 PolarHBondContact O-N 3.42Å; F545-F548 PolarHBondContact O-N 3.2Å; I546-F548 VanDerWaalsContact C-N 3.29Å; I546-F548 PolarHBondContact O-N 3.37Å; F548-I550 VanDerWaalsContact C-N 3.35Å; F548-I550 PolarHBondContact O-N 3.15Å; F548-A551 PolarHBondContact O-N 2.83Å; F548-F552 VanDerWaalsContact O-CB 3.24Å; F548-F552 WeakPolarHBondContact O-CB 3.43Å; F548-F552 PolarHBondContact O-N 3.33Å; F548-V633 HydrophobicContact CZ-CG1 4.35Å; F548-T637 HydrophobicContact CD1-CG2 3.6Å; F548-T637 HydrophobicContact CE1-CG2 3.76Å
549	V	90.8	Very high	87.5	Confident	76 Å²	76	51 Å²	51	46%	0.461	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-43	175.6	172.6	0	0	0	0	111.2	F545 I546 F552 G553	F545-V549 HydrophobicContact CD1-CG2 4.05Å; F545-V549 HydrophobicContact CE1-CG2 3.61Å; F545-V549 HydrophobicContact CE2-CG2 4.29Å; F545-V549 HydrophobicContact CZ-CG2 3.74Å; F545-V549 WeakPolarHBondContact O-CG2 3.48Å; F545-V549 PolarHBondContact O-N 3.49Å; I546-V549 PolarHBondContact O-N 3.46Å; V549-F552 PolarHBondContact O-N 3.45Å; V549-G553 PolarHBondContact O-N 3.29Å
550	I	88.4	Confident	87	Confident	55 Å²	55	50.5 Å²	50.5	28%	0.282	26%	0.261	S	S	.	.	H	α-helix	trans	-70.8	-43.6	179.9	-67.8	174.1	0	0	0	111.3	I546 T547 F548 F552 G553 V554 V592 L596	I546-I550 HydrophobicContact CG2-CD1 3.55Å; I546-I550 HydrophobicContact CG2-CG1 4.21Å; I546-I550 WeakPolarHBondContact O-CG1 3.23Å; I546-I550 PolarHBondContact O-N 2.76Å; T547-I550 PolarHBondContact O-N 3.24Å; F548-I550 VanDerWaalsContact C-N 3.35Å; F548-I550 PolarHBondContact O-N 3.15Å; I550-F552 VanDerWaalsContact C-N 3.3Å; I550-F552 PolarHBondContact O-N 3.39Å; I550-G553 WeakPolarHBondContact O-CA 3.49Å; I550-G553 PolarHBondContact O-N 2.99Å; I550-G553 VanDerWaalsContact O-N 3.07Å; I550-V554 PolarHBondContact O-N 3.39Å; I550-V592 HydrophobicContact CG2-CG1 3.44Å; I550-V592 VanDerWaalsContact CG2-CG1 3.44Å; I550-L596 HydrophobicContact CD1-CD1 3.93Å; I550-L596 HydrophobicContact CD1-CD2 3.86Å; I550-L596 HydrophobicContact CD1-CG 4.45Å; I550-L596 HydrophobicContact CG2-CD1 4.23Å
551	A	85.4	Confident	86.4	Confident	11 Å²	11	52.1 Å²	52.1	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-41.8	174.7	0	0	0	0	0	111.5	T547 F548 G553 V554 I555 T637	T547-A551 VanDerWaalsContact O-CB 3.3Å; T547-A551 WeakPolarHBondContact O-CB 3.38Å; T547-A551 PolarHBondContact O-N 2.94Å; F548-A551 PolarHBondContact O-N 2.83Å; A551-G553 VanDerWaalsContact C-N 3.35Å; A551-V554 PolarHBondContact O-N 3.3Å; A551-I555 WeakPolarHBondContact O-CD1 3.46Å; A551-I555 VanDerWaalsContact O-CG1 3.31Å; A551-I555 WeakPolarHBondContact O-CG1 3.31Å; A551-I555 PolarHBondContact O-N 2.98Å; A551-T637 HydrophobicContact CB-CG2 3.77Å
552	F	85.3	Confident	85.6	Confident	93 Å²	93	51 Å²	51	41%	0.408	26%	0.257	S	S	.	.	H	α-helix	trans	-63.1	-38.5	172.8	-169.7	-109.3	0	0	0	112.3	F548 V549 I550 I555 L556 V659	F548-F552 VanDerWaalsContact O-CB 3.24Å; F548-F552 WeakPolarHBondContact O-CB 3.43Å; F548-F552 PolarHBondContact O-N 3.33Å; V549-F552 PolarHBondContact O-N 3.45Å; I550-F552 VanDerWaalsContact C-N 3.3Å; I550-F552 PolarHBondContact O-N 3.39Å; F552-I555 WeakPolarHBondContact O-CB 3.43Å; F552-I555 PolarHBondContact O-N 3.01Å; F552-L556 HydrophobicContact CD1-CD1 3.91Å; F552-L556 HydrophobicContact CD1-CG 4.33Å; F552-L556 HydrophobicContact CE1-CD1 3.74Å; F552-L556 HydrophobicContact CE1-CG 4.18Å; F552-L556 WeakPolarHBondContact O-CG 3.43Å; F552-L556 PolarHBondContact O-N 3.12Å; F552-V659 HydrophobicContact CE1-CG1 4.43Å; F552-V659 HydrophobicContact CZ-CG1 3.69Å
553	G	86.4	Confident	84.6	Confident	35 Å²	35	48.6 Å²	48.6	36%	0.361	25%	0.25	S	S	.	.	H	α-helix	trans	-59.8	-42.4	171.3	0	0	0	0	0	113.6	V549 I550 A551 I555 L556 Y557	V549-G553 PolarHBondContact O-N 3.29Å; I550-G553 WeakPolarHBondContact O-CA 3.49Å; I550-G553 PolarHBondContact O-N 2.99Å; I550-G553 VanDerWaalsContact O-N 3.07Å; A551-G553 VanDerWaalsContact C-N 3.35Å; G553-I555 VanDerWaalsContact C-N 3.32Å; G553-I555 PolarHBondContact O-N 3.01Å; G553-L556 PolarHBondContact O-N 3.26Å; G553-Y557 WeakPolarHBondContact O-CB 3.35Å; G553-Y557 PolarHBondContact O-N 3.18Å
554	V	83.2	Confident	83.9	Confident	21 Å²	21	50.4 Å²	50.4	13%	0.127	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-35.6	174.5	176	0	0	0	0	111.5	I550 A551 R558 N589	I550-V554 PolarHBondContact O-N 3.39Å; A551-V554 PolarHBondContact O-N 3.3Å; V554-R558 WeakPolarHBondContact O-CB 3.33Å; V554-R558 PolarHBondContact O-N 3.14Å; V554-N589 HydrophobicContact CG1-CB 4.3Å
555	I	81.2	Confident	83	Confident	28 Å²	28	50 Å²	50	14%	0.144	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-44.8	173.8	-67.4	156	0	0	0	111	A551 F552 G553 R558 I559 Y641	A551-I555 WeakPolarHBondContact O-CD1 3.46Å; A551-I555 VanDerWaalsContact O-CG1 3.31Å; A551-I555 WeakPolarHBondContact O-CG1 3.31Å; A551-I555 PolarHBondContact O-N 2.98Å; F552-I555 WeakPolarHBondContact O-CB 3.43Å; F552-I555 PolarHBondContact O-N 3.01Å; G553-I555 VanDerWaalsContact C-N 3.32Å; G553-I555 PolarHBondContact O-N 3.01Å; I555-R558 WeakPolarHBondContact O-CB 3.46Å; I555-R558 PolarHBondContact O-N 3.25Å; I555-I559 HydrophobicContact CG2-CD1 4.03Å; I555-I559 WeakPolarHBondContact O-CG1 3.48Å; I555-I559 PolarHBondContact O-N 3.32Å; I555-Y641 HydrophobicContact CD1-CD1 3.5Å; I555-Y641 VanDerWaalsContact CD1-CD1 3.5Å; I555-Y641 HydrophobicContact CD1-CD2 3.72Å; I555-Y641 HydrophobicContact CD1-CE1 3.48Å; I555-Y641 VanDerWaalsContact CD1-CE1 3.48Å; I555-Y641 HydrophobicContact CD1-CE2 3.71Å; I555-Y641 HydrophobicContact CD1-CG 3.62Å; I555-Y641 HydrophobicContact CG1-CD1 4.04Å; I555-Y641 HydrophobicContact CG1-CE1 3.76Å; I555-Y641 HydrophobicContact CG2-CE1 4.29Å
556	L	82.4	Confident	81.9	Confident	48 Å²	48	46.1 Å²	46.1	25%	0.251	25%	0.249	S	C	.	.	H	α-helix	trans	-63.1	-41.6	175.4	-70.8	176.3	0	0	0	112.2	F552 G553 R558 I559 S560 V659	F552-L556 HydrophobicContact CD1-CD1 3.91Å; F552-L556 HydrophobicContact CD1-CG 4.33Å; F552-L556 HydrophobicContact CE1-CD1 3.74Å; F552-L556 HydrophobicContact CE1-CG 4.18Å; F552-L556 WeakPolarHBondContact O-CG 3.43Å; F552-L556 PolarHBondContact O-N 3.12Å; G553-L556 PolarHBondContact O-N 3.26Å; L556-R558 VanDerWaalsContact C-N 3.33Å; L556-R558 PolarHBondContact O-N 3.45Å; L556-I559 PolarHBondContact O-N 3.37Å; L556-S560 PolarHBondContact O-N 3.36Å; L556-S560 PolarHBondContact O-OG 3.16Å; L556-V659 HydrophobicContact CD2-CG1 3.91Å
557	Y	84.8	Confident	80.9	Confident	76 Å²	76	49.7 Å²	49.7	30%	0.298	27%	0.269	S	S	.	.	H	α-helix	trans	-57	-45.2	171.7	165.4	-91.5	0	0	0	111.8	G553 I559 S560 I561 I588	G553-Y557 WeakPolarHBondContact O-CB 3.35Å; G553-Y557 PolarHBondContact O-N 3.18Å; Y557-I559 VanDerWaalsContact C-N 3.32Å; Y557-I559 PolarHBondContact O-N 3.08Å; Y557-S560 PolarHBondContact O-N 2.7Å; Y557-S560 PolarHBondContact O-OG 3.42Å; Y557-I561 HydrophobicContact CD2-CG1 3.88Å; Y557-I561 HydrophobicContact CE1-CG1 4.27Å; Y557-I561 HydrophobicContact CE2-CD1 4.03Å; Y557-I561 HydrophobicContact CE2-CG1 3.46Å; Y557-I561 VanDerWaalsContact CE2-CG1 3.46Å; Y557-I561 HydrophobicContact CG-CG1 4.45Å; Y557-I561 WeakPolarHBondContact O-CB 3.29Å; Y557-I561 WeakPolarHBondContact O-CG1 3.4Å; Y557-I561 PolarHBondContact O-N 2.87Å; Y557-I588 HydrophobicContact CD1-CD1 4.32Å; Y557-I588 HydrophobicContact CE1-CD1 3.5Å; Y557-I588 VanDerWaalsContact CE1-CD1 3.5Å; Y557-I588 HydrophobicContact CE2-CD1 4.12Å; Y557-I588 WeakPolarHBondContact OH-CD1 3.46Å
558	R	80.1	Confident	79.9	Confident	35 Å²	35	51.5 Å²	51.5	13%	0.132	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-39	177.9	178.8	175.8	163	140.4	9	111.8	V554 I555 L556 K562 V581 A585 R646 E666 E676	V554-R558 WeakPolarHBondContact O-CB 3.33Å; V554-R558 PolarHBondContact O-N 3.14Å; I555-R558 WeakPolarHBondContact O-CB 3.46Å; I555-R558 PolarHBondContact O-N 3.25Å; L556-R558 VanDerWaalsContact C-N 3.33Å; L556-R558 PolarHBondContact O-N 3.45Å; R558-K562 VanDerWaalsContact O-CB 3.24Å; R558-K562 WeakPolarHBondContact O-CB 3.32Å; R558-K562 PolarHBondContact O-N 2.94Å; R558-V581 HydrophobicContact CG-CG1 3.85Å; R558-A585 HydrophobicContact CB-CB 4.27Å; R558-A585 HydrophobicContact CG-CB 4.32Å; R558-R646 VanDerWaalsContact CZ-NH1 3.29Å; R558-E666 IonicContact CZ-OE2 2.61Å; R558-E666 VanDerWaalsContact CZ-OE2 3.26Å; R558-E666 IonicContact NE-OE2 3.75Å; R558-E666 PolarHBondContact NE-OE2 2.92Å; R558-E666 IonicContact NH2-OE2 2.84Å; R558-E666 PolarHBondContact NH2-OE2 3.49Å; R558-E666 VanDerWaalsContact NH2-OE2 3.08Å; R558-E676 IonicContact CZ-OE2 3.26Å; R558-E676 IonicContact NH1-OE2 2.74Å; R558-E676 PolarHBondContact NH1-OE2 2.96Å; R558-E676 VanDerWaalsContact NH1-OE2 3.09Å; R558-E676 IonicContact NH2-OE1 3.52Å; R558-E676 IonicContact NH2-OE2 3.08Å; R558-E676 PolarHBondContact NH2-OE2 3.4Å
559	I	76.8	Confident	78.7	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.036	30%	0.301	C	S	.	.	H	α-helix	trans	-68.4	-46.9	176.8	-65.5	162.5	0	0	0	111	I555 L556 Y557 K562 T563 Y663 E666	I555-I559 HydrophobicContact CG2-CD1 4.03Å; I555-I559 WeakPolarHBondContact O-CG1 3.48Å; I555-I559 PolarHBondContact O-N 3.32Å; L556-I559 PolarHBondContact O-N 3.37Å; Y557-I559 VanDerWaalsContact C-N 3.32Å; Y557-I559 PolarHBondContact O-N 3.08Å; I559-K562 WeakPolarHBondContact O-CB 3.28Å; I559-K562 PolarHBondContact O-N 2.8Å; I559-T563 PolarHBondContact O-N 2.9Å; I559-T563 PolarHBondContact O-OG1 3.31Å; I559-Y663 HydrophobicContact CG2-CD1 4.13Å; I559-Y663 HydrophobicContact CG2-CG 4.42Å; I559-E666 HydrophobicContact CD1-CG 4.48Å; I559-E666 HydrophobicContact CG1-CG 3.78Å
560	S	79.5	Confident	77.9	Confident	39 Å²	39	57.1 Å²	57.1	27%	0.273	31%	0.308	S	S	.	.	H	α-helix	trans	-70.8	-37.5	-175.7	64.7	0	0	0	0	113.4	L556 Y557 T563 A564	L556-S560 PolarHBondContact O-N 3.36Å; L556-S560 PolarHBondContact O-OG 3.16Å; Y557-S560 PolarHBondContact O-N 2.7Å; Y557-S560 PolarHBondContact O-OG 3.42Å; S560-T563 PolarHBondContact O-N 3.44Å; S560-T563 PolarHBondContact O-OG1 2.87Å; S560-T563 VanDerWaalsContact O-OG1 3.08Å; S560-A564 VanDerWaalsContact O-CB 3.25Å; S560-A564 WeakPolarHBondContact O-CB 3.3Å; S560-A564 PolarHBondContact O-N 2.81Å
561	I	79.6	Confident	76.9	Confident	54 Å²	54	59.4 Å²	59.4	28%	0.277	33%	0.326	S	S	.	.	H	α-helix	trans	-69.5	-34.6	173.3	-62.9	-61.4	0	0	0	111.2	Y557 L565 V581	Y557-I561 HydrophobicContact CD2-CG1 3.88Å; Y557-I561 HydrophobicContact CE1-CG1 4.27Å; Y557-I561 HydrophobicContact CE2-CD1 4.03Å; Y557-I561 HydrophobicContact CE2-CG1 3.46Å; Y557-I561 VanDerWaalsContact CE2-CG1 3.46Å; Y557-I561 HydrophobicContact CG-CG1 4.45Å; Y557-I561 WeakPolarHBondContact O-CB 3.29Å; Y557-I561 WeakPolarHBondContact O-CG1 3.4Å; Y557-I561 PolarHBondContact O-N 2.87Å; I561-L565 HydrophobicContact CG2-CD1 3.74Å; I561-L565 HydrophobicContact CG2-CG 4.21Å; I561-L565 WeakPolarHBondContact O-CB 3.13Å; I561-L565 VanDerWaalsContact O-CG 3.28Å; I561-L565 WeakPolarHBondContact O-CG 3.42Å; I561-L565 PolarHBondContact O-N 3.48Å; I561-V581 HydrophobicContact CG2-CG2 4.26Å
562	K	74.3	Confident	75.8	Confident	45 Å²	45	61.2 Å²	61.2	20%	0.196	34%	0.342	C	S	.	.	H	α-helix	trans	-61.8	-48.1	173.6	179	-173.3	174	-166.6	0	111.6	R558 I559 L565 H566 V581 E666	R558-K562 VanDerWaalsContact O-CB 3.24Å; R558-K562 WeakPolarHBondContact O-CB 3.32Å; R558-K562 PolarHBondContact O-N 2.94Å; I559-K562 WeakPolarHBondContact O-CB 3.28Å; I559-K562 PolarHBondContact O-N 2.8Å; K562-L565 PolarHBondContact O-N 3.11Å; K562-H566 PolarHBondContact O-CD2 3.05Å; K562-H566 PolarHBondContact O-N 3.04Å; K562-H566 VanDerWaalsContact O-N 3.07Å; K562-V581 HydrophobicContact CB-CG1 4.39Å; K562-V581 HydrophobicContact CB-CG2 4.45Å; K562-E666 WeakPolarHBondContact CD-OE1 3.4Å; K562-E666 WeakPolarHBondContact CE-OE1 3.46Å; K562-E666 IonicContact NZ-OE1 2.71Å; K562-E666 PolarHBondContact NZ-OE1 3.15Å
563	T	73.1	Confident	74.6	Confident	52 Å²	52	57.9 Å²	57.9	32%	0.319	33%	0.331	S	S	.	.	H	α-helix	trans	-67.2	-42.7	177.8	54.1	0	0	0	0	111.8	I559 S560 L565 H566 L567	I559-T563 PolarHBondContact O-N 2.9Å; I559-T563 PolarHBondContact O-OG1 3.31Å; S560-T563 PolarHBondContact O-N 3.44Å; S560-T563 PolarHBondContact O-OG1 2.87Å; S560-T563 VanDerWaalsContact O-OG1 3.08Å; T563-L565 VanDerWaalsContact C-N 3.33Å; T563-L565 PolarHBondContact O-N 2.86Å; T563-H566 PolarHBondContact O-N 3.04Å; T563-H566 VanDerWaalsContact O-N 3.15Å; T563-L567 WeakPolarHBondContact O-CG 3.24Å; T563-L567 PolarHBondContact O-N 3.16Å
564	A	75.2	Confident	73.6	Confident	55 Å²	55	63.1 Å²	63.1	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-59.9	-38.9	176.4	0	0	0	0	0	113.2	S560 L567 S568	S560-A564 VanDerWaalsContact O-CB 3.25Å; S560-A564 WeakPolarHBondContact O-CB 3.3Å; S560-A564 PolarHBondContact O-N 2.81Å; A564-L567 CarbonylContact O-C 3.57Å; A564-L567 PolarHBondContact O-N 3.03Å; A564-S568 PolarHBondContact O-N 3.21Å; A564-S568 VanDerWaalsContact O-N 3.1Å
565	L	73.8	Confident	72.9	Confident	36 Å²	36	66.3 Å²	66.3	19%	0.188	36%	0.363	C	S	.	.	H	α-helix	trans	-73.9	-29.8	175.6	-72.5	171.8	0	0	0	113.2	I561 K562 T563 L567 S568 A573 I577 V581	I561-L565 HydrophobicContact CG2-CD1 3.74Å; I561-L565 HydrophobicContact CG2-CG 4.21Å; I561-L565 WeakPolarHBondContact O-CB 3.13Å; I561-L565 VanDerWaalsContact O-CG 3.28Å; I561-L565 WeakPolarHBondContact O-CG 3.42Å; I561-L565 PolarHBondContact O-N 3.48Å; K562-L565 PolarHBondContact O-N 3.11Å; T563-L565 VanDerWaalsContact C-N 3.33Å; T563-L565 PolarHBondContact O-N 2.86Å; L565-L567 VanDerWaalsContact C-N 3.31Å; L565-S568 WeakPolarHBondContact O-CB 3.24Å; L565-S568 PolarHBondContact O-N 3.3Å; L565-A573 HydrophobicContact CD2-CB 4.25Å; L565-I577 HydrophobicContact CB-CD1 4.19Å; L565-I577 HydrophobicContact CB-CG1 4.06Å; L565-I577 HydrophobicContact CB-CG2 3.86Å; L565-I577 HydrophobicContact CD1-CG2 4.17Å; L565-I577 WeakPolarHBondContact O-CD1 3.29Å; L565-V581 HydrophobicContact CD1-CG2 3.61Å
566	H	68.4	Low	72.2	Confident	46 Å²	46	69.3 Å²	69.3	21%	0.213	38%	0.379	C	S	.	.	H	α-helix	trans	-69.4	-29.3	170.7	-93.9	-94.5	0	0	0	112.8	A427 C428 K562 T563	A427-H566 HydrophobicContact CB-CB 4.03Å; A427-H566 PolarHBondContact O-ND1 2.79Å; C428-H566 PolarHBondContact SG-CE1 2.97Å; K562-H566 PolarHBondContact O-CD2 3.05Å; K562-H566 PolarHBondContact O-N 3.04Å; K562-H566 VanDerWaalsContact O-N 3.07Å; T563-H566 PolarHBondContact O-N 3.04Å; T563-H566 VanDerWaalsContact O-N 3.15Å
567	L	70.1	Confident	71.7	Confident	122 Å²	122	67.5 Å²	67.5	64%	0.639	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-4.1	173.6	-68	165.4	0	0	0	113.4	A427 T563 A564 L565	A427-L567 HydrophobicContact CB-CD2 4.27Å; T563-L567 WeakPolarHBondContact O-CG 3.24Å; T563-L567 PolarHBondContact O-N 3.16Å; A564-L567 CarbonylContact O-C 3.57Å; A564-L567 PolarHBondContact O-N 3.03Å; L565-L567 VanDerWaalsContact C-N 3.31Å
568	S	69.7	Low	71	Confident	42 Å²	42	71.6 Å²	71.6	29%	0.294	39%	0.385	S	S	.	.			trans	-75.6	130.7	-176.3	-172.7	0	0	0	0	112.2	A564 L565 Y570	A564-S568 PolarHBondContact O-N 3.21Å; A564-S568 VanDerWaalsContact O-N 3.1Å; L565-S568 WeakPolarHBondContact O-CB 3.24Å; L565-S568 PolarHBondContact O-N 3.3Å; S568-Y570 PolarHBondContact O-N 2.82Å
569	T	64.8	Low	70.7	Confident	142 Å²	142	72.6 Å²	72.6	87%	0.871	40%	0.401	S	S	*	.			trans	-68.3	-12.1	176.6	-23.1	0	0	0	0	113.8	P571	T569-P571 WeakPolarHBondContact O-CD 3.27Å
570	Y	72.8	Confident	70.8	Confident	158 Å²	158	75.4 Å²	75.4	62%	0.62	42%	0.419	S	S	*	.			trans	-86.2	114.4	-171.9	-169.9	-113.9	0	0	0	112.5	S568 A572 A573 R574	S568-Y570 PolarHBondContact O-N 2.82Å; Y570-A572 HydrophobicContact CD1-CB 4.32Å; Y570-A572 HydrophobicContact CE1-CB 3.76Å; Y570-A572 PolarHBondContact O-N 2.76Å; Y570-A573 HydrophobicContact CD1-CB 3.97Å; Y570-A573 WeakPolarHBondContact O-CB 3.33Å; Y570-A573 PolarHBondContact O-N 2.79Å; Y570-A573 VanDerWaalsContact O-N 3.11Å; Y570-R574 PolarHBondContact O-N 2.76Å
571	P	67.1	Low	70.9	Confident	102 Å²	102	74 Å²	74	66%	0.662	41%	0.408	S	S	*	.	H	α-helix	trans	-61.6	-38.7	-168.8	-26.2	35.6	0	0	0	114.8	T569 A573 R574 S575	T569-P571 WeakPolarHBondContact O-CD 3.27Å; P571-A573 VanDerWaalsContact C-N 3.3Å; P571-A573 PolarHBondContact O-N 2.84Å; P571-R574 WeakPolarHBondContact O-CB 3.49Å; P571-R574 PolarHBondContact O-N 3.4Å; P571-S575 PolarHBondContact O-N 3.34Å; P571-S575 VanDerWaalsContact O-N 3.15Å
572	A	62.5	Low	70.7	Confident	50 Å²	50	74.2 Å²	74.2	41%	0.413	41%	0.407	S	S	.	.	H	α-helix	trans	-75.9	-16.1	-179	0	0	0	0	0	113.7	Y570 S575 N576	Y570-A572 HydrophobicContact CD1-CB 4.32Å; Y570-A572 HydrophobicContact CE1-CB 3.76Å; Y570-A572 PolarHBondContact O-N 2.76Å; A572-S575 PolarHBondContact O-OG 2.96Å; A572-N576 PolarHBondContact O-ND2 2.92Å
573	A	61.2	Low	70.9	Confident	22 Å²	22	75.9 Å²	75.9	18%	0.182	42%	0.421	C	S	.	.	H	α-helix	trans	-73.7	-41.7	163.6	0	0	0	0	0	110.2	L565 Y570 P571 S575 N576 I577	L565-A573 HydrophobicContact CD2-CB 4.25Å; Y570-A573 HydrophobicContact CD1-CB 3.97Å; Y570-A573 WeakPolarHBondContact O-CB 3.33Å; Y570-A573 PolarHBondContact O-N 2.79Å; Y570-A573 VanDerWaalsContact O-N 3.11Å; P571-A573 VanDerWaalsContact C-N 3.3Å; P571-A573 PolarHBondContact O-N 2.84Å; A573-S575 PolarHBondContact O-N 2.79Å; A573-N576 PolarHBondContact O-N 3.34Å; A573-I577 WeakPolarHBondContact O-CG1 3.35Å; A573-I577 PolarHBondContact O-N 3.44Å; A573-I577 VanDerWaalsContact O-N 3.1Å
574	R	64.9	Low	71.4	Confident	145 Å²	145	75.6 Å²	75.6	55%	0.547	42%	0.419	S	S	.	.	H	α-helix	trans	-65.8	-31.2	-176.4	-158	176.6	-170.9	-170	3.1	114.1	Y570 P571 I577	Y570-R574 PolarHBondContact O-N 2.76Å; P571-R574 WeakPolarHBondContact O-CB 3.49Å; P571-R574 PolarHBondContact O-N 3.4Å; R574-I577 HydrophobicContact CG-CD1 4.27Å
575	S	67.6	Low	71.7	Confident	89 Å²	89	73.3 Å²	73.3	62%	0.622	40%	0.401	S	S	*	.	H	α-helix	trans	-72.1	-37.1	174.1	55.4	0	0	0	0	113.3	P571 A572 A573	P571-S575 PolarHBondContact O-N 3.34Å; P571-S575 VanDerWaalsContact O-N 3.15Å; A572-S575 PolarHBondContact O-OG 2.96Å; A573-S575 PolarHBondContact O-N 2.79Å
576	N	67.6	Low	71.9	Confident	90 Å²	90	71.8 Å²	71.8	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-100.5	-1.3	-170.5	-72.6	-60.9	0	0	0	115.4	A572 A573 R578 A579 T580	A572-N576 PolarHBondContact O-ND2 2.92Å; A573-N576 PolarHBondContact O-N 3.34Å; N576-R578 VanDerWaalsContact C-N 3.27Å; N576-R578 PolarHBondContact O-N 3.31Å; N576-A579 PolarHBondContact O-N 2.93Å; N576-T580 PolarHBondContact O-N 3.33Å; N576-T580 PolarHBondContact O-OG1 2.8Å
577	I	71	Confident	72.6	Confident	11 Å²	11	74 Å²	74	6%	0.056	41%	0.405	C	S	.	.	H	α-helix	trans	-39.4	-53.3	-175.3	-52.4	179.3	0	0	0	112.6	L565 A573 R574 A579 T580 V581	L565-I577 HydrophobicContact CB-CD1 4.19Å; L565-I577 HydrophobicContact CB-CG1 4.06Å; L565-I577 HydrophobicContact CB-CG2 3.86Å; L565-I577 HydrophobicContact CD1-CG2 4.17Å; L565-I577 WeakPolarHBondContact O-CD1 3.29Å; A573-I577 WeakPolarHBondContact O-CG1 3.35Å; A573-I577 PolarHBondContact O-N 3.44Å; A573-I577 VanDerWaalsContact O-N 3.1Å; R574-I577 HydrophobicContact CG-CD1 4.27Å; I577-A579 VanDerWaalsContact C-N 3.27Å; I577-A579 PolarHBondContact O-N 3.28Å; I577-T580 PolarHBondContact O-N 2.62Å; I577-V581 HydrophobicContact CG2-CG2 3.8Å; I577-V581 WeakPolarHBondContact O-CB 3.41Å; I577-V581 VanDerWaalsContact O-CG2 3.26Å; I577-V581 WeakPolarHBondContact O-CG2 3.31Å; I577-V581 PolarHBondContact O-N 3.46Å
578	R	70.8	Confident	73.3	Confident	161 Å²	161	70.8 Å²	70.8	61%	0.608	39%	0.388	S	S	*	.	H	α-helix	trans	-64.5	-29.6	-172.4	-171.8	-179.5	-69.8	-178.6	-0.2	113	N576 K582	N576-R578 VanDerWaalsContact C-N 3.27Å; N576-R578 PolarHBondContact O-N 3.31Å; R578-K582 VanDerWaalsContact O-CD 3.28Å; R578-K582 WeakPolarHBondContact O-CD 3.5Å; R578-K582 WeakPolarHBondContact O-CG 3.32Å
579	A	74.1	Confident	73.9	Confident	56 Å²	56	69.2 Å²	69.2	46%	0.463	38%	0.377	S	S	.	.	H	α-helix	trans	-80.3	-53.6	173.7	0	0	0	0	0	110.3	N576 I577 V581 K582 T583	N576-A579 PolarHBondContact O-N 2.93Å; I577-A579 VanDerWaalsContact C-N 3.27Å; I577-A579 PolarHBondContact O-N 3.28Å; A579-V581 PolarHBondContact O-N 3.27Å; A579-K582 PolarHBondContact O-N 3.31Å; A579-K582 VanDerWaalsContact O-N 3.15Å; A579-T583 PolarHBondContact O-N 3.36Å; A579-T583 PolarHBondContact O-OG1 3.45Å
580	T	79.4	Confident	74.8	Confident	67 Å²	67	63 Å²	63	41%	0.411	34%	0.339	S	S	.	.	H	α-helix	trans	-55.1	-50.7	-177.1	-53.3	0	0	0	0	112.2	N576 I577 K582 T583 T584	N576-T580 PolarHBondContact O-N 3.33Å; N576-T580 PolarHBondContact O-OG1 2.8Å; I577-T580 PolarHBondContact O-N 2.62Å; T580-K582 VanDerWaalsContact C-N 3.31Å; T580-K582 PolarHBondContact O-N 2.84Å; T580-T583 PolarHBondContact O-N 3.49Å; T580-T584 HydrophobicContact CG2-CG2 4.31Å; T580-T584 WeakPolarHBondContact O-CG2 3.28Å; T580-T584 PolarHBondContact O-N 3.08Å; T580-T584 PolarHBondContact O-OG1 3.41Å; T580-T584 VanDerWaalsContact O-OG1 3.09Å
581	V	80.5	Confident	75.3	Confident	8 Å²	8	59.8 Å²	59.8	5%	0.048	33%	0.331	C	S	.	.	H	α-helix	trans	-60.2	-39.1	-179.9	172.5	0	0	0	0	112.2	R558 I561 K562 L565 I577 A579 T584 A585	R558-V581 HydrophobicContact CG-CG1 3.85Å; I561-V581 HydrophobicContact CG2-CG2 4.26Å; K562-V581 HydrophobicContact CB-CG1 4.39Å; K562-V581 HydrophobicContact CB-CG2 4.45Å; L565-V581 HydrophobicContact CD1-CG2 3.61Å; I577-V581 HydrophobicContact CG2-CG2 3.8Å; I577-V581 WeakPolarHBondContact O-CB 3.41Å; I577-V581 VanDerWaalsContact O-CG2 3.26Å; I577-V581 WeakPolarHBondContact O-CG2 3.31Å; I577-V581 PolarHBondContact O-N 3.46Å; A579-V581 PolarHBondContact O-N 3.27Å; V581-T584 PolarHBondContact O-OG1 2.81Å; V581-A585 WeakPolarHBondContact O-CB 3.47Å; V581-A585 PolarHBondContact O-N 2.86Å; V581-A585 VanDerWaalsContact O-N 3.14Å
582	K	76.9	Confident	76.2	Confident	59 Å²	59	56.7 Å²	56.7	26%	0.257	31%	0.31	S	S	.	.	H	α-helix	trans	-68.5	-47.7	179	-73.6	-179.8	-178.6	-165	0	111	R578 A579 T580 A586 E676	R578-K582 VanDerWaalsContact O-CD 3.28Å; R578-K582 WeakPolarHBondContact O-CD 3.5Å; R578-K582 WeakPolarHBondContact O-CG 3.32Å; A579-K582 PolarHBondContact O-N 3.31Å; A579-K582 VanDerWaalsContact O-N 3.15Å; T580-K582 VanDerWaalsContact C-N 3.31Å; T580-K582 PolarHBondContact O-N 2.84Å; K582-A586 VanDerWaalsContact O-CB 3.25Å; K582-A586 WeakPolarHBondContact O-CB 3.49Å; K582-A586 PolarHBondContact O-N 3.28Å; K582-E676 WeakPolarHBondContact CE-OE1 3.5Å; K582-E676 IonicContact NZ-OE1 3.68Å; K582-E676 PolarHBondContact NZ-OE1 2.98Å; K582-E676 IonicContact NZ-OE2 3.72Å
583	T	78.4	Confident	77.3	Confident	80 Å²	80	54.8 Å²	54.8	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-66.6	-45.1	-177.9	-57.1	0	0	0	0	111.7	A579 T580 A586 I587	A579-T583 PolarHBondContact O-N 3.36Å; A579-T583 PolarHBondContact O-OG1 3.45Å; T580-T583 PolarHBondContact O-N 3.49Å; T583-A586 PolarHBondContact O-N 3.35Å; T583-I587 HydrophobicContact CG2-CD1 3.86Å; T583-I587 VanDerWaalsContact O-CG1 3.27Å; T583-I587 WeakPolarHBondContact O-CG1 3.46Å; T583-I587 PolarHBondContact O-N 3.44Å
584	T	83.5	Confident	78.4	Confident	47 Å²	47	55.1 Å²	55.1	29%	0.288	29%	0.291	S	S	.	.	H	α-helix	trans	-66.6	-43.9	178.4	58.5	0	0	0	0	112.1	T580 V581 A586 I587 I588	T580-T584 HydrophobicContact CG2-CG2 4.31Å; T580-T584 WeakPolarHBondContact O-CG2 3.28Å; T580-T584 PolarHBondContact O-N 3.08Å; T580-T584 PolarHBondContact O-OG1 3.41Å; T580-T584 VanDerWaalsContact O-OG1 3.09Å; V581-T584 PolarHBondContact O-OG1 2.81Å; T584-A586 VanDerWaalsContact C-N 3.34Å; T584-A586 PolarHBondContact O-N 2.79Å; T584-I587 PolarHBondContact O-N 3.48Å; T584-I588 WeakPolarHBondContact O-CB 3.29Å; T584-I588 VanDerWaalsContact O-CG1 3.31Å; T584-I588 WeakPolarHBondContact O-CG1 3.46Å; T584-I588 PolarHBondContact O-N 3.33Å
585	A	81.4	Confident	79.5	Confident	7 Å²	7	52.9 Å²	52.9	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-39.6	176.8	0	0	0	0	0	112.1	R558 V581 N589	R558-A585 HydrophobicContact CB-CB 4.27Å; R558-A585 HydrophobicContact CG-CB 4.32Å; V581-A585 WeakPolarHBondContact O-CB 3.47Å; V581-A585 PolarHBondContact O-N 2.86Å; V581-A585 VanDerWaalsContact O-N 3.14Å; A585-N589 VanDerWaalsContact O-CB 3.28Å; A585-N589 WeakPolarHBondContact O-CB 3.32Å; A585-N589 PolarHBondContact O-N 3.33Å
586	A	78.1	Confident	80.5	Confident	4 Å²	4	49.4 Å²	49.4	3%	0.033	26%	0.264	C	S	.	.	H	α-helix	trans	-66.5	-42	177.1	0	0	0	0	0	112.4	K582 T583 T584 N589 V590 I683	K582-A586 VanDerWaalsContact O-CB 3.25Å; K582-A586 WeakPolarHBondContact O-CB 3.49Å; K582-A586 PolarHBondContact O-N 3.28Å; T583-A586 PolarHBondContact O-N 3.35Å; T584-A586 VanDerWaalsContact C-N 3.34Å; T584-A586 PolarHBondContact O-N 2.79Å; A586-N589 PolarHBondContact O-N 2.84Å; A586-V590 WeakPolarHBondContact O-CG2 3.43Å; A586-V590 PolarHBondContact O-N 3.45Å; A586-I683 HydrophobicContact CB-CD1 3.82Å; A586-I683 HydrophobicContact CB-CG2 4.18Å
587	I	81.5	Confident	81.5	Confident	91 Å²	91	45.2 Å²	45.2	47%	0.467	24%	0.241	S	C	.	.	H	α-helix	trans	-63.2	-47	175.3	-70.1	166.5	0	0	0	110.9	T583 T584 N589 V590 I591	T583-I587 HydrophobicContact CG2-CD1 3.86Å; T583-I587 VanDerWaalsContact O-CG1 3.27Å; T583-I587 WeakPolarHBondContact O-CG1 3.46Å; T583-I587 PolarHBondContact O-N 3.44Å; T584-I587 PolarHBondContact O-N 3.48Å; I587-N589 VanDerWaalsContact C-N 3.33Å; I587-N589 PolarHBondContact O-N 3.12Å; I587-V590 PolarHBondContact O-N 3.19Å; I587-I591 HydrophobicContact CG2-CD1 3.81Å; I587-I591 WeakPolarHBondContact O-CG1 3.34Å; I587-I591 PolarHBondContact O-N 3.08Å
588	I	85.6	Confident	82.2	Confident	55 Å²	55	49.8 Å²	49.8	28%	0.282	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-43	177.8	-71.8	164.6	0	0	0	110.6	Y557 T584 V590 I591 V592	Y557-I588 HydrophobicContact CD1-CD1 4.32Å; Y557-I588 HydrophobicContact CE1-CD1 3.5Å; Y557-I588 VanDerWaalsContact CE1-CD1 3.5Å; Y557-I588 HydrophobicContact CE2-CD1 4.12Å; Y557-I588 WeakPolarHBondContact OH-CD1 3.46Å; T584-I588 WeakPolarHBondContact O-CB 3.29Å; T584-I588 VanDerWaalsContact O-CG1 3.31Å; T584-I588 WeakPolarHBondContact O-CG1 3.46Å; T584-I588 PolarHBondContact O-N 3.33Å; I588-V590 PolarHBondContact O-N 3.21Å; I588-I591 PolarHBondContact O-N 3.34Å; I588-V592 HydrophobicContact CG2-CG2 4.36Å; I588-V592 WeakPolarHBondContact O-CB 3.3Å; I588-V592 VanDerWaalsContact O-CG2 3.29Å; I588-V592 WeakPolarHBondContact O-CG2 3.25Å; I588-V592 PolarHBondContact O-N 2.89Å
589	N	83.1	Confident	83.2	Confident	10 Å²	10	45.8 Å²	45.8	5%	0.053	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-43.6	176.1	-169.6	48.5	0	0	0	112	V554 A585 A586 I587 V592 I593 Q680	V554-N589 HydrophobicContact CG1-CB 4.3Å; A585-N589 VanDerWaalsContact O-CB 3.28Å; A585-N589 WeakPolarHBondContact O-CB 3.32Å; A585-N589 PolarHBondContact O-N 3.33Å; A586-N589 PolarHBondContact O-N 2.84Å; I587-N589 VanDerWaalsContact C-N 3.33Å; I587-N589 PolarHBondContact O-N 3.12Å; N589-V592 PolarHBondContact O-N 3.49Å; N589-I593 WeakPolarHBondContact O-CB 3.31Å; N589-I593 WeakPolarHBondContact O-CD1 3.48Å; N589-I593 VanDerWaalsContact O-CG1 3.24Å; N589-I593 WeakPolarHBondContact O-CG1 3.46Å; N589-I593 PolarHBondContact O-N 3.41Å; N589-Q680 PolarHBondContact ND2-NE2 3.24Å
590	V	81.9	Confident	84	Confident	12 Å²	12	43.1 Å²	43.1	7%	0.073	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-44.4	176.1	169.7	0	0	0	0	111.9	A586 I587 I588 V592 I593 I594 I683 I691	A586-V590 WeakPolarHBondContact O-CG2 3.43Å; A586-V590 PolarHBondContact O-N 3.45Å; I587-V590 PolarHBondContact O-N 3.19Å; I588-V590 PolarHBondContact O-N 3.21Å; V590-V592 VanDerWaalsContact C-N 3.34Å; V590-V592 PolarHBondContact O-N 3.02Å; V590-I593 PolarHBondContact O-N 3.44Å; V590-I594 HydrophobicContact CG1-CD1 3.84Å; V590-I594 WeakPolarHBondContact O-CG1 3.18Å; V590-I594 PolarHBondContact O-N 3.43Å; V590-I683 HydrophobicContact CG2-CG2 3.84Å; V590-I691 HydrophobicContact CG1-CD1 4.27Å
591	I	84.3	Confident	84.4	Confident	90 Å²	90	40.6 Å²	40.6	46%	0.462	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-44	177.5	-68.1	167.3	0	0	0	110.9	I587 I588 I594 I595	I587-I591 HydrophobicContact CG2-CD1 3.81Å; I587-I591 WeakPolarHBondContact O-CG1 3.34Å; I587-I591 PolarHBondContact O-N 3.08Å; I588-I591 PolarHBondContact O-N 3.34Å; I591-I594 PolarHBondContact O-N 3.46Å; I591-I595 HydrophobicContact CG2-CD1 3.85Å; I591-I595 WeakPolarHBondContact O-CG1 3.42Å; I591-I595 PolarHBondContact O-N 3.47Å
592	V	86.9	Confident	84.8	Confident	36 Å²	36	42.7 Å²	42.7	22%	0.218	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-46.1	176.7	166	0	0	0	0	111.4	I550 I588 N589 V590 I594 I595 L596	I550-V592 HydrophobicContact CG2-CG1 3.44Å; I550-V592 VanDerWaalsContact CG2-CG1 3.44Å; I588-V592 HydrophobicContact CG2-CG2 4.36Å; I588-V592 WeakPolarHBondContact O-CB 3.3Å; I588-V592 VanDerWaalsContact O-CG2 3.29Å; I588-V592 WeakPolarHBondContact O-CG2 3.25Å; I588-V592 PolarHBondContact O-N 2.89Å; N589-V592 PolarHBondContact O-N 3.49Å; V590-V592 VanDerWaalsContact C-N 3.34Å; V590-V592 PolarHBondContact O-N 3.02Å; V592-I594 VanDerWaalsContact C-N 3.34Å; V592-I594 PolarHBondContact O-N 3.05Å; V592-I595 PolarHBondContact O-N 3.15Å; V592-L596 HydrophobicContact CG1-CD1 3.85Å; V592-L596 HydrophobicContact CG1-CG 4.38Å; V592-L596 WeakPolarHBondContact O-CB 3Å; V592-L596 WeakPolarHBondContact O-CG 3.46Å; V592-L596 PolarHBondContact O-N 3.02Å
593	I	85.4	Confident	85.5	Confident	10 Å²	10	41.5 Å²	41.5	5%	0.051	23%	0.227	C	C	.	.	H	α-helix	trans	-57.9	-46.2	176.9	-72.9	163.9	0	0	0	110.8	N589 V590 L596 D597 N634 P638 T684	N589-I593 WeakPolarHBondContact O-CB 3.31Å; N589-I593 WeakPolarHBondContact O-CD1 3.48Å; N589-I593 VanDerWaalsContact O-CG1 3.24Å; N589-I593 WeakPolarHBondContact O-CG1 3.46Å; N589-I593 PolarHBondContact O-N 3.41Å; V590-I593 PolarHBondContact O-N 3.44Å; I593-L596 PolarHBondContact O-N 3.02Å; I593-D597 WeakPolarHBondContact O-CB 3.31Å; I593-D597 PolarHBondContact O-N 3.12Å; I593-N634 PolarHBondContact O-ND2 2.87Å; I593-P638 HydrophobicContact CD1-CG 4.47Å; I593-T684 HydrophobicContact CD1-CG2 4.41Å
594	I	84.4	Confident	86.2	Confident	29 Å²	29	37.7 Å²	37.7	15%	0.149	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-45.1	179.6	-69.5	166.7	0	0	0	111.6	V590 I591 V592 D597 I691 F696	V590-I594 HydrophobicContact CG1-CD1 3.84Å; V590-I594 WeakPolarHBondContact O-CG1 3.18Å; V590-I594 PolarHBondContact O-N 3.43Å; I591-I594 PolarHBondContact O-N 3.46Å; V592-I594 VanDerWaalsContact C-N 3.34Å; V592-I594 PolarHBondContact O-N 3.05Å; I594-D597 PolarHBondContact O-N 3.11Å; I594-I691 HydrophobicContact CD1-CG2 4.49Å; I594-F696 HydrophobicContact CG2-CE2 4.23Å
595	I	87.4	Confident	86.5	Confident	99 Å²	99	40.9 Å²	40.9	51%	0.508	21%	0.211	S	C	.	.	H	α-helix	trans	-65.2	-43.2	179.1	-68.1	167.8	0	0	0	110.9	I591 V592 I599	I591-I595 HydrophobicContact CG2-CD1 3.85Å; I591-I595 WeakPolarHBondContact O-CG1 3.42Å; I591-I595 PolarHBondContact O-N 3.47Å; V592-I595 PolarHBondContact O-N 3.15Å; I595-I599 HydrophobicContact CG2-CD1 3.94Å; I595-I599 WeakPolarHBondContact O-CG1 3.4Å; I595-I599 PolarHBondContact O-N 2.71Å
596	L	88.5	Confident	86.9	Confident	15 Å²	15	47 Å²	47	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-67.1	-37	178.9	-73.3	178.6	0	0	0	112.7	I550 V592 I593 E598 I599 Y600 N634	I550-L596 HydrophobicContact CD1-CD1 3.93Å; I550-L596 HydrophobicContact CD1-CD2 3.86Å; I550-L596 HydrophobicContact CD1-CG 4.45Å; I550-L596 HydrophobicContact CG2-CD1 4.23Å; V592-L596 HydrophobicContact CG1-CD1 3.85Å; V592-L596 HydrophobicContact CG1-CG 4.38Å; V592-L596 WeakPolarHBondContact O-CB 3Å; V592-L596 WeakPolarHBondContact O-CG 3.46Å; V592-L596 PolarHBondContact O-N 3.02Å; I593-L596 PolarHBondContact O-N 3.02Å; L596-E598 VanDerWaalsContact C-N 3.28Å; L596-E598 PolarHBondContact O-N 2.96Å; L596-I599 PolarHBondContact O-N 3.48Å; L596-Y600 HydrophobicContact CB-CD2 4.15Å; L596-Y600 HydrophobicContact CB-CE2 3.69Å; L596-Y600 HydrophobicContact CD1-CE2 4.41Å; L596-Y600 HydrophobicContact CD2-CE2 4.41Å; L596-Y600 HydrophobicContact CG-CE2 4.39Å; L596-Y600 WeakPolarHBondContact O-CB 3.47Å; L596-Y600 WeakPolarHBondContact O-CD2 3.48Å; L596-Y600 VanDerWaalsContact O-CG 3.25Å; L596-Y600 PolarHBondContact O-N 3.05Å; L596-N634 WeakPolarHBondContact CD1-OD1 3.46Å
597	D	87.3	Confident	87.4	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.011	23%	0.231	C	C	.	.	H	α-helix	trans	-58	-37.6	178.9	-106.2	33	0	0	0	112.9	I593 I594 A601 K631 N634 K688	I593-D597 WeakPolarHBondContact O-CB 3.31Å; I593-D597 PolarHBondContact O-N 3.12Å; I594-D597 PolarHBondContact O-N 3.11Å; D597-A601 WeakPolarHBondContact O-CB 3.3Å; D597-A601 PolarHBondContact O-N 3.38Å; D597-K631 WeakPolarHBondContact O-CE 3.44Å; D597-K631 WeakPolarHBondContact OD2-CD 3.33Å; D597-K631 WeakPolarHBondContact OD2-CE 3.36Å; D597-K631 IonicContact OD2-NZ 3.33Å; D597-K631 PolarHBondContact OD2-NZ 3.28Å; D597-N634 PolarHBondContact OD1-ND2 2.95Å; D597-K688 IonicContact OD2-NZ 2.91Å; D597-K688 PolarHBondContact OD2-NZ 2.89Å
598	E	86.8	Confident	87.8	Confident	107 Å²	107	42.6 Å²	42.6	50%	0.5	21%	0.209	S	C	.	.	H	α-helix	trans	-78.3	-35.2	177.4	-75.1	-53.9	125.7	0	0	113.3	L596 S602	L596-E598 VanDerWaalsContact C-N 3.28Å; L596-E598 PolarHBondContact O-N 2.96Å; E598-S602 WeakPolarHBondContact O-CB 3.44Å; E598-S602 PolarHBondContact O-N 3.28Å; E598-S602 PolarHBondContact O-OG 2.95Å
599	I	90.8	Very high	87.8	Confident	77 Å²	77	41.9 Å²	41.9	40%	0.395	21%	0.207	S	C	.	.	H	α-helix	trans	-62.5	-48.4	171.4	-68.6	169.3	0	0	0	109.3	I595 L596 S602 I603	I595-I599 HydrophobicContact CG2-CD1 3.94Å; I595-I599 WeakPolarHBondContact O-CG1 3.4Å; I595-I599 PolarHBondContact O-N 2.71Å; L596-I599 PolarHBondContact O-N 3.48Å; I599-S602 PolarHBondContact O-N 2.92Å; I599-I603 HydrophobicContact CG2-CD1 3.64Å; I599-I603 HydrophobicContact CG2-CG1 4.42Å; I599-I603 WeakPolarHBondContact O-CB 3.35Å; I599-I603 WeakPolarHBondContact O-CG1 3.32Å; I599-I603 PolarHBondContact O-N 2.78Å
600	Y	91.1	Very high	87.9	Confident	1 Å²	1	44 Å²	44	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-66	-39.6	178.2	-64.8	-35.4	0	0	0	113	M543 T547 L596 S602 I603 A604 L630 N634	M543-Y600 HydrophobicContact CB-CD1 4.34Å; M543-Y600 HydrophobicContact CB-CE1 3.92Å; M543-Y600 HydrophobicContact CG-CD1 4.5Å; M543-Y600 HydrophobicContact CG-CE1 4.29Å; M543-Y600 PolarHBondContact O-OH 2.66Å; M543-Y600 HydrophobicContact SD-CD1 4.17Å; M543-Y600 HydrophobicContact SD-CE1 3.77Å; T547-Y600 HydrophobicContact CG2-CE2 3.79Å; T547-Y600 WeakPolarHBondContact CG2-OH 3.34Å; L596-Y600 HydrophobicContact CB-CD2 4.15Å; L596-Y600 HydrophobicContact CB-CE2 3.69Å; L596-Y600 HydrophobicContact CD1-CE2 4.41Å; L596-Y600 HydrophobicContact CD2-CE2 4.41Å; L596-Y600 HydrophobicContact CG-CE2 4.39Å; L596-Y600 WeakPolarHBondContact O-CB 3.47Å; L596-Y600 WeakPolarHBondContact O-CD2 3.48Å; L596-Y600 VanDerWaalsContact O-CG 3.25Å; L596-Y600 PolarHBondContact O-N 3.05Å; Y600-S602 PolarHBondContact O-N 3.13Å; Y600-I603 PolarHBondContact O-N 2.91Å; Y600-A604 WeakPolarHBondContact O-CB 3.25Å; Y600-A604 PolarHBondContact O-N 3.44Å; Y600-L630 HydrophobicContact CD1-CB 4.41Å; Y600-L630 HydrophobicContact CD1-CD1 4.07Å; Y600-L630 HydrophobicContact CD2-CB 4.13Å; Y600-L630 HydrophobicContact CG-CB 3.87Å; Y600-L630 HydrophobicContact CG-CD1 4.14Å; Y600-L630 HydrophobicContact CG-CG 4.47Å; Y600-N634 HydrophobicContact CD2-CB 4.31Å; Y600-N634 HydrophobicContact CE2-CB 4.03Å
