A0A5K4FDJ3_SCHMA Loading...

HMG box domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FDJ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,125 aa.

						>A0A5K4FDJ3_SCHMA|A0A5K4FDJ3
MKADPSYIDLLSPCPIYPNPMLAFSSNIPNSGNLFLSDIYKDLKPLTCNGVTITTTTTTATVATTATTTTTTPTPNCTSILGELSTPSTYTSNFSSIYCTSSNSSFISPTVTSATTLTLNDTSSTIMTKIFDLLETICRSKHLSFEEKLKILMNIAEYVIKFYEYLTHSDTTYTFSQDHETPLNLTQPKMLNKETNNNVSSSESSSFLYHFNQQNSPDQSIKSSKQSFLSSTPDSNISINLINQIPQSIPWLQKSDPLSNGLTCTSNGNTDVTLSESNLTSSFNWLSLFSDGKELPNWLLEQIIPTSEKMKIHSISQSNDVITETMLNYLKFYYSKLSTHESPYDPHHQPHPPPPPHHHHQNHHLSQQQIQLENEYLTQMKKFIKLSNQEYTTNNKLLINNDDNHQLLRNDIDPIDKKSIIQKSLISNTINQLHEIIDQTKCIFSKDQTIPVTMTTQTSENMISDNISLNGSIFNKNDGDNQSLSTYLSSSSSVSAGASAAAAAAAAAVAASAVLGLSSSMEYQHSNQANTTTNNSSSFVSFNEKLKSISETNNNQYGFPIQSIYNNNHNNPGGILLMDTKLSTIQPPINNITSLVSNHSKLIEKDDPLLNDDPNHNNHSNISLSNGITYHQSIFYNPTINTTNNDHVSNNDPFYLTQNSNELCNQHITSLSKLTNYNLTNISDPINVNLNLINTVLPSNDPDHHPQHHQDHQHPRTNPNTTSTTNINEDNDSLNENDEIFNHKLSISTTYNDIDNHEKHYHYSINQYPYTNQSIKKKNLEQLKRLKTSYYHRNENIEGEEEQEGEDEEEGEGNEFDYEIIQKTQSIQQYQTQMKSQRTTKSNLDQRNDKSSSHIKRPMNAFMIWARDERRKILKACPDMHNSSISKFLGAKWKSMSAEVKQPYYEEQARLSRQHMEEHPAYRYRPRPKRTCIVDGRKLRISEYKELMRSRGDSTRRQWISSTDEQAQKIVEDILDNTLSSIPQLSPSLSSINGYDGESISSNKNDNITQTISVMYSEQSTINRNGPIAEKEEEEGEEKRREKIKQENESMQPKTVSNGETDHVAMAANEEREEKQKEGQSSIETCAIEFDNDKDNNNMCLNNSSIYHNGSSSLCNQSIHETIIE
					

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	27.8	Very low	28.6	Very low	122 Å²	122	132.5 Å²	132.5	60%	0.601	71%	0.714	S	S	*	*				0	109.8	0	-73.8	-173.4	146.9	0	0	106.5	H792 N796	M1-H792 WeakPolarHBondContact CB-O 3.42Å; M1-H792 PolarHBondContact N-CE1 3.31Å; M1-H792 PolarHBondContact N-NE2 3Å; M1-H792 PolarHBondContact O-CE1 2.68Å; M1-H792 PolarHBondContact O-ND1 3.17Å; M1-N796 VanDerWaalsContact CA-OD1 3.24Å; M1-N796 WeakPolarHBondContact CA-OD1 3.32Å; M1-N796 HydrophobicContact CB-CB 3.88Å; M1-N796 WeakPolarHBondContact CB-OD1 3.4Å; M1-N796 HydrophobicContact CE-CB 4.22Å; M1-N796 HydrophobicContact CG-CB 4.03Å; M1-N796 WeakPolarHBondContact CG-OD1 3.46Å; M1-N796 HydrophobicContact SD-CB 3.83Å
2	K	26.5	Very low	28.6	Very low	107 Å²	107	130.8 Å²	130.8	47%	0.465	72%	0.721	S	S	.	*			cis	-134.7	113.4	-3.1	-150.8	173.9	-176.8	-179.7	0	105.2	N796 G799 E800	K2-N796 WeakPolarHBondContact CB-OD1 3.47Å; K2-N796 WeakPolarHBondContact CG-OD1 3.17Å; K2-G799 PolarHBondContact NZ-O 3.05Å; K2-E800 IonicContact NZ-OE1 2.79Å; K2-E800 PolarHBondContact NZ-OE1 3.47Å
3	A	29.7	Very low	28.9	Very low	101 Å²	101	130.2 Å²	130.2	84%	0.835	73%	0.726	S	S	*	*			trans	-158.3	100.8	-175.2	0	0	0	0	0	114
4	D	28.5	Very low	28.6	Very low	123 Å²	123	128.9 Å²	128.9	66%	0.658	73%	0.729	S	S	*	*			trans	35.4	114.1	157	-142.2	-38.3	0	0	0	122	S6	D4-S6 PolarHBondContact O-N 3Å; D4-S6 VanDerWaalsContact OD1-CB 3.29Å; D4-S6 WeakPolarHBondContact OD1-CB 3.24Å; D4-S6 PolarHBondContact OD1-N 2.85Å; D4-S6 PolarHBondContact OD1-OG 3.35Å
5	P	29.3	Very low	29	Very low	134 Å²	134	127.2 Å²	127.2	87%	0.87	73%	0.725	S	S	*	*	S	Bend	trans	-78.2	-1.7	169.4	-14.1	30.8	0	0	0	116.4
6	S	32.6	Very low	29.2	Very low	86 Å²	86	129 Å²	129	60%	0.601	73%	0.73	S	S	*	*			trans	-109.4	37.7	-158.3	72.2	0	0	0	0	117.6	D4	D4-S6 PolarHBondContact O-N 3Å; D4-S6 VanDerWaalsContact OD1-CB 3.29Å; D4-S6 WeakPolarHBondContact OD1-CB 3.24Å; D4-S6 PolarHBondContact OD1-N 2.85Å; D4-S6 PolarHBondContact OD1-OG 3.35Å
7	Y	30.4	Very low	29.1	Very low	210 Å²	210	133.1 Å²	133.1	82%	0.824	73%	0.733	S	S	*	*			trans	-143.4	112.2	156.3	-134.1	-84.8	0	0	0	113.5
8	I	27.4	Very low	29.3	Very low	137 Å²	137	132.2 Å²	132.2	70%	0.703	73%	0.734	S	S	*	*			trans	-115.3	111.4	173.9	-63.4	173.5	0	0	0	108.4	L10	I8-L10 HydrophobicContact CG2-CG 4.32Å
9	D	29.5	Very low	29	Very low	125 Å²	125	132.9 Å²	132.9	67%	0.668	74%	0.736	S	S	*	*			trans	-158.8	97.5	154.1	-96.1	-38	0	0	0	106
10	L	26	Very low	29.2	Very low	140 Å²	140	132.6 Å²	132.6	73%	0.733	74%	0.741	S	S	*	*				67.5	128.1	81.1	-64.4	173.4	0	0	0	113.3	I8	I8-L10 HydrophobicContact CG2-CG 4.32Å
11	L	26.6	Very low	29	Very low	172 Å²	172	134.1 Å²	134.1	90%	0.901	74%	0.744	S	S	*	*			trans	92	64.6	175.7	-54.9	167.7	0	0	0	119.4
12	S	28.8	Very low	29	Very low	113 Å²	113	136.4 Å²	136.4	79%	0.79	76%	0.758	S	S	*	*			trans	-171.5	121.7	139.4	-86.1	0	0	0	0	112.8
13	P	32.2	Very low	29.2	Very low	122 Å²	122	134.2 Å²	134.2	79%	0.792	76%	0.76	S	S	*	*			trans	-85.2	126.6	177.7	32.1	-32.3	0	0	0	112.8
14	C	24.8	Very low	29.1	Very low	113 Å²	113	138.7 Å²	138.7	76%	0.764	76%	0.76	S	S	*	*			trans	-115.7	103.7	170.6	-75.4	0	0	0	0	110.8	I16	C14-I16 PolarHBondContact O-N 2.89Å
15	P	34.6	Very low	29	Very low	103 Å²	103	138.3 Å²	138.3	67%	0.669	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-74.8	119.2	179.5	28.3	-32.7	0	0	0	111.9
16	I	33.1	Very low	28.9	Very low	156 Å²	156	135.9 Å²	135.9	80%	0.8	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-86.4	141.2	176.1	-66	172.3	0	0	0	109.9	C14 P18	C14-I16 PolarHBondContact O-N 2.89Å; I16-P18 WeakPolarHBondContact O-CD 3.48Å
17	Y	26.1	Very low	28.8	Very low	199 Å²	199	138.7 Å²	138.7	78%	0.78	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-63.3	123.9	174.5	-107.5	-98.8	0	0	0	111.8
18	P	33.5	Very low	28.7	Very low	116 Å²	116	135.8 Å²	135.8	75%	0.753	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-78.4	141.1	170.4	32	-33.2	0	0	0	111.1	I16	I16-P18 WeakPolarHBondContact O-CD 3.48Å
19	N	24.5	Very low	28.9	Very low	147 Å²	147	133.9 Å²	133.9	79%	0.786	76%	0.756	S	S	*	*			trans	-138.6	100.3	177.6	-176.4	18.4	0	0	0	110.1	M21	N19-M21 PolarHBondContact O-N 2.79Å
20	P	31.3	Very low	28.8	Very low	126 Å²	126	135 Å²	135	82%	0.818	76%	0.761	S	S	*	*			trans	-82.5	107.5	-174.1	31.1	-32.8	0	0	0	112.1
21	M	25.7	Very low	28.8	Very low	164 Å²	164	133.7 Å²	133.7	81%	0.808	76%	0.764	S	S	*	*			trans	-131.9	126.1	164	-97.6	-122.7	69.7	0	0	109.6	N19	N19-M21 PolarHBondContact O-N 2.79Å
22	L	28.9	Very low	28.8	Very low	171 Å²	171	128.7 Å²	128.7	90%	0.895	76%	0.755	S	S	*	*			trans	166.8	154.6	157.3	-92.8	164.9	0	0	0	106.3
23	A	29.3	Very low	28.7	Very low	61 Å²	61	129.9 Å²	129.9	50%	0.504	75%	0.752	S	S	.	*			cis	-144.6	177.8	17.1	0	0	0	0	0	113.2
24	F	28.9	Very low	28.3	Very low	194 Å²	194	131 Å²	131	85%	0.851	75%	0.751	S	S	*	*			trans	69.8	115	173	-47.8	-70.8	0	0	0	114.9
25	S	24.7	Very low	28.3	Very low	115 Å²	115	135.1 Å²	135.1	80%	0.804	76%	0.756	S	S	*	*			cis	73.2	132.3	43.9	-150	0	0	0	0	111.7
26	S	28.5	Very low	28	Very low	84 Å²	84	137.7 Å²	137.7	59%	0.587	76%	0.763	S	S	*	*			cis	-158.6	157.9	13.9	56.6	0	0	0	0	112.7
27	N	29.3	Very low	27.7	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	76%	0.757	S	S	*	*			trans	62.6	160	147.6	-66.8	-0.6	0	0	0	118.6
28	I	28.9	Very low	27.8	Very low	149 Å²	149	131.7 Å²	131.7	76%	0.764	75%	0.754	S	S	*	*			cis	-159.9	160.4	-35.1	-119.6	162.9	0	0	0	106.1
29	P	31.1	Very low	27.5	Very low	97 Å²	97	134 Å²	134	63%	0.63	76%	0.758	S	S	*	*			trans	-99.1	162.6	-156.3	38.2	-37.9	0	0	0	116.1
30	N	28	Very low	27.6	Very low	148 Å²	148	136.3 Å²	136.3	79%	0.791	76%	0.757	S	S	*	*				171.8	144.5	116.8	-90.1	-18.5	0	0	0	114.5
31	S	25.2	Very low	27.6	Very low	113 Å²	113	139.5 Å²	139.5	79%	0.79	76%	0.758	S	S	*	*			trans	-5.8	135.3	157.8	58	0	0	0	0	120.2
32	G	26.6	Very low	27.7	Very low	68 Å²	68	139.2 Å²	139.2	70%	0.701	76%	0.76	S	S	*	*			trans	152.5	99	142.7	0	0	0	0	0	118.2
33	N	26.9	Very low	27.6	Very low	138 Å²	138	139.6 Å²	139.6	74%	0.738	76%	0.762	S	S	*	*			trans	68.8	142.3	145.7	-96.2	-18	0	0	0	121.8
34	L	25.4	Very low	27.6	Very low	145 Å²	145	145.6 Å²	145.6	76%	0.759	78%	0.777	S	S	*	*			trans	69.6	99.9	148.3	-62.7	165.1	0	0	0	119.4	L36	L34-L36 PolarHBondContact O-N 2.99Å
35	F	24.4	Very low	27.6	Very low	199 Å²	199	141.6 Å²	141.6	87%	0.873	77%	0.77	S	S	*	*			trans	-1.8	113.7	135	-72.4	-104.4	0	0	0	116.7
36	L	27.8	Very low	27.7	Very low	157 Å²	157	143.3 Å²	143.3	82%	0.822	77%	0.77	S	S	*	*				-169.2	154.4	123.8	-124.8	65.3	0	0	0	114.9	L34 D38	L34-L36 PolarHBondContact O-N 2.99Å; L36-D38 PolarHBondContact O-N 3.43Å
37	S	27.1	Very low	27.6	Very low	97 Å²	97	144.5 Å²	144.5	68%	0.678	77%	0.774	S	S	*	*	S	Bend	trans	52.6	-39.8	155.3	60	0	0	0	0	124.9	I39	S37-I39 PolarHBondContact O-N 3.41Å
38	D	27.3	Very low	27.5	Very low	133 Å²	133	141.6 Å²	141.6	71%	0.711	76%	0.763	S	S	*	*			trans	-91.9	3.7	-146.1	-77.7	8.1	0	0	0	119.2	L36 Y40	L36-D38 PolarHBondContact O-N 3.43Å; D38-Y40 PolarHBondContact O-N 3.41Å
39	I	27	Very low	27.4	Very low	164 Å²	164	141.3 Å²	141.3	84%	0.841	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	59.8	-176.6	-41.6	-179.1	0	0	0	112.9	S37	S37-I39 PolarHBondContact O-N 3.41Å
40	Y	27.2	Very low	27.3	Very low	196 Å²	196	140.3 Å²	140.3	77%	0.769	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142	12.5	179.7	-106.5	-73.6	0	0	0	116.5	D38	D38-Y40 PolarHBondContact O-N 3.41Å
41	K	30.7	Very low	27.4	Very low	193 Å²	193	138.3 Å²	138.3	84%	0.839	76%	0.763	S	S	*	*	S	Bend	trans	-122.4	-20.9	-174.4	-75.3	179.2	178.5	168.3	0	118.5
42	D	27.7	Very low	27.5	Very low	158 Å²	158	137.9 Å²	137.9	85%	0.845	76%	0.756	S	S	*	*			trans	-105.4	8.5	-168.7	-74.2	-55.5	0	0	0	117.1	K44	D42-K44 PolarHBondContact O-N 3.41Å
43	L	26.9	Very low	27.5	Very low	178 Å²	178	141.6 Å²	141.6	93%	0.932	76%	0.759	S	S	*	*			trans	-79	84.6	173.6	-77.1	173	0	0	0	111.9
44	K	30.3	Very low	27.6	Very low	188 Å²	188	140.9 Å²	140.9	82%	0.817	76%	0.76	S	S	*	*			trans	-58.7	136.9	166.1	-84.8	179.5	175.5	171.9	0	111	D42 L46	D42-K44 PolarHBondContact O-N 3.41Å; K44-L46 PolarHBondContact O-N 3.33Å
45	P	28.1	Very low	27.7	Very low	109 Å²	109	140.3 Å²	140.3	71%	0.708	76%	0.762	S	S	*	*			trans	-70	127.9	178.9	28.1	-34.1	0	0	0	111.7	T47	P45-T47 PolarHBondContact O-N 3.39Å
46	L	26.8	Very low	27.9	Very low	152 Å²	152	137 Å²	137	80%	0.796	76%	0.759	S	S	*	*			trans	-78.9	102.7	172.7	-88.6	146.1	0	0	0	110.4	K44 T186	K44-L46 PolarHBondContact O-N 3.33Å; L46-T186 HydrophobicContact CD1-CG2 4.07Å
47	T	27	Very low	27.9	Very low	109 Å²	109	134.7 Å²	134.7	67%	0.669	75%	0.751	S	S	*	*			trans	-77.2	124.2	174	52.2	0	0	0	0	111.4	P45	P45-T47 PolarHBondContact O-N 3.39Å
48	C	27	Very low	28	Very low	82 Å²	82	136 Å²	136	55%	0.554	76%	0.755	S	S	*	*			trans	-127.6	133.4	165.7	-173.7	0	0	0	0	108.8	G50	C48-G50 VanDerWaalsContact C-N 3.3Å; C48-G50 PolarHBondContact O-N 2.93Å
49	N	27.6	Very low	28	Very low	144 Å²	144	136 Å²	136	77%	0.77	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.8	36.8	177.4	-62.3	-6.3	0	0	0	116.3	V51	N49-V51 PolarHBondContact O-N 3.23Å
50	G	29.1	Very low	28.1	Very low	76 Å²	76	132.6 Å²	132.6	78%	0.784	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.9	10.8	158.4	0	0	0	0	0	117.8	C48	C48-G50 VanDerWaalsContact C-N 3.3Å; C48-G50 PolarHBondContact O-N 2.93Å
51	V	28.6	Very low	28.3	Very low	105 Å²	105	130 Å²	130	64%	0.636	76%	0.761	S	S	*	*			trans	-113.4	118.6	176.5	-177.5	0	0	0	0	110.4	N49 I53	N49-V51 PolarHBondContact O-N 3.23Å; V51-I53 HydrophobicContact CG1-CG1 4.21Å
52	T	27.4	Very low	28.2	Very low	105 Å²	105	127.3 Å²	127.3	64%	0.644	76%	0.761	S	S	*	*			trans	-95.2	127.5	175.9	-54.8	0	0	0	0	110
53	I	27.4	Very low	28.4	Very low	145 Å²	145	124 Å²	124	74%	0.744	76%	0.755	S	S	*	*			trans	-127.1	111.4	171.2	-54.9	-179	0	0	0	108.3	V51	V51-I53 HydrophobicContact CG1-CG1 4.21Å
54	T	28.1	Very low	28.6	Very low	124 Å²	124	120.8 Å²	120.8	76%	0.761	74%	0.743	S	S	*	*			trans	-92.7	125	172.8	42.7	0	0	0	0	110.6
55	T	29	Very low	28.6	Very low	132 Å²	132	118.4 Å²	118.4	81%	0.81	74%	0.744	S	S	*	*			trans	-106.8	116.1	167.5	31.4	0	0	0	0	110.2
56	T	28	Very low	28.8	Very low	131 Å²	131	117.3 Å²	117.3	80%	0.804	75%	0.745	S	S	*	*			trans	-79.2	124.1	176.3	44.4	0	0	0	0	111.1
57	T	27.4	Very low	29.1	Very low	108 Å²	108	116.1 Å²	116.1	66%	0.663	74%	0.744	S	S	*	*			trans	-87.1	118.5	171.1	-10.1	0	0	0	0	109.7
58	T	28.7	Very low	29.5	Very low	125 Å²	125	116.5 Å²	116.5	77%	0.767	75%	0.746	S	S	*	*			trans	-100.1	103	177.5	-53.3	0	0	0	0	110
59	T	28.3	Very low	30	Very low	133 Å²	133	118.2 Å²	118.2	82%	0.816	75%	0.754	S	S	*	*			trans	-86.4	122.4	165.9	43.2	0	0	0	0	109.8
60	A	29.5	Very low	30.6	Very low	91 Å²	91	117.2 Å²	117.2	75%	0.752	75%	0.754	S	S	*	*			trans	-130.7	101.1	175.6	0	0	0	0	0	109.9
61	T	31.8	Very low	30.8	Very low	143 Å²	143	118.9 Å²	118.9	88%	0.877	75%	0.749	S	S	*	*			trans	-78.6	145.5	177.5	-4	0	0	0	0	111.4	A63	T61-A63 PolarHBondContact O-N 3.3Å
62	V	27.5	Very low	31.5	Very low	136 Å²	136	117.5 Å²	117.5	82%	0.824	74%	0.74	S	S	*	*			trans	-81.4	110.9	-179.5	178.8	0	0	0	0	111.5
63	A	31.2	Very low	31.8	Very low	88 Å²	88	116.5 Å²	116.5	73%	0.727	74%	0.736	S	S	*	*			trans	-158.3	100	156.7	0	0	0	0	0	107.7	T61	T61-A63 PolarHBondContact O-N 3.3Å
64	T	32	Very low	32.1	Very low	111 Å²	111	112.6 Å²	112.6	68%	0.681	72%	0.719	S	S	*	*				74.9	103.6	71.7	-55.3	0	0	0	0	113.6
65	T	30.8	Very low	32.9	Very low	137 Å²	137	112.9 Å²	112.9	84%	0.84	72%	0.723	S	S	*	*			trans	71.3	149.2	160.1	54.2	0	0	0	0	122
66	A	32.5	Very low	33.5	Very low	87 Å²	87	113.7 Å²	113.7	72%	0.719	72%	0.722	S	S	*	*			trans	83.5	74.6	160.1	0	0	0	0	0	119
67	T	32.7	Very low	33.5	Very low	127 Å²	127	111.9 Å²	111.9	78%	0.779	71%	0.713	S	S	*	*				57.4	127.3	97.4	3	0	0	0	0	119.1
68	T	34.9	Very low	33.8	Very low	117 Å²	117	112.1 Å²	112.1	72%	0.718	72%	0.715	S	S	*	*			trans	61.6	137.9	145.7	43.3	0	0	0	0	120.9
69	T	37.3	Very low	34	Very low	118 Å²	118	108.9 Å²	108.9	72%	0.724	70%	0.697	S	S	*	*			cis	-161.7	156.2	-15	-0.7	0	0	0	0	111.6
70	T	39.7	Very low	34.4	Very low	123 Å²	123	108.7 Å²	108.7	76%	0.755	69%	0.69	S	S	*	*			trans	-17.7	142.8	157.9	54.3	0	0	0	0	120.9
71	T	35	Very low	34.6	Very low	111 Å²	111	112 Å²	112	68%	0.681	69%	0.694	S	S	*	*				-150.9	149	122.4	22.6	0	0	0	0	111.9
72	T	42.9	Very low	34.8	Very low	75 Å²	75	108.5 Å²	108.5	46%	0.46	69%	0.687	S	S	.	*			trans	-92.3	164.7	176.6	47.6	0	0	0	0	112	T74 C77 T78 S79	T72-T74 HydrophobicContact CG2-CG2 4.09Å; T72-C77 PolarHBondContact OG1-O 3.06Å; T72-T78 CarbonylContact O-C 3.58Å; T72-S79 WeakPolarHBondContact O-CA 3.04Å; T72-S79 PolarHBondContact O-N 2.59Å
73	P	32.3	Very low	35	Very low	85 Å²	85	110.2 Å²	110.2	55%	0.552	69%	0.686	S	S	*	*				-144.5	127.8	88.8	39.8	-24.9	0	0	0	113.9	C77	P73-C77 WeakPolarHBondContact CA-O 3.3Å
74	T	34.9	Very low	34.9	Very low	63 Å²	63	113 Å²	113	39%	0.387	69%	0.688	S	S	.	*				53.8	125.7	62.7	74	0	0	0	0	115.6	T72 N76 C77	T72-T74 HydrophobicContact CG2-CG2 4.09Å; T74-N76 WeakPolarHBondContact CB-O 3.44Å; T74-N76 VanDerWaalsContact CG2-O 3.23Å; T74-N76 WeakPolarHBondContact CG2-O 3.09Å; T74-N76 PolarHBondContact OG1-O 2.84Å; T74-C77 HydrophobicContact CG2-CB 4.42Å; T74-C77 WeakPolarHBondContact OG1-CA 3.29Å; T74-C77 PolarHBondContact OG1-N 2.89Å; T74-C77 PolarHBondContact OG1-O 2.84Å
75	P	43.8	Very low	35	Very low	129 Å²	129	112.7 Å²	112.7	84%	0.838	69%	0.69	S	S	*	*	S	Bend		-62.4	116.9	121.9	-5.4	24.1	0	0	0	107.6
76	N	41.4	Very low	35	Very low	150 Å²	150	112.3 Å²	112.3	80%	0.802	69%	0.688	S	S	*	*	S	Bend	trans	77.7	92.2	-172.5	-50.7	-28.6	0	0	0	116.9	T74	T74-N76 WeakPolarHBondContact CB-O 3.44Å; T74-N76 VanDerWaalsContact CG2-O 3.23Å; T74-N76 WeakPolarHBondContact CG2-O 3.09Å; T74-N76 PolarHBondContact OG1-O 2.84Å
77	C	28.4	Very low	35	Very low	92 Å²	92	114.2 Å²	114.2	62%	0.622	69%	0.693	S	S	*	*	S	Bend	trans	109.1	86.5	172.9	-60.7	0	0	0	0	119.6	T72 P73 T74	T72-C77 PolarHBondContact OG1-O 3.06Å; P73-C77 WeakPolarHBondContact CA-O 3.3Å; T74-C77 HydrophobicContact CG2-CB 4.42Å; T74-C77 WeakPolarHBondContact OG1-CA 3.29Å; T74-C77 PolarHBondContact OG1-N 2.89Å; T74-C77 PolarHBondContact OG1-O 2.84Å
78	T	33.4	Very low	35	Very low	114 Å²	114	113.3 Å²	113.3	70%	0.699	69%	0.691	S	S	*	*			trans	-41.3	158.4	167.4	46.1	0	0	0	0	118.5	T72	T72-T78 CarbonylContact O-C 3.58Å
79	S	33.6	Very low	34.6	Very low	56 Å²	56	113.3 Å²	113.3	39%	0.392	69%	0.692	S	S	.	*			cis	-173.7	165.6	-16.8	53.8	0	0	0	0	112.7	T72	T72-S79 WeakPolarHBondContact O-CA 3.04Å; T72-S79 PolarHBondContact O-N 2.59Å
80	I	36.5	Very low	34.3	Very low	129 Å²	129	117.8 Å²	117.8	66%	0.662	70%	0.697	S	S	*	*			trans	73.3	137.2	164	-64.2	162.2	0	0	0	115
81	L	33.9	Very low	33.9	Very low	160 Å²	160	117.1 Å²	117.1	84%	0.838	69%	0.692	S	S	*	*			cis	111.2	110.9	3.9	-160.3	-177.7	0	0	0	115.5
82	G	35.9	Very low	33.8	Very low	70 Å²	70	116.7 Å²	116.7	72%	0.722	69%	0.694	S	S	*	*			trans	96.1	165.5	169.5	0	0	0	0	0	115.5
83	E	31.1	Very low	33.4	Very low	172 Å²	172	119.4 Å²	119.4	80%	0.804	71%	0.706	S	S	*	*			cis	-172.1	162.7	-24.8	-139.9	177.5	-143.8	0	0	109.9
84	L	30.9	Very low	33.4	Very low	147 Å²	147	124 Å²	124	77%	0.77	72%	0.718	S	S	*	*			trans	63.6	160.8	168.6	-90.9	57.7	0	0	0	116.9
85	S	32.7	Very low	33.3	Very low	104 Å²	104	125.5 Å²	125.5	73%	0.727	73%	0.73	S	S	*	*			cis	-150.9	174.4	10.7	-127.6	0	0	0	0	114.4
86	T	30.5	Very low	32.6	Very low	130 Å²	130	124 Å²	124	80%	0.798	72%	0.723	S	S	*	*			trans	-69.7	166.4	-169.3	46.8	0	0	0	0	119.2
87	P	34.1	Very low	32.1	Very low	126 Å²	126	124 Å²	124	82%	0.818	72%	0.722	S	S	*	*			trans	-97.6	174.5	-177.4	40.4	-38.3	0	0	0	116.1
88	S	31.5	Very low	32.2	Very low	108 Å²	108	129.2 Å²	129.2	76%	0.755	73%	0.73	S	S	*	*			trans	-153.6	133	160.6	57.5	0	0	0	0	109.3
89	T	27.6	Very low	31.8	Very low	118 Å²	118	128.7 Å²	128.7	72%	0.724	73%	0.729	S	S	*	*				93.2	150.5	64.4	-52.6	0	0	0	0	112.8	T91	T89-T91 HydrophobicContact CG2-CG2 4.46Å
90	Y	31.1	Very low	31.5	Very low	212 Å²	212	132.2 Å²	132.2	83%	0.831	75%	0.749	S	S	*	*			trans	105.2	86.1	-177.6	-73.6	-83.3	0	0	0	114.2
91	T	29.9	Very low	31.1	Very low	108 Å²	108	130.9 Å²	130.9	66%	0.663	75%	0.751	S	S	*	*				91.5	160.3	53.1	65.6	0	0	0	0	114.7	T89	T89-T91 HydrophobicContact CG2-CG2 4.46Å
92	S	34.2	Very low	30.8	Very low	103 Å²	103	128.2 Å²	128.2	72%	0.72	75%	0.745	S	S	*	*			trans	86.7	132.4	178.2	77.3	0	0	0	0	115.4
93	N	33	Very low	30.4	Very low	132 Å²	132	132 Å²	132	71%	0.706	75%	0.749	S	S	*	*			cis	-151.8	148.7	-2.8	-100.7	-13.3	0	0	0	113.4
94	F	33	Very low	30.3	Very low	182 Å²	182	128.6 Å²	128.6	80%	0.798	74%	0.744	S	S	*	*			trans	21.2	151.6	144.7	-58.2	-63.8	0	0	0	122.4
95	S	32.1	Very low	30	Very low	93 Å²	93	126.2 Å²	126.2	65%	0.65	74%	0.74	S	S	*	*			cis	-161.8	150.2	-2.3	-100.6	0	0	0	0	107.3
96	S	29.9	Very low	29.8	Very low	98 Å²	98	130.1 Å²	130.1	69%	0.685	74%	0.744	S	S	*	*			cis	77.7	114.9	43.2	-164.8	0	0	0	0	115.5
97	I	31	Very low	29.7	Very low	150 Å²	150	130.8 Å²	130.8	77%	0.769	74%	0.742	S	S	*	*				171.5	130.9	121.9	-87.5	165.6	0	0	0	113.7
98	Y	30.9	Very low	29.3	Very low	202 Å²	202	129.9 Å²	129.9	79%	0.792	74%	0.738	S	S	*	*			trans	4.5	134	158.9	-68.4	-95.6	0	0	0	125.3
99	C	24.4	Very low	29.4	Very low	103 Å²	103	129.9 Å²	129.9	70%	0.696	74%	0.736	S	S	*	*				19.4	134.3	122.6	-47.2	0	0	0	0	120.9
100	T	27.3	Very low	29.3	Very low	129 Å²	129	130.9 Å²	130.9	79%	0.791	74%	0.742	S	S	*	*				-178	150.2	90.3	37.3	0	0	0	0	113.9
101	S	27.8	Very low	29.1	Very low	101 Å²	101	126.7 Å²	126.7	71%	0.706	74%	0.738	S	S	*	*			trans	52.6	126.5	146.8	64.4	0	0	0	0	123.5
102	S	28.8	Very low	29	Very low	104 Å²	104	127.1 Å²	127.1	73%	0.727	74%	0.741	S	S	*	*			trans	81.2	109	136.7	-57.1	0	0	0	0	122.4
103	N	26.1	Very low	28.7	Very low	149 Å²	149	128 Å²	128	80%	0.797	75%	0.747	S	S	*	*			trans	71.9	143.8	135.6	-65.4	-3.2	0	0	0	123.5
104	S	28.8	Very low	28.3	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	75%	0.753	S	S	*	*			trans	60.6	86.7	148.3	54.8	0	0	0	0	120.9
105	S	26	Very low	28	Very low	98 Å²	98	124.1 Å²	124.1	69%	0.685	75%	0.753	S	S	*	*				64	142.5	114.2	65.4	0	0	0	0	123.3
106	F	28.2	Very low	27.7	Very low	185 Å²	185	126.2 Å²	126.2	81%	0.811	76%	0.762	S	S	*	*			trans	88.8	118.8	162.4	-69.2	-79.2	0	0	0	120.2
107	I	28.5	Very low	27.6	Very low	145 Å²	145	128.9 Å²	128.9	74%	0.744	77%	0.768	S	S	*	*			trans	71.5	93.8	145.1	-56	164.1	0	0	0	118.8
108	S	24.3	Very low	27.7	Very low	106 Å²	106	126.4 Å²	126.4	74%	0.741	76%	0.76	S	S	*	*				26.9	164.3	112.9	-48.3	0	0	0	0	122.1
109	P	34	Very low	27.9	Very low	109 Å²	109	121.1 Å²	121.1	71%	0.708	75%	0.745	S	S	*	*			cis	-140	162.4	-46.4	39.3	-24.1	0	0	0	113.5
110	T	26.9	Very low	28.8	Very low	139 Å²	139	121.6 Å²	121.6	85%	0.853	74%	0.741	S	S	*	*			trans	-169.5	143.5	152.6	4.4	0	0	0	0	114.5
111	V	26.4	Very low	29.9	Very low	124 Å²	124	120.2 Å²	120.2	75%	0.752	73%	0.729	S	S	*	*			trans	25.1	130.8	156.5	-137.8	0	0	0	0	118.1
112	T	26.7	Very low	31.5	Very low	117 Å²	117	119.2 Å²	119.2	72%	0.718	72%	0.718	S	S	*	*				-175.9	142.8	72.9	-59.1	0	0	0	0	114.6
113	S	27.8	Very low	32.8	Very low	121 Å²	121	114.9 Å²	114.9	85%	0.846	69%	0.688	S	S	*	*			trans	66.7	145.6	163.1	-71.4	0	0	0	0	120.1
114	A	26	Very low	34.3	Very low	101 Å²	101	110.3 Å²	110.3	84%	0.835	67%	0.668	S	S	*	*			trans	-121.8	156.5	-177.6	0	0	0	0	0	112
115	T	26.6	Very low	36.1	Very low	131 Å²	131	108.8 Å²	108.8	80%	0.804	65%	0.654	S	S	*	*			trans	-108.8	119.7	173.4	-50.9	0	0	0	0	109.5	L117	T115-L117 PolarHBondContact O-N 3.14Å
116	T	25.6	Very low	38.1	Very low	137 Å²	137	106.4 Å²	106.4	84%	0.84	63%	0.633	S	S	*	*			trans	-73.4	112	177.1	48	0	0	0	0	111.1
117	L	27.6	Very low	39.8	Very low	154 Å²	154	97.9 Å²	97.9	81%	0.806	60%	0.596	S	S	*	*			trans	-78.6	136	172.9	-77.6	166.6	0	0	0	111.3	T115 L119	T115-L117 PolarHBondContact O-N 3.14Å; L117-L119 VanDerWaalsContact C-N 3.3Å; L117-L119 PolarHBondContact O-N 2.97Å
118	T	32.3	Very low	41.6	Very low	98 Å²	98	94.2 Å²	94.2	60%	0.601	58%	0.58	S	S	*	*			trans	-78	73.6	-179.1	49.8	0	0	0	0	111.9	N120 D121	T118-N120 PolarHBondContact O-N 2.93Å; T118-D121 PolarHBondContact O-N 3.46Å; T118-D121 PolarHBondContact OG1-OD2 2.82Å
119	L	36.3	Very low	43.8	Very low	91 Å²	91	96 Å²	96	48%	0.476	58%	0.575	S	S	.	*	H	α-helix	trans	-56.1	-25.1	-173.1	-144.4	81.4	0	0	0	114.6	L117 T122 S123 L166	L117-L119 VanDerWaalsContact C-N 3.3Å; L117-L119 PolarHBondContact O-N 2.97Å; L119-T122 PolarHBondContact O-OG1 3.44Å; L119-S123 VanDerWaalsContact O-CB 3.32Å; L119-S123 WeakPolarHBondContact O-CB 3.24Å; L119-S123 PolarHBondContact O-N 3.41Å; L119-S123 PolarHBondContact O-OG 3.47Å; L119-L166 HydrophobicContact CD2-CD2 4.04Å; L119-L166 HydrophobicContact CG-CD2 4.42Å
120	N	43.5	Very low	45.3	Very low	113 Å²	113	91.3 Å²	91.3	60%	0.604	54%	0.544	S	S	*	.	H	α-helix	trans	-71.6	-38.1	-177	-68.8	3.1	0	0	0	112.8	T118 S123 S124	T118-N120 PolarHBondContact O-N 2.93Å; N120-S123 PolarHBondContact O-N 2.86Å; N120-S124 VanDerWaalsContact O-CB 3.23Å; N120-S124 WeakPolarHBondContact O-CB 3.42Å; N120-S124 PolarHBondContact O-N 3.14Å
121	D	49.8	Very low	47.1	Very low	101 Å²	101	86.3 Å²	86.3	54%	0.54	51%	0.51	S	S	.	.	H	α-helix	trans	-71.3	-42	-174.1	-62.7	-39.9	0	0	0	111.7	T118 T125	T118-D121 PolarHBondContact O-N 3.46Å; T118-D121 PolarHBondContact OG1-OD2 2.82Å; D121-T125 VanDerWaalsContact O-CB 3.29Å; D121-T125 WeakPolarHBondContact O-CB 3.43Å; D121-T125 PolarHBondContact O-N 2.63Å; D121-T125 PolarHBondContact O-OG1 2.66Å
122	T	61.8	Low	49.2	Very low	80 Å²	80	83.5 Å²	83.5	49%	0.491	49%	0.491	S	S	.	.	H	α-helix	trans	-66	-42.5	175.2	48.8	0	0	0	0	111.2	L119 T125 I126	L119-T122 PolarHBondContact O-OG1 3.44Å; T122-T125 PolarHBondContact O-N 2.77Å; T122-I126 WeakPolarHBondContact O-CB 3.29Å; T122-I126 WeakPolarHBondContact O-CD1 3.49Å; T122-I126 VanDerWaalsContact O-CG1 3.26Å; T122-I126 WeakPolarHBondContact O-CG1 3.23Å; T122-I126 PolarHBondContact O-N 3.11Å
123	S	56.4	Low	51.4	Low	12 Å²	12	80.4 Å²	80.4	8%	0.084	47%	0.47	C	S	.	.	H	α-helix	trans	-64.8	-45.1	177.8	-57.2	0	0	0	0	112.6	L119 N120 I126 M127 L166	L119-S123 VanDerWaalsContact O-CB 3.32Å; L119-S123 WeakPolarHBondContact O-CB 3.24Å; L119-S123 PolarHBondContact O-N 3.41Å; L119-S123 PolarHBondContact O-OG 3.47Å; N120-S123 PolarHBondContact O-N 2.86Å; S123-I126 PolarHBondContact O-N 3.13Å; S123-M127 WeakPolarHBondContact O-CG 3.39Å; S123-M127 PolarHBondContact O-N 3.37Å; S123-L166 WeakPolarHBondContact OG-CD2 3.43Å
124	S	57.2	Low	53.1	Low	54 Å²	54	75.5 Å²	75.5	38%	0.378	43%	0.434	S	S	.	.	H	α-helix	trans	-57.8	-51.4	172.6	-176.3	0	0	0	0	111.1	N120 I126 M127 T128	N120-S124 VanDerWaalsContact O-CB 3.23Å; N120-S124 WeakPolarHBondContact O-CB 3.42Å; N120-S124 PolarHBondContact O-N 3.14Å; S124-I126 VanDerWaalsContact C-N 3.3Å; S124-I126 PolarHBondContact O-N 2.98Å; S124-M127 PolarHBondContact O-N 2.78Å; S124-M127 VanDerWaalsContact O-N 3.08Å; S124-T128 PolarHBondContact O-N 3.17Å; S124-T128 PolarHBondContact O-OG1 3.37Å; S124-T128 VanDerWaalsContact O-OG1 3.13Å
125	T	66.7	Low	55.2	Low	69 Å²	69	72 Å²	72	42%	0.423	40%	0.401	S	S	.	.	H	α-helix	trans	-58.7	-38	179.3	-59.1	0	0	0	0	112.9	D121 T122 K129	D121-T125 VanDerWaalsContact O-CB 3.29Å; D121-T125 WeakPolarHBondContact O-CB 3.43Å; D121-T125 PolarHBondContact O-N 2.63Å; D121-T125 PolarHBondContact O-OG1 2.66Å; T122-T125 PolarHBondContact O-N 2.77Å; T125-K129 HydrophobicContact CG2-CD 4.36Å; T125-K129 WeakPolarHBondContact O-CG 3.46Å; T125-K129 PolarHBondContact O-N 3.14Å
126	I	68.4	Low	57.4	Low	47 Å²	47	70 Å²	70	24%	0.241	39%	0.388	C	S	.	.	H	α-helix	trans	-67.2	-44.6	176.1	-73.1	165.4	0	0	0	110.4	T122 S123 S124 K129 I130 Y158 F162	T122-I126 WeakPolarHBondContact O-CB 3.29Å; T122-I126 WeakPolarHBondContact O-CD1 3.49Å; T122-I126 VanDerWaalsContact O-CG1 3.26Å; T122-I126 WeakPolarHBondContact O-CG1 3.23Å; T122-I126 PolarHBondContact O-N 3.11Å; S123-I126 PolarHBondContact O-N 3.13Å; S124-I126 VanDerWaalsContact C-N 3.3Å; S124-I126 PolarHBondContact O-N 2.98Å; I126-K129 PolarHBondContact O-N 3.45Å; I126-I130 HydrophobicContact CG2-CD1 3.88Å; I126-I130 WeakPolarHBondContact O-CG1 3.12Å; I126-I130 PolarHBondContact O-N 3.16Å; I126-Y158 HydrophobicContact CG2-CE1 4.32Å; I126-F162 HydrophobicContact CB-CE1 4.16Å; I126-F162 HydrophobicContact CB-CZ 4.08Å; I126-F162 HydrophobicContact CD1-CD2 4.42Å; I126-F162 HydrophobicContact CD1-CE1 4.48Å; I126-F162 HydrophobicContact CD1-CE2 3.54Å; I126-F162 HydrophobicContact CD1-CZ 3.59Å; I126-F162 HydrophobicContact CG1-CZ 4.44Å; I126-F162 HydrophobicContact CG2-CD1 3.97Å; I126-F162 HydrophobicContact CG2-CD2 4.4Å; I126-F162 HydrophobicContact CG2-CE1 3.78Å; I126-F162 HydrophobicContact CG2-CE2 4.26Å; I126-F162 HydrophobicContact CG2-CG 4.29Å; I126-F162 HydrophobicContact CG2-CZ 3.96Å
127	M	62.9	Low	59.4	Low	7 Å²	7	63.8 Å²	63.8	3%	0.034	35%	0.35	C	S	.	.	H	α-helix	trans	-63.8	-42.5	177.1	-69.5	-61.4	-68	0	0	112.5	S123 S124 K129 I130 F131 Y334	S123-M127 WeakPolarHBondContact O-CG 3.39Å; S123-M127 PolarHBondContact O-N 3.37Å; S124-M127 PolarHBondContact O-N 2.78Å; S124-M127 VanDerWaalsContact O-N 3.08Å; M127-K129 PolarHBondContact O-N 3.37Å; M127-I130 WeakPolarHBondContact O-CB 3.29Å; M127-I130 PolarHBondContact O-N 2.96Å; M127-I130 VanDerWaalsContact O-N 3.13Å; M127-I130 HydrophobicContact SD-CD1 4.19Å; M127-F131 HydrophobicContact CE-CE2 4.33Å; M127-F131 WeakPolarHBondContact O-CD2 3.39Å; M127-F131 PolarHBondContact O-N 3.41Å; M127-Y334 HydrophobicContact CB-CE2 4.3Å; M127-Y334 HydrophobicContact CE-CD2 4.19Å
128	T	65.9	Low	61.2	Low	67 Å²	67	57.1 Å²	57.1	41%	0.411	32%	0.315	S	S	.	.	H	α-helix	trans	-57.5	-47.3	174.4	-50.6	0	0	0	0	111.5	S124 I130 F131 D132	S124-T128 PolarHBondContact O-N 3.17Å; S124-T128 PolarHBondContact O-OG1 3.37Å; S124-T128 VanDerWaalsContact O-OG1 3.13Å; T128-I130 VanDerWaalsContact C-N 3.26Å; T128-I130 PolarHBondContact O-N 2.93Å; T128-F131 PolarHBondContact O-N 2.95Å; T128-F131 VanDerWaalsContact O-N 3.07Å; T128-D132 PolarHBondContact O-N 3.45Å
129	K	70.2	Confident	63.2	Low	143 Å²	143	57.9 Å²	57.9	62%	0.622	31%	0.307	S	S	*	.	H	α-helix	trans	-62.3	-31.3	177.2	-72.7	174.5	-179.8	-179.8	0	113	T125 I126 M127 L133	T125-K129 HydrophobicContact CG2-CD 4.36Å; T125-K129 WeakPolarHBondContact O-CG 3.46Å; T125-K129 PolarHBondContact O-N 3.14Å; I126-K129 PolarHBondContact O-N 3.45Å; M127-K129 PolarHBondContact O-N 3.37Å; K129-L133 WeakPolarHBondContact O-CB 3.34Å; K129-L133 PolarHBondContact O-N 3.5Å; K129-L133 VanDerWaalsContact O-N 3.08Å
130	I	67.2	Low	64.8	Low	11 Å²	11	55 Å²	55	6%	0.056	30%	0.295	C	S	.	.	H	α-helix	trans	-69.1	-43	173	-69.8	162.2	0	0	0	110.7	I126 M127 T128 L133 L134 I155 Y158 V159	I126-I130 HydrophobicContact CG2-CD1 3.88Å; I126-I130 WeakPolarHBondContact O-CG1 3.12Å; I126-I130 PolarHBondContact O-N 3.16Å; M127-I130 WeakPolarHBondContact O-CB 3.29Å; M127-I130 PolarHBondContact O-N 2.96Å; M127-I130 VanDerWaalsContact O-N 3.13Å; M127-I130 HydrophobicContact SD-CD1 4.19Å; T128-I130 VanDerWaalsContact C-N 3.26Å; T128-I130 PolarHBondContact O-N 2.93Å; I130-L133 PolarHBondContact O-N 3.4Å; I130-L134 HydrophobicContact CG2-CD1 3.95Å; I130-L134 HydrophobicContact CG2-CG 4.45Å; I130-L134 WeakPolarHBondContact O-CB 3.46Å; I130-L134 VanDerWaalsContact O-CG 3.25Å; I130-L134 WeakPolarHBondContact O-CG 3.3Å; I130-L134 PolarHBondContact O-N 3.12Å; I130-I155 HydrophobicContact CG2-CG2 3.75Å; I130-Y158 HydrophobicContact CD1-CD1 3.98Å; I130-Y158 HydrophobicContact CD1-CE1 4.04Å; I130-Y158 HydrophobicContact CG1-CD1 4.48Å; I130-V159 HydrophobicContact CD1-CG2 4.07Å; I130-V159 HydrophobicContact CG2-CG2 4.16Å
131	F	63.3	Low	66.2	Low	35 Å²	35	59.1 Å²	59.1	15%	0.154	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-41.7	175.4	-73.2	-64.3	0	0	0	112.9	M127 T128 L134 E135 Y334 T440	M127-F131 HydrophobicContact CE-CE2 4.33Å; M127-F131 WeakPolarHBondContact O-CD2 3.39Å; M127-F131 PolarHBondContact O-N 3.41Å; T128-F131 PolarHBondContact O-N 2.95Å; T128-F131 VanDerWaalsContact O-N 3.07Å; F131-L134 HydrophobicContact CD1-CD1 4.49Å; F131-L134 PolarHBondContact O-N 3.1Å; F131-E135 WeakPolarHBondContact O-CB 3.17Å; F131-E135 PolarHBondContact O-N 2.9Å; F131-Y334 HydrophobicContact CE2-CD2 4.26Å; F131-Y334 HydrophobicContact CE2-CE2 4.17Å; F131-T440 HydrophobicContact CE1-CG2 4.23Å
132	D	70	Confident	67.2	Low	64 Å²	64	61.6 Å²	61.6	34%	0.342	32%	0.315	S	S	.	.	H	α-helix	trans	-66.9	-36.2	176.7	-64.9	-27.8	0	0	0	112.3	T128 T136 K441	T128-D132 PolarHBondContact O-N 3.45Å; D132-T136 WeakPolarHBondContact O-CB 3.45Å; D132-T136 PolarHBondContact O-N 2.86Å; D132-T136 PolarHBondContact O-OG1 3.2Å; D132-K441 IonicContact OD1-NZ 2.71Å; D132-K441 PolarHBondContact OD1-NZ 2.9Å
133	L	73.2	Confident	67.4	Low	52 Å²	52	60.2 Å²	60.2	27%	0.272	31%	0.305	S	S	.	.	H	α-helix	trans	-65.4	-44.5	172.7	179.1	61	0	0	0	111.5	K129 I130 T136 I137 I155 L185	K129-L133 WeakPolarHBondContact O-CB 3.34Å; K129-L133 PolarHBondContact O-N 3.5Å; K129-L133 VanDerWaalsContact O-N 3.08Å; I130-L133 PolarHBondContact O-N 3.4Å; L133-T136 WeakPolarHBondContact O-CB 3.44Å; L133-T136 PolarHBondContact O-N 3.21Å; L133-I137 HydrophobicContact CD1-CD1 4.07Å; L133-I137 HydrophobicContact CD1-CG1 4.42Å; L133-I137 HydrophobicContact CG-CD1 3.9Å; L133-I137 VanDerWaalsContact O-CD1 3.29Å; L133-I137 WeakPolarHBondContact O-CD1 3.39Å; L133-I137 VanDerWaalsContact O-CG1 3.25Å; L133-I137 WeakPolarHBondContact O-CG1 3.42Å; L133-I137 PolarHBondContact O-N 3.45Å; L133-I155 HydrophobicContact CD2-CD1 3.75Å; L133-I155 HydrophobicContact CD2-CG1 4.12Å; L133-I155 HydrophobicContact CG-CD1 3.89Å; L133-L185 HydrophobicContact CD1-CD2 4.31Å
134	L	65.1	Low	67.8	Low	18 Å²	18	62.2 Å²	62.2	9%	0.094	32%	0.319	C	S	.	.	H	α-helix	trans	-60.3	-48.4	176.2	-73.9	167.7	0	0	0	111.7	I130 F131 T136 I137 C138 L152 I155	I130-L134 HydrophobicContact CG2-CD1 3.95Å; I130-L134 HydrophobicContact CG2-CG 4.45Å; I130-L134 WeakPolarHBondContact O-CB 3.46Å; I130-L134 VanDerWaalsContact O-CG 3.25Å; I130-L134 WeakPolarHBondContact O-CG 3.3Å; I130-L134 PolarHBondContact O-N 3.12Å; F131-L134 HydrophobicContact CD1-CD1 4.49Å; F131-L134 PolarHBondContact O-N 3.1Å; L134-T136 VanDerWaalsContact C-N 3.32Å; L134-T136 PolarHBondContact O-N 3.01Å; L134-I137 PolarHBondContact O-N 3.42Å; L134-C138 WeakPolarHBondContact O-CB 3.47Å; L134-C138 PolarHBondContact O-N 3.16Å; L134-L152 HydrophobicContact CD2-CD2 3.44Å; L134-L152 VanDerWaalsContact CD2-CD2 3.44Å; L134-I155 HydrophobicContact CD2-CD1 3.81Å; L134-I155 HydrophobicContact CD2-CG2 4.07Å; L134-I155 HydrophobicContact CG-CD1 4.27Å; L134-I155 HydrophobicContact CG-CG2 4.33Å
135	E	68.9	Low	67.6	Low	29 Å²	29	66.4 Å²	66.4	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-57.1	-44.1	174.5	-176	-172.6	-134	0	0	111.5	F131 I137 C138 R139 I437 K441	F131-E135 WeakPolarHBondContact O-CB 3.17Å; F131-E135 PolarHBondContact O-N 2.9Å; E135-I137 PolarHBondContact O-N 2.96Å; E135-C138 PolarHBondContact O-N 2.98Å; E135-R139 WeakPolarHBondContact O-CB 3.4Å; E135-R139 WeakPolarHBondContact O-CG 3.2Å; E135-R139 PolarHBondContact O-N 3.44Å; E135-R139 IonicContact OE1-CZ 3.18Å; E135-R139 IonicContact OE1-NH1 2.67Å; E135-R139 PolarHBondContact OE1-NH1 3.24Å; E135-R139 IonicContact OE1-NH2 3.16Å; E135-R139 PolarHBondContact OE1-NH2 3.41Å; E135-R139 VanDerWaalsContact OE1-NH2 3.16Å; E135-R139 IonicContact OE2-NH1 3.76Å; E135-I437 HydrophobicContact CB-CG2 4.16Å; E135-I437 HydrophobicContact CG-CG2 4.34Å; E135-K441 IonicContact OE1-NZ 3.97Å; E135-K441 PolarHBondContact OE1-NZ 2.87Å; E135-K441 IonicContact OE2-NZ 3.2Å; E135-K441 PolarHBondContact OE2-NZ 2.81Å
136	T	72.4	Confident	67.3	Low	88 Å²	88	66.7 Å²	66.7	54%	0.54	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-42	177.3	-60.9	0	0	0	0	112.3	D132 L133 L134 R139 S140	D132-T136 WeakPolarHBondContact O-CB 3.45Å; D132-T136 PolarHBondContact O-N 2.86Å; D132-T136 PolarHBondContact O-OG1 3.2Å; L133-T136 WeakPolarHBondContact O-CB 3.44Å; L133-T136 PolarHBondContact O-N 3.21Å; L134-T136 VanDerWaalsContact C-N 3.32Å; L134-T136 PolarHBondContact O-N 3.01Å; T136-R139 PolarHBondContact O-N 3.3Å; T136-S140 WeakPolarHBondContact O-CB 3.47Å; T136-S140 PolarHBondContact O-N 2.88Å
137	I	69.5	Low	67.2	Low	7 Å²	7	67.7 Å²	67.7	4%	0.036	33%	0.331	C	S	.	.	H	α-helix	trans	-66.6	-44.1	176.5	-66	154.4	0	0	0	110.5	L133 L134 E135 S140 L143 K148 I151 I155	L133-I137 HydrophobicContact CD1-CD1 4.07Å; L133-I137 HydrophobicContact CD1-CG1 4.42Å; L133-I137 HydrophobicContact CG-CD1 3.9Å; L133-I137 VanDerWaalsContact O-CD1 3.29Å; L133-I137 WeakPolarHBondContact O-CD1 3.39Å; L133-I137 VanDerWaalsContact O-CG1 3.25Å; L133-I137 WeakPolarHBondContact O-CG1 3.42Å; L133-I137 PolarHBondContact O-N 3.45Å; L134-I137 PolarHBondContact O-N 3.42Å; E135-I137 PolarHBondContact O-N 2.96Å; I137-S140 PolarHBondContact O-N 3.44Å; I137-L143 HydrophobicContact CG2-CD1 4.25Å; I137-K148 HydrophobicContact CG2-CB 4.03Å; I137-K148 HydrophobicContact CG2-CG 3.97Å; I137-K148 WeakPolarHBondContact O-CD 3.29Å; I137-K148 WeakPolarHBondContact O-CE 3.4Å; I137-K148 PolarHBondContact O-NZ 2.88Å; I137-I151 HydrophobicContact CD1-CB 4.12Å; I137-I151 HydrophobicContact CD1-CG2 3.34Å; I137-I151 HydrophobicContact CG1-CG2 4.11Å; I137-I155 HydrophobicContact CD1-CD1 3.39Å
138	C	63.3	Low	67.4	Low	13 Å²	13	68.7 Å²	68.7	9%	0.088	34%	0.335	C	S	.	.	H	α-helix	trans	-62.2	-42.7	176.7	-77.7	0	0	0	0	111.9	L134 E135 K148 H434 I437	L134-C138 WeakPolarHBondContact O-CB 3.47Å; L134-C138 PolarHBondContact O-N 3.16Å; E135-C138 PolarHBondContact O-N 2.98Å; C138-K148 PolarHBondContact O-NZ 2.94Å; C138-H434 VanDerWaalsContact C-NE2 3.26Å; C138-H434 PolarHBondContact O-NE2 2.87Å; C138-I437 HydrophobicContact CB-CD1 4.13Å
139	R	74.9	Confident	67.4	Low	114 Å²	114	68.2 Å²	68.2	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-77	-20.1	178.1	-73.6	-179.7	179.7	149.1	13.7	114.7	E135 T136 K141 H434 D438	E135-R139 WeakPolarHBondContact O-CB 3.4Å; E135-R139 WeakPolarHBondContact O-CG 3.2Å; E135-R139 PolarHBondContact O-N 3.44Å; E135-R139 IonicContact OE1-CZ 3.18Å; E135-R139 IonicContact OE1-NH1 2.67Å; E135-R139 PolarHBondContact OE1-NH1 3.24Å; E135-R139 IonicContact OE1-NH2 3.16Å; E135-R139 PolarHBondContact OE1-NH2 3.41Å; E135-R139 VanDerWaalsContact OE1-NH2 3.16Å; E135-R139 IonicContact OE2-NH1 3.76Å; T136-R139 PolarHBondContact O-N 3.3Å; R139-K141 PolarHBondContact O-N 3.18Å; R139-H434 WeakPolarHBondContact CG-CE1 3.37Å; R139-D438 IonicContact NH2-OD1 2.85Å; R139-D438 PolarHBondContact NH2-OD1 3.44Å; R139-D438 IonicContact NH2-OD2 3.12Å; R139-D438 PolarHBondContact NH2-OD2 3Å; R139-D438 VanDerWaalsContact NH2-OD2 3.12Å
140	S	69.9	Low	67	Low	31 Å²	31	65 Å²	65	22%	0.217	32%	0.316	C	S	.	.			trans	-58.4	128.4	179.4	179.4	0	0	0	0	112.8	T136 I137 H142 L143 K148	T136-S140 WeakPolarHBondContact O-CB 3.47Å; T136-S140 PolarHBondContact O-N 2.88Å; I137-S140 PolarHBondContact O-N 3.44Å; S140-H142 PolarHBondContact OG-N 2.74Å; S140-L143 PolarHBondContact OG-N 2.95Å; S140-K148 WeakPolarHBondContact O-CE 3.32Å; S140-K148 PolarHBondContact O-NZ 3.5Å
141	K	72.5	Confident	67	Low	199 Å²	199	66.3 Å²	66.3	87%	0.865	32%	0.322	S	S	*	.	S	Bend	trans	-91.6	-10	172.9	-65	-179	-179.5	176.8	0	113.5	R139	R139-K141 PolarHBondContact O-N 3.18Å
142	H	70.7	Confident	67	Low	153 Å²	153	66.1 Å²	66.1	71%	0.708	32%	0.322	S	S	*	.	S	Bend	trans	-96.9	-21	-174.4	-62.5	-82.1	0	0	0	113.5	S140	S140-H142 PolarHBondContact OG-N 2.74Å
143	L	67.4	Low	66.6	Low	52 Å²	52	66.4 Å²	66.4	27%	0.272	32%	0.323	S	S	.	.	S	Bend	trans	-82.9	126.8	175.1	-67.9	168.6	0	0	0	110.4	I137 S140 E147 K148 I151	I137-L143 HydrophobicContact CG2-CD1 4.25Å; S140-L143 PolarHBondContact OG-N 2.95Å; L143-E147 HydrophobicContact CB-CB 4.4Å; L143-E147 HydrophobicContact CD2-CB 4Å; L143-K148 HydrophobicContact CB-CG 3.75Å; L143-K148 HydrophobicContact CD1-CG 4.4Å; L143-I151 HydrophobicContact CD1-CD1 3.73Å; L143-I151 HydrophobicContact CD2-CD1 3.92Å; L143-I151 HydrophobicContact CG-CD1 4.48Å
144	S	64.4	Low	66.2	Low	54 Å²	54	68.8 Å²	68.8	38%	0.378	34%	0.336	S	S	.	.			trans	-63.9	160.8	168.2	67.9	0	0	0	0	111.4	E146 E147 K148	S144-E146 VanDerWaalsContact C-N 3.27Å; S144-E146 PolarHBondContact O-N 3.39Å; S144-E147 VanDerWaalsContact CB-OE2 3.26Å; S144-E147 WeakPolarHBondContact CB-OE2 3.5Å; S144-E147 PolarHBondContact N-OE2 3.46Å; S144-E147 PolarHBondContact O-N 3.14Å; S144-E147 VanDerWaalsContact O-N 3.09Å; S144-E147 VanDerWaalsContact OG-CD 3.32Å; S144-E147 VanDerWaalsContact OG-CG 3.31Å; S144-E147 WeakPolarHBondContact OG-CG 3.39Å; S144-E147 PolarHBondContact OG-N 3.5Å; S144-E147 PolarHBondContact OG-OE2 3.18Å; S144-K148 PolarHBondContact O-N 2.91Å
145	F	53.1	Low	66.1	Low	141 Å²	141	68.7 Å²	68.7	62%	0.618	34%	0.335	S	S	*	.	H	α-helix	trans	-57.2	-39.9	178.1	178.7	-95.8	0	0	0	112.6	E147 K148 L149	F145-E147 VanDerWaalsContact C-N 3.32Å; F145-E147 PolarHBondContact O-N 2.87Å; F145-K148 PolarHBondContact O-N 3.49Å; F145-L149 HydrophobicContact CE1-CD2 4.44Å; F145-L149 WeakPolarHBondContact O-CB 3.31Å; F145-L149 PolarHBondContact O-N 3.13Å
146	E	60.2	Low	65.4	Low	75 Å²	75	68.6 Å²	68.6	35%	0.35	34%	0.339	S	S	.	.	H	α-helix	trans	-64.7	-36.3	177.5	-158.7	-161.4	160.5	0	0	111.7	S144 K150	S144-E146 VanDerWaalsContact C-N 3.27Å; S144-E146 PolarHBondContact O-N 3.39Å; E146-K150 WeakPolarHBondContact O-CB 3.43Å; E146-K150 WeakPolarHBondContact O-CD 3.21Å; E146-K150 WeakPolarHBondContact O-CG 3.47Å; E146-K150 PolarHBondContact O-N 3.45Å; E146-K150 WeakPolarHBondContact OE1-CE 3.42Å; E146-K150 IonicContact OE1-NZ 3.62Å; E146-K150 PolarHBondContact OE1-NZ 2.84Å; E146-K150 IonicContact OE2-NZ 2.72Å
147	E	65.4	Low	64.7	Low	68 Å²	68	69.1 Å²	69.1	32%	0.318	34%	0.336	S	S	.	.	H	α-helix	trans	-72	-43.4	175.5	-68.8	165	121.8	0	0	112.1	L143 S144 F145 L149 K150 I151	L143-E147 HydrophobicContact CB-CB 4.4Å; L143-E147 HydrophobicContact CD2-CB 4Å; S144-E147 VanDerWaalsContact CB-OE2 3.26Å; S144-E147 WeakPolarHBondContact CB-OE2 3.5Å; S144-E147 PolarHBondContact N-OE2 3.46Å; S144-E147 PolarHBondContact O-N 3.14Å; S144-E147 VanDerWaalsContact O-N 3.09Å; S144-E147 VanDerWaalsContact OG-CD 3.32Å; S144-E147 VanDerWaalsContact OG-CG 3.31Å; S144-E147 WeakPolarHBondContact OG-CG 3.39Å; S144-E147 PolarHBondContact OG-N 3.5Å; S144-E147 PolarHBondContact OG-OE2 3.18Å; F145-E147 VanDerWaalsContact C-N 3.32Å; F145-E147 PolarHBondContact O-N 2.87Å; E147-L149 VanDerWaalsContact C-N 3.31Å; E147-L149 PolarHBondContact O-N 2.9Å; E147-K150 PolarHBondContact O-N 3.01Å; E147-I151 WeakPolarHBondContact O-CD1 3.31Å; E147-I151 VanDerWaalsContact O-CG1 3.24Å; E147-I151 WeakPolarHBondContact O-CG1 3.5Å; E147-I151 PolarHBondContact O-N 3.35Å
148	K	68.7	Low	64.2	Low	29 Å²	29	74.1 Å²	74.1	13%	0.126	36%	0.355	C	S	.	.	H	α-helix	trans	-56.1	-47.4	173.5	-68	-168	-179	-166.9	0	111	I137 C138 S140 L143 S144 F145 I151 L152	I137-K148 HydrophobicContact CG2-CB 4.03Å; I137-K148 HydrophobicContact CG2-CG 3.97Å; I137-K148 WeakPolarHBondContact O-CD 3.29Å; I137-K148 WeakPolarHBondContact O-CE 3.4Å; I137-K148 PolarHBondContact O-NZ 2.88Å; C138-K148 PolarHBondContact O-NZ 2.94Å; S140-K148 WeakPolarHBondContact O-CE 3.32Å; S140-K148 PolarHBondContact O-NZ 3.5Å; L143-K148 HydrophobicContact CB-CG 3.75Å; L143-K148 HydrophobicContact CD1-CG 4.4Å; S144-K148 PolarHBondContact O-N 2.91Å; F145-K148 PolarHBondContact O-N 3.49Å; K148-I151 PolarHBondContact O-N 3.22Å; K148-L152 WeakPolarHBondContact O-CB 3.46Å; K148-L152 WeakPolarHBondContact O-CG 3.24Å; K148-L152 PolarHBondContact O-N 3.22Å
149	L	64.2	Low	63.9	Low	56 Å²	56	73.9 Å²	73.9	29%	0.293	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-42.6	178.1	-173.9	63.3	0	0	0	112.2	F145 E147 I151 L152 M153	F145-L149 HydrophobicContact CE1-CD2 4.44Å; F145-L149 WeakPolarHBondContact O-CB 3.31Å; F145-L149 PolarHBondContact O-N 3.13Å; E147-L149 VanDerWaalsContact C-N 3.31Å; E147-L149 PolarHBondContact O-N 2.9Å; L149-I151 PolarHBondContact O-N 3.34Å; L149-L152 PolarHBondContact O-N 2.89Å; L149-M153 WeakPolarHBondContact O-CG 3.3Å; L149-M153 PolarHBondContact O-N 3.42Å
150	K	63.1	Low	62.9	Low	77 Å²	77	70 Å²	70	34%	0.335	34%	0.341	S	S	.	.	H	α-helix	trans	-60	-42.4	174.4	-76.8	164	-175.8	163.3	0	112.3	E146 E147 M153 N154	E146-K150 WeakPolarHBondContact O-CB 3.43Å; E146-K150 WeakPolarHBondContact O-CD 3.21Å; E146-K150 WeakPolarHBondContact O-CG 3.47Å; E146-K150 PolarHBondContact O-N 3.45Å; E146-K150 WeakPolarHBondContact OE1-CE 3.42Å; E146-K150 IonicContact OE1-NZ 3.62Å; E146-K150 PolarHBondContact OE1-NZ 2.84Å; E146-K150 IonicContact OE2-NZ 2.72Å; E147-K150 PolarHBondContact O-N 3.01Å; K150-M153 PolarHBondContact O-N 2.92Å; K150-N154 VanDerWaalsContact O-CG 3.24Å; K150-N154 PolarHBondContact O-N 2.94Å; K150-N154 VanDerWaalsContact O-N 3.11Å; K150-N154 PolarHBondContact O-ND2 3.03Å; K150-N154 VanDerWaalsContact O-ND2 3.1Å
151	I	67.2	Low	62.3	Low	37 Å²	37	73.1 Å²	73.1	19%	0.19	35%	0.35	C	S	.	.	H	α-helix	trans	-71.3	-39.7	-180	-55.2	156.8	0	0	0	110.4	I137 L143 E147 K148 L149 M153 N154 I155	I137-I151 HydrophobicContact CD1-CB 4.12Å; I137-I151 HydrophobicContact CD1-CG2 3.34Å; I137-I151 HydrophobicContact CG1-CG2 4.11Å; L143-I151 HydrophobicContact CD1-CD1 3.73Å; L143-I151 HydrophobicContact CD2-CD1 3.92Å; L143-I151 HydrophobicContact CG-CD1 4.48Å; E147-I151 WeakPolarHBondContact O-CD1 3.31Å; E147-I151 VanDerWaalsContact O-CG1 3.24Å; E147-I151 WeakPolarHBondContact O-CG1 3.5Å; E147-I151 PolarHBondContact O-N 3.35Å; K148-I151 PolarHBondContact O-N 3.22Å; L149-I151 PolarHBondContact O-N 3.34Å; I151-M153 VanDerWaalsContact C-N 3.34Å; I151-M153 PolarHBondContact O-N 3.35Å; I151-N154 PolarHBondContact O-N 2.89Å; I151-I155 HydrophobicContact CG2-CD1 4.07Å; I151-I155 HydrophobicContact CG2-CG1 4.48Å; I151-I155 WeakPolarHBondContact O-CG1 3.43Å; I151-I155 PolarHBondContact O-N 2.75Å
152	L	63.9	Low	61.7	Low	31 Å²	31	64.7 Å²	64.7	16%	0.162	31%	0.314	C	S	.	.	H	α-helix	trans	-55.4	-44.9	171.8	-81.7	159.9	0	0	0	112.4	L134 K148 L149 I155 A156	L134-L152 HydrophobicContact CD2-CD2 3.44Å; L134-L152 VanDerWaalsContact CD2-CD2 3.44Å; K148-L152 WeakPolarHBondContact O-CB 3.46Å; K148-L152 WeakPolarHBondContact O-CG 3.24Å; K148-L152 PolarHBondContact O-N 3.22Å; L149-L152 PolarHBondContact O-N 2.89Å; L152-I155 PolarHBondContact O-N 2.65Å; L152-A156 PolarHBondContact O-N 2.8Å