601	A	88.6	Confident	88	Confident	14 Å²	14	43.9 Å²	43.9	12%	0.116	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-35.5	172.5	0	0	0	0	0	112.2	D597 R605 T627	D597-A601 WeakPolarHBondContact O-CB 3.3Å; D597-A601 PolarHBondContact O-N 3.38Å; A601-R605 WeakPolarHBondContact O-CG 3.36Å; A601-R605 PolarHBondContact O-N 3.4Å; A601-R605 PolarHBondContact O-NE 3.38Å; A601-T627 HydrophobicContact CB-CG2 4.45Å
602	S	89.7	Confident	87.9	Confident	52 Å²	52	40.1 Å²	40.1	36%	0.364	20%	0.198	S	C	.	.	H	α-helix	trans	-76	-40.6	179	-58.3	0	0	0	0	112.9	E598 I599 Y600 R605 W606	E598-S602 WeakPolarHBondContact O-CB 3.44Å; E598-S602 PolarHBondContact O-N 3.28Å; E598-S602 PolarHBondContact O-OG 2.95Å; I599-S602 PolarHBondContact O-N 2.92Å; Y600-S602 PolarHBondContact O-N 3.13Å; S602-R605 PolarHBondContact O-N 2.87Å; S602-R605 PolarHBondContact OG-NH2 3.47Å; S602-W606 PolarHBondContact O-N 2.98Å; S602-W606 VanDerWaalsContact O-N 3.14Å
603	I	91.7	Very high	87.7	Confident	34 Å²	34	38.6 Å²	38.6	17%	0.174	19%	0.189	C	C	.	.	H	α-helix	trans	-69.5	-40	176	-67.8	173.7	0	0	0	111	M543 I599 Y600 R605 W606 L607	M543-I603 HydrophobicContact CE-CD1 3.63Å; M543-I603 HydrophobicContact CG-CG2 4.44Å; M543-I603 HydrophobicContact SD-CD1 3.68Å; I599-I603 HydrophobicContact CG2-CD1 3.64Å; I599-I603 HydrophobicContact CG2-CG1 4.42Å; I599-I603 WeakPolarHBondContact O-CB 3.35Å; I599-I603 WeakPolarHBondContact O-CG1 3.32Å; I599-I603 PolarHBondContact O-N 2.78Å; Y600-I603 PolarHBondContact O-N 2.91Å; I603-R605 VanDerWaalsContact C-N 3.33Å; I603-R605 PolarHBondContact O-N 2.89Å; I603-W606 PolarHBondContact O-N 3.35Å; I603-L607 HydrophobicContact CG2-CD1 3.95Å; I603-L607 PolarHBondContact O-N 3.38Å
604	A	91.6	Very high	87.3	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-37	175.9	0	0	0	0	0	112.5	Y600 T608 L623 K626 T627	Y600-A604 WeakPolarHBondContact O-CB 3.25Å; Y600-A604 PolarHBondContact O-N 3.44Å; A604-T608 WeakPolarHBondContact O-CB 3.43Å; A604-T608 PolarHBondContact O-N 3.18Å; A604-T608 VanDerWaalsContact O-N 3.1Å; A604-T608 PolarHBondContact O-OG1 3.31Å; A604-L623 HydrophobicContact CB-CD1 4.05Å; A604-L623 WeakPolarHBondContact O-CD1 3.32Å; A604-K626 HydrophobicContact CB-CB 4.2Å; A604-T627 VanDerWaalsContact CB-OG1 3.31Å; A604-T627 WeakPolarHBondContact CB-OG1 3.31Å
605	R	89.8	Confident	87.1	Confident	114 Å²	114	42.3 Å²	42.3	43%	0.43	21%	0.206	S	C	.	.	H	α-helix	trans	-59.9	-48.7	170.3	-82.1	-178.3	-89.9	108.4	-2.3	111.4	A601 S602 I603 T608 T609 L623	A601-R605 WeakPolarHBondContact O-CG 3.36Å; A601-R605 PolarHBondContact O-N 3.4Å; A601-R605 PolarHBondContact O-NE 3.38Å; S602-R605 PolarHBondContact O-N 2.87Å; S602-R605 PolarHBondContact OG-NH2 3.47Å; I603-R605 VanDerWaalsContact C-N 3.33Å; I603-R605 PolarHBondContact O-N 2.89Å; R605-T608 PolarHBondContact O-N 3.42Å; R605-T609 PolarHBondContact O-N 3.32Å; R605-T609 VanDerWaalsContact O-N 3.07Å; R605-T609 PolarHBondContact O-OG1 3.14Å; R605-L623 HydrophobicContact CB-CD1 4.43Å; R605-L623 HydrophobicContact CG-CD1 3.88Å; R605-L623 HydrophobicContact CG-CD2 4.04Å
606	W	90.1	Very high	86.8	Confident	136 Å²	136	40.8 Å²	40.8	52%	0.515	20%	0.199	S	C	.	.	H	α-helix	trans	-65.7	-44.7	179.4	179	71.4	0	0	0	113.6	S602 I603 T608 T609 L610	S602-W606 PolarHBondContact O-N 2.98Å; S602-W606 VanDerWaalsContact O-N 3.14Å; I603-W606 PolarHBondContact O-N 3.35Å; W606-T608 VanDerWaalsContact C-N 3.26Å; W606-T608 PolarHBondContact O-N 3.1Å; W606-T609 PolarHBondContact O-N 3.44Å; W606-T609 PolarHBondContact O-OG1 2.84Å; W606-L610 HydrophobicContact CD2-CD1 4.16Å; W606-L610 HydrophobicContact CE3-CD1 4.29Å; W606-L610 HydrophobicContact CH2-CD1 3.86Å; W606-L610 HydrophobicContact CZ2-CD1 3.72Å; W606-L610 HydrophobicContact CZ3-CD1 4.14Å; W606-L610 WeakPolarHBondContact O-CG 3.49Å; W606-L610 PolarHBondContact O-N 3.2Å
607	L	89.4	Confident	86.5	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-55.8	-41.8	172.5	-99.2	53.9	0	0	0	111.6	T536 M539 M540 I603 L610 E611 K626	T536-L607 HydrophobicContact CG2-CD2 4.18Å; T536-L607 HydrophobicContact CG2-CG 4.44Å; M539-L607 HydrophobicContact CB-CD1 4.18Å; M539-L607 HydrophobicContact CB-CD2 4.13Å; M540-L607 HydrophobicContact CG-CD2 3.9Å; M540-L607 HydrophobicContact SD-CD2 4.03Å; I603-L607 HydrophobicContact CG2-CD1 3.95Å; I603-L607 PolarHBondContact O-N 3.38Å; L607-L610 WeakPolarHBondContact O-CB 3.33Å; L607-L610 PolarHBondContact O-N 3.2Å; L607-E611 PolarHBondContact O-N 3.47Å; L607-K626 HydrophobicContact CB-CD 4.18Å; L607-K626 HydrophobicContact CD2-CD 4.47Å
608	T	89.4	Confident	86.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-79.2	-22.4	-175.8	-45.2	0	0	0	0	112.9	A604 R605 W606 P613 F619 R622 L623 K626	A604-T608 WeakPolarHBondContact O-CB 3.43Å; A604-T608 PolarHBondContact O-N 3.18Å; A604-T608 VanDerWaalsContact O-N 3.1Å; A604-T608 PolarHBondContact O-OG1 3.31Å; R605-T608 PolarHBondContact O-N 3.42Å; W606-T608 VanDerWaalsContact C-N 3.26Å; W606-T608 PolarHBondContact O-N 3.1Å; T608-P613 VanDerWaalsContact O-CD 3.31Å; T608-P613 WeakPolarHBondContact O-CD 3.38Å; T608-F619 HydrophobicContact CG2-CD2 3.57Å; T608-F619 HydrophobicContact CG2-CE2 3.74Å; T608-F619 HydrophobicContact CG2-CG 4.42Å; T608-R622 HydrophobicContact CG2-CB 3.82Å; T608-L623 HydrophobicContact CG2-CB 4.32Å; T608-K626 PolarHBondContact OG1-NZ 2.88Å
609	T	86.3	Confident	86.5	Confident	41 Å²	41	43.3 Å²	43.3	25%	0.252	21%	0.211	S	C	.	.	H	α-helix	trans	-78.3	-26.4	166.6	56.1	0	0	0	0	112.7	R504 R605 W606 F619	R504-T609 PolarHBondContact NH2-O 3.47Å; R605-T609 PolarHBondContact O-N 3.32Å; R605-T609 VanDerWaalsContact O-N 3.07Å; R605-T609 PolarHBondContact O-OG1 3.14Å; W606-T609 PolarHBondContact O-N 3.44Å; W606-T609 PolarHBondContact O-OG1 2.84Å; T609-F619 HydrophobicContact CG2-CE2 3.92Å; T609-F619 HydrophobicContact CG2-CZ 4.25Å
610	L	84.8	Confident	86.3	Confident	54 Å²	54	42.7 Å²	42.7	28%	0.283	21%	0.207	S	C	.	.	H	α-helix	trans	-64.8	-41	170.3	-71.7	178.3	0	0	0	112.7	R504 W606 L607 V612	R504-L610 PolarHBondContact NH1-O 3.14Å; W606-L610 HydrophobicContact CD2-CD1 4.16Å; W606-L610 HydrophobicContact CE3-CD1 4.29Å; W606-L610 HydrophobicContact CH2-CD1 3.86Å; W606-L610 HydrophobicContact CZ2-CD1 3.72Å; W606-L610 HydrophobicContact CZ3-CD1 4.14Å; W606-L610 WeakPolarHBondContact O-CG 3.49Å; W606-L610 PolarHBondContact O-N 3.2Å; L607-L610 WeakPolarHBondContact O-CB 3.33Å; L607-L610 PolarHBondContact O-N 3.2Å; L610-V612 VanDerWaalsContact C-N 3.28Å; L610-V612 VanDerWaalsContact O-CG2 3.29Å; L610-V612 WeakPolarHBondContact O-CG2 3.36Å; L610-V612 PolarHBondContact O-N 2.66Å
611	E	82.9	Confident	86.3	Confident	10 Å²	10	46 Å²	46	5%	0.047	22%	0.222	C	C	.	.	S	Bend	trans	-62.9	-22.5	-178	-79.8	-176	-176	0	0	116	Y533 L607 R622 K626	Y533-E611 HydrophobicContact CD1-CG 4.26Å; Y533-E611 HydrophobicContact CE1-CG 4.19Å; L607-E611 PolarHBondContact O-N 3.47Å; E611-R622 WeakPolarHBondContact OE2-CD 3.17Å; E611-R622 IonicContact OE2-CZ 2.69Å; E611-R622 IonicContact OE2-NE 3.52Å; E611-R622 IonicContact OE2-NH1 3.63Å; E611-R622 PolarHBondContact OE2-NH1 3.47Å; E611-K626 WeakPolarHBondContact OE1-CE 3.43Å; E611-K626 IonicContact OE1-NZ 3.02Å; E611-K626 PolarHBondContact OE1-NZ 3.41Å; E611-K626 IonicContact OE2-NZ 3.39Å; E611-K626 PolarHBondContact OE2-NZ 3.01Å; E611-K626 VanDerWaalsContact OE2-NZ 3.12Å
612	V	83.4	Confident	86.3	Confident	10 Å²	10	48.6 Å²	48.6	6%	0.061	23%	0.229	C	C	.	.			trans	50.3	60.7	-175	-138.5	0	0	0	0	113.5	Y501 R504 L524 R529 L610	Y501-V612 HydrophobicContact CD2-CB 4.47Å; Y501-V612 HydrophobicContact CD2-CG1 3.92Å; Y501-V612 HydrophobicContact CG-CG1 4.48Å; R504-V612 VanDerWaalsContact CZ-CG2 3.41Å; L524-V612 HydrophobicContact CD2-CB 4.38Å; L524-V612 HydrophobicContact CD2-CG2 4.49Å; R529-V612 PolarHBondContact NH2-O 3.07Å; L610-V612 VanDerWaalsContact C-N 3.28Å; L610-V612 VanDerWaalsContact O-CG2 3.29Å; L610-V612 WeakPolarHBondContact O-CG2 3.36Å; L610-V612 PolarHBondContact O-N 2.66Å
613	P	82.6	Confident	86.4	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.032	22%	0.22	C	C	.	.			trans	-58.8	144.3	167.8	26.2	-32.4	0	0	0	110.3	T608 F619	T608-P613 VanDerWaalsContact O-CD 3.31Å; T608-P613 WeakPolarHBondContact O-CD 3.38Å; P613-F619 HydrophobicContact CB-CB 4.45Å; P613-F619 HydrophobicContact CG-CB 3.76Å; P613-F619 HydrophobicContact CG-CD2 3.74Å; P613-F619 HydrophobicContact CG-CG 4.25Å
614	K	77.4	Confident	86.5	Confident	91 Å²	91	46.5 Å²	46.5	40%	0.396	21%	0.214	S	C	.	.	S	Bend	trans	-71.6	-39.5	-170.9	-176.2	-165.4	165.3	-154.7	0	112.7	N497 R498 Y501	N497-K614 WeakPolarHBondContact CA-O 3.49Å; N497-K614 WeakPolarHBondContact OD1-CE 3.1Å; R498-K614 PolarHBondContact N-O 2.93Å; Y501-K614 HydrophobicContact CD1-CG 4.22Å; Y501-K614 HydrophobicContact CE1-CG 4.04Å
615	T	80.6	Confident	86.5	Confident	25 Å²	25	51.7 Å²	51.7	15%	0.153	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-126.8	157.4	-172.1	70.8	0	0	0	0	111	D495 K617 S618 F619	D495-T615 HydrophobicContact CB-CG2 4.13Å; D495-T615 VanDerWaalsContact OD2-CB 3.27Å; D495-T615 WeakPolarHBondContact OD2-CB 3.08Å; D495-T615 PolarHBondContact OD2-OG1 2.68Å; T615-K617 PolarHBondContact O-N 3.07Å; T615-S618 PolarHBondContact O-N 3.35Å; T615-S618 VanDerWaalsContact O-N 3.16Å; T615-S618 PolarHBondContact OG1-N 3.47Å; T615-F619 PolarHBondContact O-N 2.89Å
616	D	80.2	Confident	86.6	Confident	68 Å²	68	46.9 Å²	46.9	36%	0.364	22%	0.219	S	C	.	.	H	α-helix	trans	-69	-33.5	-176.2	-71.6	-28.8	0	0	0	112.2	R498 S618 F619 E620	R498-D616 WeakPolarHBondContact CD-OD1 3.37Å; D616-S618 VanDerWaalsContact C-N 3.34Å; D616-S618 PolarHBondContact O-N 3.24Å; D616-F619 WeakPolarHBondContact O-CB 3.26Å; D616-F619 PolarHBondContact O-N 3.43Å; D616-F619 VanDerWaalsContact O-N 3.13Å; D616-E620 PolarHBondContact O-N 3.06Å
617	K	82.5	Confident	86.7	Confident	115 Å²	115	41.1 Å²	41.1	50%	0.5	20%	0.199	S	C	.	.	H	α-helix	trans	-55.3	-47.7	168.5	178.3	175.6	174.3	177.5	0	111.8	T615 F619 E620 E621	T615-K617 PolarHBondContact O-N 3.07Å; K617-F619 VanDerWaalsContact C-N 3.28Å; K617-F619 PolarHBondContact O-N 3.03Å; K617-E620 PolarHBondContact O-N 2.99Å; K617-E621 WeakPolarHBondContact CE-OE1 3.47Å; K617-E621 IonicContact NZ-OE1 3.35Å; K617-E621 WeakPolarHBondContact O-CG 3.46Å; K617-E621 PolarHBondContact O-N 2.89Å
618	S	85.3	Confident	86.9	Confident	30 Å²	30	42 Å²	42	21%	0.21	20%	0.203	C	C	.	.	H	α-helix	trans	-68.5	-27.8	179.1	-167.9	0	0	0	0	112.4	T615 D616 R622	T615-S618 PolarHBondContact O-N 3.35Å; T615-S618 VanDerWaalsContact O-N 3.16Å; T615-S618 PolarHBondContact OG1-N 3.47Å; D616-S618 VanDerWaalsContact C-N 3.34Å; D616-S618 PolarHBondContact O-N 3.24Å; S618-R622 VanDerWaalsContact O-CB 3.31Å; S618-R622 WeakPolarHBondContact O-CB 3.2Å; S618-R622 WeakPolarHBondContact O-CD 3.34Å; S618-R622 WeakPolarHBondContact O-CG 3.39Å; S618-R622 PolarHBondContact O-N 3.23Å; S618-R622 PolarHBondContact OG-NE 2.92Å
619	F	87.7	Confident	87.1	Confident	31 Å²	31	44.2 Å²	44.2	14%	0.136	21%	0.214	C	C	.	.	H	α-helix	trans	-69.4	-48.8	171.3	179.5	-100.1	0	0	0	111.9	T608 T609 P613 T615 D616 K617 R622 L623	T608-F619 HydrophobicContact CG2-CD2 3.57Å; T608-F619 HydrophobicContact CG2-CE2 3.74Å; T608-F619 HydrophobicContact CG2-CG 4.42Å; T609-F619 HydrophobicContact CG2-CE2 3.92Å; T609-F619 HydrophobicContact CG2-CZ 4.25Å; P613-F619 HydrophobicContact CB-CB 4.45Å; P613-F619 HydrophobicContact CG-CB 3.76Å; P613-F619 HydrophobicContact CG-CD2 3.74Å; P613-F619 HydrophobicContact CG-CG 4.25Å; T615-F619 PolarHBondContact O-N 2.89Å; D616-F619 WeakPolarHBondContact O-CB 3.26Å; D616-F619 PolarHBondContact O-N 3.43Å; D616-F619 VanDerWaalsContact O-N 3.13Å; K617-F619 VanDerWaalsContact C-N 3.28Å; K617-F619 PolarHBondContact O-N 3.03Å; F619-R622 PolarHBondContact O-N 2.94Å; F619-L623 HydrophobicContact CE1-CD2 3.84Å; F619-L623 HydrophobicContact CZ-CD2 4.09Å; F619-L623 WeakPolarHBondContact O-CB 3.46Å; F619-L623 PolarHBondContact O-N 3.34Å
620	E	87.8	Confident	87.3	Confident	65 Å²	65	42.3 Å²	42.3	30%	0.304	20%	0.202	S	C	.	.	H	α-helix	trans	-57.1	-52.1	177.2	-78.2	-163.2	-150.8	0	0	111	K369 D616 K617 R622 L623 I624 N742	K369-E620 IonicContact NZ-OE1 3.57Å; K369-E620 PolarHBondContact NZ-OE1 3.29Å; K369-E620 IonicContact NZ-OE2 2.69Å; K369-E620 PolarHBondContact NZ-OE2 3.12Å; D616-E620 PolarHBondContact O-N 3.06Å; K617-E620 PolarHBondContact O-N 2.99Å; E620-R622 PolarHBondContact O-N 3.36Å; E620-L623 PolarHBondContact O-N 3.48Å; E620-I624 WeakPolarHBondContact O-CB 3.46Å; E620-I624 WeakPolarHBondContact O-CD1 3.34Å; E620-I624 WeakPolarHBondContact O-CG1 3.45Å; E620-I624 PolarHBondContact O-N 2.84Å; E620-N742 PolarHBondContact OE2-ND2 3.18Å
621	E	89.8	Confident	87.6	Confident	71 Å²	71	41.1 Å²	41.1	33%	0.332	20%	0.195	S	C	.	.	H	α-helix	trans	-58.2	-45.3	-178.3	-71.2	170.9	167.9	0	0	112.8	K617 F625 I801	K617-E621 WeakPolarHBondContact CE-OE1 3.47Å; K617-E621 IonicContact NZ-OE1 3.35Å; K617-E621 WeakPolarHBondContact O-CG 3.46Å; K617-E621 PolarHBondContact O-N 2.89Å; E621-F625 WeakPolarHBondContact O-CB 3.31Å; E621-F625 PolarHBondContact O-N 2.9Å; E621-I801 HydrophobicContact CG-CB 4.49Å
622	R	90.3	Very high	88	Confident	67 Å²	67	43.2 Å²	43.2	25%	0.253	20%	0.204	S	C	.	.	H	α-helix	trans	-69.1	-36.8	178.9	-71.6	169.4	177.8	-126.7	-1.9	112.7	Y533 T608 E611 S618 F619 E620 K626	Y533-R622 PolarHBondContact OH-NH1 3.15Å; Y533-R622 PolarHBondContact OH-NH2 2.93Å; T608-R622 HydrophobicContact CG2-CB 3.82Å; E611-R622 WeakPolarHBondContact OE2-CD 3.17Å; E611-R622 IonicContact OE2-CZ 2.69Å; E611-R622 IonicContact OE2-NE 3.52Å; E611-R622 IonicContact OE2-NH1 3.63Å; E611-R622 PolarHBondContact OE2-NH1 3.47Å; S618-R622 VanDerWaalsContact O-CB 3.31Å; S618-R622 WeakPolarHBondContact O-CB 3.2Å; S618-R622 WeakPolarHBondContact O-CD 3.34Å; S618-R622 WeakPolarHBondContact O-CG 3.39Å; S618-R622 PolarHBondContact O-N 3.23Å; S618-R622 PolarHBondContact OG-NE 2.92Å; F619-R622 PolarHBondContact O-N 2.94Å; E620-R622 PolarHBondContact O-N 3.36Å; R622-K626 WeakPolarHBondContact O-CG 3.18Å; R622-K626 PolarHBondContact O-N 3.43Å
623	L	91.7	Very high	88.4	Confident	32 Å²	32	44 Å²	44	17%	0.168	21%	0.208	C	C	.	.	H	α-helix	trans	-69.5	-43.9	177.6	177.7	58.8	0	0	0	110.8	A604 R605 T608 F619 E620 T627	A604-L623 HydrophobicContact CB-CD1 4.05Å; A604-L623 WeakPolarHBondContact O-CD1 3.32Å; R605-L623 HydrophobicContact CB-CD1 4.43Å; R605-L623 HydrophobicContact CG-CD1 3.88Å; R605-L623 HydrophobicContact CG-CD2 4.04Å; T608-L623 HydrophobicContact CG2-CB 4.32Å; F619-L623 HydrophobicContact CE1-CD2 3.84Å; F619-L623 HydrophobicContact CZ-CD2 4.09Å; F619-L623 WeakPolarHBondContact O-CB 3.46Å; F619-L623 PolarHBondContact O-N 3.34Å; E620-L623 PolarHBondContact O-N 3.48Å; L623-T627 VanDerWaalsContact O-CB 3.29Å; L623-T627 WeakPolarHBondContact O-CB 3.39Å; L623-T627 PolarHBondContact O-N 2.88Å; L623-T627 PolarHBondContact O-OG1 3.23Å
624	I	92.4	Very high	88.8	Confident	10 Å²	10	44 Å²	44	5%	0.051	21%	0.209	C	C	.	.	H	α-helix	trans	-56.2	-53.8	173.8	-71.2	162	0	0	0	109.8	E620 K626 T627 F628 N742 I801 W802 L805	E620-I624 WeakPolarHBondContact O-CB 3.46Å; E620-I624 WeakPolarHBondContact O-CD1 3.34Å; E620-I624 WeakPolarHBondContact O-CG1 3.45Å; E620-I624 PolarHBondContact O-N 2.84Å; I624-K626 PolarHBondContact O-N 2.96Å; I624-T627 PolarHBondContact O-N 3.26Å; I624-F628 VanDerWaalsContact O-CB 3.26Å; I624-F628 WeakPolarHBondContact O-CB 3.44Å; I624-F628 PolarHBondContact O-N 2.91Å; I624-N742 HydrophobicContact CD1-CB 4.41Å; I624-N742 HydrophobicContact CG1-CB 4.19Å; I624-I801 HydrophobicContact CB-CG2 4.05Å; I624-I801 HydrophobicContact CD1-CG2 3.77Å; I624-I801 HydrophobicContact CG2-CG2 3.62Å; I624-W802 HydrophobicContact CB-CH2 4.41Å; I624-W802 HydrophobicContact CB-CZ2 4.34Å; I624-W802 HydrophobicContact CD1-CZ2 3.95Å; I624-W802 HydrophobicContact CG1-CH2 4.25Å; I624-W802 HydrophobicContact CG1-CZ2 3.77Å; I624-W802 HydrophobicContact CG2-CD2 4.07Å; I624-W802 HydrophobicContact CG2-CE3 3.82Å; I624-W802 HydrophobicContact CG2-CH2 3.46Å; I624-W802 VanDerWaalsContact CG2-CH2 3.46Å; I624-W802 HydrophobicContact CG2-CZ2 3.64Å; I624-W802 HydrophobicContact CG2-CZ3 3.53Å; I624-L805 HydrophobicContact CG2-CD1 4.01Å
625	F	91.6	Very high	89.3	Confident	109 Å²	109	40 Å²	40	48%	0.478	19%	0.192	S	C	.	.	H	α-helix	trans	-59.1	-46.4	-176.8	-175.1	-105.4	0	0	0	113.1	E621 I629 L805	E621-F625 WeakPolarHBondContact O-CB 3.31Å; E621-F625 PolarHBondContact O-N 2.9Å; F625-I629 HydrophobicContact CD1-CD1 3.93Å; F625-I629 HydrophobicContact CD2-CD1 4.49Å; F625-I629 HydrophobicContact CE1-CD1 3.48Å; F625-I629 VanDerWaalsContact CE1-CD1 3.48Å; F625-I629 HydrophobicContact CE2-CD1 4.09Å; F625-I629 HydrophobicContact CG-CD1 4.41Å; F625-I629 HydrophobicContact CZ-CD1 3.57Å; F625-I629 WeakPolarHBondContact O-CG1 3.42Å; F625-I629 PolarHBondContact O-N 3.3Å; F625-I629 VanDerWaalsContact O-N 3.14Å; F625-L805 HydrophobicContact CD2-CD2 4.27Å
626	K	92.3	Very high	89.7	Confident	13 Å²	13	39 Å²	39	6%	0.057	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-47	176.4	-70	-174.9	-167.7	77.2	0	112.3	T536 M540 A604 L607 T608 E611 R622 I624 F628 I629 L630	T536-K626 HydrophobicContact CG2-CD 4.16Å; M540-K626 HydrophobicContact CE-CB 4.2Å; M540-K626 HydrophobicContact CE-CG 4.41Å; M540-K626 HydrophobicContact SD-CB 4.05Å; M540-K626 HydrophobicContact SD-CD 4.36Å; M540-K626 HydrophobicContact SD-CG 4.14Å; A604-K626 HydrophobicContact CB-CB 4.2Å; L607-K626 HydrophobicContact CB-CD 4.18Å; L607-K626 HydrophobicContact CD2-CD 4.47Å; T608-K626 PolarHBondContact OG1-NZ 2.88Å; E611-K626 WeakPolarHBondContact OE1-CE 3.43Å; E611-K626 IonicContact OE1-NZ 3.02Å; E611-K626 PolarHBondContact OE1-NZ 3.41Å; E611-K626 IonicContact OE2-NZ 3.39Å; E611-K626 PolarHBondContact OE2-NZ 3.01Å; E611-K626 VanDerWaalsContact OE2-NZ 3.12Å; R622-K626 WeakPolarHBondContact O-CG 3.18Å; R622-K626 PolarHBondContact O-N 3.43Å; I624-K626 PolarHBondContact O-N 2.96Å; K626-F628 VanDerWaalsContact C-N 3.32Å; K626-F628 PolarHBondContact O-N 3.47Å; K626-I629 PolarHBondContact O-N 3.1Å; K626-L630 PolarHBondContact O-N 3.1Å
627	T	92.3	Very high	90.2	Very high	16 Å²	16	36.5 Å²	36.5	10%	0.098	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-37.8	-177.6	-48.7	0	0	0	0	110.8	A601 A604 L623 I624 K631 M746	A601-T627 HydrophobicContact CB-CG2 4.45Å; A604-T627 VanDerWaalsContact CB-OG1 3.31Å; A604-T627 WeakPolarHBondContact CB-OG1 3.31Å; L623-T627 VanDerWaalsContact O-CB 3.29Å; L623-T627 WeakPolarHBondContact O-CB 3.39Å; L623-T627 PolarHBondContact O-N 2.88Å; L623-T627 PolarHBondContact O-OG1 3.23Å; I624-T627 PolarHBondContact O-N 3.26Å; T627-K631 HydrophobicContact CG2-CD 4.24Å; T627-K631 HydrophobicContact CG2-CG 4.34Å; T627-K631 WeakPolarHBondContact O-CB 3.49Å; T627-K631 WeakPolarHBondContact O-CG 3.4Å; T627-K631 PolarHBondContact O-N 3.44Å; T627-M746 HydrophobicContact CG2-CE 3.89Å
628	F	93.4	Very high	90.4	Very high	19 Å²	19	31.8 Å²	31.8	8%	0.083	15%	0.154	C	C	.	.	H	α-helix	trans	-60.3	-50.8	174.9	174	-99.2	0	0	0	111.3	I624 K626 L630 K631 F632 M746 I749 I750 L805	I624-F628 VanDerWaalsContact O-CB 3.26Å; I624-F628 WeakPolarHBondContact O-CB 3.44Å; I624-F628 PolarHBondContact O-N 2.91Å; K626-F628 VanDerWaalsContact C-N 3.32Å; K626-F628 PolarHBondContact O-N 3.47Å; F628-L630 PolarHBondContact O-N 3.29Å; F628-K631 PolarHBondContact O-N 3.44Å; F628-F632 HydrophobicContact CE1-CB 4.42Å; F628-F632 HydrophobicContact CE1-CD2 4.3Å; F628-F632 HydrophobicContact CE1-CG 4.48Å; F628-F632 HydrophobicContact CE2-CD2 4.25Å; F628-F632 HydrophobicContact CZ-CB 4.36Å; F628-F632 AromaticContact CZ-CD2 3.71Å; F628-F632 HydrophobicContact CZ-CD2 3.71Å; F628-F632 HydrophobicContact CZ-CE2 4.43Å; F628-F632 HydrophobicContact CZ-CG 4.29Å; F628-F632 WeakPolarHBondContact O-CB 3.28Å; F628-F632 PolarHBondContact O-N 3.04Å; F628-M746 VanDerWaalsContact CA-SD 3.6Å; F628-M746 HydrophobicContact CB-CE 3.94Å; F628-M746 HydrophobicContact CB-SD 3.79Å; F628-M746 HydrophobicContact CD2-SD 3.86Å; F628-M746 HydrophobicContact CG-SD 4.34Å; F628-I749 HydrophobicContact CE2-CG2 4.03Å; F628-I750 HydrophobicContact CD2-CD1 4.41Å; F628-I750 HydrophobicContact CE2-CD1 4.17Å; F628-L805 HydrophobicContact CB-CD1 4.24Å; F628-L805 HydrophobicContact CD1-CD1 4.27Å; F628-L805 HydrophobicContact CD1-CD2 3.71Å; F628-L805 HydrophobicContact CD2-CD1 4.34Å; F628-L805 HydrophobicContact CE1-CD2 3.87Å; F628-L805 HydrophobicContact CG-CD1 4.01Å; F628-L805 HydrophobicContact CG-CD2 4.3Å
629	I	92.9	Very high	90.5	Very high	47 Å²	47	30.3 Å²	30.3	24%	0.241	14%	0.144	C	C	.	.	H	α-helix	trans	-58.4	-46.4	-179.8	-71.7	165	0	0	0	111.4	M540 I544 F625 K626 F632 V633	M540-I629 HydrophobicContact CE-CB 4.07Å; M540-I629 HydrophobicContact CE-CG2 3.99Å; I544-I629 HydrophobicContact CD1-CG2 4.03Å; F625-I629 HydrophobicContact CD1-CD1 3.93Å; F625-I629 HydrophobicContact CD2-CD1 4.49Å; F625-I629 HydrophobicContact CE1-CD1 3.48Å; F625-I629 VanDerWaalsContact CE1-CD1 3.48Å; F625-I629 HydrophobicContact CE2-CD1 4.09Å; F625-I629 HydrophobicContact CG-CD1 4.41Å; F625-I629 HydrophobicContact CZ-CD1 3.57Å; F625-I629 WeakPolarHBondContact O-CG1 3.42Å; F625-I629 PolarHBondContact O-N 3.3Å; F625-I629 VanDerWaalsContact O-N 3.14Å; K626-I629 PolarHBondContact O-N 3.1Å; I629-F632 PolarHBondContact O-N 3.35Å; I629-V633 WeakPolarHBondContact O-CG2 3.4Å; I629-V633 PolarHBondContact O-N 3.02Å
630	L	92.1	Very high	90.6	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-65	-46.7	-180	-65	176.1	0	0	0	112.1	M540 M543 I544 Y600 K626 F628 V633 N634	M540-L630 HydrophobicContact CE-CD1 4.4Å; M540-L630 HydrophobicContact CE-CD2 3.99Å; M540-L630 HydrophobicContact CE-CG 3.83Å; M540-L630 HydrophobicContact SD-CD1 3.91Å; M540-L630 HydrophobicContact SD-CD2 4.14Å; M540-L630 HydrophobicContact SD-CG 3.99Å; M543-L630 HydrophobicContact CB-CD2 3.72Å; I544-L630 HydrophobicContact CG1-CD2 4.23Å; Y600-L630 HydrophobicContact CD1-CB 4.41Å; Y600-L630 HydrophobicContact CD1-CD1 4.07Å; Y600-L630 HydrophobicContact CD2-CB 4.13Å; Y600-L630 HydrophobicContact CG-CB 3.87Å; Y600-L630 HydrophobicContact CG-CD1 4.14Å; Y600-L630 HydrophobicContact CG-CG 4.47Å; K626-L630 PolarHBondContact O-N 3.1Å; F628-L630 PolarHBondContact O-N 3.29Å; L630-V633 PolarHBondContact O-N 3.03Å; L630-N634 VanDerWaalsContact O-CB 3.27Å; L630-N634 WeakPolarHBondContact O-CB 3.5Å; L630-N634 PolarHBondContact O-N 3.36Å
631	K	90.8	Very high	90.6	Very high	28 Å²	28	30 Å²	30	12%	0.122	14%	0.144	C	C	.	.	H	α-helix	trans	-67.3	-35	177.9	-69.7	-163.4	170.1	-140.8	0	112.7	D597 T627 F628 A635 M746	D597-K631 WeakPolarHBondContact O-CE 3.44Å; D597-K631 WeakPolarHBondContact OD2-CD 3.33Å; D597-K631 WeakPolarHBondContact OD2-CE 3.36Å; D597-K631 IonicContact OD2-NZ 3.33Å; D597-K631 PolarHBondContact OD2-NZ 3.28Å; T627-K631 HydrophobicContact CG2-CD 4.24Å; T627-K631 HydrophobicContact CG2-CG 4.34Å; T627-K631 WeakPolarHBondContact O-CB 3.49Å; T627-K631 WeakPolarHBondContact O-CG 3.4Å; T627-K631 PolarHBondContact O-N 3.44Å; F628-K631 PolarHBondContact O-N 3.44Å; K631-A635 VanDerWaalsContact O-CB 3.24Å; K631-A635 WeakPolarHBondContact O-CB 3.31Å; K631-A635 PolarHBondContact O-N 2.85Å; K631-M746 HydrophobicContact CD-CG 4.12Å
632	F	91.7	Very high	90.3	Very high	54 Å²	54	27.4 Å²	27.4	24%	0.237	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-52.7	174.4	-177.4	-86.4	0	0	0	110.9	F628 I629 N634 A635 F636 I750 L757 L809	F628-F632 HydrophobicContact CE1-CB 4.42Å; F628-F632 HydrophobicContact CE1-CD2 4.3Å; F628-F632 HydrophobicContact CE1-CG 4.48Å; F628-F632 HydrophobicContact CE2-CD2 4.25Å; F628-F632 HydrophobicContact CZ-CB 4.36Å; F628-F632 AromaticContact CZ-CD2 3.71Å; F628-F632 HydrophobicContact CZ-CD2 3.71Å; F628-F632 HydrophobicContact CZ-CE2 4.43Å; F628-F632 HydrophobicContact CZ-CG 4.29Å; F628-F632 WeakPolarHBondContact O-CB 3.28Å; F628-F632 PolarHBondContact O-N 3.04Å; I629-F632 PolarHBondContact O-N 3.35Å; F632-N634 VanDerWaalsContact C-N 3.34Å; F632-N634 PolarHBondContact O-N 2.98Å; F632-A635 PolarHBondContact O-N 3.45Å; F632-F636 HydrophobicContact CB-CD2 4.5Å; F632-F636 HydrophobicContact CD1-CD2 4.1Å; F632-F636 AromaticContact CD2-CD2 3.45Å; F632-F636 HydrophobicContact CD2-CD2 3.45Å; F632-F636 VanDerWaalsContact CD2-CD2 3.45Å; F632-F636 AromaticContact CD2-CE2 3.44Å; F632-F636 HydrophobicContact CD2-CE2 3.44Å; F632-F636 VanDerWaalsContact CD2-CE2 3.44Å; F632-F636 HydrophobicContact CE1-CD2 4.12Å; F632-F636 AromaticContact CE2-CD2 3.45Å; F632-F636 HydrophobicContact CE2-CD2 3.45Å; F632-F636 VanDerWaalsContact CE2-CD2 3.45Å; F632-F636 AromaticContact CE2-CE2 3.47Å; F632-F636 HydrophobicContact CE2-CE2 3.47Å; F632-F636 VanDerWaalsContact CE2-CE2 3.47Å; F632-F636 HydrophobicContact CE2-CG 4.48Å; F632-F636 HydrophobicContact CE2-CZ 4.48Å; F632-F636 AromaticContact CG-CD2 3.77Å; F632-F636 HydrophobicContact CG-CD2 3.77Å; F632-F636 HydrophobicContact CG-CE2 4.18Å; F632-F636 AromaticContact CZ-CD2 3.8Å; F632-F636 HydrophobicContact CZ-CD2 3.8Å; F632-F636 HydrophobicContact CZ-CE2 4.25Å; F632-F636 HydrophobicContact CZ-CG 4.49Å; F632-F636 WeakPolarHBondContact O-CB 3.5Å; F632-F636 VanDerWaalsContact O-CD2 3.23Å; F632-F636 WeakPolarHBondContact O-CD2 3.42Å; F632-F636 PolarHBondContact O-N 3.08Å; F632-I750 HydrophobicContact CB-CD1 4.25Å; F632-I750 HydrophobicContact CD2-CD1 4.45Å; F632-L757 HydrophobicContact CE2-CD1 3.93Å; F632-L757 HydrophobicContact CZ-CD1 4Å; F632-L809 HydrophobicContact CE2-CD1 3.84Å
633	V	92.1	Very high	90.1	Very high	26 Å²	26	24.7 Å²	24.7	16%	0.158	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-43.5	178.5	178.1	0	0	0	0	110.5	I544 T547 F548 I629 L630 T637	I544-V633 HydrophobicContact CG1-CG2 4.44Å; I544-V633 HydrophobicContact CG2-CG1 4.36Å; T547-V633 HydrophobicContact CG2-CG1 4.26Å; T547-V633 VanDerWaalsContact OG1-CG1 3.23Å; T547-V633 WeakPolarHBondContact OG1-CG1 3.28Å; F548-V633 HydrophobicContact CZ-CG1 4.35Å; I629-V633 WeakPolarHBondContact O-CG2 3.4Å; I629-V633 PolarHBondContact O-N 3.02Å; L630-V633 PolarHBondContact O-N 3.03Å; V633-T637 WeakPolarHBondContact CG1-OG1 3.43Å; V633-T637 WeakPolarHBondContact O-CB 3.48Å; V633-T637 PolarHBondContact O-N 3.08Å; V633-T637 PolarHBondContact O-OG1 2.88Å
634	N	89.9	Confident	89.9	Confident	7 Å²	7	25.7 Å²	25.7	4%	0.037	13%	0.128	C	C	.	.	H	α-helix	trans	-57.1	-51.3	176.7	-171.5	34.3	0	0	0	112.4	T547 I593 L596 D597 Y600 L630 F632 P638	T547-N634 HydrophobicContact CG2-CB 4.43Å; I593-N634 PolarHBondContact O-ND2 2.87Å; L596-N634 WeakPolarHBondContact CD1-OD1 3.46Å; D597-N634 PolarHBondContact OD1-ND2 2.95Å; Y600-N634 HydrophobicContact CD2-CB 4.31Å; Y600-N634 HydrophobicContact CE2-CB 4.03Å; L630-N634 VanDerWaalsContact O-CB 3.27Å; L630-N634 WeakPolarHBondContact O-CB 3.5Å; L630-N634 PolarHBondContact O-N 3.36Å; F632-N634 VanDerWaalsContact C-N 3.34Å; F632-N634 PolarHBondContact O-N 2.98Å; N634-P638 WeakPolarHBondContact O-CD 3.3Å
635	A	87.5	Confident	89.5	Confident	5 Å²	5	30.4 Å²	30.4	4%	0.041	15%	0.148	C	C	.	.	H	α-helix	trans	-70.2	-40.1	-176.6	0	0	0	0	0	113.4	K631 F632 I639 I750 M754	K631-A635 VanDerWaalsContact O-CB 3.24Å; K631-A635 WeakPolarHBondContact O-CB 3.31Å; K631-A635 PolarHBondContact O-N 2.85Å; F632-A635 PolarHBondContact O-N 3.45Å; A635-I639 WeakPolarHBondContact O-CD1 3.27Å; A635-I750 HydrophobicContact CB-CG2 4.29Å; A635-M754 HydrophobicContact CB-CE 3.99Å
636	F	89.9	Confident	89.1	Confident	5 Å²	5	25.8 Å²	25.8	2%	0.022	13%	0.128	C	C	.	.	H	α-helix	trans	-93.1	-21.1	-172.5	-66.3	-66.1	0	0	0	114.7	F632 I639 V640 I750 M754 L757 F758	F632-F636 HydrophobicContact CB-CD2 4.5Å; F632-F636 HydrophobicContact CD1-CD2 4.1Å; F632-F636 AromaticContact CD2-CD2 3.45Å; F632-F636 HydrophobicContact CD2-CD2 3.45Å; F632-F636 VanDerWaalsContact CD2-CD2 3.45Å; F632-F636 AromaticContact CD2-CE2 3.44Å; F632-F636 HydrophobicContact CD2-CE2 3.44Å; F632-F636 VanDerWaalsContact CD2-CE2 3.44Å; F632-F636 HydrophobicContact CE1-CD2 4.12Å; F632-F636 AromaticContact CE2-CD2 3.45Å; F632-F636 HydrophobicContact CE2-CD2 3.45Å; F632-F636 VanDerWaalsContact CE2-CD2 3.45Å; F632-F636 AromaticContact CE2-CE2 3.47Å; F632-F636 HydrophobicContact CE2-CE2 3.47Å; F632-F636 VanDerWaalsContact CE2-CE2 3.47Å; F632-F636 HydrophobicContact CE2-CG 4.48Å; F632-F636 HydrophobicContact CE2-CZ 4.48Å; F632-F636 AromaticContact CG-CD2 3.77Å; F632-F636 HydrophobicContact CG-CD2 3.77Å; F632-F636 HydrophobicContact CG-CE2 4.18Å; F632-F636 AromaticContact CZ-CD2 3.8Å; F632-F636 HydrophobicContact CZ-CD2 3.8Å; F632-F636 HydrophobicContact CZ-CE2 4.25Å; F632-F636 HydrophobicContact CZ-CG 4.49Å; F632-F636 WeakPolarHBondContact O-CB 3.5Å; F632-F636 VanDerWaalsContact O-CD2 3.23Å; F632-F636 WeakPolarHBondContact O-CD2 3.42Å; F632-F636 PolarHBondContact O-N 3.08Å; F636-I639 HydrophobicContact CD1-CD1 4.09Å; F636-I639 WeakPolarHBondContact O-CB 3.39Å; F636-I639 PolarHBondContact O-N 3.39Å; F636-V640 HydrophobicContact CB-CG2 4.48Å; F636-V640 WeakPolarHBondContact O-CB 3.41Å; F636-V640 WeakPolarHBondContact O-CG2 3.41Å; F636-V640 PolarHBondContact O-N 3.45Å; F636-I750 HydrophobicContact CE2-CD1 4.26Å; F636-M754 HydrophobicContact CD1-CE 4.03Å; F636-M754 HydrophobicContact CD1-SD 4.14Å; F636-M754 HydrophobicContact CE1-CE 3.58Å; F636-M754 HydrophobicContact CE1-CG 3.93Å; F636-M754 HydrophobicContact CE1-SD 3.45Å; F636-M754 WeakPolarHBondContact CE1-SD 2.96Å; F636-M754 HydrophobicContact CZ-CE 3.95Å; F636-M754 HydrophobicContact CZ-CG 4.1Å; F636-M754 HydrophobicContact CZ-SD 4.14Å; F636-L757 HydrophobicContact CD1-CD1 4.01Å; F636-L757 HydrophobicContact CD2-CD1 4.25Å; F636-L757 HydrophobicContact CE1-CD1 3.71Å; F636-L757 HydrophobicContact CE2-CD1 4.01Å; F636-L757 HydrophobicContact CG-CD1 4.27Å; F636-L757 HydrophobicContact CZ-CD1 3.74Å; F636-F758 HydrophobicContact CD1-CD2 4.43Å; F636-F758 AromaticContact CD1-CE2 3.69Å; F636-F758 HydrophobicContact CD1-CE2 3.69Å; F636-F758 HydrophobicContact CE1-CE2 4.14Å
637	T	90.1	Very high	88.3	Confident	16 Å²	16	26.5 Å²	26.5	10%	0.098	14%	0.138	C	C	.	.	H	α-helix	trans	-54.7	-47.1	-179	-69.8	0	0	0	0	114	F548 A551 V633 I639 V640 Y641	F548-T637 HydrophobicContact CD1-CG2 3.6Å; F548-T637 HydrophobicContact CE1-CG2 3.76Å; A551-T637 HydrophobicContact CB-CG2 3.77Å; V633-T637 WeakPolarHBondContact CG1-OG1 3.43Å; V633-T637 WeakPolarHBondContact O-CB 3.48Å; V633-T637 PolarHBondContact O-N 3.08Å; V633-T637 PolarHBondContact O-OG1 2.88Å; T637-I639 VanDerWaalsContact C-N 3.26Å; T637-I639 PolarHBondContact O-N 3.4Å; T637-V640 PolarHBondContact O-N 3.03Å; T637-Y641 PolarHBondContact O-N 3.11Å
638	P	86.4	Confident	87.8	Confident	15 Å²	15	31.4 Å²	31.4	10%	0.097	16%	0.155	C	C	.	.	H	α-helix	trans	-63.3	-32.2	177.1	-23.5	35.7	0	0	0	113.4	I593 N634 L642	I593-P638 HydrophobicContact CD1-CG 4.47Å; N634-P638 WeakPolarHBondContact O-CD 3.3Å; P638-L642 WeakPolarHBondContact O-CG 3.47Å; P638-L642 PolarHBondContact O-N 3.11Å
639	I	87.8	Confident	87.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-75.2	-46.9	-178.5	-57.7	170	0	0	0	109.6	A635 F636 T637 Y641 L642 A643 L677 L681 M754 F758	A635-I639 WeakPolarHBondContact O-CD1 3.27Å; F636-I639 HydrophobicContact CD1-CD1 4.09Å; F636-I639 WeakPolarHBondContact O-CB 3.39Å; F636-I639 PolarHBondContact O-N 3.39Å; T637-I639 VanDerWaalsContact C-N 3.26Å; T637-I639 PolarHBondContact O-N 3.4Å; I639-Y641 VanDerWaalsContact C-N 3.31Å; I639-Y641 PolarHBondContact O-N 3.18Å; I639-L642 PolarHBondContact O-N 2.82Å; I639-A643 WeakPolarHBondContact O-CB 3.4Å; I639-A643 PolarHBondContact O-N 3.39Å; I639-L677 HydrophobicContact CB-CD1 4.46Å; I639-L677 HydrophobicContact CG2-CD1 3.58Å; I639-L677 VanDerWaalsContact O-CD1 3.28Å; I639-L677 WeakPolarHBondContact O-CD1 3.37Å; I639-L681 HydrophobicContact CD1-CD2 3.86Å; I639-L681 HydrophobicContact CG2-CD2 4.01Å; I639-L681 HydrophobicContact CG2-CG 4.26Å; I639-M754 HydrophobicContact CD1-CE 3.72Å; I639-M754 HydrophobicContact CD1-SD 3.58Å; I639-M754 VanDerWaalsContact CD1-SD 3.58Å; I639-F758 HydrophobicContact CB-CE2 4.47Å; I639-F758 HydrophobicContact CB-CZ 4.35Å; I639-F758 HydrophobicContact CG2-CD1 3.9Å; I639-F758 HydrophobicContact CG2-CD2 3.85Å; I639-F758 HydrophobicContact CG2-CE1 3.71Å; I639-F758 HydrophobicContact CG2-CE2 3.68Å; I639-F758 HydrophobicContact CG2-CG 3.98Å; I639-F758 HydrophobicContact CG2-CZ 3.61Å
640	V	89.6	Confident	86.3	Confident	51 Å²	51	33.2 Å²	33.2	31%	0.309	17%	0.166	S	C	.	.	H	α-helix	trans	-57.7	-41.6	173.5	169.3	0	0	0	0	111.4	F636 T637 A643 F644 F645 F758	F636-V640 HydrophobicContact CB-CG2 4.48Å; F636-V640 WeakPolarHBondContact O-CB 3.41Å; F636-V640 WeakPolarHBondContact O-CG2 3.41Å; F636-V640 PolarHBondContact O-N 3.45Å; T637-V640 PolarHBondContact O-N 3.03Å; V640-A643 PolarHBondContact O-N 3.07Å; V640-F644 HydrophobicContact CG1-CD2 4.04Å; V640-F644 WeakPolarHBondContact O-CD2 3.43Å; V640-F644 PolarHBondContact O-N 3.36Å; V640-F644 VanDerWaalsContact O-N 3.1Å; V640-F645 HydrophobicContact CG1-CE2 4.25Å; V640-F758 HydrophobicContact CG2-CZ 3.99Å
641	Y	87.3	Confident	85.9	Confident	37 Å²	37	35.3 Å²	35.3	15%	0.145	19%	0.188	C	C	.	.	I	π-helix	trans	-60.6	-49.3	174.3	175.1	-95.5	0	0	0	112.5	I555 T637 I639 A643 F645 R646	I555-Y641 HydrophobicContact CD1-CD1 3.5Å; I555-Y641 VanDerWaalsContact CD1-CD1 3.5Å; I555-Y641 HydrophobicContact CD1-CD2 3.72Å; I555-Y641 HydrophobicContact CD1-CE1 3.48Å; I555-Y641 VanDerWaalsContact CD1-CE1 3.48Å; I555-Y641 HydrophobicContact CD1-CE2 3.71Å; I555-Y641 HydrophobicContact CD1-CG 3.62Å; I555-Y641 HydrophobicContact CG1-CD1 4.04Å; I555-Y641 HydrophobicContact CG1-CE1 3.76Å; I555-Y641 HydrophobicContact CG2-CE1 4.29Å; T637-Y641 PolarHBondContact O-N 3.11Å; I639-Y641 VanDerWaalsContact C-N 3.31Å; I639-Y641 PolarHBondContact O-N 3.18Å; Y641-A643 VanDerWaalsContact C-N 3.3Å; Y641-A643 PolarHBondContact O-N 3.02Å; Y641-F645 HydrophobicContact CD2-CB 3.74Å; Y641-F645 HydrophobicContact CD2-CG 4.49Å; Y641-F645 HydrophobicContact CE2-CB 3.95Å; Y641-F645 PolarHBondContact O-N 2.93Å; Y641-F645 VanDerWaalsContact O-N 3.12Å; Y641-R646 HydrophobicContact CE1-CB 4.2Å; Y641-R646 PolarHBondContact O-N 3.05Å
642	L	83.9	Confident	85.7	Confident	18 Å²	18	37 Å²	37	9%	0.094	19%	0.194	C	C	.	.	I	π-helix	trans	-65	-31.7	179.8	-73.7	173.9	0	0	0	113.1	P638 I639 L677 Q680	P638-L642 WeakPolarHBondContact O-CG 3.47Å; P638-L642 PolarHBondContact O-N 3.11Å; I639-L642 PolarHBondContact O-N 2.82Å; L642-L677 HydrophobicContact CB-CD1 3.85Å; L642-Q680 HydrophobicContact CD1-CB 3.75Å; L642-Q680 HydrophobicContact CD1-CG 3.8Å
643	A	86.3	Confident	85.4	Confident	9 Å²	9	34.7 Å²	34.7	7%	0.074	18%	0.184	C	C	.	.	I	π-helix	trans	-76.6	-44.6	-180	0	0	0	0	0	113.4	I639 V640 Y641 L677 F758 T824	I639-A643 WeakPolarHBondContact O-CB 3.4Å; I639-A643 PolarHBondContact O-N 3.39Å; V640-A643 PolarHBondContact O-N 3.07Å; Y641-A643 VanDerWaalsContact C-N 3.3Å; Y641-A643 PolarHBondContact O-N 3.02Å; A643-L677 HydrophobicContact CB-CD1 4.03Å; A643-L677 HydrophobicContact CB-CD2 3.86Å; A643-F758 HydrophobicContact CB-CE1 4.31Å; A643-T824 WeakPolarHBondContact O-CG2 3.39Å; A643-T824 PolarHBondContact O-OG1 2.82Å