153	M	60.5	Low	60.7	Low	71 Å²	71	60 Å²	60	35%	0.35	29%	0.29	S	S	.	.	H	α-helix	trans	-65.2	-39.4	176.1	-67.4	-65.3	98.6	0	0	112.8	L149 K150 I151 I155 A156 E157 M326	L149-M153 WeakPolarHBondContact O-CG 3.3Å; L149-M153 PolarHBondContact O-N 3.42Å; K150-M153 PolarHBondContact O-N 2.92Å; I151-M153 VanDerWaalsContact C-N 3.34Å; I151-M153 PolarHBondContact O-N 3.35Å; M153-I155 VanDerWaalsContact C-N 3.33Å; M153-I155 PolarHBondContact O-N 3.4Å; M153-A156 PolarHBondContact O-N 3.09Å; M153-E157 PolarHBondContact O-N 3.09Å; M153-M326 HydrophobicContact CE-CE 4.23Å; M153-M326 HydrophobicContact CE-SD 3.84Å
154	N	64	Low	60.2	Low	101 Å²	101	61.2 Å²	61.2	54%	0.54	29%	0.294	S	S	.	.	H	α-helix	trans	-65.4	-35.8	174.8	-65.5	-34.6	0	0	0	112.2	K150 I151 E157 Y158	K150-N154 VanDerWaalsContact O-CG 3.24Å; K150-N154 PolarHBondContact O-N 2.94Å; K150-N154 VanDerWaalsContact O-N 3.11Å; K150-N154 PolarHBondContact O-ND2 3.03Å; K150-N154 VanDerWaalsContact O-ND2 3.1Å; I151-N154 PolarHBondContact O-N 2.89Å; N154-E157 PolarHBondContact O-N 2.98Å; N154-Y158 PolarHBondContact O-N 2.71Å
155	I	64.6	Low	59.8	Low	16 Å²	16	66.7 Å²	66.7	8%	0.082	31%	0.308	C	S	.	.	H	α-helix	trans	-68.4	-41	175.2	-69.5	167.9	0	0	0	110.5	I130 L133 L134 I137 I151 L152 M153 E157 Y158 V159	I130-I155 HydrophobicContact CG2-CG2 3.75Å; L133-I155 HydrophobicContact CD2-CD1 3.75Å; L133-I155 HydrophobicContact CD2-CG1 4.12Å; L133-I155 HydrophobicContact CG-CD1 3.89Å; L134-I155 HydrophobicContact CD2-CD1 3.81Å; L134-I155 HydrophobicContact CD2-CG2 4.07Å; L134-I155 HydrophobicContact CG-CD1 4.27Å; L134-I155 HydrophobicContact CG-CG2 4.33Å; I137-I155 HydrophobicContact CD1-CD1 3.39Å; I151-I155 HydrophobicContact CG2-CD1 4.07Å; I151-I155 HydrophobicContact CG2-CG1 4.48Å; I151-I155 WeakPolarHBondContact O-CG1 3.43Å; I151-I155 PolarHBondContact O-N 2.75Å; L152-I155 PolarHBondContact O-N 2.65Å; M153-I155 VanDerWaalsContact C-N 3.33Å; M153-I155 PolarHBondContact O-N 3.4Å; I155-E157 VanDerWaalsContact C-N 3.34Å; I155-E157 PolarHBondContact O-N 3.41Å; I155-Y158 PolarHBondContact O-N 3.3Å; I155-Y158 VanDerWaalsContact O-N 3.13Å; I155-V159 HydrophobicContact CG2-CG2 4.35Å; I155-V159 WeakPolarHBondContact O-CG2 3.41Å; I155-V159 PolarHBondContact O-N 3.3Å
156	A	52.6	Low	59.8	Low	27 Å²	27	61.9 Å²	61.9	22%	0.223	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-42.9	173.7	0	0	0	0	0	111.9	L152 M153 Y158 V159 I160 M326	L152-A156 PolarHBondContact O-N 2.8Å; M153-A156 PolarHBondContact O-N 3.09Å; A156-Y158 VanDerWaalsContact C-N 3.31Å; A156-Y158 PolarHBondContact O-N 3Å; A156-V159 PolarHBondContact O-N 3.34Å; A156-I160 WeakPolarHBondContact O-CD1 3.41Å; A156-I160 VanDerWaalsContact O-CG1 3.28Å; A156-I160 WeakPolarHBondContact O-CG1 3.32Å; A156-I160 PolarHBondContact O-N 3.09Å; A156-M326 HydrophobicContact CB-CE 4.37Å
157	E	57.7	Low	59.6	Low	100 Å²	100	61.4 Å²	61.4	47%	0.467	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-35.9	174	-166.7	-175.3	152.7	0	0	112.5	M153 N154 I155 K161	M153-E157 PolarHBondContact O-N 3.09Å; N154-E157 PolarHBondContact O-N 2.98Å; I155-E157 VanDerWaalsContact C-N 3.34Å; I155-E157 PolarHBondContact O-N 3.41Å; E157-K161 WeakPolarHBondContact O-CG 3.45Å; E157-K161 PolarHBondContact O-N 3.13Å; E157-K161 VanDerWaalsContact O-N 3.13Å; E157-K161 VanDerWaalsContact OE1-CE 3.3Å; E157-K161 WeakPolarHBondContact OE1-CE 3.37Å; E157-K161 IonicContact OE1-NZ 3.49Å; E157-K161 PolarHBondContact OE1-NZ 3.18Å
158	Y	59.8	Low	58.6	Low	111 Å²	111	65 Å²	65	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-69.5	-43.4	175.3	-173.4	-99.4	0	0	0	112.5	I126 I130 N154 I155 A156 I160 K161 F162	I126-Y158 HydrophobicContact CG2-CE1 4.32Å; I130-Y158 HydrophobicContact CD1-CD1 3.98Å; I130-Y158 HydrophobicContact CD1-CE1 4.04Å; I130-Y158 HydrophobicContact CG1-CD1 4.48Å; N154-Y158 PolarHBondContact O-N 2.71Å; I155-Y158 PolarHBondContact O-N 3.3Å; I155-Y158 VanDerWaalsContact O-N 3.13Å; A156-Y158 VanDerWaalsContact C-N 3.31Å; A156-Y158 PolarHBondContact O-N 3Å; Y158-I160 VanDerWaalsContact C-N 3.35Å; Y158-I160 PolarHBondContact O-N 3.38Å; Y158-K161 PolarHBondContact O-N 3.11Å; Y158-F162 WeakPolarHBondContact O-CB 3.32Å; Y158-F162 PolarHBondContact O-N 2.69Å
159	V	57.2	Low	57	Low	9 Å²	9	68.7 Å²	68.7	6%	0.055	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-42.4	175.6	172.8	0	0	0	0	111	I130 I155 A156 F162 Y163 Y329	I130-V159 HydrophobicContact CD1-CG2 4.07Å; I130-V159 HydrophobicContact CG2-CG2 4.16Å; I155-V159 HydrophobicContact CG2-CG2 4.35Å; I155-V159 WeakPolarHBondContact O-CG2 3.41Å; I155-V159 PolarHBondContact O-N 3.3Å; A156-V159 PolarHBondContact O-N 3.34Å; V159-F162 PolarHBondContact O-N 3.48Å; V159-Y163 PolarHBondContact O-N 3.3Å; V159-Y329 HydrophobicContact CG1-CE1 4.39Å
160	I	54.2	Low	55.6	Low	33 Å²	33	72.4 Å²	72.4	17%	0.169	36%	0.357	C	S	.	.	H	α-helix	trans	-57.2	-52.6	174.2	-71.4	161.3	0	0	0	110.5	A156 Y158 F162 Y163 E164 Y329 I384	A156-I160 WeakPolarHBondContact O-CD1 3.41Å; A156-I160 VanDerWaalsContact O-CG1 3.28Å; A156-I160 WeakPolarHBondContact O-CG1 3.32Å; A156-I160 PolarHBondContact O-N 3.09Å; Y158-I160 VanDerWaalsContact C-N 3.35Å; Y158-I160 PolarHBondContact O-N 3.38Å; I160-F162 VanDerWaalsContact C-N 3.3Å; I160-F162 PolarHBondContact O-N 3.11Å; I160-Y163 PolarHBondContact O-N 3.26Å; I160-E164 WeakPolarHBondContact O-CG 3.48Å; I160-E164 PolarHBondContact O-N 2.94Å; I160-Y329 VanDerWaalsContact CG1-OH 3.26Å; I160-Y329 WeakPolarHBondContact CG1-OH 3.47Å; I160-I384 HydrophobicContact CD1-CD1 4.49Å
161	K	57.6	Low	54.1	Low	96 Å²	96	74.6 Å²	74.6	42%	0.417	38%	0.376	S	S	.	.	H	α-helix	trans	-65.9	-32.1	-179.2	-72.1	174.8	-174	173	0	113.2	E157 Y158 Y165	E157-K161 WeakPolarHBondContact O-CG 3.45Å; E157-K161 PolarHBondContact O-N 3.13Å; E157-K161 VanDerWaalsContact O-N 3.13Å; E157-K161 VanDerWaalsContact OE1-CE 3.3Å; E157-K161 WeakPolarHBondContact OE1-CE 3.37Å; E157-K161 IonicContact OE1-NZ 3.49Å; E157-K161 PolarHBondContact OE1-NZ 3.18Å; Y158-K161 PolarHBondContact O-N 3.11Å; K161-Y165 WeakPolarHBondContact O-CB 3.19Å; K161-Y165 PolarHBondContact O-N 3.45Å
162	F	59.1	Low	52.3	Low	22 Å²	22	79.5 Å²	79.5	10%	0.096	41%	0.408	C	S	.	.	H	α-helix	trans	-70.6	-38.1	175	-172.8	-117.7	0	0	0	111.5	I126 Y158 V159 I160 Y165 L166	I126-F162 HydrophobicContact CB-CE1 4.16Å; I126-F162 HydrophobicContact CB-CZ 4.08Å; I126-F162 HydrophobicContact CD1-CD2 4.42Å; I126-F162 HydrophobicContact CD1-CE1 4.48Å; I126-F162 HydrophobicContact CD1-CE2 3.54Å; I126-F162 HydrophobicContact CD1-CZ 3.59Å; I126-F162 HydrophobicContact CG1-CZ 4.44Å; I126-F162 HydrophobicContact CG2-CD1 3.97Å; I126-F162 HydrophobicContact CG2-CD2 4.4Å; I126-F162 HydrophobicContact CG2-CE1 3.78Å; I126-F162 HydrophobicContact CG2-CE2 4.26Å; I126-F162 HydrophobicContact CG2-CG 4.29Å; I126-F162 HydrophobicContact CG2-CZ 3.96Å; Y158-F162 WeakPolarHBondContact O-CB 3.32Å; Y158-F162 PolarHBondContact O-N 2.69Å; V159-F162 PolarHBondContact O-N 3.48Å; I160-F162 VanDerWaalsContact C-N 3.3Å; I160-F162 PolarHBondContact O-N 3.11Å; F162-Y165 HydrophobicContact CD2-CD1 4.38Å; F162-Y165 HydrophobicContact CE2-CD1 4.21Å; F162-Y165 WeakPolarHBondContact O-CB 3.48Å; F162-Y165 PolarHBondContact O-N 2.94Å; F162-L166 HydrophobicContact CD1-CD1 4.08Å; F162-L166 HydrophobicContact CE1-CD1 3.51Å; F162-L166 HydrophobicContact CE1-CG 4.15Å; F162-L166 HydrophobicContact CE2-CD1 4.47Å; F162-L166 HydrophobicContact CE2-CD2 4.38Å; F162-L166 HydrophobicContact CE2-CG 4.25Å; F162-L166 HydrophobicContact CZ-CD1 3.72Å; F162-L166 HydrophobicContact CZ-CD2 4.1Å; F162-L166 HydrophobicContact CZ-CG 3.95Å; F162-L166 WeakPolarHBondContact O-CG 3.35Å; F162-L166 PolarHBondContact O-N 2.9Å
163	Y	50.9	Low	50.6	Low	53 Å²	53	88.1 Å²	88.1	21%	0.208	44%	0.44	C	S	.	.	H	α-helix	trans	-67.9	-40.7	171	-178	-96.3	0	0	0	112.4	V159 I160 Y165 L166 T167 Y333	V159-Y163 PolarHBondContact O-N 3.3Å; I160-Y163 PolarHBondContact O-N 3.26Å; Y163-Y165 VanDerWaalsContact C-N 3.3Å; Y163-Y165 PolarHBondContact O-N 3.33Å; Y163-L166 PolarHBondContact O-N 3.03Å; Y163-T167 HydrophobicContact CD1-CG2 4.11Å; Y163-T167 HydrophobicContact CD2-CG2 4.12Å; Y163-T167 HydrophobicContact CE1-CG2 3.62Å; Y163-T167 HydrophobicContact CE2-CG2 3.65Å; Y163-T167 HydrophobicContact CG-CG2 4.36Å; Y163-T167 WeakPolarHBondContact O-CB 3.44Å; Y163-T167 PolarHBondContact O-N 3.27Å; Y163-T167 PolarHBondContact O-OG1 3.35Å; Y163-Y333 HydrophobicContact CD1-CD1 4.24Å; Y163-Y333 AromaticContact CD1-CE1 3.64Å; Y163-Y333 HydrophobicContact CD1-CE1 3.64Å; Y163-Y333 AromaticContact CD2-CD1 3.41Å; Y163-Y333 HydrophobicContact CD2-CD1 3.41Å; Y163-Y333 VanDerWaalsContact CD2-CD1 3.41Å; Y163-Y333 AromaticContact CD2-CE1 3.67Å; Y163-Y333 HydrophobicContact CD2-CE1 3.67Å; Y163-Y333 HydrophobicContact CE1-CD1 4.36Å; Y163-Y333 AromaticContact CE1-CE1 3.64Å; Y163-Y333 HydrophobicContact CE1-CE1 3.64Å; Y163-Y333 AromaticContact CE2-CD1 3.53Å; Y163-Y333 HydrophobicContact CE2-CD1 3.53Å; Y163-Y333 AromaticContact CE2-CE1 3.64Å; Y163-Y333 HydrophobicContact CE2-CE1 3.64Å; Y163-Y333 AromaticContact CG-CD1 3.76Å; Y163-Y333 HydrophobicContact CG-CD1 3.76Å; Y163-Y333 AromaticContact CG-CE1 3.63Å; Y163-Y333 HydrophobicContact CG-CE1 3.63Å; Y163-Y333 AromaticContact CZ-CE1 3.61Å
164	E	55.1	Low	49	Very low	78 Å²	78	90.7 Å²	90.7	36%	0.364	46%	0.46	S	S	.	.	H	α-helix	trans	-55.4	-47.2	170.9	-72.8	176.4	153.1	0	0	110	I160 L166 T167 H168	I160-E164 WeakPolarHBondContact O-CG 3.48Å; I160-E164 PolarHBondContact O-N 2.94Å; E164-L166 PolarHBondContact O-N 3.16Å; E164-T167 PolarHBondContact O-N 3.07Å; E164-T167 PolarHBondContact O-OG1 3.35Å; E164-H168 PolarHBondContact O-N 2.77Å; E164-H168 VanDerWaalsContact O-N 3.15Å; E164-H168 PolarHBondContact O-ND1 3.1Å
165	Y	57	Low	47.3	Very low	170 Å²	170	94 Å²	94	67%	0.667	47%	0.47	S	S	*	.	H	α-helix	trans	-60.5	-40.6	174.9	175.8	-96	0	0	0	113.9	K161 F162 Y163 T167	K161-Y165 WeakPolarHBondContact O-CB 3.19Å; K161-Y165 PolarHBondContact O-N 3.45Å; F162-Y165 HydrophobicContact CD2-CD1 4.38Å; F162-Y165 HydrophobicContact CE2-CD1 4.21Å; F162-Y165 WeakPolarHBondContact O-CB 3.48Å; F162-Y165 PolarHBondContact O-N 2.94Å; Y163-Y165 VanDerWaalsContact C-N 3.3Å; Y163-Y165 PolarHBondContact O-N 3.33Å; Y165-T167 VanDerWaalsContact C-N 3.33Å; Y165-T167 PolarHBondContact O-N 3.45Å
166	L	53.5	Low	45.5	Very low	39 Å²	39	97.2 Å²	97.2	20%	0.204	49%	0.494	C	S	.	.	H	α-helix	trans	-75.9	-15	178.8	-70.7	-177.4	0	0	0	114.5	L119 S123 F162 Y163 E164 L337	L119-L166 HydrophobicContact CD2-CD2 4.04Å; L119-L166 HydrophobicContact CG-CD2 4.42Å; S123-L166 WeakPolarHBondContact OG-CD2 3.43Å; F162-L166 HydrophobicContact CD1-CD1 4.08Å; F162-L166 HydrophobicContact CE1-CD1 3.51Å; F162-L166 HydrophobicContact CE1-CG 4.15Å; F162-L166 HydrophobicContact CE2-CD1 4.47Å; F162-L166 HydrophobicContact CE2-CD2 4.38Å; F162-L166 HydrophobicContact CE2-CG 4.25Å; F162-L166 HydrophobicContact CZ-CD1 3.72Å; F162-L166 HydrophobicContact CZ-CD2 4.1Å; F162-L166 HydrophobicContact CZ-CG 3.95Å; F162-L166 WeakPolarHBondContact O-CG 3.35Å; F162-L166 PolarHBondContact O-N 2.9Å; Y163-L166 PolarHBondContact O-N 3.03Å; E164-L166 PolarHBondContact O-N 3.16Å; L166-L337 HydrophobicContact CD1-CD2 3.9Å
167	T	55.7	Low	44.3	Very low	65 Å²	65	102.3 Å²	102.3	40%	0.399	51%	0.513	S	S	.	.	H	α-helix	trans	-108.2	-15.9	-175.9	48.5	0	0	0	0	115.2	Y163 E164 Y165 S169	Y163-T167 HydrophobicContact CD1-CG2 4.11Å; Y163-T167 HydrophobicContact CD2-CG2 4.12Å; Y163-T167 HydrophobicContact CE1-CG2 3.62Å; Y163-T167 HydrophobicContact CE2-CG2 3.65Å; Y163-T167 HydrophobicContact CG-CG2 4.36Å; Y163-T167 WeakPolarHBondContact O-CB 3.44Å; Y163-T167 PolarHBondContact O-N 3.27Å; Y163-T167 PolarHBondContact O-OG1 3.35Å; E164-T167 PolarHBondContact O-N 3.07Å; E164-T167 PolarHBondContact O-OG1 3.35Å; Y165-T167 VanDerWaalsContact C-N 3.33Å; Y165-T167 PolarHBondContact O-N 3.45Å; T167-S169 PolarHBondContact O-N 3.46Å
168	H	44.5	Very low	42.8	Very low	145 Å²	145	103.5 Å²	103.5	67%	0.671	52%	0.523	S	S	*	.			trans	-89.4	82.9	174.1	-67.5	71.3	0	0	0	110	E164 D170	E164-H168 PolarHBondContact O-N 2.77Å; E164-H168 VanDerWaalsContact O-N 3.15Å; E164-H168 PolarHBondContact O-ND1 3.1Å; H168-D170 PolarHBondContact O-N 2.69Å
169	S	34.1	Very low	41.4	Very low	105 Å²	105	105.1 Å²	105.1	73%	0.734	53%	0.534	S	S	*	.			trans	-72	-12.7	178.9	50.9	0	0	0	0	114.7	T167 T171	T167-S169 PolarHBondContact O-N 3.46Å; S169-T171 PolarHBondContact O-N 2.93Å
170	D	35.5	Very low	39.9	Very low	135 Å²	135	112.7 Å²	112.7	72%	0.722	57%	0.569	S	S	*	*	S	Bend	trans	-97.3	93	-162	-61.9	-10.1	0	0	0	112.2	H168	H168-D170 PolarHBondContact O-N 2.69Å
171	T	32.5	Very low	38.6	Very low	122 Å²	122	117 Å²	117	75%	0.748	60%	0.597	S	S	*	*	S	Bend	trans	39.4	131.9	149.7	55.1	0	0	0	0	121	S169	S169-T171 PolarHBondContact O-N 2.93Å
172	T	29.1	Very low	37.3	Very low	140 Å²	140	117.7 Å²	117.7	86%	0.859	61%	0.611	S	S	*	*			trans	77.4	63.3	164.8	68.2	0	0	0	0	118.2
173	Y	27.2	Very low	35.7	Very low	212 Å²	212	123.2 Å²	123.2	83%	0.831	64%	0.641	S	S	*	*			trans	-118.3	113	148.3	-151.6	-94.6	0	0	0	110.6	F175	Y173-F175 PolarHBondContact O-N 3.3Å
174	T	27.3	Very low	34.6	Very low	126 Å²	126	126.5 Å²	126.5	77%	0.773	66%	0.662	S	S	*	*			trans	-77	121.1	176.6	46.6	0	0	0	0	110.4	S176	T174-S176 PolarHBondContact O-N 3.2Å
175	F	28	Very low	33.3	Very low	170 Å²	170	128.1 Å²	128.1	75%	0.746	67%	0.673	S	S	*	*			trans	-70.6	89.7	175.3	-172.4	-93.8	0	0	0	110.6	Y173	Y173-F175 PolarHBondContact O-N 3.3Å
176	S	27.2	Very low	31.8	Very low	84 Å²	84	123.9 Å²	123.9	59%	0.587	67%	0.665	S	S	*	*			trans	-67.2	135.9	167.9	-162.9	0	0	0	0	109.3	T174 D178	T174-S176 PolarHBondContact O-N 3.2Å; S176-D178 PolarHBondContact O-N 2.95Å; S176-D178 PolarHBondContact OG-OD2 3.35Å
177	Q	27.8	Very low	30.5	Very low	134 Å²	134	130.1 Å²	130.1	63%	0.626	69%	0.693	S	S	*	*	S	Bend	trans	-81	18.9	-157	-141.2	163.4	1.4	0	0	114.5
178	D	25.8	Very low	29.1	Very low	124 Å²	124	131.8 Å²	131.8	66%	0.663	70%	0.704	S	S	*	*			trans	-95.7	8.6	-163.1	-55.8	-74.5	0	0	0	114.9	S176	S176-D178 PolarHBondContact O-N 2.95Å; S176-D178 PolarHBondContact OG-OD2 3.35Å
179	H	29.6	Very low	28.4	Very low	146 Å²	146	134.7 Å²	134.7	68%	0.676	72%	0.715	S	S	*	*			trans	-125.2	33.1	-174.8	-79.7	-6.2	0	0	0	114.9	T181	H179-T181 PolarHBondContact O-N 3.01Å
180	E	26	Very low	28.1	Very low	167 Å²	167	137 Å²	137	78%	0.78	72%	0.717	S	S	*	*			trans	-76	93.6	157.4	-71.1	-165	174	0	0	110.9
181	T	27.2	Very low	27.7	Very low	123 Å²	123	138 Å²	138	76%	0.755	72%	0.721	S	S	*	*			trans	-150.4	110.5	158.5	-49.9	0	0	0	0	110.2	H179	H179-T181 PolarHBondContact O-N 3.01Å
182	P	29.4	Very low	27.5	Very low	112 Å²	112	138.7 Å²	138.7	73%	0.727	72%	0.72	S	S	*	*			trans	-60.5	159.1	176.8	-25.3	35.4	0	0	0	113.7	N184	P182-N184 PolarHBondContact O-N 3.35Å
183	L	26.4	Very low	27.5	Very low	137 Å²	137	140 Å²	140	72%	0.717	71%	0.714	S	S	*	*			trans	-62.3	96.6	178.2	-81.4	95.6	0	0	0	112.2	L185	L183-L185 HydrophobicContact CB-CD1 3.8Å; L183-L185 HydrophobicContact CD2-CD1 3.93Å; L183-L185 HydrophobicContact CG-CD1 4.46Å; L183-L185 PolarHBondContact O-N 3.34Å; L183-L185 VanDerWaalsContact O-N 3.16Å
184	N	27	Very low	27.7	Very low	123 Å²	123	137 Å²	137	66%	0.658	71%	0.707	S	S	*	*			trans	-88.1	78.5	178.6	-157.3	-27.3	0	0	0	111.5	P182 T186	P182-N184 PolarHBondContact O-N 3.35Å; N184-T186 PolarHBondContact O-N 3.46Å; N184-T186 WeakPolarHBondContact OD1-CB 3.32Å; N184-T186 VanDerWaalsContact OD1-CG2 3.25Å; N184-T186 WeakPolarHBondContact OD1-CG2 3.48Å; N184-T186 PolarHBondContact OD1-OG1 3.14Å
185	L	27.8	Very low	27.9	Very low	112 Å²	112	137.4 Å²	137.4	59%	0.586	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	65.8	174.2	-84.4	78.2	0	0	0	111.5	L133 L183	L133-L185 HydrophobicContact CD1-CD2 4.31Å; L183-L185 HydrophobicContact CB-CD1 3.8Å; L183-L185 HydrophobicContact CD2-CD1 3.93Å; L183-L185 HydrophobicContact CG-CD1 4.46Å; L183-L185 PolarHBondContact O-N 3.34Å; L183-L185 VanDerWaalsContact O-N 3.16Å
186	T	26.8	Very low	28	Very low	80 Å²	80	132.6 Å²	132.6	49%	0.491	69%	0.692	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127	-1.4	177.9	58.6	0	0	0	0	115.1	L46 N184	L46-T186 HydrophobicContact CD1-CG2 4.07Å; N184-T186 PolarHBondContact O-N 3.46Å; N184-T186 WeakPolarHBondContact OD1-CB 3.32Å; N184-T186 VanDerWaalsContact OD1-CG2 3.25Å; N184-T186 WeakPolarHBondContact OD1-CG2 3.48Å; N184-T186 PolarHBondContact OD1-OG1 3.14Å
187	Q	25.6	Very low	28.1	Very low	171 Å²	171	136.1 Å²	136.1	80%	0.799	70%	0.704	S	S	*	*			trans	-134.7	123.3	177.9	-65.7	-167.9	-4	0	0	113.3	K189	Q187-K189 PolarHBondContact O-N 3.21Å
188	P	27	Very low	28.3	Very low	99 Å²	99	135.5 Å²	135.5	64%	0.643	71%	0.705	S	S	*	*			trans	-71	122.4	169.3	29.4	-32.3	0	0	0	109.8	M190	P188-M190 PolarHBondContact O-N 3.16Å
189	K	30.2	Very low	28.5	Very low	206 Å²	206	136.4 Å²	136.4	90%	0.896	72%	0.715	S	S	*	*			trans	-72.9	87.9	-179.3	-74.6	177.1	178.3	168.9	0	111.4	Q187 L191	Q187-K189 PolarHBondContact O-N 3.21Å; K189-L191 PolarHBondContact O-N 3.23Å
190	M	26.9	Very low	28.3	Very low	155 Å²	155	134.1 Å²	134.1	76%	0.764	72%	0.715	S	S	*	*			trans	-53.1	129.5	166.2	-83	-72.7	112.5	0	0	110.9	P188 N192	P188-M190 PolarHBondContact O-N 3.16Å; M190-N192 PolarHBondContact O-N 3.24Å
191	L	26	Very low	28.5	Very low	154 Å²	154	130.9 Å²	130.9	81%	0.806	71%	0.711	S	S	*	*			trans	-83.4	52.7	-168.9	-163.4	75.1	0	0	0	113	K189 K193	K189-L191 PolarHBondContact O-N 3.23Å; L191-K193 PolarHBondContact O-N 3.41Å
192	N	29.1	Very low	28.6	Very low	138 Å²	138	129.6 Å²	129.6	74%	0.738	71%	0.707	S	S	*	*			trans	-72.5	113.8	-179.8	-81.4	0.6	0	0	0	111.6	M190 E194	M190-N192 PolarHBondContact O-N 3.24Å; N192-E194 PolarHBondContact O-N 3.27Å
193	K	30.2	Very low	28.5	Very low	168 Å²	168	131.9 Å²	131.9	73%	0.73	71%	0.708	S	S	*	*			trans	-104.3	54.8	-172	-160.1	167.4	-171.3	163.6	0	112.1	L191 T195	L191-K193 PolarHBondContact O-N 3.41Å; K193-T195 PolarHBondContact O-N 2.97Å
194	E	30.3	Very low	28.6	Very low	148 Å²	148	131.2 Å²	131.2	69%	0.692	72%	0.715	S	S	*	*			trans	-78.6	102.7	-176.5	-69.7	-163.8	166.6	0	0	113.7	N192 N196	N192-E194 PolarHBondContact O-N 3.27Å; E194-N196 PolarHBondContact O-N 3.5Å; E194-N196 VanDerWaalsContact O-N 3.12Å; E194-N196 PolarHBondContact OE2-ND2 3.41Å
195	T	31.9	Very low	28.7	Very low	134 Å²	134	130.3 Å²	130.3	82%	0.822	72%	0.718	S	S	*	*			trans	-76.4	93.5	163.8	50.8	0	0	0	0	110.5	K193 N197	K193-T195 PolarHBondContact O-N 2.97Å; T195-N197 PolarHBondContact O-N 2.89Å
196	N	30.1	Very low	28.6	Very low	69 Å²	69	129.6 Å²	129.6	37%	0.369	72%	0.723	S	S	.	*			trans	-70.1	109.8	175.8	-90.7	-106.6	0	0	0	111.6	E194 K777	E194-N196 PolarHBondContact O-N 3.5Å; E194-N196 VanDerWaalsContact O-N 3.12Å; E194-N196 PolarHBondContact OE2-ND2 3.41Å; N196-K777 PolarHBondContact OD1-NZ 2.99Å
197	N	29.9	Very low	28.5	Very low	159 Å²	159	134.2 Å²	134.2	85%	0.85	74%	0.736	S	S	*	*			trans	-109.7	102.3	162.2	-91.2	-7.6	0	0	0	108.5	T195	T195-N197 PolarHBondContact O-N 2.89Å
198	N	30.6	Very low	28.4	Very low	120 Å²	120	132.9 Å²	132.9	64%	0.642	73%	0.734	S	S	*	*			trans	-128.7	99.7	173.7	-96	12.2	0	0	0	110.8
199	V	29.9	Very low	28.4	Very low	144 Å²	144	138.6 Å²	138.6	87%	0.873	74%	0.744	S	S	*	*			trans	-139.5	121	153.1	-179.2	0	0	0	0	106.9
200	S	26.5	Very low	28.1	Very low	97 Å²	97	137.2 Å²	137.2	68%	0.678	74%	0.74	S	S	*	*			trans	-160.4	116.4	-176.4	55.1	0	0	0	0	109.9
201	S	29.6	Very low	28.1	Very low	99 Å²	99	138.4 Å²	138.4	69%	0.692	74%	0.742	S	S	*	*			trans	174.5	101.8	175.3	47.1	0	0	0	0	104.6
202	S	29.1	Very low	28	Very low	97 Å²	97	137.4 Å²	137.4	68%	0.678	74%	0.737	S	S	*	*				84.6	151.5	93.1	66.2	0	0	0	0	111.3
203	E	28.4	Very low	27.9	Very low	160 Å²	160	137.3 Å²	137.3	75%	0.748	73%	0.732	S	S	*	*			cis	-131.5	171.3	12	-88.6	97.8	-114.8	0	0	113.5
204	S	27.7	Very low	27.6	Very low	122 Å²	122	135.8 Å²	135.8	85%	0.853	73%	0.728	S	S	*	*			trans	63.8	150.5	150.2	-66.7	0	0	0	0	119.9
205	S	28.9	Very low	27.5	Very low	104 Å²	104	135.3 Å²	135.3	73%	0.727	73%	0.73	S	S	*	*			cis	-144.7	134.1	-2.7	53.1	0	0	0	0	108.4
206	S	25	Very low	27.7	Very low	98 Å²	98	133.7 Å²	133.7	69%	0.685	72%	0.724	S	S	*	*				79.6	157.5	88.7	-155.9	0	0	0	0	116.3
207	F	24.8	Very low	27.9	Very low	176 Å²	176	136.1 Å²	136.1	77%	0.772	74%	0.744	S	S	*	*			trans	74.1	93.8	176.2	-63.9	-77.7	0	0	0	120
208	L	24.1	Very low	27.8	Very low	144 Å²	144	134.3 Å²	134.3	75%	0.754	73%	0.734	S	S	*	*				36.1	115.7	118.5	-75.5	157.5	0	0	0	118.8
209	Y	27	Very low	27.7	Very low	218 Å²	218	136.4 Å²	136.4	86%	0.855	74%	0.74	S	S	*	*				-161.9	129	97.8	-119.6	-85	0	0	0	111.2
210	H	23.9	Very low	27.7	Very low	177 Å²	177	132.8 Å²	132.8	82%	0.819	72%	0.721	S	S	*	*			trans	-143.7	92	167.9	-172.8	-69.7	0	0	0	108.6
211	F	26.3	Very low	27.8	Very low	180 Å²	180	136.1 Å²	136.1	79%	0.789	73%	0.73	S	S	*	*			trans	-135.9	149.5	167.2	-143.4	-97.1	0	0	0	111
212	N	25.7	Very low	27.9	Very low	134 Å²	134	139 Å²	139	72%	0.717	73%	0.729	S	S	*	*			trans	-104.1	-177.8	-169.2	-165.5	0.3	0	0	0	110.1
213	Q	25.5	Very low	27.8	Very low	135 Å²	135	139.5 Å²	139.5	63%	0.631	73%	0.733	S	S	*	*			trans	102.1	108.8	157.9	-54.1	-128.3	83.2	0	0	118
214	Q	25.6	Very low	27.9	Very low	136 Å²	136	136.9 Å²	136.9	64%	0.636	73%	0.732	S	S	*	*				102.1	134.8	120.5	-79.4	178.4	29.8	0	0	121.4
215	N	26.2	Very low	27.9	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	73%	0.733	S	S	*	*			trans	82.5	97.3	150.3	-56.5	-18	0	0	0	120.1
216	S	37	Very low	27.9	Very low	100 Å²	100	144.3 Å²	144.3	70%	0.699	74%	0.739	S	S	*	*			trans	-52.8	162.2	146.6	-148	0	0	0	0	111.7	D218	S216-D218 PolarHBondContact OG-N 3.09Å
217	P	34	Very low	27.9	Very low	120 Å²	120	144 Å²	144	78%	0.779	74%	0.737	S	S	*	*				-123.7	150.5	76.6	5.2	17.1	0	0	0	113
218	D	28.9	Very low	28	Very low	120 Å²	120	144.1 Å²	144.1	64%	0.642	74%	0.737	S	S	*	*			cis	91.8	156.5	34.1	-168.5	37.2	0	0	0	114.4	S216	S216-D218 PolarHBondContact OG-N 3.09Å
219	Q	28.5	Very low	28.1	Very low	165 Å²	165	144.4 Å²	144.4	77%	0.771	74%	0.739	S	S	*	*			trans	74.8	104.2	-179.5	-49.7	-173.8	27.3	0	0	114.2
220	S	30.1	Very low	28.1	Very low	67 Å²	67	138.9 Å²	138.9	47%	0.469	73%	0.732	S	S	.	*			cis	76.3	108.3	20.9	122.9	0	0	0	0	116	K222	S220-K222 WeakPolarHBondContact OG-CE 3.44Å