644	F	87.1	Confident	84.9	Confident	54 Å²	54	34 Å²	34	24%	0.237	18%	0.182	C	C	.	.	I	π-helix	trans	-117.2	-35	-164.5	-55.8	-57.5	0	0	0	115.6	V640 V816 F819 V820	V640-F644 HydrophobicContact CG1-CD2 4.04Å; V640-F644 WeakPolarHBondContact O-CD2 3.43Å; V640-F644 PolarHBondContact O-N 3.36Å; V640-F644 VanDerWaalsContact O-N 3.1Å; F644-V816 HydrophobicContact CE2-CG1 4.3Å; F644-V816 HydrophobicContact CZ-CG1 4.02Å; F644-F819 HydrophobicContact CD1-CB 4.48Å; F644-F819 HydrophobicContact CE1-CB 3.67Å; F644-F819 HydrophobicContact CZ-CB 4.02Å; F644-V820 HydrophobicContact CE1-CG2 3.91Å; F644-V820 HydrophobicContact CZ-CG2 3.75Å
645	F	85.6	Confident	84.7	Confident	109 Å²	109	40.7 Å²	40.7	48%	0.478	21%	0.211	S	C	.	.	I	π-helix	trans	-96.1	-32.8	-172.3	-68.4	-87.4	0	0	0	112.8	V640 Y641 R648 L649	V640-F645 HydrophobicContact CG1-CE2 4.25Å; Y641-F645 HydrophobicContact CD2-CB 3.74Å; Y641-F645 HydrophobicContact CD2-CG 4.49Å; Y641-F645 HydrophobicContact CE2-CB 3.95Å; Y641-F645 PolarHBondContact O-N 2.93Å; Y641-F645 VanDerWaalsContact O-N 3.12Å; F645-R648 PolarHBondContact O-N 2.89Å; F645-L649 HydrophobicContact CD1-CD1 4.44Å
646	R	81.9	Confident	84.5	Confident	12 Å²	12	41.5 Å²	41.5	5%	0.045	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	137.9	-178.6	-176.5	173.3	174.5	158.4	13.3	112.3	R558 Y641 R648 E666 E667 C673 E676	R558-R646 VanDerWaalsContact CZ-NH1 3.29Å; Y641-R646 HydrophobicContact CE1-CB 4.2Å; Y641-R646 PolarHBondContact O-N 3.05Å; R646-R648 PolarHBondContact O-N 2.87Å; R646-E666 IonicContact CZ-OE2 2.64Å; R646-E666 IonicContact NH1-OE2 3.32Å; R646-E666 IonicContact NH2-OE1 3.75Å; R646-E666 IonicContact NH2-OE2 2.78Å; R646-E666 PolarHBondContact NH2-OE2 2.94Å; R646-E667 PolarHBondContact NE-O 2.71Å; R646-E667 PolarHBondContact NH2-O 2.9Å; R646-C673 WeakPolarHBondContact CD-SG 3.39Å; R646-C673 PolarHBondContact NE-SG 3.07Å; R646-C673 VanDerWaalsContact NE-SG 3.44Å; R646-E676 IonicContact CZ-OE2 2.76Å; R646-E676 IonicContact NH1-OE2 3.82Å; R646-E676 PolarHBondContact NH1-OE2 3.44Å; R646-E676 IonicContact NH2-OE1 2.7Å; R646-E676 IonicContact NH2-OE2 3.67Å
647	G	76.4	Confident	84.1	Confident	27 Å²	27	45.7 Å²	45.7	28%	0.278	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	0.4	177.5	0	0	0	0	0	115.4	E666	G647-E666 PolarHBondContact N-O 3.46Å
648	R	81.5	Confident	83.7	Confident	119 Å²	119	48.1 Å²	48.1	45%	0.449	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-25.3	179.8	-67.5	-71.3	150	116.6	3.9	113.8	F645 R646 F823	F645-R648 PolarHBondContact O-N 2.89Å; R646-R648 PolarHBondContact O-N 2.87Å; R648-F823 VanDerWaalsContact CZ-O 3.22Å; R648-F823 PolarHBondContact NH1-O 3.17Å; R648-F823 PolarHBondContact NH2-O 2.95Å
649	L	78.3	Confident	83	Confident	93 Å²	93	48.5 Å²	48.5	49%	0.487	25%	0.245	S	C	.	.	S	Bend	trans	-109.4	32.1	-174.2	-58.8	177.1	0	0	0	112.9	F645 L657 M665	F645-L649 HydrophobicContact CD1-CD1 4.44Å; L649-L657 VanDerWaalsContact O-CD2 3.32Å; L649-L657 WeakPolarHBondContact O-CD2 3.26Å; L649-M665 HydrophobicContact CB-CE 4.39Å
650	V	76.9	Confident	82	Confident	11 Å²	11	54.4 Å²	54.4	7%	0.067	28%	0.281	C	S	.	.			trans	-87.6	-28.1	-172.4	-176.4	0	0	0	0	113	Y656 L657 M665 E667	V650-Y656 HydrophobicContact CG1-CD1 4.07Å; V650-Y656 CarbonylContact O-C 3.49Å; V650-Y656 WeakPolarHBondContact O-CA 3.42Å; V650-L657 PolarHBondContact O-N 2.97Å; V650-M665 HydrophobicContact CG2-CB 4.18Å; V650-E667 HydrophobicContact CB-CG 4.35Å; V650-E667 HydrophobicContact CG1-CG 3.76Å; V650-E667 HydrophobicContact CG2-CG 3.93Å
651	G	82.9	Confident	81	Confident	45 Å²	45	55.1 Å²	55.1	46%	0.464	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.4	-144.3	-171.1	0	0	0	0	0	111.5
652	R	87	Confident	80.2	Confident	65 Å²	65	56.9 Å²	56.9	25%	0.245	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	160.5	176.6	64	165.7	177.7	97.1	-18.4	111.7	G654 K655 Y656 Y877 Y890	R652-G654 PolarHBondContact O-N 2.96Å; R652-K655 HydrophobicContact CG-CB 4.41Å; R652-K655 PolarHBondContact N-O 3.46Å; R652-K655 VanDerWaalsContact N-O 3.12Å; R652-K655 CarbonylContact O-C 3.41Å; R652-K655 WeakPolarHBondContact O-CA 3.21Å; R652-K655 PolarHBondContact O-N 3.19Å; R652-K655 VanDerWaalsContact O-O 3.07Å; R652-Y656 WeakPolarHBondContact O-CD1 3.41Å; R652-Y656 PolarHBondContact O-N 3.27Å; R652-Y877 HydrophobicContact CB-CE2 4.49Å; R652-Y890 VanDerWaalsContact CZ-CB 3.48Å
653	P	85.4	Confident	79.5	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.032	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	138.9	163.9	-25.6	35.8	0	0	0	111.4	K655 Y656 F854 F859 Y877	P653-K655 PolarHBondContact O-N 2.69Å; P653-Y656 HydrophobicContact CG-CE1 4.42Å; P653-F854 VanDerWaalsContact C-CE2 3.47Å; P653-F854 HydrophobicContact CB-CB 4.45Å; P653-F854 HydrophobicContact CB-CD1 3.66Å; P653-F854 HydrophobicContact CB-CD2 3.66Å; P653-F854 HydrophobicContact CB-CE1 3.68Å; P653-F854 HydrophobicContact CB-CE2 3.69Å; P653-F854 HydrophobicContact CB-CG 3.64Å; P653-F854 HydrophobicContact CB-CZ 3.68Å; P653-F854 HydrophobicContact CG-CG 4.34Å; P653-F854 VanDerWaalsContact O-CE2 3.24Å; P653-F854 WeakPolarHBondContact O-CE2 3.32Å; P653-F859 HydrophobicContact CB-CE1 4.22Å; P653-Y877 HydrophobicContact CG-CD1 4.1Å; P653-Y877 HydrophobicContact CG-CD2 4.12Å; P653-Y877 HydrophobicContact CG-CE1 4.41Å; P653-Y877 HydrophobicContact CG-CE2 4.39Å; P653-Y877 HydrophobicContact CG-CG 3.96Å
654	G	81.2	Confident	79.1	Confident	12 Å²	12	61.2 Å²	61.2	12%	0.124	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	-9.3	-169.7	0	0	0	0	0	115.8	R652 D858 Q860	R652-G654 PolarHBondContact O-N 2.96Å; G654-D858 VanDerWaalsContact CA-O 3.3Å; G654-D858 WeakPolarHBondContact CA-O 3.15Å; G654-Q860 WeakPolarHBondContact O-CG 3.43Å; G654-Q860 PolarHBondContact O-NE2 3.03Å
655	K	84.9	Confident	78.5	Confident	147 Å²	147	59.7 Å²	59.7	64%	0.639	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-158.8	78.3	171.4	-164.9	171.8	-178	175.4	0	112.1	R652 P653	R652-K655 HydrophobicContact CG-CB 4.41Å; R652-K655 PolarHBondContact N-O 3.46Å; R652-K655 VanDerWaalsContact N-O 3.12Å; R652-K655 CarbonylContact O-C 3.41Å; R652-K655 WeakPolarHBondContact O-CA 3.21Å; R652-K655 PolarHBondContact O-N 3.19Å; R652-K655 VanDerWaalsContact O-O 3.07Å; P653-K655 PolarHBondContact O-N 2.69Å
656	Y	83.6	Confident	77.8	Confident	21 Å²	21	55.2 Å²	55.2	8%	0.082	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	157.9	174.6	-60.9	-62.5	0	0	0	112.5	V650 R652 P653 R664	V650-Y656 HydrophobicContact CG1-CD1 4.07Å; V650-Y656 CarbonylContact O-C 3.49Å; V650-Y656 WeakPolarHBondContact O-CA 3.42Å; R652-Y656 WeakPolarHBondContact O-CD1 3.41Å; R652-Y656 PolarHBondContact O-N 3.27Å; P653-Y656 HydrophobicContact CG-CE1 4.42Å; Y656-R664 HydrophobicContact CG-CG 4.36Å; Y656-R664 PolarHBondContact OH-NH2 2.98Å
657	L	82.8	Confident	77.4	Confident	94 Å²	94	57 Å²	57	49%	0.492	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-88.2	116.8	170.5	-172.3	66.3	0	0	0	110.6	L649 V650 M665	L649-L657 VanDerWaalsContact O-CD2 3.32Å; L649-L657 WeakPolarHBondContact O-CD2 3.26Å; V650-L657 PolarHBondContact O-N 2.97Å; L657-M665 PolarHBondContact O-N 2.93Å
658	Y	80.6	Confident	77.4	Confident	66 Å²	66	57.5 Å²	57.5	26%	0.259	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.6	178.5	-71.4	-84.9	0	0	0	111.9	D425 R664	D425-Y658 VanDerWaalsContact OD2-CE1 3.24Å; D425-Y658 WeakPolarHBondContact OD2-CE1 3.24Å; D425-Y658 PolarHBondContact OD2-OH 3.47Å; Y658-R664 HydrophobicContact CD1-CB 4.32Å; Y658-R664 HydrophobicContact CE1-CB 3.89Å
659	V	72.2	Confident	76.8	Confident	23 Å²	23	53.3 Å²	53.3	14%	0.139	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.2	175.1	176.6	0	0	0	0	109.2	F552 L556 G661 S662 Y663 M665	F552-V659 HydrophobicContact CE1-CG1 4.43Å; F552-V659 HydrophobicContact CZ-CG1 3.69Å; L556-V659 HydrophobicContact CD2-CG1 3.91Å; V659-G661 PolarHBondContact O-N 2.97Å; V659-G661 VanDerWaalsContact O-N 3.12Å; V659-S662 PolarHBondContact O-N 3.44Å; V659-Y663 PolarHBondContact N-O 3.37Å; V659-Y663 PolarHBondContact O-N 3.06Å; V659-Y663 VanDerWaalsContact O-N 3.15Å; V659-M665 HydrophobicContact CG2-CG 3.81Å; V659-M665 HydrophobicContact CG2-SD 3.51Å; V659-M665 VanDerWaalsContact CG2-SD 3.51Å
660	V	67.8	Low	76.2	Confident	124 Å²	124	50 Å²	50	75%	0.752	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	31.7	-171.4	-159.1	0	0	0	0	112.4	S662	V660-S662 PolarHBondContact O-N 3.31Å; V660-S662 VanDerWaalsContact O-N 3.1Å; V660-S662 PolarHBondContact O-OG 2.92Å
661	G	68.7	Low	75.4	Confident	66 Å²	66	50 Å²	50	68%	0.68	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	-4.1	176.4	0	0	0	0	0	116.6	V659	V659-G661 PolarHBondContact O-N 2.97Å; V659-G661 VanDerWaalsContact O-N 3.12Å
662	S	68.4	Low	74.8	Confident	74 Å²	74	48.6 Å²	48.6	52%	0.517	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	-15.7	-170.6	56.5	0	0	0	0	115.6	V659 V660	V659-S662 PolarHBondContact O-N 3.44Å; V660-S662 PolarHBondContact O-N 3.31Å; V660-S662 VanDerWaalsContact O-N 3.1Å; V660-S662 PolarHBondContact O-OG 2.92Å
663	Y	69.6	Low	74.2	Confident	94 Å²	94	45.8 Å²	45.8	37%	0.369	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	114.9	-176.3	-62.4	-69.3	0	0	0	112.5	I559 V659	I559-Y663 HydrophobicContact CG2-CD1 4.13Å; I559-Y663 HydrophobicContact CG2-CG 4.42Å; V659-Y663 PolarHBondContact N-O 3.37Å; V659-Y663 PolarHBondContact O-N 3.06Å; V659-Y663 VanDerWaalsContact O-N 3.15Å
664	R	77.8	Confident	73.6	Confident	24 Å²	24	45.7 Å²	45.7	9%	0.091	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	136.9	173.2	174.8	173	163.2	-165.1	-4.3	111.1	P422 D425 Y656 Y658 E667	P422-R664 PolarHBondContact O-NH1 2.93Å; P422-R664 PolarHBondContact O-NH2 3.44Å; D425-R664 WeakPolarHBondContact OD1-CD 3.24Å; D425-R664 IonicContact OD1-CZ 2.74Å; D425-R664 IonicContact OD1-NE 2.93Å; D425-R664 IonicContact OD1-NH1 2.66Å; D425-R664 PolarHBondContact OD1-NH1 3.33Å; Y656-R664 HydrophobicContact CG-CG 4.36Å; Y656-R664 PolarHBondContact OH-NH2 2.98Å; Y658-R664 HydrophobicContact CD1-CB 4.32Å; Y658-R664 HydrophobicContact CE1-CB 3.89Å; R664-E667 IonicContact CZ-OE1 2.74Å; R664-E667 IonicContact NE-OE1 3.61Å; R664-E667 IonicContact NH2-OE1 2.7Å; R664-E667 PolarHBondContact NH2-OE1 3.42Å; R664-E667 IonicContact NH2-OE2 3.53Å
665	M	75.3	Confident	73.3	Confident	23 Å²	23	47.2 Å²	47.2	11%	0.113	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-62.5	145.7	178	-78.9	-70	-85.3	0	0	113.4	L649 V650 L657 V659 E667	L649-M665 HydrophobicContact CB-CE 4.39Å; V650-M665 HydrophobicContact CG2-CB 4.18Å; L657-M665 PolarHBondContact O-N 2.93Å; V659-M665 HydrophobicContact CG2-CG 3.81Å; V659-M665 HydrophobicContact CG2-SD 3.51Å; V659-M665 VanDerWaalsContact CG2-SD 3.51Å; M665-E667 PolarHBondContact O-N 2.85Å
666	E	70.7	Confident	72.9	Confident	14 Å²	14	41.2 Å²	41.2	7%	0.065	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-70.5	121	178.2	-82.8	-116.7	102.6	0	0	113.1	R558 I559 K562 R646 G647	R558-E666 IonicContact CZ-OE2 2.61Å; R558-E666 VanDerWaalsContact CZ-OE2 3.26Å; R558-E666 IonicContact NE-OE2 3.75Å; R558-E666 PolarHBondContact NE-OE2 2.92Å; R558-E666 IonicContact NH2-OE2 2.84Å; R558-E666 PolarHBondContact NH2-OE2 3.49Å; R558-E666 VanDerWaalsContact NH2-OE2 3.08Å; I559-E666 HydrophobicContact CD1-CG 4.48Å; I559-E666 HydrophobicContact CG1-CG 3.78Å; K562-E666 WeakPolarHBondContact CD-OE1 3.4Å; K562-E666 WeakPolarHBondContact CE-OE1 3.46Å; K562-E666 IonicContact NZ-OE1 2.71Å; K562-E666 PolarHBondContact NZ-OE1 3.15Å; R646-E666 IonicContact CZ-OE2 2.64Å; R646-E666 IonicContact NH1-OE2 3.32Å; R646-E666 IonicContact NH2-OE1 3.75Å; R646-E666 IonicContact NH2-OE2 2.78Å; R646-E666 PolarHBondContact NH2-OE2 2.94Å; G647-E666 PolarHBondContact N-O 3.46Å
667	E	74.4	Confident	72.6	Confident	49 Å²	49	40.2 Å²	40.2	23%	0.229	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-71	164.9	165.7	-71.2	164.1	-159	0	0	112.3	L423 R646 V650 R664 M665	L423-E667 WeakPolarHBondContact CD2-OE2 3.25Å; R646-E667 PolarHBondContact NE-O 2.71Å; R646-E667 PolarHBondContact NH2-O 2.9Å; V650-E667 HydrophobicContact CB-CG 4.35Å; V650-E667 HydrophobicContact CG1-CG 3.76Å; V650-E667 HydrophobicContact CG2-CG 3.93Å; R664-E667 IonicContact CZ-OE1 2.74Å; R664-E667 IonicContact NE-OE1 3.61Å; R664-E667 IonicContact NH2-OE1 2.7Å; R664-E667 PolarHBondContact NH2-OE1 3.42Å; R664-E667 IonicContact NH2-OE2 3.53Å; M665-E667 PolarHBondContact O-N 2.85Å
668	C	74.6	Confident	72.4	Confident	39 Å²	39	36 Å²	36	26%	0.264	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-84.1	163.8	165.2	-67.4	0	0	0	0	110.6	C673	C668-C673 WeakPolarHBondContact CA-SG 3.35Å; C668-C673 HydrophobicContact CB-CB 4.13Å; C668-C673 WeakPolarHBondContact CB-SG 3.3Å; C668-C673 WeakPolarHBondContact SG-CB 3.38Å; C668-C673 CovalentContact SG-SG 2.04Å; C668-C673 PolarHBondContact SG-SG 3.1Å
669	A	69.3	Low	72.4	Confident	30 Å²	30	36.8 Å²	36.8	25%	0.248	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-65.9	159.7	160	0	0	0	0	0	110.2	A671 G672	A669-A671 PolarHBondContact O-N 3.28Å; A669-A671 VanDerWaalsContact O-N 3.15Å; A669-G672 WeakPolarHBondContact O-CA 3.31Å; A669-G672 PolarHBondContact O-N 3.28Å
670	H	65.4	Low	72.7	Confident	24 Å²	24	36.6 Å²	36.6	11%	0.111	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-37.6	-177.5	-162.3	-58.1	0	0	0	113.4	W431 L433 A436 G672 K878	W431-H670 HydrophobicContact CH2-CB 4.2Å; L433-H670 WeakPolarHBondContact CD1-CD2 3.42Å; L433-H670 VanDerWaalsContact CD1-NE2 3.29Å; L433-H670 WeakPolarHBondContact CD1-NE2 3.41Å; A436-H670 HydrophobicContact CB-CB 4.17Å; H670-G672 PolarHBondContact O-N 3.25Å; H670-K878 PolarHBondContact O-NZ 2.96Å
671	A	60.7	Low	73.3	Confident	12 Å²	12	31 Å²	31	10%	0.099	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	13.5	178.3	0	0	0	0	0	114.3	T439 A440 S443 A669	T439-A671 VanDerWaalsContact C-CB 3.49Å; T439-A671 WeakPolarHBondContact O-CB 3.47Å; A440-A671 HydrophobicContact CB-CB 4.4Å; S443-A671 WeakPolarHBondContact CB-O 3.1Å; S443-A671 PolarHBondContact OG-O 3.02Å; A669-A671 PolarHBondContact O-N 3.28Å; A669-A671 VanDerWaalsContact O-N 3.15Å
672	G	69.7	Low	73.7	Confident	15 Å²	15	29 Å²	29	16%	0.155	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	93.1	178.5	-178.9	0	0	0	0	0	114.3	A669 H670	A669-G672 WeakPolarHBondContact O-CA 3.31Å; A669-G672 PolarHBondContact O-N 3.28Å; H670-G672 PolarHBondContact O-N 3.25Å
673	C	75.1	Confident	74.1	Confident	5 Å²	5	28.2 Å²	28.2	3%	0.034	15%	0.15	C	C	.	.	S	Bend	trans	-92.8	-5.8	173.9	-83.2	0	0	0	0	113.4	R646 C668 M675 E676 L677	R646-C673 WeakPolarHBondContact CD-SG 3.39Å; R646-C673 PolarHBondContact NE-SG 3.07Å; R646-C673 VanDerWaalsContact NE-SG 3.44Å; C668-C673 WeakPolarHBondContact CA-SG 3.35Å; C668-C673 HydrophobicContact CB-CB 4.13Å; C668-C673 WeakPolarHBondContact CB-SG 3.3Å; C668-C673 WeakPolarHBondContact SG-CB 3.38Å; C668-C673 CovalentContact SG-SG 2.04Å; C668-C673 PolarHBondContact SG-SG 3.1Å; C673-M675 VanDerWaalsContact C-N 3.31Å; C673-M675 PolarHBondContact O-N 2.99Å; C673-E676 PolarHBondContact O-N 3.27Å; C673-L677 PolarHBondContact O-N 3.47Å
674	L	73.3	Confident	74.3	Confident	3 Å²	3	24.3 Å²	24.3	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-57.5	-39.4	-173.2	-166	153.3	0	0	0	112.6	F446 D447 E676 L677 C678 S761	F446-L674 HydrophobicContact CB-CD2 3.57Å; F446-L674 HydrophobicContact CG-CD2 4.46Å; D447-L674 HydrophobicContact CB-CD1 4.38Å; L674-E676 PolarHBondContact O-N 3.47Å; L674-L677 WeakPolarHBondContact O-CB 3.2Å; L674-L677 PolarHBondContact O-N 3.38Å; L674-C678 PolarHBondContact O-N 2.92Å; L674-C678 PolarHBondContact O-SG 2.97Å; L674-S761 WeakPolarHBondContact CD2-O 3.4Å
675	M	74.9	Confident	74.2	Confident	45 Å²	45	23.9 Å²	23.9	22%	0.222	14%	0.135	C	C	.	.	H	α-helix	trans	-61.1	-37.2	172.3	-73	-59.5	-57.6	0	0	113.9	A442 F446 C673 I679	A442-M675 HydrophobicContact CB-CE 4.05Å; A442-M675 HydrophobicContact CB-SD 4.15Å; F446-M675 HydrophobicContact CD2-CE 4.46Å; F446-M675 HydrophobicContact CD2-SD 3.46Å; F446-M675 WeakPolarHBondContact CD2-SD 3.48Å; F446-M675 HydrophobicContact CE2-CE 3.95Å; F446-M675 HydrophobicContact CE2-SD 3.55Å; F446-M675 VanDerWaalsContact CE2-SD 3.55Å; C673-M675 VanDerWaalsContact C-N 3.31Å; C673-M675 PolarHBondContact O-N 2.99Å; M675-I679 WeakPolarHBondContact O-CD1 3.24Å; M675-I679 VanDerWaalsContact O-CG1 3.3Å; M675-I679 WeakPolarHBondContact O-CG1 3.48Å; M675-I679 PolarHBondContact O-N 3.36Å; M675-I679 VanDerWaalsContact O-N 3.13Å
676	E	75.4	Confident	73.9	Confident	20 Å²	20	26 Å²	26	9%	0.093	15%	0.146	C	C	.	.	H	α-helix	trans	-74.6	-31.4	176.9	-64.7	-164.5	-154.8	0	0	111.7	R558 K582 R646 C673 L674 Q680	R558-E676 IonicContact CZ-OE2 3.26Å; R558-E676 IonicContact NH1-OE2 2.74Å; R558-E676 PolarHBondContact NH1-OE2 2.96Å; R558-E676 VanDerWaalsContact NH1-OE2 3.09Å; R558-E676 IonicContact NH2-OE1 3.52Å; R558-E676 IonicContact NH2-OE2 3.08Å; R558-E676 PolarHBondContact NH2-OE2 3.4Å; K582-E676 WeakPolarHBondContact CE-OE1 3.5Å; K582-E676 IonicContact NZ-OE1 3.68Å; K582-E676 PolarHBondContact NZ-OE1 2.98Å; K582-E676 IonicContact NZ-OE2 3.72Å; R646-E676 IonicContact CZ-OE2 2.76Å; R646-E676 IonicContact NH1-OE2 3.82Å; R646-E676 PolarHBondContact NH1-OE2 3.44Å; R646-E676 IonicContact NH2-OE1 2.7Å; R646-E676 IonicContact NH2-OE2 3.67Å; C673-E676 PolarHBondContact O-N 3.27Å; L674-E676 PolarHBondContact O-N 3.47Å; E676-Q680 WeakPolarHBondContact O-CB 3.45Å; E676-Q680 PolarHBondContact O-N 2.9Å
677	L	78.4	Confident	73.8	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.6	-47	171.7	-168.4	68.4	0	0	0	111	I639 L642 A643 C673 L674 I679 Q680 L681 F758	I639-L677 HydrophobicContact CB-CD1 4.46Å; I639-L677 HydrophobicContact CG2-CD1 3.58Å; I639-L677 VanDerWaalsContact O-CD1 3.28Å; I639-L677 WeakPolarHBondContact O-CD1 3.37Å; L642-L677 HydrophobicContact CB-CD1 3.85Å; A643-L677 HydrophobicContact CB-CD1 4.03Å; A643-L677 HydrophobicContact CB-CD2 3.86Å; C673-L677 PolarHBondContact O-N 3.47Å; L674-L677 WeakPolarHBondContact O-CB 3.2Å; L674-L677 PolarHBondContact O-N 3.38Å; L677-I679 PolarHBondContact O-N 3.04Å; L677-Q680 PolarHBondContact O-N 2.91Å; L677-L681 HydrophobicContact CG-CD1 4.08Å; L677-L681 WeakPolarHBondContact O-CB 3.37Å; L677-L681 WeakPolarHBondContact O-CG 3.44Å; L677-L681 PolarHBondContact O-N 2.88Å; L677-F758 HydrophobicContact CD2-CD1 4.37Å
678	C	78.6	Confident	73.4	Confident	6 Å²	6	25.3 Å²	25.3	4%	0.041	15%	0.148	C	C	.	.	H	α-helix	trans	-58.2	-48.2	175.6	-65	0	0	0	0	112.3	L674 L681 C682 S761 F762	L674-C678 PolarHBondContact O-N 2.92Å; L674-C678 PolarHBondContact O-SG 2.97Å; C678-L681 PolarHBondContact O-N 3.48Å; C678-C682 WeakPolarHBondContact O-CB 3.24Å; C678-C682 PolarHBondContact O-N 3Å; C678-C682 PolarHBondContact O-SG 2.94Å; C678-S761 PolarHBondContact SG-O 3.36Å; C678-F762 HydrophobicContact CB-CD2 4.13Å
679	I	79	Confident	72.8	Confident	83 Å²	83	23.9 Å²	23.9	43%	0.426	14%	0.137	S	C	.	.	H	α-helix	trans	-63.5	-43.2	178.7	-68.7	165.8	0	0	0	110.5	M675 L677 C682 I683	M675-I679 WeakPolarHBondContact O-CD1 3.24Å; M675-I679 VanDerWaalsContact O-CG1 3.3Å; M675-I679 WeakPolarHBondContact O-CG1 3.48Å; M675-I679 PolarHBondContact O-N 3.36Å; M675-I679 VanDerWaalsContact O-N 3.13Å; L677-I679 PolarHBondContact O-N 3.04Å; I679-C682 PolarHBondContact O-N 3.43Å; I679-I683 HydrophobicContact CG2-CD1 3.7Å; I679-I683 HydrophobicContact CG2-CG1 4.46Å; I679-I683 WeakPolarHBondContact O-CB 3.42Å; I679-I683 VanDerWaalsContact O-CG1 3.29Å; I679-I683 WeakPolarHBondContact O-CG1 3.49Å; I679-I683 PolarHBondContact O-N 2.82Å
680	Q	78.9	Confident	72.6	Confident	19 Å²	19	27.8 Å²	27.8	9%	0.089	15%	0.153	C	C	.	.	H	α-helix	trans	-64.8	-41.2	176.9	-171.8	62.5	47.3	0	0	111.8	N589 L642 E676 L677 I683 T684	N589-Q680 PolarHBondContact ND2-NE2 3.24Å; L642-Q680 HydrophobicContact CD1-CB 3.75Å; L642-Q680 HydrophobicContact CD1-CG 3.8Å; E676-Q680 WeakPolarHBondContact O-CB 3.45Å; E676-Q680 PolarHBondContact O-N 2.9Å; L677-Q680 PolarHBondContact O-N 2.91Å; Q680-I683 PolarHBondContact O-N 2.79Å; Q680-T684 WeakPolarHBondContact O-CB 3.45Å; Q680-T684 PolarHBondContact O-N 3.17Å
681	L	80.1	Confident	72.3	Confident	7 Å²	7	29.8 Å²	29.8	4%	0.037	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-45.2	174.8	-80	162.6	0	0	0	111.7	I639 L677 C678 T684 M685 M754 F758	I639-L681 HydrophobicContact CD1-CD2 3.86Å; I639-L681 HydrophobicContact CG2-CD2 4.01Å; I639-L681 HydrophobicContact CG2-CG 4.26Å; L677-L681 HydrophobicContact CG-CD1 4.08Å; L677-L681 WeakPolarHBondContact O-CB 3.37Å; L677-L681 WeakPolarHBondContact O-CG 3.44Å; L677-L681 PolarHBondContact O-N 2.88Å; C678-L681 PolarHBondContact O-N 3.48Å; L681-T684 PolarHBondContact O-N 2.98Å; L681-M685 VanDerWaalsContact O-CB 3.24Å; L681-M685 WeakPolarHBondContact O-CB 3.23Å; L681-M685 PolarHBondContact O-N 2.85Å; L681-M754 HydrophobicContact CD2-SD 3.86Å; L681-F758 HydrophobicContact CD1-CB 3.77Å; L681-F758 HydrophobicContact CD1-CG 4.4Å; L681-F758 HydrophobicContact CD2-CB 4.31Å; L681-F758 HydrophobicContact CD2-CD2 4.31Å; L681-F758 HydrophobicContact CD2-CG 4.46Å
682	C	77.4	Confident	72.2	Confident	24 Å²	24	31 Å²	31	16%	0.162	17%	0.168	C	C	.	.	H	α-helix	trans	-61.9	-45.3	175.4	-66.1	0	0	0	0	111.5	C678 I679 T684 L686 F762	C678-C682 WeakPolarHBondContact O-CB 3.24Å; C678-C682 PolarHBondContact O-N 3Å; C678-C682 PolarHBondContact O-SG 2.94Å; I679-C682 PolarHBondContact O-N 3.43Å; C682-T684 VanDerWaalsContact C-N 3.34Å; C682-T684 PolarHBondContact O-N 2.99Å; C682-L686 HydrophobicContact CB-CD1 4.47Å; C682-L686 WeakPolarHBondContact O-CB 3.33Å; C682-L686 WeakPolarHBondContact O-CG 3.41Å; C682-L686 PolarHBondContact O-N 3.41Å; C682-F762 WeakPolarHBondContact SG-CZ 3.47Å
683	I	76.7	Confident	71.7	Confident	56 Å²	56	30.9 Å²	30.9	29%	0.287	16%	0.163	S	C	.	.	H	α-helix	trans	-68.1	-33.5	178.7	-68.8	169.9	0	0	0	111.8	A586 V590 I679 Q680 G687	A586-I683 HydrophobicContact CB-CD1 3.82Å; A586-I683 HydrophobicContact CB-CG2 4.18Å; V590-I683 HydrophobicContact CG2-CG2 3.84Å; I679-I683 HydrophobicContact CG2-CD1 3.7Å; I679-I683 HydrophobicContact CG2-CG1 4.46Å; I679-I683 WeakPolarHBondContact O-CB 3.42Å; I679-I683 VanDerWaalsContact O-CG1 3.29Å; I679-I683 WeakPolarHBondContact O-CG1 3.49Å; I679-I683 PolarHBondContact O-N 2.82Å; Q680-I683 PolarHBondContact O-N 2.79Å; I683-G687 WeakPolarHBondContact O-CA 3.34Å; I683-G687 PolarHBondContact O-N 3.34Å
684	T	74.3	Confident	70.9	Confident	13 Å²	13	34.8 Å²	34.8	8%	0.08	18%	0.184	C	C	.	.	H	α-helix	trans	-72.4	-49.2	176.8	139.3	0	0	0	0	111.8	I593 Q680 L681 C682 K688 M754	I593-T684 HydrophobicContact CD1-CG2 4.41Å; Q680-T684 WeakPolarHBondContact O-CB 3.45Å; Q680-T684 PolarHBondContact O-N 3.17Å; L681-T684 PolarHBondContact O-N 2.98Å; C682-T684 VanDerWaalsContact C-N 3.34Å; C682-T684 PolarHBondContact O-N 2.99Å; T684-K688 WeakPolarHBondContact O-CB 3.37Å; T684-K688 PolarHBondContact O-N 3.49Å; T684-K688 VanDerWaalsContact O-N 3.1Å; T684-M754 VanDerWaalsContact OG1-CE 3.31Å; T684-M754 WeakPolarHBondContact OG1-CE 3.14Å
685	M	75.3	Confident	70.2	Confident	14 Å²	14	39.5 Å²	39.5	7%	0.069	21%	0.209	C	C	.	.	H	α-helix	trans	-71.1	-54.1	-179.1	-179.8	172.1	54.6	0	0	112.2	L681 F762 F768	L681-M685 VanDerWaalsContact O-CB 3.24Å; L681-M685 WeakPolarHBondContact O-CB 3.23Å; L681-M685 PolarHBondContact O-N 2.85Å; M685-F762 HydrophobicContact CE-CE1 4.46Å; M685-F768 HydrophobicContact CE-CB 3.58Å; M685-F768 HydrophobicContact CE-CD2 3.96Å; M685-F768 HydrophobicContact CE-CG 4.3Å; M685-F768 HydrophobicContact SD-CB 4.47Å
686	L	70.6	Confident	69.6	Low	67 Å²	67	41.6 Å²	41.6	35%	0.351	22%	0.217	S	C	.	.	H	α-helix	trans	-72.3	-42.3	179.3	-58.2	172.3	0	0	0	110.9	C682 L690 F768	C682-L686 HydrophobicContact CB-CD1 4.47Å; C682-L686 WeakPolarHBondContact O-CB 3.33Å; C682-L686 WeakPolarHBondContact O-CG 3.41Å; C682-L686 PolarHBondContact O-N 3.41Å; L686-L690 WeakPolarHBondContact O-CB 3.4Å; L686-L690 PolarHBondContact O-N 2.93Å; L686-F768 HydrophobicContact CD1-CD2 4.23Å; L686-F768 HydrophobicContact CD1-CE2 4.21Å; L686-F768 HydrophobicContact CD2-CB 4.17Å; L686-F768 HydrophobicContact CD2-CD2 4.5Å; L686-F768 HydrophobicContact CD2-CG 4.24Å
687	G	68.1	Low	68.9	Low	17 Å²	17	42.6 Å²	42.6	18%	0.175	22%	0.221	C	C	.	.	H	α-helix	trans	-68.5	-39.2	-175.7	0	0	0	0	0	113.1	I683 I691	I683-G687 WeakPolarHBondContact O-CA 3.34Å; I683-G687 PolarHBondContact O-N 3.34Å; G687-I691 WeakPolarHBondContact O-CB 3.3Å; G687-I691 WeakPolarHBondContact O-CD1 3.33Å; G687-I691 WeakPolarHBondContact O-CG1 3.42Å; G687-I691 PolarHBondContact O-N 3.48Å; G687-I691 VanDerWaalsContact O-N 3.11Å
688	K	65.6	Low	68.2	Low	33 Å²	33	44.3 Å²	44.3	14%	0.143	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-55.9	175.9	-171.5	174.8	-172.5	170.7	0	110.7	D597 T684 Q692	D597-K688 IonicContact OD2-NZ 2.91Å; D597-K688 PolarHBondContact OD2-NZ 2.89Å; T684-K688 WeakPolarHBondContact O-CB 3.37Å; T684-K688 PolarHBondContact O-N 3.49Å; T684-K688 VanDerWaalsContact O-N 3.1Å; K688-Q692 WeakPolarHBondContact O-CB 3.36Å; K688-Q692 WeakPolarHBondContact O-CG 3.48Å; K688-Q692 PolarHBondContact O-N 2.87Å
689	Q	63	Low	67.4	Low	8 Å²	8	45 Å²	45	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-70.1	-43.4	-175.1	-143.4	116	10.1	0	0	112.5	I691 Q692 N693 M748 N772 E776	Q689-I691 VanDerWaalsContact C-N 3.29Å; Q689-I691 PolarHBondContact O-N 3.42Å; Q689-Q692 PolarHBondContact O-N 2.95Å; Q689-N693 WeakPolarHBondContact CG-ND2 3.33Å; Q689-N693 WeakPolarHBondContact O-CB 3.21Å; Q689-N693 VanDerWaalsContact O-CG 3.3Å; Q689-N693 PolarHBondContact O-N 3.3Å; Q689-N693 PolarHBondContact O-OD1 3.49Å; Q689-M748 VanDerWaalsContact NE2-CE 3.32Å; Q689-N772 WeakPolarHBondContact CB-OD1 3.34Å; Q689-N772 WeakPolarHBondContact CG-OD1 3.37Å; Q689-N772 PolarHBondContact OE1-ND2 3.45Å; Q689-E776 PolarHBondContact NE2-OE1 3.37Å; Q689-E776 PolarHBondContact NE2-OE2 2.69Å
690	L	63.4	Low	66.8	Low	113 Å²	113	43.9 Å²	43.9	59%	0.592	23%	0.232	S	C	*	.	H	α-helix	trans	-66.6	-31.3	-178.2	-166.2	147.3	0	0	0	111.9	L686 N694	L686-L690 WeakPolarHBondContact O-CB 3.4Å; L686-L690 PolarHBondContact O-N 2.93Å; L690-N694 WeakPolarHBondContact O-CB 3.5Å; L690-N694 PolarHBondContact O-N 2.86Å; L690-N694 PolarHBondContact O-ND2 3.49Å
691	I	60.5	Low	66.1	Low	65 Å²	65	45.2 Å²	45.2	33%	0.333	24%	0.243	S	C	.	.	H	α-helix	trans	-77.2	-53.6	171.7	-63.9	170.4	0	0	0	110.8	V590 I594 G687 Q689 N693 L695	V590-I691 HydrophobicContact CG1-CD1 4.27Å; I594-I691 HydrophobicContact CD1-CG2 4.49Å; G687-I691 WeakPolarHBondContact O-CB 3.3Å; G687-I691 WeakPolarHBondContact O-CD1 3.33Å; G687-I691 WeakPolarHBondContact O-CG1 3.42Å; G687-I691 PolarHBondContact O-N 3.48Å; G687-I691 VanDerWaalsContact O-N 3.11Å; Q689-I691 VanDerWaalsContact C-N 3.29Å; Q689-I691 PolarHBondContact O-N 3.42Å; I691-N693 PolarHBondContact O-N 3.47Å; I691-L695 HydrophobicContact CG2-CB 4.43Å; I691-L695 HydrophobicContact CG2-CD2 4.29Å; I691-L695 WeakPolarHBondContact O-CA 3.23Å; I691-L695 WeakPolarHBondContact O-CB 3.27Å; I691-L695 PolarHBondContact O-N 2.88Å
692	Q	57.9	Low	65.4	Low	39 Å²	39	51.7 Å²	51.7	18%	0.182	27%	0.27	C	S	.	.	I	π-helix	trans	-63.1	-46.8	-175.4	-70	-167.7	-127.8	0	0	111.8	K688 Q689 F696 E697	K688-Q692 WeakPolarHBondContact O-CB 3.36Å; K688-Q692 WeakPolarHBondContact O-CG 3.48Å; K688-Q692 PolarHBondContact O-N 2.87Å; Q689-Q692 PolarHBondContact O-N 2.95Å; Q692-F696 HydrophobicContact CB-CD2 4.49Å; Q692-F696 HydrophobicContact CG-CD2 4.11Å; Q692-F696 CarbonylContact O-C 3.6Å; Q692-F696 WeakPolarHBondContact O-CA 3.35Å; Q692-F696 VanDerWaalsContact O-CB 3.32Å; Q692-F696 WeakPolarHBondContact O-CB 3.34Å; Q692-F696 PolarHBondContact O-N 3.45Å; Q692-E697 PolarHBondContact O-N 3.35Å
693	N	58.8	Low	64.7	Low	12 Å²	12	55 Å²	55	6%	0.064	29%	0.286	C	S	.	.	I	π-helix	trans	-70.2	-51	-177	-63.6	18	0	0	0	111.9	Q689 I691 E697 I698 E776 L779	Q689-N693 WeakPolarHBondContact CG-ND2 3.33Å; Q689-N693 WeakPolarHBondContact O-CB 3.21Å; Q689-N693 VanDerWaalsContact O-CG 3.3Å; Q689-N693 PolarHBondContact O-N 3.3Å; Q689-N693 PolarHBondContact O-OD1 3.49Å; I691-N693 PolarHBondContact O-N 3.47Å; N693-E697 WeakPolarHBondContact O-CB 3.46Å; N693-E697 PolarHBondContact O-N 2.89Å; N693-I698 PolarHBondContact O-N 3.11Å; N693-E776 PolarHBondContact ND2-OE2 3.03Å; N693-L779 HydrophobicContact CB-CD1 3.73Å; N693-L779 WeakPolarHBondContact ND2-CD1 3.44Å
694	N	58.3	Low	64.2	Low	86 Å²	86	58.6 Å²	58.6	46%	0.46	30%	0.3	S	S	.	.	I	π-helix	trans	-77.7	-32.4	-176.1	-62.5	-65.9	0	0	0	113.2	L690 G699	L690-N694 WeakPolarHBondContact O-CB 3.5Å; L690-N694 PolarHBondContact O-N 2.86Å; L690-N694 PolarHBondContact O-ND2 3.49Å; N694-G699 WeakPolarHBondContact O-CA 3.33Å; N694-G699 PolarHBondContact O-N 3.06Å
695	L	58.8	Low	63.7	Low	103 Å²	103	65.8 Å²	65.8	54%	0.539	33%	0.33	S	S	.	.	I	π-helix	trans	-96	-37.6	-175.6	-157.9	76.2	0	0	0	113.6	I691 G699 I700	I691-L695 HydrophobicContact CG2-CB 4.43Å; I691-L695 HydrophobicContact CG2-CD2 4.29Å; I691-L695 WeakPolarHBondContact O-CA 3.23Å; I691-L695 WeakPolarHBondContact O-CB 3.27Å; I691-L695 PolarHBondContact O-N 2.88Å; L695-G699 CarbonylContact O-C 3.48Å; L695-G699 VanDerWaalsContact O-C 3.29Å; L695-G699 WeakPolarHBondContact O-CA 3.39Å; L695-I700 PolarHBondContact O-N 2.86Å
696	F	62.5	Low	63.2	Low	88 Å²	88	70 Å²	70	39%	0.386	35%	0.352	S	S	.	.	I	π-helix	trans	-101.4	-36.8	-178.4	-59.8	-32.4	0	0	0	113.4	I594 Q692 I700	I594-F696 HydrophobicContact CG2-CE2 4.23Å; Q692-F696 HydrophobicContact CB-CD2 4.49Å; Q692-F696 HydrophobicContact CG-CD2 4.11Å; Q692-F696 CarbonylContact O-C 3.6Å; Q692-F696 WeakPolarHBondContact O-CA 3.35Å; Q692-F696 VanDerWaalsContact O-CB 3.32Å; Q692-F696 WeakPolarHBondContact O-CB 3.34Å; Q692-F696 PolarHBondContact O-N 3.45Å; F696-I700 HydrophobicContact CB-CD1 4.22Å; F696-I700 HydrophobicContact CD1-CD1 3.46Å; F696-I700 VanDerWaalsContact CD1-CD1 3.46Å; F696-I700 HydrophobicContact CD1-CG1 4.03Å; F696-I700 HydrophobicContact CE1-CD1 4.17Å; F696-I700 HydrophobicContact CG-CD1 4.15Å; F696-I700 WeakPolarHBondContact O-CB 3.22Å
697	E	61.3	Low	62.9	Low	42 Å²	42	71.7 Å²	71.7	20%	0.196	36%	0.361	C	S	.	.	I	π-helix	trans	-83.5	-55.2	178.4	-157.4	173.1	-110.9	0	0	112	Q692 N693 P701 K783	Q692-E697 PolarHBondContact O-N 3.35Å; N693-E697 WeakPolarHBondContact O-CB 3.46Å; N693-E697 PolarHBondContact O-N 2.89Å; E697-P701 WeakPolarHBondContact O-CD 3.2Å; E697-P701 WeakPolarHBondContact O-CG 3.17Å; E697-K783 HydrophobicContact CG-CD 4.21Å; E697-K783 WeakPolarHBondContact OE1-CD 3.47Å; E697-K783 WeakPolarHBondContact OE1-CE 3.3Å; E697-K783 IonicContact OE1-NZ 3.8Å; E697-K783 PolarHBondContact OE1-NZ 3.33Å
698	I	63.4	Low	62.5	Low	36 Å²	36	78.8 Å²	78.8	19%	0.185	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-40.6	173.1	-57.9	175.1	0	0	0	111.1	N693 K702 L779	N693-I698 PolarHBondContact O-N 3.11Å; I698-K702 HydrophobicContact CG2-CD 3.93Å; I698-K702 WeakPolarHBondContact O-CB 3.26Å; I698-K702 WeakPolarHBondContact O-CG 3.45Å; I698-K702 PolarHBondContact O-N 2.76Å; I698-L779 HydrophobicContact CD1-CD2 3.79Å; I698-L779 HydrophobicContact CG1-CD2 4.19Å
699	G	61.2	Low	62.1	Low	20 Å²	20	83.8 Å²	83.8	21%	0.206	40%	0.404	C	S	.	.	H	α-helix	trans	-75.4	-49.1	-166.9	0	0	0	0	0	114	N694 L695 K702 L703	N694-G699 WeakPolarHBondContact O-CA 3.33Å; N694-G699 PolarHBondContact O-N 3.06Å; L695-G699 CarbonylContact O-C 3.48Å; L695-G699 VanDerWaalsContact O-C 3.29Å; L695-G699 WeakPolarHBondContact O-CA 3.39Å; G699-K702 PolarHBondContact O-N 3.1Å; G699-L703 WeakPolarHBondContact O-CB 3.35Å; G699-L703 PolarHBondContact O-N 3.17Å
700	I	65.8	Low	62.1	Low	60 Å²	60	92.6 Å²	92.6	31%	0.308	44%	0.437	S	S	.	.	H	α-helix	trans	-64.3	-44.4	-178.3	-79.7	176.9	0	0	0	112.9	L695 F696 L703 K704	L695-I700 PolarHBondContact O-N 2.86Å; F696-I700 HydrophobicContact CB-CD1 4.22Å; F696-I700 HydrophobicContact CD1-CD1 3.46Å; F696-I700 VanDerWaalsContact CD1-CD1 3.46Å; F696-I700 HydrophobicContact CD1-CG1 4.03Å; F696-I700 HydrophobicContact CE1-CD1 4.17Å; F696-I700 HydrophobicContact CG-CD1 4.15Å; F696-I700 WeakPolarHBondContact O-CB 3.22Å; I700-L703 PolarHBondContact O-N 3.33Å; I700-K704 HydrophobicContact CG2-CD 3.63Å; I700-K704 VanDerWaalsContact CG2-CE 3.41Å; I700-K704 HydrophobicContact CG2-CG 4.2Å; I700-K704 VanDerWaalsContact CG2-NZ 3.34Å; I700-K704 VanDerWaalsContact O-CB 3.26Å; I700-K704 WeakPolarHBondContact O-CB 3.37Å; I700-K704 VanDerWaalsContact O-CG 3.29Å; I700-K704 WeakPolarHBondContact O-CG 3.29Å; I700-K704 PolarHBondContact O-N 3.48Å
701	P	64.3	Low	61.6	Low	47 Å²	47	96.6 Å²	96.6	31%	0.305	45%	0.45	S	S	.	.	H	α-helix	trans	-61.8	-44.8	176.2	-27.1	38.1	0	0	0	112.1	E697 K705	E697-P701 WeakPolarHBondContact O-CD 3.2Å; E697-P701 WeakPolarHBondContact O-CG 3.17Å; P701-K705 VanDerWaalsContact O-CB 3.29Å; P701-K705 WeakPolarHBondContact O-CB 3.36Å; P701-K705 PolarHBondContact O-N 3.49Å
702	K	65.5	Low	61.2	Low	142 Å²	142	94.2 Å²	94.2	62%	0.617	44%	0.439	S	S	*	.	H	α-helix	trans	-65.1	-40.8	175.2	-74.1	-176.6	-178.7	175.7	0	112.6	I698 G699 K705 L706	I698-K702 HydrophobicContact CG2-CD 3.93Å; I698-K702 WeakPolarHBondContact O-CB 3.26Å; I698-K702 WeakPolarHBondContact O-CG 3.45Å; I698-K702 PolarHBondContact O-N 2.76Å; G699-K702 PolarHBondContact O-N 3.1Å; K702-K705 CarbonylContact O-C 3.6Å; K702-K705 PolarHBondContact O-N 3.08Å; K702-L706 VanDerWaalsContact O-CB 3.26Å; K702-L706 WeakPolarHBondContact O-CB 3.46Å; K702-L706 PolarHBondContact O-N 3.25Å
703	L	64.2	Low	60.7	Low	94 Å²	94	99.4 Å²	99.4	49%	0.492	46%	0.463	S	S	.	.	H	α-helix	trans	-70.1	-40.1	178.5	-176.6	60.3	0	0	0	111.4	G699 I700 K705 L706 L707	G699-L703 WeakPolarHBondContact O-CB 3.35Å; G699-L703 PolarHBondContact O-N 3.17Å; I700-L703 PolarHBondContact O-N 3.33Å; L703-K705 VanDerWaalsContact C-N 3.34Å; L703-K705 PolarHBondContact O-N 2.89Å; L703-L706 PolarHBondContact O-N 3.38Å; L703-L707 HydrophobicContact CD1-CD1 4.18Å; L703-L707 HydrophobicContact CD1-CG 4.08Å; L703-L707 HydrophobicContact CG-CD1 3.93Å; L703-L707 HydrophobicContact CG-CG 4.3Å; L703-L707 VanDerWaalsContact O-CB 3.26Å; L703-L707 WeakPolarHBondContact O-CB 3.17Å; L703-L707 VanDerWaalsContact O-CG 3.23Å; L703-L707 WeakPolarHBondContact O-CG 3.47Å; L703-L707 PolarHBondContact O-N 3.49Å
704	K	64.9	Low	60.1	Low	132 Å²	132	107.4 Å²	107.4	57%	0.574	51%	0.505	S	S	*	.	H	α-helix	trans	-61	-41.9	170.1	-76.6	171.5	176.9	165.1	0	111.1	I700 R708	I700-K704 HydrophobicContact CG2-CD 3.63Å; I700-K704 VanDerWaalsContact CG2-CE 3.41Å; I700-K704 HydrophobicContact CG2-CG 4.2Å; I700-K704 VanDerWaalsContact CG2-NZ 3.34Å; I700-K704 VanDerWaalsContact O-CB 3.26Å; I700-K704 WeakPolarHBondContact O-CB 3.37Å; I700-K704 VanDerWaalsContact O-CG 3.29Å; I700-K704 WeakPolarHBondContact O-CG 3.29Å; I700-K704 PolarHBondContact O-N 3.48Å; K704-R708 WeakPolarHBondContact O-CB 3.42Å; K704-R708 VanDerWaalsContact O-CG 3.27Å; K704-R708 WeakPolarHBondContact O-CG 3.46Å; K704-R708 PolarHBondContact O-N 3.49Å
705	K	63.9	Low	59.7	Low	164 Å²	164	106.1 Å²	106.1	71%	0.713	50%	0.501	S	S	*	.	H	α-helix	trans	-65.8	-38.7	175.1	-170.9	169.1	-177.1	171	0	112.2	P701 K702 L703 K709	P701-K705 VanDerWaalsContact O-CB 3.29Å; P701-K705 WeakPolarHBondContact O-CB 3.36Å; P701-K705 PolarHBondContact O-N 3.49Å; K702-K705 CarbonylContact O-C 3.6Å; K702-K705 PolarHBondContact O-N 3.08Å; L703-K705 VanDerWaalsContact C-N 3.34Å; L703-K705 PolarHBondContact O-N 2.89Å; K705-K709 WeakPolarHBondContact O-CB 2.99Å; K705-K709 PolarHBondContact O-N 2.64Å