221	I	28.5	Very low	28.1	Very low	168 Å²	168	135 Å²	135	86%	0.862	73%	0.725	S	S	*	*			trans	-142.9	96.9	155.9	-64.5	-175.3	0	0	0	104.4
222	K	30.6	Very low	28.3	Very low	158 Å²	158	132.5 Å²	132.5	69%	0.687	73%	0.725	S	S	*	*				53.4	119.9	63.9	-62.6	177.7	179.5	164	0	111.5	S220	S220-K222 WeakPolarHBondContact OG-CE 3.44Å
223	S	27.2	Very low	28.8	Very low	109 Å²	109	130.9 Å²	130.9	76%	0.762	72%	0.721	S	S	*	*				-163.8	148	62.4	-59.6	0	0	0	0	109.3
224	S	29.8	Very low	28.9	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	73%	0.728	S	S	*	*			cis	74.2	94.4	42.8	-51.2	0	0	0	0	114.3
225	K	29.3	Very low	29	Very low	200 Å²	200	129.2 Å²	129.2	87%	0.87	73%	0.729	S	S	*	*			trans	176.8	116.2	155	-97.4	156.3	-172.7	-179.7	0	106
226	Q	27.1	Very low	29	Very low	182 Å²	182	128.9 Å²	128.9	85%	0.85	73%	0.727	S	S	*	*			cis	71.1	137.6	24.2	-145.6	-175	31.3	0	0	113.6
227	S	26.2	Very low	28.7	Very low	91 Å²	91	131.8 Å²	131.8	64%	0.636	73%	0.733	S	S	*	*			trans	67.3	149.3	-166.2	77	0	0	0	0	114.2
228	F	26.9	Very low	28.3	Very low	179 Å²	179	130.1 Å²	130.1	79%	0.785	72%	0.724	S	S	*	*			cis	-117	149.5	-2.7	-82.4	-101.9	0	0	0	109.9
229	L	24.9	Very low	28.1	Very low	150 Å²	150	130.9 Å²	130.9	79%	0.785	73%	0.726	S	S	*	*				73.3	84.8	54	-89.6	168.5	0	0	0	115.4
230	S	27	Very low	27.9	Very low	103 Å²	103	129.5 Å²	129.5	72%	0.72	72%	0.724	S	S	*	*			trans	-172.8	106.1	145.4	44.6	0	0	0	0	109.4
231	S	25.6	Very low	27.7	Very low	94 Å²	94	132.5 Å²	132.5	66%	0.657	74%	0.735	S	S	*	*				65.1	90.1	81.2	73.8	0	0	0	0	112.7
232	T	29	Very low	27.5	Very low	129 Å²	129	130.7 Å²	130.7	79%	0.791	73%	0.725	S	S	*	*				73.8	154.1	83.6	59.2	0	0	0	0	114.6
233	P	37	Very low	27.2	Very low	99 Å²	99	130.3 Å²	130.3	64%	0.643	73%	0.731	S	S	*	*			cis	-132.3	-148.4	-27.7	31.1	-7.8	0	0	0	110
234	D	27	Very low	27.1	Very low	143 Å²	143	134.1 Å²	134.1	77%	0.765	74%	0.737	S	S	*	*			trans	71.4	146.6	153.3	-65.3	-14.3	0	0	0	118.9
235	S	27.7	Very low	27.2	Very low	94 Å²	94	136.9 Å²	136.9	66%	0.657	74%	0.741	S	S	*	*			cis	-152.8	156.2	-3.6	37.2	0	0	0	0	113.2
236	N	26.7	Very low	27.2	Very low	132 Å²	132	132.2 Å²	132.2	71%	0.706	73%	0.732	S	S	*	*			trans	19.4	123.4	139.4	-47.6	-40.3	0	0	0	118.7
237	I	31.1	Very low	27.2	Very low	161 Å²	161	131.5 Å²	131.5	83%	0.826	73%	0.728	S	S	*	*				-165.3	117.4	112.4	-95.5	151.1	0	0	0	105.4
238	S	24.5	Very low	27.1	Very low	84 Å²	84	130.4 Å²	130.4	59%	0.587	72%	0.721	S	S	*	*				69.6	145	55.5	-54.1	0	0	0	0	111.1
239	I	24.8	Very low	27.3	Very low	136 Å²	136	129.7 Å²	129.7	70%	0.697	72%	0.723	S	S	*	*			cis	-164.8	159.2	-7.4	-119.6	169.2	0	0	0	106.8
240	N	25.4	Very low	27.7	Very low	136 Å²	136	126.6 Å²	126.6	73%	0.727	71%	0.712	S	S	*	*			trans	71.9	161.1	155.1	-87.6	-9.8	0	0	0	123.8
241	L	25.1	Very low	27.9	Very low	131 Å²	131	134 Å²	134	69%	0.686	73%	0.725	S	S	*	*			trans	72.4	106.5	148	-93	48.4	0	0	0	117.1
242	I	24.4	Very low	27.9	Very low	129 Å²	129	135.3 Å²	135.3	66%	0.662	72%	0.724	S	S	*	*				87.5	124.2	59.5	-73.9	173.9	0	0	0	112.2
243	N	24.3	Very low	27.7	Very low	150 Å²	150	136.6 Å²	136.6	80%	0.802	72%	0.721	S	S	*	*			trans	66.4	148.8	177.8	-55.5	-24.8	0	0	0	113.6
244	Q	26.5	Very low	27.2	Very low	190 Å²	190	141.1 Å²	141.1	89%	0.888	73%	0.73	S	S	*	*			cis	-131.9	142	22.2	-66.4	166.7	-6.8	0	0	113.9
245	I	30.4	Very low	27.2	Very low	161 Å²	161	138.4 Å²	138.4	83%	0.826	72%	0.722	S	S	*	*			trans	-108.4	153.1	154.8	-66	169.7	0	0	0	105
246	P	30.7	Very low	27.1	Very low	103 Å²	103	139.8 Å²	139.8	67%	0.669	72%	0.723	S	S	*	*			cis	-117.9	-132.6	-15.8	39.4	-24.1	0	0	0	110.3
247	Q	26.1	Very low	27.2	Very low	166 Å²	166	138.9 Å²	138.9	78%	0.776	72%	0.724	S	S	*	*			trans	96	141.7	165.9	-52.6	-78.2	-49.5	0	0	116.2
248	S	25.2	Very low	26.8	Very low	69 Å²	69	139.5 Å²	139.5	48%	0.483	73%	0.728	S	S	.	*				174.5	124.4	-60.5	49.9	0	0	0	0	110.3
249	I	31.1	Very low	26.7	Very low	163 Å²	163	139.4 Å²	139.4	84%	0.836	73%	0.727	S	S	*	*			trans	63	-162.8	163.8	-38.2	151.3	0	0	0	108.6
250	P	32.1	Very low	26.7	Very low	86 Å²	86	140.4 Å²	140.4	56%	0.558	73%	0.734	S	S	*	*			cis	-110.7	142.7	-37.8	-2.4	26.2	0	0	0	115.8	L252	P250-L252 HydrophobicContact CB-CB 3.77Å; P250-L252 HydrophobicContact CB-CD1 3.64Å; P250-L252 HydrophobicContact CB-CG 4.22Å; P250-L252 HydrophobicContact CG-CD1 4.44Å
251	W	31.1	Very low	26.7	Very low	258 Å²	258	137.1 Å²	137.1	98%	0.977	73%	0.732	S	S	*	*			trans	-148.7	67.1	136.4	63.8	-49.2	0	0	0	108.4
252	L	25	Very low	26.8	Very low	121 Å²	121	138.4 Å²	138.4	63%	0.634	74%	0.739	S	S	*	*				82.5	116.1	60.1	-164.8	86.7	0	0	0	112	P250	P250-L252 HydrophobicContact CB-CB 3.77Å; P250-L252 HydrophobicContact CB-CD1 3.64Å; P250-L252 HydrophobicContact CB-CG 4.22Å; P250-L252 HydrophobicContact CG-CD1 4.44Å
253	Q	25.1	Very low	26.7	Very low	157 Å²	157	137.6 Å²	137.6	73%	0.734	74%	0.74	S	S	*	*			trans	37.3	111.9	153.8	-61	170.1	-65.8	0	0	117.9
254	K	26.3	Very low	26.6	Very low	194 Å²	194	135.7 Å²	135.7	84%	0.843	74%	0.738	S	S	*	*				-142.3	125.4	102.7	-114.8	167.8	-173.7	178.7	0	113.1
255	S	27.6	Very low	26.5	Very low	85 Å²	85	132.8 Å²	132.8	59%	0.594	73%	0.733	S	S	*	*			trans	-71.7	-162.4	149.5	49.8	0	0	0	0	109.1
256	D	26.2	Very low	26.1	Very low	124 Å²	124	129.2 Å²	129.2	66%	0.663	72%	0.722	S	S	*	*			trans	88.1	134.5	164.5	-40	-19	0	0	0	114.6
257	P	27.6	Very low	25.9	Very low	112 Å²	112	131.6 Å²	131.6	73%	0.727	73%	0.729	S	S	*	*			cis	-135.7	159.7	-23.4	35.7	-18	0	0	0	115.1
258	L	23.4	Very low	25.9	Very low	174 Å²	174	127 Å²	127	91%	0.911	73%	0.726	S	S	*	*	S	Bend	trans	-66.7	139	150.4	-83	159	0	0	0	108.6
259	S	23.4	Very low	25.9	Very low	83 Å²	83	131.4 Å²	131.4	58%	0.58	74%	0.744	S	S	*	*			trans	70.8	149.8	-176.4	81.7	0	0	0	0	114.5
260	N	24.5	Very low	25.8	Very low	156 Å²	156	130.5 Å²	130.5	83%	0.834	75%	0.747	S	S	*	*			cis	-140.1	162.8	21.1	-80.2	-76.7	0	0	0	113.8
261	G	25	Very low	25.4	Very low	67 Å²	67	133.4 Å²	133.4	69%	0.691	76%	0.757	S	S	*	*	S	Bend	trans	99	121.8	168.7	0	0	0	0	0	113.3
262	L	26.1	Very low	25.2	Very low	158 Å²	158	128.1 Å²	128.1	83%	0.827	75%	0.753	S	S	*	*			cis	-133.1	107.7	-2.1	-80.3	165.2	0	0	0	107.5
263	T	22.8	Very low	25.1	Very low	113 Å²	113	127.5 Å²	127.5	69%	0.693	75%	0.754	S	S	*	*				67.2	138.6	99.5	59.4	0	0	0	0	116.1
264	C	22.1	Very low	25	Very low	110 Å²	110	127.1 Å²	127.1	74%	0.743	76%	0.757	S	S	*	*			trans	82.1	103.1	165.7	-56.6	0	0	0	0	117.4
265	T	23.8	Very low	24.9	Very low	129 Å²	129	122.5 Å²	122.5	79%	0.791	75%	0.749	S	S	*	*				49	138.2	124.4	59.1	0	0	0	0	120.3
266	S	24	Very low	24.8	Very low	85 Å²	85	126.9 Å²	126.9	59%	0.594	76%	0.76	S	S	*	*			cis	171	165	-8.3	47.3	0	0	0	0	106.6
267	N	26.3	Very low	24.7	Very low	154 Å²	154	125.7 Å²	125.7	82%	0.824	76%	0.761	S	S	*	*			trans	72	99.9	163.4	-47	-26.1	0	0	0	117.2
268	G	26	Very low	24.5	Very low	68 Å²	68	125.9 Å²	125.9	70%	0.701	76%	0.756	S	S	*	*				90.3	143.4	115.7	0	0	0	0	0	119
269	N	25.3	Very low	24.6	Very low	162 Å²	162	126.2 Å²	126.2	87%	0.866	76%	0.758	S	S	*	*			trans	70.5	86.7	165.3	-49.7	-6.1	0	0	0	116.9
270	T	27.8	Very low	24.6	Very low	145 Å²	145	127.8 Å²	127.8	89%	0.89	76%	0.764	S	S	*	*			trans	-165.3	144.8	134.6	26.1	0	0	0	0	109.4
271	D	23.8	Very low	24.6	Very low	147 Å²	147	124.7 Å²	124.7	79%	0.786	75%	0.754	S	S	*	*			trans	-86.6	139	-170.3	-47.2	-90.8	0	0	0	113.8
272	V	27.5	Very low	24.5	Very low	146 Å²	146	126.8 Å²	126.8	89%	0.885	76%	0.759	S	S	*	*			trans	-139.6	116.2	151.8	-177.5	0	0	0	0	108
273	T	23.3	Very low	24.4	Very low	108 Å²	108	128.2 Å²	128.2	66%	0.663	76%	0.759	S	S	*	*			trans	-137.7	166.2	-180	56.5	0	0	0	0	109.7
274	L	23.2	Very low	24.6	Very low	150 Å²	150	128 Å²	128	79%	0.785	75%	0.753	S	S	*	*			trans	66.6	145.1	174.9	-82.2	66.7	0	0	0	114.1
275	S	23.3	Very low	24.8	Very low	96 Å²	96	131.8 Å²	131.8	67%	0.671	75%	0.752	S	S	*	*			cis	111	174.2	23.8	86.3	0	0	0	0	111.6
276	E	24.8	Very low	24.9	Very low	178 Å²	178	133.8 Å²	133.8	83%	0.832	76%	0.757	S	S	*	*	S	Bend	trans	-65.3	168.4	173	-60.8	165.4	121.4	0	0	112.1
277	S	24	Very low	25.1	Very low	98 Å²	98	133.4 Å²	133.4	69%	0.685	76%	0.755	S	S	*	*			trans	85.8	156.5	177.6	80.4	0	0	0	0	118.2
278	N	24.2	Very low	25.1	Very low	117 Å²	117	132.4 Å²	132.4	63%	0.626	75%	0.749	S	S	*	*			trans	72.9	75.9	169.1	-56.6	-39.8	0	0	0	119.6	T280	N278-T280 PolarHBondContact OD1-OG1 3.21Å
279	L	25.5	Very low	25.2	Very low	180 Å²	180	136.5 Å²	136.5	94%	0.942	75%	0.747	S	S	*	*			trans	-110.7	23.1	138.3	-79.3	179.7	0	0	0	112.9	S281	L279-S281 PolarHBondContact O-N 2.89Å
280	T	23.1	Very low	25.3	Very low	117 Å²	117	134 Å²	134	72%	0.718	74%	0.742	S	S	*	*			trans	-76.6	61.7	165.2	32.7	0	0	0	0	111.4	N278	N278-T280 PolarHBondContact OD1-OG1 3.21Å
281	S	24.2	Very low	25.2	Very low	90 Å²	90	133.3 Å²	133.3	63%	0.629	73%	0.733	S	S	*	*			trans	-136	76.6	177.3	-76	0	0	0	0	112.5	L279 F283	L279-S281 PolarHBondContact O-N 2.89Å; S281-F283 PolarHBondContact O-N 3.44Å
282	S	23.2	Very low	25.3	Very low	112 Å²	112	129.5 Å²	129.5	78%	0.783	73%	0.729	S	S	*	*			trans	28.4	90	132.4	-55.4	0	0	0	0	119
283	F	25.3	Very low	25.5	Very low	188 Å²	188	131 Å²	131	83%	0.825	72%	0.724	S	S	*	*			trans	-131	54.9	155.1	-91.8	-72.2	0	0	0	113.8	S281 W285	S281-F283 PolarHBondContact O-N 3.44Å; F283-W285 VanDerWaalsContact O-CD1 3.25Å; F283-W285 PolarHBondContact O-N 3.19Å
284	N	25.8	Very low	26	Very low	109 Å²	109	134.5 Å²	134.5	58%	0.583	73%	0.733	S	S	*	*			trans	47.5	37	130.8	-152.8	24.2	0	0	0	120.6	L286 S287	N284-L286 PolarHBondContact O-N 3.05Å; N284-S287 PolarHBondContact ND2-OG 3.28Å; N284-S287 PolarHBondContact O-N 2.9Å; N284-S287 PolarHBondContact OD1-OG 3.34Å
285	W	27.3	Very low	26.4	Very low	188 Å²	188	132.3 Å²	132.3	71%	0.712	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-64.8	-16.4	174.8	-86.2	82.3	0	0	0	114.6	F283 S287 F289	F283-W285 VanDerWaalsContact O-CD1 3.25Å; F283-W285 PolarHBondContact O-N 3.19Å; W285-S287 PolarHBondContact O-N 3.48Å; W285-F289 AromaticContact CE3-CE2 3.97Å; W285-F289 HydrophobicContact CE3-CE2 3.97Å; W285-F289 HydrophobicContact CE3-CZ 4.48Å; W285-F289 HydrophobicContact CZ3-CE2 4.35Å; W285-F289 HydrophobicContact CZ3-CZ 4.41Å
286	L	25.2	Very low	26.9	Very low	171 Å²	171	131 Å²	131	90%	0.895	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-72.2	-9.1	179	-73	169.2	0	0	0	114.4	N284	N284-L286 PolarHBondContact O-N 3.05Å
287	S	27.8	Very low	27.2	Very low	78 Å²	78	128 Å²	128	55%	0.545	70%	0.7	S	S	.	*	G	3₁₀ helix	trans	-98.4	0.5	178.5	-58.9	0	0	0	0	115.2	N284 W285	N284-S287 PolarHBondContact ND2-OG 3.28Å; N284-S287 PolarHBondContact O-N 2.9Å; N284-S287 PolarHBondContact OD1-OG 3.34Å; W285-S287 PolarHBondContact O-N 3.48Å
288	L	27.2	Very low	28	Very low	133 Å²	133	131.2 Å²	131.2	70%	0.696	70%	0.697	S	S	*	*	S	Bend	trans	-108	-5.9	-171.2	-92.7	161.2	0	0	0	115.7
289	F	27.7	Very low	28.3	Very low	154 Å²	154	128.8 Å²	128.8	68%	0.675	68%	0.684	S	S	*	*			trans	-101.5	30.1	-178.4	-74.6	-73.5	0	0	0	114.2	W285	W285-F289 AromaticContact CE3-CE2 3.97Å; W285-F289 HydrophobicContact CE3-CE2 3.97Å; W285-F289 HydrophobicContact CE3-CZ 4.48Å; W285-F289 HydrophobicContact CZ3-CE2 4.35Å; W285-F289 HydrophobicContact CZ3-CZ 4.41Å
290	S	26.4	Very low	28.7	Very low	109 Å²	109	123.7 Å²	123.7	76%	0.762	66%	0.657	S	S	*	*			trans	-92.5	-13.8	177.2	-60.5	0	0	0	0	114.4
291	D	26.6	Very low	29.1	Very low	130 Å²	130	124.9 Å²	124.9	70%	0.695	65%	0.654	S	S	*	*	S	Bend	trans	-98	111.6	174.8	-87.6	-31	0	0	0	110.4	K293	D291-K293 PolarHBondContact O-N 3.47Å
292	G	25.6	Very low	29.4	Very low	68 Å²	68	127.7 Å²	127.7	70%	0.701	66%	0.658	S	S	*	*			trans	-70	84	-177	0	0	0	0	0	113.6
293	K	31.5	Very low	29.7	Very low	177 Å²	177	128.2 Å²	128.2	77%	0.77	65%	0.65	S	S	*	*			trans	-131.8	142.6	174	-69.4	172.4	-175.5	158.9	0	110.3	D291	D291-K293 PolarHBondContact O-N 3.47Å
294	E	33.7	Very low	29.8	Very low	182 Å²	182	124.3 Å²	124.3	85%	0.85	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-63.9	145.7	-166.9	-60.6	174.1	168.2	0	0	113.5
295	L	32	Very low	30.1	Very low	103 Å²	103	123.7 Å²	123.7	54%	0.539	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-67.3	125.4	175.3	-162.3	77	0	0	0	109.6	N297 L299	L295-N297 PolarHBondContact O-N 2.9Å; L295-L299 HydrophobicContact CD1-CD2 4.32Å; L295-L299 HydrophobicContact CD2-CD2 4.26Å; L295-L299 HydrophobicContact CG-CD2 4.28Å
296	P	34.7	Very low	30.2	Very low	68 Å²	68	120.7 Å²	120.7	44%	0.442	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-59.5	127.7	-172.2	-28.2	36	0	0	0	114	W298 L299	P296-W298 VanDerWaalsContact CB-CD1 3.47Å; P296-W298 HydrophobicContact CB-CG 4.47Å; P296-W298 PolarHBondContact O-N 3.15Å; P296-L299 WeakPolarHBondContact O-CB 3.35Å; P296-L299 PolarHBondContact O-N 3.41Å
297	N	31.1	Very low	30.4	Very low	117 Å²	117	118.3 Å²	118.3	63%	0.626	64%	0.639	S	S	*	*	H	α-helix	trans	-55.3	-26.7	-177.1	-83.1	-63.6	0	0	0	114.6	L295 L299 L300 E301	L295-N297 PolarHBondContact O-N 2.9Å; N297-L299 PolarHBondContact O-N 2.98Å; N297-L300 WeakPolarHBondContact O-CB 3.23Å; N297-L300 PolarHBondContact O-N 3.37Å; N297-L300 VanDerWaalsContact O-N 3.15Å; N297-E301 PolarHBondContact O-N 3.04Å
298	W	40.6	Very low	30.4	Very low	165 Å²	165	121.9 Å²	121.9	63%	0.625	65%	0.647	S	S	*	*	H	α-helix	trans	-63.9	-29.3	175.7	75.8	-96.2	0	0	0	112.8	P296 E301 Q302	P296-W298 VanDerWaalsContact CB-CD1 3.47Å; P296-W298 HydrophobicContact CB-CG 4.47Å; P296-W298 PolarHBondContact O-N 3.15Å; W298-E301 PolarHBondContact O-N 2.74Å; W298-Q302 HydrophobicContact CE3-CG 4.03Å; W298-Q302 HydrophobicContact CZ3-CG 4.21Å; W298-Q302 WeakPolarHBondContact O-CG 3.43Å; W298-Q302 PolarHBondContact O-N 2.9Å; W298-Q302 VanDerWaalsContact O-N 3.09Å
299	L	30.7	Very low	30.5	Very low	65 Å²	65	124.1 Å²	124.1	34%	0.34	65%	0.651	S	S	.	*	H	α-helix	trans	-72.8	-35.4	175.5	-168.2	65.1	0	0	0	110.9	L295 P296 N297 E301 Q302 I303	L295-L299 HydrophobicContact CD1-CD2 4.32Å; L295-L299 HydrophobicContact CD2-CD2 4.26Å; L295-L299 HydrophobicContact CG-CD2 4.28Å; P296-L299 WeakPolarHBondContact O-CB 3.35Å; P296-L299 PolarHBondContact O-N 3.41Å; N297-L299 PolarHBondContact O-N 2.98Å; L299-E301 VanDerWaalsContact C-N 3.34Å; L299-Q302 PolarHBondContact O-N 2.78Å; L299-I303 HydrophobicContact CG-CD1 4.45Å; L299-I303 WeakPolarHBondContact O-CD1 3.4Å; L299-I303 VanDerWaalsContact O-CG1 3.31Å; L299-I303 WeakPolarHBondContact O-CG1 3.26Å; L299-I303 PolarHBondContact O-N 3.33Å
300	L	33.2	Very low	30.5	Very low	73 Å²	73	122.5 Å²	122.5	38%	0.382	65%	0.647	S	S	.	*	H	α-helix	trans	-64.7	-34.7	169.7	-87.8	153.5	0	0	0	112.3	N297 I303 I304	N297-L300 WeakPolarHBondContact O-CB 3.23Å; N297-L300 PolarHBondContact O-N 3.37Å; N297-L300 VanDerWaalsContact O-N 3.15Å; L300-I303 PolarHBondContact O-N 3.36Å; L300-I304 WeakPolarHBondContact O-CG1 3.38Å
301	E	31.7	Very low	30.7	Very low	142 Å²	142	125.4 Å²	125.4	66%	0.664	65%	0.646	S	S	*	*	H	α-helix	trans	-70.8	-36.8	174.7	-70.2	-172.6	144.3	0	0	113	N297 W298 L299 I303 I304	N297-E301 PolarHBondContact O-N 3.04Å; W298-E301 PolarHBondContact O-N 2.74Å; L299-E301 VanDerWaalsContact C-N 3.34Å; E301-I303 PolarHBondContact O-N 3.39Å; E301-I304 PolarHBondContact O-N 3.1Å
302	Q	30.2	Very low	30.8	Very low	150 Å²	150	125.8 Å²	125.8	70%	0.701	65%	0.647	S	S	*	*	H	α-helix	trans	-66.9	-22	175.1	-68.5	-67	-30.2	0	0	113.5	W298 L299 I304	W298-Q302 HydrophobicContact CE3-CG 4.03Å; W298-Q302 HydrophobicContact CZ3-CG 4.21Å; W298-Q302 WeakPolarHBondContact O-CG 3.43Å; W298-Q302 PolarHBondContact O-N 2.9Å; W298-Q302 VanDerWaalsContact O-N 3.09Å; L299-Q302 PolarHBondContact O-N 2.78Å; Q302-I304 VanDerWaalsContact C-N 3.34Å
303	I	28.9	Very low	31	Very low	123 Å²	123	129.8 Å²	129.8	63%	0.631	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-2.5	179.6	-67.2	166.5	0	0	0	111.9	L299 L300 E301 P305	L299-I303 HydrophobicContact CG-CD1 4.45Å; L299-I303 WeakPolarHBondContact O-CD1 3.4Å; L299-I303 VanDerWaalsContact O-CG1 3.31Å; L299-I303 WeakPolarHBondContact O-CG1 3.26Å; L299-I303 PolarHBondContact O-N 3.33Å; L300-I303 PolarHBondContact O-N 3.36Å; E301-I303 PolarHBondContact O-N 3.39Å; I303-P305 WeakPolarHBondContact O-CD 3.37Å
304	I	28.4	Very low	31	Very low	106 Å²	106	123.3 Å²	123.3	54%	0.544	62%	0.624	S	S	.	*	S	Bend	trans	-100.7	111.2	176.6	-63	166	0	0	0	110.1	L300 E301 Q302 T306	L300-I304 WeakPolarHBondContact O-CG1 3.38Å; E301-I304 PolarHBondContact O-N 3.1Å; Q302-I304 VanDerWaalsContact C-N 3.34Å; I304-T306 PolarHBondContact O-N 2.91Å
305	P	31.3	Very low	30.7	Very low	95 Å²	95	118.6 Å²	118.6	62%	0.617	60%	0.604	S	S	*	*			trans	-67.6	98.2	172.9	-18.9	33.3	0	0	0	110.7	I303 M310	I303-P305 WeakPolarHBondContact O-CD 3.37Å; P305-M310 HydrophobicContact CB-CE 4.3Å; P305-M310 HydrophobicContact CG-CE 4.36Å
306	T	29.7	Very low	30.6	Very low	126 Å²	126	115.7 Å²	115.7	77%	0.773	59%	0.592	S	S	*	*			trans	-65.1	141.9	167.6	46	0	0	0	0	109.8	I304 E308	I304-T306 PolarHBondContact O-N 2.91Å; T306-E308 PolarHBondContact O-N 2.78Å
307	S	28.6	Very low	30.6	Very low	120 Å²	120	118.1 Å²	118.1	84%	0.839	60%	0.598	S	S	*	*	S	Bend	trans	-83.1	70.5	-155.2	64.2	0	0	0	0	114.6
308	E	28.9	Very low	30.7	Very low	154 Å²	154	114.8 Å²	114.8	72%	0.72	58%	0.583	S	S	*	*	S	Bend	trans	-164.1	134.2	153.5	-114.5	176.4	-151.7	0	0	113.9	T306	T306-E308 PolarHBondContact O-N 2.78Å
309	K	28.2	Very low	30.4	Very low	179 Å²	179	109.5 Å²	109.5	78%	0.778	57%	0.567	S	S	*	*			trans	59.1	54.7	158.4	-56.2	169.2	-173.8	156.9	0	118.4
310	M	28.5	Very low	30.8	Very low	120 Å²	120	109.8 Å²	109.8	59%	0.591	57%	0.569	S	S	*	*			trans	-64.3	138.5	160.3	-97.6	-171	173.1	0	0	111.9	P305	P305-M310 HydrophobicContact CB-CE 4.3Å; P305-M310 HydrophobicContact CG-CE 4.36Å
311	K	29.7	Very low	31.4	Very low	170 Å²	170	110.4 Å²	110.4	74%	0.739	58%	0.576	S	S	*	*			trans	-86.6	153.4	174.1	-67.5	175.3	-179.8	173.4	0	110.1	H313 S314	K311-H313 PolarHBondContact O-N 3.08Å; K311-S314 WeakPolarHBondContact O-CB 3.03Å; K311-S314 PolarHBondContact O-N 3.22Å
312	I	29.1	Very low	31.8	Very low	139 Å²	139	107.6 Å²	107.6	71%	0.713	57%	0.565	S	S	*	*	H	α-helix	trans	-50.4	-36.8	-176.8	-63.5	171.4	0	0	0	112.7	S314 I315	I312-S314 VanDerWaalsContact C-N 3.26Å; I312-S314 PolarHBondContact O-N 3.33Å; I312-I315 WeakPolarHBondContact O-CB 3.41Å; I312-I315 PolarHBondContact O-N 3.01Å; I312-I315 VanDerWaalsContact O-N 3.1Å
313	H	30.6	Very low	32.6	Very low	151 Å²	151	102.2 Å²	102.2	70%	0.699	54%	0.542	S	S	*	.	H	α-helix	trans	-63.2	-27.7	-179	-150.7	-49	0	0	0	114.1	K311	K311-H313 PolarHBondContact O-N 3.08Å
314	S	30.2	Very low	33.7	Very low	42 Å²	42	101.9 Å²	101.9	29%	0.294	54%	0.538	S	S	.	.	H	α-helix	trans	-78	-25	176.4	-53.1	0	0	0	0	112.5	K311 I312 S316 Q317 S318	K311-S314 WeakPolarHBondContact O-CB 3.03Å; K311-S314 PolarHBondContact O-N 3.22Å; I312-S314 VanDerWaalsContact C-N 3.26Å; I312-S314 PolarHBondContact O-N 3.33Å; S314-S316 VanDerWaalsContact C-N 3.35Å; S314-Q317 PolarHBondContact O-N 3.32Å; S314-S318 PolarHBondContact O-N 2.65Å; S314-S318 VanDerWaalsContact O-N 3.16Å; S314-S318 PolarHBondContact O-OG 3.16Å
315	I	27.7	Very low	34.7	Very low	82 Å²	82	101 Å²	101	42%	0.421	54%	0.537	S	S	.	.	H	α-helix	trans	-71.4	-32.5	-178.8	-58.5	177.1	0	0	0	110.9	I312 S318 N319	I312-I315 WeakPolarHBondContact O-CB 3.41Å; I312-I315 PolarHBondContact O-N 3.01Å; I312-I315 VanDerWaalsContact O-N 3.1Å; I315-S318 WeakPolarHBondContact CA-OG 3.29Å; I315-S318 PolarHBondContact O-OG 2.84Å; I315-N319 PolarHBondContact O-N 3.08Å; I315-N319 PolarHBondContact O-ND2 3.23Å; I315-N319 PolarHBondContact O-OD1 3.26Å
316	S	30.1	Very low	35.5	Very low	42 Å²	42	99 Å²	99	29%	0.294	52%	0.521	S	S	.	.	H	α-helix	trans	-59.3	-55.6	171.6	-161.5	0	0	0	0	110.3	S314 S318 N319 D320	S314-S316 VanDerWaalsContact C-N 3.35Å; S316-S318 VanDerWaalsContact C-N 3.28Å; S316-S318 PolarHBondContact O-N 3.36Å; S316-N319 WeakPolarHBondContact O-CA 3.49Å; S316-N319 WeakPolarHBondContact O-CB 3.42Å; S316-N319 PolarHBondContact O-N 3.24Å; S316-D320 VanDerWaalsContact C-OD2 3.31Å; S316-D320 PolarHBondContact O-N 2.88Å
317	Q	35.7	Very low	36.4	Very low	120 Å²	120	94.6 Å²	94.6	56%	0.561	49%	0.492	S	S	*	.	H	α-helix	trans	-58	-37.4	-177.8	-65.9	175.5	-46.7	0	0	112.6	S314 V321	S314-Q317 PolarHBondContact O-N 3.32Å; Q317-V321 VanDerWaalsContact O-CG2 3.31Å; Q317-V321 WeakPolarHBondContact O-CG2 3.25Å; Q317-V321 PolarHBondContact O-N 3.49Å; Q317-V321 VanDerWaalsContact O-N 3.14Å
318	S	32.6	Very low	37.6	Very low	47 Å²	47	92.6 Å²	92.6	33%	0.329	47%	0.472	S	S	.	.	H	α-helix	trans	-68	-34	174	54.1	0	0	0	0	113.6	S314 I315 S316 I322	S314-S318 PolarHBondContact O-N 2.65Å; S314-S318 VanDerWaalsContact O-N 3.16Å; S314-S318 PolarHBondContact O-OG 3.16Å; I315-S318 WeakPolarHBondContact CA-OG 3.29Å; I315-S318 PolarHBondContact O-OG 2.84Å; S316-S318 VanDerWaalsContact C-N 3.28Å; S316-S318 PolarHBondContact O-N 3.36Å; S318-I322 WeakPolarHBondContact O-CD1 3.32Å; S318-I322 VanDerWaalsContact O-CG1 3.22Å; S318-I322 WeakPolarHBondContact O-CG1 3.44Å; S318-I322 PolarHBondContact O-N 2.96Å; S318-I322 VanDerWaalsContact O-N 3.1Å
319	N	34	Very low	38.6	Very low	54 Å²	54	87.5 Å²	87.5	29%	0.289	45%	0.446	S	S	.	.	H	α-helix	trans	-71.2	-40.6	177.1	-68.2	-15.9	0	0	0	111.3	I315 S316 I322 T323	I315-N319 PolarHBondContact O-N 3.08Å; I315-N319 PolarHBondContact O-ND2 3.23Å; I315-N319 PolarHBondContact O-OD1 3.26Å; S316-N319 WeakPolarHBondContact O-CA 3.49Å; S316-N319 WeakPolarHBondContact O-CB 3.42Å; S316-N319 PolarHBondContact O-N 3.24Å; N319-I322 PolarHBondContact O-N 3.41Å; N319-T323 WeakPolarHBondContact O-CB 3.26Å; N319-T323 PolarHBondContact O-N 2.94Å; N319-T323 PolarHBondContact O-OG1 3.1Å
320	D	40.1	Very low	39.6	Very low	71 Å²	71	80.8 Å²	80.8	38%	0.38	42%	0.419	S	S	.	.	H	α-helix	trans	-58.5	-51.3	176.8	-55.8	-36.3	0	0	0	109.6	S316 I322 T323 E324	S316-D320 VanDerWaalsContact C-OD2 3.31Å; S316-D320 PolarHBondContact O-N 2.88Å; D320-I322 PolarHBondContact O-N 2.71Å; D320-T323 PolarHBondContact O-N 3.3Å; D320-E324 WeakPolarHBondContact O-CB 3.43Å; D320-E324 PolarHBondContact O-N 3.04Å