706	L	64.6	Low	59.1	Low	101 Å²	101	103.9 Å²	103.9	53%	0.529	49%	0.493	S	S	.	.	H	α-helix	trans	-75.7	-37.3	179	-171.5	146.3	0	0	0	112.6	K702 L703 K709 R710	K702-L706 VanDerWaalsContact O-CB 3.26Å; K702-L706 WeakPolarHBondContact O-CB 3.46Å; K702-L706 PolarHBondContact O-N 3.25Å; L703-L706 PolarHBondContact O-N 3.38Å; L706-K709 PolarHBondContact O-N 3.21Å; L706-R710 WeakPolarHBondContact O-CB 3.17Å; L706-R710 PolarHBondContact O-N 3.21Å
707	L	65.9	Low	58.4	Low	104 Å²	104	108 Å²	108	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-68.2	-34.9	171.7	-72.6	170.5	0	0	0	111.8	L703 K711	L703-L707 HydrophobicContact CD1-CD1 4.18Å; L703-L707 HydrophobicContact CD1-CG 4.08Å; L703-L707 HydrophobicContact CG-CD1 3.93Å; L703-L707 HydrophobicContact CG-CG 4.3Å; L703-L707 VanDerWaalsContact O-CB 3.26Å; L703-L707 WeakPolarHBondContact O-CB 3.17Å; L703-L707 VanDerWaalsContact O-CG 3.23Å; L703-L707 WeakPolarHBondContact O-CG 3.47Å; L703-L707 PolarHBondContact O-N 3.49Å; L707-K711 VanDerWaalsContact O-CB 3.31Å; L707-K711 WeakPolarHBondContact O-CB 3.18Å; L707-K711 PolarHBondContact O-N 3.03Å
708	R	59.5	Low	57.7	Low	166 Å²	166	112.4 Å²	112.4	63%	0.626	53%	0.532	S	S	*	.	H	α-helix	trans	-62	-54.5	166.6	-76.6	176.2	-177.9	-171.2	1.8	110.3	K704 R710 K711 S712	K704-R708 WeakPolarHBondContact O-CB 3.42Å; K704-R708 VanDerWaalsContact O-CG 3.27Å; K704-R708 WeakPolarHBondContact O-CG 3.46Å; K704-R708 PolarHBondContact O-N 3.49Å; R708-R710 VanDerWaalsContact C-N 3.35Å; R708-R710 PolarHBondContact O-N 3.13Å; R708-K711 CarbonylContact O-C 3.51Å; R708-K711 WeakPolarHBondContact O-CA 3.35Å; R708-K711 WeakPolarHBondContact O-CB 3.38Å; R708-K711 PolarHBondContact O-N 3.22Å; R708-S712 WeakPolarHBondContact O-CB 3.28Å; R708-S712 PolarHBondContact O-N 2.87Å; R708-S712 PolarHBondContact O-OG 3.5Å; R708-S712 VanDerWaalsContact O-OG 3.08Å
709	K	56	Low	57.1	Low	138 Å²	138	115 Å²	115	60%	0.6	54%	0.543	S	S	*	.	H	α-helix	trans	-54.4	-44.6	179.4	-170.3	179	-178.4	-178	0	113.2	K705 L706 K711 S712 E713	K705-K709 WeakPolarHBondContact O-CB 2.99Å; K705-K709 PolarHBondContact O-N 2.64Å; L706-K709 PolarHBondContact O-N 3.21Å; K709-K711 PolarHBondContact O-N 3.13Å; K709-S712 CarbonylContact O-C 3.57Å; K709-S712 PolarHBondContact O-N 3.28Å; K709-E713 WeakPolarHBondContact O-CG 3.43Å; K709-E713 PolarHBondContact O-N 2.91Å
710	R	62.3	Low	56.7	Low	193 Å²	193	119.3 Å²	119.3	73%	0.728	56%	0.558	S	S	*	*	H	α-helix	trans	-71.5	-13.9	177.2	-158.3	176.3	-168.2	-179.4	4.4	113.4	L706 R708	L706-R710 WeakPolarHBondContact O-CB 3.17Å; L706-R710 PolarHBondContact O-N 3.21Å; R708-R710 VanDerWaalsContact C-N 3.35Å; R708-R710 PolarHBondContact O-N 3.13Å
711	K	54.7	Low	55.9	Low	196 Å²	196	122.6 Å²	122.6	85%	0.852	57%	0.572	S	S	*	*	H	α-helix	trans	-97.4	-7.8	170.1	-167.3	171.2	-178.4	175.2	0	112.4	L707 R708 K709	L707-K711 VanDerWaalsContact O-CB 3.31Å; L707-K711 WeakPolarHBondContact O-CB 3.18Å; L707-K711 PolarHBondContact O-N 3.03Å; R708-K711 CarbonylContact O-C 3.51Å; R708-K711 WeakPolarHBondContact O-CA 3.35Å; R708-K711 WeakPolarHBondContact O-CB 3.38Å; R708-K711 PolarHBondContact O-N 3.22Å; K709-K711 PolarHBondContact O-N 3.13Å
712	S	50.8	Low	55.4	Low	16 Å²	16	124 Å²	124	11%	0.112	58%	0.576	C	S	.	*			trans	-129	32	-175.1	70.1	0	0	0	0	113.7	R708 K709 L714 T715 S716 E719	R708-S712 WeakPolarHBondContact O-CB 3.28Å; R708-S712 PolarHBondContact O-N 2.87Å; R708-S712 PolarHBondContact O-OG 3.5Å; R708-S712 VanDerWaalsContact O-OG 3.08Å; K709-S712 CarbonylContact O-C 3.57Å; K709-S712 PolarHBondContact O-N 3.28Å; S712-L714 PolarHBondContact O-N 3.27Å; S712-L714 VanDerWaalsContact O-N 3.14Å; S712-T715 WeakPolarHBondContact O-CA 3.48Å; S712-T715 PolarHBondContact O-N 3.1Å; S712-S716 PolarHBondContact O-N 2.88Å; S712-E719 PolarHBondContact OG-OE2 3.47Å
713	E	48.2	Very low	55	Low	147 Å²	147	122.1 Å²	122.1	69%	0.687	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-26.9	-180	-65	-172	155.1	0	0	112.9	K709 T715	K709-E713 WeakPolarHBondContact O-CG 3.43Å; K709-E713 PolarHBondContact O-N 2.91Å; E713-T715 VanDerWaalsContact C-N 3.32Å; E713-T715 PolarHBondContact O-N 3.32Å
714	L	45.7	Very low	54.8	Low	180 Å²	180	123.8 Å²	123.8	94%	0.942	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-11	172.1	-155.4	73.8	0	0	0	114.2	S712	S712-L714 PolarHBondContact O-N 3.27Å; S712-L714 VanDerWaalsContact O-N 3.14Å
715	T	49.2	Very low	54.6	Low	60 Å²	60	120.7 Å²	120.7	37%	0.368	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-115.2	-15.5	-169.4	-36	0	0	0	0	113.4	S712 E713 K717 Q718 E719	S712-T715 WeakPolarHBondContact O-CA 3.48Å; S712-T715 PolarHBondContact O-N 3.1Å; E713-T715 VanDerWaalsContact C-N 3.32Å; E713-T715 PolarHBondContact O-N 3.32Å; T715-K717 PolarHBondContact O-N 3.47Å; T715-K717 VanDerWaalsContact O-N 3.17Å; T715-Q718 CarbonylContact O-C 3.59Å; T715-Q718 WeakPolarHBondContact O-CA 3.16Å; T715-Q718 WeakPolarHBondContact O-CB 3.39Å; T715-Q718 PolarHBondContact O-N 2.86Å; T715-E719 PolarHBondContact O-N 3.06Å
716	S	47.3	Very low	55	Low	55 Å²	55	113.7 Å²	113.7	39%	0.385	54%	0.535	S	S	.	.	H	α-helix	trans	-48.8	-46.4	-168.3	58.1	0	0	0	0	116.4	S712 E719 E720	S712-S716 PolarHBondContact O-N 2.88Å; S716-E719 PolarHBondContact O-N 2.83Å; S716-E720 PolarHBondContact O-N 3.01Å; S716-E720 VanDerWaalsContact O-N 3.1Å
717	K	47.3	Very low	55.6	Low	176 Å²	176	113.6 Å²	113.6	77%	0.765	53%	0.531	S	S	*	.	H	α-helix	trans	-63.1	-44.7	176.1	-69.1	-173.9	176.3	-176	0	112.1	T715 E719 E720 E721	T715-K717 PolarHBondContact O-N 3.47Å; T715-K717 VanDerWaalsContact O-N 3.17Å; K717-E719 VanDerWaalsContact C-N 3.33Å; K717-E719 PolarHBondContact O-N 3.1Å; K717-E720 PolarHBondContact O-N 2.83Å; K717-E721 PolarHBondContact O-N 3.45Å
718	Q	47.9	Very low	56.3	Low	134 Å²	134	109.7 Å²	109.7	63%	0.626	51%	0.509	S	S	*	.	H	α-helix	trans	-70.1	-30.9	-179.5	-161.4	173.4	27.4	0	0	111.8	T715 L722	T715-Q718 CarbonylContact O-C 3.59Å; T715-Q718 WeakPolarHBondContact O-CA 3.16Å; T715-Q718 WeakPolarHBondContact O-CB 3.39Å; T715-Q718 PolarHBondContact O-N 2.86Å; Q718-L722 WeakPolarHBondContact O-CB 3.23Å; Q718-L722 PolarHBondContact O-N 2.89Å
719	E	49.8	Very low	57.3	Low	89 Å²	89	102.4 Å²	102.4	42%	0.416	48%	0.481	S	S	.	.	H	α-helix	trans	-71.1	-33.4	173.5	-166.1	172.4	-176	0	0	111.6	S712 T715 S716 K717 H723	S712-E719 PolarHBondContact OG-OE2 3.47Å; T715-E719 PolarHBondContact O-N 3.06Å; S716-E719 PolarHBondContact O-N 2.83Å; K717-E719 VanDerWaalsContact C-N 3.33Å; K717-E719 PolarHBondContact O-N 3.1Å; E719-H723 WeakPolarHBondContact O-CB 3.43Å; E719-H723 PolarHBondContact O-N 2.97Å
720	E	52.2	Low	58.6	Low	111 Å²	111	95.9 Å²	95.9	52%	0.519	45%	0.453	S	S	.	.	H	α-helix	trans	-74	-41.4	174.1	-160.7	-171.7	127.7	0	0	112.6	S716 K717 L722 H723 K724	S716-E720 PolarHBondContact O-N 3.01Å; S716-E720 VanDerWaalsContact O-N 3.1Å; K717-E720 PolarHBondContact O-N 2.83Å; E720-L722 VanDerWaalsContact C-N 3.32Å; E720-H723 PolarHBondContact O-N 3.36Å; E720-K724 WeakPolarHBondContact O-CG 3.24Å; E720-K724 PolarHBondContact O-N 3.05Å; E720-K724 WeakPolarHBondContact OE1-CE 3.37Å; E720-K724 IonicContact OE1-NZ 3.12Å; E720-K724 PolarHBondContact OE1-NZ 2.89Å
721	E	50.3	Low	59.4	Low	130 Å²	130	88 Å²	88	61%	0.607	42%	0.424	S	S	*	.	H	α-helix	trans	-63	-38.4	170	-71.9	-178.1	143.7	0	0	111.8	K717 K724 T725	K717-E721 PolarHBondContact O-N 3.45Å; E721-K724 PolarHBondContact O-N 3.35Å; E721-T725 WeakPolarHBondContact O-CB 3.38Å; E721-T725 VanDerWaalsContact O-CG2 3.3Å; E721-T725 WeakPolarHBondContact O-CG2 3.3Å; E721-T725 PolarHBondContact O-N 3.35Å; E721-T725 PolarHBondContact O-OG1 3.42Å
722	L	52.6	Low	60.8	Low	75 Å²	75	78.7 Å²	78.7	39%	0.393	38%	0.383	S	S	.	.	H	α-helix	trans	-60.9	-46.8	171.5	-173	66.4	0	0	0	110.3	K191 Q718 E720 K724 T725 L726	K191-L722 HydrophobicContact CB-CD1 4.28Å; K191-L722 HydrophobicContact CD-CD1 3.9Å; Q718-L722 WeakPolarHBondContact O-CB 3.23Å; Q718-L722 PolarHBondContact O-N 2.89Å; E720-L722 VanDerWaalsContact C-N 3.32Å; L722-K724 VanDerWaalsContact C-N 3.33Å; L722-K724 PolarHBondContact O-N 3.14Å; L722-T725 CarbonylContact O-C 3.29Å; L722-T725 PolarHBondContact O-N 2.96Å; L722-T725 VanDerWaalsContact O-N 3.08Å; L722-T725 PolarHBondContact O-OG1 2.84Å; L722-L726 HydrophobicContact CD1-CG 4.43Å; L722-L726 HydrophobicContact CG-CD1 4.18Å; L722-L726 HydrophobicContact CG-CG 4.21Å; L722-L726 WeakPolarHBondContact O-CB 3.13Å; L722-L726 VanDerWaalsContact O-CG 3.24Å; L722-L726 WeakPolarHBondContact O-CG 3.38Å; L722-L726 PolarHBondContact O-N 2.97Å
723	H	58	Low	62.4	Low	103 Å²	103	79.4 Å²	79.4	48%	0.477	39%	0.385	S	S	.	.	H	α-helix	trans	-67.7	-29.3	179.7	-147.8	-82.7	0	0	0	113.9	E719 E720 K731	E719-H723 WeakPolarHBondContact O-CB 3.43Å; E719-H723 PolarHBondContact O-N 2.97Å; E720-H723 PolarHBondContact O-N 3.36Å; H723-K731 WeakPolarHBondContact O-CE 3.34Å; H723-K731 PolarHBondContact O-NZ 2.86Å
724	K	58.8	Low	64	Low	130 Å²	130	76.6 Å²	76.6	57%	0.565	38%	0.378	S	S	*	.	H	α-helix	trans	-70.3	-35.1	169.6	-78.5	164.4	171.4	163.3	0	112	E720 E721 L722	E720-K724 WeakPolarHBondContact O-CG 3.24Å; E720-K724 PolarHBondContact O-N 3.05Å; E720-K724 WeakPolarHBondContact OE1-CE 3.37Å; E720-K724 IonicContact OE1-NZ 3.12Å; E720-K724 PolarHBondContact OE1-NZ 2.89Å; E721-K724 PolarHBondContact O-N 3.35Å; L722-K724 VanDerWaalsContact C-N 3.33Å; L722-K724 PolarHBondContact O-N 3.14Å
725	T	62.6	Low	65.8	Low	67 Å²	67	69.7 Å²	69.7	41%	0.411	34%	0.342	S	S	.	.	H	α-helix	trans	-102.4	6.5	-175.1	67	0	0	0	0	115.4	K191 E721 L722	K191-T725 PolarHBondContact NZ-O 3.49Å; K191-T725 PolarHBondContact NZ-OG1 3.33Å; E721-T725 WeakPolarHBondContact O-CB 3.38Å; E721-T725 VanDerWaalsContact O-CG2 3.3Å; E721-T725 WeakPolarHBondContact O-CG2 3.3Å; E721-T725 PolarHBondContact O-N 3.35Å; E721-T725 PolarHBondContact O-OG1 3.42Å; L722-T725 CarbonylContact O-C 3.29Å; L722-T725 PolarHBondContact O-N 2.96Å; L722-T725 VanDerWaalsContact O-N 3.08Å; L722-T725 PolarHBondContact O-OG1 2.84Å
726	L	71.1	Confident	67.2	Low	17 Å²	17	68.2 Å²	68.2	9%	0.089	34%	0.338	C	S	.	.	S	Bend	trans	-79	136.5	169.7	-82.7	167.2	0	0	0	110.6	K191 I192 L722 E730 K731	K191-L726 HydrophobicContact CB-CD2 3.88Å; K191-L726 HydrophobicContact CD-CD2 4.29Å; I192-L726 HydrophobicContact CG1-CD2 4.41Å; L722-L726 HydrophobicContact CD1-CG 4.43Å; L722-L726 HydrophobicContact CG-CD1 4.18Å; L722-L726 HydrophobicContact CG-CG 4.21Å; L722-L726 WeakPolarHBondContact O-CB 3.13Å; L722-L726 VanDerWaalsContact O-CG 3.24Å; L722-L726 WeakPolarHBondContact O-CG 3.38Å; L722-L726 PolarHBondContact O-N 2.97Å; L726-E730 HydrophobicContact CB-CB 4.43Å; L726-E730 HydrophobicContact CD2-CB 3.76Å; L726-E730 HydrophobicContact CD2-CG 4.34Å; L726-K731 HydrophobicContact CB-CG 4.03Å; L726-K731 VanDerWaalsContact O-CE 3.28Å; L726-K731 WeakPolarHBondContact O-CE 3.32Å
727	K	77.5	Confident	69	Low	99 Å²	99	69.7 Å²	69.7	43%	0.43	35%	0.346	S	S	.	.			trans	-71.5	159.5	-179.7	-56.7	176.1	-171	175.9	0	111.3	D187 Y729 E730 K731	D187-K727 IonicContact OD2-NZ 3.5Å; D187-K727 PolarHBondContact OD2-NZ 2.95Å; K727-Y729 VanDerWaalsContact C-N 3.32Å; K727-Y729 HydrophobicContact CB-CD1 4.31Å; K727-Y729 HydrophobicContact CB-CE1 3.93Å; K727-Y729 HydrophobicContact CB-CE2 4.36Å; K727-Y729 HydrophobicContact CD-CE1 4.02Å; K727-Y729 HydrophobicContact CD-CE2 4.15Å; K727-Y729 VanDerWaalsContact CD-CZ 3.49Å; K727-Y729 WeakPolarHBondContact CD-OH 3.41Å; K727-Y729 PolarHBondContact NZ-OH 2.86Å; K727-Y729 PolarHBondContact O-N 3.43Å; K727-E730 HydrophobicContact CB-CG 4.22Å; K727-E730 WeakPolarHBondContact CB-OE2 3.35Å; K727-E730 WeakPolarHBondContact CG-OE2 3.32Å; K727-E730 PolarHBondContact N-OE2 3.46Å; K727-E730 WeakPolarHBondContact O-CB 3.32Å; K727-E730 PolarHBondContact O-N 2.95Å; K727-K731 PolarHBondContact O-N 3.3Å
728	R	79.9	Confident	70.7	Confident	21 Å²	21	64.5 Å²	64.5	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-50.2	-45.8	-176.3	-174.8	70.8	-106.9	152.2	2.2	113.4	L325 H326 G328 D329 K731 D732	L325-R728 HydrophobicContact CD1-CG 4.49Å; H326-R728 WeakPolarHBondContact O-CD 3Å; G328-R728 PolarHBondContact O-NH1 3.01Å; D329-R728 IonicContact OD1-CZ 3.09Å; D329-R728 IonicContact OD1-NH1 2.72Å; D329-R728 PolarHBondContact OD1-NH1 3.46Å; D329-R728 IonicContact OD2-NH1 3.96Å; R728-K731 PolarHBondContact O-N 3.45Å; R728-D732 IonicContact CZ-OD1 3.09Å; R728-D732 IonicContact CZ-OD2 3.07Å; R728-D732 IonicContact NE-OD1 2.66Å; R728-D732 IonicContact NE-OD2 2.86Å; R728-D732 PolarHBondContact NE-OD2 2.91Å; R728-D732 IonicContact NH2-OD1 2.74Å; R728-D732 PolarHBondContact NH2-OD1 3.48Å; R728-D732 IonicContact NH2-OD2 3.62Å; R728-D732 PolarHBondContact O-N 3.23Å
729	Y	80.8	Confident	72.1	Confident	14 Å²	14	64.5 Å²	64.5	6%	0.055	33%	0.333	C	S	.	.	H	α-helix	trans	-72.9	-30.9	179.3	48.3	-91	0	0	0	114.2	D187 F197 K199 Y323 K727 H733	D187-Y729 PolarHBondContact OD2-OH 3.35Å; F197-Y729 HydrophobicContact CB-CD2 4.09Å; F197-Y729 HydrophobicContact CB-CE2 4.06Å; F197-Y729 AromaticContact CD1-CD2 3.64Å; F197-Y729 HydrophobicContact CD1-CD2 3.64Å; F197-Y729 HydrophobicContact CD1-CE2 4.36Å; F197-Y729 HydrophobicContact CD2-CD2 4.33Å; F197-Y729 HydrophobicContact CD2-CE2 4.33Å; F197-Y729 HydrophobicContact CE1-CD2 4.14Å; F197-Y729 AromaticContact CG-CD2 3.76Å; F197-Y729 HydrophobicContact CG-CD2 3.76Å; F197-Y729 AromaticContact CG-CE2 4Å; F197-Y729 HydrophobicContact CG-CE2 4Å; K199-Y729 HydrophobicContact CD-CD1 4.28Å; K199-Y729 HydrophobicContact CD-CE1 3.8Å; Y323-Y729 PolarHBondContact OH-O 2.92Å; Y323-Y729 VanDerWaalsContact OH-O 3.13Å; K727-Y729 VanDerWaalsContact C-N 3.32Å; K727-Y729 HydrophobicContact CB-CD1 4.31Å; K727-Y729 HydrophobicContact CB-CE1 3.93Å; K727-Y729 HydrophobicContact CB-CE2 4.36Å; K727-Y729 HydrophobicContact CD-CE1 4.02Å; K727-Y729 HydrophobicContact CD-CE2 4.15Å; K727-Y729 VanDerWaalsContact CD-CZ 3.49Å; K727-Y729 WeakPolarHBondContact CD-OH 3.41Å; K727-Y729 PolarHBondContact NZ-OH 2.86Å; K727-Y729 PolarHBondContact O-N 3.43Å; Y729-H733 WeakPolarHBondContact O-CB 3.01Å; Y729-H733 PolarHBondContact O-N 2.52Å
730	E	82.6	Confident	73.7	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-69	-42.7	173.5	-57.6	178.8	110.9	0	0	110.2	K191 I192 F197 L726 K727 H733 V734	K191-E730 PolarHBondContact N-OE1 2.86Å; I192-E730 HydrophobicContact CD1-CB 3.95Å; F197-E730 HydrophobicContact CE2-CG 4.28Å; F197-E730 HydrophobicContact CZ-CG 4.28Å; L726-E730 HydrophobicContact CB-CB 4.43Å; L726-E730 HydrophobicContact CD2-CB 3.76Å; L726-E730 HydrophobicContact CD2-CG 4.34Å; K727-E730 HydrophobicContact CB-CG 4.22Å; K727-E730 WeakPolarHBondContact CB-OE2 3.35Å; K727-E730 WeakPolarHBondContact CG-OE2 3.32Å; K727-E730 PolarHBondContact N-OE2 3.46Å; K727-E730 WeakPolarHBondContact O-CB 3.32Å; K727-E730 PolarHBondContact O-N 2.95Å; E730-H733 WeakPolarHBondContact O-CB 3.16Å; E730-H733 PolarHBondContact O-N 2.9Å; E730-V734 PolarHBondContact O-N 2.75Å
731	K	80.7	Confident	75.4	Confident	26 Å²	26	56 Å²	56	11%	0.113	30%	0.298	C	S	.	.	H	α-helix	trans	-58.1	-50.1	171.7	-72	176.5	172.5	174.9	0	111.4	D329 H723 L726 K727 R728 H733 V734	D329-K731 IonicContact OD2-NZ 3.06Å; D329-K731 PolarHBondContact OD2-NZ 3.1Å; H723-K731 WeakPolarHBondContact O-CE 3.34Å; H723-K731 PolarHBondContact O-NZ 2.86Å; L726-K731 HydrophobicContact CB-CG 4.03Å; L726-K731 VanDerWaalsContact O-CE 3.28Å; L726-K731 WeakPolarHBondContact O-CE 3.32Å; K727-K731 PolarHBondContact O-N 3.3Å; R728-K731 PolarHBondContact O-N 3.45Å; K731-H733 VanDerWaalsContact C-N 3.25Å; K731-H733 PolarHBondContact O-N 3.4Å; K731-V734 PolarHBondContact O-N 3.01Å; K731-V734 VanDerWaalsContact O-N 3.08Å
732	D	83.9	Confident	77.2	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-67	-25.1	179.9	-70.1	-21.7	0	0	0	112.4	Y323 L325 H326 R728 V734 L735 R789	Y323-D732 HydrophobicContact CE2-CB 3.96Å; L325-D732 HydrophobicContact CD2-CB 4.24Å; H326-D732 IonicContact CD2-OD1 3.05Å; H326-D732 PolarHBondContact CD2-OD1 3.3Å; H326-D732 IonicContact CD2-OD2 3.97Å; H326-D732 PolarHBondContact N-OD2 2.77Å; H326-D732 VanDerWaalsContact N-OD2 3.09Å; R728-D732 IonicContact CZ-OD1 3.09Å; R728-D732 IonicContact CZ-OD2 3.07Å; R728-D732 IonicContact NE-OD1 2.66Å; R728-D732 IonicContact NE-OD2 2.86Å; R728-D732 PolarHBondContact NE-OD2 2.91Å; R728-D732 IonicContact NH2-OD1 2.74Å; R728-D732 PolarHBondContact NH2-OD1 3.48Å; R728-D732 IonicContact NH2-OD2 3.62Å; R728-D732 PolarHBondContact O-N 3.23Å; D732-V734 VanDerWaalsContact C-N 3.31Å; D732-V734 PolarHBondContact O-N 2.74Å; D732-L735 PolarHBondContact O-N 2.94Å; D732-R789 VanDerWaalsContact O-CG 3.31Å; D732-R789 WeakPolarHBondContact O-CG 3.38Å; D732-R789 PolarHBondContact O-NE 2.84Å
733	H	84	Confident	78.8	Confident	31 Å²	31	51.2 Å²	51.2	14%	0.144	28%	0.281	C	S	.	.	H	α-helix	trans	-67.7	-28.2	171.7	-162.7	78.6	0	0	0	113.5	T106 F197 S321 Y323 Y729 E730 K731 L735 R789	T106-H733 PolarHBondContact OG1-CE1 3.33Å; F197-H733 HydrophobicContact CE1-CB 3.99Å; F197-H733 HydrophobicContact CZ-CB 4.25Å; S321-H733 PolarHBondContact OG-CE1 2.89Å; Y323-H733 AromaticContact CE1-ND1 3.88Å; Y323-H733 WeakPolarHBondContact OH-CB 3.27Å; Y323-H733 PolarHBondContact OH-ND1 3.45Å; Y729-H733 WeakPolarHBondContact O-CB 3.01Å; Y729-H733 PolarHBondContact O-N 2.52Å; E730-H733 WeakPolarHBondContact O-CB 3.16Å; E730-H733 PolarHBondContact O-N 2.9Å; K731-H733 VanDerWaalsContact C-N 3.25Å; K731-H733 PolarHBondContact O-N 3.4Å; H733-L735 VanDerWaalsContact C-N 3.29Å; H733-L735 PolarHBondContact O-N 2.72Å; H733-R789 PolarHBondContact O-NH2 3.11Å
734	V	82.3	Confident	80.3	Confident	89 Å²	89	47.6 Å²	47.6	54%	0.539	26%	0.264	S	S	.	.	H	α-helix	trans	-76.1	-19	178.8	178.5	0	0	0	0	112	I192 E730 K731 D732	I192-V734 HydrophobicContact CD1-CG2 4.33Å; E730-V734 PolarHBondContact O-N 2.75Å; K731-V734 PolarHBondContact O-N 3.01Å; K731-V734 VanDerWaalsContact O-N 3.08Å; D732-V734 VanDerWaalsContact C-N 3.31Å; D732-V734 PolarHBondContact O-N 2.74Å
735	L	82.9	Confident	81.8	Confident	35 Å²	35	41.8 Å²	41.8	18%	0.183	24%	0.239	C	C	.	.	S	Bend	trans	-71.9	155.5	177.2	-58.7	-178.9	0	0	0	112.7	D732 H733 L786 R789	D732-L735 PolarHBondContact O-N 2.94Å; H733-L735 VanDerWaalsContact C-N 3.29Å; H733-L735 PolarHBondContact O-N 2.72Å; L735-L786 WeakPolarHBondContact CD2-O 3.19Å; L735-R789 HydrophobicContact CB-CG 3.78Å; L735-R789 PolarHBondContact O-NE 2.98Å
736	G	78.9	Confident	83.1	Confident	28 Å²	28	39.2 Å²	39.2	29%	0.289	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-67.5	138.7	-179	0	0	0	0	0	112.5	E787 L788 R789	G736-E787 PolarHBondContact N-O 2.83Å; G736-L788 CarbonylContact O-C 3.38Å; G736-L788 WeakPolarHBondContact O-CA 3.01Å; G736-R789 WeakPolarHBondContact O-CG 3.15Å; G736-R789 PolarHBondContact O-N 2.94Å
737	P	83.8	Confident	83.8	Confident	87 Å²	87	40.2 Å²	40.2	57%	0.565	23%	0.227	S	C	*	.	P	Polyproline II helix	trans	-66	140.7	175.4	29.3	-34.6	0	0	0	110.7	V739	P737-V739 PolarHBondContact O-N 2.76Å
738	F	84.6	Confident	84.4	Confident	67 Å²	67	35.5 Å²	35.5	29%	0.294	21%	0.206	S	C	.	.			trans	-70	115.1	172.6	176.4	-109.7	0	0	0	110.1	G740 I741 F784 L788 P791	F738-G740 VanDerWaalsContact CE2-C 3.48Å; F738-G740 WeakPolarHBondContact CE2-O 3.39Å; F738-G740 WeakPolarHBondContact CZ-O 3.35Å; F738-I741 HydrophobicContact CZ-CB 4.31Å; F738-F784 HydrophobicContact CD2-CE1 4.07Å; F738-F784 AromaticContact CE2-CE1 3.57Å; F738-F784 HydrophobicContact CE2-CE1 3.57Å; F738-F784 AromaticContact CE2-CZ 3.85Å; F738-F784 HydrophobicContact CE2-CZ 3.85Å; F738-F784 HydrophobicContact CZ-CE1 4.46Å; F738-L788 HydrophobicContact CD2-CD1 4.39Å; F738-P791 HydrophobicContact CB-CB 4.48Å; F738-P791 HydrophobicContact CD1-CB 3.7Å; F738-P791 HydrophobicContact CD2-CB 4.18Å; F738-P791 HydrophobicContact CE1-CB 3.84Å; F738-P791 HydrophobicContact CE2-CB 4.32Å; F738-P791 HydrophobicContact CG-CB 3.87Å; F738-P791 HydrophobicContact CZ-CB 4.14Å
739	V	76.5	Confident	85	Confident	134 Å²	134	34.5 Å²	34.5	81%	0.812	20%	0.202	S	C	*	.			trans	-86.7	-15.5	-177.1	-176.2	0	0	0	0	112.2	P737	P737-V739 PolarHBondContact O-N 2.76Å
740	G	83.6	Confident	85.5	Confident	18 Å²	18	34.4 Å²	34.4	19%	0.186	20%	0.202	C	C	.	.			trans	133	-174.5	-172.6	0	0	0	0	0	110.7	F738	F738-G740 VanDerWaalsContact CE2-C 3.48Å; F738-G740 WeakPolarHBondContact CE2-O 3.39Å; F738-G740 WeakPolarHBondContact CZ-O 3.35Å
741	I	87.4	Confident	85.8	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.01	20%	0.204	C	C	.	.	S	Bend	trans	-120.3	6	175.6	-160	158.4	0	0	0	111.7	K369 V370 Y373 F738 E744 Y745 F784	K369-I741 HydrophobicContact CG-CG2 4.35Å; V370-I741 HydrophobicContact CG2-CD1 4.4Å; Y373-I741 VanDerWaalsContact CB-CD1 3.44Å; Y373-I741 HydrophobicContact CD1-CD1 3.77Å; Y373-I741 HydrophobicContact CD1-CG1 4.26Å; Y373-I741 HydrophobicContact CD2-CD1 4.41Å; Y373-I741 HydrophobicContact CD2-CG1 4.33Å; Y373-I741 HydrophobicContact CG-CD1 3.62Å; Y373-I741 HydrophobicContact CG-CG1 4.01Å; F738-I741 HydrophobicContact CZ-CB 4.31Å; I741-E744 WeakPolarHBondContact CA-OE2 3.43Å; I741-E744 HydrophobicContact CG1-CB 4.39Å; I741-Y745 HydrophobicContact CG1-CD2 4.43Å; I741-Y745 HydrophobicContact CG1-CE2 4.43Å; I741-Y745 HydrophobicContact CG2-CD2 4.12Å; I741-Y745 HydrophobicContact CG2-CE2 4.01Å; I741-Y745 VanDerWaalsContact O-CD2 3.31Å; I741-Y745 WeakPolarHBondContact O-CD2 3.41Å; I741-Y745 PolarHBondContact O-N 2.98Å; I741-F784 HydrophobicContact CD1-CZ 3.99Å; I741-F784 HydrophobicContact CG1-CZ 4.33Å
742	N	89.1	Confident	86.4	Confident	31 Å²	31	33.5 Å²	33.5	17%	0.166	20%	0.199	C	C	.	.	H	α-helix	trans	-77.7	-31.2	-174.6	-64	-23.5	0	0	0	113.3	E620 I624 M746 W802	E620-N742 PolarHBondContact OE2-ND2 3.18Å; I624-N742 HydrophobicContact CD1-CB 4.41Å; I624-N742 HydrophobicContact CG1-CB 4.19Å; N742-M746 WeakPolarHBondContact O-CB 3.28Å; N742-M746 PolarHBondContact O-N 3.44Å; N742-M746 VanDerWaalsContact O-N 3.11Å; N742-W802 HydrophobicContact CB-CZ2 4.11Å; N742-W802 WeakPolarHBondContact O-CZ2 3.29Å
743	P	86.6	Confident	86.8	Confident	74 Å²	74	33.4 Å²	33.4	48%	0.481	20%	0.198	S	C	.	.	H	α-helix	trans	-60	-43.3	166.3	-23.8	34.8	0	0	0	112.9	M746 E747	P743-M746 VanDerWaalsContact O-CB 3.25Å; P743-M746 WeakPolarHBondContact O-CB 3.46Å; P743-M746 PolarHBondContact O-N 3.27Å; P743-M746 VanDerWaalsContact O-N 3.12Å; P743-E747 PolarHBondContact O-N 2.9Å
744	E	88	Confident	87	Confident	27 Å²	27	32.5 Å²	32.5	13%	0.126	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-49.4	-177.8	-70.3	68	-157.8	0	0	111.4	Y373 I741 M746 E747 M748 K783	Y373-E744 HydrophobicContact CE2-CB 4.08Å; I741-E744 WeakPolarHBondContact CA-OE2 3.43Å; I741-E744 HydrophobicContact CG1-CB 4.39Å; E744-M746 VanDerWaalsContact C-N 3.27Å; E744-M746 PolarHBondContact O-N 2.92Å; E744-E747 PolarHBondContact O-N 3.42Å; E744-M748 WeakPolarHBondContact O-CG 3.23Å; E744-M748 PolarHBondContact O-N 2.99Å; E744-K783 VanDerWaalsContact OE1-CE 3.3Å; E744-K783 WeakPolarHBondContact OE1-CE 3.19Å; E744-K783 IonicContact OE1-NZ 2.78Å; E744-K783 PolarHBondContact OE1-NZ 2.84Å
745	Y	91.5	Very high	87.4	Confident	9 Å²	9	28.3 Å²	28.3	4%	0.035	17%	0.169	C	C	.	.	H	α-helix	trans	-58.5	-37	170.1	-84	-72.1	0	0	0	112.7	Y373 W376 I741 E747 I749 I799 W802	Y373-Y745 VanDerWaalsContact CA-OH 3.3Å; Y373-Y745 WeakPolarHBondContact CA-OH 3.44Å; Y373-Y745 AromaticContact CD2-CD1 3.97Å; Y373-Y745 HydrophobicContact CD2-CD1 3.97Å; Y373-Y745 HydrophobicContact CD2-CD2 4.01Å; Y373-Y745 AromaticContact CD2-CE1 3.81Å; Y373-Y745 HydrophobicContact CD2-CE1 3.81Å; Y373-Y745 AromaticContact CD2-CE2 3.83Å; Y373-Y745 HydrophobicContact CD2-CE2 3.83Å; Y373-Y745 HydrophobicContact CD2-CG 4.07Å; Y373-Y745 AromaticContact CD2-CZ 3.74Å; Y373-Y745 HydrophobicContact CE2-CD1 4.41Å; Y373-Y745 HydrophobicContact CE2-CG 4.42Å; Y373-Y745 HydrophobicContact CG-CE2 4.34Å; Y373-Y745 PolarHBondContact N-OH 3.37Å; W376-Y745 HydrophobicContact CD2-CE1 4.18Å; W376-Y745 HydrophobicContact CE3-CD1 4.22Å; W376-Y745 HydrophobicContact CE3-CE1 4.06Å; W376-Y745 HydrophobicContact CG-CE1 4.41Å; W376-Y745 HydrophobicContact CZ3-CD1 4.44Å; I741-Y745 HydrophobicContact CG1-CD2 4.43Å; I741-Y745 HydrophobicContact CG1-CE2 4.43Å; I741-Y745 HydrophobicContact CG2-CD2 4.12Å; I741-Y745 HydrophobicContact CG2-CE2 4.01Å; I741-Y745 VanDerWaalsContact O-CD2 3.31Å; I741-Y745 WeakPolarHBondContact O-CD2 3.41Å; I741-Y745 PolarHBondContact O-N 2.98Å; Y745-E747 PolarHBondContact O-N 3.42Å; Y745-I749 WeakPolarHBondContact O-CB 3.27Å; Y745-I749 WeakPolarHBondContact O-CD1 3.33Å; Y745-I749 VanDerWaalsContact O-CG1 3.22Å; Y745-I749 WeakPolarHBondContact O-CG1 3.44Å; Y745-I749 PolarHBondContact O-N 3.47Å; Y745-I799 HydrophobicContact CE1-CB 4.42Å; Y745-I799 HydrophobicContact CE1-CG2 4.19Å; Y745-I799 WeakPolarHBondContact OH-CG2 3.5Å; Y745-W802 VanDerWaalsContact CB-CE2 3.41Å; Y745-W802 HydrophobicContact CD1-CG 4.34Å; Y745-W802 AromaticContact CD2-CD1 3.92Å; Y745-W802 AromaticContact CD2-NE1 3.63Å; Y745-W802 AromaticContact CG-CD1 3.77Å; Y745-W802 HydrophobicContact CG-CD2 4.42Å; Y745-W802 HydrophobicContact CG-CG 4.28Å; Y745-W802 AromaticContact CG-NE1 3.63Å
746	M	89.4	Confident	87.9	Confident	13 Å²	13	26.9 Å²	26.9	6%	0.064	16%	0.161	C	C	.	.	H	α-helix	trans	-62.1	-43.2	179.6	-169.4	71.8	77.8	0	0	111.8	T627 F628 K631 N742 P743 E744 I749 I750 W802	T627-M746 HydrophobicContact CG2-CE 3.89Å; F628-M746 VanDerWaalsContact CA-SD 3.6Å; F628-M746 HydrophobicContact CB-CE 3.94Å; F628-M746 HydrophobicContact CB-SD 3.79Å; F628-M746 HydrophobicContact CD2-SD 3.86Å; F628-M746 HydrophobicContact CG-SD 4.34Å; K631-M746 HydrophobicContact CD-CG 4.12Å; N742-M746 WeakPolarHBondContact O-CB 3.28Å; N742-M746 PolarHBondContact O-N 3.44Å; N742-M746 VanDerWaalsContact O-N 3.11Å; P743-M746 VanDerWaalsContact O-CB 3.25Å; P743-M746 WeakPolarHBondContact O-CB 3.46Å; P743-M746 PolarHBondContact O-N 3.27Å; P743-M746 VanDerWaalsContact O-N 3.12Å; E744-M746 VanDerWaalsContact C-N 3.27Å; E744-M746 PolarHBondContact O-N 2.92Å; M746-I749 PolarHBondContact O-N 2.86Å; M746-I750 VanDerWaalsContact O-CG1 3.32Å; M746-I750 WeakPolarHBondContact O-CG1 3.31Å; M746-I750 PolarHBondContact O-N 3.2Å; M746-W802 HydrophobicContact CB-CH2 3.91Å; M746-W802 HydrophobicContact CE-CH2 3.7Å; M746-W802 HydrophobicContact CE-CZ3 4.16Å; M746-W802 HydrophobicContact SD-CH2 3.87Å; M746-W802 HydrophobicContact SD-CZ3 3.91Å
747	E	86.7	Confident	88.5	Confident	38 Å²	38	25.7 Å²	25.7	18%	0.178	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-52.7	179.4	-168.5	124.3	-179.2	0	0	110.7	P743 E744 Y745 I749 I750 Q751	P743-E747 PolarHBondContact O-N 2.9Å; E744-E747 PolarHBondContact O-N 3.42Å; Y745-E747 PolarHBondContact O-N 3.42Å; E747-I749 VanDerWaalsContact C-N 3.28Å; E747-I749 PolarHBondContact O-N 3.1Å; E747-I750 PolarHBondContact O-N 3.44Å; E747-Q751 WeakPolarHBondContact O-CB 3.47Å; E747-Q751 PolarHBondContact O-N 3.4Å
748	M	89.9	Confident	88.8	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.1	-31.5	-179.8	-60.3	-64.9	101	0	0	113.4	W376 L377 Q689 E744 F752 E776	W376-M748 HydrophobicContact CH2-CB 3.64Å; W376-M748 HydrophobicContact CZ3-CB 3.51Å; W376-M748 HydrophobicContact CZ3-CG 4.01Å; L377-M748 HydrophobicContact CD1-CG 4.14Å; L377-M748 HydrophobicContact CD1-SD 3.49Å; L377-M748 WeakPolarHBondContact CD1-SD 3.31Å; Q689-M748 VanDerWaalsContact NE2-CE 3.32Å; E744-M748 WeakPolarHBondContact O-CG 3.23Å; E744-M748 PolarHBondContact O-N 2.99Å; M748-F752 WeakPolarHBondContact O-CB 3.45Å; M748-F752 PolarHBondContact O-N 2.82Å; M748-E776 HydrophobicContact CE-CG 3.66Å; M748-E776 VanDerWaalsContact CE-OE1 3.25Å; M748-E776 WeakPolarHBondContact CE-OE1 3.44Å; M748-E776 HydrophobicContact SD-CG 4.08Å
749	I	92.2	Very high	89	Confident	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-82.8	-32.6	-179.5	-68.4	168.8	0	0	0	111.8	W376 F628 Y745 M746 E747 Q751 F752 G753 W802 L806 L809	W376-I749 HydrophobicContact CH2-CG1 4.19Å; W376-I749 HydrophobicContact CZ2-CG1 4.36Å; F628-I749 HydrophobicContact CE2-CG2 4.03Å; Y745-I749 WeakPolarHBondContact O-CB 3.27Å; Y745-I749 WeakPolarHBondContact O-CD1 3.33Å; Y745-I749 VanDerWaalsContact O-CG1 3.22Å; Y745-I749 WeakPolarHBondContact O-CG1 3.44Å; Y745-I749 PolarHBondContact O-N 3.47Å; M746-I749 PolarHBondContact O-N 2.86Å; E747-I749 VanDerWaalsContact C-N 3.28Å; E747-I749 PolarHBondContact O-N 3.1Å; I749-Q751 VanDerWaalsContact C-N 3.34Å; I749-F752 PolarHBondContact O-N 3.02Å; I749-G753 PolarHBondContact O-N 3.46Å; I749-W802 HydrophobicContact CD1-CB 3.76Å; I749-W802 HydrophobicContact CD1-CD2 3.7Å; I749-W802 HydrophobicContact CD1-CE3 3.29Å; I749-W802 HydrophobicContact CD1-CG 3.93Å; I749-W802 HydrophobicContact CD1-CZ3 4Å; I749-L806 HydrophobicContact CD1-CD1 4.48Å; I749-L806 HydrophobicContact CD1-CG 4.36Å; I749-L806 HydrophobicContact CG1-CD2 4.05Å; I749-L806 HydrophobicContact CG1-CG 4.23Å; I749-L806 HydrophobicContact CG2-CD2 4.23Å; I749-L809 HydrophobicContact CG2-CD2 4.28Å
750	I	90.1	Very high	89.6	Confident	11 Å²	11	12.4 Å²	12.4	6%	0.056	7%	0.072	C	C	.	.	H	α-helix	trans	-66	-40	167.7	-67.8	-68.2	0	0	0	110.4	F628 F632 A635 F636 M746 E747 G753 M754	F628-I750 HydrophobicContact CD2-CD1 4.41Å; F628-I750 HydrophobicContact CE2-CD1 4.17Å; F632-I750 HydrophobicContact CB-CD1 4.25Å; F632-I750 HydrophobicContact CD2-CD1 4.45Å; A635-I750 HydrophobicContact CB-CG2 4.29Å; F636-I750 HydrophobicContact CE2-CD1 4.26Å; M746-I750 VanDerWaalsContact O-CG1 3.32Å; M746-I750 WeakPolarHBondContact O-CG1 3.31Å; M746-I750 PolarHBondContact O-N 3.2Å; E747-I750 PolarHBondContact O-N 3.44Å; I750-G753 WeakPolarHBondContact O-CA 3.41Å; I750-G753 PolarHBondContact O-N 3.39Å; I750-G753 VanDerWaalsContact O-N 3.15Å; I750-M754 HydrophobicContact CG2-CE 4.43Å; I750-M754 WeakPolarHBondContact O-CG 3.48Å; I750-M754 PolarHBondContact O-N 3.3Å
751	Q	90.5	Very high	89.6	Confident	8 Å²	8	11.6 Å²	11.6	4%	0.037	6%	0.063	C	C	.	.	H	α-helix	trans	-61.2	-45.8	172.8	-173.4	-155.7	16.6	0	0	111.9	E747 I749 G753 M754 V755 A769 N772 N773	E747-Q751 WeakPolarHBondContact O-CB 3.47Å; E747-Q751 PolarHBondContact O-N 3.4Å; I749-Q751 VanDerWaalsContact C-N 3.34Å; Q751-G753 PolarHBondContact O-N 2.94Å; Q751-M754 WeakPolarHBondContact O-CB 3.16Å; Q751-M754 PolarHBondContact O-N 3.33Å; Q751-V755 WeakPolarHBondContact O-CG2 3.41Å; Q751-V755 PolarHBondContact O-N 2.83Å; Q751-A769 PolarHBondContact NE2-O 3.49Å; Q751-N772 PolarHBondContact NE2-ND2 3.04Å; Q751-N773 PolarHBondContact NE2-OD1 3.43Å; Q751-N773 PolarHBondContact OE1-OD1 3.17Å; Q751-N773 VanDerWaalsContact OE1-OD1 3.11Å
752	F	92.6	Very high	89.6	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-56.7	-38.3	172.1	177.1	-88.4	0	0	0	111.8	Y380 W461 A462 F465 M748 I749 V755 T756 L806 L809	Y380-F752 HydrophobicContact CD2-CD2 4.47Å; Y380-F752 AromaticContact CE2-CD2 3.86Å; Y380-F752 HydrophobicContact CE2-CD2 3.86Å; Y380-F752 WeakPolarHBondContact OH-CA 3.48Å; Y380-F752 PolarHBondContact OH-N 2.97Å; W461-F752 HydrophobicContact CH2-CE2 4.19Å; W461-F752 AromaticContact CZ3-CE2 3.9Å; W461-F752 HydrophobicContact CZ3-CE2 3.9Å; A462-F752 HydrophobicContact CB-CZ 4.29Å; F465-F752 HydrophobicContact CD1-CD2 4.46Å; F465-F752 AromaticContact CD1-CE2 3.65Å; F465-F752 HydrophobicContact CD1-CE2 3.65Å; F465-F752 HydrophobicContact CD1-CZ 4.31Å; F465-F752 HydrophobicContact CE1-CD2 4.11Å; F465-F752 AromaticContact CE1-CE2 3.68Å; F465-F752 HydrophobicContact CE1-CE2 3.68Å; F465-F752 HydrophobicContact CE1-CZ 4.41Å; M748-F752 WeakPolarHBondContact O-CB 3.45Å; M748-F752 PolarHBondContact O-N 2.82Å; I749-F752 PolarHBondContact O-N 3.02Å; F752-V755 PolarHBondContact O-N 2.93Å; F752-T756 HydrophobicContact CD1-CG2 4.23Å; F752-T756 HydrophobicContact CD2-CG2 4.42Å; F752-T756 HydrophobicContact CE1-CG2 3.85Å; F752-T756 HydrophobicContact CE2-CG2 4.04Å; F752-T756 HydrophobicContact CZ-CG2 3.75Å; F752-T756 WeakPolarHBondContact O-CB 3.28Å; F752-T756 WeakPolarHBondContact O-CG2 3.46Å; F752-T756 PolarHBondContact O-N 2.82Å; F752-T756 PolarHBondContact O-OG1 3.2Å; F752-L806 HydrophobicContact CB-CD2 4.2Å; F752-L806 HydrophobicContact CD1-CD2 3.49Å; F752-L806 VanDerWaalsContact CD1-CD2 3.49Å; F752-L806 HydrophobicContact CD2-CD2 4.17Å; F752-L806 HydrophobicContact CE1-CD2 3.79Å; F752-L806 HydrophobicContact CE2-CD2 4.43Å; F752-L806 HydrophobicContact CG-CD2 3.69Å; F752-L806 HydrophobicContact CZ-CD2 4.25Å; F752-L809 HydrophobicContact CD1-CD2 3.84Å; F752-L809 HydrophobicContact CD1-CG 4.15Å; F752-L809 HydrophobicContact CE1-CD2 4.44Å; F752-L809 HydrophobicContact CE1-CG 4.32Å
753	G	92.4	Very high	89.6	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.1	-44.5	171.8	0	0	0	0	0	113.4	I749 I750 Q751 V755 T756 L757	I749-G753 PolarHBondContact O-N 3.46Å; I750-G753 WeakPolarHBondContact O-CA 3.41Å; I750-G753 PolarHBondContact O-N 3.39Å; I750-G753 VanDerWaalsContact O-N 3.15Å; Q751-G753 PolarHBondContact O-N 2.94Å; G753-V755 VanDerWaalsContact C-N 3.31Å; G753-V755 PolarHBondContact O-N 2.67Å; G753-T756 PolarHBondContact O-N 3.22Å; G753-L757 VanDerWaalsContact O-CB 3.24Å; G753-L757 WeakPolarHBondContact O-CB 3.45Å; G753-L757 WeakPolarHBondContact O-CD1 3.42Å; G753-L757 VanDerWaalsContact O-CG 3.3Å; G753-L757 WeakPolarHBondContact O-CG 3.49Å; G753-L757 PolarHBondContact O-N 3.37Å
754	M	88.2	Confident	89.7	Confident	12 Å²	12	8.1 Å²	8.1	6%	0.059	4%	0.04	C	C	.	.	H	α-helix	trans	-60.8	-40.9	174.8	-64.2	-76.8	173.7	0	0	111.7	A635 F636 I639 L681 T684 I750 Q751	A635-M754 HydrophobicContact CB-CE 3.99Å; F636-M754 HydrophobicContact CD1-CE 4.03Å; F636-M754 HydrophobicContact CD1-SD 4.14Å; F636-M754 HydrophobicContact CE1-CE 3.58Å; F636-M754 HydrophobicContact CE1-CG 3.93Å; F636-M754 HydrophobicContact CE1-SD 3.45Å; F636-M754 WeakPolarHBondContact CE1-SD 2.96Å; F636-M754 HydrophobicContact CZ-CE 3.95Å; F636-M754 HydrophobicContact CZ-CG 4.1Å; F636-M754 HydrophobicContact CZ-SD 4.14Å; I639-M754 HydrophobicContact CD1-CE 3.72Å; I639-M754 HydrophobicContact CD1-SD 3.58Å; I639-M754 VanDerWaalsContact CD1-SD 3.58Å; L681-M754 HydrophobicContact CD2-SD 3.86Å; T684-M754 VanDerWaalsContact OG1-CE 3.31Å; T684-M754 WeakPolarHBondContact OG1-CE 3.14Å; I750-M754 HydrophobicContact CG2-CE 4.43Å; I750-M754 WeakPolarHBondContact O-CG 3.48Å; I750-M754 PolarHBondContact O-N 3.3Å; Q751-M754 WeakPolarHBondContact O-CB 3.16Å; Q751-M754 PolarHBondContact O-N 3.33Å
755	V	90.8	Very high	89.8	Confident	0 Å²	0	7 Å²	7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-70.7	-30.1	179.5	174.1	0	0	0	0	112.9	L384 M458 Q751 F752 G753 V759 P766 A769	L384-V755 HydrophobicContact CD2-CG1 4.19Å; M458-V755 HydrophobicContact CE-CG1 4.03Å; Q751-V755 WeakPolarHBondContact O-CG2 3.41Å; Q751-V755 PolarHBondContact O-N 2.83Å; F752-V755 PolarHBondContact O-N 2.93Å; G753-V755 VanDerWaalsContact C-N 3.31Å; G753-V755 PolarHBondContact O-N 2.67Å; V755-V759 WeakPolarHBondContact O-CB 3.15Å; V755-V759 WeakPolarHBondContact O-CG2 3.5Å; V755-P766 HydrophobicContact CG1-CB 4.39Å; V755-P766 HydrophobicContact CG1-CG 4.09Å; V755-A769 HydrophobicContact CG2-CB 3.44Å; V755-A769 VanDerWaalsContact CG2-CB 3.44Å
756	T	93.5	Very high	89.9	Confident	5 Å²	5	6.6 Å²	6.6	3%	0.031	3%	0.034	C	C	.	.	H	α-helix	trans	-100.3	-43.6	-175	52.4	0	0	0	0	114.1	W461 F752 G753 F758 N817	W461-T756 HydrophobicContact CZ3-CG2 4.25Å; F752-T756 HydrophobicContact CD1-CG2 4.23Å; F752-T756 HydrophobicContact CD2-CG2 4.42Å; F752-T756 HydrophobicContact CE1-CG2 3.85Å; F752-T756 HydrophobicContact CE2-CG2 4.04Å; F752-T756 HydrophobicContact CZ-CG2 3.75Å; F752-T756 WeakPolarHBondContact O-CB 3.28Å; F752-T756 WeakPolarHBondContact O-CG2 3.46Å; F752-T756 PolarHBondContact O-N 2.82Å; F752-T756 PolarHBondContact O-OG1 3.2Å; G753-T756 PolarHBondContact O-N 3.22Å; T756-F758 PolarHBondContact O-N 3.33Å; T756-N817 PolarHBondContact O-ND2 2.66Å
757	L	91.8	Very high	90	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.021	4%	0.043	C	C	.	.	H	α-helix	trans	-67.5	-33	-171.5	-70.7	165.1	0	0	0	114.2	F632 F636 G753 L809 V812 A813 V816 N817	F632-L757 HydrophobicContact CE2-CD1 3.93Å; F632-L757 HydrophobicContact CZ-CD1 4Å; F636-L757 HydrophobicContact CD1-CD1 4.01Å; F636-L757 HydrophobicContact CD2-CD1 4.25Å; F636-L757 HydrophobicContact CE1-CD1 3.71Å; F636-L757 HydrophobicContact CE2-CD1 4.01Å; F636-L757 HydrophobicContact CG-CD1 4.27Å; F636-L757 HydrophobicContact CZ-CD1 3.74Å; G753-L757 VanDerWaalsContact O-CB 3.24Å; G753-L757 WeakPolarHBondContact O-CB 3.45Å; G753-L757 WeakPolarHBondContact O-CD1 3.42Å; G753-L757 VanDerWaalsContact O-CG 3.3Å; G753-L757 WeakPolarHBondContact O-CG 3.49Å; G753-L757 PolarHBondContact O-N 3.37Å; L757-L809 HydrophobicContact CD1-CD1 3.84Å; L757-L809 HydrophobicContact CD2-CD1 4.02Å; L757-L809 HydrophobicContact CG-CD1 3.92Å; L757-V812 HydrophobicContact CD2-CB 4.45Å; L757-V812 HydrophobicContact CD2-CG1 3.83Å; L757-A813 HydrophobicContact CD2-CB 4.25Å; L757-V816 HydrophobicContact CD2-CB 4.26Å; L757-V816 HydrophobicContact CD2-CG2 3.96Å; L757-V816 WeakPolarHBondContact O-CG1 3.36Å; L757-N817 PolarHBondContact O-OD1 3.17Å
758	F	88.8	Confident	90.1	Very high	3 Å²	3	9.4 Å²	9.4	1%	0.013	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.2	17.3	-171	-62.3	-80.9	0	0	0	113.4	F636 I639 V640 A643 L677 L681 T756 A760 S761 F762 V816 V820	F636-F758 HydrophobicContact CD1-CD2 4.43Å; F636-F758 AromaticContact CD1-CE2 3.69Å; F636-F758 HydrophobicContact CD1-CE2 3.69Å; F636-F758 HydrophobicContact CE1-CE2 4.14Å; I639-F758 HydrophobicContact CB-CE2 4.47Å; I639-F758 HydrophobicContact CB-CZ 4.35Å; I639-F758 HydrophobicContact CG2-CD1 3.9Å; I639-F758 HydrophobicContact CG2-CD2 3.85Å; I639-F758 HydrophobicContact CG2-CE1 3.71Å; I639-F758 HydrophobicContact CG2-CE2 3.68Å; I639-F758 HydrophobicContact CG2-CG 3.98Å; I639-F758 HydrophobicContact CG2-CZ 3.61Å; V640-F758 HydrophobicContact CG2-CZ 3.99Å; A643-F758 HydrophobicContact CB-CE1 4.31Å; L677-F758 HydrophobicContact CD2-CD1 4.37Å; L681-F758 HydrophobicContact CD1-CB 3.77Å; L681-F758 HydrophobicContact CD1-CG 4.4Å; L681-F758 HydrophobicContact CD2-CB 4.31Å; L681-F758 HydrophobicContact CD2-CD2 4.31Å; L681-F758 HydrophobicContact CD2-CG 4.46Å; T756-F758 PolarHBondContact O-N 3.33Å; F758-A760 VanDerWaalsContact C-N 3.28Å; F758-A760 PolarHBondContact O-N 3.11Å; F758-S761 PolarHBondContact O-N 3.35Å; F758-S761 PolarHBondContact O-OG 2.64Å; F758-F762 PolarHBondContact O-N 3.13Å; F758-V816 HydrophobicContact CD1-CG1 4.39Å; F758-V816 HydrophobicContact CE1-CG1 3.94Å; F758-V816 HydrophobicContact CZ-CG1 4.15Å; F758-V820 HydrophobicContact CD1-CG2 4.32Å
759	V	90.4	Very high	90.1	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-64.3	-30.7	-170.9	82	0	0	0	0	113.5	F454 M458 V755 S761 F762 N817	F454-V759 HydrophobicContact CD1-CG2 4.1Å; F454-V759 HydrophobicContact CE1-CG2 3.6Å; F454-V759 HydrophobicContact CZ-CG2 4.48Å; M458-V759 HydrophobicContact CB-CG1 3.77Å; M458-V759 HydrophobicContact CB-CG2 4.37Å; M458-V759 HydrophobicContact CE-CG2 4.26Å; M458-V759 HydrophobicContact CG-CG1 4.08Å; M458-V759 HydrophobicContact CG-CG2 3.81Å; V755-V759 WeakPolarHBondContact O-CB 3.15Å; V755-V759 WeakPolarHBondContact O-CG2 3.5Å; V759-S761 PolarHBondContact O-N 3.03Å; V759-F762 CarbonylContact O-C 3.4Å; V759-F762 PolarHBondContact O-N 3.42Å; V759-F762 VanDerWaalsContact O-N 3.11Å; V759-N817 PolarHBondContact N-OD1 3.26Å
760	A	87.5	Confident	90.1	Very high	5 Å²	5	10.4 Å²	10.4	4%	0.041	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-62.4	-19.2	173.3	0	0	0	0	0	113.7	F758 N817 V820 I821	F758-A760 VanDerWaalsContact C-N 3.28Å; F758-A760 PolarHBondContact O-N 3.11Å; A760-N817 HydrophobicContact CB-CB 4.08Å; A760-N817 VanDerWaalsContact CB-OD1 3.3Å; A760-N817 WeakPolarHBondContact CB-OD1 3.36Å; A760-N817 PolarHBondContact N-OD1 2.99Å; A760-V820 HydrophobicContact CB-CG1 4.16Å; A760-I821 HydrophobicContact CB-CD1 3.91Å; A760-I821 HydrophobicContact CB-CG1 3.65Å
761	S	85.1	Confident	90	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-94.6	-22.3	173.3	68.5	0	0	0	0	114	L674 C678 F758 V759	L674-S761 WeakPolarHBondContact CD2-O 3.4Å; C678-S761 PolarHBondContact SG-O 3.36Å; F758-S761 PolarHBondContact O-N 3.35Å; F758-S761 PolarHBondContact O-OG 2.64Å; V759-S761 PolarHBondContact O-N 3.03Å
762	F	85.7	Confident	89.8	Confident	10 Å²	10	15 Å²	15	4%	0.044	8%	0.077	C	C	.	.			trans	-145.7	86.3	-171.1	-174.2	-124.9	0	0	0	112.7	F446 C678 C682 M685 F758 V759 L764 A765 F768	F446-F762 HydrophobicContact CD1-CD2 4.05Å; F446-F762 AromaticContact CE1-CD2 3.78Å; F446-F762 HydrophobicContact CE1-CD2 3.78Å; F446-F762 AromaticContact CE1-CE2 3.9Å; F446-F762 HydrophobicContact CE1-CE2 3.9Å; C678-F762 HydrophobicContact CB-CD2 4.13Å; C682-F762 WeakPolarHBondContact SG-CZ 3.47Å; M685-F762 HydrophobicContact CE-CE1 4.46Å; F758-F762 PolarHBondContact O-N 3.13Å; V759-F762 CarbonylContact O-C 3.4Å; V759-F762 PolarHBondContact O-N 3.42Å; V759-F762 VanDerWaalsContact O-N 3.11Å; F762-L764 HydrophobicContact CE1-CB 4.27Å; F762-L764 HydrophobicContact CE2-CB 3.86Å; F762-L764 HydrophobicContact CZ-CB 3.64Å; F762-L764 PolarHBondContact O-N 2.94Å; F762-L764 VanDerWaalsContact O-N 3.13Å; F762-A765 HydrophobicContact CD1-CB 3.74Å; F762-A765 HydrophobicContact CE1-CB 4.22Å; F762-A765 WeakPolarHBondContact O-CB 3.39Å; F762-A765 PolarHBondContact O-N 3.23Å; F762-A765 VanDerWaalsContact O-N 3.11Å; F762-F768 AromaticContact CE1-CD2 3.91Å; F762-F768 HydrophobicContact CE1-CD2 3.91Å; F762-F768 HydrophobicContact CE1-CE2 4.15Å; F762-F768 AromaticContact CZ-CD2 3.89Å; F762-F768 HydrophobicContact CZ-CD2 3.89Å; F762-F768 AromaticContact CZ-CE2 3.66Å; F762-F768 HydrophobicContact CZ-CE2 3.66Å
763	P	89.6	Confident	89.7	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22	-175.5	-27.1	36.9	0	0	0	115.6	G391 V394 T451 F454 A765 P766	G391-P763 WeakPolarHBondContact CA-O 3.22Å; V394-P763 HydrophobicContact CG1-CB 4.19Å; V394-P763 HydrophobicContact CG1-CG 4.12Å; T451-P763 HydrophobicContact CG2-CG 3.59Å; F454-P763 HydrophobicContact CD1-CB 3.89Å; F454-P763 HydrophobicContact CD1-CG 4.41Å; F454-P763 HydrophobicContact CE1-CB 3.96Å; F454-P763 WeakPolarHBondContact CE1-O 3.5Å; P763-A765 VanDerWaalsContact C-N 3.3Å; P763-A765 PolarHBondContact O-N 3.31Å; P763-P766 VanDerWaalsContact O-CD 3.28Å; P763-P766 WeakPolarHBondContact O-CD 3.46Å
764	L	89.1	Confident	89.6	Confident	24 Å²	24	17.8 Å²	17.8	13%	0.126	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	0.8	178.8	-61.7	175.8	0	0	0	113.8	V392 F395 F762 L767 F768	V392-L764 HydrophobicContact CG2-CD2 3.8Å; F395-L764 HydrophobicContact CB-CD2 3.83Å; F395-L764 HydrophobicContact CB-CG 4.13Å; F395-L764 HydrophobicContact CD1-CD1 3.95Å; F395-L764 HydrophobicContact CD1-CD2 4.27Å; F395-L764 HydrophobicContact CD1-CG 4.44Å; F395-L764 HydrophobicContact CD2-CD1 3.93Å; F395-L764 HydrophobicContact CD2-CG 4.2Å; F395-L764 HydrophobicContact CE1-CD1 4.1Å; F395-L764 HydrophobicContact CE2-CD1 4.09Å; F395-L764 HydrophobicContact CG-CD1 3.85Å; F395-L764 HydrophobicContact CG-CD2 4.03Å; F395-L764 HydrophobicContact CG-CG 3.99Å; F395-L764 HydrophobicContact CZ-CD1 4.17Å; F762-L764 HydrophobicContact CE1-CB 4.27Å; F762-L764 HydrophobicContact CE2-CB 3.86Å; F762-L764 HydrophobicContact CZ-CB 3.64Å; F762-L764 PolarHBondContact O-N 2.94Å; F762-L764 VanDerWaalsContact O-N 3.13Å; L764-L767 HydrophobicContact CD2-CD2 4.36Å; L764-L767 WeakPolarHBondContact O-CB 3.3Å; L764-L767 PolarHBondContact O-N 2.73Å; L764-L767 VanDerWaalsContact O-N 3.1Å; L764-F768 PolarHBondContact O-N 2.95Å
765	A	89.6	Confident	89.5	Confident	4 Å²	4	22 Å²	22	3%	0.033	11%	0.113	C	C	.	.	H	α-helix	trans	-53	-44.8	177.5	0	0	0	0	0	113.8	F762 P763 L767 F768 A769	F762-A765 HydrophobicContact CD1-CB 3.74Å; F762-A765 HydrophobicContact CE1-CB 4.22Å; F762-A765 WeakPolarHBondContact O-CB 3.39Å; F762-A765 PolarHBondContact O-N 3.23Å; F762-A765 VanDerWaalsContact O-N 3.11Å; P763-A765 VanDerWaalsContact C-N 3.3Å; P763-A765 PolarHBondContact O-N 3.31Å; A765-L767 VanDerWaalsContact C-N 3.3Å; A765-L767 PolarHBondContact O-N 3.39Å; A765-F768 PolarHBondContact O-N 3.12Å; A765-A769 WeakPolarHBondContact O-CB 3.29Å; A765-A769 PolarHBondContact O-N 2.92Å
766	P	93.3	Very high	89.3	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.6	-27.2	179.2	-19	33.5	0	0	0	113.5	L384 A387 A388 F454 M458 V755 P763 L770	L384-P766 HydrophobicContact CD2-CB 4.02Å; A387-P766 HydrophobicContact CB-CB 3.78Å; A387-P766 HydrophobicContact CB-CG 4.1Å; A388-P766 HydrophobicContact CB-CB 4.42Å; F454-P766 HydrophobicContact CZ-CG 4.15Å; M458-P766 HydrophobicContact CE-CG 3.99Å; M458-P766 HydrophobicContact SD-CG 4.18Å; V755-P766 HydrophobicContact CG1-CB 4.39Å; V755-P766 HydrophobicContact CG1-CG 4.09Å; P763-P766 VanDerWaalsContact O-CD 3.28Å; P763-P766 WeakPolarHBondContact O-CD 3.46Å; P766-L770 VanDerWaalsContact O-CB 3.24Å; P766-L770 WeakPolarHBondContact O-CB 3.46Å; P766-L770 PolarHBondContact O-N 3.48Å
767	L	92.1	Very high	89.1	Confident	51 Å²	51	22.6 Å²	22.6	27%	0.267	12%	0.116	S	C	.	.	H	α-helix	trans	-68.7	-47.6	176.9	176.8	66.1	0	0	0	111.1	A388 V392 L764 A765 A769 L770 L771	A388-L767 HydrophobicContact CB-CB 4.11Å; A388-L767 HydrophobicContact CB-CD1 4.27Å; V392-L767 HydrophobicContact CG2-CD2 3.85Å; L764-L767 HydrophobicContact CD2-CD2 4.36Å; L764-L767 WeakPolarHBondContact O-CB 3.3Å; L764-L767 PolarHBondContact O-N 2.73Å; L764-L767 VanDerWaalsContact O-N 3.1Å; A765-L767 VanDerWaalsContact C-N 3.3Å; A765-L767 PolarHBondContact O-N 3.39Å; L767-A769 VanDerWaalsContact C-N 3.33Å; L767-L770 PolarHBondContact O-N 2.88Å; L767-L771 HydrophobicContact CG-CD1 4.48Å; L767-L771 WeakPolarHBondContact O-CG 3.37Å; L767-L771 PolarHBondContact O-N 2.97Å
768	F	88.6	Confident	88.9	Confident	59 Å²	59	23 Å²	23	26%	0.259	12%	0.117	S	C	.	.	H	α-helix	trans	-65.9	-36.7	175.4	-70.2	-21.5	0	0	0	111.8	M685 L686 F762 L764 A765 L771 N772	M685-F768 HydrophobicContact CE-CB 3.58Å; M685-F768 HydrophobicContact CE-CD2 3.96Å; M685-F768 HydrophobicContact CE-CG 4.3Å; M685-F768 HydrophobicContact SD-CB 4.47Å; L686-F768 HydrophobicContact CD1-CD2 4.23Å; L686-F768 HydrophobicContact CD1-CE2 4.21Å; L686-F768 HydrophobicContact CD2-CB 4.17Å; L686-F768 HydrophobicContact CD2-CD2 4.5Å; L686-F768 HydrophobicContact CD2-CG 4.24Å; F762-F768 AromaticContact CE1-CD2 3.91Å; F762-F768 HydrophobicContact CE1-CD2 3.91Å; F762-F768 HydrophobicContact CE1-CE2 4.15Å; F762-F768 AromaticContact CZ-CD2 3.89Å; F762-F768 HydrophobicContact CZ-CD2 3.89Å; F762-F768 AromaticContact CZ-CE2 3.66Å; F762-F768 HydrophobicContact CZ-CE2 3.66Å; L764-F768 PolarHBondContact O-N 2.95Å; A765-F768 PolarHBondContact O-N 3.12Å; F768-L771 HydrophobicContact CD1-CD1 4.45Å; F768-N772 VanDerWaalsContact O-CB 3.26Å; F768-N772 WeakPolarHBondContact O-CB 3.48Å; F768-N772 PolarHBondContact O-N 3.34Å
769	A	89.9	Confident	88.8	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.6	-40	172.6	0	0	0	0	0	113	L384 Q751 V755 A765 L767 N772 N773	L384-A769 HydrophobicContact CD1-CB 3.98Å; L384-A769 HydrophobicContact CD2-CB 4.3Å; Q751-A769 PolarHBondContact NE2-O 3.49Å; V755-A769 HydrophobicContact CG2-CB 3.44Å; V755-A769 VanDerWaalsContact CG2-CB 3.44Å; A765-A769 WeakPolarHBondContact O-CB 3.29Å; A765-A769 PolarHBondContact O-N 2.92Å; L767-A769 VanDerWaalsContact C-N 3.33Å; A769-N772 WeakPolarHBondContact O-CB 3.17Å; A769-N772 PolarHBondContact O-N 3.43Å; A769-N773 PolarHBondContact O-N 3.07Å; A769-N773 PolarHBondContact O-OD1 3.5Å
770	L	92.2	Very high	88.6	Confident	21 Å²	21	23.2 Å²	23.2	11%	0.11	12%	0.118	C	C	.	.	H	α-helix	trans	-61.5	-48.1	175.7	178	63.8	0	0	0	111.7	T381 L384 I385 A388 P766 L767 N772 N773 I774	T381-L770 HydrophobicContact CG2-CD1 3.84Å; T381-L770 WeakPolarHBondContact O-CD1 3.16Å; L384-L770 HydrophobicContact CB-CB 4.2Å; L384-L770 HydrophobicContact CB-CD1 4.11Å; I385-L770 HydrophobicContact CG1-CD1 3.77Å; I385-L770 HydrophobicContact CG1-CD2 4.1Å; A388-L770 HydrophobicContact CB-CD2 3.96Å; P766-L770 VanDerWaalsContact O-CB 3.24Å; P766-L770 WeakPolarHBondContact O-CB 3.46Å; P766-L770 PolarHBondContact O-N 3.48Å; L767-L770 PolarHBondContact O-N 2.88Å; L770-N772 VanDerWaalsContact C-N 3.31Å; L770-N772 PolarHBondContact O-N 3.42Å; L770-N773 PolarHBondContact O-N 3.24Å; L770-I774 HydrophobicContact CD1-CD1 4.17Å; L770-I774 HydrophobicContact CG-CD1 4.08Å; L770-I774 WeakPolarHBondContact O-CD1 3.29Å; L770-I774 VanDerWaalsContact O-CG1 3.28Å; L770-I774 WeakPolarHBondContact O-CG1 3.3Å; L770-I774 PolarHBondContact O-N 3.4Å; L770-I774 VanDerWaalsContact O-N 3.12Å
771	L	88.9	Confident	88.7	Confident	94 Å²	94	23 Å²	23	49%	0.492	12%	0.116	S	C	.	.	H	α-helix	trans	-60.9	-41.2	176.7	-69.4	172	0	0	0	111.8	L767 F768 I775	L767-L771 HydrophobicContact CG-CD1 4.48Å; L767-L771 WeakPolarHBondContact O-CG 3.37Å; L767-L771 PolarHBondContact O-N 2.97Å; F768-L771 HydrophobicContact CD1-CD1 4.45Å; L771-I775 PolarHBondContact O-N 3.17Å
772	N	86.6	Confident	88.8	Confident	21 Å²	21	25.4 Å²	25.4	11%	0.112	13%	0.127	C	C	.	.	H	α-helix	trans	-59.9	-53.2	175.7	-169	57.1	0	0	0	111.5	Q689 Q751 F768 A769 L770 I774 I775 E776	Q689-N772 WeakPolarHBondContact CB-OD1 3.34Å; Q689-N772 WeakPolarHBondContact CG-OD1 3.37Å; Q689-N772 PolarHBondContact OE1-ND2 3.45Å; Q751-N772 PolarHBondContact NE2-ND2 3.04Å; F768-N772 VanDerWaalsContact O-CB 3.26Å; F768-N772 WeakPolarHBondContact O-CB 3.48Å; F768-N772 PolarHBondContact O-N 3.34Å; A769-N772 WeakPolarHBondContact O-CB 3.17Å; A769-N772 PolarHBondContact O-N 3.43Å; L770-N772 VanDerWaalsContact C-N 3.31Å; L770-N772 PolarHBondContact O-N 3.42Å; N772-I774 VanDerWaalsContact C-N 3.31Å; N772-I774 PolarHBondContact O-N 2.95Å; N772-I775 WeakPolarHBondContact O-CB 3.26Å; N772-I775 PolarHBondContact O-N 3.43Å; N772-I775 VanDerWaalsContact O-N 3.08Å; N772-E776 PolarHBondContact O-N 2.66Å
773	N	89.9	Confident	88.9	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-36.6	-179.4	-72.9	28	0	0	0	113.7	Y380 T381 Q751 A769 L770 I775 E776 I777	Y380-N773 WeakPolarHBondContact CD1-ND2 3.47Å; Y380-N773 VanDerWaalsContact CE1-ND2 3.35Å; Y380-N773 WeakPolarHBondContact CE1-ND2 3.13Å; T381-N773 HydrophobicContact CG2-CB 3.86Å; T381-N773 VanDerWaalsContact OG1-CB 3.28Å; T381-N773 WeakPolarHBondContact OG1-CB 3.37Å; T381-N773 PolarHBondContact OG1-ND2 2.77Å; Q751-N773 PolarHBondContact NE2-OD1 3.43Å; Q751-N773 PolarHBondContact OE1-OD1 3.17Å; Q751-N773 VanDerWaalsContact OE1-OD1 3.11Å; A769-N773 PolarHBondContact O-N 3.07Å; A769-N773 PolarHBondContact O-OD1 3.5Å; L770-N773 PolarHBondContact O-N 3.24Å; N773-I775 PolarHBondContact O-N 2.82Å; N773-E776 PolarHBondContact O-N 3.46Å; N773-I777 VanDerWaalsContact O-CG1 3.3Å; N773-I777 WeakPolarHBondContact O-CG1 3.46Å; N773-I777 PolarHBondContact O-N 3.21Å
774	I	89.4	Confident	88.8	Confident	59 Å²	59	26.3 Å²	26.3	30%	0.303	13%	0.131	S	C	.	.	H	α-helix	trans	-62.3	-35.6	178.3	-71.5	164.5	0	0	0	110.9	F353 T381 L770 N772	F353-I774 HydrophobicContact CB-CG2 4.32Å; F353-I774 HydrophobicContact CD2-CG2 4.07Å; T381-I774 HydrophobicContact CG2-CG1 4.18Å; L770-I774 HydrophobicContact CD1-CD1 4.17Å; L770-I774 HydrophobicContact CG-CD1 4.08Å; L770-I774 WeakPolarHBondContact O-CD1 3.29Å; L770-I774 VanDerWaalsContact O-CG1 3.28Å; L770-I774 WeakPolarHBondContact O-CG1 3.3Å; L770-I774 PolarHBondContact O-N 3.4Å; L770-I774 VanDerWaalsContact O-N 3.12Å; N772-I774 VanDerWaalsContact C-N 3.31Å; N772-I774 PolarHBondContact O-N 2.95Å
775	I	86.1	Confident	88.8	Confident	100 Å²	100	25.1 Å²	25.1	51%	0.513	13%	0.125	S	C	.	.	H	α-helix	trans	-75.7	-48.4	173.9	-60.3	169.4	0	0	0	109.7	L771 N772 N773 I777 R778 L779	L771-I775 PolarHBondContact O-N 3.17Å; N772-I775 WeakPolarHBondContact O-CB 3.26Å; N772-I775 PolarHBondContact O-N 3.43Å; N772-I775 VanDerWaalsContact O-N 3.08Å; N773-I775 PolarHBondContact O-N 2.82Å; I775-I777 PolarHBondContact O-N 3.15Å; I775-R778 PolarHBondContact O-N 3.15Å; I775-L779 HydrophobicContact CG2-CD1 3.71Å; I775-L779 HydrophobicContact CG2-CG 4.02Å; I775-L779 PolarHBondContact O-N 3.08Å
776	E	86.5	Confident	88.5	Confident	7 Å²	7	27.6 Å²	27.6	3%	0.033	14%	0.137	C	C	.	.	H	α-helix	trans	-52.1	-51.1	-178	-164.8	78.2	164	0	0	112.8	Q689 N693 M748 N772 N773 R778 L779 D780	Q689-E776 PolarHBondContact NE2-OE1 3.37Å; Q689-E776 PolarHBondContact NE2-OE2 2.69Å; N693-E776 PolarHBondContact ND2-OE2 3.03Å; M748-E776 HydrophobicContact CE-CG 3.66Å; M748-E776 VanDerWaalsContact CE-OE1 3.25Å; M748-E776 WeakPolarHBondContact CE-OE1 3.44Å; M748-E776 HydrophobicContact SD-CG 4.08Å; N772-E776 PolarHBondContact O-N 2.66Å; N773-E776 PolarHBondContact O-N 3.46Å; E776-R778 PolarHBondContact O-N 2.78Å; E776-L779 PolarHBondContact O-N 3.19Å; E776-D780 PolarHBondContact O-N 3.41Å
777	I	89.3	Confident	88	Confident	12 Å²	12	31.2 Å²	31.2	6%	0.062	15%	0.154	C	C	.	.	H	α-helix	trans	-52	-34.1	179.5	-73.4	165.6	0	0	0	111.5	Q357 L377 T381 N773 I775 A781	Q357-I777 HydrophobicContact CG-CG2 4.16Å; L377-I777 HydrophobicContact CD2-CG1 3.55Å; L377-I777 HydrophobicContact CG-CD1 4.17Å; L377-I777 HydrophobicContact CG-CG1 3.64Å; T381-I777 HydrophobicContact CG2-CD1 4.26Å; N773-I777 VanDerWaalsContact O-CG1 3.3Å; N773-I777 WeakPolarHBondContact O-CG1 3.46Å; N773-I777 PolarHBondContact O-N 3.21Å; I775-I777 PolarHBondContact O-N 3.15Å; I777-A781 WeakPolarHBondContact O-CB 3.36Å; I777-A781 PolarHBondContact O-N 2.77Å
778	R	88.8	Confident	87.8	Confident	12 Å²	12	30.2 Å²	30.2	5%	0.045	15%	0.149	C	C	.	.	H	α-helix	trans	-90.3	-28.7	-177.7	-50.7	-59.3	169.7	160.8	3.1	112.6	W347 Y350 V352 F353 K355 I775 E776 K782	W347-R778 VanDerWaalsContact O-CD 3.29Å; W347-R778 WeakPolarHBondContact O-CD 3.28Å; W347-R778 PolarHBondContact O-NH1 3.3Å; Y350-R778 HydrophobicContact CD1-CB 3.95Å; Y350-R778 HydrophobicContact CE1-CB 4.38Å; V352-R778 VanDerWaalsContact O-CZ 3.3Å; V352-R778 PolarHBondContact O-NH1 3.32Å; V352-R778 PolarHBondContact O-NH2 2.89Å; F353-R778 VanDerWaalsContact C-NH2 3.33Å; F353-R778 PolarHBondContact O-NH2 3.33Å; K355-R778 PolarHBondContact O-NH2 3.3Å; I775-R778 PolarHBondContact O-N 3.15Å; E776-R778 PolarHBondContact O-N 2.78Å; R778-K782 VanDerWaalsContact O-CB 3.24Å; R778-K782 WeakPolarHBondContact O-CB 3.35Å; R778-K782 PolarHBondContact O-N 2.95Å; R778-K782 VanDerWaalsContact O-N 3.16Å
779	L	85.6	Confident	87.8	Confident	8 Å²	8	28.9 Å²	28.9	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-66.3	-54.8	171	-68.9	173.1	0	0	0	110.8	Y350 N693 I698 I775 E776 A781 K782 K783	Y350-L779 HydrophobicContact CE1-CD2 4.05Å; Y350-L779 WeakPolarHBondContact OH-CD2 3.18Å; N693-L779 HydrophobicContact CB-CD1 3.73Å; N693-L779 WeakPolarHBondContact ND2-CD1 3.44Å; I698-L779 HydrophobicContact CD1-CD2 3.79Å; I698-L779 HydrophobicContact CG1-CD2 4.19Å; I775-L779 HydrophobicContact CG2-CD1 3.71Å; I775-L779 HydrophobicContact CG2-CG 4.02Å; I775-L779 PolarHBondContact O-N 3.08Å; E776-L779 PolarHBondContact O-N 3.19Å; L779-A781 PolarHBondContact O-N 3.41Å; L779-K782 WeakPolarHBondContact O-CB 3.48Å; L779-K782 PolarHBondContact O-N 3.22Å; L779-K782 VanDerWaalsContact O-N 3.08Å; L779-K783 WeakPolarHBondContact O-CB 3.36Å; L779-K783 PolarHBondContact O-N 2.68Å
780	D	87.5	Confident	87.8	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-58.7	-48.2	177.5	-101.9	-20.3	0	0	0	110.9	Y373 F374 E776 K782 K783 F784	Y373-D780 VanDerWaalsContact CE1-OD2 3.23Å; Y373-D780 WeakPolarHBondContact CE1-OD2 3.34Å; Y373-D780 VanDerWaalsContact CZ-OD2 3.3Å; Y373-D780 PolarHBondContact OH-OD2 3.27Å; F374-D780 HydrophobicContact CE1-CB 3.76Å; F374-D780 HydrophobicContact CZ-CB 3.85Å; E776-D780 PolarHBondContact O-N 3.41Å; D780-K782 PolarHBondContact O-N 3.49Å; D780-K783 WeakPolarHBondContact O-CB 3.35Å; D780-K783 PolarHBondContact O-N 3.29Å; D780-K783 VanDerWaalsContact O-N 3.16Å; D780-K783 WeakPolarHBondContact OD1-CE 3.29Å; D780-K783 IonicContact OD1-NZ 2.67Å; D780-K783 PolarHBondContact OD1-NZ 3.3Å; D780-F784 VanDerWaalsContact O-CD2 3.31Å; D780-F784 WeakPolarHBondContact O-CD2 3.48Å; D780-F784 PolarHBondContact O-N 3.2Å
781	A	90.2	Very high	87.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-52.5	-41.7	175.7	0	0	0	0	0	112.4	W347 A348 I777 L779 V785	W347-A781 HydrophobicContact CD2-CB 3.66Å; W347-A781 VanDerWaalsContact CE2-CB 3.44Å; W347-A781 HydrophobicContact CE3-CB 3.81Å; W347-A781 HydrophobicContact CG-CB 4.41Å; W347-A781 HydrophobicContact CH2-CB 3.63Å; W347-A781 HydrophobicContact CZ2-CB 3.45Å; W347-A781 VanDerWaalsContact CZ2-CB 3.45Å; W347-A781 HydrophobicContact CZ3-CB 3.79Å; A348-A781 HydrophobicContact CB-CB 3.88Å; I777-A781 WeakPolarHBondContact O-CB 3.36Å; I777-A781 PolarHBondContact O-N 2.77Å; L779-A781 PolarHBondContact O-N 3.41Å; A781-V785 VanDerWaalsContact O-CB 3.3Å; A781-V785 WeakPolarHBondContact O-CB 3.35Å; A781-V785 WeakPolarHBondContact O-CG2 3.13Å; A781-V785 PolarHBondContact O-N 3.07Å
782	K	87.1	Confident	87.7	Confident	51 Å²	51	26.7 Å²	26.7	22%	0.222	13%	0.13	C	C	.	.	H	α-helix	trans	-72.4	-41.1	179.6	-171.8	170.4	-171.3	157.9	0	112.9	A348 Y350 R778 L779 D780 V785 L786	A348-K782 HydrophobicContact CB-CB 4.41Å; Y350-K782 HydrophobicContact CE1-CD 4.06Å; R778-K782 VanDerWaalsContact O-CB 3.24Å; R778-K782 WeakPolarHBondContact O-CB 3.35Å; R778-K782 PolarHBondContact O-N 2.95Å; R778-K782 VanDerWaalsContact O-N 3.16Å; L779-K782 WeakPolarHBondContact O-CB 3.48Å; L779-K782 PolarHBondContact O-N 3.22Å; L779-K782 VanDerWaalsContact O-N 3.08Å; D780-K782 PolarHBondContact O-N 3.49Å; K782-V785 PolarHBondContact O-N 2.93Å; K782-L786 HydrophobicContact CD-CD1 4.39Å; K782-L786 HydrophobicContact CG-CD1 3.71Å; K782-L786 HydrophobicContact CG-CG 4.19Å; K782-L786 VanDerWaalsContact O-CB 3.29Å; K782-L786 WeakPolarHBondContact O-CB 3.47Å; K782-L786 PolarHBondContact O-N 3.39Å
783	K	86.4	Confident	87.7	Confident	27 Å²	27	26.1 Å²	26.1	12%	0.117	13%	0.128	C	C	.	.	I	π-helix	trans	-59.3	-47.8	173	156.5	175.1	153.6	-155.4	0	111.8	E697 E744 L779 D780 V785 E787 L788	E697-K783 HydrophobicContact CG-CD 4.21Å; E697-K783 WeakPolarHBondContact OE1-CD 3.47Å; E697-K783 WeakPolarHBondContact OE1-CE 3.3Å; E697-K783 IonicContact OE1-NZ 3.8Å; E697-K783 PolarHBondContact OE1-NZ 3.33Å; E744-K783 VanDerWaalsContact OE1-CE 3.3Å; E744-K783 WeakPolarHBondContact OE1-CE 3.19Å; E744-K783 IonicContact OE1-NZ 2.78Å; E744-K783 PolarHBondContact OE1-NZ 2.84Å; L779-K783 WeakPolarHBondContact O-CB 3.36Å; L779-K783 PolarHBondContact O-N 2.68Å; D780-K783 WeakPolarHBondContact O-CB 3.35Å; D780-K783 PolarHBondContact O-N 3.29Å; D780-K783 VanDerWaalsContact O-N 3.16Å; D780-K783 WeakPolarHBondContact OD1-CE 3.29Å; D780-K783 IonicContact OD1-NZ 2.67Å; D780-K783 PolarHBondContact OD1-NZ 3.3Å; K783-V785 PolarHBondContact O-N 3.37Å; K783-E787 PolarHBondContact O-N 3.13Å; K783-L788 HydrophobicContact CG-CD1 3.73Å; K783-L788 HydrophobicContact CG-CG 4.03Å; K783-L788 PolarHBondContact O-N 2.89Å
784	F	88.7	Confident	87.4	Confident	1 Å²	1	28.2 Å²	28.2	0%	0.004	15%	0.145	C	C	.	.	I	π-helix	trans	-66	-31.3	174.6	-85.9	-83.9	0	0	0	113.9	F366 V370 F374 F738 I741 D780 L788 P791	F366-F784 HydrophobicContact CE1-CB 4.46Å; F366-F784 WeakPolarHBondContact CE1-O 3.45Å; F366-F784 HydrophobicContact CE2-CB 4.5Å; F366-F784 HydrophobicContact CZ-CB 4.07Å; F366-F784 WeakPolarHBondContact CZ-O 3.07Å; V370-F784 HydrophobicContact CG1-CD1 4.24Å; V370-F784 HydrophobicContact CG1-CE1 4.05Å; V370-F784 HydrophobicContact CG1-CZ 4.41Å; V370-F784 HydrophobicContact CG2-CE1 4.13Å; F374-F784 HydrophobicContact CE2-CD2 4.1Å; F374-F784 HydrophobicContact CE2-CE2 4.33Å; F374-F784 AromaticContact CZ-CD2 3.86Å; F374-F784 HydrophobicContact CZ-CD2 3.86Å; F374-F784 HydrophobicContact CZ-CE2 4.21Å; F738-F784 HydrophobicContact CD2-CE1 4.07Å; F738-F784 AromaticContact CE2-CE1 3.57Å; F738-F784 HydrophobicContact CE2-CE1 3.57Å; F738-F784 AromaticContact CE2-CZ 3.85Å; F738-F784 HydrophobicContact CE2-CZ 3.85Å; F738-F784 HydrophobicContact CZ-CE1 4.46Å; I741-F784 HydrophobicContact CD1-CZ 3.99Å; I741-F784 HydrophobicContact CG1-CZ 4.33Å; D780-F784 VanDerWaalsContact O-CD2 3.31Å; D780-F784 WeakPolarHBondContact O-CD2 3.48Å; D780-F784 PolarHBondContact O-N 3.2Å; F784-L788 HydrophobicContact CD1-CD1 4.41Å; F784-P791 HydrophobicContact CE1-CG 4.45Å
785	V	88.6	Confident	87	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	I	π-helix	trans	-88.3	-32.6	-178.8	170.8	0	0	0	0	113.4	I330 R340 L343 F344 W347 A348 F366 A781 K782 K783	I330-V785 HydrophobicContact CD1-CG1 3.97Å; R340-V785 HydrophobicContact CG-CG1 4.19Å; R340-V785 VanDerWaalsContact CZ-O 3.28Å; R340-V785 PolarHBondContact NE-O 2.8Å; R340-V785 PolarHBondContact NH2-O 2.93Å; L343-V785 HydrophobicContact CB-CG2 4.39Å; F344-V785 HydrophobicContact CB-CG1 4.03Å; F344-V785 HydrophobicContact CD2-CG1 4.1Å; W347-V785 HydrophobicContact CE3-CG2 4.38Å; W347-V785 HydrophobicContact CZ3-CG2 3.97Å; A348-V785 HydrophobicContact CB-CB 4.38Å; A348-V785 HydrophobicContact CB-CG2 4.29Å; F366-V785 HydrophobicContact CE2-CG2 4.2Å; F366-V785 HydrophobicContact CZ-CG2 4.02Å; A781-V785 VanDerWaalsContact O-CB 3.3Å; A781-V785 WeakPolarHBondContact O-CB 3.35Å; A781-V785 WeakPolarHBondContact O-CG2 3.13Å; A781-V785 PolarHBondContact O-N 3.07Å; K782-V785 PolarHBondContact O-N 2.93Å; K783-V785 PolarHBondContact O-N 3.37Å
786	L	83.8	Confident	86.9	Confident	55 Å²	55	25.3 Å²	25.3	29%	0.288	13%	0.13	S	C	.	.	I	π-helix	trans	-112	-41.5	-172.3	-60.7	-173.1	0	0	0	115.7	I330 F344 L735 K782	I330-L786 HydrophobicContact CD1-CD2 3.35Å; F344-L786 HydrophobicContact CD2-CD2 4.06Å; F344-L786 HydrophobicContact CD2-CG 4.37Å; F344-L786 HydrophobicContact CE2-CD1 3.86Å; F344-L786 HydrophobicContact CE2-CD2 4.08Å; F344-L786 HydrophobicContact CE2-CG 4.17Å; L735-L786 WeakPolarHBondContact CD2-O 3.19Å; K782-L786 HydrophobicContact CD-CD1 4.39Å; K782-L786 HydrophobicContact CG-CD1 3.71Å; K782-L786 HydrophobicContact CG-CG 4.19Å; K782-L786 VanDerWaalsContact O-CB 3.29Å; K782-L786 WeakPolarHBondContact O-CB 3.47Å; K782-L786 PolarHBondContact O-N 3.39Å
787	E	82.3	Confident	86.7	Confident	77 Å²	77	28.2 Å²	28.2	36%	0.36	14%	0.143	S	C	.	.	I	π-helix	trans	-107.1	-28.1	-160.4	-53	-157.4	174.2	0	0	113.7	G736 K783	G736-E787 PolarHBondContact N-O 2.83Å; K783-E787 PolarHBondContact O-N 3.13Å
788	L	86.5	Confident	86.6	Confident	30 Å²	30	30 Å²	30	16%	0.157	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-93.5	149.2	175.6	-61.2	177.8	0	0	0	111.9	H326 G736 F738 K783 F784	H326-L788 PolarHBondContact NE2-O 3.1Å; G736-L788 CarbonylContact O-C 3.38Å; G736-L788 WeakPolarHBondContact O-CA 3.01Å; F738-L788 HydrophobicContact CD2-CD1 4.39Å; K783-L788 HydrophobicContact CG-CD1 3.73Å; K783-L788 HydrophobicContact CG-CG 4.03Å; K783-L788 PolarHBondContact O-N 2.89Å; F784-L788 HydrophobicContact CD1-CD1 4.41Å
789	R	88.9	Confident	86.5	Confident	30 Å²	30	29.9 Å²	29.9	11%	0.113	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-65.7	147	163.4	-64.3	-177.7	-166	-169.9	3.9	110.1	S321 Y323 D732 H733 L735 G736 P791	S321-R789 VanDerWaalsContact CB-NH1 3.33Å; S321-R789 PolarHBondContact OG-NH1 3.49Å; Y323-R789 VanDerWaalsContact CD1-NH1 3.28Å; Y323-R789 VanDerWaalsContact CE1-NH1 3.3Å; D732-R789 VanDerWaalsContact O-CG 3.31Å; D732-R789 WeakPolarHBondContact O-CG 3.38Å; D732-R789 PolarHBondContact O-NE 2.84Å; H733-R789 PolarHBondContact O-NH2 3.11Å; L735-R789 HydrophobicContact CB-CG 3.78Å; L735-R789 PolarHBondContact O-NE 2.98Å; G736-R789 WeakPolarHBondContact O-CG 3.15Å; G736-R789 PolarHBondContact O-N 2.94Å; R789-P791 WeakPolarHBondContact O-CD 3.26Å
790	R	90.6	Very high	86.6	Confident	9 Å²	9	30.6 Å²	30.6	3%	0.034	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-52.6	119.1	177.9	-169.6	178.8	-167.9	159.7	9.4	111.2	S285 P324 L325 H326 D327 Y365	S285-R790 PolarHBondContact OG-NH1 2.96Å; P324-R790 HydrophobicContact CG-CB 4.19Å; P324-R790 HydrophobicContact CG-CG 4.22Å; P324-R790 WeakPolarHBondContact CG-O 3.29Å; L325-R790 WeakPolarHBondContact O-CD 3.16Å; L325-R790 PolarHBondContact O-NH1 2.89Å; H326-R790 PolarHBondContact NE2-N 2.95Å; D327-R790 IonicContact OD1-NH1 2.75Å; D327-R790 PolarHBondContact OD1-NH1 2.97Å; D327-R790 IonicContact OD2-CZ 3.06Å; D327-R790 IonicContact OD2-NH1 2.96Å; D327-R790 PolarHBondContact OD2-NH1 3.39Å; D327-R790 IonicContact OD2-NH2 2.67Å; D327-R790 PolarHBondContact OD2-NH2 2.76Å; D327-R790 VanDerWaalsContact OD2-NH2 3.12Å; Y365-R790 PolarHBondContact O-NE 3.48Å; Y365-R790 PolarHBondContact O-NH2 3.29Å
791	P	90.9	Very high	86.8	Confident	7 Å²	7	32.3 Å²	32.3	5%	0.045	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-66	152.4	172.8	27.9	-35.6	0	0	0	111.1	F366 V370 F738 F784 R789	F366-P791 HydrophobicContact CD1-CG 3.83Å; V370-P791 HydrophobicContact CG2-CG 4.09Å; F738-P791 HydrophobicContact CB-CB 4.48Å; F738-P791 HydrophobicContact CD1-CB 3.7Å; F738-P791 HydrophobicContact CD2-CB 4.18Å; F738-P791 HydrophobicContact CE1-CB 3.84Å; F738-P791 HydrophobicContact CE2-CB 4.32Å; F738-P791 HydrophobicContact CG-CB 3.87Å; F738-P791 HydrophobicContact CZ-CB 4.14Å; F784-P791 HydrophobicContact CE1-CG 4.45Å; R789-P791 WeakPolarHBondContact O-CD 3.26Å
792	I	87.9	Confident	86.9	Confident	53 Å²	53	32.6 Å²	32.6	27%	0.272	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-75.9	133	172.1	-55.5	154.7	0	0	0	108.3	Y103 Y293 P324 A794	Y103-I792 HydrophobicContact CE2-CG1 4.44Å; Y103-I792 WeakPolarHBondContact OH-CD1 3.27Å; Y293-I792 HydrophobicContact CD1-CD1 4.18Å; Y293-I792 HydrophobicContact CD1-CG2 3.66Å; Y293-I792 HydrophobicContact CD2-CD1 3.75Å; Y293-I792 HydrophobicContact CE1-CD1 3.96Å; Y293-I792 HydrophobicContact CE1-CG2 4.18Å; Y293-I792 HydrophobicContact CE2-CD1 3.57Å; Y293-I792 HydrophobicContact CG-CD1 4.05Å; Y293-I792 HydrophobicContact CG-CG2 3.94Å; P324-I792 HydrophobicContact CG-CG1 4.38Å; I792-A794 PolarHBondContact O-N 2.79Å
793	A	86.9	Confident	87.2	Confident	10 Å²	10	32.1 Å²	32.1	8%	0.083	17%	0.169	C	C	.	.			trans	-74	91.7	-175.7	0	0	0	0	0	112.6	K286	K286-A793 HydrophobicContact CD-CB 4.14Å; K286-A793 HydrophobicContact CG-CB 3.4Å; K286-A793 VanDerWaalsContact CG-CB 3.4Å
794	A	82.6	Confident	87.5	Confident	43 Å²	43	35.7 Å²	35.7	36%	0.355	19%	0.189	S	C	.	.			trans	-78.6	132.4	168.9	0	0	0	0	0	111.4	K369 I792	K369-A794 HydrophobicContact CB-CB 4.21Å; K369-A794 HydrophobicContact CD-CB 4.27Å; K369-A794 PolarHBondContact N-O 2.97Å; I792-A794 PolarHBondContact O-N 2.79Å
795	K	82.1	Confident	87.8	Confident	58 Å²	58	36.5 Å²	36.5	25%	0.252	19%	0.193	S	C	.	.			trans	-77.4	132.9	167.2	-64.6	175.5	-177.1	173.7	0	109.4	L482 Y485	L482-K795 HydrophobicContact CD2-CB 4.41Å; Y485-K795 HydrophobicContact CD1-CB 4.25Å; Y485-K795 HydrophobicContact CD2-CD 4.18Å; Y485-K795 HydrophobicContact CE1-CB 3.46Å; Y485-K795 VanDerWaalsContact CE1-CB 3.46Å; Y485-K795 HydrophobicContact CE1-CD 4.08Å; Y485-K795 HydrophobicContact CE1-CG 4.46Å; Y485-K795 HydrophobicContact CE2-CB 4.44Å; Y485-K795 HydrophobicContact CE2-CD 3.54Å
796	V	82.9	Confident	88	Confident	40 Å²	40	36.5 Å²	36.5	24%	0.242	19%	0.193	C	C	.	.			trans	-147.5	134.9	176.6	-163.8	0	0	0	0	109.2	K369 L482 D798	K369-V796 HydrophobicContact CB-CG2 3.75Å; K369-V796 HydrophobicContact CD-CG2 4.04Å; K369-V796 HydrophobicContact CG-CG2 3.86Å; L482-V796 WeakPolarHBondContact CD1-O 3.38Å; V796-D798 WeakPolarHBondContact CG1-O 3.23Å
797	K	82.5	Confident	88.4	Confident	68 Å²	68	38.9 Å²	38.9	30%	0.296	20%	0.199	S	C	.	.	S	Bend	trans	-85.1	-14	-177.4	68.8	-172.6	178.5	-170.2	0	114.1	N477 E490	N477-K797 PolarHBondContact ND2-O 3.49Å; N477-K797 PolarHBondContact OD1-O 2.95Å; E490-K797 IonicContact OE1-NZ 2.62Å; E490-K797 PolarHBondContact OE1-NZ 3.21Å
798	D	87.8	Confident	88.9	Confident	49 Å²	49	37 Å²	37	26%	0.262	20%	0.2	S	C	.	.	S	Bend	trans	-160.1	164.7	-168.1	64.1	-53.5	0	0	0	111.9	L372 V796 G800	L372-D798 VanDerWaalsContact CD2-C 3.48Å; V796-D798 WeakPolarHBondContact CG1-O 3.23Å; D798-G800 PolarHBondContact O-N 2.77Å; D798-G800 WeakPolarHBondContact OD2-CA 3.26Å; D798-G800 PolarHBondContact OD2-N 3.07Å
799	I	87.6	Confident	89.3	Confident	11 Å²	11	36 Å²	36	6%	0.056	20%	0.195	C	C	.	.			trans	-74.1	-0.2	172.3	66.3	174.1	0	0	0	113.1	L372 W469 Y745 W802 L806	L372-I799 HydrophobicContact CD2-CG2 3.95Å; L372-I799 HydrophobicContact CG-CG2 4.16Å; W469-I799 HydrophobicContact CZ2-CG2 3.82Å; Y745-I799 HydrophobicContact CE1-CB 4.42Å; Y745-I799 HydrophobicContact CE1-CG2 4.19Å; Y745-I799 WeakPolarHBondContact OH-CG2 3.5Å; I799-W802 HydrophobicContact CB-CB 4.4Å; I799-W802 HydrophobicContact CD1-CB 4.11Å; I799-W802 HydrophobicContact CG1-CB 4.22Å; I799-L806 HydrophobicContact CD1-CD1 4.27Å
800	G	87.7	Confident	89.4	Confident	22 Å²	22	35.5 Å²	35.5	23%	0.227	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	-141.2	177.2	0	0	0	0	0	113.3	D798 W802 Y803	D798-G800 PolarHBondContact O-N 2.77Å; D798-G800 WeakPolarHBondContact OD2-CA 3.26Å; D798-G800 PolarHBondContact OD2-N 3.07Å; G800-W802 PolarHBondContact O-N 2.86Å; G800-Y803 PolarHBondContact O-N 3.45Å
801	I	90.4	Very high	89.5	Confident	38 Å²	38	38.7 Å²	38.7	20%	0.195	21%	0.21	C	C	.	.	H	α-helix	trans	-52.6	-27.3	-176	-169.8	60.8	0	0	0	113.9	E621 I624 Y803 N804 L805	E621-I801 HydrophobicContact CG-CB 4.49Å; I624-I801 HydrophobicContact CB-CG2 4.05Å; I624-I801 HydrophobicContact CD1-CG2 3.77Å; I624-I801 HydrophobicContact CG2-CG2 3.62Å; I801-Y803 VanDerWaalsContact C-N 3.27Å; I801-Y803 PolarHBondContact O-N 3.24Å; I801-N804 HydrophobicContact CD1-CB 4.37Å; I801-N804 PolarHBondContact O-N 3.46Å; I801-N804 VanDerWaalsContact O-N 3.12Å; I801-L805 HydrophobicContact CG1-CD1 4.44Å; I801-L805 HydrophobicContact CG1-CG 4.46Å; I801-L805 PolarHBondContact O-N 3.07Å; I801-L805 VanDerWaalsContact O-N 3.08Å
802	W	93.3	Very high	89.6	Confident	5 Å²	5	41.5 Å²	41.5	2%	0.019	23%	0.227	C	C	.	.	H	α-helix	trans	-57.8	-35	177.4	-62.3	127.3	0	0	0	113.5	I624 N742 Y745 M746 I749 I799 G800 L805 L806	I624-W802 HydrophobicContact CB-CH2 4.41Å; I624-W802 HydrophobicContact CB-CZ2 4.34Å; I624-W802 HydrophobicContact CD1-CZ2 3.95Å; I624-W802 HydrophobicContact CG1-CH2 4.25Å; I624-W802 HydrophobicContact CG1-CZ2 3.77Å; I624-W802 HydrophobicContact CG2-CD2 4.07Å; I624-W802 HydrophobicContact CG2-CE3 3.82Å; I624-W802 HydrophobicContact CG2-CH2 3.46Å; I624-W802 VanDerWaalsContact CG2-CH2 3.46Å; I624-W802 HydrophobicContact CG2-CZ2 3.64Å; I624-W802 HydrophobicContact CG2-CZ3 3.53Å; N742-W802 HydrophobicContact CB-CZ2 4.11Å; N742-W802 WeakPolarHBondContact O-CZ2 3.29Å; Y745-W802 VanDerWaalsContact CB-CE2 3.41Å; Y745-W802 HydrophobicContact CD1-CG 4.34Å; Y745-W802 AromaticContact CD2-CD1 3.92Å; Y745-W802 AromaticContact CD2-NE1 3.63Å; Y745-W802 AromaticContact CG-CD1 3.77Å; Y745-W802 HydrophobicContact CG-CD2 4.42Å; Y745-W802 HydrophobicContact CG-CG 4.28Å; Y745-W802 AromaticContact CG-NE1 3.63Å; M746-W802 HydrophobicContact CB-CH2 3.91Å; M746-W802 HydrophobicContact CE-CH2 3.7Å; M746-W802 HydrophobicContact CE-CZ3 4.16Å; M746-W802 HydrophobicContact SD-CH2 3.87Å; M746-W802 HydrophobicContact SD-CZ3 3.91Å; I749-W802 HydrophobicContact CD1-CB 3.76Å; I749-W802 HydrophobicContact CD1-CD2 3.7Å; I749-W802 HydrophobicContact CD1-CE3 3.29Å; I749-W802 HydrophobicContact CD1-CG 3.93Å; I749-W802 HydrophobicContact CD1-CZ3 4Å; I799-W802 HydrophobicContact CB-CB 4.4Å; I799-W802 HydrophobicContact CD1-CB 4.11Å; I799-W802 HydrophobicContact CG1-CB 4.22Å; G800-W802 PolarHBondContact O-N 2.86Å; W802-L805 HydrophobicContact CE3-CD1 3.72Å; W802-L805 HydrophobicContact CZ3-CD1 4.02Å; W802-L805 PolarHBondContact O-N 3.25Å; W802-L806 WeakPolarHBondContact O-CG 3.37Å; W802-L806 PolarHBondContact O-N 3.03Å