321	V	44.1	Very low	40.6	Very low	86 Å²	86	80.6 Å²	80.6	52%	0.521	42%	0.415	S	S	.	.	H	α-helix	trans	-60.4	-41.9	177.5	170	0	0	0	0	113	Q317 T325	Q317-V321 VanDerWaalsContact O-CG2 3.31Å; Q317-V321 WeakPolarHBondContact O-CG2 3.25Å; Q317-V321 PolarHBondContact O-N 3.49Å; Q317-V321 VanDerWaalsContact O-N 3.14Å; V321-T325 VanDerWaalsContact O-CB 3.24Å; V321-T325 WeakPolarHBondContact O-CB 3.29Å; V321-T325 PolarHBondContact O-N 3.42Å; V321-T325 PolarHBondContact O-OG1 3.06Å
322	I	41.3	Very low	41.7	Very low	83 Å²	83	77.1 Å²	77.1	43%	0.426	40%	0.4	S	S	.	.	H	α-helix	trans	-64.1	-43.7	177.2	-71.6	164.9	0	0	0	110.8	S318 N319 D320 T325 M326	S318-I322 WeakPolarHBondContact O-CD1 3.32Å; S318-I322 VanDerWaalsContact O-CG1 3.22Å; S318-I322 WeakPolarHBondContact O-CG1 3.44Å; S318-I322 PolarHBondContact O-N 2.96Å; S318-I322 VanDerWaalsContact O-N 3.1Å; N319-I322 PolarHBondContact O-N 3.41Å; D320-I322 PolarHBondContact O-N 2.71Å; I322-T325 PolarHBondContact O-N 3.09Å; I322-M326 PolarHBondContact O-N 3.28Å
323	T	47.9	Very low	42.4	Very low	37 Å²	37	72.6 Å²	72.6	23%	0.227	37%	0.374	C	S	.	.	H	α-helix	trans	-67.3	-45.5	-177.9	-50.5	0	0	0	0	110.9	N319 D320 M326 L327 L433	N319-T323 WeakPolarHBondContact O-CB 3.26Å; N319-T323 PolarHBondContact O-N 2.94Å; N319-T323 PolarHBondContact O-OG1 3.1Å; D320-T323 PolarHBondContact O-N 3.3Å; T323-M326 PolarHBondContact O-N 3.3Å; T323-L327 WeakPolarHBondContact O-CB 3.46Å; T323-L327 PolarHBondContact O-N 3.35Å; T323-L433 HydrophobicContact CG2-CD2 4.21Å; T323-L433 HydrophobicContact CG2-CG 4.09Å
324	E	51.2	Low	42.9	Very low	116 Å²	116	67.7 Å²	67.7	54%	0.542	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-41.7	174.7	-178.1	173.2	-166.9	0	0	112	D320 M326 L327 N328	D320-E324 WeakPolarHBondContact O-CB 3.43Å; D320-E324 PolarHBondContact O-N 3.04Å; E324-M326 PolarHBondContact O-N 3.43Å; E324-L327 PolarHBondContact O-N 3.18Å; E324-N328 WeakPolarHBondContact CG-ND2 3.31Å; E324-N328 WeakPolarHBondContact O-CB 3.46Å; E324-N328 PolarHBondContact O-N 3.26Å; E324-N328 PolarHBondContact O-ND2 3.46Å
325	T	50.2	Low	43.8	Very low	86 Å²	86	69.1 Å²	69.1	53%	0.528	36%	0.359	S	S	.	.	H	α-helix	trans	-62	-44.9	177.4	-59.7	0	0	0	0	111.6	V321 I322 Y329	V321-T325 VanDerWaalsContact O-CB 3.24Å; V321-T325 WeakPolarHBondContact O-CB 3.29Å; V321-T325 PolarHBondContact O-N 3.42Å; V321-T325 PolarHBondContact O-OG1 3.06Å; I322-T325 PolarHBondContact O-N 3.09Å; T325-Y329 WeakPolarHBondContact O-CB 3.49Å; T325-Y329 PolarHBondContact O-N 2.87Å
326	M	46.9	Very low	44.4	Very low	55 Å²	55	68.6 Å²	68.6	27%	0.271	35%	0.354	S	S	.	.	H	α-helix	trans	-65.9	-37.5	175.9	-72.2	-165.7	71.4	0	0	112.3	M153 A156 I322 T323 E324 L330	M153-M326 HydrophobicContact CE-CE 4.23Å; M153-M326 HydrophobicContact CE-SD 3.84Å; A156-M326 HydrophobicContact CB-CE 4.37Å; I322-M326 PolarHBondContact O-N 3.28Å; T323-M326 PolarHBondContact O-N 3.3Å; E324-M326 PolarHBondContact O-N 3.43Å; M326-L330 WeakPolarHBondContact O-CG 3.45Å; M326-L330 PolarHBondContact O-N 3.1Å
327	L	49.3	Very low	44.7	Very low	32 Å²	32	69.7 Å²	69.7	17%	0.168	36%	0.356	C	S	.	.	H	α-helix	trans	-67.3	-44.6	177.5	-174.4	65	0	0	0	112	T323 E324 Y329 L330 K331 I436	T323-L327 WeakPolarHBondContact O-CB 3.46Å; T323-L327 PolarHBondContact O-N 3.35Å; E324-L327 PolarHBondContact O-N 3.18Å; L327-Y329 VanDerWaalsContact C-N 3.34Å; L327-L330 PolarHBondContact O-N 3.12Å; L327-K331 HydrophobicContact CG-CD 4.15Å; L327-K331 WeakPolarHBondContact O-CB 3.46Å; L327-K331 VanDerWaalsContact O-CG 3.31Å; L327-K331 WeakPolarHBondContact O-CG 3.39Å; L327-K331 PolarHBondContact O-N 2.83Å; L327-I436 HydrophobicContact CD1-CG2 3.55Å; L327-I436 HydrophobicContact CD2-CG2 3.68Å; L327-I436 HydrophobicContact CG-CG2 4.22Å
328	N	53.5	Low	44.8	Very low	79 Å²	79	67.9 Å²	67.9	42%	0.422	36%	0.357	S	S	.	.	H	α-helix	trans	-67.9	-34.6	178.5	-72.2	-20.2	0	0	0	111.7	E324 F332	E324-N328 WeakPolarHBondContact CG-ND2 3.31Å; E324-N328 WeakPolarHBondContact O-CB 3.46Å; E324-N328 PolarHBondContact O-N 3.26Å; E324-N328 PolarHBondContact O-ND2 3.46Å; N328-F332 WeakPolarHBondContact O-CB 3.18Å; N328-F332 PolarHBondContact O-N 3.29Å
329	Y	50.6	Low	45.1	Very low	47 Å²	47	70.7 Å²	70.7	18%	0.184	37%	0.372	C	S	.	.	H	α-helix	trans	-57.8	-59.4	167.8	-171.9	-86.7	0	0	0	110.4	V159 I160 T325 L327 K331 F332 Y333 M380	V159-Y329 HydrophobicContact CG1-CE1 4.39Å; I160-Y329 VanDerWaalsContact CG1-OH 3.26Å; I160-Y329 WeakPolarHBondContact CG1-OH 3.47Å; T325-Y329 WeakPolarHBondContact O-CB 3.49Å; T325-Y329 PolarHBondContact O-N 2.87Å; L327-Y329 VanDerWaalsContact C-N 3.34Å; Y329-K331 VanDerWaalsContact C-N 3.31Å; Y329-K331 PolarHBondContact O-N 3.24Å; Y329-F332 WeakPolarHBondContact O-CB 3.41Å; Y329-F332 PolarHBondContact O-N 2.92Å; Y329-F332 VanDerWaalsContact O-N 3.07Å; Y329-Y333 AromaticContact CD1-CD2 3.7Å; Y329-Y333 HydrophobicContact CD1-CD2 3.7Å; Y329-Y333 AromaticContact CD1-CE2 3.91Å; Y329-Y333 HydrophobicContact CD1-CE2 3.91Å; Y329-Y333 HydrophobicContact CD2-CD2 4.22Å; Y329-Y333 AromaticContact CD2-CE2 3.64Å; Y329-Y333 HydrophobicContact CD2-CE2 3.64Å; Y329-Y333 AromaticContact CE1-CD2 3.52Å; Y329-Y333 HydrophobicContact CE1-CD2 3.52Å; Y329-Y333 AromaticContact CE1-CE2 3.55Å; Y329-Y333 HydrophobicContact CE1-CE2 3.55Å; Y329-Y333 HydrophobicContact CE1-CG 4.44Å; Y329-Y333 HydrophobicContact CE2-CD2 4.08Å; Y329-Y333 AromaticContact CE2-CE2 3.27Å; Y329-Y333 HydrophobicContact CE2-CE2 3.27Å; Y329-Y333 AromaticContact CE2-CZ 3.93Å; Y329-Y333 HydrophobicContact CG-CD2 4.03Å; Y329-Y333 AromaticContact CG-CE2 3.94Å; Y329-Y333 HydrophobicContact CG-CE2 3.94Å; Y329-Y333 AromaticContact CZ-CD2 3.71Å; Y329-Y333 AromaticContact CZ-CE2 3.19Å; Y329-Y333 AromaticContact CZ-CZ 3.76Å; Y329-Y333 VanDerWaalsContact O-CD2 3.25Å; Y329-Y333 WeakPolarHBondContact O-CD2 3.46Å; Y329-Y333 PolarHBondContact O-N 3.4Å; Y329-Y333 VanDerWaalsContact O-N 3.11Å; Y329-M380 HydrophobicContact CD2-CE 3.94Å; Y329-M380 HydrophobicContact CE2-CE 3.72Å; Y329-M380 HydrophobicContact CE2-SD 3.91Å
330	L	47.9	Very low	45	Very low	38 Å²	38	75.4 Å²	75.4	20%	0.199	39%	0.392	C	S	.	.	H	α-helix	trans	-57.7	-40.2	-178.4	-70.7	170.1	0	0	0	113.1	M326 L327 Y334	M326-L330 WeakPolarHBondContact O-CG 3.45Å; M326-L330 PolarHBondContact O-N 3.1Å; L327-L330 PolarHBondContact O-N 3.12Å; L330-Y334 PolarHBondContact O-N 3.45Å
331	K	50.8	Low	44.5	Very low	116 Å²	116	80.9 Å²	80.9	50%	0.504	42%	0.415	S	S	.	.	H	α-helix	trans	-61.3	-44.1	174.3	-75.4	172.3	176.9	174	0	112.6	L327 Y329 S335	L327-K331 HydrophobicContact CG-CD 4.15Å; L327-K331 WeakPolarHBondContact O-CB 3.46Å; L327-K331 VanDerWaalsContact O-CG 3.31Å; L327-K331 WeakPolarHBondContact O-CG 3.39Å; L327-K331 PolarHBondContact O-N 2.83Å; Y329-K331 VanDerWaalsContact C-N 3.31Å; Y329-K331 PolarHBondContact O-N 3.24Å; K331-S335 WeakPolarHBondContact O-CB 3.46Å; K331-S335 PolarHBondContact O-N 3.5Å
332	F	51.2	Low	43.8	Very low	96 Å²	96	81.5 Å²	81.5	42%	0.421	42%	0.424	S	S	.	.	H	α-helix	trans	-61.9	-47.7	178.3	174	-93.6	0	0	0	111.9	N328 Y329 S335 K336	N328-F332 WeakPolarHBondContact O-CB 3.18Å; N328-F332 PolarHBondContact O-N 3.29Å; Y329-F332 WeakPolarHBondContact O-CB 3.41Å; Y329-F332 PolarHBondContact O-N 2.92Å; Y329-F332 VanDerWaalsContact O-N 3.07Å; F332-S335 WeakPolarHBondContact O-CB 3.37Å; F332-S335 PolarHBondContact O-N 2.69Å; F332-K336 PolarHBondContact O-N 2.97Å
333	Y	45.2	Very low	43.3	Very low	44 Å²	44	83.1 Å²	83.1	17%	0.173	44%	0.44	C	S	.	.	H	α-helix	trans	-67.7	-39.9	-179.4	-76.2	-81.6	0	0	0	112.5	Y163 Y329 S335 K336 L337	Y163-Y333 HydrophobicContact CD1-CD1 4.24Å; Y163-Y333 AromaticContact CD1-CE1 3.64Å; Y163-Y333 HydrophobicContact CD1-CE1 3.64Å; Y163-Y333 AromaticContact CD2-CD1 3.41Å; Y163-Y333 HydrophobicContact CD2-CD1 3.41Å; Y163-Y333 VanDerWaalsContact CD2-CD1 3.41Å; Y163-Y333 AromaticContact CD2-CE1 3.67Å; Y163-Y333 HydrophobicContact CD2-CE1 3.67Å; Y163-Y333 HydrophobicContact CE1-CD1 4.36Å; Y163-Y333 AromaticContact CE1-CE1 3.64Å; Y163-Y333 HydrophobicContact CE1-CE1 3.64Å; Y163-Y333 AromaticContact CE2-CD1 3.53Å; Y163-Y333 HydrophobicContact CE2-CD1 3.53Å; Y163-Y333 AromaticContact CE2-CE1 3.64Å; Y163-Y333 HydrophobicContact CE2-CE1 3.64Å; Y163-Y333 AromaticContact CG-CD1 3.76Å; Y163-Y333 HydrophobicContact CG-CD1 3.76Å; Y163-Y333 AromaticContact CG-CE1 3.63Å; Y163-Y333 HydrophobicContact CG-CE1 3.63Å; Y163-Y333 AromaticContact CZ-CE1 3.61Å; Y329-Y333 AromaticContact CD1-CD2 3.7Å; Y329-Y333 HydrophobicContact CD1-CD2 3.7Å; Y329-Y333 AromaticContact CD1-CE2 3.91Å; Y329-Y333 HydrophobicContact CD1-CE2 3.91Å; Y329-Y333 HydrophobicContact CD2-CD2 4.22Å; Y329-Y333 AromaticContact CD2-CE2 3.64Å; Y329-Y333 HydrophobicContact CD2-CE2 3.64Å; Y329-Y333 AromaticContact CE1-CD2 3.52Å; Y329-Y333 HydrophobicContact CE1-CD2 3.52Å; Y329-Y333 AromaticContact CE1-CE2 3.55Å; Y329-Y333 HydrophobicContact CE1-CE2 3.55Å; Y329-Y333 HydrophobicContact CE1-CG 4.44Å; Y329-Y333 HydrophobicContact CE2-CD2 4.08Å; Y329-Y333 AromaticContact CE2-CE2 3.27Å; Y329-Y333 HydrophobicContact CE2-CE2 3.27Å; Y329-Y333 AromaticContact CE2-CZ 3.93Å; Y329-Y333 HydrophobicContact CG-CD2 4.03Å; Y329-Y333 AromaticContact CG-CE2 3.94Å; Y329-Y333 HydrophobicContact CG-CE2 3.94Å; Y329-Y333 AromaticContact CZ-CD2 3.71Å; Y329-Y333 AromaticContact CZ-CE2 3.19Å; Y329-Y333 AromaticContact CZ-CZ 3.76Å; Y329-Y333 VanDerWaalsContact O-CD2 3.25Å; Y329-Y333 WeakPolarHBondContact O-CD2 3.46Å; Y329-Y333 PolarHBondContact O-N 3.4Å; Y329-Y333 VanDerWaalsContact O-N 3.11Å; Y333-S335 VanDerWaalsContact C-N 3.31Å; Y333-S335 PolarHBondContact O-N 3.22Å; Y333-K336 PolarHBondContact O-N 3.19Å; Y333-L337 WeakPolarHBondContact O-CG 3.49Å; Y333-L337 PolarHBondContact O-N 3.14Å
334	Y	40.2	Very low	42.5	Very low	49 Å²	49	91.8 Å²	91.8	19%	0.192	47%	0.47	C	S	.	.	H	α-helix	trans	-67.1	-32.8	175.2	-149.1	-79.2	0	0	0	112.2	M127 F131 L330 L337 S338 F444	M127-Y334 HydrophobicContact CB-CE2 4.3Å; M127-Y334 HydrophobicContact CE-CD2 4.19Å; F131-Y334 HydrophobicContact CE2-CD2 4.26Å; F131-Y334 HydrophobicContact CE2-CE2 4.17Å; L330-Y334 PolarHBondContact O-N 3.45Å; Y334-L337 PolarHBondContact O-N 3.44Å; Y334-S338 VanDerWaalsContact O-CB 3.24Å; Y334-S338 WeakPolarHBondContact O-CB 3.23Å; Y334-S338 PolarHBondContact O-N 3.41Å; Y334-F444 HydrophobicContact CD1-CD1 4.28Å; Y334-F444 AromaticContact CD1-CE1 3.43Å; Y334-F444 HydrophobicContact CD1-CE1 3.43Å; Y334-F444 VanDerWaalsContact CD1-CE1 3.43Å; Y334-F444 HydrophobicContact CD1-CE2 4.42Å; Y334-F444 AromaticContact CD1-CZ 3.51Å; Y334-F444 HydrophobicContact CD1-CZ 3.51Å; Y334-F444 HydrophobicContact CD2-CZ 4.5Å; Y334-F444 AromaticContact CE1-CD1 3.74Å; Y334-F444 HydrophobicContact CE1-CD1 3.74Å; Y334-F444 AromaticContact CE1-CE1 3.33Å; Y334-F444 HydrophobicContact CE1-CE1 3.33Å; Y334-F444 AromaticContact CE1-CZ 3.83Å; Y334-F444 HydrophobicContact CE1-CZ 3.83Å; Y334-F444 HydrophobicContact CG-CE1 4.24Å; Y334-F444 HydrophobicContact CG-CE2 4.47Å; Y334-F444 AromaticContact CG-CZ 3.88Å; Y334-F444 HydrophobicContact CG-CZ 3.88Å
335	S	48.7	Very low	41.6	Very low	71 Å²	71	92.8 Å²	92.8	50%	0.497	48%	0.479	S	S	.	.	H	α-helix	trans	-63.3	-45.2	172.7	-172.4	0	0	0	0	112.3	K331 F332 Y333 L337 S338 T339	K331-S335 WeakPolarHBondContact O-CB 3.46Å; K331-S335 PolarHBondContact O-N 3.5Å; F332-S335 WeakPolarHBondContact O-CB 3.37Å; F332-S335 PolarHBondContact O-N 2.69Å; Y333-S335 VanDerWaalsContact C-N 3.31Å; Y333-S335 PolarHBondContact O-N 3.22Å; S335-L337 PolarHBondContact O-N 3.01Å; S335-S338 PolarHBondContact O-N 3.27Å; S335-T339 WeakPolarHBondContact O-CG2 3.19Å; S335-T339 PolarHBondContact O-N 3.18Å; S335-T339 PolarHBondContact O-OG1 3.4Å
336	K	41.2	Very low	40.9	Very low	71 Å²	71	94 Å²	94	31%	0.309	49%	0.488	S	S	.	.	H	α-helix	trans	-64	-36.7	173.3	-77.3	-138.4	-171.2	173.3	0	112.8	F332 Y333 T339 E373	F332-K336 PolarHBondContact O-N 2.97Å; Y333-K336 PolarHBondContact O-N 3.19Å; K336-T339 PolarHBondContact O-OG1 3.35Å; K336-E373 IonicContact NZ-OE1 3.98Å; K336-E373 PolarHBondContact NZ-OE1 3.35Å
337	L	35.7	Very low	40.4	Very low	65 Å²	65	98.7 Å²	98.7	34%	0.34	51%	0.509	S	S	.	.	H	α-helix	trans	-70.5	-32.3	176.3	-71.5	166.7	0	0	0	112.7	L166 Y333 Y334 S335	L166-L337 HydrophobicContact CD1-CD2 3.9Å; Y333-L337 WeakPolarHBondContact O-CG 3.49Å; Y333-L337 PolarHBondContact O-N 3.14Å; Y334-L337 PolarHBondContact O-N 3.44Å; S335-L337 PolarHBondContact O-N 3.01Å
338	S	38.5	Very low	39.9	Very low	83 Å²	83	106.1 Å²	106.1	58%	0.58	54%	0.542	S	S	*	.	H	α-helix	trans	-84.3	-4.7	-178.3	-169.3	0	0	0	0	114.7	Y334 S335	Y334-S338 VanDerWaalsContact O-CB 3.24Å; Y334-S338 WeakPolarHBondContact O-CB 3.23Å; Y334-S338 PolarHBondContact O-N 3.41Å; S335-S338 PolarHBondContact O-N 3.27Å
339	T	37.9	Very low	39	Very low	105 Å²	105	111 Å²	111	64%	0.644	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	3.9	-174.3	40.3	0	0	0	0	114.5	S335 K336 E341	S335-T339 WeakPolarHBondContact O-CG2 3.19Å; S335-T339 PolarHBondContact O-N 3.18Å; S335-T339 PolarHBondContact O-OG1 3.4Å; K336-T339 PolarHBondContact O-OG1 3.35Å; T339-E341 PolarHBondContact O-N 2.88Å
340	H	31.7	Very low	38.3	Very low	154 Å²	154	114.3 Å²	114.3	71%	0.713	59%	0.59	S	S	*	*			trans	-102	49.1	-176.5	-143.6	-67.4	0	0	0	113.7	S342	H340-S342 PolarHBondContact O-N 3.39Å
341	E	30.2	Very low	37.9	Very low	185 Å²	185	121.4 Å²	121.4	86%	0.864	62%	0.622	S	S	*	*			trans	-66.8	124.4	168.7	-69	-166.2	138.6	0	0	110.4	T339	T339-E341 PolarHBondContact O-N 2.88Å
342	S	28.8	Very low	37.7	Very low	99 Å²	99	121.4 Å²	121.4	69%	0.692	63%	0.634	S	S	*	*			trans	-92.2	122.5	-178.6	-172.7	0	0	0	0	110.9	H340 Y344	H340-S342 PolarHBondContact O-N 3.39Å; S342-Y344 PolarHBondContact O-N 2.87Å
343	P	30.9	Very low	37	Very low	117 Å²	117	122.5 Å²	122.5	76%	0.76	65%	0.65	S	S	*	*			trans	-85.6	105.8	-178.6	32.3	-32.8	0	0	0	111.9
344	Y	31.1	Very low	36.9	Very low	219 Å²	219	126 Å²	126	86%	0.859	68%	0.679	S	S	*	*			trans	-146.1	114.5	165.6	-105.5	-82	0	0	0	111.8	S342	S342-Y344 PolarHBondContact O-N 2.87Å
345	D	32.9	Very low	36.9	Very low	138 Å²	138	129.2 Å²	129.2	74%	0.738	71%	0.706	S	S	*	*			trans	-115.1	112.6	169.7	178.5	8.3	0	0	0	109.1	H347	D345-H347 PolarHBondContact O-N 2.95Å
346	P	35.4	Very low	36.3	Very low	111 Å²	111	131.8 Å²	131.8	72%	0.721	72%	0.721	S	S	*	*			trans	-94	53.3	-168	37.7	-36.9	0	0	0	114.6
347	H	37.7	Very low	36.1	Very low	153 Å²	153	137.5 Å²	137.5	71%	0.708	75%	0.748	S	S	*	*			trans	-137.8	86.5	175	-82.2	-54.4	0	0	0	115.1	D345	D345-H347 PolarHBondContact O-N 2.95Å
348	H	36.9	Very low	36	Very low	188 Å²	188	143.1 Å²	143.1	87%	0.87	77%	0.772	S	S	*	*				179.2	171.2	123.1	-98.1	74.7	0	0	0	112.7
349	Q	36.4	Very low	35.8	Very low	181 Å²	181	148.2 Å²	148.2	85%	0.846	79%	0.786	S	S	*	*			trans	-85.8	156.2	-162.9	-70.1	-179.4	-45.5	0	0	115.8
350	P	34.6	Very low	35.6	Very low	117 Å²	117	151.6 Å²	151.6	76%	0.76	80%	0.795	S	S	*	*			trans	-93.4	151.1	-174.7	36.5	-35.8	0	0	0	115
351	H	39.6	Very low	35.6	Very low	188 Å²	188	152.6 Å²	152.6	87%	0.87	80%	0.8	S	S	*	*			trans	-137.5	151.5	159.5	-87.9	-77.7	0	0	0	110.5
352	P	46.5	Very low	35.5	Very low	115 Å²	115	150.4 Å²	150.4	75%	0.747	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-82.7	162.6	-163.6	32.4	-36.8	0	0	0	115.6
353	P	37.1	Very low	35.7	Very low	119 Å²	119	155.2 Å²	155.2	77%	0.773	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-103.8	159.5	-160.2	39.6	-37.1	0	0	0	116.5
354	P	42.1	Very low	35.8	Very low	118 Å²	118	156.8 Å²	156.8	77%	0.766	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-81.6	172.2	155.6	-10.5	29.4	0	0	0	113.3
355	P	40.2	Very low	36	Very low	117 Å²	117	151.2 Å²	151.2	76%	0.76	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-76.6	165.1	-167.7	30.5	-36	0	0	0	116
356	P	37.4	Very low	36.4	Very low	125 Å²	125	146.5 Å²	146.5	81%	0.812	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-88.8	150.7	-159.1	34.3	-37.2	0	0	0	116
357	H	35.6	Very low	36.5	Very low	190 Å²	190	147.7 Å²	147.7	88%	0.88	76%	0.76	S	S	*	*			trans	-125.3	135.9	164.2	-86.2	-86	0	0	0	110.6
358	H	34.3	Very low	36.6	Very low	184 Å²	184	146.3 Å²	146.3	85%	0.852	75%	0.754	S	S	*	*			trans	-75.6	135.6	175.2	-80.9	-69.9	0	0	0	112.4
359	H	35.4	Very low	36.7	Very low	189 Å²	189	141.4 Å²	141.4	88%	0.875	73%	0.731	S	S	*	*			trans	-136.9	137.7	150.5	-108.8	42.9	0	0	0	110
360	H	32.7	Very low	36.9	Very low	177 Å²	177	136.5 Å²	136.5	82%	0.819	71%	0.71	S	S	*	*			trans	-92.9	169.4	169.1	-82	-38.4	0	0	0	110.3
361	Q	32.2	Very low	37.4	Very low	175 Å²	175	137 Å²	137	82%	0.818	70%	0.702	S	S	*	*			trans	110.3	124.1	179.5	-67	177	12.8	0	0	111.7
362	N	28.1	Very low	37.7	Very low	139 Å²	139	132.4 Å²	132.4	74%	0.743	68%	0.683	S	S	*	*			cis	-138.9	119.3	-4.7	-76.1	-51.2	0	0	0	110.2
363	H	33.2	Very low	37.4	Very low	199 Å²	199	130.3 Å²	130.3	92%	0.921	66%	0.664	S	S	*	*			trans	-143.7	85.6	168.4	-123.3	-91.1	0	0	0	108.4
364	H	33.4	Very low	37.9	Very low	150 Å²	150	128.9 Å²	128.9	69%	0.694	65%	0.65	S	S	*	*			trans	-152.9	64.8	-178.6	-161.3	-65.4	0	0	0	111	S366	H364-S366 PolarHBondContact O-N 3.18Å; H364-S366 VanDerWaalsContact O-N 3.16Å
365	L	34.7	Very low	38.2	Very low	103 Å²	103	128.4 Å²	128.4	54%	0.539	64%	0.637	S	S	.	*			trans	-57.2	120.3	160.6	-158.8	76.5	0	0	0	106.5	Q369	L365-Q369 VanDerWaalsContact CD1-OE1 3.26Å; L365-Q369 HydrophobicContact CG-CG 4.48Å
366	S	40.9	Very low	38.3	Very low	38 Å²	38	130.3 Å²	130.3	27%	0.266	63%	0.63	S	S	.	*			trans	-62	142.5	-161.2	-174.5	0	0	0	0	111.9	H364 Q368 Q369 I370	H364-S366 PolarHBondContact O-N 3.18Å; H364-S366 VanDerWaalsContact O-N 3.16Å; S366-Q368 PolarHBondContact O-N 3.12Å; S366-Q368 VanDerWaalsContact O-N 3.13Å; S366-Q368 VanDerWaalsContact OG-CB 3.29Å; S366-Q368 WeakPolarHBondContact OG-CB 3.09Å; S366-Q368 PolarHBondContact OG-N 3.44Å; S366-Q369 WeakPolarHBondContact O-CA 3.38Å; S366-Q369 VanDerWaalsContact O-CB 3.28Å; S366-Q369 WeakPolarHBondContact O-CB 3.36Å; S366-Q369 PolarHBondContact O-N 3.06Å; S366-I370 PolarHBondContact O-N 2.98Å; S366-I370 VanDerWaalsContact O-N 3.13Å
367	Q	38.6	Very low	38.6	Very low	137 Å²	137	127.3 Å²	127.3	64%	0.64	61%	0.607	S	S	*	*	H	α-helix	trans	-46.4	-40.3	164.2	-78.6	-91.9	-4.8	0	0	110.5	Q369 I370 Q371	Q367-Q369 VanDerWaalsContact C-N 3.27Å; Q367-Q369 PolarHBondContact O-N 3.38Å; Q367-I370 PolarHBondContact O-N 2.94Å; Q367-Q371 WeakPolarHBondContact O-CB 3.29Å; Q367-Q371 PolarHBondContact O-N 2.78Å
368	Q	38.2	Very low	39.2	Very low	124 Å²	124	122.6 Å²	122.6	58%	0.579	59%	0.592	S	S	*	*	H	α-helix	trans	-61	-31	176	-159.7	173.4	21	0	0	113.6	S366 Q371 L372	S366-Q368 PolarHBondContact O-N 3.12Å; S366-Q368 VanDerWaalsContact O-N 3.13Å; S366-Q368 VanDerWaalsContact OG-CB 3.29Å; S366-Q368 WeakPolarHBondContact OG-CB 3.09Å; S366-Q368 PolarHBondContact OG-N 3.44Å; Q368-Q371 WeakPolarHBondContact O-CB 3.02Å; Q368-L372 WeakPolarHBondContact O-CG 3.28Å; Q368-L372 PolarHBondContact O-N 3.26Å
369	Q	40	Very low	39.6	Very low	84 Å²	84	118.1 Å²	118.1	39%	0.393	57%	0.571	S	S	.	*	H	α-helix	trans	-79.1	-37.2	177.7	-164.5	165.8	3.2	0	0	111.2	L365 S366 Q367 Q371 L372 E373	L365-Q369 VanDerWaalsContact CD1-OE1 3.26Å; L365-Q369 HydrophobicContact CG-CG 4.48Å; S366-Q369 WeakPolarHBondContact O-CA 3.38Å; S366-Q369 VanDerWaalsContact O-CB 3.28Å; S366-Q369 WeakPolarHBondContact O-CB 3.36Å; S366-Q369 PolarHBondContact O-N 3.06Å; Q367-Q369 VanDerWaalsContact C-N 3.27Å; Q367-Q369 PolarHBondContact O-N 3.38Å; Q369-Q371 VanDerWaalsContact C-N 3.32Å; Q369-L372 PolarHBondContact O-N 3.46Å; Q369-E373 WeakPolarHBondContact O-CG 3.44Å; Q369-E373 PolarHBondContact O-N 3.04Å
370	I	40.3	Very low	39.7	Very low	78 Å²	78	112 Å²	112	40%	0.4	54%	0.544	S	S	.	.	H	α-helix	trans	-66.5	-35.9	169.4	-61.3	173.5	0	0	0	110.7	S366 Q367 N374	S366-I370 PolarHBondContact O-N 2.98Å; S366-I370 VanDerWaalsContact O-N 3.13Å; Q367-I370 PolarHBondContact O-N 2.94Å; I370-N374 WeakPolarHBondContact O-CB 3.36Å; I370-N374 PolarHBondContact O-N 2.82Å; I370-N374 PolarHBondContact O-ND2 2.87Å
371	Q	45.4	Very low	40.2	Very low	127 Å²	127	109 Å²	109	59%	0.593	53%	0.528	S	S	*	.	H	α-helix	trans	-59.2	-50.5	171.9	-144.4	89	13.4	0	0	110.6	Q367 Q368 Q369 N374 E375	Q367-Q371 WeakPolarHBondContact O-CB 3.29Å; Q367-Q371 PolarHBondContact O-N 2.78Å; Q368-Q371 WeakPolarHBondContact O-CB 3.02Å; Q369-Q371 VanDerWaalsContact C-N 3.32Å; Q371-N374 PolarHBondContact O-N 3.3Å; Q371-E375 WeakPolarHBondContact O-CB 3.32Å; Q371-E375 PolarHBondContact O-N 3.46Å
372	L	45.8	Very low	40.9	Very low	92 Å²	92	107.5 Å²	107.5	48%	0.482	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-42.8	177.9	-77.8	164.7	0	0	0	112.7	Q368 Q369 N374 E375 Y376	Q368-L372 WeakPolarHBondContact O-CG 3.28Å; Q368-L372 PolarHBondContact O-N 3.26Å; Q369-L372 PolarHBondContact O-N 3.46Å; L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 3.44Å; L372-E375 PolarHBondContact O-N 3.08Å; L372-Y376 WeakPolarHBondContact O-CB 3.41Å; L372-Y376 PolarHBondContact O-N 2.93Å
373	E	39.5	Very low	41.3	Very low	71 Å²	71	107.7 Å²	107.7	33%	0.332	51%	0.514	S	S	.	.	H	α-helix	trans	-62.7	-40.5	176	-75.4	-178	163	0	0	111.2	K336 Q369 L377	K336-E373 IonicContact NZ-OE1 3.98Å; K336-E373 PolarHBondContact NZ-OE1 3.35Å; Q369-E373 WeakPolarHBondContact O-CG 3.44Å; Q369-E373 PolarHBondContact O-N 3.04Å; E373-L377 VanDerWaalsContact O-CB 3.28Å; E373-L377 WeakPolarHBondContact O-CB 2.79Å; E373-L377 PolarHBondContact O-N 3.5Å
374	N	47.5	Very low	41.6	Very low	90 Å²	90	101.7 Å²	101.7	48%	0.481	49%	0.488	S	S	.	.	H	α-helix	trans	-68.9	-36.4	173.8	-84	-77.2	0	0	0	113.5	I370 Q371 L372 L377 T378	I370-N374 WeakPolarHBondContact O-CB 3.36Å; I370-N374 PolarHBondContact O-N 2.82Å; I370-N374 PolarHBondContact O-ND2 2.87Å; Q371-N374 PolarHBondContact O-N 3.3Å; L372-N374 VanDerWaalsContact C-N 3.34Å; L372-N374 PolarHBondContact O-N 3.44Å; N374-L377 PolarHBondContact O-N 2.67Å; N374-T378 VanDerWaalsContact O-CB 3.31Å; N374-T378 WeakPolarHBondContact O-CB 3.31Å; N374-T378 PolarHBondContact O-N 3.08Å; N374-T378 PolarHBondContact O-OG1 3.36Å