803	Y	92.9	Very high	90	Very high	42 Å²	42	39.4 Å²	39.4	17%	0.165	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-44.2	175.3	177.6	-93.6	0	0	0	111.7	M466 K470 G800 I801 L805 L806 R807	M466-Y803 HydrophobicContact CE-CD2 3.53Å; M466-Y803 HydrophobicContact CE-CE1 4.49Å; M466-Y803 HydrophobicContact CE-CE2 3.29Å; M466-Y803 HydrophobicContact CE-CG 4.22Å; M466-Y803 WeakPolarHBondContact CE-O 3.12Å; M466-Y803 HydrophobicContact SD-CD2 4.48Å; M466-Y803 HydrophobicContact SD-CE2 4.29Å; K470-Y803 WeakPolarHBondContact CE-OH 3.31Å; K470-Y803 HydrophobicContact CG-CE2 4.05Å; G800-Y803 PolarHBondContact O-N 3.45Å; I801-Y803 VanDerWaalsContact C-N 3.27Å; I801-Y803 PolarHBondContact O-N 3.24Å; Y803-L805 VanDerWaalsContact C-N 3.34Å; Y803-L805 PolarHBondContact O-N 3.03Å; Y803-L806 PolarHBondContact O-N 3.33Å; Y803-R807 PolarHBondContact O-N 3.21Å
804	N	92.5	Very high	90.3	Very high	102 Å²	102	39.3 Å²	39.3	55%	0.545	22%	0.215	S	C	.	.	H	α-helix	trans	-66.5	-37.4	179	-65.7	-32.7	0	0	0	111.6	I801 R807 G808	I801-N804 HydrophobicContact CD1-CB 4.37Å; I801-N804 PolarHBondContact O-N 3.46Å; I801-N804 VanDerWaalsContact O-N 3.12Å; N804-R807 PolarHBondContact O-N 3.05Å; N804-G808 PolarHBondContact O-N 3.18Å
805	L	93.9	Very high	90.9	Very high	18 Å²	18	40 Å²	40	9%	0.094	21%	0.212	C	C	.	.	H	α-helix	trans	-64.6	-46	174.8	-67.7	175.3	0	0	0	111.7	I624 F625 F628 I801 W802 Y803 R807 G808 L809	I624-L805 HydrophobicContact CG2-CD1 4.01Å; F625-L805 HydrophobicContact CD2-CD2 4.27Å; F628-L805 HydrophobicContact CB-CD1 4.24Å; F628-L805 HydrophobicContact CD1-CD1 4.27Å; F628-L805 HydrophobicContact CD1-CD2 3.71Å; F628-L805 HydrophobicContact CD2-CD1 4.34Å; F628-L805 HydrophobicContact CE1-CD2 3.87Å; F628-L805 HydrophobicContact CG-CD1 4.01Å; F628-L805 HydrophobicContact CG-CD2 4.3Å; I801-L805 HydrophobicContact CG1-CD1 4.44Å; I801-L805 HydrophobicContact CG1-CG 4.46Å; I801-L805 PolarHBondContact O-N 3.07Å; I801-L805 VanDerWaalsContact O-N 3.08Å; W802-L805 HydrophobicContact CE3-CD1 3.72Å; W802-L805 HydrophobicContact CZ3-CD1 4.02Å; W802-L805 PolarHBondContact O-N 3.25Å; Y803-L805 VanDerWaalsContact C-N 3.34Å; Y803-L805 PolarHBondContact O-N 3.03Å; L805-R807 PolarHBondContact O-N 3.06Å; L805-G808 PolarHBondContact O-N 2.94Å; L805-L809 WeakPolarHBondContact O-CB 3.33Å; L805-L809 PolarHBondContact O-N 3.42Å
806	L	93.9	Very high	91.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-41.6	174.4	-75.7	166.4	0	0	0	112.6	W376 M466 I749 F752 I799 W802 Y803 L809 S810	W376-L806 HydrophobicContact CZ2-CD1 3.86Å; M466-L806 HydrophobicContact CE-CB 3.57Å; M466-L806 HydrophobicContact SD-CB 3.7Å; M466-L806 HydrophobicContact SD-CD1 4.15Å; M466-L806 HydrophobicContact SD-CG 4.49Å; I749-L806 HydrophobicContact CD1-CD1 4.48Å; I749-L806 HydrophobicContact CD1-CG 4.36Å; I749-L806 HydrophobicContact CG1-CD2 4.05Å; I749-L806 HydrophobicContact CG1-CG 4.23Å; I749-L806 HydrophobicContact CG2-CD2 4.23Å; F752-L806 HydrophobicContact CB-CD2 4.2Å; F752-L806 HydrophobicContact CD1-CD2 3.49Å; F752-L806 VanDerWaalsContact CD1-CD2 3.49Å; F752-L806 HydrophobicContact CD2-CD2 4.17Å; F752-L806 HydrophobicContact CE1-CD2 3.79Å; F752-L806 HydrophobicContact CE2-CD2 4.43Å; F752-L806 HydrophobicContact CG-CD2 3.69Å; F752-L806 HydrophobicContact CZ-CD2 4.25Å; I799-L806 HydrophobicContact CD1-CD1 4.27Å; W802-L806 WeakPolarHBondContact O-CG 3.37Å; W802-L806 PolarHBondContact O-N 3.03Å; Y803-L806 PolarHBondContact O-N 3.33Å; L806-L809 PolarHBondContact O-N 3.41Å; L806-S810 WeakPolarHBondContact O-CB 3.33Å; L806-S810 PolarHBondContact O-N 2.96Å; L806-S810 PolarHBondContact O-OG 3.26Å
807	R	92.1	Very high	91.9	Very high	105 Å²	105	36.8 Å²	36.8	40%	0.396	20%	0.198	S	C	.	.	H	α-helix	trans	-67.2	-42.3	178.6	-164.5	178.3	-168.3	-130.8	5.2	111.8	M466 Y803 N804 L805 S810 K811 D922	M466-R807 HydrophobicContact CE-CB 3.98Å; Y803-R807 PolarHBondContact O-N 3.21Å; N804-R807 PolarHBondContact O-N 3.05Å; L805-R807 PolarHBondContact O-N 3.06Å; R807-S810 PolarHBondContact O-N 3.12Å; R807-K811 PolarHBondContact O-N 3.42Å; R807-D922 IonicContact CZ-OD2 2.64Å; R807-D922 IonicContact NH2-OD2 2.76Å; R807-D922 PolarHBondContact NH2-OD2 3.35Å
808	G	92.6	Very high	92.5	Very high	38 Å²	38	33.6 Å²	33.6	39%	0.392	18%	0.184	S	C	.	.	H	α-helix	trans	-62.9	-47.6	174.5	0	0	0	0	0	112.3	N804 L805 S810 K811 V812	N804-G808 PolarHBondContact O-N 3.18Å; L805-G808 PolarHBondContact O-N 2.94Å; G808-S810 VanDerWaalsContact C-N 3.32Å; G808-S810 PolarHBondContact O-N 3.32Å; G808-K811 PolarHBondContact O-N 2.91Å; G808-V812 WeakPolarHBondContact O-CG2 3.46Å; G808-V812 PolarHBondContact O-N 3.48Å
809	L	94.1	Very high	92.8	Very high	9 Å²	9	35 Å²	35	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-58.5	-41.4	177.3	-178.2	48.7	0	0	0	112.1	F632 I749 F752 L757 L805 L806 V812 A813	F632-L809 HydrophobicContact CE2-CD1 3.84Å; I749-L809 HydrophobicContact CG2-CD2 4.28Å; F752-L809 HydrophobicContact CD1-CD2 3.84Å; F752-L809 HydrophobicContact CD1-CG 4.15Å; F752-L809 HydrophobicContact CE1-CD2 4.44Å; F752-L809 HydrophobicContact CE1-CG 4.32Å; L757-L809 HydrophobicContact CD1-CD1 3.84Å; L757-L809 HydrophobicContact CD2-CD1 4.02Å; L757-L809 HydrophobicContact CG-CD1 3.92Å; L805-L809 WeakPolarHBondContact O-CB 3.33Å; L805-L809 PolarHBondContact O-N 3.42Å; L806-L809 PolarHBondContact O-N 3.41Å; L809-V812 PolarHBondContact O-N 3.42Å; L809-A813 WeakPolarHBondContact O-CB 3.44Å; L809-A813 PolarHBondContact O-N 3.38Å
810	S	93	Very high	92.9	Very high	18 Å²	18	34.5 Å²	34.5	13%	0.126	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-41.8	175.6	-56.7	0	0	0	0	112.7	L806 R807 G808 A813 V814	L806-S810 WeakPolarHBondContact O-CB 3.33Å; L806-S810 PolarHBondContact O-N 2.96Å; L806-S810 PolarHBondContact O-OG 3.26Å; R807-S810 PolarHBondContact O-N 3.12Å; G808-S810 VanDerWaalsContact C-N 3.32Å; G808-S810 PolarHBondContact O-N 3.32Å; S810-A813 PolarHBondContact O-N 2.92Å; S810-V814 PolarHBondContact O-N 3.07Å
811	K	91.6	Very high	93.1	Very high	77 Å²	77	33.7 Å²	33.7	34%	0.335	18%	0.175	S	C	.	.	H	α-helix	trans	-70.6	-32.4	176.1	-70.3	-165.9	178.7	-112.5	0	112.7	R807 G808 D919	R807-K811 PolarHBondContact O-N 3.42Å; G808-K811 PolarHBondContact O-N 2.91Å; K811-D919 VanDerWaalsContact NZ-CG 3.29Å; K811-D919 IonicContact NZ-OD1 2.88Å; K811-D919 PolarHBondContact NZ-OD1 2.94Å; K811-D919 IonicContact NZ-OD2 2.66Å; K811-D919 PolarHBondContact NZ-OD2 3.04Å
812	V	93.7	Very high	93.2	Very high	66 Å²	66	31.9 Å²	31.9	40%	0.4	17%	0.166	S	C	.	.	H	α-helix	trans	-67.8	-37.5	171.3	174.9	0	0	0	0	111.5	L757 G808 L809 V814 I815 V816	L757-V812 HydrophobicContact CD2-CB 4.45Å; L757-V812 HydrophobicContact CD2-CG1 3.83Å; G808-V812 WeakPolarHBondContact O-CG2 3.46Å; G808-V812 PolarHBondContact O-N 3.48Å; L809-V812 PolarHBondContact O-N 3.42Å; V812-V814 VanDerWaalsContact C-N 3.32Å; V812-V814 PolarHBondContact O-N 3.29Å; V812-I815 WeakPolarHBondContact O-CB 3.24Å; V812-I815 PolarHBondContact O-N 3.48Å; V812-I815 VanDerWaalsContact O-N 3.08Å; V812-V816 HydrophobicContact CG1-CG2 3.91Å; V812-V816 WeakPolarHBondContact O-CG2 3.41Å; V812-V816 PolarHBondContact O-N 2.93Å
813	A	94.9	Very high	92.9	Very high	8 Å²	8	33.7 Å²	33.7	7%	0.066	17%	0.174	C	C	.	.	H	α-helix	trans	-60.1	-36	178.6	0	0	0	0	0	113.8	L757 L809 S810 I815 V816 N817	L757-A813 HydrophobicContact CD2-CB 4.25Å; L809-A813 WeakPolarHBondContact O-CB 3.44Å; L809-A813 PolarHBondContact O-N 3.38Å; S810-A813 PolarHBondContact O-N 2.92Å; A813-I815 VanDerWaalsContact C-N 3.31Å; A813-I815 PolarHBondContact O-N 2.93Å; A813-V816 PolarHBondContact O-N 3.46Å; A813-N817 WeakPolarHBondContact O-CB 3.41Å; A813-N817 PolarHBondContact O-N 3.35Å; A813-N817 PolarHBondContact O-ND2 3.03Å
814	V	94.7	Very high	92.6	Very high	8 Å²	8	32.2 Å²	32.2	5%	0.048	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-43.9	173.5	178.8	0	0	0	0	111.2	A459 S810 V812 A818 V914 M915	A459-V814 HydrophobicContact CB-CG2 4.05Å; S810-V814 PolarHBondContact O-N 3.07Å; V812-V814 VanDerWaalsContact C-N 3.32Å; V812-V814 PolarHBondContact O-N 3.29Å; V814-A818 WeakPolarHBondContact O-CB 3.32Å; V814-A818 PolarHBondContact O-N 2.86Å; V814-V914 HydrophobicContact CB-CG1 4.43Å; V814-V914 HydrophobicContact CG1-CB 3.82Å; V814-V914 HydrophobicContact CG1-CG1 3.69Å; V814-V914 HydrophobicContact CG2-CG1 3.89Å; V814-M915 HydrophobicContact CB-CE 4.27Å; V814-M915 HydrophobicContact CG1-CE 4.32Å; V814-M915 HydrophobicContact CG1-CG 4.08Å
815	I	94.1	Very high	92.4	Very high	57 Å²	57	27.8 Å²	27.8	29%	0.292	15%	0.147	S	C	.	.	H	α-helix	trans	-67.7	-50	179.7	-56.4	174.7	0	0	0	110.3	V812 A813 N817 A818 F819 Q911 M915	V812-I815 WeakPolarHBondContact O-CB 3.24Å; V812-I815 PolarHBondContact O-N 3.48Å; V812-I815 VanDerWaalsContact O-N 3.08Å; A813-I815 VanDerWaalsContact C-N 3.31Å; A813-I815 PolarHBondContact O-N 2.93Å; I815-N817 PolarHBondContact O-N 2.74Å; I815-A818 WeakPolarHBondContact O-CB 3.35Å; I815-A818 PolarHBondContact O-N 2.87Å; I815-F819 HydrophobicContact CG2-CD2 3.85Å; I815-F819 HydrophobicContact CG2-CE2 3.78Å; I815-F819 WeakPolarHBondContact O-CD2 3.48Å; I815-F819 PolarHBondContact O-N 3.46Å; I815-F819 VanDerWaalsContact O-N 3.1Å; I815-Q911 HydrophobicContact CG1-CG 4.36Å; I815-M915 HydrophobicContact CD1-CE 3.98Å; I815-M915 HydrophobicContact CG1-CE 3.64Å
816	V	94.1	Very high	92	Very high	25 Å²	25	28 Å²	28	15%	0.152	15%	0.148	C	C	.	.	H	α-helix	trans	-62.6	-43.4	-176.5	179.5	0	0	0	0	111.5	F644 L757 F758 V812 A813 A818 F819 V820	F644-V816 HydrophobicContact CE2-CG1 4.3Å; F644-V816 HydrophobicContact CZ-CG1 4.02Å; L757-V816 HydrophobicContact CD2-CB 4.26Å; L757-V816 HydrophobicContact CD2-CG2 3.96Å; L757-V816 WeakPolarHBondContact O-CG1 3.36Å; F758-V816 HydrophobicContact CD1-CG1 4.39Å; F758-V816 HydrophobicContact CE1-CG1 3.94Å; F758-V816 HydrophobicContact CZ-CG1 4.15Å; V812-V816 HydrophobicContact CG1-CG2 3.91Å; V812-V816 WeakPolarHBondContact O-CG2 3.41Å; V812-V816 PolarHBondContact O-N 2.93Å; A813-V816 PolarHBondContact O-N 3.46Å; V816-A818 PolarHBondContact O-N 3.12Å; V816-F819 PolarHBondContact O-N 3.4Å; V816-V820 HydrophobicContact CG1-CG2 4.45Å; V816-V820 WeakPolarHBondContact O-CG2 3.24Å; V816-V820 PolarHBondContact O-N 2.89Å
817	N	93.5	Very high	91.8	Very high	7 Å²	7	29.9 Å²	29.9	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-64.3	-37.7	175.9	-72.9	-69.1	0	0	0	112.6	S455 T756 L757 V759 A760 A813 I815 F819 V820 I821	S455-N817 VanDerWaalsContact OG-CB 3.29Å; S455-N817 WeakPolarHBondContact OG-CB 3.39Å; T756-N817 PolarHBondContact O-ND2 2.66Å; L757-N817 PolarHBondContact O-OD1 3.17Å; V759-N817 PolarHBondContact N-OD1 3.26Å; A760-N817 HydrophobicContact CB-CB 4.08Å; A760-N817 VanDerWaalsContact CB-OD1 3.3Å; A760-N817 WeakPolarHBondContact CB-OD1 3.36Å; A760-N817 PolarHBondContact N-OD1 2.99Å; A813-N817 WeakPolarHBondContact O-CB 3.41Å; A813-N817 PolarHBondContact O-N 3.35Å; A813-N817 PolarHBondContact O-ND2 3.03Å; I815-N817 PolarHBondContact O-N 2.74Å; N817-F819 VanDerWaalsContact C-N 3.32Å; N817-F819 PolarHBondContact O-N 3.31Å; N817-V820 PolarHBondContact O-N 2.75Å; N817-V820 VanDerWaalsContact O-N 3.15Å; N817-I821 WeakPolarHBondContact O-CG1 3.37Å; N817-I821 PolarHBondContact O-N 3.18Å
818	A	94.1	Very high	91.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.3	-44.5	174.4	0	0	0	0	0	111.6	V814 I815 V816 A822 V907 F910	V814-A818 WeakPolarHBondContact O-CB 3.32Å; V814-A818 PolarHBondContact O-N 2.86Å; I815-A818 WeakPolarHBondContact O-CB 3.35Å; I815-A818 PolarHBondContact O-N 2.87Å; V816-A818 PolarHBondContact O-N 3.12Å; A818-A822 VanDerWaalsContact O-CB 3.31Å; A818-A822 WeakPolarHBondContact O-CB 3.36Å; A818-A822 PolarHBondContact O-N 3.43Å; A818-V907 HydrophobicContact CB-CG1 4.16Å; A818-F910 HydrophobicContact CB-CD1 3.61Å; A818-F910 HydrophobicContact CB-CE1 4.18Å; A818-F910 HydrophobicContact CB-CG 4.34Å
819	F	93.2	Very high	91.8	Very high	79 Å²	79	23.2 Å²	23.2	35%	0.346	12%	0.119	S	C	.	.	H	α-helix	trans	-66.9	-36.6	174.3	-82.1	-80.4	0	0	0	112.9	F644 I815 V816 N817 F823 V907	F644-F819 HydrophobicContact CD1-CB 4.48Å; F644-F819 HydrophobicContact CE1-CB 3.67Å; F644-F819 HydrophobicContact CZ-CB 4.02Å; I815-F819 HydrophobicContact CG2-CD2 3.85Å; I815-F819 HydrophobicContact CG2-CE2 3.78Å; I815-F819 WeakPolarHBondContact O-CD2 3.48Å; I815-F819 PolarHBondContact O-N 3.46Å; I815-F819 VanDerWaalsContact O-N 3.1Å; V816-F819 PolarHBondContact O-N 3.4Å; N817-F819 VanDerWaalsContact C-N 3.32Å; N817-F819 PolarHBondContact O-N 3.31Å; F819-F823 AromaticContact CD1-CD2 3.69Å; F819-F823 HydrophobicContact CD1-CD2 3.69Å; F819-F823 AromaticContact CD1-CE2 3.69Å; F819-F823 HydrophobicContact CD1-CE2 3.69Å; F819-F823 HydrophobicContact CE1-CD2 4.38Å; F819-F823 AromaticContact CE1-CE2 3.92Å; F819-F823 HydrophobicContact CE1-CE2 3.92Å; F819-F823 WeakPolarHBondContact O-CB 3.3Å; F819-F823 PolarHBondContact O-N 2.93Å; F819-V907 HydrophobicContact CD1-CG2 4.41Å; F819-V907 HydrophobicContact CD2-CG1 4.26Å; F819-V907 HydrophobicContact CE2-CG1 3.93Å; F819-V907 HydrophobicContact CZ-CG1 4.06Å
820	V	90.9	Very high	91.6	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	12%	0.124	C	C	.	.	I	π-helix	trans	-63	-46.7	175.7	169.1	0	0	0	0	111	F644 F758 A760 V816 N817 T824 S825	F644-V820 HydrophobicContact CE1-CG2 3.91Å; F644-V820 HydrophobicContact CZ-CG2 3.75Å; F758-V820 HydrophobicContact CD1-CG2 4.32Å; A760-V820 HydrophobicContact CB-CG1 4.16Å; V816-V820 HydrophobicContact CG1-CG2 4.45Å; V816-V820 WeakPolarHBondContact O-CG2 3.24Å; V816-V820 PolarHBondContact O-N 2.89Å; N817-V820 PolarHBondContact O-N 2.75Å; N817-V820 VanDerWaalsContact O-N 3.15Å; V820-T824 WeakPolarHBondContact O-CA 3.32Å; V820-T824 VanDerWaalsContact O-CB 3.29Å; V820-T824 WeakPolarHBondContact O-CB 3.36Å; V820-T824 PolarHBondContact O-N 2.9Å; V820-S825 PolarHBondContact O-N 3.31Å
821	I	91.2	Very high	91.5	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.021	13%	0.134	C	C	.	.	I	π-helix	trans	-67.6	-41.3	179.3	-61.9	164.1	0	0	0	111.1	V452 A760 N817 S825 F827 F906 F910	V452-I821 HydrophobicContact CG1-CD1 4.43Å; V452-I821 HydrophobicContact CG2-CG2 4.02Å; A760-I821 HydrophobicContact CB-CD1 3.91Å; A760-I821 HydrophobicContact CB-CG1 3.65Å; N817-I821 WeakPolarHBondContact O-CG1 3.37Å; N817-I821 PolarHBondContact O-N 3.18Å; I821-S825 WeakPolarHBondContact O-CB 3.46Å; I821-F827 HydrophobicContact CG2-CD1 4.08Å; I821-F906 HydrophobicContact CB-CE1 3.94Å; I821-F906 HydrophobicContact CB-CZ 4.38Å; I821-F906 HydrophobicContact CG2-CE1 3.55Å; I821-F906 HydrophobicContact CG2-CZ 3.59Å; I821-F910 HydrophobicContact CD1-CE2 3.95Å; I821-F910 HydrophobicContact CD1-CZ 3.94Å
822	A	92.1	Very high	91.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-71.8	-46.9	179.8	0	0	0	0	0	112.8	A818 R903 F906 V907	A818-A822 VanDerWaalsContact O-CB 3.31Å; A818-A822 WeakPolarHBondContact O-CB 3.36Å; A818-A822 PolarHBondContact O-N 3.43Å; A822-R903 HydrophobicContact CB-CB 4.37Å; A822-R903 HydrophobicContact CB-CG 4.49Å; A822-R903 WeakPolarHBondContact O-CD 3.49Å; A822-R903 WeakPolarHBondContact O-CG 3.43Å; A822-R903 PolarHBondContact O-NE 3.09Å; A822-F906 HydrophobicContact CB-CD1 4.12Å; A822-V907 HydrophobicContact CB-CG2 3.48Å; A822-V907 VanDerWaalsContact CB-CG2 3.48Å
823	F	88.8	Confident	91.6	Very high	43 Å²	43	21.5 Å²	21.5	19%	0.189	11%	0.106	C	C	.	.	I	π-helix	trans	-102.6	-43.1	-169.2	-70.5	-91.5	0	0	0	114.3	R648 F819 L900 R903 L904 V907	R648-F823 VanDerWaalsContact CZ-O 3.22Å; R648-F823 PolarHBondContact NH1-O 3.17Å; R648-F823 PolarHBondContact NH2-O 2.95Å; F819-F823 AromaticContact CD1-CD2 3.69Å; F819-F823 HydrophobicContact CD1-CD2 3.69Å; F819-F823 AromaticContact CD1-CE2 3.69Å; F819-F823 HydrophobicContact CD1-CE2 3.69Å; F819-F823 HydrophobicContact CE1-CD2 4.38Å; F819-F823 AromaticContact CE1-CE2 3.92Å; F819-F823 HydrophobicContact CE1-CE2 3.92Å; F819-F823 WeakPolarHBondContact O-CB 3.3Å; F819-F823 PolarHBondContact O-N 2.93Å; F823-L900 HydrophobicContact CE1-CD1 4.05Å; F823-L900 HydrophobicContact CZ-CD1 4.39Å; F823-R903 HydrophobicContact CZ-CB 4.28Å; F823-L904 HydrophobicContact CZ-CD2 4.05Å; F823-V907 HydrophobicContact CE2-CG2 4.3Å
824	T	86.4	Confident	91.5	Very high	12 Å²	12	24.6 Å²	24.6	7%	0.074	12%	0.119	C	C	.	.	I	π-helix	trans	-83.1	-35.2	-172.9	-46.3	0	0	0	0	112.7	A643 V820	A643-T824 WeakPolarHBondContact O-CG2 3.39Å; A643-T824 PolarHBondContact O-OG1 2.82Å; V820-T824 WeakPolarHBondContact O-CA 3.32Å; V820-T824 VanDerWaalsContact O-CB 3.29Å; V820-T824 WeakPolarHBondContact O-CB 3.36Å; V820-T824 PolarHBondContact O-N 2.9Å
825	S	87.2	Confident	91.4	Very high	8 Å²	8	32.9 Å²	32.9	6%	0.056	15%	0.151	C	C	.	.	S	Bend	trans	-79	156.2	173.7	161.1	0	0	0	0	112.6	D447 V820 I821 F827	D447-S825 VanDerWaalsContact OD1-CB 3.23Å; D447-S825 WeakPolarHBondContact OD1-CB 3.35Å; D447-S825 PolarHBondContact OD1-OG 3.23Å; V820-S825 PolarHBondContact O-N 3.31Å; I821-S825 WeakPolarHBondContact O-CB 3.46Å; S825-F827 WeakPolarHBondContact OG-CB 3.2Å; S825-F827 PolarHBondContact OG-N 3.33Å
826	D	86.7	Confident	91.2	Very high	22 Å²	22	35 Å²	35	12%	0.118	17%	0.166	C	C	.	.	S	Bend	trans	-90.9	4.7	170.4	-79.5	-32.8	0	0	0	112.7	D447 V828 P829 R830 K878	D447-D826 PolarHBondContact OD2-N 2.82Å; D826-V828 PolarHBondContact O-N 3.5Å; D826-P829 VanDerWaalsContact O-CD 3.3Å; D826-P829 WeakPolarHBondContact O-CD 3.33Å; D826-R830 WeakPolarHBondContact O-CG 3.46Å; D826-R830 PolarHBondContact O-N 3.39Å; D826-K878 IonicContact OD1-NZ 2.7Å; D826-K878 PolarHBondContact OD1-NZ 3.14Å; D826-K878 IonicContact OD2-NZ 2.73Å; D826-K878 PolarHBondContact OD2-NZ 3.05Å
827	F	89.8	Confident	91	Very high	40 Å²	40	37.4 Å²	37.4	18%	0.175	17%	0.173	C	C	.	.	H	α-helix	trans	-54.3	-52.4	-179.4	176.5	-100.7	0	0	0	113.2	V452 I821 S825 R830 L831 F906	V452-F827 HydrophobicContact CG2-CD1 4.27Å; V452-F827 HydrophobicContact CG2-CD2 4.22Å; V452-F827 HydrophobicContact CG2-CE1 4.23Å; V452-F827 HydrophobicContact CG2-CE2 4.17Å; V452-F827 HydrophobicContact CG2-CG 4.28Å; V452-F827 HydrophobicContact CG2-CZ 4.18Å; I821-F827 HydrophobicContact CG2-CD1 4.08Å; S825-F827 WeakPolarHBondContact OG-CB 3.2Å; S825-F827 PolarHBondContact OG-N 3.33Å; F827-R830 PolarHBondContact O-N 2.97Å; F827-L831 HydrophobicContact CE1-CD2 4.44Å; F827-L831 WeakPolarHBondContact O-CB 3.31Å; F827-L831 PolarHBondContact O-N 2.95Å; F827-F906 HydrophobicContact CE1-CE2 4.13Å
828	V	91.9	Very high	91	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-63.6	-45.9	-178.9	178.5	0	0	0	0	112.2	D826 R830 L831 V832 V902 R903 F906	D826-V828 PolarHBondContact O-N 3.5Å; V828-R830 PolarHBondContact O-N 3.25Å; V828-L831 PolarHBondContact O-N 2.74Å; V828-V832 HydrophobicContact CG1-CG2 4.35Å; V828-V832 WeakPolarHBondContact O-CG2 3.34Å; V828-V832 PolarHBondContact O-N 3.02Å; V828-V902 HydrophobicContact CG1-CB 4.35Å; V828-V902 HydrophobicContact CG1-CG1 3.83Å; V828-R903 HydrophobicContact CB-CG 4.14Å; V828-R903 HydrophobicContact CG1-CG 3.78Å; V828-F906 HydrophobicContact CG2-CB 4.44Å; V828-F906 HydrophobicContact CG2-CD1 4.45Å; V828-F906 HydrophobicContact CG2-CD2 4.46Å; V828-F906 HydrophobicContact CG2-CG 4.19Å
829	P	91.6	Very high	90.7	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.013	21%	0.213	C	C	.	.	H	α-helix	trans	-54	-44.5	169.1	-29.4	34.2	0	0	0	115	D826 V832 Y833 F846 I899	D826-P829 VanDerWaalsContact O-CD 3.3Å; D826-P829 WeakPolarHBondContact O-CD 3.33Å; P829-V832 PolarHBondContact O-N 3.47Å; P829-Y833 WeakPolarHBondContact O-CB 3.44Å; P829-Y833 PolarHBondContact O-N 2.9Å; P829-F846 HydrophobicContact CB-CE2 4.43Å; P829-F846 HydrophobicContact CB-CZ 4.43Å; P829-I899 HydrophobicContact CG-CG2 4.16Å
830	R	90.5	Very high	90.5	Very high	40 Å²	40	45.8 Å²	45.8	15%	0.151	23%	0.229	C	C	.	.	H	α-helix	trans	-61.1	-45.2	177	-69.2	177.2	-158.4	147.6	17	111.1	D447 D826 F827 V828 Y833 Q834 M843 F846	D447-R830 PolarHBondContact O-NH1 3.12Å; D447-R830 IonicContact OD2-CZ 3.03Å; D447-R830 IonicContact OD2-NH1 2.71Å; D447-R830 IonicContact OD2-NH2 2.68Å; D447-R830 PolarHBondContact OD2-NH2 3.46Å; D826-R830 WeakPolarHBondContact O-CG 3.46Å; D826-R830 PolarHBondContact O-N 3.39Å; F827-R830 PolarHBondContact O-N 2.97Å; V828-R830 PolarHBondContact O-N 3.25Å; R830-Y833 PolarHBondContact O-N 3.15Å; R830-Q834 WeakPolarHBondContact O-CB 3.27Å; R830-Q834 PolarHBondContact O-N 3.23Å; R830-M843 HydrophobicContact CB-CE 3.7Å; R830-M843 HydrophobicContact CB-SD 4.36Å; R830-M843 HydrophobicContact CG-CE 3.74Å; R830-F846 HydrophobicContact CB-CE2 4.38Å; R830-F846 HydrophobicContact CB-CZ 4.48Å; R830-F846 HydrophobicContact CG-CE1 3.94Å; R830-F846 HydrophobicContact CG-CE2 3.92Å; R830-F846 HydrophobicContact CG-CZ 3.58Å
831	L	91.3	Very high	90.3	Very high	63 Å²	63	47.4 Å²	47.4	33%	0.33	25%	0.246	S	C	.	.	H	α-helix	trans	-61.3	-46.6	178.5	-165.7	75.1	0	0	0	111.8	F827 V828 Y833 Q834 Y835	F827-L831 HydrophobicContact CE1-CD2 4.44Å; F827-L831 WeakPolarHBondContact O-CB 3.31Å; F827-L831 PolarHBondContact O-N 2.95Å; V828-L831 PolarHBondContact O-N 2.74Å; L831-Y833 PolarHBondContact O-N 2.93Å; L831-Q834 PolarHBondContact O-N 2.94Å; L831-Y835 HydrophobicContact CD1-CD2 3.96Å; L831-Y835 HydrophobicContact CD1-CE2 3.67Å; L831-Y835 HydrophobicContact CG-CD2 4.14Å; L831-Y835 HydrophobicContact CG-CE2 4.33Å; L831-Y835 WeakPolarHBondContact O-CD2 3.41Å; L831-Y835 PolarHBondContact O-N 3.21Å; L831-Y835 VanDerWaalsContact O-N 3.14Å
832	V	93.9	Very high	90.3	Very high	10 Å²	10	49.6 Å²	49.6	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-63.5	-41.4	177.6	171.4	0	0	0	0	111.3	V828 P829 T836 Y837 I899 V902	V828-V832 HydrophobicContact CG1-CG2 4.35Å; V828-V832 WeakPolarHBondContact O-CG2 3.34Å; V828-V832 PolarHBondContact O-N 3.02Å; P829-V832 PolarHBondContact O-N 3.47Å; V832-T836 VanDerWaalsContact O-CB 3.28Å; V832-T836 WeakPolarHBondContact O-CB 3.44Å; V832-T836 PolarHBondContact O-N 3.44Å; V832-T836 PolarHBondContact O-OG1 3.22Å; V832-Y837 HydrophobicContact CG1-CD2 4.19Å; V832-Y837 HydrophobicContact CG1-CE2 3.81Å; V832-I899 HydrophobicContact CB-CG1 4.26Å; V832-I899 HydrophobicContact CG1-CG1 3.85Å; V832-V902 HydrophobicContact CG2-CB 3.88Å; V832-V902 HydrophobicContact CG2-CG1 3.73Å; V832-V902 HydrophobicContact CG2-CG2 3.99Å
833	Y	92.8	Very high	90.1	Very high	21 Å²	21	50.8 Å²	50.8	8%	0.082	27%	0.266	C	S	.	.	I	π-helix	trans	-60.1	-50.3	174.9	-177.4	-106.1	0	0	0	111.6	P829 R830 L831 Y835 Y837 S838 M843 H844 F846 H849	P829-Y833 WeakPolarHBondContact O-CB 3.44Å; P829-Y833 PolarHBondContact O-N 2.9Å; R830-Y833 PolarHBondContact O-N 3.15Å; L831-Y833 PolarHBondContact O-N 2.93Å; Y833-Y835 PolarHBondContact O-N 2.04Å; Y833-Y837 CarbonylContact O-C 3.5Å; Y833-Y837 PolarHBondContact O-N 2.77Å; Y833-S838 PolarHBondContact O-N 2.89Å; Y833-M843 HydrophobicContact CD1-CE 4.3Å; Y833-M843 HydrophobicContact CD1-SD 4.47Å; Y833-H844 PolarHBondContact OH-O 3.36Å; Y833-F846 HydrophobicContact CD1-CB 3.8Å; Y833-F846 AromaticContact CD1-CD2 3.79Å; Y833-F846 HydrophobicContact CD1-CD2 3.79Å; Y833-F846 HydrophobicContact CD1-CG 4.29Å; Y833-F846 HydrophobicContact CD2-CD2 4.47Å; Y833-F846 HydrophobicContact CE1-CB 3.82Å; Y833-F846 HydrophobicContact CG-CB 4.45Å; Y833-F846 AromaticContact CG-CD2 3.72Å; Y833-F846 HydrophobicContact CG-CD2 3.72Å; Y833-H849 HydrophobicContact CD2-CB 4.09Å; Y833-H849 AromaticContact CD2-CD2 3.52Å; Y833-H849 AromaticContact CD2-CG 3.75Å; Y833-H849 AromaticContact CD2-NE2 3.94Å; Y833-H849 HydrophobicContact CE2-CB 3.7Å; Y833-H849 AromaticContact CE2-CD2 3.35Å; Y833-H849 WeakPolarHBondContact CE2-CD2 3.5Å; Y833-H849 AromaticContact CE2-CG 3.67Å
834	Q	92.3	Very high	90.2	Very high	73 Å²	73	54 Å²	54	34%	0.341	28%	0.281	S	S	.	.	I	π-helix	trans	-60.6	-40.2	-176	-163.7	-178.9	7	0	0	113.4	R830 L831 G841 M843	R830-Q834 WeakPolarHBondContact O-CB 3.27Å; R830-Q834 PolarHBondContact O-N 3.23Å; L831-Q834 PolarHBondContact O-N 2.94Å; Q834-G841 WeakPolarHBondContact CG-O 3.31Å; Q834-G841 PolarHBondContact NE2-O 2.96Å; Q834-M843 HydrophobicContact CB-SD 3.97Å; Q834-M843 HydrophobicContact CG-SD 4.29Å
835	Y	92.3	Very high	90.4	Very high	182 Å²	182	54.6 Å²	54.6	71%	0.714	29%	0.29	S	S	*	.	I	π-helix	trans	-93	-19	-175.4	-78	-79	0	0	0	115.3	L831 Y833	L831-Y835 HydrophobicContact CD1-CD2 3.96Å; L831-Y835 HydrophobicContact CD1-CE2 3.67Å; L831-Y835 HydrophobicContact CG-CD2 4.14Å; L831-Y835 HydrophobicContact CG-CE2 4.33Å; L831-Y835 WeakPolarHBondContact O-CD2 3.41Å; L831-Y835 PolarHBondContact O-N 3.21Å; L831-Y835 VanDerWaalsContact O-N 3.14Å; Y833-Y835 PolarHBondContact O-N 2.04Å
836	T	91.2	Very high	90.6	Very high	101 Å²	101	54.7 Å²	54.7	62%	0.62	29%	0.289	S	S	*	.	I	π-helix	trans	-121.3	-25.2	-172.5	-52.3	0	0	0	0	114	V832	V832-T836 VanDerWaalsContact O-CB 3.28Å; V832-T836 WeakPolarHBondContact O-CB 3.44Å; V832-T836 PolarHBondContact O-N 3.44Å; V832-T836 PolarHBondContact O-OG1 3.22Å
837	Y	90.1	Very high	90.7	Very high	77 Å²	77	54 Å²	54	30%	0.302	29%	0.286	S	S	.	.	I	π-helix	trans	-126.1	-19.1	-169.4	-64.4	-88.3	0	0	0	114.6	V832 Y833 H849 E895	V832-Y837 HydrophobicContact CG1-CD2 4.19Å; V832-Y837 HydrophobicContact CG1-CE2 3.81Å; Y833-Y837 CarbonylContact O-C 3.5Å; Y833-Y837 PolarHBondContact O-N 2.77Å; Y837-H849 AromaticContact CD1-NE2 3.37Å; Y837-H849 WeakPolarHBondContact CD1-NE2 3.3Å; Y837-H849 AromaticContact CE1-NE2 3.91Å; Y837-H849 AromaticContact CG-NE2 3.47Å; Y837-E895 HydrophobicContact CE1-CG 4.01Å
838	S	91.9	Very high	90.7	Very high	17 Å²	17	56.2 Å²	56.2	12%	0.119	30%	0.299	C	S	.	.			trans	-78.7	128	175.6	-175.4	0	0	0	0	111.1	Y833 G841 T842	Y833-S838 PolarHBondContact O-N 2.89Å; S838-G841 PolarHBondContact OG-N 2.73Å; S838-T842 VanDerWaalsContact CB-O 3.29Å; S838-T842 WeakPolarHBondContact CB-O 3.33Å; S838-T842 PolarHBondContact OG-N 3.45Å; S838-T842 VanDerWaalsContact OG-N 3.13Å; S838-T842 PolarHBondContact OG-O 3.09Å
839	P	87.8	Confident	90.6	Very high	114 Å²	114	58.2 Å²	58.2	74%	0.74	31%	0.309	S	S	*	.	S	Bend	trans	-70.3	-32.9	179.5	28.3	-34	0	0	0	112.6
840	D	89.4	Confident	90.6	Very high	131 Å²	131	58.4 Å²	58.4	70%	0.701	31%	0.31	S	S	*	.	S	Bend	trans	-106.4	3.9	-174.3	-52.8	-55.9	0	0	0	112.9	T842	D840-T842 HydrophobicContact CB-CG2 4.01Å; D840-T842 PolarHBondContact O-N 3.42Å
841	G	86.3	Confident	90.6	Very high	35 Å²	35	56.7 Å²	56.7	36%	0.361	30%	0.304	S	S	.	.	S	Bend	trans	66.8	11.1	-171.3	0	0	0	0	0	114.5	Q834 S838	Q834-G841 WeakPolarHBondContact CG-O 3.31Å; Q834-G841 PolarHBondContact NE2-O 2.96Å; S838-G841 PolarHBondContact OG-N 2.73Å
842	T	91.3	Very high	90.6	Very high	49 Å²	49	54.2 Å²	54.2	30%	0.301	29%	0.291	S	S	.	.	S	Bend	trans	-91.6	169.9	176.6	71.8	0	0	0	0	111.7	S838 D840 H844	S838-T842 VanDerWaalsContact CB-O 3.29Å; S838-T842 WeakPolarHBondContact CB-O 3.33Å; S838-T842 PolarHBondContact OG-N 3.45Å; S838-T842 VanDerWaalsContact OG-N 3.13Å; S838-T842 PolarHBondContact OG-O 3.09Å; D840-T842 HydrophobicContact CB-CG2 4.01Å; D840-T842 PolarHBondContact O-N 3.42Å; T842-H844 VanDerWaalsContact C-N 3.34Å
843	M	88.8	Confident	90.6	Very high	26 Å²	26	57.1 Å²	57.1	13%	0.128	30%	0.302	C	S	.	.	S	Bend	trans	-88.6	5.6	176.8	-72	-58.4	-55.3	0	0	114.2	I406 P407 R830 Y833 Q834 F846	I406-M843 HydrophobicContact CB-CB 4.15Å; I406-M843 HydrophobicContact CD1-CB 4.33Å; I406-M843 HydrophobicContact CG2-CB 4.26Å; P407-M843 HydrophobicContact CG-CB 4.26Å; P407-M843 HydrophobicContact CG-CE 3.92Å; R830-M843 HydrophobicContact CB-CE 3.7Å; R830-M843 HydrophobicContact CB-SD 4.36Å; R830-M843 HydrophobicContact CG-CE 3.74Å; Y833-M843 HydrophobicContact CD1-CE 4.3Å; Y833-M843 HydrophobicContact CD1-SD 4.47Å; Q834-M843 HydrophobicContact CB-SD 3.97Å; Q834-M843 HydrophobicContact CG-SD 4.29Å; M843-F846 HydrophobicContact CE-CB 3.79Å; M843-F846 HydrophobicContact CE-CD1 4.16Å; M843-F846 HydrophobicContact CE-CD2 3.69Å; M843-F846 HydrophobicContact CE-CE2 4.32Å; M843-F846 HydrophobicContact CE-CG 3.59Å; M843-F846 VanDerWaalsContact O-CB 3.3Å; M843-F846 WeakPolarHBondContact O-CB 3.25Å; M843-F846 PolarHBondContact O-N 2.94Å
844	H	91.2	Very high	90.6	Very high	109 Å²	109	56.1 Å²	56.1	51%	0.505	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	136.7	178.7	-73.7	-62.2	0	0	0	111.8	I406 E410 Y833 T842 F846	I406-H844 WeakPolarHBondContact CG2-ND1 3.48Å; E410-H844 WeakPolarHBondContact OE1-CA 3.04Å; E410-H844 IonicContact OE1-ND1 2.89Å; Y833-H844 PolarHBondContact OH-O 3.36Å; T842-H844 VanDerWaalsContact C-N 3.34Å; H844-F846 VanDerWaalsContact C-N 3.32Å
845	G	89.5	Confident	90.6	Very high	26 Å²	26	55.2 Å²	55.2	27%	0.268	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	-6.7	-177.3	0	0	0	0	0	114.6	E410 V847 N848 H849	E410-G845 PolarHBondContact OE1-N 3.01Å; G845-V847 VanDerWaalsContact C-N 3.29Å; G845-V847 PolarHBondContact O-N 3.44Å; G845-N848 WeakPolarHBondContact O-CB 3.39Å; G845-N848 PolarHBondContact O-N 3.41Å; G845-H849 PolarHBondContact O-N 2.91Å
846	F	91.2	Very high	90.5	Very high	9 Å²	9	48.1 Å²	48.1	4%	0.039	27%	0.271	C	S	.	.	H	α-helix	trans	-55.6	-41.8	-177.7	173.9	-102.4	0	0	0	112.8	P407 P829 R830 Y833 M843 H844 N848 H849 T850	P407-F846 HydrophobicContact CB-CD1 3.93Å; P407-F846 HydrophobicContact CB-CE1 4.48Å; P407-F846 HydrophobicContact CG-CD1 3.94Å; P407-F846 HydrophobicContact CG-CG 4.48Å; P829-F846 HydrophobicContact CB-CE2 4.43Å; P829-F846 HydrophobicContact CB-CZ 4.43Å; R830-F846 HydrophobicContact CB-CE2 4.38Å; R830-F846 HydrophobicContact CB-CZ 4.48Å; R830-F846 HydrophobicContact CG-CE1 3.94Å; R830-F846 HydrophobicContact CG-CE2 3.92Å; R830-F846 HydrophobicContact CG-CZ 3.58Å; Y833-F846 HydrophobicContact CD1-CB 3.8Å; Y833-F846 AromaticContact CD1-CD2 3.79Å; Y833-F846 HydrophobicContact CD1-CD2 3.79Å; Y833-F846 HydrophobicContact CD1-CG 4.29Å; Y833-F846 HydrophobicContact CD2-CD2 4.47Å; Y833-F846 HydrophobicContact CE1-CB 3.82Å; Y833-F846 HydrophobicContact CG-CB 4.45Å; Y833-F846 AromaticContact CG-CD2 3.72Å; Y833-F846 HydrophobicContact CG-CD2 3.72Å; M843-F846 HydrophobicContact CE-CB 3.79Å; M843-F846 HydrophobicContact CE-CD1 4.16Å; M843-F846 HydrophobicContact CE-CD2 3.69Å; M843-F846 HydrophobicContact CE-CE2 4.32Å; M843-F846 HydrophobicContact CE-CG 3.59Å; M843-F846 VanDerWaalsContact O-CB 3.3Å; M843-F846 WeakPolarHBondContact O-CB 3.25Å; M843-F846 PolarHBondContact O-N 2.94Å; H844-F846 VanDerWaalsContact C-N 3.32Å; F846-N848 VanDerWaalsContact C-N 3.3Å; F846-N848 PolarHBondContact O-N 2.92Å; F846-H849 PolarHBondContact O-N 3Å; F846-T850 WeakPolarHBondContact CE2-OG1 3.38Å; F846-T850 WeakPolarHBondContact CZ-OG1 3.15Å; F846-T850 VanDerWaalsContact O-CB 3.31Å; F846-T850 WeakPolarHBondContact O-CB 3.28Å; F846-T850 PolarHBondContact O-N 2.98Å; F846-T850 PolarHBondContact O-OG1 3.3Å
847	V	89.8	Confident	90.3	Very high	8 Å²	8	47.5 Å²	47.5	5%	0.048	27%	0.271	C	S	.	.	H	α-helix	trans	-69.1	-32.3	-179.7	178.9	0	0	0	0	111.4	P407 E410 I411 L433 G845 L851	P407-V847 HydrophobicContact CB-CG2 4.37Å; E410-V847 HydrophobicContact CB-CB 4.11Å; E410-V847 HydrophobicContact CB-CG2 3.7Å; E410-V847 WeakPolarHBondContact OE2-CB 3.31Å; E410-V847 WeakPolarHBondContact OE2-CG2 3.29Å; E410-V847 PolarHBondContact OE2-N 2.93Å; I411-V847 HydrophobicContact CD1-CG2 4.32Å; I411-V847 HydrophobicContact CG1-CG1 3.96Å; I411-V847 HydrophobicContact CG1-CG2 3.93Å; L433-V847 HydrophobicContact CD2-CG1 3.77Å; G845-V847 VanDerWaalsContact C-N 3.29Å; G845-V847 PolarHBondContact O-N 3.44Å; V847-L851 HydrophobicContact CG1-CD1 4.28Å; V847-L851 WeakPolarHBondContact O-CD1 3.18Å; V847-L851 WeakPolarHBondContact O-CG 3.29Å
848	N	90.1	Very high	90.2	Very high	86 Å²	86	46.7 Å²	46.7	46%	0.46	27%	0.272	S	S	.	.	H	α-helix	trans	-74.4	-35.6	177.1	-165.4	51.8	0	0	0	112.1	G845 F846 R876	G845-N848 WeakPolarHBondContact O-CB 3.39Å; G845-N848 PolarHBondContact O-N 3.41Å; F846-N848 VanDerWaalsContact C-N 3.3Å; F846-N848 PolarHBondContact O-N 2.92Å; N848-R876 VanDerWaalsContact OD1-CZ 3.24Å; N848-R876 PolarHBondContact OD1-NH1 3.07Å; N848-R876 PolarHBondContact OD1-NH2 2.61Å
849	H	90	Very high	89.9	Confident	44 Å²	44	47 Å²	47	20%	0.204	27%	0.271	C	S	.	.	H	α-helix	trans	-72.6	-33.8	174.3	-177.5	-54	0	0	0	112.7	Y833 Y837 G845 F846 L851 Y880 E895	Y833-H849 HydrophobicContact CD2-CB 4.09Å; Y833-H849 AromaticContact CD2-CD2 3.52Å; Y833-H849 AromaticContact CD2-CG 3.75Å; Y833-H849 AromaticContact CD2-NE2 3.94Å; Y833-H849 HydrophobicContact CE2-CB 3.7Å; Y833-H849 AromaticContact CE2-CD2 3.35Å; Y833-H849 WeakPolarHBondContact CE2-CD2 3.5Å; Y833-H849 AromaticContact CE2-CG 3.67Å; Y837-H849 AromaticContact CD1-NE2 3.37Å; Y837-H849 WeakPolarHBondContact CD1-NE2 3.3Å; Y837-H849 AromaticContact CE1-NE2 3.91Å; Y837-H849 AromaticContact CG-NE2 3.47Å; G845-H849 PolarHBondContact O-N 2.91Å; F846-H849 PolarHBondContact O-N 3Å; H849-L851 PolarHBondContact O-N 2.99Å; H849-Y880 AromaticContact ND1-CE1 3.99Å; H849-E895 VanDerWaalsContact CE1-CD 3.45Å; H849-E895 IonicContact CE1-OE1 3.68Å; H849-E895 IonicContact CE1-OE2 3.23Å; H849-E895 PolarHBondContact CE1-OE2 3.14Å; H849-E895 IonicContact ND1-OE2 2.88Å; H849-E895 IonicContact NE2-OE1 3.83Å; H849-E895 IonicContact NE2-OE2 2.77Å
850	T	90.2	Very high	89.7	Confident	5 Å²	5	46 Å²	46	3%	0.031	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	3.7	-176.4	-55.5	0	0	0	0	113.6	F846 K878	F846-T850 WeakPolarHBondContact CE2-OG1 3.38Å; F846-T850 WeakPolarHBondContact CZ-OG1 3.15Å; F846-T850 VanDerWaalsContact O-CB 3.31Å; F846-T850 WeakPolarHBondContact O-CB 3.28Å; F846-T850 PolarHBondContact O-N 2.98Å; F846-T850 PolarHBondContact O-OG1 3.3Å; T850-K878 HydrophobicContact CG2-CG 4.13Å
851	L	91.1	Very high	89.3	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.026	27%	0.265	C	S	.	.			trans	-125.6	104.6	-171.6	-74.8	178.5	0	0	0	113.5	I418 M420 L433 V847 H849 R876 K878	I418-L851 HydrophobicContact CG2-CD1 4.2Å; M420-L851 HydrophobicContact CE-CD2 3.83Å; M420-L851 HydrophobicContact SD-CD1 4.18Å; M420-L851 HydrophobicContact SD-CD2 4.11Å; L433-L851 HydrophobicContact CD2-CD1 4.36Å; V847-L851 HydrophobicContact CG1-CD1 4.28Å; V847-L851 WeakPolarHBondContact O-CD1 3.18Å; V847-L851 WeakPolarHBondContact O-CG 3.29Å; H849-L851 PolarHBondContact O-N 2.99Å; L851-R876 HydrophobicContact CB-CB 4.29Å; L851-K878 HydrophobicContact CD2-CB 4.24Å
852	S	92.2	Very high	88.8	Confident	10 Å²	10	48.5 Å²	48.5	7%	0.07	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	148.9	169.9	-77.6	0	0	0	0	113.1	R876 Y877 D879 R881	S852-R876 VanDerWaalsContact O-CA 3.29Å; S852-R876 WeakPolarHBondContact O-CA 3.29Å; S852-Y877 PolarHBondContact N-O 3.43Å; S852-Y877 WeakPolarHBondContact O-CD1 3.03Å; S852-Y877 PolarHBondContact O-N 3.12Å; S852-Y877 VanDerWaalsContact O-N 3.09Å; S852-D879 PolarHBondContact OG-O 3.35Å; S852-R881 WeakPolarHBondContact OG-CA 3.49Å; S852-R881 PolarHBondContact OG-N 3.36Å; S852-R881 PolarHBondContact OG-O 3.2Å
853	Y	93.1	Very high	88.3	Confident	72 Å²	72	46.8 Å²	46.8	28%	0.282	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	142.9	175.4	-63	-95.2	0	0	0	111.6	V874 R876 P883 W885	Y853-V874 HydrophobicContact CD1-CG1 3.97Å; Y853-R876 HydrophobicContact CD1-CG 4.37Å; Y853-R876 PolarHBondContact OH-NH2 2.03Å; Y853-P883 HydrophobicContact CD2-CB 4.47Å; Y853-W885 AromaticContact CD1-CH2 3.91Å; Y853-W885 HydrophobicContact CD1-CH2 3.91Å; Y853-W885 HydrophobicContact CD1-CZ3 4.36Å; Y853-W885 AromaticContact CD2-CH2 3.7Å; Y853-W885 HydrophobicContact CD2-CH2 3.7Å; Y853-W885 HydrophobicContact CD2-CZ2 4.29Å; Y853-W885 HydrophobicContact CE1-CH2 4.15Å; Y853-W885 AromaticContact CE2-CH2 3.97Å; Y853-W885 HydrophobicContact CE2-CH2 3.97Å; Y853-W885 HydrophobicContact CE2-CZ2 4.37Å; Y853-W885 AromaticContact CG-CH2 3.66Å; Y853-W885 HydrophobicContact CG-CH2 3.66Å; Y853-W885 HydrophobicContact CG-CZ3 4.17Å
854	F	92.9	Very high	87.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	129.8	173	-174.2	-109.5	0	0	0	111.5	P653 D858 F859 V874 C875 Y877 Y890	P653-F854 VanDerWaalsContact C-CE2 3.47Å; P653-F854 HydrophobicContact CB-CB 4.45Å; P653-F854 HydrophobicContact CB-CD1 3.66Å; P653-F854 HydrophobicContact CB-CD2 3.66Å; P653-F854 HydrophobicContact CB-CE1 3.68Å; P653-F854 HydrophobicContact CB-CE2 3.69Å; P653-F854 HydrophobicContact CB-CG 3.64Å; P653-F854 HydrophobicContact CB-CZ 3.68Å; P653-F854 HydrophobicContact CG-CG 4.34Å; P653-F854 VanDerWaalsContact O-CE2 3.24Å; P653-F854 WeakPolarHBondContact O-CE2 3.32Å; F854-D858 HydrophobicContact CE2-CB 3.95Å; F854-D858 HydrophobicContact CZ-CB 3.77Å; F854-F859 HydrophobicContact CD1-CE1 4.39Å; F854-F859 HydrophobicContact CD1-CE2 4.2Å; F854-F859 AromaticContact CD1-CZ 3.98Å; F854-F859 HydrophobicContact CD1-CZ 3.98Å; F854-F859 AromaticContact CE1-CD1 3.9Å; F854-F859 HydrophobicContact CE1-CD1 3.9Å; F854-F859 AromaticContact CE1-CD2 3.92Å; F854-F859 HydrophobicContact CE1-CD2 3.92Å; F854-F859 AromaticContact CE1-CE1 3.7Å; F854-F859 HydrophobicContact CE1-CE1 3.7Å; F854-F859 AromaticContact CE1-CE2 3.73Å; F854-F859 HydrophobicContact CE1-CE2 3.73Å; F854-F859 AromaticContact CE1-CG 3.99Å; F854-F859 HydrophobicContact CE1-CG 3.99Å; F854-F859 AromaticContact CE1-CZ 3.6Å; F854-F859 HydrophobicContact CE1-CZ 3.6Å; F854-F859 HydrophobicContact CZ-CD1 4.34Å; F854-F859 HydrophobicContact CZ-CE1 4.42Å; F854-V874 VanDerWaalsContact O-CA 3.31Å; F854-V874 WeakPolarHBondContact O-CA 3.26Å; F854-V874 WeakPolarHBondContact O-CG1 3.41Å; F854-C875 PolarHBondContact N-O 3.25Å; F854-C875 PolarHBondContact O-N 3.34Å; F854-Y877 HydrophobicContact CB-CD1 3.94Å; F854-Y877 HydrophobicContact CB-CE1 3.76Å; F854-Y890 HydrophobicContact CD2-CD1 4.28Å; F854-Y890 AromaticContact CD2-CE1 3.59Å; F854-Y890 HydrophobicContact CD2-CE1 3.59Å; F854-Y890 AromaticContact CD2-CZ 3.73Å; F854-Y890 HydrophobicContact CE2-CE1 4.2Å; F854-Y890 HydrophobicContact CE2-CE2 4.44Å; F854-Y890 AromaticContact CE2-CZ 3.93Å
855	N	92.9	Very high	87.4	Confident	53 Å²	53	46.5 Å²	46.5	28%	0.283	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	128.5	176	-174.5	16.8	0	0	0	110.2	S857 D858 K873 P884 Y890	N855-S857 VanDerWaalsContact CG-OG 3.24Å; N855-S857 PolarHBondContact ND2-OG 3.23Å; N855-S857 PolarHBondContact O-N 3.26Å; N855-S857 PolarHBondContact OD1-OG 3.39Å; N855-D858 PolarHBondContact ND2-OD1 2.92Å; N855-D858 WeakPolarHBondContact O-CB 3.45Å; N855-D858 PolarHBondContact O-N 3.02Å; N855-D858 VanDerWaalsContact O-N 3.13Å; N855-K873 PolarHBondContact OD1-O 3.4Å; N855-P884 HydrophobicContact CB-CB 4.26Å; N855-P884 HydrophobicContact CB-CG 4.38Å; N855-Y890 WeakPolarHBondContact CB-OH 3.31Å; N855-Y890 PolarHBondContact N-OH 3.15Å; N855-Y890 VanDerWaalsContact N-OH 3.16Å
856	V	88.7	Confident	86.7	Confident	34 Å²	34	51.2 Å²	51.2	21%	0.206	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-69.8	-19.7	-171.2	168.6	0	0	0	0	113	Y430 D858 F859 V872 K873	Y430-V856 HydrophobicContact CE1-CG2 4.31Å; Y430-V856 WeakPolarHBondContact OH-CG1 3.37Å; V856-D858 PolarHBondContact O-N 2.88Å; V856-F859 HydrophobicContact CG1-CD2 4.3Å; V856-F859 HydrophobicContact CG1-CE2 4.33Å; V856-F859 HydrophobicContact CG2-CE2 4.43Å; V856-F859 WeakPolarHBondContact O-CD2 3.43Å; V856-V872 WeakPolarHBondContact CG2-O 3.31Å; V856-K873 WeakPolarHBondContact CB-O 3.11Å; V856-K873 WeakPolarHBondContact CG2-O 3.42Å; V856-K873 PolarHBondContact N-O 3.07Å
857	S	87.1	Confident	85.6	Confident	88 Å²	88	54.8 Å²	54.8	62%	0.615	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-64.8	-16.3	172	51.3	0	0	0	0	114.4	N855	N855-S857 VanDerWaalsContact CG-OG 3.24Å; N855-S857 PolarHBondContact ND2-OG 3.23Å; N855-S857 PolarHBondContact O-N 3.26Å; N855-S857 PolarHBondContact OD1-OG 3.39Å
858	D	88.2	Confident	84.6	Confident	59 Å²	59	58 Å²	58	32%	0.316	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-99	13.2	-165.6	-53.6	5	0	0	0	112.2	G654 F854 N855 V856 Y890	G654-D858 VanDerWaalsContact CA-O 3.3Å; G654-D858 WeakPolarHBondContact CA-O 3.15Å; F854-D858 HydrophobicContact CE2-CB 3.95Å; F854-D858 HydrophobicContact CZ-CB 3.77Å; N855-D858 PolarHBondContact ND2-OD1 2.92Å; N855-D858 WeakPolarHBondContact O-CB 3.45Å; N855-D858 PolarHBondContact O-N 3.02Å; N855-D858 VanDerWaalsContact O-N 3.13Å; V856-D858 PolarHBondContact O-N 2.88Å; D858-Y890 VanDerWaalsContact OD2-CE2 3.27Å; D858-Y890 WeakPolarHBondContact OD2-CE2 3.15Å; D858-Y890 PolarHBondContact OD2-OH 3.37Å
859	F	86.9	Confident	83.5	Confident	24 Å²	24	58.6 Å²	58.6	11%	0.105	33%	0.331	C	S	.	.	S	Bend	trans	-70.2	154.8	169.9	-79.4	-62.8	0	0	0	111.6	P422 P653 F854 V856	P422-F859 HydrophobicContact CG-CZ 4.33Å; P653-F859 HydrophobicContact CB-CE1 4.22Å; F854-F859 HydrophobicContact CD1-CE1 4.39Å; F854-F859 HydrophobicContact CD1-CE2 4.2Å; F854-F859 AromaticContact CD1-CZ 3.98Å; F854-F859 HydrophobicContact CD1-CZ 3.98Å; F854-F859 AromaticContact CE1-CD1 3.9Å; F854-F859 HydrophobicContact CE1-CD1 3.9Å; F854-F859 AromaticContact CE1-CD2 3.92Å; F854-F859 HydrophobicContact CE1-CD2 3.92Å; F854-F859 AromaticContact CE1-CE1 3.7Å; F854-F859 HydrophobicContact CE1-CE1 3.7Å; F854-F859 AromaticContact CE1-CE2 3.73Å; F854-F859 HydrophobicContact CE1-CE2 3.73Å; F854-F859 AromaticContact CE1-CG 3.99Å; F854-F859 HydrophobicContact CE1-CG 3.99Å; F854-F859 AromaticContact CE1-CZ 3.6Å; F854-F859 HydrophobicContact CE1-CZ 3.6Å; F854-F859 HydrophobicContact CZ-CD1 4.34Å; F854-F859 HydrophobicContact CZ-CE1 4.42Å; V856-F859 HydrophobicContact CG1-CD2 4.3Å; V856-F859 HydrophobicContact CG1-CE2 4.33Å; V856-F859 HydrophobicContact CG2-CE2 4.43Å; V856-F859 WeakPolarHBondContact O-CD2 3.43Å
860	Q	84	Confident	82.9	Confident	92 Å²	92	63 Å²	63	43%	0.43	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-82.9	140.4	171.3	-61.4	-176.5	6.8	0	0	109.5	G654 G862 T863	G654-Q860 WeakPolarHBondContact O-CG 3.43Å; G654-Q860 PolarHBondContact O-NE2 3.03Å; Q860-G862 PolarHBondContact O-N 2.7Å; Q860-T863 HydrophobicContact CB-CG2 4.12Å; Q860-T863 PolarHBondContact N-OG1 3.49Å; Q860-T863 WeakPolarHBondContact O-CB 3.43Å; Q860-T863 PolarHBondContact O-N 3.21Å; Q860-T863 PolarHBondContact O-OG1 3.26Å
861	N	80.2	Confident	82.4	Confident	165 Å²	165	70.5 Å²	70.5	88%	0.882	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.4	127.2	-179.6	-63.6	11.3	0	0	0	111.4	T863	N861-T863 VanDerWaalsContact C-N 3.34Å
862	G	76.5	Confident	82.1	Confident	54 Å²	54	71.1 Å²	71.1	56%	0.557	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-7.7	-177.7	0	0	0	0	0	116.1	Q860	Q860-G862 PolarHBondContact O-N 2.7Å
863	T	80.6	Confident	81.8	Confident	14 Å²	14	79 Å²	79	9%	0.086	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-15.6	170.6	66.2	0	0	0	0	113.4	Q860 N861	Q860-T863 HydrophobicContact CB-CG2 4.12Å; Q860-T863 PolarHBondContact N-OG1 3.49Å; Q860-T863 WeakPolarHBondContact O-CB 3.43Å; Q860-T863 PolarHBondContact O-N 3.21Å; Q860-T863 PolarHBondContact O-OG1 3.26Å; N861-T863 VanDerWaalsContact C-N 3.34Å
864	E	80.4	Confident	81.7	Confident	117 Å²	117	78.2 Å²	78.2	55%	0.547	43%	0.429	S	S	.	.	S	Bend	trans	-64.2	152.8	180	69.6	-171.4	139.5	0	0	113.6	S426	S426-E864 WeakPolarHBondContact CA-O 3.07Å
865	P	79.8	Confident	81.6	Confident	12 Å²	12	78.2 Å²	78.2	8%	0.078	43%	0.429	C	S	.	.			trans	-78.3	124.6	-174	31.4	-35.8	0	0	0	113.1	P422 C428 Y430 P868	P422-P865 HydrophobicContact CG-CB 4.46Å; C428-P865 WeakPolarHBondContact O-CB 3.41Å; Y430-P865 HydrophobicContact CD2-CG 4.29Å; Y430-P865 HydrophobicContact CE1-CG 4.38Å; Y430-P865 HydrophobicContact CE2-CG 3.6Å; P865-P868 WeakPolarHBondContact O-CD 3.05Å
866	N	75.8	Confident	81.6	Confident	124 Å²	124	77.1 Å²	77.1	66%	0.663	42%	0.421	S	S	*	.	S	Bend	trans	-131.8	117.4	-178.4	-173.2	2.1	0	0	0	112	S426	S426-N866 PolarHBondContact O-N 2.95Å
867	P	67.3	Low	81.6	Confident	84 Å²	84	76.6 Å²	76.6	55%	0.545	42%	0.415	S	S	.	.	S	Bend	cis	-77.4	149.5	-6.6	32.1	-35.3	0	0	0	112.3
868	P	68.9	Low	81.6	Confident	76 Å²	76	76.1 Å²	76.1	49%	0.494	40%	0.402	S	S	.	.			trans	-79.1	118.7	171.4	30.8	-32.3	0	0	0	110.9	P865 F870	P865-P868 WeakPolarHBondContact O-CD 3.05Å; P868-F870 PolarHBondContact O-N 3.48Å
869	N	67.5	Low	81.6	Confident	99 Å²	99	74.8 Å²	74.8	53%	0.529	40%	0.395	S	S	.	.	S	Bend	trans	-61.5	-26.7	178	-71.6	8.1	0	0	0	113.9	S429	S429-N869 PolarHBondContact OG-ND2 2.88Å
870	F	76.3	Confident	81.7	Confident	135 Å²	135	74.7 Å²	74.7	59%	0.592	39%	0.394	S	S	*	.	S	Bend	trans	-146.8	148.5	-178.2	-55.4	-74	0	0	0	109.7	P868 V872	P868-F870 PolarHBondContact O-N 3.48Å; F870-V872 HydrophobicContact CB-CG2 4.19Å; F870-V872 PolarHBondContact O-N 2.91Å
871	N	79.8	Confident	82.1	Confident	164 Å²	164	72.7 Å²	72.7	88%	0.877	38%	0.383	S	S	*	.			trans	-79.5	114.3	173.3	-170.8	-8.7	0	0	0	109.8
872	V	83.9	Confident	82.7	Confident	18 Å²	18	67.5 Å²	67.5	11%	0.109	35%	0.353	C	S	.	.			trans	-130.3	123.2	-171.1	176.7	0	0	0	0	109	T419 Y430 V856 F870 V874	T419-V872 HydrophobicContact CG2-CG1 4.43Å; T419-V872 HydrophobicContact CG2-CG2 4.15Å; Y430-V872 HydrophobicContact CD2-CB 4.12Å; Y430-V872 HydrophobicContact CD2-CG2 3.99Å; Y430-V872 HydrophobicContact CE2-CB 4.12Å; Y430-V872 HydrophobicContact CE2-CG2 4.46Å; Y430-V872 HydrophobicContact CG-CB 4.5Å; Y430-V872 HydrophobicContact CG-CG2 4.28Å; V856-V872 WeakPolarHBondContact CG2-O 3.31Å; F870-V872 HydrophobicContact CB-CG2 4.19Å; F870-V872 PolarHBondContact O-N 2.91Å; V872-V874 WeakPolarHBondContact CG1-O 3.4Å
873	K	87.3	Confident	83.5	Confident	176 Å²	176	66.2 Å²	66.2	77%	0.765	34%	0.335	S	S	*	.	S	Bend	trans	-82.6	-34.1	177.3	-64	-173.8	178.4	-176	0	113.2	N855 V856	N855-K873 PolarHBondContact OD1-O 3.4Å; V856-K873 WeakPolarHBondContact CB-O 3.11Å; V856-K873 WeakPolarHBondContact CG2-O 3.42Å; V856-K873 PolarHBondContact N-O 3.07Å
874	V	90.8	Very high	84.1	Confident	54 Å²	54	67.1 Å²	67.1	33%	0.327	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	132.4	-175.3	179.8	0	0	0	0	108.8	T419 Y853 F854 V872	T419-V874 PolarHBondContact OG1-O 3.35Å; Y853-V874 HydrophobicContact CD1-CG1 3.97Å; F854-V874 VanDerWaalsContact O-CA 3.31Å; F854-V874 WeakPolarHBondContact O-CA 3.26Å; F854-V874 WeakPolarHBondContact O-CG1 3.41Å; V872-V874 WeakPolarHBondContact CG1-O 3.4Å
875	C	91.1	Very high	84.6	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	159.4	171.6	68.2	0	0	0	0	110.5	T419 C421 Y430 F854	T419-C875 CarbonylContact O-C 2.98Å; T419-C875 WeakPolarHBondContact O-CA 3.49Å; C421-C875 VanDerWaalsContact CA-SG 3.5Å; C421-C875 HydrophobicContact CB-CB 4.01Å; C421-C875 WeakPolarHBondContact CB-SG 3.47Å; C421-C875 WeakPolarHBondContact SG-CB 3.35Å; C421-C875 CovalentContact SG-SG 2.04Å; C421-C875 PolarHBondContact SG-SG 2.96Å; Y430-C875 HydrophobicContact CD1-CB 4.18Å; Y430-C875 HydrophobicContact CE1-CB 4.08Å; F854-C875 PolarHBondContact N-O 3.25Å; F854-C875 PolarHBondContact O-N 3.34Å
876	R	91.8	Very high	85.2	Confident	31 Å²	31	70.6 Å²	70.6	12%	0.117	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	155.7	177.4	-66	-161.5	-174.3	167.1	-8	113	I418 T419 M420 C421 N848 L851 S852 Y853	I418-R876 HydrophobicContact CG2-CB 4.3Å; I418-R876 HydrophobicContact CG2-CG 4.34Å; T419-R876 PolarHBondContact O-N 2.9Å; M420-R876 WeakPolarHBondContact CA-O 3.24Å; M420-R876 WeakPolarHBondContact CE-O 3.48Å; M420-R876 HydrophobicContact SD-CB 4Å; C421-R876 PolarHBondContact N-O 2.92Å; C421-R876 PolarHBondContact SG-O 3.35Å; C421-R876 VanDerWaalsContact SG-O 3.35Å; N848-R876 VanDerWaalsContact OD1-CZ 3.24Å; N848-R876 PolarHBondContact OD1-NH1 3.07Å; N848-R876 PolarHBondContact OD1-NH2 2.61Å; L851-R876 HydrophobicContact CB-CB 4.29Å; S852-R876 VanDerWaalsContact O-CA 3.29Å; S852-R876 WeakPolarHBondContact O-CA 3.29Å; Y853-R876 HydrophobicContact CD1-CG 4.37Å; Y853-R876 PolarHBondContact OH-NH2 2.03Å
877	Y	89.8	Confident	85.9	Confident	22 Å²	22	72.8 Å²	72.8	9%	0.086	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	153.6	178.5	64.9	-70.7	0	0	0	111.2	R652 P653 S852 F854 D879 R881	R652-Y877 HydrophobicContact CB-CE2 4.49Å; P653-Y877 HydrophobicContact CG-CD1 4.1Å; P653-Y877 HydrophobicContact CG-CD2 4.12Å; P653-Y877 HydrophobicContact CG-CE1 4.41Å; P653-Y877 HydrophobicContact CG-CE2 4.39Å; P653-Y877 HydrophobicContact CG-CG 3.96Å; S852-Y877 PolarHBondContact N-O 3.43Å; S852-Y877 WeakPolarHBondContact O-CD1 3.03Å; S852-Y877 PolarHBondContact O-N 3.12Å; S852-Y877 VanDerWaalsContact O-N 3.09Å; F854-Y877 HydrophobicContact CB-CD1 3.94Å; F854-Y877 HydrophobicContact CB-CE1 3.76Å; Y877-D879 HydrophobicContact CD2-CB 3.91Å; Y877-D879 HydrophobicContact CE2-CB 3.75Å; Y877-D879 PolarHBondContact O-N 3.05Å; Y877-R881 VanDerWaalsContact OH-CD 3.25Å; Y877-R881 WeakPolarHBondContact OH-CD 3.28Å
878	K	86.6	Confident	87.1	Confident	79 Å²	79	71.9 Å²	71.9	34%	0.343	36%	0.357	S	S	.	.	S	Bend	trans	-87	84.6	-177.3	-169.8	-178.6	-175.1	-175.9	0	111.1	H670 D826 T850 L851	H670-K878 PolarHBondContact O-NZ 2.96Å; D826-K878 IonicContact OD1-NZ 2.7Å; D826-K878 PolarHBondContact OD1-NZ 3.14Å; D826-K878 IonicContact OD2-NZ 2.73Å; D826-K878 PolarHBondContact OD2-NZ 3.05Å; T850-K878 HydrophobicContact CG2-CG 4.13Å; L851-K878 HydrophobicContact CD2-CB 4.24Å
879	D	87.9	Confident	88.1	Confident	31 Å²	31	71 Å²	71	17%	0.166	35%	0.352	C	S	.	.	S	Bend	trans	-148.8	169.5	166.7	-160.1	-2.2	0	0	0	108.5	S852 Y877 R881	S852-D879 PolarHBondContact OG-O 3.35Å; Y877-D879 HydrophobicContact CD2-CB 3.91Å; Y877-D879 HydrophobicContact CE2-CB 3.75Å; Y877-D879 PolarHBondContact O-N 3.05Å; D879-R881 IonicContact OD2-CZ 2.95Å; D879-R881 VanDerWaalsContact OD2-CZ 3.23Å; D879-R881 IonicContact OD2-NE 2.93Å; D879-R881 PolarHBondContact OD2-NE 3.04Å; D879-R881 IonicContact OD2-NH2 3.97Å; D879-R881 PolarHBondContact OD2-NH2 2.96Å
880	Y	90.4	Very high	89.1	Confident	21 Å²	21	67 Å²	67	8%	0.082	33%	0.329	C	S	.	.			trans	-108.5	83.1	179.2	-71.1	-86.4	0	0	0	110.6	H849 S893 E895 I899	H849-Y880 AromaticContact ND1-CE1 3.99Å; Y880-S893 PolarHBondContact O-N 3.21Å; Y880-E895 HydrophobicContact CD1-CB 3.98Å; Y880-I899 HydrophobicContact CD1-CD1 4Å; Y880-I899 HydrophobicContact CD2-CD1 4.31Å; Y880-I899 HydrophobicContact CE1-CD1 3.48Å; Y880-I899 VanDerWaalsContact CE1-CD1 3.48Å; Y880-I899 HydrophobicContact CE2-CD1 3.84Å; Y880-I899 HydrophobicContact CG-CD1 4.38Å
881	R	91.9	Very high	89.8	Confident	50 Å²	50	66.1 Å²	66.1	19%	0.189	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-131.2	148.9	-175.6	-68.4	176.1	-174.3	-71.2	-21.2	113.5	S852 Y877 D879 Y890 E891 L892	S852-R881 WeakPolarHBondContact OG-CA 3.49Å; S852-R881 PolarHBondContact OG-N 3.36Å; S852-R881 PolarHBondContact OG-O 3.2Å; Y877-R881 VanDerWaalsContact OH-CD 3.25Å; Y877-R881 WeakPolarHBondContact OH-CD 3.28Å; D879-R881 IonicContact OD2-CZ 2.95Å; D879-R881 VanDerWaalsContact OD2-CZ 3.23Å; D879-R881 IonicContact OD2-NE 2.93Å; D879-R881 PolarHBondContact OD2-NE 3.04Å; D879-R881 IonicContact OD2-NH2 3.97Å; D879-R881 PolarHBondContact OD2-NH2 2.96Å; R881-Y890 WeakPolarHBondContact CD-O 3.33Å; R881-Y890 PolarHBondContact NH1-O 2.95Å; R881-E891 WeakPolarHBondContact CA-O 3.44Å; R881-E891 VanDerWaalsContact CB-O 3.3Å; R881-E891 WeakPolarHBondContact CB-O 3.49Å; R881-E891 WeakPolarHBondContact CG-O 3.38Å; R881-L892 HydrophobicContact CG-CD2 4.33Å
882	E	93.1	Very high	90.4	Very high	56 Å²	56	61.3 Å²	61.3	26%	0.262	30%	0.301	S	S	.	.			trans	-62.1	139.4	175.7	-64	-59.4	148.4	0	0	111.7	Y890 E891 S893	E882-Y890 PolarHBondContact O-N 3Å; E882-E891 PolarHBondContact N-O 3.04Å; E882-S893 WeakPolarHBondContact OE1-CA 3.4Å; E882-S893 WeakPolarHBondContact OE1-CB 3.2Å; E882-S893 PolarHBondContact OE1-OG 3.09Å
883	P	93.2	Very high	90.7	Very high	27 Å²	27	60.8 Å²	60.8	18%	0.175	30%	0.298	C	S	.	.			trans	-70.7	162.1	-173.7	29.3	-35.7	0	0	0	112.7	Y853 W885 S886	Y853-P883 HydrophobicContact CD2-CB 4.47Å; P883-W885 HydrophobicContact CB-CD2 3.93Å; P883-W885 HydrophobicContact CB-CE3 4.26Å; P883-W885 HydrophobicContact CB-CH2 3.92Å; P883-W885 HydrophobicContact CB-CZ2 3.55Å; P883-W885 HydrophobicContact CB-CZ3 4.26Å; P883-W885 HydrophobicContact CG-CD2 4.38Å; P883-W885 HydrophobicContact CG-CZ2 4.03Å; P883-W885 PolarHBondContact O-N 2.9Å; P883-W885 VanDerWaalsContact O-N 3.09Å; P883-S886 VanDerWaalsContact O-CB 3.3Å; P883-S886 WeakPolarHBondContact O-CB 3.22Å; P883-S886 PolarHBondContact O-N 2.8Å; P883-S886 PolarHBondContact O-OG 2.67Å
884	P	92.1	Very high	90.9	Very high	33 Å²	33	60.9 Å²	60.9	21%	0.214	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.1	-174.8	23.4	-32.5	0	0	0	115.2	N855 Y890	N855-P884 HydrophobicContact CB-CB 4.26Å; N855-P884 HydrophobicContact CB-CG 4.38Å; P884-Y890 HydrophobicContact CB-CE1 3.95Å; P884-Y890 HydrophobicContact CG-CE1 4.42Å
885	W	90.9	Very high	90.9	Very high	173 Å²	173	60.9 Å²	60.9	66%	0.655	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	10.4	174.7	58.4	80.1	0	0	0	113.8	Y853 P883	Y853-W885 AromaticContact CD1-CH2 3.91Å; Y853-W885 HydrophobicContact CD1-CH2 3.91Å; Y853-W885 HydrophobicContact CD1-CZ3 4.36Å; Y853-W885 AromaticContact CD2-CH2 3.7Å; Y853-W885 HydrophobicContact CD2-CH2 3.7Å; Y853-W885 HydrophobicContact CD2-CZ2 4.29Å; Y853-W885 HydrophobicContact CE1-CH2 4.15Å; Y853-W885 AromaticContact CE2-CH2 3.97Å; Y853-W885 HydrophobicContact CE2-CH2 3.97Å; Y853-W885 HydrophobicContact CE2-CZ2 4.37Å; Y853-W885 AromaticContact CG-CH2 3.66Å; Y853-W885 HydrophobicContact CG-CH2 3.66Å; Y853-W885 HydrophobicContact CG-CZ3 4.17Å; P883-W885 HydrophobicContact CB-CD2 3.93Å; P883-W885 HydrophobicContact CB-CE3 4.26Å; P883-W885 HydrophobicContact CB-CH2 3.92Å; P883-W885 HydrophobicContact CB-CZ2 3.55Å; P883-W885 HydrophobicContact CB-CZ3 4.26Å; P883-W885 HydrophobicContact CG-CD2 4.38Å; P883-W885 HydrophobicContact CG-CZ2 4.03Å; P883-W885 PolarHBondContact O-N 2.9Å; P883-W885 VanDerWaalsContact O-N 3.09Å
886	S	93.1	Very high	91	Very high	29 Å²	29	63.6 Å²	63.6	20%	0.203	31%	0.306	C	S	.	.	S	Bend	trans	-84.4	166.6	172.2	68.7	0	0	0	0	111.8	P883 T888	P883-S886 VanDerWaalsContact O-CB 3.3Å; P883-S886 WeakPolarHBondContact O-CB 3.22Å; P883-S886 PolarHBondContact O-N 2.8Å; P883-S886 PolarHBondContact O-OG 2.67Å; S886-T888 PolarHBondContact O-N 2.82Å
887	N	91.1	Very high	91.1	Very high	170 Å²	170	69.3 Å²	69.3	91%	0.909	33%	0.328	S	S	*	.	S	Bend	trans	-68.5	-17	175.4	-64.3	-10.3	0	0	0	113.5
888	T	91	Very high	91.3	Very high	66 Å²	66	70 Å²	70	41%	0.405	34%	0.338	S	S	.	.	S	Bend	trans	-132.8	63.9	-176.1	49.5	0	0	0	0	109.9	S886 Y890 E891	S886-T888 PolarHBondContact O-N 2.82Å; T888-Y890 PolarHBondContact O-N 3.31Å; T888-E891 PolarHBondContact O-N 3.22Å
889	P	89.8	Confident	91.6	Very high	58 Å²	58	66.4 Å²	66.4	38%	0.377	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	132.2	-166.1	26.4	-35.1	0	0	0	112.3	E891	P889-E891 PolarHBondContact O-N 3.15Å
890	Y	89.5	Confident	91.9	Very high	13 Å²	13	67 Å²	67	5%	0.051	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	9.5	179.2	-42.4	-62	0	0	0	116.6	R652 F854 N855 D858 R881 E882 P884 T888	R652-Y890 VanDerWaalsContact CZ-CB 3.48Å; F854-Y890 HydrophobicContact CD2-CD1 4.28Å; F854-Y890 AromaticContact CD2-CE1 3.59Å; F854-Y890 HydrophobicContact CD2-CE1 3.59Å; F854-Y890 AromaticContact CD2-CZ 3.73Å; F854-Y890 HydrophobicContact CE2-CE1 4.2Å; F854-Y890 HydrophobicContact CE2-CE2 4.44Å; F854-Y890 AromaticContact CE2-CZ 3.93Å; N855-Y890 WeakPolarHBondContact CB-OH 3.31Å; N855-Y890 PolarHBondContact N-OH 3.15Å; N855-Y890 VanDerWaalsContact N-OH 3.16Å; D858-Y890 VanDerWaalsContact OD2-CE2 3.27Å; D858-Y890 WeakPolarHBondContact OD2-CE2 3.15Å; D858-Y890 PolarHBondContact OD2-OH 3.37Å; R881-Y890 WeakPolarHBondContact CD-O 3.33Å; R881-Y890 PolarHBondContact NH1-O 2.95Å; E882-Y890 PolarHBondContact O-N 3Å; P884-Y890 HydrophobicContact CB-CE1 3.95Å; P884-Y890 HydrophobicContact CG-CE1 4.42Å; T888-Y890 PolarHBondContact O-N 3.31Å
891	E	91.5	Very high	92.1	Very high	118 Å²	118	68.8 Å²	68.8	55%	0.551	35%	0.345	S	S	*	.	S	Bend	trans	-72.3	163.1	168.1	-60	-152.5	136.7	0	0	111.3	R881 E882 T888 P889 S893	R881-E891 WeakPolarHBondContact CA-O 3.44Å; R881-E891 VanDerWaalsContact CB-O 3.3Å; R881-E891 WeakPolarHBondContact CB-O 3.49Å; R881-E891 WeakPolarHBondContact CG-O 3.38Å; E882-E891 PolarHBondContact N-O 3.04Å; T888-E891 PolarHBondContact O-N 3.22Å; P889-E891 PolarHBondContact O-N 3.15Å; E891-S893 PolarHBondContact O-N 3.21Å
892	L	91.5	Very high	92.3	Very high	62 Å²	62	69.3 Å²	69.3	33%	0.325	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-70.8	122.7	179.9	-70	172	0	0	0	109.9	R881 F896 W897	R881-L892 HydrophobicContact CG-CD2 4.33Å; L892-F896 HydrophobicContact CB-CB 4.44Å; L892-F896 HydrophobicContact CB-CD1 4.33Å; L892-F896 HydrophobicContact CB-CG 4.42Å; L892-F896 HydrophobicContact CD1-CD1 4.04Å; L892-F896 HydrophobicContact CD1-CE1 3.93Å; L892-F896 HydrophobicContact CD1-CZ 4.39Å; L892-F896 HydrophobicContact CD2-CD1 4.19Å; L892-F896 HydrophobicContact CD2-CD2 3.9Å; L892-F896 HydrophobicContact CD2-CE1 4.41Å; L892-F896 HydrophobicContact CD2-CE2 4.12Å; L892-F896 HydrophobicContact CD2-CG 3.93Å; L892-F896 HydrophobicContact CD2-CZ 4.37Å; L892-F896 HydrophobicContact CG-CD1 4.42Å; L892-W897 HydrophobicContact CD1-CZ2 4.22Å
893	S	91.5	Very high	92.4	Very high	7 Å²	7	67.9 Å²	67.9	5%	0.049	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-69.2	162.5	-177.8	-173.8	0	0	0	0	112.2	Y880 E882 E891 E895 F896	Y880-S893 PolarHBondContact O-N 3.21Å; E882-S893 WeakPolarHBondContact OE1-CA 3.4Å; E882-S893 WeakPolarHBondContact OE1-CB 3.2Å; E882-S893 PolarHBondContact OE1-OG 3.09Å; E891-S893 PolarHBondContact O-N 3.21Å; S893-E895 PolarHBondContact O-N 3.08Å; S893-F896 WeakPolarHBondContact O-CB 3.47Å; S893-F896 PolarHBondContact O-N 3.48Å; S893-F896 VanDerWaalsContact O-N 3.07Å
894	K	91.2	Very high	92.5	Very high	179 Å²	179	70.6 Å²	70.6	78%	0.778	36%	0.358	S	S	*	.	H	α-helix	trans	-54.3	-34	169.3	-64.7	175.2	-177.2	172.4	0	111.8	F896 W897 A898	K894-F896 VanDerWaalsContact C-N 3.34Å; K894-F896 PolarHBondContact O-N 3.06Å; K894-W897 PolarHBondContact O-N 2.74Å; K894-A898 PolarHBondContact O-N 3.09Å
895	E	90.9	Very high	92.6	Very high	54 Å²	54	71.4 Å²	71.4	25%	0.252	37%	0.368	S	S	.	.	H	α-helix	trans	-58.3	-41.7	175.9	-61.7	172.7	-166.2	0	0	112.5	Y837 H849 Y880 S893 W897 A898 I899	Y837-E895 HydrophobicContact CE1-CG 4.01Å; H849-E895 VanDerWaalsContact CE1-CD 3.45Å; H849-E895 IonicContact CE1-OE1 3.68Å; H849-E895 IonicContact CE1-OE2 3.23Å; H849-E895 PolarHBondContact CE1-OE2 3.14Å; H849-E895 IonicContact ND1-OE2 2.88Å; H849-E895 IonicContact NE2-OE1 3.83Å; H849-E895 IonicContact NE2-OE2 2.77Å; Y880-E895 HydrophobicContact CD1-CB 3.98Å; S893-E895 PolarHBondContact O-N 3.08Å; E895-W897 VanDerWaalsContact C-N 3.33Å; E895-W897 PolarHBondContact O-N 3.35Å; E895-A898 PolarHBondContact O-N 2.92Å; E895-I899 WeakPolarHBondContact O-CB 3.32Å; E895-I899 VanDerWaalsContact O-CG1 3.32Å; E895-I899 WeakPolarHBondContact O-CG1 3.4Å; E895-I899 PolarHBondContact O-N 2.7Å
896	F	92.2	Very high	92.8	Very high	56 Å²	56	65.1 Å²	65.1	25%	0.246	35%	0.346	C	S	.	.	H	α-helix	trans	-57.8	-47.6	177.3	178.3	-92.2	0	0	0	111.1	L892 S893 K894 L900	L892-F896 HydrophobicContact CB-CB 4.44Å; L892-F896 HydrophobicContact CB-CD1 4.33Å; L892-F896 HydrophobicContact CB-CG 4.42Å; L892-F896 HydrophobicContact CD1-CD1 4.04Å; L892-F896 HydrophobicContact CD1-CE1 3.93Å; L892-F896 HydrophobicContact CD1-CZ 4.39Å; L892-F896 HydrophobicContact CD2-CD1 4.19Å; L892-F896 HydrophobicContact CD2-CD2 3.9Å; L892-F896 HydrophobicContact CD2-CE1 4.41Å; L892-F896 HydrophobicContact CD2-CE2 4.12Å; L892-F896 HydrophobicContact CD2-CG 3.93Å; L892-F896 HydrophobicContact CD2-CZ 4.37Å; L892-F896 HydrophobicContact CG-CD1 4.42Å; S893-F896 WeakPolarHBondContact O-CB 3.47Å; S893-F896 PolarHBondContact O-N 3.48Å; S893-F896 VanDerWaalsContact O-N 3.07Å; K894-F896 VanDerWaalsContact C-N 3.34Å; K894-F896 PolarHBondContact O-N 3.06Å; F896-L900 HydrophobicContact CE1-CD2 4.02Å; F896-L900 VanDerWaalsContact O-CB 3.27Å; F896-L900 WeakPolarHBondContact O-CB 3.48Å; F896-L900 PolarHBondContact O-N 3.39Å
897	W	94.1	Very high	93	Very high	151 Å²	151	64.1 Å²	64.1	57%	0.572	34%	0.338	S	S	*	.	H	α-helix	trans	-70.6	-38	-178.2	-66.3	104.5	0	0	0	112.3	L892 K894 E895 L900 A901	L892-W897 HydrophobicContact CD1-CZ2 4.22Å; K894-W897 PolarHBondContact O-N 2.74Å; E895-W897 VanDerWaalsContact C-N 3.33Å; E895-W897 PolarHBondContact O-N 3.35Å; W897-L900 HydrophobicContact CE3-CD2 4.1Å; W897-L900 HydrophobicContact CZ3-CD2 4.05Å; W897-L900 PolarHBondContact O-N 2.7Å; W897-A901 WeakPolarHBondContact O-CB 3.37Å; W897-A901 PolarHBondContact O-N 2.74Å
898	A	93.8	Very high	93.2	Very high	36 Å²	36	61 Å²	61	30%	0.298	32%	0.32	S	S	.	.	H	α-helix	trans	-61.3	-49.9	173	0	0	0	0	0	111.5	K894 E895 L900 A901 V902	K894-A898 PolarHBondContact O-N 3.09Å; E895-A898 PolarHBondContact O-N 2.92Å; A898-L900 VanDerWaalsContact C-N 3.33Å; A898-L900 PolarHBondContact O-N 2.97Å; A898-A901 PolarHBondContact O-N 3.46Å; A898-V902 WeakPolarHBondContact O-CG2 3.48Å; A898-V902 PolarHBondContact O-N 3Å
899	I	93.3	Very high	93.4	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-64.2	-37.8	178.1	-67	168.2	0	0	0	111	P829 V832 Y880 E895 R903	P829-I899 HydrophobicContact CG-CG2 4.16Å; V832-I899 HydrophobicContact CB-CG1 4.26Å; V832-I899 HydrophobicContact CG1-CG1 3.85Å; Y880-I899 HydrophobicContact CD1-CD1 4Å; Y880-I899 HydrophobicContact CD2-CD1 4.31Å; Y880-I899 HydrophobicContact CE1-CD1 3.48Å; Y880-I899 VanDerWaalsContact CE1-CD1 3.48Å; Y880-I899 HydrophobicContact CE2-CD1 3.84Å; Y880-I899 HydrophobicContact CG-CD1 4.38Å; E895-I899 WeakPolarHBondContact O-CB 3.32Å; E895-I899 VanDerWaalsContact O-CG1 3.32Å; E895-I899 WeakPolarHBondContact O-CG1 3.4Å; E895-I899 PolarHBondContact O-N 2.7Å; I899-R903 HydrophobicContact CG2-CG 4.49Å; I899-R903 WeakPolarHBondContact O-CB 3.44Å; I899-R903 VanDerWaalsContact O-CG 3.23Å; I899-R903 WeakPolarHBondContact O-CG 3.3Å; I899-R903 PolarHBondContact O-N 3.3Å
900	L	93.4	Very high	93.7	Very high	44 Å²	44	60.1 Å²	60.1	23%	0.23	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-41.7	175.6	-178.2	59.7	0	0	0	112.2	F823 F896 W897 A898 R903 L904	F823-L900 HydrophobicContact CE1-CD1 4.05Å; F823-L900 HydrophobicContact CZ-CD1 4.39Å; F896-L900 HydrophobicContact CE1-CD2 4.02Å; F896-L900 VanDerWaalsContact O-CB 3.27Å; F896-L900 WeakPolarHBondContact O-CB 3.48Å; F896-L900 PolarHBondContact O-N 3.39Å; W897-L900 HydrophobicContact CE3-CD2 4.1Å; W897-L900 HydrophobicContact CZ3-CD2 4.05Å; W897-L900 PolarHBondContact O-N 2.7Å; A898-L900 VanDerWaalsContact C-N 3.33Å; A898-L900 PolarHBondContact O-N 2.97Å; L900-R903 WeakPolarHBondContact O-CB 3.25Å; L900-R903 PolarHBondContact O-N 2.69Å; L900-L904 HydrophobicContact CD1-CD1 4.5Å; L900-L904 HydrophobicContact CG-CD1 4.44Å; L900-L904 WeakPolarHBondContact O-CG 3.39Å; L900-L904 PolarHBondContact O-N 3.03Å
901	A	95.1	Very high	93.9	Very high	58 Å²	58	62 Å²	62	48%	0.479	32%	0.322	S	S	.	.	H	α-helix	trans	-62.8	-46.2	175.7	0	0	0	0	0	111.6	W897 A898 R903 L904 A905	W897-A901 WeakPolarHBondContact O-CB 3.37Å; W897-A901 PolarHBondContact O-N 2.74Å; A898-A901 PolarHBondContact O-N 3.46Å; A901-R903 VanDerWaalsContact C-N 3.35Å; A901-R903 PolarHBondContact O-N 3Å; A901-L904 PolarHBondContact O-N 3.41Å; A901-A905 WeakPolarHBondContact O-CB 3.17Å; A901-A905 PolarHBondContact O-N 3.12Å
902	V	95.6	Very high	94.1	Very high	62 Å²	62	61.2 Å²	61.2	38%	0.376	32%	0.322	S	S	.	.	H	α-helix	trans	-65.5	-36.6	177.1	179.2	0	0	0	0	111.6	V828 V832 A898 A905 F906	V828-V902 HydrophobicContact CG1-CB 4.35Å; V828-V902 HydrophobicContact CG1-CG1 3.83Å; V832-V902 HydrophobicContact CG2-CB 3.88Å; V832-V902 HydrophobicContact CG2-CG1 3.73Å; V832-V902 HydrophobicContact CG2-CG2 3.99Å; A898-V902 WeakPolarHBondContact O-CG2 3.48Å; A898-V902 PolarHBondContact O-N 3Å; V902-A905 PolarHBondContact O-N 3.22Å; V902-F906 VanDerWaalsContact O-CB 3.31Å; V902-F906 WeakPolarHBondContact O-CB 3.23Å; V902-F906 PolarHBondContact O-N 3.49Å
903	R	94.8	Very high	94.3	Very high	25 Å²	25	62.1 Å²	62.1	9%	0.094	33%	0.325	C	S	.	.	H	α-helix	trans	-58.4	-47.3	172.1	-81	174.6	156.9	141.9	-1.5	112.4	A822 F823 V828 I899 L900 A901 F906 V907	A822-R903 HydrophobicContact CB-CB 4.37Å; A822-R903 HydrophobicContact CB-CG 4.49Å; A822-R903 WeakPolarHBondContact O-CD 3.49Å; A822-R903 WeakPolarHBondContact O-CG 3.43Å; A822-R903 PolarHBondContact O-NE 3.09Å; F823-R903 HydrophobicContact CZ-CB 4.28Å; V828-R903 HydrophobicContact CB-CG 4.14Å; V828-R903 HydrophobicContact CG1-CG 3.78Å; I899-R903 HydrophobicContact CG2-CG 4.49Å; I899-R903 WeakPolarHBondContact O-CB 3.44Å; I899-R903 VanDerWaalsContact O-CG 3.23Å; I899-R903 WeakPolarHBondContact O-CG 3.3Å; I899-R903 PolarHBondContact O-N 3.3Å; L900-R903 WeakPolarHBondContact O-CB 3.25Å; L900-R903 PolarHBondContact O-N 2.69Å; A901-R903 VanDerWaalsContact C-N 3.35Å; A901-R903 PolarHBondContact O-N 3Å; R903-F906 PolarHBondContact O-N 3.02Å; R903-V907 WeakPolarHBondContact O-CG2 3.32Å; R903-V907 PolarHBondContact O-N 3.23Å; R903-V907 VanDerWaalsContact O-N 3.12Å
904	L	95.3	Very high	94.4	Very high	84 Å²	84	61.8 Å²	61.8	44%	0.44	32%	0.323	S	S	.	.	H	α-helix	trans	-68	-41.8	179.2	-67.9	171.5	0	0	0	111.7	F823 L900 A901 F906 V907 I908	F823-L904 HydrophobicContact CZ-CD2 4.05Å; L900-L904 HydrophobicContact CD1-CD1 4.5Å; L900-L904 HydrophobicContact CG-CD1 4.44Å; L900-L904 WeakPolarHBondContact O-CG 3.39Å; L900-L904 PolarHBondContact O-N 3.03Å; A901-L904 PolarHBondContact O-N 3.41Å; L904-F906 PolarHBondContact O-N 3.23Å; L904-V907 PolarHBondContact O-N 2.91Å; L904-I908 WeakPolarHBondContact O-CG1 3.38Å; L904-I908 PolarHBondContact O-N 3.34Å; L904-I908 VanDerWaalsContact O-N 3.13Å
905	A	95.9	Very high	94.5	Very high	51 Å²	51	55.1 Å²	55.1	42%	0.421	30%	0.295	S	S	.	.	H	α-helix	trans	-60.4	-43.1	174	0	0	0	0	0	112	A901 V902 V907 I908 V909	A901-A905 WeakPolarHBondContact O-CB 3.17Å; A901-A905 PolarHBondContact O-N 3.12Å; V902-A905 PolarHBondContact O-N 3.22Å; A905-V907 PolarHBondContact O-N 3.33Å; A905-I908 PolarHBondContact O-N 2.88Å; A905-V909 WeakPolarHBondContact O-CG2 3.49Å; A905-V909 PolarHBondContact O-N 3.28Å
906	F	95.2	Very high	94.7	Very high	41 Å²	41	58.6 Å²	58.6	18%	0.18	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-46.2	175.8	179.2	-86.2	0	0	0	111.9	V452 I821 A822 F827 V828 V902 R903 L904 I908 V909 F910	V452-F906 HydrophobicContact CG1-CZ 4.46Å; I821-F906 HydrophobicContact CB-CE1 3.94Å; I821-F906 HydrophobicContact CB-CZ 4.38Å; I821-F906 HydrophobicContact CG2-CE1 3.55Å; I821-F906 HydrophobicContact CG2-CZ 3.59Å; A822-F906 HydrophobicContact CB-CD1 4.12Å; F827-F906 HydrophobicContact CE1-CE2 4.13Å; V828-F906 HydrophobicContact CG2-CB 4.44Å; V828-F906 HydrophobicContact CG2-CD1 4.45Å; V828-F906 HydrophobicContact CG2-CD2 4.46Å; V828-F906 HydrophobicContact CG2-CG 4.19Å; V902-F906 VanDerWaalsContact O-CB 3.31Å; V902-F906 WeakPolarHBondContact O-CB 3.23Å; V902-F906 PolarHBondContact O-N 3.49Å; R903-F906 PolarHBondContact O-N 3.02Å; L904-F906 PolarHBondContact O-N 3.23Å; F906-I908 VanDerWaalsContact C-N 3.33Å; F906-I908 PolarHBondContact O-N 2.9Å; F906-V909 PolarHBondContact O-N 2.81Å; F906-F910 HydrophobicContact CD1-CB 4.4Å; F906-F910 HydrophobicContact CE1-CB 4.05Å; F906-F910 HydrophobicContact CE1-CD2 4.06Å; F906-F910 HydrophobicContact CE1-CG 4.2Å; F906-F910 HydrophobicContact CZ-CB 4.31Å; F906-F910 AromaticContact CZ-CD2 3.77Å; F906-F910 HydrophobicContact CZ-CD2 3.77Å; F906-F910 HydrophobicContact CZ-CE2 4.5Å; F906-F910 HydrophobicContact CZ-CG 4.32Å; F906-F910 WeakPolarHBondContact O-CB 3.42Å; F906-F910 PolarHBondContact O-N 3.31Å
907	V	95.8	Very high	94.7	Very high	8 Å²	8	59.3 Å²	59.3	5%	0.048	32%	0.32	C	S	.	.	H	α-helix	trans	-58.2	-45.9	177	173.2	0	0	0	0	110.9	A818 F819 A822 F823 R903 L904 A905 Q911	A818-V907 HydrophobicContact CB-CG1 4.16Å; F819-V907 HydrophobicContact CD1-CG2 4.41Å; F819-V907 HydrophobicContact CD2-CG1 4.26Å; F819-V907 HydrophobicContact CE2-CG1 3.93Å; F819-V907 HydrophobicContact CZ-CG1 4.06Å; A822-V907 HydrophobicContact CB-CG2 3.48Å; A822-V907 VanDerWaalsContact CB-CG2 3.48Å; F823-V907 HydrophobicContact CE2-CG2 4.3Å; R903-V907 WeakPolarHBondContact O-CG2 3.32Å; R903-V907 PolarHBondContact O-N 3.23Å; R903-V907 VanDerWaalsContact O-N 3.12Å; L904-V907 PolarHBondContact O-N 2.91Å; A905-V907 PolarHBondContact O-N 3.33Å; V907-Q911 WeakPolarHBondContact O-CB 3.29Å; V907-Q911 PolarHBondContact O-N 3.12Å
908	I	95.9	Very high	94.6	Very high	103 Å²	103	52.5 Å²	52.5	53%	0.528	30%	0.295	S	S	.	.	H	α-helix	trans	-63.3	-48	-180	-65.8	165.7	0	0	0	111	L904 A905 F906 N912	L904-I908 WeakPolarHBondContact O-CG1 3.38Å; L904-I908 PolarHBondContact O-N 3.34Å; L904-I908 VanDerWaalsContact O-N 3.13Å; A905-I908 PolarHBondContact O-N 2.88Å; F906-I908 VanDerWaalsContact C-N 3.33Å; F906-I908 PolarHBondContact O-N 2.9Å; I908-N912 WeakPolarHBondContact O-CB 3.41Å; I908-N912 PolarHBondContact O-N 3.44Å; I908-N912 VanDerWaalsContact O-N 3.11Å; I908-N912 PolarHBondContact O-ND2 2.9Å
909	V	95.8	Very high	94.5	Very high	98 Å²	98	54 Å²	54	59%	0.594	30%	0.298	S	S	*	.	H	α-helix	trans	-65.3	-49.4	-179.6	172.1	0	0	0	0	111.1	A905 F906 Q911 N912 M913	A905-V909 WeakPolarHBondContact O-CG2 3.49Å; A905-V909 PolarHBondContact O-N 3.28Å; F906-V909 PolarHBondContact O-N 2.81Å; V909-Q911 PolarHBondContact O-N 3.15Å; V909-N912 PolarHBondContact O-N 3.09Å; V909-M913 VanDerWaalsContact O-CB 3.24Å; V909-M913 WeakPolarHBondContact O-CB 3.26Å; V909-M913 PolarHBondContact O-N 3.13Å