375	E	48.1	Very low	42	Very low	107 Å²	107	101.4 Å²	101.4	50%	0.5	48%	0.484	S	S	.	.	H	α-helix	trans	-68.8	-46.7	177	-169.9	174.8	-178.7	0	0	111	Q371 L372 L377 T378 Q379	Q371-E375 WeakPolarHBondContact O-CB 3.32Å; Q371-E375 PolarHBondContact O-N 3.46Å; L372-E375 PolarHBondContact O-N 3.08Å; E375-L377 VanDerWaalsContact C-N 3.33Å; E375-L377 PolarHBondContact O-N 3.41Å; E375-T378 CarbonylContact O-C 3.6Å; E375-T378 WeakPolarHBondContact O-CA 3.41Å; E375-T378 WeakPolarHBondContact O-CB 3.32Å; E375-T378 PolarHBondContact O-N 2.92Å; E375-Q379 WeakPolarHBondContact O-CG 3.36Å; E375-Q379 PolarHBondContact O-N 2.87Å; E375-Q379 PolarHBondContact OE1-NE2 2.99Å
376	Y	42.3	Very low	42	Very low	157 Å²	157	100.8 Å²	100.8	62%	0.616	48%	0.481	S	S	*	.	H	α-helix	trans	-56.3	-45.8	171.9	-101.9	-89.2	0	0	0	111.7	L372 T378 Q379 M380	L372-Y376 WeakPolarHBondContact O-CB 3.41Å; L372-Y376 PolarHBondContact O-N 2.93Å; Y376-T378 VanDerWaalsContact C-N 3.27Å; Y376-T378 PolarHBondContact O-N 3.37Å; Y376-Q379 PolarHBondContact O-N 3.32Å; Y376-M380 VanDerWaalsContact O-CB 3.27Å; Y376-M380 WeakPolarHBondContact O-CB 3.37Å; Y376-M380 PolarHBondContact O-N 2.83Å
377	L	43.7	Very low	41.6	Very low	63 Å²	63	100.2 Å²	100.2	33%	0.33	48%	0.477	S	S	.	.	H	α-helix	trans	-63.9	-32.8	177	-173.2	60.9	0	0	0	112.1	E373 N374 E375 K381	E373-L377 VanDerWaalsContact O-CB 3.28Å; E373-L377 WeakPolarHBondContact O-CB 2.79Å; E373-L377 PolarHBondContact O-N 3.5Å; N374-L377 PolarHBondContact O-N 2.67Å; E375-L377 VanDerWaalsContact C-N 3.33Å; E375-L377 PolarHBondContact O-N 3.41Å; L377-K381 HydrophobicContact CD1-CD 4.44Å; L377-K381 HydrophobicContact CG-CD 4.11Å; L377-K381 VanDerWaalsContact O-CB 3.28Å; L377-K381 WeakPolarHBondContact O-CB 3.34Å; L377-K381 WeakPolarHBondContact O-CD 3.34Å; L377-K381 WeakPolarHBondContact O-CG 3.38Å; L377-K381 PolarHBondContact O-N 3.43Å
378	T	49.7	Very low	41.3	Very low	90 Å²	90	98.6 Å²	98.6	55%	0.552	47%	0.473	S	S	*	.	H	α-helix	trans	-72.6	-43.4	175.6	-62.4	0	0	0	0	111.9	N374 E375 Y376 M380 K381 K382	N374-T378 VanDerWaalsContact O-CB 3.31Å; N374-T378 WeakPolarHBondContact O-CB 3.31Å; N374-T378 PolarHBondContact O-N 3.08Å; N374-T378 PolarHBondContact O-OG1 3.36Å; E375-T378 CarbonylContact O-C 3.6Å; E375-T378 WeakPolarHBondContact O-CA 3.41Å; E375-T378 WeakPolarHBondContact O-CB 3.32Å; E375-T378 PolarHBondContact O-N 2.92Å; Y376-T378 VanDerWaalsContact C-N 3.27Å; Y376-T378 PolarHBondContact O-N 3.37Å; T378-M380 VanDerWaalsContact C-N 3.33Å; T378-K381 PolarHBondContact O-N 2.8Å; T378-K382 WeakPolarHBondContact O-CB 3.34Å; T378-K382 PolarHBondContact O-N 3.41Å
379	Q	42.6	Very low	41.2	Very low	90 Å²	90	98.1 Å²	98.1	42%	0.421	47%	0.471	S	S	.	.	H	α-helix	trans	-62	-41	172.8	-67.3	-175.9	25.4	0	0	110.9	E375 Y376 K382 F383	E375-Q379 WeakPolarHBondContact O-CG 3.36Å; E375-Q379 PolarHBondContact O-N 2.87Å; E375-Q379 PolarHBondContact OE1-NE2 2.99Å; Y376-Q379 PolarHBondContact O-N 3.32Å; Q379-K382 CarbonylContact O-C 3.58Å; Q379-K382 WeakPolarHBondContact O-CB 3.33Å; Q379-K382 PolarHBondContact O-N 2.73Å; Q379-F383 PolarHBondContact O-N 3.02Å
380	M	37.2	Very low	40.9	Very low	60 Å²	60	99.2 Å²	99.2	30%	0.296	48%	0.476	S	S	.	.	H	α-helix	trans	-67.5	-43.3	176.5	-165.4	168.5	-68.3	0	0	112.2	Y329 Y376 T378 K382 F383 I384	Y329-M380 HydrophobicContact CD2-CE 3.94Å; Y329-M380 HydrophobicContact CE2-CE 3.72Å; Y329-M380 HydrophobicContact CE2-SD 3.91Å; Y376-M380 VanDerWaalsContact O-CB 3.27Å; Y376-M380 WeakPolarHBondContact O-CB 3.37Å; Y376-M380 PolarHBondContact O-N 2.83Å; T378-M380 VanDerWaalsContact C-N 3.33Å; M380-K382 VanDerWaalsContact C-N 3.26Å; M380-K382 PolarHBondContact O-N 2.72Å; M380-F383 PolarHBondContact O-N 3.48Å; M380-I384 HydrophobicContact CG-CD1 4.08Å; M380-I384 WeakPolarHBondContact O-CB 3.26Å; M380-I384 VanDerWaalsContact O-CG1 3.32Å; M380-I384 WeakPolarHBondContact O-CG1 3.33Å; M380-I384 PolarHBondContact O-N 3.16Å
381	K	42.6	Very low	40.3	Very low	114 Å²	114	100.2 Å²	100.2	50%	0.496	48%	0.475	S	S	.	.	H	α-helix	trans	-61.3	-32.6	171.3	-76.7	166.4	179.7	168.9	0	112.1	L377 T378 K385	L377-K381 HydrophobicContact CD1-CD 4.44Å; L377-K381 HydrophobicContact CG-CD 4.11Å; L377-K381 VanDerWaalsContact O-CB 3.28Å; L377-K381 WeakPolarHBondContact O-CB 3.34Å; L377-K381 WeakPolarHBondContact O-CD 3.34Å; L377-K381 WeakPolarHBondContact O-CG 3.38Å; L377-K381 PolarHBondContact O-N 3.43Å; T378-K381 PolarHBondContact O-N 2.8Å; K381-K385 VanDerWaalsContact O-CB 3.22Å; K381-K385 WeakPolarHBondContact O-CB 3.25Å; K381-K385 PolarHBondContact O-N 2.88Å; K381-K385 VanDerWaalsContact O-N 3.15Å
382	K	46.8	Very low	39.6	Very low	144 Å²	144	99 Å²	99	63%	0.626	48%	0.477	S	S	*	.	H	α-helix	trans	-70	-43.1	172.2	-171.6	-176.7	179.6	-172.8	0	111.6	T378 Q379 M380 K385 L386	T378-K382 WeakPolarHBondContact O-CB 3.34Å; T378-K382 PolarHBondContact O-N 3.41Å; Q379-K382 CarbonylContact O-C 3.58Å; Q379-K382 WeakPolarHBondContact O-CB 3.33Å; Q379-K382 PolarHBondContact O-N 2.73Å; M380-K382 VanDerWaalsContact C-N 3.26Å; M380-K382 PolarHBondContact O-N 2.72Å; K382-K385 PolarHBondContact O-N 3Å; K382-L386 HydrophobicContact CG-CD1 4.43Å; K382-L386 WeakPolarHBondContact O-CG 3.46Å; K382-L386 PolarHBondContact O-N 3.09Å
383	F	37.1	Very low	38.9	Very low	143 Å²	143	98.5 Å²	98.5	63%	0.627	48%	0.478	S	S	*	.	H	α-helix	trans	-64.2	-47.8	177.1	-164.8	-93.8	0	0	0	112.1	Q379 M380 K385 L386 S387	Q379-F383 PolarHBondContact O-N 3.02Å; M380-F383 PolarHBondContact O-N 3.48Å; F383-K385 PolarHBondContact O-N 2.75Å; F383-L386 PolarHBondContact O-N 2.79Å; F383-L386 VanDerWaalsContact O-N 3.07Å; F383-S387 PolarHBondContact O-N 2.81Å; F383-S387 PolarHBondContact O-OG 3.47Å
384	I	39.2	Very low	38.5	Very low	74 Å²	74	100 Å²	100	38%	0.379	49%	0.488	S	S	.	.	H	α-helix	trans	-60	-34.7	174.6	-67.5	166.8	0	0	0	111.3	I160 M380 S387 N388	I160-I384 HydrophobicContact CD1-CD1 4.49Å; M380-I384 HydrophobicContact CG-CD1 4.08Å; M380-I384 WeakPolarHBondContact O-CB 3.26Å; M380-I384 VanDerWaalsContact O-CG1 3.32Å; M380-I384 WeakPolarHBondContact O-CG1 3.33Å; M380-I384 PolarHBondContact O-N 3.16Å; I384-S387 PolarHBondContact O-OG 3.37Å; I384-N388 WeakPolarHBondContact O-CB 3.18Å; I384-N388 PolarHBondContact O-N 3.02Å; I384-N388 VanDerWaalsContact O-N 3.14Å; I384-N388 PolarHBondContact O-ND2 2.97Å
385	K	41.2	Very low	37.7	Very low	144 Å²	144	101.4 Å²	101.4	63%	0.626	50%	0.495	S	S	*	.	H	α-helix	trans	-72.8	-30.3	176.2	-171.5	175.4	-175.5	177.8	0	113	K381 K382 F383 Q389	K381-K385 VanDerWaalsContact O-CB 3.22Å; K381-K385 WeakPolarHBondContact O-CB 3.25Å; K381-K385 PolarHBondContact O-N 2.88Å; K381-K385 VanDerWaalsContact O-N 3.15Å; K382-K385 PolarHBondContact O-N 3Å; F383-K385 PolarHBondContact O-N 2.75Å; K385-Q389 WeakPolarHBondContact O-CG 3.3Å; K385-Q389 PolarHBondContact O-N 2.82Å
386	L	35.8	Very low	36.8	Very low	89 Å²	89	100.2 Å²	100.2	47%	0.466	49%	0.488	S	S	.	.	H	α-helix	trans	-75.7	-49.5	174.2	-72.1	165.8	0	0	0	111.1	K382 F383 N388 Q389 E390	K382-L386 HydrophobicContact CG-CD1 4.43Å; K382-L386 WeakPolarHBondContact O-CG 3.46Å; K382-L386 PolarHBondContact O-N 3.09Å; F383-L386 PolarHBondContact O-N 2.79Å; F383-L386 VanDerWaalsContact O-N 3.07Å; L386-N388 VanDerWaalsContact C-N 3.32Å; L386-N388 PolarHBondContact O-N 3.32Å; L386-Q389 WeakPolarHBondContact O-CA 3.33Å; L386-Q389 WeakPolarHBondContact O-CB 3.42Å; L386-Q389 PolarHBondContact O-N 2.88Å; L386-E390 PolarHBondContact O-N 3.12Å
387	S	32.9	Very low	36.1	Very low	27 Å²	27	97.4 Å²	97.4	19%	0.189	48%	0.484	C	S	.	.	H	α-helix	trans	-60.2	-40.7	178.7	66	0	0	0	0	112.3	F383 I384 Q389 E390 Y391	F383-S387 PolarHBondContact O-N 2.81Å; F383-S387 PolarHBondContact O-OG 3.47Å; I384-S387 PolarHBondContact O-OG 3.37Å; S387-Q389 VanDerWaalsContact C-N 3.25Å; S387-Q389 PolarHBondContact O-N 2.95Å; S387-E390 PolarHBondContact O-N 3.03Å; S387-E390 VanDerWaalsContact O-N 3.15Å; S387-Y391 WeakPolarHBondContact O-CD2 3.47Å; S387-Y391 PolarHBondContact O-N 2.66Å
388	N	32.3	Very low	35.4	Very low	103 Å²	103	101 Å²	101	55%	0.551	50%	0.503	S	S	*	.	H	α-helix	trans	-68.4	-18.3	173.5	-81.5	-76.3	0	0	0	114.3	I384 L386	I384-N388 WeakPolarHBondContact O-CB 3.18Å; I384-N388 PolarHBondContact O-N 3.02Å; I384-N388 VanDerWaalsContact O-N 3.14Å; I384-N388 PolarHBondContact O-ND2 2.97Å; L386-N388 VanDerWaalsContact C-N 3.32Å; L386-N388 PolarHBondContact O-N 3.32Å
389	Q	35	Very low	34.5	Very low	114 Å²	114	103.2 Å²	103.2	53%	0.533	51%	0.509	S	S	.	.	H	α-helix	trans	-80.5	-42	167.1	-75.5	179.9	-14	0	0	110.8	K385 L386 S387 Y391 T392	K385-Q389 WeakPolarHBondContact O-CG 3.3Å; K385-Q389 PolarHBondContact O-N 2.82Å; L386-Q389 WeakPolarHBondContact O-CA 3.33Å; L386-Q389 WeakPolarHBondContact O-CB 3.42Å; L386-Q389 PolarHBondContact O-N 2.88Å; S387-Q389 VanDerWaalsContact C-N 3.25Å; S387-Q389 PolarHBondContact O-N 2.95Å; Q389-Y391 PolarHBondContact O-N 3.45Å; Q389-T392 WeakPolarHBondContact O-CB 3.49Å; Q389-T392 PolarHBondContact O-N 2.97Å; Q389-T392 PolarHBondContact O-OG1 3.26Å
390	E	33.8	Very low	33.8	Very low	107 Å²	107	103.9 Å²	103.9	50%	0.5	52%	0.516	S	S	.	.	H	α-helix	trans	-68	-32.6	-179.3	-70.1	-170.7	144.8	0	0	114.1	L386 S387 T392 T393 N394	L386-E390 PolarHBondContact O-N 3.12Å; S387-E390 PolarHBondContact O-N 3.03Å; S387-E390 VanDerWaalsContact O-N 3.15Å; E390-T392 PolarHBondContact O-N 2.9Å; E390-T393 WeakPolarHBondContact CA-OG1 3.38Å; E390-T393 PolarHBondContact O-N 3.23Å; E390-T393 PolarHBondContact O-OG1 2.91Å; E390-N394 WeakPolarHBondContact O-CB 3.34Å; E390-N394 PolarHBondContact O-N 3.18Å
391	Y	29	Very low	33.5	Very low	98 Å²	98	107.6 Å²	107.6	38%	0.384	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-8.5	167.9	-83.8	-63.4	0	0	0	113.6	S387 Q389	S387-Y391 WeakPolarHBondContact O-CD2 3.47Å; S387-Y391 PolarHBondContact O-N 2.66Å; Q389-Y391 PolarHBondContact O-N 3.45Å
392	T	30.3	Very low	33.1	Very low	102 Å²	102	109.3 Å²	109.3	63%	0.626	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-7.3	170.7	73.9	0	0	0	0	114.9	Q389 E390	Q389-T392 WeakPolarHBondContact O-CB 3.49Å; Q389-T392 PolarHBondContact O-N 2.97Å; Q389-T392 PolarHBondContact O-OG1 3.26Å; E390-T392 PolarHBondContact O-N 2.9Å
393	T	31.6	Very low	32.2	Very low	82 Å²	82	109.5 Å²	109.5	50%	0.503	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-113.4	-29.2	179.4	51.3	0	0	0	0	114.4	E390	E390-T393 WeakPolarHBondContact CA-OG1 3.38Å; E390-T393 PolarHBondContact O-N 3.23Å; E390-T393 PolarHBondContact O-OG1 2.91Å
394	N	30.1	Very low	31.8	Very low	103 Å²	103	109.2 Å²	109.2	55%	0.551	57%	0.565	S	S	*	*	S	Bend	trans	-90.4	-9.5	-161.5	-67.4	4.5	0	0	0	115.7	E390 K396	E390-N394 WeakPolarHBondContact O-CB 3.34Å; E390-N394 PolarHBondContact O-N 3.18Å; N394-K396 PolarHBondContact O-N 2.92Å
395	N	30.3	Very low	31.3	Very low	118 Å²	118	114.4 Å²	114.4	63%	0.631	59%	0.587	S	S	*	*	S	Bend	trans	-75.1	23.1	175.6	-117.4	-44.5	0	0	0	113.6
396	K	30.6	Very low	30.6	Very low	82 Å²	82	115.7 Å²	115.7	36%	0.357	60%	0.595	S	S	.	*	S	Bend	trans	-163	38.6	-148.6	-85.7	-156.5	-177.9	-132.7	0	114.4	N394 I933	N394-K396 PolarHBondContact O-N 2.92Å; K396-I933 HydrophobicContact CB-CB 3.79Å; K396-I933 HydrophobicContact CB-CD1 3.84Å; K396-I933 HydrophobicContact CB-CG1 4.25Å; K396-I933 HydrophobicContact CB-CG2 4.43Å; K396-I933 HydrophobicContact CD-CB 4.14Å; K396-I933 HydrophobicContact CD-CD1 4.36Å; K396-I933 VanDerWaalsContact CD-O 3.25Å; K396-I933 WeakPolarHBondContact CD-O 3.39Å; K396-I933 VanDerWaalsContact CE-O 3.23Å; K396-I933 WeakPolarHBondContact CE-O 3.35Å; K396-I933 HydrophobicContact CG-CB 4.1Å; K396-I933 PolarHBondContact NZ-O 3.11Å; K396-I933 WeakPolarHBondContact O-CB 3.35Å; K396-I933 WeakPolarHBondContact O-CD1 3.14Å; K396-I933 WeakPolarHBondContact O-CG1 3.35Å; K396-I933 WeakPolarHBondContact O-CG2 3.27Å
397	L	26.7	Very low	30.1	Very low	99 Å²	99	118.6 Å²	118.6	52%	0.518	61%	0.61	S	S	.	*			trans	-170	161.3	161	-109.9	152.5	0	0	0	110.4	I933 K938	L397-I933 HydrophobicContact CG-CG1 4.47Å; L397-K938 HydrophobicContact CD1-CD 4.48Å
398	L	28.9	Very low	29.7	Very low	138 Å²	138	124.2 Å²	124.2	72%	0.723	64%	0.637	S	S	*	*			trans	69	133.7	-165.5	-71.6	89.6	0	0	0	112.9
399	I	30.9	Very low	29.3	Very low	136 Å²	136	129.7 Å²	129.7	70%	0.697	65%	0.651	S	S	*	*			cis	-130.6	144.5	-4.9	-86.5	130.2	0	0	0	109
400	N	27.2	Very low	28.9	Very low	104 Å²	104	130.9 Å²	130.9	56%	0.556	66%	0.661	S	S	*	*			trans	-109.6	162.8	160.6	-116.5	44.9	0	0	0	107.7	R937	N400-R937 WeakPolarHBondContact OD1-CG 3.17Å
401	N	30.7	Very low	28.6	Very low	139 Å²	139	133.1 Å²	133.1	74%	0.743	68%	0.676	S	S	*	*			trans	101.5	138.1	-173.4	-62.2	20.2	0	0	0	112.2
402	D	34	Very low	28.5	Very low	150 Å²	150	136.8 Å²	136.8	80%	0.802	70%	0.7	S	S	*	*			cis	-119.6	162.2	9.9	-66.9	-66.6	0	0	0	113.8
403	D	29.4	Very low	28.3	Very low	147 Å²	147	138 Å²	138	79%	0.786	70%	0.703	S	S	*	*			trans	-117	138.4	171.3	-91.2	-47.8	0	0	0	110.6
404	N	28.3	Very low	28.3	Very low	138 Å²	138	137.8 Å²	137.8	74%	0.738	70%	0.703	S	S	*	*			trans	67.6	141.9	175.9	-40	-75.6	0	0	0	115.3
405	H	29.3	Very low	28.2	Very low	183 Å²	183	139.4 Å²	139.4	85%	0.847	71%	0.71	S	S	*	*			cis	-142.5	173.7	25.8	-105.2	-78.3	0	0	0	113.2
406	Q	26.1	Very low	28.2	Very low	170 Å²	170	138.6 Å²	138.6	79%	0.794	71%	0.706	S	S	*	*			trans	-82.6	164.1	171.4	-59.1	179.9	7.8	0	0	112.9
407	L	25.2	Very low	28.1	Very low	150 Å²	150	141.8 Å²	141.8	79%	0.785	72%	0.719	S	S	*	*			trans	101.9	131	158.4	-59.3	169.9	0	0	0	119.1
408	L	25	Very low	28.2	Very low	145 Å²	145	144.5 Å²	144.5	76%	0.759	73%	0.727	S	S	*	*			trans	67.9	96.7	149.5	-71.4	163.3	0	0	0	120.8
409	R	23.8	Very low	28.1	Very low	219 Å²	219	139.4 Å²	139.4	83%	0.826	70%	0.703	S	S	*	*				47.6	127.8	127.4	-74.9	-171.7	176	-162.3	-1.3	120.3
410	N	26.7	Very low	28	Very low	139 Å²	139	137.5 Å²	137.5	74%	0.743	69%	0.693	S	S	*	*			trans	69.2	84.7	149.2	-56.7	10.6	0	0	0	116.7
411	D	26.9	Very low	28.1	Very low	153 Å²	153	137.6 Å²	137.6	82%	0.818	69%	0.693	S	S	*	*				-159.2	171	119.7	-103.6	-31.2	0	0	0	111.5	D413	D411-D413 PolarHBondContact O-N 3.35Å
412	I	27.4	Very low	28	Very low	176 Å²	176	137.4 Å²	137.4	90%	0.903	69%	0.687	S	S	*	*			trans	-96	86.6	-168.8	-57.1	174.2	0	0	0	110.6
413	D	25.2	Very low	27.9	Very low	128 Å²	128	136.6 Å²	136.6	68%	0.684	68%	0.677	S	S	*	*			trans	-81.5	154.8	-164.3	-102.6	-36.2	0	0	0	116.8	D411 I415	D411-D413 PolarHBondContact O-N 3.35Å; D413-I415 VanDerWaalsContact C-N 3.26Å; D413-I415 PolarHBondContact O-N 2.84Å
414	P	31.5	Very low	28.1	Very low	76 Å²	76	132.8 Å²	132.8	49%	0.494	66%	0.661	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.9	12.8	-160.1	33.7	-38.5	0	0	0	115.9	K417 K418	P414-K417 PolarHBondContact O-N 3.49Å; P414-K418 PolarHBondContact O-N 2.83Å
415	I	29	Very low	28.4	Very low	137 Å²	137	130.2 Å²	130.2	70%	0.703	65%	0.647	S	S	*	*	H	α-helix	trans	-65.5	-43	-175.5	-65.6	175.2	0	0	0	111.1	D413 K417 K418 S419	D413-I415 VanDerWaalsContact C-N 3.26Å; D413-I415 PolarHBondContact O-N 2.84Å; I415-K417 VanDerWaalsContact C-N 3.31Å; I415-K417 PolarHBondContact O-N 3.27Å; I415-K418 WeakPolarHBondContact O-CB 3.44Å; I415-K418 PolarHBondContact O-N 3.28Å; I415-S419 PolarHBondContact O-N 3.49Å
416	D	28.7	Very low	28.7	Very low	101 Å²	101	125.7 Å²	125.7	54%	0.54	63%	0.628	S	S	.	*	H	α-helix	trans	-71.8	-27.8	-179.5	-149.2	-0.5	0	0	0	112.3	K418 S419 I420	D416-K418 VanDerWaalsContact C-N 3.28Å; D416-K418 PolarHBondContact O-N 2.99Å; D416-S419 CarbonylContact O-C 3.59Å; D416-S419 WeakPolarHBondContact O-CA 3.46Å; D416-S419 WeakPolarHBondContact O-CB 3.45Å; D416-S419 PolarHBondContact O-N 3.48Å; D416-S419 PolarHBondContact O-OG 2.72Å; D416-S419 WeakPolarHBondContact OD1-CB 3.42Å; D416-S419 PolarHBondContact OD1-OG 3.42Å; D416-I420 VanDerWaalsContact O-CG1 3.29Å; D416-I420 WeakPolarHBondContact O-CG1 3.49Å; D416-I420 PolarHBondContact O-N 3.05Å
417	K	28.6	Very low	29.4	Very low	149 Å²	149	120.4 Å²	120.4	65%	0.648	61%	0.61	S	S	*	*	H	α-helix	trans	-60.7	-35.5	171.3	-71.2	-178.5	179.1	173.7	0	112	P414 I415 I420 I421	P414-K417 PolarHBondContact O-N 3.49Å; I415-K417 VanDerWaalsContact C-N 3.31Å; I415-K417 PolarHBondContact O-N 3.27Å; K417-I420 PolarHBondContact O-N 3.17Å; K417-I421 WeakPolarHBondContact O-CB 3.19Å; K417-I421 WeakPolarHBondContact O-CD1 3.46Å; K417-I421 WeakPolarHBondContact O-CG1 3.3Å; K417-I421 PolarHBondContact O-N 3.24Å
418	K	28.7	Very low	30.2	Very low	157 Å²	157	117.4 Å²	117.4	68%	0.683	60%	0.595	S	S	*	*	H	α-helix	trans	-65.1	-42.7	171.6	-72.3	177.8	176.6	172.2	0	111.6	P414 I415 D416 I421 Q422	P414-K418 PolarHBondContact O-N 2.83Å; I415-K418 WeakPolarHBondContact O-CB 3.44Å; I415-K418 PolarHBondContact O-N 3.28Å; D416-K418 VanDerWaalsContact C-N 3.28Å; D416-K418 PolarHBondContact O-N 2.99Å; K418-I421 PolarHBondContact O-N 3.47Å; K418-Q422 PolarHBondContact O-N 3.4Å
419	S	28.3	Very low	30.9	Very low	31 Å²	31	112.1 Å²	112.1	22%	0.217	57%	0.569	C	S	.	*	H	α-helix	trans	-58.7	-45.9	175	130.9	0	0	0	0	111.7	I415 D416 K423	I415-S419 PolarHBondContact O-N 3.49Å; D416-S419 CarbonylContact O-C 3.59Å; D416-S419 WeakPolarHBondContact O-CA 3.46Å; D416-S419 WeakPolarHBondContact O-CB 3.45Å; D416-S419 PolarHBondContact O-N 3.48Å; D416-S419 PolarHBondContact O-OG 2.72Å; D416-S419 WeakPolarHBondContact OD1-CB 3.42Å; D416-S419 PolarHBondContact OD1-OG 3.42Å; S419-K423 WeakPolarHBondContact O-CB 3.32Å; S419-K423 WeakPolarHBondContact O-CD 3.44Å; S419-K423 VanDerWaalsContact O-CG 3.25Å; S419-K423 WeakPolarHBondContact O-CG 3.5Å; S419-K423 PolarHBondContact O-N 3.09Å; S419-K423 PolarHBondContact OG-NZ 2.96Å
420	I	28.5	Very low	31.9	Very low	95 Å²	95	104.4 Å²	104.4	49%	0.487	54%	0.543	S	S	.	.	H	α-helix	trans	-68.8	-43.4	-179.6	-66.9	162.7	0	0	0	111.3	D416 K417 K423 S424	D416-I420 VanDerWaalsContact O-CG1 3.29Å; D416-I420 WeakPolarHBondContact O-CG1 3.49Å; D416-I420 PolarHBondContact O-N 3.05Å; K417-I420 PolarHBondContact O-N 3.17Å; I420-K423 PolarHBondContact O-N 3.38Å; I420-S424 PolarHBondContact O-N 3.3Å; I420-S424 PolarHBondContact O-OG 3.05Å
421	I	28.6	Very low	33	Very low	107 Å²	107	102 Å²	102	55%	0.549	53%	0.53	S	S	.	.	H	α-helix	trans	-66.4	-39.4	177.7	-68.9	164.8	0	0	0	111.4	K417 K418 S424 L425	K417-I421 WeakPolarHBondContact O-CB 3.19Å; K417-I421 WeakPolarHBondContact O-CD1 3.46Å; K417-I421 WeakPolarHBondContact O-CG1 3.3Å; K417-I421 PolarHBondContact O-N 3.24Å; K418-I421 PolarHBondContact O-N 3.47Å; I421-S424 PolarHBondContact O-N 3.1Å; I421-S424 PolarHBondContact O-OG 3.04Å; I421-L425 WeakPolarHBondContact O-CB 3.42Å; I421-L425 PolarHBondContact O-N 3.05Å
422	Q	29.1	Very low	33.8	Very low	134 Å²	134	98.5 Å²	98.5	63%	0.626	51%	0.509	S	S	*	.	H	α-helix	trans	-60.2	-46.7	171.8	-105.7	-178.8	-31	0	0	111.2	K418 S424 L425 I426	K418-Q422 PolarHBondContact O-N 3.4Å; Q422-S424 PolarHBondContact O-N 3.28Å; Q422-L425 PolarHBondContact O-N 3.45Å; Q422-I426 WeakPolarHBondContact O-CB 3.39Å; Q422-I426 WeakPolarHBondContact O-CD1 3.29Å; Q422-I426 WeakPolarHBondContact O-CG1 3.24Å; Q422-I426 PolarHBondContact O-N 3.26Å
423	K	32.6	Very low	34.5	Very low	134 Å²	134	92.4 Å²	92.4	58%	0.583	48%	0.478	S	S	*	.	H	α-helix	trans	-63	-40.3	178.9	-72.6	162.6	-175.2	158.1	0	112.5	S419 I420 S427	S419-K423 WeakPolarHBondContact O-CB 3.32Å; S419-K423 WeakPolarHBondContact O-CD 3.44Å; S419-K423 VanDerWaalsContact O-CG 3.25Å; S419-K423 WeakPolarHBondContact O-CG 3.5Å; S419-K423 PolarHBondContact O-N 3.09Å; S419-K423 PolarHBondContact OG-NZ 2.96Å; I420-K423 PolarHBondContact O-N 3.38Å; K423-S427 VanDerWaalsContact O-CB 3.27Å; K423-S427 WeakPolarHBondContact O-CB 3.44Å; K423-S427 PolarHBondContact O-N 3.14Å
424	S	32.3	Very low	35.7	Very low	66 Å²	66	88.2 Å²	88.2	46%	0.462	45%	0.454	S	S	.	.	H	α-helix	trans	-70.7	-41.2	178.9	67	0	0	0	0	112.4	I420 I421 Q422 S427 N428	I420-S424 PolarHBondContact O-N 3.3Å; I420-S424 PolarHBondContact O-OG 3.05Å; I421-S424 PolarHBondContact O-N 3.1Å; I421-S424 PolarHBondContact O-OG 3.04Å; Q422-S424 PolarHBondContact O-N 3.28Å; S424-S427 PolarHBondContact O-N 3.32Å; S424-N428 WeakPolarHBondContact O-CB 3.39Å; S424-N428 PolarHBondContact O-N 3.31Å
425	L	34.1	Very low	36.5	Very low	85 Å²	85	90 Å²	90	45%	0.445	46%	0.456	S	S	.	.	H	α-helix	trans	-62.6	-46.9	175.7	-137.9	78.8	0	0	0	111.1	I421 Q422 S427 N428 T429	I421-L425 WeakPolarHBondContact O-CB 3.42Å; I421-L425 PolarHBondContact O-N 3.05Å; Q422-L425 PolarHBondContact O-N 3.45Å; L425-S427 VanDerWaalsContact C-N 3.34Å; L425-S427 PolarHBondContact O-N 3.29Å; L425-N428 PolarHBondContact O-N 3.31Å; L425-N428 VanDerWaalsContact O-N 3.13Å; L425-T429 PolarHBondContact O-N 2.76Å; L425-T429 PolarHBondContact O-OG1 2.96Å
426	I	35.9	Very low	37	Very low	87 Å²	87	85.8 Å²	85.8	45%	0.446	44%	0.435	S	S	.	.	H	α-helix	trans	-61.9	-41.3	176.8	-68.8	165.8	0	0	0	111.1	Q422 N428 T429 I430	Q422-I426 WeakPolarHBondContact O-CB 3.39Å; Q422-I426 WeakPolarHBondContact O-CD1 3.29Å; Q422-I426 WeakPolarHBondContact O-CG1 3.24Å; Q422-I426 PolarHBondContact O-N 3.26Å; I426-N428 VanDerWaalsContact C-N 3.32Å; I426-N428 PolarHBondContact O-N 2.82Å; I426-T429 PolarHBondContact O-N 3.48Å; I426-I430 HydrophobicContact CG2-CD1 3.92Å; I426-I430 VanDerWaalsContact O-CG1 3.31Å; I426-I430 WeakPolarHBondContact O-CG1 3.18Å; I426-I430 PolarHBondContact O-N 3.25Å
427	S	42.3	Very low	37.7	Very low	59 Å²	59	82.2 Å²	82.2	41%	0.413	42%	0.415	S	S	.	.	H	α-helix	trans	-62.3	-39.8	174.3	-169.8	0	0	0	0	111.7	K423 S424 L425 I430 N431	K423-S427 VanDerWaalsContact O-CB 3.27Å; K423-S427 WeakPolarHBondContact O-CB 3.44Å; K423-S427 PolarHBondContact O-N 3.14Å; S424-S427 PolarHBondContact O-N 3.32Å; L425-S427 VanDerWaalsContact C-N 3.34Å; L425-S427 PolarHBondContact O-N 3.29Å; S427-I430 PolarHBondContact O-N 3.44Å; S427-N431 WeakPolarHBondContact O-CB 3.35Å; S427-N431 PolarHBondContact O-N 2.86Å; S427-N431 PolarHBondContact O-OD1 3Å