910	F	94.7	Very high	94.5	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.035	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-46.5	179.8	-175.2	-81.3	0	0	0	111.4	V452 I456 A818 I821 F906 V914	V452-F910 HydrophobicContact CG1-CE2 4.3Å; I456-F910 HydrophobicContact CD1-CE2 4.18Å; I456-F910 HydrophobicContact CG1-CE2 3.7Å; I456-F910 HydrophobicContact CG1-CZ 4.01Å; A818-F910 HydrophobicContact CB-CD1 3.61Å; A818-F910 HydrophobicContact CB-CE1 4.18Å; A818-F910 HydrophobicContact CB-CG 4.34Å; I821-F910 HydrophobicContact CD1-CE2 3.95Å; I821-F910 HydrophobicContact CD1-CZ 3.94Å; F906-F910 HydrophobicContact CD1-CB 4.4Å; F906-F910 HydrophobicContact CE1-CB 4.05Å; F906-F910 HydrophobicContact CE1-CD2 4.06Å; F906-F910 HydrophobicContact CE1-CG 4.2Å; F906-F910 HydrophobicContact CZ-CB 4.31Å; F906-F910 AromaticContact CZ-CD2 3.77Å; F906-F910 HydrophobicContact CZ-CD2 3.77Å; F906-F910 HydrophobicContact CZ-CE2 4.5Å; F906-F910 HydrophobicContact CZ-CG 4.32Å; F906-F910 WeakPolarHBondContact O-CB 3.42Å; F906-F910 PolarHBondContact O-N 3.31Å; F910-V914 HydrophobicContact CD1-CG2 4.08Å; F910-V914 HydrophobicContact CE1-CG2 3.91Å; F910-V914 HydrophobicContact CE2-CG2 4.35Å; F910-V914 HydrophobicContact CG-CG2 4.4Å; F910-V914 HydrophobicContact CZ-CG2 4.05Å; F910-V914 WeakPolarHBondContact O-CB 3.35Å; F910-V914 VanDerWaalsContact O-CG2 3.29Å; F910-V914 WeakPolarHBondContact O-CG2 3.09Å; F910-V914 PolarHBondContact O-N 2.73Å
911	Q	95.1	Very high	94.4	Very high	54 Å²	54	58.3 Å²	58.3	25%	0.252	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-51.9	179	-178.4	-175.6	-30.6	0	0	111.4	I815 V907 V909 M915	I815-Q911 HydrophobicContact CG1-CG 4.36Å; V907-Q911 WeakPolarHBondContact O-CB 3.29Å; V907-Q911 PolarHBondContact O-N 3.12Å; V909-Q911 PolarHBondContact O-N 3.15Å; Q911-M915 HydrophobicContact CG-CE 3.72Å; Q911-M915 HydrophobicContact CG-CG 4.4Å; Q911-M915 HydrophobicContact CG-SD 3.74Å; Q911-M915 VanDerWaalsContact O-CB 3.28Å; Q911-M915 WeakPolarHBondContact O-CB 3.24Å; Q911-M915 VanDerWaalsContact O-CG 3.24Å; Q911-M915 WeakPolarHBondContact O-CG 3.46Å; Q911-M915 PolarHBondContact O-N 3.14Å
912	N	94.9	Very high	94.2	Very high	100 Å²	100	57.1 Å²	57.1	54%	0.535	30%	0.303	S	S	.	.	H	α-helix	trans	-66.1	-42.3	-177.2	-76.4	-78.8	0	0	0	111.9	I908 V909 L916	I908-N912 WeakPolarHBondContact O-CB 3.41Å; I908-N912 PolarHBondContact O-N 3.44Å; I908-N912 VanDerWaalsContact O-N 3.11Å; I908-N912 PolarHBondContact O-ND2 2.9Å; V909-N912 PolarHBondContact O-N 3.09Å; N912-L916 VanDerWaalsContact O-CB 3.25Å; N912-L916 WeakPolarHBondContact O-CB 3.15Å; N912-L916 PolarHBondContact O-N 3.34Å
913	M	95.2	Very high	94	Very high	82 Å²	82	63.7 Å²	63.7	40%	0.404	32%	0.321	S	S	.	.	H	α-helix	trans	-60.5	-52.5	176.4	-176	-172	75.9	0	0	111.5	I456 V909 M915 L916 M917	I456-M913 HydrophobicContact CD1-CE 3.76Å; I456-M913 HydrophobicContact CG1-CE 4.36Å; V909-M913 VanDerWaalsContact O-CB 3.24Å; V909-M913 WeakPolarHBondContact O-CB 3.26Å; V909-M913 PolarHBondContact O-N 3.13Å; M913-M915 PolarHBondContact O-N 3.07Å; M913-L916 PolarHBondContact O-N 2.95Å; M913-M917 HydrophobicContact CG-SD 4.04Å; M913-M917 VanDerWaalsContact O-CG 3.29Å; M913-M917 WeakPolarHBondContact O-CG 3.38Å; M913-M917 PolarHBondContact O-N 2.87Å
914	V	94.8	Very high	93.8	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-69.6	-35.2	-175.9	176.2	0	0	0	0	111.6	I456 A459 V814 F910 S918	I456-V914 HydrophobicContact CG1-CG2 3.98Å; I456-V914 HydrophobicContact CG2-CG2 4.4Å; A459-V914 HydrophobicContact CB-CG1 3.39Å; V814-V914 HydrophobicContact CB-CG1 4.43Å; V814-V914 HydrophobicContact CG1-CB 3.82Å; V814-V914 HydrophobicContact CG1-CG1 3.69Å; V814-V914 HydrophobicContact CG2-CG1 3.89Å; F910-V914 HydrophobicContact CD1-CG2 4.08Å; F910-V914 HydrophobicContact CE1-CG2 3.91Å; F910-V914 HydrophobicContact CE2-CG2 4.35Å; F910-V914 HydrophobicContact CG-CG2 4.4Å; F910-V914 HydrophobicContact CZ-CG2 4.05Å; F910-V914 WeakPolarHBondContact O-CB 3.35Å; F910-V914 VanDerWaalsContact O-CG2 3.29Å; F910-V914 WeakPolarHBondContact O-CG2 3.09Å; F910-V914 PolarHBondContact O-N 2.73Å; V914-S918 VanDerWaalsContact O-CB 3.26Å; V914-S918 WeakPolarHBondContact O-CB 3.45Å; V914-S918 PolarHBondContact O-N 3.09Å; V914-S918 PolarHBondContact O-OG 3.05Å
915	M	93.1	Very high	93.6	Very high	39 Å²	39	65.1 Å²	65.1	19%	0.192	33%	0.33	C	S	.	.	H	α-helix	trans	-66.1	-43.1	173	-73.1	-177.4	175.7	0	0	112.1	V814 I815 Q911 M913 S918 D919	V814-M915 HydrophobicContact CB-CE 4.27Å; V814-M915 HydrophobicContact CG1-CE 4.32Å; V814-M915 HydrophobicContact CG1-CG 4.08Å; I815-M915 HydrophobicContact CD1-CE 3.98Å; I815-M915 HydrophobicContact CG1-CE 3.64Å; Q911-M915 HydrophobicContact CG-CE 3.72Å; Q911-M915 HydrophobicContact CG-CG 4.4Å; Q911-M915 HydrophobicContact CG-SD 3.74Å; Q911-M915 VanDerWaalsContact O-CB 3.28Å; Q911-M915 WeakPolarHBondContact O-CB 3.24Å; Q911-M915 VanDerWaalsContact O-CG 3.24Å; Q911-M915 WeakPolarHBondContact O-CG 3.46Å; Q911-M915 PolarHBondContact O-N 3.14Å; M913-M915 PolarHBondContact O-N 3.07Å; M915-S918 WeakPolarHBondContact O-CB 3.49Å; M915-S918 PolarHBondContact O-N 2.68Å; M915-D919 PolarHBondContact O-N 3.28Å
916	L	94.8	Very high	93.2	Very high	127 Å²	127	66 Å²	66	67%	0.665	33%	0.331	S	S	*	.	H	α-helix	trans	-63.6	-43.4	176.5	-177	149.6	0	0	0	111.8	N912 M913 S918 F920	N912-L916 VanDerWaalsContact O-CB 3.25Å; N912-L916 WeakPolarHBondContact O-CB 3.15Å; N912-L916 PolarHBondContact O-N 3.34Å; M913-L916 PolarHBondContact O-N 2.95Å; L916-S918 VanDerWaalsContact C-N 3.3Å; L916-S918 PolarHBondContact O-N 3.05Å; L916-F920 VanDerWaalsContact O-CB 3.27Å; L916-F920 WeakPolarHBondContact O-CB 3.39Å; L916-F920 PolarHBondContact O-N 3.28Å
917	M	93.3	Very high	92.8	Very high	70 Å²	70	68.1 Å²	68.1	35%	0.345	35%	0.345	S	S	.	.	H	α-helix	trans	-64.7	-35.3	174.4	-65	174.1	75.1	0	0	112.1	L460 M913 V921	L460-M917 HydrophobicContact CD1-CE 4.06Å; L460-M917 HydrophobicContact CD2-CB 3.82Å; M913-M917 HydrophobicContact CG-SD 4.04Å; M913-M917 VanDerWaalsContact O-CG 3.29Å; M913-M917 WeakPolarHBondContact O-CG 3.38Å; M913-M917 PolarHBondContact O-N 2.87Å; M917-V921 WeakPolarHBondContact O-CG2 3.27Å; M917-V921 PolarHBondContact O-N 2.86Å
918	S	91.6	Very high	92.3	Very high	9 Å²	9	71.8 Å²	71.8	6%	0.063	36%	0.363	C	S	.	.	H	α-helix	trans	-66	-50.7	176.9	-64.1	0	0	0	0	111.9	V914 M915 L916 F920 V921 D922	V914-S918 VanDerWaalsContact O-CB 3.26Å; V914-S918 WeakPolarHBondContact O-CB 3.45Å; V914-S918 PolarHBondContact O-N 3.09Å; V914-S918 PolarHBondContact O-OG 3.05Å; M915-S918 WeakPolarHBondContact O-CB 3.49Å; M915-S918 PolarHBondContact O-N 2.68Å; L916-S918 VanDerWaalsContact C-N 3.3Å; L916-S918 PolarHBondContact O-N 3.05Å; S918-F920 VanDerWaalsContact C-N 3.29Å; S918-F920 PolarHBondContact O-N 3.32Å; S918-V921 PolarHBondContact O-N 3.05Å; S918-V921 VanDerWaalsContact O-N 3.12Å; S918-D922 PolarHBondContact O-N 3.33Å; S918-D922 VanDerWaalsContact O-N 3.1Å
919	D	91.1	Very high	91.8	Very high	68 Å²	68	67.2 Å²	67.2	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-70.6	-25.3	-179.9	-68.2	-27.5	0	0	0	111.5	K811 M915 W923	K811-D919 VanDerWaalsContact NZ-CG 3.29Å; K811-D919 IonicContact NZ-OD1 2.88Å; K811-D919 PolarHBondContact NZ-OD1 2.94Å; K811-D919 IonicContact NZ-OD2 2.66Å; K811-D919 PolarHBondContact NZ-OD2 3.04Å; M915-D919 PolarHBondContact O-N 3.28Å; D919-W923 WeakPolarHBondContact O-CB 3.24Å; D919-W923 PolarHBondContact O-N 2.97Å
920	F	93.3	Very high	91.2	Very high	113 Å²	113	70.8 Å²	70.8	50%	0.496	35%	0.348	S	S	.	.	H	α-helix	trans	-66.7	-34.3	168.1	178.7	-100.9	0	0	0	113.1	L916 S918 W923 L924	L916-F920 VanDerWaalsContact O-CB 3.27Å; L916-F920 WeakPolarHBondContact O-CB 3.39Å; L916-F920 PolarHBondContact O-N 3.28Å; S918-F920 VanDerWaalsContact C-N 3.29Å; S918-F920 PolarHBondContact O-N 3.32Å; F920-W923 HydrophobicContact CD2-CE3 4.02Å; F920-W923 HydrophobicContact CD2-CZ3 4.4Å; F920-W923 AromaticContact CE2-CE3 3.89Å; F920-W923 HydrophobicContact CE2-CE3 3.89Å; F920-W923 AromaticContact CE2-CZ3 3.83Å; F920-W923 HydrophobicContact CE2-CZ3 3.83Å; F920-W923 PolarHBondContact O-N 2.84Å; F920-L924 HydrophobicContact CE1-CD2 4.29Å; F920-L924 VanDerWaalsContact O-CB 3.31Å; F920-L924 WeakPolarHBondContact O-CB 3.48Å; F920-L924 PolarHBondContact O-N 2.91Å
921	V	91.7	Very high	90.5	Very high	24 Å²	24	73.3 Å²	73.3	15%	0.145	36%	0.361	C	S	.	.	H	α-helix	trans	-74.2	-37.4	175	172.3	0	0	0	0	111.8	L460 V463 L464 M917 S918 W923 L924 I925	L460-V921 HydrophobicContact CD2-CG2 4.36Å; V463-V921 HydrophobicContact CB-CG1 4.37Å; V463-V921 HydrophobicContact CG1-CB 4.09Å; V463-V921 HydrophobicContact CG1-CG1 3.81Å; L464-V921 HydrophobicContact CD2-CG1 3.69Å; L464-V921 HydrophobicContact CG-CG1 4.15Å; M917-V921 WeakPolarHBondContact O-CG2 3.27Å; M917-V921 PolarHBondContact O-N 2.86Å; S918-V921 PolarHBondContact O-N 3.05Å; S918-V921 VanDerWaalsContact O-N 3.12Å; V921-W923 VanDerWaalsContact C-N 3.3Å; V921-W923 PolarHBondContact O-N 2.85Å; V921-L924 PolarHBondContact O-N 2.81Å; V921-I925 HydrophobicContact CG1-CD1 3.86Å; V921-I925 PolarHBondContact O-N 2.04Å
922	D	89.5	Confident	89.9	Confident	34 Å²	34	70.9 Å²	70.9	18%	0.182	35%	0.35	C	S	.	.	H	α-helix	trans	-58.7	-42.5	169.9	-158	-4.8	0	0	0	109.5	V463 K470 R807 S918	V463-D922 HydrophobicContact CG1-CB 4.4Å; K470-D922 IonicContact NZ-OD1 3.51Å; K470-D922 PolarHBondContact NZ-OD1 2.93Å; R807-D922 IonicContact CZ-OD2 2.64Å; R807-D922 IonicContact NH2-OD2 2.76Å; R807-D922 PolarHBondContact NH2-OD2 3.35Å; S918-D922 PolarHBondContact O-N 3.33Å; S918-D922 VanDerWaalsContact O-N 3.1Å
923	W	91.4	Very high	89.3	Confident	199 Å²	199	68.8 Å²	68.8	75%	0.754	34%	0.343	S	S	*	.	H	α-helix	trans	-68.6	-37.3	175.8	179.1	77.2	0	0	0	114.8	D919 F920 V921	D919-W923 WeakPolarHBondContact O-CB 3.24Å; D919-W923 PolarHBondContact O-N 2.97Å; F920-W923 HydrophobicContact CD2-CE3 4.02Å; F920-W923 HydrophobicContact CD2-CZ3 4.4Å; F920-W923 AromaticContact CE2-CE3 3.89Å; F920-W923 HydrophobicContact CE2-CE3 3.89Å; F920-W923 AromaticContact CE2-CZ3 3.83Å; F920-W923 HydrophobicContact CE2-CZ3 3.83Å; F920-W923 PolarHBondContact O-N 2.84Å; V921-W923 VanDerWaalsContact C-N 3.3Å; V921-W923 PolarHBondContact O-N 2.85Å
924	L	92.1	Very high	88.8	Confident	107 Å²	107	71.6 Å²	71.6	56%	0.56	35%	0.353	S	S	*	.	H	α-helix	trans	-74.8	-25.5	-175.2	-176.7	62.1	0	0	0	113.3	F920 V921	F920-L924 HydrophobicContact CE1-CD2 4.29Å; F920-L924 VanDerWaalsContact O-CB 3.31Å; F920-L924 WeakPolarHBondContact O-CB 3.48Å; F920-L924 PolarHBondContact O-N 2.91Å; V921-L924 PolarHBondContact O-N 2.81Å
925	I	90.4	Very high	88.1	Confident	33 Å²	33	73 Å²	73	17%	0.169	36%	0.36	C	S	.	.	S	Bend	trans	-105	111.6	-174.1	-60.8	175.9	0	0	0	110.1	L464 E467 V921 D927	L464-I925 HydrophobicContact CD2-CD1 3.6Å; E467-I925 HydrophobicContact CB-CB 4.36Å; E467-I925 HydrophobicContact CB-CD1 4.29Å; E467-I925 HydrophobicContact CB-CG2 3.99Å; V921-I925 HydrophobicContact CG1-CD1 3.86Å; V921-I925 PolarHBondContact O-N 2.04Å; I925-D927 PolarHBondContact O-N 2.85Å
926	P	88.3	Confident	87.5	Confident	69 Å²	69	73 Å²	73	45%	0.448	36%	0.36	S	S	.	.			trans	-70.7	130.3	-179.4	27.5	-34.3	0	0	0	112.2	R471 I928	R471-P926 WeakPolarHBondContact CD-O 3.44Å; P926-I928 PolarHBondContact O-N 3.29Å
927	D	86.6	Confident	87	Confident	86 Å²	86	72.6 Å²	72.6	46%	0.46	36%	0.355	S	S	.	.	S	Bend	trans	-48.9	-43.9	177.9	-63.8	-62.6	0	0	0	113	K470 R471 I925	K470-D927 WeakPolarHBondContact CD-OD1 3.05Å; K470-D927 VanDerWaalsContact CE-OD1 3.27Å; K470-D927 WeakPolarHBondContact CE-OD1 3.3Å; K470-D927 IonicContact NZ-OD1 3.2Å; K470-D927 PolarHBondContact NZ-OD1 3.4Å; R471-D927 VanDerWaalsContact CG-O 3.29Å; R471-D927 WeakPolarHBondContact CG-O 3.49Å; I925-D927 PolarHBondContact O-N 2.85Å
928	I	85.1	Confident	86.6	Confident	84 Å²	84	72.5 Å²	72.5	43%	0.431	35%	0.352	S	S	.	.	S	Bend	trans	-103.6	118.4	-178.2	-55.6	-179.6	0	0	0	108.4	M474 P926	M474-I928 HydrophobicContact CE-CD1 4.44Å; M474-I928 HydrophobicContact CE-CG1 4.36Å; P926-I928 PolarHBondContact O-N 3.29Å
929	P	86.2	Confident	85.9	Confident	7 Å²	7	72.8 Å²	72.8	5%	0.045	35%	0.353	C	S	.	.			trans	-76.4	137.9	179.4	35.1	-37	0	0	0	110.7	D931 I932 S933	P929-D931 VanDerWaalsContact C-N 3.25Å; P929-D931 VanDerWaalsContact CB-OD1 3.27Å; P929-D931 WeakPolarHBondContact CB-OD1 3.44Å; P929-D931 PolarHBondContact O-N 3.22Å; P929-I932 HydrophobicContact CG-CB 4.16Å; P929-I932 HydrophobicContact CG-CG1 3.85Å; P929-I932 PolarHBondContact O-N 3.2Å; P929-S933 PolarHBondContact O-N 3.42Å
930	K	81.9	Confident	85.5	Confident	174 Å²	174	74.5 Å²	74.5	76%	0.757	36%	0.357	S	S	*	.	H	α-helix	trans	-62	-27	-166.5	-65.6	-174.1	177.4	-177.1	0	114.8	S933 F934	K930-S933 WeakPolarHBondContact CA-OG 3.39Å; K930-S933 PolarHBondContact O-OG 3.48Å; K930-F934 WeakPolarHBondContact O-CB 3.22Å; K930-F934 PolarHBondContact O-N 3.27Å
931	D	79.6	Confident	85.1	Confident	60 Å²	60	73.8 Å²	73.8	32%	0.321	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-46.3	173.6	59.5	-41.7	0	0	0	111.4	R475 P929 F934 Q935	R475-D931 IonicContact CZ-OD2 3.53Å; R475-D931 IonicContact NE-OD2 3.55Å; R475-D931 IonicContact NH2-OD2 2.68Å; R475-D931 PolarHBondContact NH2-OD2 2.99Å; P929-D931 VanDerWaalsContact C-N 3.25Å; P929-D931 VanDerWaalsContact CB-OD1 3.27Å; P929-D931 WeakPolarHBondContact CB-OD1 3.44Å; P929-D931 PolarHBondContact O-N 3.22Å; D931-F934 PolarHBondContact O-N 3.32Å; D931-Q935 WeakPolarHBondContact O-CB 3.13Å; D931-Q935 VanDerWaalsContact O-CG 3.23Å; D931-Q935 WeakPolarHBondContact O-CG 3.1Å; D931-Q935 PolarHBondContact O-N 3.35Å
932	I	82.1	Confident	84.6	Confident	4 Å²	4	74.9 Å²	74.9	2%	0.021	36%	0.363	C	S	.	.	H	α-helix	trans	-72.8	-38.5	-178.6	-56.9	-55.8	0	0	0	111.2	R475 Y478 P929 F934 Q935 I936	R475-I932 HydrophobicContact CB-CG1 4.38Å; R475-I932 HydrophobicContact CG-CD1 4.02Å; R475-I932 HydrophobicContact CG-CG1 4.36Å; Y478-I932 HydrophobicContact CD1-CD1 3.92Å; Y478-I932 HydrophobicContact CD1-CG2 4.16Å; Y478-I932 HydrophobicContact CD2-CG2 4.33Å; Y478-I932 HydrophobicContact CE1-CD1 4.42Å; Y478-I932 HydrophobicContact CG-CG2 3.79Å; P929-I932 HydrophobicContact CG-CB 4.16Å; P929-I932 HydrophobicContact CG-CG1 3.85Å; P929-I932 PolarHBondContact O-N 3.2Å; I932-F934 VanDerWaalsContact C-N 3.32Å; I932-F934 PolarHBondContact O-N 2.58Å; I932-Q935 PolarHBondContact O-N 2.87Å; I932-I936 HydrophobicContact CG2-CD1 3.82Å; I932-I936 HydrophobicContact CG2-CG1 4.29Å; I932-I936 VanDerWaalsContact O-CG1 3.31Å; I932-I936 WeakPolarHBondContact O-CG1 3.08Å; I932-I936 PolarHBondContact O-N 3.38Å
933	S	82.7	Confident	84.1	Confident	55 Å²	55	75.7 Å²	75.7	39%	0.385	37%	0.366	S	S	.	.	H	α-helix	trans	-62.4	-39.3	175.2	58.4	0	0	0	0	112.4	P929 K930 H937	P929-S933 PolarHBondContact O-N 3.42Å; K930-S933 WeakPolarHBondContact CA-OG 3.39Å; K930-S933 PolarHBondContact O-OG 3.48Å; S933-H937 PolarHBondContact O-N 3.39Å
934	F	84.9	Confident	83.6	Confident	141 Å²	141	71.2 Å²	71.2	62%	0.618	36%	0.356	S	S	*	.	H	α-helix	trans	-68.6	-41.7	174.7	-179.1	-100.9	0	0	0	112.1	K930 D931 I932 H937 K938	K930-F934 WeakPolarHBondContact O-CB 3.22Å; K930-F934 PolarHBondContact O-N 3.27Å; D931-F934 PolarHBondContact O-N 3.32Å; I932-F934 VanDerWaalsContact C-N 3.32Å; I932-F934 PolarHBondContact O-N 2.58Å; F934-H937 PolarHBondContact O-N 3.32Å; F934-K938 WeakPolarHBondContact O-CB 3.48Å; F934-K938 PolarHBondContact O-N 3.44Å
935	Q	81.1	Confident	83.2	Confident	31 Å²	31	70.5 Å²	70.5	15%	0.145	35%	0.353	C	S	.	.	H	α-helix	trans	-63	-43.5	176.9	-75.1	172.5	15.1	0	0	112.4	V226 Y478 D931 I932 H937 K938 E939	V226-Q935 HydrophobicContact CG1-CG 4.43Å; V226-Q935 VanDerWaalsContact CG1-NE2 3.34Å; Y478-Q935 HydrophobicContact CE1-CB 4.25Å; D931-Q935 WeakPolarHBondContact O-CB 3.13Å; D931-Q935 VanDerWaalsContact O-CG 3.23Å; D931-Q935 WeakPolarHBondContact O-CG 3.1Å; D931-Q935 PolarHBondContact O-N 3.35Å; I932-Q935 PolarHBondContact O-N 2.87Å; Q935-H937 VanDerWaalsContact C-N 3.33Å; Q935-H937 PolarHBondContact O-N 2.71Å; Q935-K938 PolarHBondContact O-N 2.79Å; Q935-E939 VanDerWaalsContact O-CB 3.31Å; Q935-E939 WeakPolarHBondContact O-CB 3.28Å; Q935-E939 PolarHBondContact O-N 3.02Å
936	I	80.6	Confident	82.6	Confident	38 Å²	38	69.9 Å²	69.9	20%	0.195	35%	0.349	C	S	.	.	H	α-helix	trans	-59.8	-43.3	175	-70.2	166.8	0	0	0	111.1	Y478 T483 I932 E939 K940	Y478-I936 HydrophobicContact CD2-CD1 4.06Å; Y478-I936 HydrophobicContact CD2-CG1 3.43Å; Y478-I936 VanDerWaalsContact CD2-CG1 3.43Å; Y478-I936 HydrophobicContact CE2-CG1 3.67Å; Y478-I936 HydrophobicContact CG-CG1 4.37Å; T483-I936 HydrophobicContact CG2-CD1 4.09Å; I932-I936 HydrophobicContact CG2-CD1 3.82Å; I932-I936 HydrophobicContact CG2-CG1 4.29Å; I932-I936 VanDerWaalsContact O-CG1 3.31Å; I932-I936 WeakPolarHBondContact O-CG1 3.08Å; I932-I936 PolarHBondContact O-N 3.38Å; I936-E939 PolarHBondContact O-N 3.3Å; I936-K940 WeakPolarHBondContact O-CG 3.33Å; I936-K940 PolarHBondContact O-N 3.08Å
937	H	84.3	Confident	82.2	Confident	118 Å²	118	70 Å²	70	55%	0.546	34%	0.343	S	S	.	.	H	α-helix	trans	-65.8	-44.7	177.8	-173.4	76.8	0	0	0	111.9	S933 F934 Q935 E939 K940 L941	S933-H937 PolarHBondContact O-N 3.39Å; F934-H937 PolarHBondContact O-N 3.32Å; Q935-H937 VanDerWaalsContact C-N 3.33Å; Q935-H937 PolarHBondContact O-N 2.71Å; H937-E939 VanDerWaalsContact C-N 3.35Å; H937-E939 PolarHBondContact O-N 3.44Å; H937-K940 PolarHBondContact O-N 3.34Å; H937-L941 WeakPolarHBondContact O-CG 3.31Å; H937-L941 PolarHBondContact O-N 2.8Å
938	K	83.6	Confident	82	Confident	68 Å²	68	71.8 Å²	71.8	30%	0.296	35%	0.35	S	S	.	.	H	α-helix	trans	-60.2	-42.2	174	-173.1	-166.3	175.7	-161.1	0	111.9	E225 F934 Q935 L941 L942	E225-K938 PolarHBondContact O-NZ 3.46Å; E225-K938 VanDerWaalsContact O-NZ 3.11Å; F934-K938 WeakPolarHBondContact O-CB 3.48Å; F934-K938 PolarHBondContact O-N 3.44Å; Q935-K938 PolarHBondContact O-N 2.79Å; K938-L941 PolarHBondContact O-N 3.1Å; K938-L942 HydrophobicContact CG-CD1 4.18Å; K938-L942 WeakPolarHBondContact O-CG 3.49Å; K938-L942 PolarHBondContact O-N 2.87Å
939	E	77.8	Confident	82	Confident	16 Å²	16	74.1 Å²	74.1	8%	0.075	36%	0.357	C	S	.	.	H	α-helix	trans	-65.2	-41.4	178.7	-173.9	162	-120.1	0	0	111.2	Y224 K260 L262 Y478 Q935 I936 H937 L941 L942 M943	Y224-E939 HydrophobicContact CE1-CG 4.36Å; Y224-E939 WeakPolarHBondContact CE1-OE1 3.46Å; Y224-E939 PolarHBondContact OH-OE1 3.46Å; K260-E939 WeakPolarHBondContact CE-OE1 3.37Å; K260-E939 VanDerWaalsContact NZ-CD 3.27Å; K260-E939 IonicContact NZ-OE1 3.43Å; K260-E939 PolarHBondContact NZ-OE1 3.18Å; K260-E939 IonicContact NZ-OE2 3.79Å; K260-E939 PolarHBondContact NZ-OE2 2.95Å; L262-E939 HydrophobicContact CD1-CG 3.72Å; Y478-E939 VanDerWaalsContact CE2-OE2 3.29Å; Y478-E939 WeakPolarHBondContact CE2-OE2 3.18Å; Q935-E939 VanDerWaalsContact O-CB 3.31Å; Q935-E939 WeakPolarHBondContact O-CB 3.28Å; Q935-E939 PolarHBondContact O-N 3.02Å; I936-E939 PolarHBondContact O-N 3.3Å; H937-E939 VanDerWaalsContact C-N 3.35Å; H937-E939 PolarHBondContact O-N 3.44Å; E939-L941 PolarHBondContact O-N 3.37Å; E939-L942 PolarHBondContact O-N 3.1Å; E939-M943 WeakPolarHBondContact O-CB 3.43Å; E939-M943 PolarHBondContact O-N 3.25Å
940	K	81.9	Confident	81.6	Confident	104 Å²	104	76.7 Å²	76.7	45%	0.452	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-36.9	173.5	-72.1	-171.8	178.4	-163.7	0	113	D484 I936 H937 L944	D484-K940 IonicContact OD1-NZ 2.67Å; D484-K940 PolarHBondContact OD1-NZ 3.49Å; I936-K940 WeakPolarHBondContact O-CG 3.33Å; I936-K940 PolarHBondContact O-N 3.08Å; H937-K940 PolarHBondContact O-N 3.34Å; K940-L944 PolarHBondContact O-N 3.43Å; K940-L944 VanDerWaalsContact O-N 3.17Å
941	L	84.9	Confident	81.5	Confident	97 Å²	97	70.4 Å²	70.4	51%	0.508	34%	0.342	S	S	.	.	H	α-helix	trans	-68.5	-46.9	174.6	-70.9	172.1	0	0	0	112.5	H937 K938 E939 M943 L944 D945	H937-L941 WeakPolarHBondContact O-CG 3.31Å; H937-L941 PolarHBondContact O-N 2.8Å; K938-L941 PolarHBondContact O-N 3.1Å; E939-L941 PolarHBondContact O-N 3.37Å; L941-M943 VanDerWaalsContact C-N 3.3Å; L941-M943 PolarHBondContact O-N 3.43Å; L941-L944 PolarHBondContact O-N 3.32Å; L941-D945 PolarHBondContact O-N 3.16Å
942	L	82.2	Confident	81.4	Confident	47 Å²	47	68.7 Å²	68.7	25%	0.246	34%	0.338	C	S	.	.	H	α-helix	trans	-63.6	-36.6	176.4	-71.6	174.8	0	0	0	112.1	Y224 K938 E939 D945 H946	Y224-L942 HydrophobicContact CD1-CD1 4.31Å; Y224-L942 HydrophobicContact CD2-CD1 4.39Å; Y224-L942 HydrophobicContact CG-CD1 4.08Å; K938-L942 HydrophobicContact CG-CD1 4.18Å; K938-L942 WeakPolarHBondContact O-CG 3.49Å; K938-L942 PolarHBondContact O-N 2.87Å; E939-L942 PolarHBondContact O-N 3.1Å; L942-D945 PolarHBondContact O-N 3.26Å; L942-H946 WeakPolarHBondContact O-CB 3.42Å; L942-H946 PolarHBondContact O-N 3.41Å
943	M	77.4	Confident	81.2	Confident	52 Å²	52	75.2 Å²	75.2	26%	0.256	36%	0.363	S	S	.	.	H	α-helix	trans	-59.3	-45.8	173.9	-172.3	-174.5	-68.5	0	0	111.8	L262 L264 E939 L941 F947	L262-M943 HydrophobicContact CD1-CB 4.05Å; L262-M943 HydrophobicContact CD1-CE 4.11Å; L262-M943 HydrophobicContact CD1-CG 4.43Å; L262-M943 HydrophobicContact CD2-CB 4.43Å; L264-M943 HydrophobicContact CD2-CE 4.27Å; L264-M943 HydrophobicContact CD2-CG 3.5Å; L264-M943 VanDerWaalsContact CD2-CG 3.5Å; L264-M943 HydrophobicContact CD2-SD 3.76Å; E939-M943 WeakPolarHBondContact O-CB 3.43Å; E939-M943 PolarHBondContact O-N 3.25Å; L941-M943 VanDerWaalsContact C-N 3.3Å; L941-M943 PolarHBondContact O-N 3.43Å; M943-F947 VanDerWaalsContact O-CB 3.24Å; M943-F947 WeakPolarHBondContact O-CB 3.04Å; M943-F947 PolarHBondContact O-N 3.15Å
944	L	81.6	Confident	80.7	Confident	105 Å²	105	78.1 Å²	78.1	55%	0.55	37%	0.365	S	S	.	.	H	α-helix	trans	-67.8	-44.2	179.5	-174	63.5	0	0	0	111.7	K940 L941 F947 M948	K940-L944 PolarHBondContact O-N 3.43Å; K940-L944 VanDerWaalsContact O-N 3.17Å; L941-L944 PolarHBondContact O-N 3.32Å; L944-F947 PolarHBondContact O-N 3.03Å; L944-M948 HydrophobicContact CD1-CG 4.35Å; L944-M948 WeakPolarHBondContact O-CB 3.3Å; L944-M948 WeakPolarHBondContact O-CG 3.13Å; L944-M948 PolarHBondContact O-N 3.34Å
945	D	84.4	Confident	80	Confident	92 Å²	92	79.9 Å²	79.9	49%	0.492	37%	0.368	S	S	.	.	H	α-helix	trans	-60.9	-49.9	176.2	-180	64.3	0	0	0	111.9	L941 L942 F947 M948 K949	L941-D945 PolarHBondContact O-N 3.16Å; L942-D945 PolarHBondContact O-N 3.26Å; D945-F947 VanDerWaalsContact C-N 3.33Å; D945-F947 PolarHBondContact O-N 2.97Å; D945-M948 PolarHBondContact O-N 2.04Å; D945-K949 VanDerWaalsContact O-CB 3.22Å; D945-K949 WeakPolarHBondContact O-CB 3.25Å; D945-K949 PolarHBondContact O-N 3.43Å
946	H	77.9	Confident	79.5	Confident	20 Å²	20	83.2 Å²	83.2	9%	0.093	39%	0.387	C	S	.	.	H	α-helix	trans	-59.5	-44.2	178.2	-177.9	26.4	0	0	0	112	L262 L942 K949 E950	L262-H946 HydrophobicContact CD2-CB 4.34Å; L942-H946 WeakPolarHBondContact O-CB 3.42Å; L942-H946 PolarHBondContact O-N 3.41Å; H946-K949 PolarHBondContact O-N 2.98Å; H946-E950 PolarHBondContact O-N 3.5Å
947	F	79	Confident	78.8	Confident	70 Å²	70	85.7 Å²	85.7	31%	0.307	40%	0.4	S	S	.	.	H	α-helix	trans	-62.4	-48.9	178.5	179	-112.7	0	0	0	112	K270 M943 L944 D945 K949 E950 E951	K270-F947 HydrophobicContact CD-CE2 4.29Å; M943-F947 VanDerWaalsContact O-CB 3.24Å; M943-F947 WeakPolarHBondContact O-CB 3.04Å; M943-F947 PolarHBondContact O-N 3.15Å; L944-F947 PolarHBondContact O-N 3.03Å; D945-F947 VanDerWaalsContact C-N 3.33Å; D945-F947 PolarHBondContact O-N 2.97Å; F947-K949 VanDerWaalsContact C-N 3.32Å; F947-K949 PolarHBondContact O-N 3.37Å; F947-E950 PolarHBondContact O-N 3.5Å; F947-E951 HydrophobicContact CD2-CG 4.04Å; F947-E951 HydrophobicContact CE1-CG 4.3Å; F947-E951 HydrophobicContact CE2-CG 3.52Å; F947-E951 VanDerWaalsContact CE2-OE1 3.27Å; F947-E951 WeakPolarHBondContact CE2-OE1 3.43Å; F947-E951 HydrophobicContact CZ-CG 3.68Å; F947-E951 WeakPolarHBondContact O-CB 3.09Å; F947-E951 WeakPolarHBondContact O-CG 3.39Å; F947-E951 PolarHBondContact O-N 3.07Å; F947-E951 VanDerWaalsContact O-N 3.1Å
948	M	83	Confident	77.7	Confident	124 Å²	124	85.8 Å²	85.8	61%	0.611	40%	0.401	S	S	*	.	H	α-helix	trans	-62.2	-39	177.9	-71.7	-66.5	-67.9	0	0	112.1	L944 D945 G952	L944-M948 HydrophobicContact CD1-CG 4.35Å; L944-M948 WeakPolarHBondContact O-CB 3.3Å; L944-M948 WeakPolarHBondContact O-CG 3.13Å; L944-M948 PolarHBondContact O-N 3.34Å; D945-M948 PolarHBondContact O-N 2.04Å; M948-G952 PolarHBondContact O-N 2.95Å
949	K	83.9	Confident	76.4	Confident	134 Å²	134	87.7 Å²	87.7	58%	0.583	41%	0.414	S	S	*	.	H	α-helix	trans	-67.5	-42.9	-179.4	-172.8	173.7	-174.4	171.7	0	113	D945 H946 F947 G952 R953	D945-K949 VanDerWaalsContact O-CB 3.22Å; D945-K949 WeakPolarHBondContact O-CB 3.25Å; D945-K949 PolarHBondContact O-N 3.43Å; H946-K949 PolarHBondContact O-N 2.98Å; F947-K949 VanDerWaalsContact C-N 3.32Å; F947-K949 PolarHBondContact O-N 3.37Å; K949-G952 PolarHBondContact O-N 3.04Å; K949-R953 WeakPolarHBondContact O-CG 3.43Å; K949-R953 PolarHBondContact O-N 3.25Å
950	E	78.8	Confident	75.3	Confident	60 Å²	60	93.9 Å²	93.9	28%	0.28	44%	0.443	S	S	.	.	H	α-helix	trans	-79.2	-36.9	-177.6	-156.6	71.6	176.6	0	0	112.2	L273 H946 F947 G952 R953 R954	L273-E950 HydrophobicContact CD2-CB 3.85Å; L273-E950 HydrophobicContact CD2-CG 3.78Å; H946-E950 PolarHBondContact O-N 3.5Å; F947-E950 PolarHBondContact O-N 3.5Å; E950-G952 VanDerWaalsContact C-N 3.26Å; E950-G952 PolarHBondContact O-N 2.81Å; E950-R953 PolarHBondContact O-N 2.64Å; E950-R954 WeakPolarHBondContact O-CB 3.4Å; E950-R954 PolarHBondContact O-N 2.66Å
951	E	79.1	Confident	73.8	Confident	43 Å²	43	94.1 Å²	94.1	20%	0.201	45%	0.449	C	S	.	.	H	α-helix	trans	-63	-34	168.7	-68.7	-76.3	-176.7	0	0	111.6	K270 F947 R954 R955	K270-E951 WeakPolarHBondContact CE-OE1 3.34Å; K270-E951 IonicContact NZ-OE1 3.75Å; K270-E951 PolarHBondContact NZ-OE1 3.44Å; F947-E951 HydrophobicContact CD2-CG 4.04Å; F947-E951 HydrophobicContact CE1-CG 4.3Å; F947-E951 HydrophobicContact CE2-CG 3.52Å; F947-E951 VanDerWaalsContact CE2-OE1 3.27Å; F947-E951 WeakPolarHBondContact CE2-OE1 3.43Å; F947-E951 HydrophobicContact CZ-CG 3.68Å; F947-E951 WeakPolarHBondContact O-CB 3.09Å; F947-E951 WeakPolarHBondContact O-CG 3.39Å; F947-E951 PolarHBondContact O-N 3.07Å; F947-E951 VanDerWaalsContact O-N 3.1Å; E951-R954 PolarHBondContact O-N 2.93Å; E951-R955 WeakPolarHBondContact O-CG 3.5Å; E951-R955 PolarHBondContact O-N 3.41Å
952	G	78.6	Confident	71.8	Confident	24 Å²	24	92.1 Å²	92.1	25%	0.247	45%	0.452	C	S	.	.	H	α-helix	trans	-58.7	-59.5	169.2	0	0	0	0	0	111.8	M948 K949 E950 R954 R955 D956	M948-G952 PolarHBondContact O-N 2.95Å; K949-G952 PolarHBondContact O-N 3.04Å; E950-G952 VanDerWaalsContact C-N 3.26Å; E950-G952 PolarHBondContact O-N 2.81Å; G952-R954 PolarHBondContact O-N 3.13Å; G952-R954 VanDerWaalsContact O-N 3.15Å; G952-R955 WeakPolarHBondContact O-CB 3.44Å; G952-R955 PolarHBondContact O-N 3.22Å; G952-D956 PolarHBondContact O-N 3.26Å
953	R	76.8	Confident	70.2	Confident	141 Å²	141	99.7 Å²	99.7	53%	0.532	48%	0.479	S	S	.	.	H	α-helix	trans	-53.7	-36.9	176.2	-72.4	-177.2	61.5	68.5	1.7	112.9	K949 E950 D956 N957	K949-R953 WeakPolarHBondContact O-CG 3.43Å; K949-R953 PolarHBondContact O-N 3.25Å; E950-R953 PolarHBondContact O-N 2.64Å; R953-D956 PolarHBondContact O-N 3.08Å; R953-N957 WeakPolarHBondContact O-CB 3.24Å; R953-N957 PolarHBondContact O-N 3.39Å; R953-N957 PolarHBondContact O-OD1 3.47Å
954	R	72.8	Confident	68.3	Low	116 Å²	116	102.7 Å²	102.7	44%	0.438	50%	0.5	S	S	.	.	H	α-helix	trans	-66.5	-39.7	176.9	-170.1	-179	-179.8	94.9	7.6	112.4	E950 E951 G952 H958	E950-R954 WeakPolarHBondContact O-CB 3.4Å; E950-R954 PolarHBondContact O-N 2.66Å; E951-R954 PolarHBondContact O-N 2.93Å; G952-R954 PolarHBondContact O-N 3.13Å; G952-R954 VanDerWaalsContact O-N 3.15Å; R954-H958 WeakPolarHBondContact O-CB 3.17Å; R954-H958 PolarHBondContact O-N 3.27Å; R954-H958 VanDerWaalsContact O-N 3.08Å
955	R	69.6	Low	66.1	Low	177 Å²	177	102.4 Å²	102.4	67%	0.668	51%	0.506	S	S	*	.	H	α-helix	trans	-68.2	-42.4	174.4	-72.1	172.4	-178.3	-167	0.5	111.8	E951 G952 H958 N959	E951-R955 WeakPolarHBondContact O-CG 3.5Å; E951-R955 PolarHBondContact O-N 3.41Å; G952-R955 WeakPolarHBondContact O-CB 3.44Å; G952-R955 PolarHBondContact O-N 3.22Å; R955-H958 PolarHBondContact O-N 3.25Å; R955-N959 PolarHBondContact O-N 3.22Å
956	D	71.9	Confident	64	Low	102 Å²	102	104 Å²	104	55%	0.545	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-45	179.2	-62.7	-27.9	0	0	0	111.1	G952 R953 N959 H960	G952-D956 PolarHBondContact O-N 3.26Å; R953-D956 PolarHBondContact O-N 3.08Å; D956-N959 PolarHBondContact O-N 2.9Å; D956-H960 PolarHBondContact O-N 3.12Å
957	N	66	Low	61.8	Low	90 Å²	90	109 Å²	109	48%	0.481	56%	0.559	S	S	.	*	H	α-helix	trans	-60.7	-46.3	172.6	-80.1	23.2	0	0	0	112.2	R953 N959 H960 D961	R953-N957 WeakPolarHBondContact O-CB 3.24Å; R953-N957 PolarHBondContact O-N 3.39Å; R953-N957 PolarHBondContact O-OD1 3.47Å; N957-N959 VanDerWaalsContact C-N 3.29Å; N957-N959 PolarHBondContact O-N 3.15Å; N957-H960 WeakPolarHBondContact O-CA 3.47Å; N957-H960 WeakPolarHBondContact O-CB 3.33Å; N957-H960 PolarHBondContact O-N 3.24Å; N957-D961 PolarHBondContact O-N 3.26Å
958	H	61.4	Low	59.6	Low	120 Å²	120	111.3 Å²	111.3	56%	0.556	58%	0.584	S	S	*	*	H	α-helix	trans	-62	-35.2	178.1	-102.4	-46.7	0	0	0	113.1	R954 R955 G962	R954-H958 WeakPolarHBondContact O-CB 3.17Å; R954-H958 PolarHBondContact O-N 3.27Å; R954-H958 VanDerWaalsContact O-N 3.08Å; R955-H958 PolarHBondContact O-N 3.25Å; H958-G962 PolarHBondContact O-N 3.44Å
959	N	56.3	Low	57.3	Low	108 Å²	108	108.9 Å²	108.9	58%	0.578	59%	0.591	S	S	*	*	H	α-helix	trans	-66.6	-38.6	171.5	-75.2	-23.8	0	0	0	111.1	R955 D956 N957 G962 Y963	R955-N959 PolarHBondContact O-N 3.22Å; D956-N959 PolarHBondContact O-N 2.9Å; N957-N959 VanDerWaalsContact C-N 3.29Å; N957-N959 PolarHBondContact O-N 3.15Å; N959-G962 PolarHBondContact O-N 3.07Å; N959-Y963 VanDerWaalsContact O-CD2 3.24Å; N959-Y963 WeakPolarHBondContact O-CD2 3.37Å
960	H	53.5	Low	54.8	Low	145 Å²	145	108.1 Å²	108.1	67%	0.671	60%	0.602	S	S	*	*	H	α-helix	trans	-68.1	-44.8	-179.2	-130.2	-39.2	0	0	0	112.9	D956 N957 G962 Y963	D956-H960 PolarHBondContact O-N 3.12Å; N957-H960 WeakPolarHBondContact O-CA 3.47Å; N957-H960 WeakPolarHBondContact O-CB 3.33Å; N957-H960 PolarHBondContact O-N 3.24Å; H960-G962 PolarHBondContact O-N 3.43Å; H960-Y963 PolarHBondContact O-N 3.11Å
961	D	50.6	Low	52.5	Low	109 Å²	109	109.5 Å²	109.5	58%	0.583	62%	0.624	S	S	*	*	H	α-helix	trans	-63.3	-24.7	175.8	-66.8	-31	0	0	0	112.3	N957 Y963 T964	N957-D961 PolarHBondContact O-N 3.26Å; D961-Y963 VanDerWaalsContact C-N 3.26Å; D961-Y963 PolarHBondContact O-N 3.23Å; D961-T964 PolarHBondContact O-OG1 3.33Å
962	G	43.6	Very low	50.3	Low	55 Å²	55	112.8 Å²	112.8	57%	0.567	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-19.9	176.6	0	0	0	0	0	114.9	H958 N959 H960	H958-G962 PolarHBondContact O-N 3.44Å; N959-G962 PolarHBondContact O-N 3.07Å; H960-G962 PolarHBondContact O-N 3.43Å
963	Y	47.7	Very low	48.9	Very low	207 Å²	207	116.3 Å²	116.3	81%	0.812	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-1.8	-177.9	-78.2	-77.1	0	0	0	114.8	N959 H960 D961	N959-Y963 VanDerWaalsContact O-CD2 3.24Å; N959-Y963 WeakPolarHBondContact O-CD2 3.37Å; H960-Y963 PolarHBondContact O-N 3.11Å; D961-Y963 VanDerWaalsContact C-N 3.26Å; D961-Y963 PolarHBondContact O-N 3.23Å
964	T	38.6	Very low	46.6	Very low	115 Å²	115	118.4 Å²	118.4	71%	0.706	69%	0.685	S	S	*	*	S	Bend	trans	-100.9	16.8	-176.4	33.8	0	0	0	0	115.3	D961	D961-T964 PolarHBondContact O-OG1 3.33Å
965	S	34.7	Very low	44.4	Very low	98 Å²	98	118 Å²	118	69%	0.685	70%	0.7	S	S	*	*	S	Bend	trans	-102	123.6	171.7	-66.8	0	0	0	0	111.5	S967	S965-S967 PolarHBondContact O-N 2.87Å
966	P	39.3	Very low	42.6	Very low	127 Å²	127	120.1 Å²	120.1	83%	0.825	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-64.7	132.5	176.1	-21	32.9	0	0	0	112.4
967	S	33.6	Very low	40.6	Very low	123 Å²	123	120.9 Å²	120.9	86%	0.86	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-78.9	126.9	-177.6	57.9	0	0	0	0	113.2	S965	S965-S967 PolarHBondContact O-N 2.87Å
968	S	32.9	Very low	38.9	Very low	119 Å²	119	121.9 Å²	121.9	83%	0.832	73%	0.728	S	S	*	*			trans	-147.9	131.3	168.8	62.3	0	0	0	0	112.5
969	G	33.2	Very low	37.2	Very low	73 Å²	73	126 Å²	126	75%	0.753	75%	0.745	S	S	*	*			trans	98.3	86.1	156.4	0	0	0	0	0	119.2
970	S	31.7	Very low	36	Very low	119 Å²	119	129.7 Å²	129.7	83%	0.832	76%	0.759	S	S	*	*			trans	34.3	99.6	134.7	58.3	0	0	0	0	122.2
971	A	31.7	Very low	34.7	Very low	88 Å²	88	127.4 Å²	127.4	73%	0.727	77%	0.765	S	S	*	*				39.6	104.8	124.8	0	0	0	0	0	123.7
972	S	31.3	Very low	33.6	Very low	113 Å²	113	134.2 Å²	134.2	79%	0.79	78%	0.782	S	S	*	*				67.9	170.4	125.7	80.5	0	0	0	0	121
973	P	50.1	Low	32.9	Very low	97 Å²	97	136.5 Å²	136.5	63%	0.63	80%	0.795	S	S	*	*			cis	-129.5	-179.2	-9.1	38.6	-21.2	0	0	0	115.6
974	H	28.3	Very low	31.9	Very low	185 Å²	185	130.2 Å²	130.2	86%	0.856	79%	0.794	S	S	*	*			trans	69.3	151.6	166.1	-61	-51.6	0	0	0	118.1
975	S	27	Very low	31.5	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	80%	0.798	S	S	*	*			cis	-143.9	163.2	-5.5	51.5	0	0	0	0	111.6
976	R	31	Very low	31.3	Very low	223 Å²	223	134.9 Å²	134.9	84%	0.842	81%	0.805	S	S	*	*			trans	-75.1	145.7	169.9	-77.8	-178.9	173.5	170.9	-2.3	111.2
977	P	29.5	Very low	30.9	Very low	117 Å²	117	137.1 Å²	137.1	76%	0.76	81%	0.807	S	S	*	*				-106.8	139	129.3	-12.3	30	0	0	0	111.4
978	T	29.8	Very low	30.9	Very low	111 Å²	111	143 Å²	143	68%	0.681	81%	0.81	S	S	*	*			trans	-85.1	133.7	170.5	45.1	0	0	0	0	111.1
979	F	26.5	Very low	30.8	Very low	206 Å²	206	150.1 Å²	150.1	90%	0.904	83%	0.831	S	S	*	*			trans	-119.9	128.6	159.6	-104.3	-89.2	0	0	0	110.4	A981	F979-A981 PolarHBondContact O-N 3.21Å
980	H	30.6	Very low	30.6	Very low	187 Å²	187	154 Å²	154	87%	0.866	84%	0.835	S	S	*	*			trans	-77.5	112.4	179	-85.6	-83.6	0	0	0	111.1
981	A	28	Very low	30.6	Very low	97 Å²	97	155.8 Å²	155.8	80%	0.802	84%	0.835	S	S	*	*			trans	-91.8	116.1	158.9	0	0	0	0	0	109.3	F979 A983	F979-A981 PolarHBondContact O-N 3.21Å; A981-A983 PolarHBondContact O-N 2.81Å
982	R	26.2	Very low	30.5	Very low	252 Å²	252	159.6 Å²	159.6	95%	0.951	84%	0.841	S	S	*	*			trans	-71.1	111	169.4	-94.4	-179	167.5	168.4	-4	109	G984	R982-G984 VanDerWaalsContact C-N 3.29Å; R982-G984 PolarHBondContact O-N 3.1Å
983	A	29.2	Very low	30.5	Very low	102 Å²	102	162.4 Å²	162.4	84%	0.843	84%	0.844	S	S	*	*			trans	-70.9	82	172.4	0	0	0	0	0	111	A981 C985	A981-A983 PolarHBondContact O-N 2.81Å; A983-C985 PolarHBondContact O-N 3.39Å
984	G	26.5	Very low	29.2	Very low	75 Å²	75	166.4 Å²	166.4	77%	0.773	86%	0.857	S	S	*	*			trans	-79.3	65.8	173.5	0	0	0	0	0	112	R982 K986	R982-G984 VanDerWaalsContact C-N 3.29Å; R982-G984 PolarHBondContact O-N 3.1Å; G984-K986 PolarHBondContact O-N 3.22Å; G984-K986 VanDerWaalsContact O-N 3.14Å
985	C	31.2	Very low	29.3	Very low	118 Å²	118	165.2 Å²	165.2	80%	0.797	86%	0.857	S	S	*	*			trans	-72.2	106.2	176.2	-166.1	0	0	0	0	109.9	A983	A983-C985 PolarHBondContact O-N 3.39Å
986	K	29.5	Very low	29.5	Very low	193 Å²	193	169.4 Å²	169.4	84%	0.839	87%	0.865	S	S	*	*			trans	-106.3	125.4	161.1	-85.6	-165	168.8	-166.7	0	108.9	G984	G984-K986 PolarHBondContact O-N 3.22Å; G984-K986 VanDerWaalsContact O-N 3.14Å
987	M	30.6	Very low	29.3	Very low	175 Å²	175	165.2 Å²	165.2	86%	0.862	87%	0.867	S	S	*	*			trans	-64.8	153	166.4	-67.8	170.5	-73.1	0	0	109.5
988	W	35	Very low	29.3	Very low	246 Å²	246	169.3 Å²	169.3	93%	0.932	88%	0.876	S	S	*	*			trans	-88.3	127.6	167.9	-70.7	54	0	0	0	108.1
989	E	29.1	Very low	29.3	Very low	269 Å²	269	174.5 Å²	174.5	100%	1.257	89%	0.893	S	S	*	*			trans	-117.4	0	157.3	-72.9	-173.3	126.1	0	0	107.5

Retrieved 989 of 989 residues in 326.2 ms (Link to these results)

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