428	N	41.7	Very low	38.8	Very low	88 Å²	88	78.3 Å²	78.3	47%	0.471	40%	0.401	S	S	.	.	H	α-helix	trans	-68.4	-42.6	179.9	-155.3	43.4	0	0	0	111.6	S424 L425 I426 I430 N431 Q432	S424-N428 WeakPolarHBondContact O-CB 3.39Å; S424-N428 PolarHBondContact O-N 3.31Å; L425-N428 PolarHBondContact O-N 3.31Å; L425-N428 VanDerWaalsContact O-N 3.13Å; I426-N428 VanDerWaalsContact C-N 3.32Å; I426-N428 PolarHBondContact O-N 2.82Å; N428-I430 VanDerWaalsContact C-N 3.33Å; N428-I430 PolarHBondContact O-N 3.48Å; N428-N431 PolarHBondContact O-N 3.42Å; N428-Q432 WeakPolarHBondContact O-CB 3.23Å; N428-Q432 WeakPolarHBondContact O-CG 3.47Å; N428-Q432 PolarHBondContact O-N 2.9Å
429	T	39.5	Very low	39.4	Very low	33 Å²	33	75.5 Å²	75.5	20%	0.202	39%	0.391	C	S	.	.	H	α-helix	trans	-62.2	-38.7	174.3	-50.9	0	0	0	0	112	L425 I426 L433	L425-T429 PolarHBondContact O-N 2.76Å; L425-T429 PolarHBondContact O-OG1 2.96Å; I426-T429 PolarHBondContact O-N 3.48Å; T429-L433 WeakPolarHBondContact O-CB 3.47Å; T429-L433 PolarHBondContact O-N 3.44Å
430	I	43.8	Very low	39.9	Very low	57 Å²	57	75.3 Å²	75.3	29%	0.292	39%	0.388	S	S	.	.	H	α-helix	trans	-67	-42.7	175	-69	168.6	0	0	0	110.7	I426 S427 N428 L433 H434	I426-I430 HydrophobicContact CG2-CD1 3.92Å; I426-I430 VanDerWaalsContact O-CG1 3.31Å; I426-I430 WeakPolarHBondContact O-CG1 3.18Å; I426-I430 PolarHBondContact O-N 3.25Å; S427-I430 PolarHBondContact O-N 3.44Å; N428-I430 VanDerWaalsContact C-N 3.33Å; N428-I430 PolarHBondContact O-N 3.48Å; I430-L433 PolarHBondContact O-N 2.85Å; I430-H434 WeakPolarHBondContact CG2-NE2 3.25Å; I430-H434 PolarHBondContact O-CD2 3.24Å; I430-H434 PolarHBondContact O-N 3.11Å
431	N	49.4	Very low	40.6	Very low	88 Å²	88	73.3 Å²	73.3	47%	0.471	38%	0.376	S	S	.	.	H	α-helix	trans	-62.9	-44.5	177.3	-70	-3.5	0	0	0	111.6	S427 N428 L433 H434 E435	S427-N431 WeakPolarHBondContact O-CB 3.35Å; S427-N431 PolarHBondContact O-N 2.86Å; S427-N431 PolarHBondContact O-OD1 3Å; N428-N431 PolarHBondContact O-N 3.42Å; N431-L433 VanDerWaalsContact C-N 3.33Å; N431-L433 PolarHBondContact O-N 2.97Å; N431-H434 PolarHBondContact O-N 2.91Å; N431-H434 VanDerWaalsContact O-N 3.17Å; N431-E435 WeakPolarHBondContact O-CB 3.49Å; N431-E435 PolarHBondContact O-N 2.81Å
432	Q	45.1	Very low	41.1	Very low	80 Å²	80	73.1 Å²	73.1	37%	0.374	38%	0.383	S	S	.	.	H	α-helix	trans	-60.3	-40.9	174	-73.4	170.4	-34.7	0	0	111.8	N428 E435 I436	N428-Q432 WeakPolarHBondContact O-CB 3.23Å; N428-Q432 WeakPolarHBondContact O-CG 3.47Å; N428-Q432 PolarHBondContact O-N 2.9Å; Q432-E435 PolarHBondContact O-N 2.89Å; Q432-I436 VanDerWaalsContact O-CB 3.29Å; Q432-I436 WeakPolarHBondContact O-CB 3.24Å; Q432-I436 WeakPolarHBondContact O-CD1 3.5Å; Q432-I436 WeakPolarHBondContact O-CG1 3.26Å; Q432-I436 PolarHBondContact O-N 3.37Å
433	L	42.6	Very low	41.3	Very low	48 Å²	48	73 Å²	73	25%	0.251	39%	0.385	S	S	.	.	H	α-helix	trans	-64.9	-37.9	174.1	-104.7	161.6	0	0	0	112.7	T323 T429 I430 N431 I437	T323-L433 HydrophobicContact CG2-CD2 4.21Å; T323-L433 HydrophobicContact CG2-CG 4.09Å; T429-L433 WeakPolarHBondContact O-CB 3.47Å; T429-L433 PolarHBondContact O-N 3.44Å; I430-L433 PolarHBondContact O-N 2.85Å; N431-L433 VanDerWaalsContact C-N 3.33Å; N431-L433 PolarHBondContact O-N 2.97Å; L433-I437 WeakPolarHBondContact O-CB 3.3Å; L433-I437 WeakPolarHBondContact O-CD1 3.46Å; L433-I437 WeakPolarHBondContact O-CG1 3.42Å; L433-I437 PolarHBondContact O-N 3.16Å; L433-I437 VanDerWaalsContact O-N 3.08Å
434	H	48.3	Very low	41.3	Very low	40 Å²	40	70.6 Å²	70.6	19%	0.185	38%	0.375	C	S	.	.	H	α-helix	trans	-67.4	-47.2	173.7	-74.6	-152.4	0	0	0	110.7	C138 R139 I430 N431 I436 I437 D438	C138-H434 VanDerWaalsContact C-NE2 3.26Å; C138-H434 PolarHBondContact O-NE2 2.87Å; R139-H434 WeakPolarHBondContact CG-CE1 3.37Å; I430-H434 WeakPolarHBondContact CG2-NE2 3.25Å; I430-H434 PolarHBondContact O-CD2 3.24Å; I430-H434 PolarHBondContact O-N 3.11Å; N431-H434 PolarHBondContact O-N 2.91Å; N431-H434 VanDerWaalsContact O-N 3.17Å; H434-I436 PolarHBondContact O-N 3.04Å; H434-I437 CarbonylContact O-C 3.58Å; H434-I437 PolarHBondContact O-N 2.89Å; H434-I437 VanDerWaalsContact O-N 3.12Å; H434-D438 WeakPolarHBondContact O-CB 3.38Å; H434-D438 PolarHBondContact O-N 2.96Å
435	E	50.2	Low	41.3	Very low	114 Å²	114	71.5 Å²	71.5	53%	0.533	38%	0.381	S	S	.	.	H	α-helix	trans	-60.5	-43.5	179.6	-165.6	-169.2	156.1	0	0	111.5	N431 Q432 I437 D438 Q439	N431-E435 WeakPolarHBondContact O-CB 3.49Å; N431-E435 PolarHBondContact O-N 2.81Å; Q432-E435 PolarHBondContact O-N 2.89Å; E435-I437 PolarHBondContact O-N 2.66Å; E435-D438 PolarHBondContact O-N 3.24Å; E435-Q439 HydrophobicContact CG-CG 4.48Å; E435-Q439 VanDerWaalsContact O-CB 3.28Å; E435-Q439 WeakPolarHBondContact O-CB 3.32Å; E435-Q439 WeakPolarHBondContact O-CG 3.46Å; E435-Q439 PolarHBondContact O-N 2.93Å; E435-Q439 PolarHBondContact OE1-NE2 3.47Å
436	I	39.1	Very low	41.2	Very low	49 Å²	49	77.4 Å²	77.4	25%	0.251	40%	0.403	S	S	.	.	H	α-helix	trans	-65.2	-38.1	175.6	-71.3	167	0	0	0	111.3	L327 Q432 H434 T440	L327-I436 HydrophobicContact CD1-CG2 3.55Å; L327-I436 HydrophobicContact CD2-CG2 3.68Å; L327-I436 HydrophobicContact CG-CG2 4.22Å; Q432-I436 VanDerWaalsContact O-CB 3.29Å; Q432-I436 WeakPolarHBondContact O-CB 3.24Å; Q432-I436 WeakPolarHBondContact O-CD1 3.5Å; Q432-I436 WeakPolarHBondContact O-CG1 3.26Å; Q432-I436 PolarHBondContact O-N 3.37Å; H434-I436 PolarHBondContact O-N 3.04Å; I436-T440 VanDerWaalsContact O-CB 3.26Å; I436-T440 WeakPolarHBondContact O-CB 3.32Å; I436-T440 PolarHBondContact O-N 2.93Å; I436-T440 PolarHBondContact O-OG1 3.01Å
437	I	43.5	Very low	40.7	Very low	25 Å²	25	79.7 Å²	79.7	13%	0.128	42%	0.417	C	S	.	.	H	α-helix	trans	-66	-45.5	174.2	-74.3	166.8	0	0	0	110.7	E135 C138 L433 H434 E435 T440 K441	E135-I437 HydrophobicContact CB-CG2 4.16Å; E135-I437 HydrophobicContact CG-CG2 4.34Å; C138-I437 HydrophobicContact CB-CD1 4.13Å; L433-I437 WeakPolarHBondContact O-CB 3.3Å; L433-I437 WeakPolarHBondContact O-CD1 3.46Å; L433-I437 WeakPolarHBondContact O-CG1 3.42Å; L433-I437 PolarHBondContact O-N 3.16Å; L433-I437 VanDerWaalsContact O-N 3.08Å; H434-I437 CarbonylContact O-C 3.58Å; H434-I437 PolarHBondContact O-N 2.89Å; H434-I437 VanDerWaalsContact O-N 3.12Å; E435-I437 PolarHBondContact O-N 2.66Å; I437-T440 WeakPolarHBondContact O-CB 3.48Å; I437-T440 PolarHBondContact O-N 2.87Å; I437-K441 PolarHBondContact O-N 3.22Å
438	D	51.1	Low	39.9	Very low	67 Å²	67	85.5 Å²	85.5	36%	0.358	44%	0.437	S	S	.	.	H	α-helix	trans	-70.6	-38.6	-178.1	-71.2	-30.1	0	0	0	111.5	R139 H434 E435 T440 K441 C442	R139-D438 IonicContact NH2-OD1 2.85Å; R139-D438 PolarHBondContact NH2-OD1 3.44Å; R139-D438 IonicContact NH2-OD2 3.12Å; R139-D438 PolarHBondContact NH2-OD2 3Å; R139-D438 VanDerWaalsContact NH2-OD2 3.12Å; H434-D438 WeakPolarHBondContact O-CB 3.38Å; H434-D438 PolarHBondContact O-N 2.96Å; E435-D438 PolarHBondContact O-N 3.24Å; D438-T440 VanDerWaalsContact C-N 3.35Å; D438-K441 PolarHBondContact O-N 2.91Å; D438-C442 VanDerWaalsContact O-CB 3.3Å; D438-C442 WeakPolarHBondContact O-CB 3.41Å; D438-C442 PolarHBondContact O-N 3.24Å
439	Q	40.9	Very low	39.1	Very low	99 Å²	99	87.1 Å²	87.1	46%	0.463	45%	0.45	S	S	.	.	H	α-helix	trans	-58.9	-44.6	167.8	-74.6	176.6	17.3	0	0	111.2	E435 C442 I443	E435-Q439 HydrophobicContact CG-CG 4.48Å; E435-Q439 VanDerWaalsContact O-CB 3.28Å; E435-Q439 WeakPolarHBondContact O-CB 3.32Å; E435-Q439 WeakPolarHBondContact O-CG 3.46Å; E435-Q439 PolarHBondContact O-N 2.93Å; E435-Q439 PolarHBondContact OE1-NE2 3.47Å; Q439-C442 PolarHBondContact O-N 3.17Å; Q439-I443 WeakPolarHBondContact O-CG1 3.49Å; Q439-I443 PolarHBondContact O-N 2.85Å; Q439-I443 VanDerWaalsContact O-N 3.16Å
440	T	38.3	Very low	38.3	Very low	26 Å²	26	91.4 Å²	91.4	16%	0.16	47%	0.471	C	S	.	.	H	α-helix	trans	-64.5	-43.5	177.9	-58.9	0	0	0	0	111.1	F131 I436 I437 D438 I443 F444	F131-T440 HydrophobicContact CE1-CG2 4.23Å; I436-T440 VanDerWaalsContact O-CB 3.26Å; I436-T440 WeakPolarHBondContact O-CB 3.32Å; I436-T440 PolarHBondContact O-N 2.93Å; I436-T440 PolarHBondContact O-OG1 3.01Å; I437-T440 WeakPolarHBondContact O-CB 3.48Å; I437-T440 PolarHBondContact O-N 2.87Å; D438-T440 VanDerWaalsContact C-N 3.35Å; T440-I443 PolarHBondContact O-N 3.25Å; T440-F444 HydrophobicContact CG2-CD2 3.89Å; T440-F444 HydrophobicContact CG2-CE2 3.7Å; T440-F444 WeakPolarHBondContact O-CD2 3.4Å; T440-F444 PolarHBondContact O-N 2.73Å
441	K	44.8	Very low	37.5	Very low	53 Å²	53	94.1 Å²	94.1	23%	0.23	49%	0.492	C	S	.	.	H	α-helix	trans	-61.1	-43.9	174	-78.5	-168.9	163.4	-156.2	0	111.8	D132 E135 I437 D438 I443 F444 S445	D132-K441 IonicContact OD1-NZ 2.71Å; D132-K441 PolarHBondContact OD1-NZ 2.9Å; E135-K441 IonicContact OE1-NZ 3.97Å; E135-K441 PolarHBondContact OE1-NZ 2.87Å; E135-K441 IonicContact OE2-NZ 3.2Å; E135-K441 PolarHBondContact OE2-NZ 2.81Å; I437-K441 PolarHBondContact O-N 3.22Å; D438-K441 PolarHBondContact O-N 2.91Å; K441-I443 VanDerWaalsContact C-N 3.26Å; K441-I443 PolarHBondContact O-N 3.46Å; K441-F444 PolarHBondContact O-N 2.99Å; K441-S445 PolarHBondContact O-N 3.43Å; K441-S445 PolarHBondContact O-OG 3.02Å
442	C	39.1	Very low	36.4	Very low	103 Å²	103	95.9 Å²	95.9	70%	0.696	51%	0.506	S	S	*	.	H	α-helix	trans	-60.6	-34.2	179.6	-162.2	0	0	0	0	112.7	D438 Q439 F444	D438-C442 VanDerWaalsContact O-CB 3.3Å; D438-C442 WeakPolarHBondContact O-CB 3.41Å; D438-C442 PolarHBondContact O-N 3.24Å; Q439-C442 PolarHBondContact O-N 3.17Å; C442-F444 VanDerWaalsContact C-N 3.34Å
443	I	33.2	Very low	35.5	Very low	131 Å²	131	97.9 Å²	97.9	67%	0.672	52%	0.524	S	S	*	.	H	α-helix	trans	-70.9	-26.7	174.8	-68.3	164.6	0	0	0	112.6	Q439 T440 K441	Q439-I443 WeakPolarHBondContact O-CG1 3.49Å; Q439-I443 PolarHBondContact O-N 2.85Å; Q439-I443 VanDerWaalsContact O-N 3.16Å; T440-I443 PolarHBondContact O-N 3.25Å; K441-I443 VanDerWaalsContact C-N 3.26Å; K441-I443 PolarHBondContact O-N 3.46Å
444	F	32.5	Very low	34.8	Very low	85 Å²	85	102.8 Å²	102.8	37%	0.373	55%	0.547	S	S	.	.	H	α-helix	trans	-103.3	-6.2	-175.1	-67.2	-53.8	0	0	0	115.5	Y334 T440 K441 C442 K446	Y334-F444 HydrophobicContact CD1-CD1 4.28Å; Y334-F444 AromaticContact CD1-CE1 3.43Å; Y334-F444 HydrophobicContact CD1-CE1 3.43Å; Y334-F444 VanDerWaalsContact CD1-CE1 3.43Å; Y334-F444 HydrophobicContact CD1-CE2 4.42Å; Y334-F444 AromaticContact CD1-CZ 3.51Å; Y334-F444 HydrophobicContact CD1-CZ 3.51Å; Y334-F444 HydrophobicContact CD2-CZ 4.5Å; Y334-F444 AromaticContact CE1-CD1 3.74Å; Y334-F444 HydrophobicContact CE1-CD1 3.74Å; Y334-F444 AromaticContact CE1-CE1 3.33Å; Y334-F444 HydrophobicContact CE1-CE1 3.33Å; Y334-F444 AromaticContact CE1-CZ 3.83Å; Y334-F444 HydrophobicContact CE1-CZ 3.83Å; Y334-F444 HydrophobicContact CG-CE1 4.24Å; Y334-F444 HydrophobicContact CG-CE2 4.47Å; Y334-F444 AromaticContact CG-CZ 3.88Å; Y334-F444 HydrophobicContact CG-CZ 3.88Å; T440-F444 HydrophobicContact CG2-CD2 3.89Å; T440-F444 HydrophobicContact CG2-CE2 3.7Å; T440-F444 WeakPolarHBondContact O-CD2 3.4Å; T440-F444 PolarHBondContact O-N 2.73Å; K441-F444 PolarHBondContact O-N 2.99Å; C442-F444 VanDerWaalsContact C-N 3.34Å; F444-K446 PolarHBondContact O-N 2.91Å; F444-K446 VanDerWaalsContact O-N 3.14Å
445	S	32.6	Very low	33.6	Very low	85 Å²	85	106.9 Å²	106.9	59%	0.594	58%	0.575	S	S	*	*			trans	-65.5	107	167.2	-70.4	0	0	0	0	110.9	K441 D447	K441-S445 PolarHBondContact O-N 3.43Å; K441-S445 PolarHBondContact O-OG 3.02Å; S445-D447 PolarHBondContact O-N 3.16Å
446	K	30.3	Very low	32.5	Very low	208 Å²	208	108 Å²	108	90%	0.904	59%	0.59	S	S	*	*			trans	-74.1	63.7	176.5	-78.6	-170.1	172.2	-175.5	0	113.1	F444	F444-K446 PolarHBondContact O-N 2.91Å; F444-K446 VanDerWaalsContact O-N 3.14Å
447	D	26.2	Very low	31.7	Very low	136 Å²	136	114.9 Å²	114.9	73%	0.727	62%	0.621	S	S	*	*			trans	-117.6	74.6	164.4	-85.6	-50.3	0	0	0	110.1	S445 T449	S445-D447 PolarHBondContact O-N 3.16Å; D447-T449 PolarHBondContact O-N 3.11Å
448	Q	25.5	Very low	31	Very low	180 Å²	180	120.2 Å²	120.2	84%	0.841	66%	0.655	S	S	*	*			trans	-75.5	66.4	170.8	-77.9	-167.3	-9.9	0	0	111.7	I450	Q448-I450 PolarHBondContact O-N 3.3Å
449	T	24.7	Very low	29.7	Very low	122 Å²	122	121.8 Å²	121.8	75%	0.748	67%	0.671	S	S	*	*			trans	-88.2	90.6	160.6	55.9	0	0	0	0	109	D447 P451	D447-T449 PolarHBondContact O-N 3.11Å; T449-P451 VanDerWaalsContact O-CD 3.26Å; T449-P451 WeakPolarHBondContact O-CD 3.3Å
450	I	23.9	Very low	29.1	Very low	124 Å²	124	125.9 Å²	125.9	64%	0.636	69%	0.69	S	S	*	*			trans	-87.8	113	176.5	-52.5	174.2	0	0	0	109.6	Q448 V452	Q448-I450 PolarHBondContact O-N 3.3Å; I450-V452 HydrophobicContact CG2-CG2 3.7Å; I450-V452 PolarHBondContact O-N 3.38Å
451	P	27.1	Very low	28.5	Very low	114 Å²	114	132.4 Å²	132.4	74%	0.74	72%	0.724	S	S	*	*			trans	-86.6	93.7	169.2	33.6	-30.1	0	0	0	109.9	T449 T453	T449-P451 VanDerWaalsContact O-CD 3.26Å; T449-P451 WeakPolarHBondContact O-CD 3.3Å; P451-T453 PolarHBondContact O-N 3.25Å
452	V	24.5	Very low	27.5	Very low	125 Å²	125	137.7 Å²	137.7	76%	0.758	75%	0.752	S	S	*	*			trans	-77.2	88.8	174.5	-176.5	0	0	0	0	110.1	I450	I450-V452 HydrophobicContact CG2-CG2 3.7Å; I450-V452 PolarHBondContact O-N 3.38Å
453	T	28.1	Very low	27	Very low	122 Å²	122	139.9 Å²	139.9	75%	0.748	76%	0.755	S	S	*	*			trans	-135.6	111.5	172	-51.4	0	0	0	0	112.8	P451	P451-T453 PolarHBondContact O-N 3.25Å
454	M	26.1	Very low	26.7	Very low	151 Å²	151	138 Å²	138	74%	0.744	75%	0.753	S	S	*	*			trans	8.1	125.5	155.9	-59.3	-65.6	93.8	0	0	120.6
455	T	23	Very low	26.6	Very low	126 Å²	126	140.4 Å²	140.4	77%	0.773	77%	0.77	S	S	*	*			trans	-17.2	129.8	143.5	50.1	0	0	0	0	117.7
456	T	28.5	Very low	26.5	Very low	138 Å²	138	142 Å²	142	85%	0.847	77%	0.772	S	S	*	*				-160	148.1	116.7	20.2	0	0	0	0	110.3
457	Q	22.7	Very low	26.4	Very low	193 Å²	193	138.9 Å²	138.9	90%	0.902	76%	0.764	S	S	*	*			trans	-79.3	129.7	166.8	-66	167.8	-75.1	0	0	109.9
458	T	27.7	Very low	26.5	Very low	136 Å²	136	137.2 Å²	137.2	83%	0.834	76%	0.763	S	S	*	*			trans	-152.9	136.8	147.2	16.8	0	0	0	0	109.3
459	S	24.1	Very low	26.8	Very low	100 Å²	100	135.3 Å²	135.3	70%	0.699	76%	0.758	S	S	*	*			trans	-70.4	147	163.4	50.4	0	0	0	0	110.6
460	E	27.7	Very low	27	Very low	186 Å²	186	137 Å²	137	87%	0.869	76%	0.762	S	S	*	*				-174.4	136.9	119.1	-101.2	163.7	-161.2	0	0	111.8
461	N	25.3	Very low	27.3	Very low	162 Å²	162	134.6 Å²	134.6	87%	0.866	77%	0.768	S	S	*	*			trans	-76.7	141.4	168.3	-65.7	-42.8	0	0	0	109.2
462	M	25	Very low	27.4	Very low	165 Å²	165	134.7 Å²	134.7	81%	0.813	77%	0.771	S	S	*	*			trans	-160.1	129.2	152.7	-92.6	-119.8	170.3	0	0	113.3
463	I	27.6	Very low	27.7	Very low	148 Å²	148	135.4 Å²	135.4	76%	0.759	77%	0.77	S	S	*	*			trans	71	130.7	150.6	-57.2	166.1	0	0	0	114.4
464	S	27.8	Very low	27.7	Very low	92 Å²	92	138.1 Å²	138.1	64%	0.643	77%	0.771	S	S	*	*			cis	-153.7	159.2	15.9	20.3	0	0	0	0	112.6
465	D	30.2	Very low	27.9	Very low	136 Å²	136	136.2 Å²	136.2	73%	0.727	76%	0.764	S	S	*	*			trans	67.9	136.6	145.1	-67.1	17.3	0	0	0	120.6
466	N	30.3	Very low	28.3	Very low	119 Å²	119	138 Å²	138	64%	0.636	76%	0.761	S	S	*	*			cis	-160.1	151.3	-4.7	-123.4	-36.1	0	0	0	114.8
467	I	29.3	Very low	28.4	Very low	141 Å²	141	136.5 Å²	136.5	72%	0.723	75%	0.748	S	S	*	*			trans	73.8	108.2	151.4	-62.9	162.5	0	0	0	120.6
468	S	28.2	Very low	28.9	Very low	102 Å²	102	134 Å²	134	71%	0.713	74%	0.74	S	S	*	*			trans	69.2	141.1	141.7	-66.1	0	0	0	0	121.7
469	L	30.9	Very low	29.1	Very low	139 Å²	139	130.5 Å²	130.5	73%	0.728	73%	0.732	S	S	*	*			cis	-157.7	126.3	3.4	-116.2	164.2	0	0	0	113
470	N	28.5	Very low	29.7	Very low	158 Å²	158	132.8 Å²	132.8	85%	0.845	74%	0.736	S	S	*	*			trans	53.7	127.7	152.6	-66.2	-6.1	0	0	0	124.5
471	G	30.1	Very low	29.9	Very low	74 Å²	74	129.8 Å²	129.8	76%	0.763	73%	0.726	S	S	*	*			trans	135.4	64.3	152.6	0	0	0	0	0	117.4
472	S	30.3	Very low	30.3	Very low	115 Å²	115	130.1 Å²	130.1	80%	0.804	72%	0.722	S	S	*	*				61.8	127.1	83.3	-125.1	0	0	0	0	113.8
473	I	29.7	Very low	30.7	Very low	141 Å²	141	126.3 Å²	126.3	72%	0.723	71%	0.712	S	S	*	*			cis	-159.2	133.8	31.6	-75.8	-178.8	0	0	0	112.9
474	F	28.1	Very low	30.7	Very low	179 Å²	179	127 Å²	127	79%	0.785	72%	0.716	S	S	*	*			trans	43.5	157.4	140.3	-71.2	-140.9	0	0	0	122.3
475	N	30.9	Very low	30.8	Very low	110 Å²	110	126.6 Å²	126.6	59%	0.588	71%	0.714	S	S	*	*			cis	-168.7	149.8	-5	-119.4	5	0	0	0	112.9
476	K	31.3	Very low	30.7	Very low	163 Å²	163	124.6 Å²	124.6	71%	0.709	71%	0.707	S	S	*	*			trans	55.5	161.9	135.4	-65	-161.7	168.8	-159.6	0	122.2
477	N	30.4	Very low	30.7	Very low	107 Å²	107	128.5 Å²	128.5	57%	0.572	71%	0.714	S	S	*	*			cis	-173.4	175.9	-13.3	-101.7	26.2	0	0	0	107.1
478	D	33.3	Very low	30.6	Very low	140 Å²	140	128.6 Å²	128.6	75%	0.749	72%	0.715	S	S	*	*			cis	-161.3	158	-4.3	-97.2	-30.2	0	0	0	109.1
479	G	32.6	Very low	30.5	Very low	63 Å²	63	128.2 Å²	128.2	65%	0.649	71%	0.713	S	S	*	*			trans	75.4	169.7	161.8	0	0	0	0	0	118.5
480	D	36.4	Very low	30.3	Very low	149 Å²	149	126.7 Å²	126.7	80%	0.797	71%	0.714	S	S	*	*			cis	-179.2	157.5	-14.7	-100.6	-38.1	0	0	0	108.7
481	N	31.8	Very low	30.3	Very low	122 Å²	122	124.3 Å²	124.3	65%	0.652	71%	0.709	S	S	*	*			cis	-169.3	175.9	-24.2	-148	-56.7	0	0	0	110
482	Q	34.4	Very low	30.2	Very low	169 Å²	169	125.7 Å²	125.7	79%	0.79	71%	0.707	S	S	*	*			trans	67.3	156.4	159.2	-68.1	167.4	44	0	0	120
483	S	31.9	Very low	30.2	Very low	85 Å²	85	125.3 Å²	125.3	59%	0.594	71%	0.705	S	S	*	*			cis	-175.5	151.3	-25.2	59.6	0	0	0	0	112.4
484	L	29	Very low	30.2	Very low	162 Å²	162	124.3 Å²	124.3	85%	0.848	70%	0.704	S	S	*	*			trans	43.7	154.5	137.4	-61	169.1	0	0	0	122.7
485	S	29.6	Very low	30.4	Very low	85 Å²	85	121.3 Å²	121.3	59%	0.594	71%	0.706	S	S	*	*			cis	-178.3	177.9	-26.2	57.1	0	0	0	0	111.5
486	T	28.6	Very low	30.5	Very low	94 Å²	94	121 Å²	121	58%	0.577	72%	0.718	S	S	*	*			trans	79.7	142.8	142.9	32.9	0	0	0	0	124.3
487	Y	30.3	Very low	30.6	Very low	201 Å²	201	116.5 Å²	116.5	79%	0.788	72%	0.718	S	S	*	*			trans	70.2	151.9	153.5	-55.4	-39.7	0	0	0	119.9
488	L	26.7	Very low	30.9	Very low	142 Å²	142	116.3 Å²	116.3	74%	0.743	73%	0.732	S	S	*	*			cis	-173	147.9	-39.2	-116.2	179.8	0	0	0	107.8
489	S	25.6	Very low	31.1	Very low	95 Å²	95	115.1 Å²	115.1	66%	0.664	74%	0.735	S	S	*	*			trans	66.2	142.4	150.3	-60	0	0	0	0	123.3
490	S	27.2	Very low	31.1	Very low	107 Å²	107	116.5 Å²	116.5	75%	0.748	74%	0.74	S	S	*	*			trans	81.5	100.3	140.7	-65.1	0	0	0	0	122.9
491	S	27.4	Very low	30.8	Very low	108 Å²	108	113.9 Å²	113.9	76%	0.755	74%	0.739	S	S	*	*				90.7	144.8	116.8	-58.3	0	0	0	0	122.6
492	S	29.1	Very low	30.7	Very low	103 Å²	103	113.3 Å²	113.3	72%	0.72	75%	0.751	S	S	*	*			trans	70.8	107.6	152.9	55.3	0	0	0	0	122
493	S	29.3	Very low	30.5	Very low	107 Å²	107	109.6 Å²	109.6	75%	0.748	75%	0.749	S	S	*	*				68	165.5	127.3	74	0	0	0	0	119.6
494	V	31.2	Very low	30.4	Very low	119 Å²	119	110.2 Å²	110.2	72%	0.721	76%	0.76	S	S	*	*			cis	-146.2	155.3	3	-149.7	0	0	0	0	109.8
495	S	31.9	Very low	30.3	Very low	116 Å²	116	107.3 Å²	107.3	81%	0.811	76%	0.759	S	S	*	*			trans	62.2	160.7	153.3	64.8	0	0	0	0	119
496	A	33.2	Very low	30.2	Very low	103 Å²	103	107.9 Å²	107.9	85%	0.851	77%	0.769	S	S	*	*			cis	-165	161.5	-25.5	0	0	0	0	0	107.3
497	G	32.6	Very low	30.1	Very low	69 Å²	69	108.2 Å²	108.2	71%	0.711	78%	0.781	S	S	*	*			cis	168.6	-176.4	-3.3	0	0	0	0	0	111.7
498	A	36.9	Very low	30	Very low	104 Å²	104	102.9 Å²	102.9	86%	0.86	78%	0.779	S	S	*	*			trans	67.4	151.8	171.7	0	0	0	0	0	117.9
499	S	37.8	Very low	30	Very low	115 Å²	115	102.7 Å²	102.7	80%	0.804	78%	0.783	S	S	*	*			cis	177.1	156.1	-22.5	54.3	0	0	0	0	108
500	A	32.2	Very low	30	Very low	91 Å²	91	102.2 Å²	102.2	75%	0.752	79%	0.785	S	S	*	*			cis	-166.4	150	-19.5	0	0	0	0	0	105.3
501	A	30	Very low	30	Very low	95 Å²	95	101.3 Å²	101.3	79%	0.785	78%	0.784	S	S	*	*			cis	93.9	125.9	26.1	0	0	0	0	0	115.6
502	A	30.2	Very low	30	Very low	109 Å²	109	102 Å²	102	90%	0.901	79%	0.789	S	S	*	*			trans	66.9	160.7	173.6	0	0	0	0	0	116.8
503	A	30.5	Very low	30	Very low	91 Å²	91	101 Å²	101	75%	0.752	79%	0.787	S	S	*	*			cis	-146.3	141.3	-1.4	0	0	0	0	0	107.6
504	A	28.2	Very low	29.9	Very low	99 Å²	99	101.8 Å²	101.8	82%	0.818	79%	0.787	S	S	*	*				85.1	142.7	58.5	0	0	0	0	0	116.2
505	A	27.6	Very low	29.7	Very low	101 Å²	101	104.1 Å²	104.1	84%	0.835	79%	0.794	S	S	*	*			trans	89.7	135.7	162	0	0	0	0	0	121.8
506	A	27.7	Very low	29.6	Very low	97 Å²	97	101.7 Å²	101.7	80%	0.802	79%	0.787	S	S	*	*			trans	46.6	118.1	156.7	0	0	0	0	0	120.1
507	A	27.3	Very low	29.6	Very low	100 Å²	100	104.3 Å²	104.3	83%	0.826	79%	0.787	S	S	*	*			cis	93.1	156.2	40.3	0	0	0	0	0	115.1
508	A	27.4	Very low	29.3	Very low	90 Å²	90	106 Å²	106	74%	0.744	79%	0.787	S	S	*	*			trans	83.7	110	169.7	0	0	0	0	0	120.1
509	V	26.3	Very low	29	Very low	137 Å²	137	106.7 Å²	106.7	83%	0.83	79%	0.786	S	S	*	*				85.3	115.1	124.9	174.6	0	0	0	0	120.5
510	A	26.1	Very low	28.5	Very low	85 Å²	85	106.3 Å²	106.3	70%	0.702	78%	0.783	S	S	*	*			trans	63.8	103.7	142.5	0	0	0	0	0	121.8
511	A	26.9	Very low	28.4	Very low	89 Å²	89	109.9 Å²	109.9	74%	0.736	79%	0.786	S	S	*	*				72.2	158.9	113.5	0	0	0	0	0	120.5
512	S	28.1	Very low	28.2	Very low	123 Å²	123	112.3 Å²	112.3	86%	0.86	78%	0.781	S	S	*	*			trans	71.1	142.3	176	-58.8	0	0	0	0	115.9
513	A	28.2	Very low	28.1	Very low	82 Å²	82	117.6 Å²	117.6	68%	0.678	78%	0.78	S	S	*	*			cis	-167.4	159.9	-15	0	0	0	0	0	111.1
514	V	27.5	Very low	27.7	Very low	122 Å²	122	120.9 Å²	120.9	74%	0.739	78%	0.779	S	S	*	*			trans	62.5	105.3	135.4	167.3	0	0	0	0	119.7
515	L	27.8	Very low	27.9	Very low	168 Å²	168	124.4 Å²	124.4	88%	0.88	78%	0.779	S	S	*	*			trans	71.2	146.8	135.7	-59.9	178.7	0	0	0	122.9
516	G	29.5	Very low	27.9	Very low	65 Å²	65	123.1 Å²	123.1	67%	0.67	76%	0.763	S	S	*	*			trans	98.2	140	162.2	0	0	0	0	0	114.9
517	L	32.4	Very low	27.8	Very low	159 Å²	159	125.2 Å²	125.2	83%	0.832	76%	0.761	S	S	*	*			cis	-146.4	126.3	-7.7	-67.2	167.4	0	0	0	105.7
518	S	26.4	Very low	27.9	Very low	103 Å²	103	129.2 Å²	129.2	72%	0.72	76%	0.763	S	S	*	*				57.9	81.2	68.2	76.8	0	0	0	0	115.8
519	S	31.5	Very low	28	Very low	120 Å²	120	128.1 Å²	128.1	84%	0.839	75%	0.753	S	S	*	*			trans	-164.6	112.1	157.9	-79.5	0	0	0	0	106.5
520	S	27.2	Very low	28	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	75%	0.751	S	S	*	*			cis	78.3	108.4	27.2	-151.5	0	0	0	0	115.3
521	M	30.3	Very low	28.1	Very low	166 Å²	166	129.5 Å²	129.5	82%	0.818	75%	0.748	S	S	*	*			trans	168.4	90.8	155	-92.5	-164.7	83.6	0	0	104.9
522	E	25.6	Very low	28.1	Very low	147 Å²	147	131.5 Å²	131.5	69%	0.687	75%	0.752	S	S	*	*				54.5	111.9	75.9	-63.2	-161.5	121.2	0	0	114.6
523	Y	27.4	Very low	28.1	Very low	220 Å²	220	131.7 Å²	131.7	86%	0.863	75%	0.748	S	S	*	*			trans	-141.6	103	136	-125.4	-81	0	0	0	108.5
524	Q	23.1	Very low	28	Very low	159 Å²	159	135 Å²	135	74%	0.743	75%	0.754	S	S	*	*			trans	-91.3	142.3	168.3	-74.7	-162.7	-1.7	0	0	110.2
525	H	31	Very low	28	Very low	174 Å²	174	136.4 Å²	136.4	81%	0.806	76%	0.757	S	S	*	*			trans	-160.7	130.2	142.1	-101.9	-75.1	0	0	0	106.4
526	S	27.6	Very low	27.8	Very low	73 Å²	73	132.7 Å²	132.7	51%	0.51	75%	0.746	S	S	.	*			cis	167.7	140.6	-13	42.1	0	0	0	0	103.8
527	N	26.9	Very low	27.6	Very low	142 Å²	142	135 Å²	135	76%	0.759	75%	0.752	S	S	*	*			trans	37.4	121.2	137.2	-57.6	-17.8	0	0	0	117.5
528	Q	27.9	Very low	27.4	Very low	183 Å²	183	131.6 Å²	131.6	86%	0.855	74%	0.741	S	S	*	*				175.7	165.8	50.5	-115.1	159.7	1.8	0	0	107.2
529	A	29.6	Very low	27.2	Very low	67 Å²	67	136.2 Å²	136.2	55%	0.554	75%	0.749	S	S	*	*			cis	-158.5	164.2	-6	0	0	0	0	0	109.2
530	N	27.7	Very low	26.9	Very low	147 Å²	147	136 Å²	136	79%	0.786	74%	0.742	S	S	*	*			trans	59.8	141.5	141.4	-63.9	0	0	0	0	120.3
531	T	27.2	Very low	26.8	Very low	104 Å²	104	135.4 Å²	135.4	64%	0.638	74%	0.737	S	S	*	*			cis	-166	152.2	-5.4	12.6	0	0	0	0	108.5
532	T	27.5	Very low	26.6	Very low	131 Å²	131	134.6 Å²	134.6	80%	0.804	73%	0.73	S	S	*	*			trans	60	140.9	155.3	54.3	0	0	0	0	118
533	T	28.2	Very low	26.5	Very low	128 Å²	128	135.7 Å²	135.7	79%	0.785	74%	0.74	S	S	*	*			cis	-133.6	151.9	19.7	43.3	0	0	0	0	112.9
534	N	25.9	Very low	26.5	Very low	152 Å²	152	131.8 Å²	131.8	81%	0.813	73%	0.73	S	S	*	*			trans	-83.8	146.3	154.9	-71	-34.9	0	0	0	109.2
535	N	26.6	Very low	26.7	Very low	150 Å²	150	133.2 Å²	133.2	80%	0.802	73%	0.734	S	S	*	*			trans	178.3	115.9	149.6	-90.3	-13.3	0	0	0	106.2
536	S	25.1	Very low	26.4	Very low	91 Å²	91	132.7 Å²	132.7	64%	0.636	74%	0.736	S	S	*	*				72.6	145.9	65.6	80.2	0	0	0	0	113.9
537	S	25.7	Very low	26.3	Very low	114 Å²	114	139.2 Å²	139.2	80%	0.797	76%	0.755	S	S	*	*			trans	76.2	153	175.6	92.6	0	0	0	0	115.2
538	S	26.2	Very low	26.3	Very low	86 Å²	86	136.5 Å²	136.5	60%	0.601	75%	0.747	S	S	*	*			cis	-162.2	155.3	-22.7	43.5	0	0	0	0	112.2
539	F	22.3	Very low	26.4	Very low	201 Å²	201	134.9 Å²	134.9	88%	0.882	74%	0.743	S	S	*	*	S	Bend	trans	-77.3	122.9	145.7	173.8	-91.5	0	0	0	107.4
540	V	25.7	Very low	26.1	Very low	115 Å²	115	135.9 Å²	135.9	70%	0.697	75%	0.746	S	S	*	*	S	Bend	trans	68.3	93.6	176.9	-176	0	0	0	0	116.9
541	S	24.8	Very low	26.1	Very low	93 Å²	93	137.1 Å²	137.1	65%	0.65	75%	0.747	S	S	*	*			trans	-161.8	164.6	130.2	-126.9	0	0	0	0	107.1
542	F	26	Very low	26.3	Very low	149 Å²	149	137.2 Å²	137.2	65%	0.654	75%	0.748	S	S	*	*			cis	-150.9	118.1	33.1	-172.7	-125.4	0	0	0	110.8	E544	F542-E544 HydrophobicContact CD1-CB 3.8Å; F542-E544 WeakPolarHBondContact CD1-O 3.27Å; F542-E544 HydrophobicContact CD2-CB 4.39Å; F542-E544 HydrophobicContact CE1-CB 3.3Å; F542-E544 VanDerWaalsContact CE1-O 3.23Å; F542-E544 WeakPolarHBondContact CE1-O 3.26Å; F542-E544 HydrophobicContact CE2-CB 3.94Å; F542-E544 HydrophobicContact CG-CB 4.33Å; F542-E544 HydrophobicContact CZ-CB 3.37Å; F542-E544 HydrophobicContact CZ-CG 4.36Å; F542-E544 VanDerWaalsContact CZ-OE2 3.24Å; F542-E544 WeakPolarHBondContact CZ-OE2 3.45Å; F542-E544 PolarHBondContact O-N 3.15Å; F542-E544 VanDerWaalsContact O-N 3.14Å
543	N	25.1	Very low	26.2	Very low	170 Å²	170	137 Å²	137	91%	0.909	74%	0.741	S	S	*	*			trans	-86.4	63.6	175	-149.5	16.9	0	0	0	109.2
544	E	26	Very low	26.1	Very low	138 Å²	138	137 Å²	137	65%	0.645	74%	0.737	S	S	*	*			trans	-159.6	84.4	177.4	-119.5	172.8	-151.2	0	0	113.4	F542	F542-E544 HydrophobicContact CD1-CB 3.8Å; F542-E544 WeakPolarHBondContact CD1-O 3.27Å; F542-E544 HydrophobicContact CD2-CB 4.39Å; F542-E544 HydrophobicContact CE1-CB 3.3Å; F542-E544 VanDerWaalsContact CE1-O 3.23Å; F542-E544 WeakPolarHBondContact CE1-O 3.26Å; F542-E544 HydrophobicContact CE2-CB 3.94Å; F542-E544 HydrophobicContact CG-CB 4.33Å; F542-E544 HydrophobicContact CZ-CB 3.37Å; F542-E544 HydrophobicContact CZ-CG 4.36Å; F542-E544 VanDerWaalsContact CZ-OE2 3.24Å; F542-E544 WeakPolarHBondContact CZ-OE2 3.45Å; F542-E544 PolarHBondContact O-N 3.15Å; F542-E544 VanDerWaalsContact O-N 3.14Å
545	K	27.2	Very low	26.2	Very low	190 Å²	190	135.9 Å²	135.9	83%	0.826	73%	0.73	S	S	*	*			trans	-148.1	45.7	140.7	-144.1	173.3	-174.6	178.7	0	113.9
546	L	25.1	Very low	26.2	Very low	163 Å²	163	134.4 Å²	134.4	85%	0.853	72%	0.719	S	S	*	*			trans	-73.1	156.7	153.5	-72	170.1	0	0	0	109.4
547	K	26.1	Very low	26.3	Very low	210 Å²	210	140.3 Å²	140.3	91%	0.913	73%	0.729	S	S	*	*			trans	61.3	76.4	172.2	-67.7	-171.1	174.4	-178.4	0	118.1
548	S	27.6	Very low	26.4	Very low	84 Å²	84	138.3 Å²	138.3	59%	0.587	73%	0.726	S	S	*	*	S	Bend	trans	-170.2	111.3	138.2	60	0	0	0	0	106
549	I	29.3	Very low	26.4	Very low	150 Å²	150	144.1 Å²	144.1	77%	0.769	74%	0.74	S	S	*	*			cis	-148.2	112.4	26.9	-78.7	144.9	0	0	0	104.4
550	S	23.9	Very low	26.9	Very low	87 Å²	87	139.7 Å²	139.7	61%	0.608	73%	0.732	S	S	*	*				44	121.4	74.1	68.3	0	0	0	0	114.5
551	E	27.4	Very low	26.9	Very low	173 Å²	173	140.2 Å²	140.2	81%	0.808	73%	0.73	S	S	*	*			trans	72	138.2	173.6	-64.1	157.1	-135.9	0	0	115.2
552	T	29.6	Very low	26.9	Very low	107 Å²	107	143.3 Å²	143.3	66%	0.656	73%	0.734	S	S	*	*			cis	-151	152.6	5.8	-0.7	0	0	0	0	113
553	N	26.6	Very low	26.8	Very low	126 Å²	126	141 Å²	141	67%	0.674	74%	0.736	S	S	*	*			trans	51.1	112.9	143.1	-67.4	-23.8	0	0	0	119.9
554	N	26.1	Very low	26.8	Very low	129 Å²	129	139.2 Å²	139.2	69%	0.69	73%	0.725	S	S	*	*				84.6	150.2	66	-84.4	-46.5	0	0	0	113.6
555	N	27.7	Very low	26.9	Very low	127 Å²	127	143.2 Å²	143.2	68%	0.679	74%	0.736	S	S	*	*			trans	72.9	144.9	157.8	-63.2	-15.6	0	0	0	117.8
556	Q	27.3	Very low	26.7	Very low	119 Å²	119	140.1 Å²	140.1	56%	0.556	73%	0.728	S	S	*	*			cis	-165.8	131.8	-17	-121.4	164.7	-30.5	0	0	110.4
557	Y	26.3	Very low	26.7	Very low	216 Å²	216	138 Å²	138	85%	0.847	72%	0.718	S	S	*	*			trans	58.5	163.9	159.5	-46.8	160	0	0	0	116.1
558	G	27.3	Very low	26.7	Very low	71 Å²	71	134.1 Å²	134.1	73%	0.732	71%	0.707	S	S	*	*			cis	-168.6	166.8	-6.6	0	0	0	0	0	111.9
559	F	26	Very low	26.9	Very low	208 Å²	208	138 Å²	138	91%	0.912	72%	0.715	S	S	*	*			trans	-64	-178.3	171.5	-68.1	-84.4	0	0	0	113.2
560	P	33.8	Very low	26.8	Very low	109 Å²	109	137.3 Å²	137.3	71%	0.708	71%	0.714	S	S	*	*			cis	-131.9	-152.9	-48.7	34.1	-16	0	0	0	111.2
561	I	25.8	Very low	26.9	Very low	126 Å²	126	140.4 Å²	140.4	65%	0.646	72%	0.723	S	S	*	*			trans	135.2	132.3	137.1	-71.9	-177.5	0	0	0	116.3
562	Q	25.2	Very low	27.3	Very low	158 Å²	158	137.6 Å²	137.6	74%	0.738	72%	0.72	S	S	*	*			trans	54.6	129.6	162.6	-70.2	147.1	11.3	0	0	118.1
563	S	23.4	Very low	27.1	Very low	99 Å²	99	136.5 Å²	136.5	69%	0.692	73%	0.73	S	S	*	*			cis	79.6	168.5	35.4	94.3	0	0	0	0	115.1
564	I	24.9	Very low	27.1	Very low	134 Å²	134	134.2 Å²	134.2	69%	0.687	74%	0.736	S	S	*	*			trans	64	129.7	-168.1	-14.3	177.2	0	0	0	111.6
565	Y	27.3	Very low	27.2	Very low	222 Å²	222	136.1 Å²	136.1	87%	0.871	74%	0.744	S	S	*	*			cis	-124.3	170.2	23.5	-108.9	-85.6	0	0	0	115.7
566	N	24.7	Very low	27.1	Very low	125 Å²	125	137.2 Å²	137.2	67%	0.668	75%	0.749	S	S	*	*			trans	-139.7	158.6	-165.7	-160.7	12.5	0	0	0	112.3
567	N	24.7	Very low	27.1	Very low	119 Å²	119	138.6 Å²	138.6	64%	0.636	76%	0.76	S	S	*	*			trans	72.6	152.8	159.3	-61.9	-33.7	0	0	0	122.4
568	N	25.9	Very low	27.2	Very low	127 Å²	127	135.4 Å²	135.4	68%	0.679	76%	0.755	S	S	*	*			trans	71	128.1	162	-51.4	-30.2	0	0	0	116.4
569	H	30.9	Very low	27.3	Very low	165 Å²	165	138.6 Å²	138.6	76%	0.764	76%	0.755	S	S	*	*			cis	-134.2	134.3	32.7	-84.4	-67.6	0	0	0	112.2
570	N	28.9	Very low	27.7	Very low	137 Å²	137	135.7 Å²	135.7	73%	0.733	75%	0.754	S	S	*	*				82	131.8	79.7	-69.1	2.5	0	0	0	115.2
571	N	25.1	Very low	27.6	Very low	151 Å²	151	139.7 Å²	139.7	81%	0.807	76%	0.761	S	S	*	*			trans	-101.7	-158.2	-173.6	-162.3	15.7	0	0	0	110.6
572	P	34.7	Very low	28	Very low	115 Å²	115	141.9 Å²	141.9	75%	0.747	77%	0.773	S	S	*	*				-97.5	173.7	-111.8	37.4	-24.1	0	0	0	115.2
573	G	26.9	Very low	28.3	Very low	83 Å²	83	139.1 Å²	139.1	86%	0.856	77%	0.771	S	S	*	*			trans	154	132.6	164.3	0	0	0	0	0	113
574	G	26.1	Very low	28.6	Very low	78 Å²	78	139.7 Å²	139.7	80%	0.804	77%	0.77	S	S	*	*			trans	-111.3	161.8	177.6	0	0	0	0	0	113.2
575	I	28.2	Very low	29	Very low	169 Å²	169	141.1 Å²	141.1	87%	0.867	78%	0.778	S	S	*	*			trans	-140.5	153.5	171	-90.3	163	0	0	0	108.6
576	L	25.3	Very low	29.2	Very low	150 Å²	150	138.8 Å²	138.8	79%	0.785	78%	0.775	S	S	*	*			trans	-79.8	168.5	-172.9	-46.8	91.7	0	0	0	113.2
577	L	27.6	Very low	29.6	Very low	148 Å²	148	138 Å²	138	78%	0.775	78%	0.777	S	S	*	*				169.8	120.4	100.3	-159.5	68.5	0	0	0	115.6
578	M	29	Very low	30.4	Very low	150 Å²	150	137.1 Å²	137.1	74%	0.739	78%	0.777	S	S	*	*			trans	46.3	124.7	148.6	-56.7	-58.3	178.8	0	0	125.6
579	D	29.4	Very low	30.9	Very low	137 Å²	137	138.1 Å²	138.1	73%	0.733	78%	0.781	S	S	*	*				34.5	131.8	129.2	-65	-9.7	0	0	0	124.1
580	T	33.9	Very low	30.8	Very low	148 Å²	148	136.3 Å²	136.3	91%	0.908	78%	0.777	S	S	*	*				-174.3	175.4	97.3	24.9	0	0	0	0	114.1
581	K	31.3	Very low	30.8	Very low	193 Å²	193	136.8 Å²	136.8	84%	0.839	78%	0.779	S	S	*	*			trans	-99	158.5	-164.7	-47.7	165.8	-176	170.4	0	114.3
582	L	34.3	Very low	31.1	Very low	171 Å²	171	137.3 Å²	137.3	90%	0.895	78%	0.78	S	S	*	*				-165.4	171.8	116.8	-128.6	67	0	0	0	113.6
583	S	31.6	Very low	30.7	Very low	101 Å²	101	138.4 Å²	138.4	71%	0.706	79%	0.785	S	S	*	*			trans	-123.3	-175.5	-172	56.1	0	0	0	0	112.8
584	T	29.9	Very low	30.8	Very low	110 Å²	110	139.1 Å²	139.1	68%	0.675	78%	0.777	S	S	*	*				150.9	132	118.9	-63.8	0	0	0	0	117
585	I	32.7	Very low	30.7	Very low	165 Å²	165	142.8 Å²	142.8	85%	0.846	78%	0.777	S	S	*	*			trans	88	146.1	153.8	-83.2	167.7	0	0	0	123.9
586	Q	31	Very low	30.6	Very low	173 Å²	173	140.5 Å²	140.5	81%	0.808	77%	0.771	S	S	*	*			trans	-167.1	-160.6	-174	-123.6	-166.1	0.6	0	0	107.1
587	P	34.9	Very low	30.6	Very low	109 Å²	109	137.8 Å²	137.8	71%	0.708	77%	0.765	S	S	*	*			cis	-122	-86.3	-14.4	17.7	8	0	0	0	119.2
588	P	40.7	Very low	30.5	Very low	99 Å²	99	137.1 Å²	137.1	64%	0.643	76%	0.762	S	S	*	*			trans	-137.4	-161.1	-145.1	44.1	-22.1	0	0	0	116.3
589	I	35.9	Very low	30.7	Very low	148 Å²	148	139.2 Å²	139.2	76%	0.759	77%	0.77	S	S	*	*				172.9	121.5	126.9	-87.6	157.8	0	0	0	115.4
590	N	30	Very low	30.6	Very low	128 Å²	128	137.4 Å²	137.4	68%	0.684	77%	0.767	S	S	*	*			trans	28.4	135.8	140.9	-43.6	-17	0	0	0	125.7
591	N	27.2	Very low	30.5	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	76%	0.764	S	S	*	*				29.8	137	128.2	-51.2	-12.2	0	0	0	122.4
592	I	32.6	Very low	30.3	Very low	162 Å²	162	137.1 Å²	137.1	83%	0.831	76%	0.76	S	S	*	*				-174.2	146.4	109.9	-96.2	157.8	0	0	0	112.1
593	T	26.6	Very low	30.3	Very low	138 Å²	138	135.9 Å²	135.9	85%	0.847	75%	0.753	S	S	*	*			trans	-93.7	131.4	174.3	-53.9	0	0	0	0	111.4
594	S	28	Very low	30.3	Very low	99 Å²	99	137.8 Å²	137.8	69%	0.692	75%	0.75	S	S	*	*			trans	-177.2	148.9	143.9	53.7	0	0	0	0	116.3
595	L	25.2	Very low	30.7	Very low	154 Å²	154	139.5 Å²	139.5	81%	0.806	75%	0.749	S	S	*	*			trans	43.5	112.5	141.5	-88.6	65.7	0	0	0	123.3
596	V	24.9	Very low	30.9	Very low	122 Å²	122	137.7 Å²	137.7	74%	0.739	74%	0.74	S	S	*	*				69.6	123.4	105	168.6	0	0	0	0	121
597	S	25.4	Very low	31.2	Very low	92 Å²	92	136.1 Å²	136.1	64%	0.643	74%	0.738	S	S	*	*			trans	81.4	134.6	147.3	-79.4	0	0	0	0	122.5
598	N	26	Very low	31.4	Very low	135 Å²	135	135.2 Å²	135.2	72%	0.722	73%	0.732	S	S	*	*			trans	56.3	112.5	140	-56	-15	0	0	0	119
599	H	34.1	Very low	31.2	Very low	194 Å²	194	137.3 Å²	137.3	90%	0.898	74%	0.737	S	S	*	*				-154.4	115.4	110.6	-117.4	-75.7	0	0	0	113
600	S	26.5	Very low	31.1	Very low	98 Å²	98	136.8 Å²	136.8	69%	0.685	74%	0.735	S	S	*	*			trans	-89.6	175.7	165.7	-39.5	0	0	0	0	110.5
601	K	32.4	Very low	31.3	Very low	191 Å²	191	136.3 Å²	136.3	83%	0.83	73%	0.732	S	S	*	*			trans	84.7	147	170.3	-59.3	-175.2	172.5	-174.1	0	116.1
602	L	26.9	Very low	31.7	Very low	144 Å²	144	135.5 Å²	135.5	75%	0.754	73%	0.728	S	S	*	*			cis	-169.4	-165.7	-19.7	-112.3	171.4	0	0	0	106.6
603	I	33.4	Very low	31.9	Very low	146 Å²	146	135.4 Å²	135.4	75%	0.749	73%	0.729	S	S	*	*			trans	85.4	123.7	155.1	-56.2	-175	0	0	0	115.2
604	E	33	Very low	32.4	Very low	140 Å²	140	133.5 Å²	133.5	65%	0.654	72%	0.719	S	S	*	*			cis	-174.5	172	-14.1	-148.2	174.5	-144.2	0	0	112.1
605	K	37.2	Very low	32.5	Very low	147 Å²	147	135.4 Å²	135.4	64%	0.639	72%	0.721	S	S	*	*			trans	74.9	144.9	157	-63.3	-170.7	152.3	46.9	0	119.6
606	D	37.1	Very low	32.8	Very low	126 Å²	126	135.4 Å²	135.4	67%	0.674	72%	0.717	S	S	*	*			cis	-165.5	151	-13.8	-93.9	-21.4	0	0	0	106.8
607	D	37.4	Very low	33.1	Very low	141 Å²	141	136.4 Å²	136.4	75%	0.754	72%	0.718	S	S	*	*			cis	-151.1	-121.3	-20.1	-169.6	21.3	0	0	0	110.2
608	P	39.4	Very low	33.2	Very low	89 Å²	89	139 Å²	139	58%	0.578	73%	0.725	S	S	*	*			trans	-135.6	-153.1	-149.5	43.8	-20.2	0	0	0	117.3
609	L	35.6	Very low	33.4	Very low	144 Å²	144	142.4 Å²	142.4	75%	0.754	74%	0.736	S	S	*	*			trans	92.3	135.3	166.7	-48.3	-173.3	0	0	0	118
610	L	33.9	Very low	33.2	Very low	137 Å²	137	137.3 Å²	137.3	72%	0.717	72%	0.723	S	S	*	*			cis	-158.1	147.4	-11.7	-100.1	166.8	0	0	0	110.9
611	N	34.4	Very low	33.3	Very low	118 Å²	118	139.5 Å²	139.5	63%	0.631	73%	0.726	S	S	*	*			trans	55.1	112.3	146.7	-67.5	25.1	0	0	0	124.7
612	D	35.6	Very low	33.1	Very low	129 Å²	129	137.7 Å²	137.7	69%	0.69	72%	0.724	S	S	*	*				72.6	138.1	108.1	-49.4	-26	0	0	0	125.6
613	D	36.3	Very low	33.1	Very low	159 Å²	159	135.6 Å²	135.6	85%	0.85	72%	0.722	S	S	*	*			trans	80	148.1	150.2	-84.3	-4.5	0	0	0	122.8
614	P	37.3	Very low	32.6	Very low	98 Å²	98	136.6 Å²	136.6	64%	0.636	73%	0.728	S	S	*	*			trans	-127.7	165	-147	41.3	-26.1	0	0	0	115.5
615	N	30.8	Very low	32.3	Very low	139 Å²	139	135.2 Å²	135.2	74%	0.743	73%	0.733	S	S	*	*				179.3	163.3	125	-103.2	-66.9	0	0	0	114.6
616	H	32	Very low	31.8	Very low	154 Å²	154	135.8 Å²	135.8	71%	0.713	74%	0.744	S	S	*	*			trans	61.9	94.6	160.5	-69.3	-45.4	0	0	0	121.5
617	N	31.3	Very low	31.2	Very low	143 Å²	143	133.2 Å²	133.2	77%	0.765	75%	0.746	S	S	*	*				55	90.4	114.6	-58.7	1.5	0	0	0	118.6
618	N	27.5	Very low	30.8	Very low	148 Å²	148	134.3 Å²	134.3	79%	0.791	75%	0.751	S	S	*	*			trans	-62.5	134.7	152.7	-67.6	-49.3	0	0	0	111.2
619	H	30.4	Very low	30	Very low	205 Å²	205	135.5 Å²	135.5	95%	0.949	76%	0.756	S	S	*	*			trans	-154.3	105.5	138.5	-102.9	-66.9	0	0	0	108.7
620	S	29.3	Very low	29.5	Very low	88 Å²	88	139 Å²	139	62%	0.615	76%	0.761	S	S	*	*			trans	-131.7	152.9	-174.6	49	0	0	0	0	111.4
621	N	29.1	Very low	29.2	Very low	143 Å²	143	140.1 Å²	140.1	77%	0.765	76%	0.762	S	S	*	*			trans	68.5	123	171.6	-49.7	-23.1	0	0	0	115.2
622	I	26.8	Very low	28.7	Very low	154 Å²	154	142.7 Å²	142.7	79%	0.79	77%	0.771	S	S	*	*			cis	79.6	122.7	24.8	-49.3	177.8	0	0	0	114.6
623	S	26.8	Very low	28.3	Very low	100 Å²	100	141.2 Å²	141.2	70%	0.699	77%	0.77	S	S	*	*			trans	66.2	103.7	161.6	-66.7	0	0	0	0	121.5
624	L	24.2	Very low	27.8	Very low	167 Å²	167	140.2 Å²	140.2	87%	0.874	76%	0.763	S	S	*	*				29.1	113.2	115.8	-66.9	162.8	0	0	0	118.6
625	S	25.5	Very low	27.4	Very low	110 Å²	110	145.4 Å²	145.4	77%	0.769	78%	0.776	S	S	*	*				-177.5	151.1	115.8	44.8	0	0	0	0	114.5
626	N	26.7	Very low	27.2	Very low	160 Å²	160	148.4 Å²	148.4	86%	0.856	78%	0.779	S	S	*	*			trans	44.1	104.5	150.8	-61.8	-7.5	0	0	0	122.2
627	G	24.8	Very low	26.8	Very low	71 Å²	71	147.8 Å²	147.8	73%	0.732	78%	0.781	S	S	*	*			trans	90.7	129.9	132.4	0	0	0	0	0	118.4
628	I	28.7	Very low	26.7	Very low	165 Å²	165	146.3 Å²	146.3	85%	0.846	78%	0.779	S	S	*	*			trans	-178	99.9	143.1	-93.8	151.9	0	0	0	109.2
629	T	24.2	Very low	26.6	Very low	113 Å²	113	144.6 Å²	144.6	69%	0.693	77%	0.774	S	S	*	*				21	128.1	119.1	-49.8	0	0	0	0	119.6
630	Y	23.9	Very low	26.5	Very low	219 Å²	219	141.2 Å²	141.2	86%	0.859	76%	0.761	S	S	*	*			trans	32.2	121.1	159.5	-68.3	-66.7	0	0	0	120.3
631	H	27.9	Very low	26.3	Very low	160 Å²	160	143.7 Å²	143.7	74%	0.741	77%	0.767	S	S	*	*				-160.2	163.3	99.5	-132.5	-95.7	0	0	0	114.2
632	Q	24.9	Very low	26.1	Very low	172 Å²	172	142.8 Å²	142.8	80%	0.804	77%	0.768	S	S	*	*			trans	-95.8	130.5	163.7	-66.3	-177.7	-60.9	0	0	110.2
633	S	26.6	Very low	26.3	Very low	97 Å²	97	141.4 Å²	141.4	68%	0.678	77%	0.766	S	S	*	*			trans	-116.1	120.7	161.8	-47.2	0	0	0	0	106
634	I	25.1	Very low	26.2	Very low	138 Å²	138	143.5 Å²	143.5	71%	0.708	77%	0.77	S	S	*	*				48.2	99.6	63.4	-50	-179.1	0	0	0	110.1	Y636	I634-Y636 HydrophobicContact CG2-CD2 4.2Å
635	F	28.3	Very low	26.5	Very low	208 Å²	208	142.2 Å²	142.2	91%	0.912	76%	0.764	S	S	*	*			trans	-122.2	112.9	158.8	-103.6	-81.3	0	0	0	108.1
636	Y	27	Very low	26.7	Very low	202 Å²	202	143.4 Å²	143.4	79%	0.792	76%	0.762	S	S	*	*			trans	-77.5	161.6	173.3	-115.8	-113.4	0	0	0	110.5	I634 P638	I634-Y636 HydrophobicContact CG2-CD2 4.2Å; Y636-P638 WeakPolarHBondContact O-CD 3.48Å
637	N	23.3	Very low	27	Very low	141 Å²	141	143.9 Å²	143.9	75%	0.754	76%	0.758	S	S	*	*			trans	-68.3	126.4	163.3	-98.5	-9.3	0	0	0	109.9	T639	N637-T639 PolarHBondContact O-N 2.85Å
638	P	29.8	Very low	27.2	Very low	111 Å²	111	146.1 Å²	146.1	72%	0.721	76%	0.758	S	S	*	*			trans	-82.3	85.5	165.8	33.1	-31.4	0	0	0	109.8	Y636 I640	Y636-P638 WeakPolarHBondContact O-CD 3.48Å; P638-I640 PolarHBondContact O-N 2.98Å
639	T	25	Very low	27.4	Very low	112 Å²	112	143.7 Å²	143.7	69%	0.687	76%	0.755	S	S	*	*			trans	-72.8	92.3	166.7	-56	0	0	0	0	108.8	N637 N641	N637-T639 PolarHBondContact O-N 2.85Å; T639-N641 PolarHBondContact O-N 3.26Å; T639-N641 VanDerWaalsContact O-N 3.16Å
640	I	28	Very low	27.5	Very low	134 Å²	134	145.3 Å²	145.3	69%	0.687	76%	0.76	S	S	*	*			trans	-78.4	99.8	177.4	-54.2	-178.8	0	0	0	109.2	P638 T642	P638-I640 PolarHBondContact O-N 2.98Å; I640-T642 HydrophobicContact CG2-CG2 3.85Å; I640-T642 PolarHBondContact O-N 3.34Å
641	N	25	Very low	27.9	Very low	140 Å²	140	142 Å²	142	75%	0.749	76%	0.756	S	S	*	*			trans	-73.6	100.7	164.4	-76.9	-15.5	0	0	0	109.2	T639 T643	T639-N641 PolarHBondContact O-N 3.26Å; T639-N641 VanDerWaalsContact O-N 3.16Å; N641-T643 PolarHBondContact O-N 2.92Å
642	T	26.2	Very low	28	Very low	125 Å²	125	141.4 Å²	141.4	77%	0.767	76%	0.759	S	S	*	*			trans	-86	101.7	169.9	53.2	0	0	0	0	110.4	I640	I640-T642 HydrophobicContact CG2-CG2 3.85Å; I640-T642 PolarHBondContact O-N 3.34Å
643	T	30.8	Very low	28.2	Very low	125 Å²	125	138.4 Å²	138.4	77%	0.767	76%	0.755	S	S	*	*			trans	-99.4	118.5	166.2	51.6	0	0	0	0	110.2	N641	N641-T643 PolarHBondContact O-N 2.92Å
644	N	25.5	Very low	28.2	Very low	144 Å²	144	142.5 Å²	142.5	77%	0.77	76%	0.76	S	S	*	*			trans	17.1	123.1	156.4	-50.9	-3.1	0	0	0	118.3
645	N	30.5	Very low	28.4	Very low	140 Å²	140	146.9 Å²	146.9	75%	0.749	77%	0.77	S	S	*	*				-163.4	134.2	94.9	-83.2	-16.5	0	0	0	110.7
646	D	29.8	Very low	28.3	Very low	135 Å²	135	143.7 Å²	143.7	72%	0.722	76%	0.761	S	S	*	*			trans	16.5	135.9	143.4	-34.1	-39.4	0	0	0	118.7
647	H	31.8	Very low	28.3	Very low	169 Å²	169	140 Å²	140	78%	0.782	76%	0.76	S	S	*	*			cis	-163.1	135	41.4	-129.5	-75.8	0	0	0	113.2
648	V	29.4	Very low	28.5	Very low	119 Å²	119	141.6 Å²	141.6	72%	0.721	76%	0.763	S	S	*	*			trans	32.9	113.8	141	179.6	0	0	0	0	120.1
649	S	31.8	Very low	28.4	Very low	114 Å²	114	143.4 Å²	143.4	80%	0.797	77%	0.766	S	S	*	*				-177.3	159.1	101.5	37.1	0	0	0	0	112.6
650	N	27.2	Very low	28.6	Very low	147 Å²	147	144 Å²	144	79%	0.786	78%	0.775	S	S	*	*			trans	-93.4	155.1	-174.3	-53.8	-36.6	0	0	0	112.1
651	N	31.2	Very low	28.5	Very low	148 Å²	148	144 Å²	144	79%	0.791	78%	0.777	S	S	*	*				-179.7	130.3	111.1	-84.8	-10.3	0	0	0	112.6
652	D	30.8	Very low	28.8	Very low	148 Å²	148	144 Å²	144	79%	0.791	77%	0.772	S	S	*	*			trans	35.7	139.4	154.4	-54.5	-27	0	0	0	124.2
653	P	28.6	Very low	29	Very low	110 Å²	110	145.9 Å²	145.9	71%	0.714	78%	0.777	S	S	*	*			trans	-93.1	-179.4	177.2	38.7	-36.3	0	0	0	114.7
654	F	27.4	Very low	28.8	Very low	182 Å²	182	145.9 Å²	145.9	80%	0.798	78%	0.78	S	S	*	*			trans	82.4	82.1	178.8	-72.1	-88.8	0	0	0	118.3
655	Y	28.7	Very low	29	Very low	231 Å²	231	144.1 Å²	144.1	91%	0.906	77%	0.771	S	S	*	*			trans	-155.8	106.7	131.5	-90.8	-75.2	0	0	0	106.5
656	L	26.5	Very low	29	Very low	141 Å²	141	144 Å²	144	74%	0.738	77%	0.766	S	S	*	*				60.7	116.6	74.3	-95.3	170.4	0	0	0	116.2
657	T	27.6	Very low	28.9	Very low	125 Å²	125	146.7 Å²	146.7	77%	0.767	77%	0.774	S	S	*	*			trans	81.9	147.7	164.3	71.9	0	0	0	0	119.8
658	Q	27.1	Very low	28.7	Very low	173 Å²	173	146.6 Å²	146.6	81%	0.808	78%	0.777	S	S	*	*			trans	60	89.2	168.4	-64.6	-179.4	-21.9	0	0	118.7
659	N	26.9	Very low	28.7	Very low	149 Å²	149	146.2 Å²	146.2	80%	0.797	78%	0.775	S	S	*	*	S	Bend		170	80.8	116.9	-84.2	-11.8	0	0	0	113.1
660	S	29.5	Very low	28.5	Very low	125 Å²	125	146.2 Å²	146.2	87%	0.874	78%	0.776	S	S	*	*	S	Bend	trans	-154.8	16.4	170	57	0	0	0	0	114.2
661	N	27.6	Very low	28.6	Very low	135 Å²	135	146.9 Å²	146.9	72%	0.722	78%	0.778	S	S	*	*	S	Bend	trans	-109.9	18.1	-172.2	-149.6	9.5	0	0	0	113.4
662	E	30.8	Very low	28.3	Very low	139 Å²	139	145 Å²	145	65%	0.65	78%	0.776	S	S	*	*	S	Bend	trans	-135.3	36.6	-160.2	-158.9	154.3	-143.7	0	0	114.2
663	L	30.1	Very low	28.2	Very low	164 Å²	164	146.2 Å²	146.2	86%	0.859	78%	0.775	S	S	*	*	S	Bend	trans	-141.5	17.4	160.8	-143.6	76.1	0	0	0	114.8
664	C	27.2	Very low	28.3	Very low	125 Å²	125	149.4 Å²	149.4	85%	0.845	79%	0.785	S	S	*	*	S	Bend	trans	-133	27.5	169.5	-153.1	0	0	0	0	112.3
665	N	28.5	Very low	28.2	Very low	108 Å²	108	146.4 Å²	146.4	58%	0.578	78%	0.782	S	S	*	*	S	Bend	trans	-136.1	15.5	-179.7	-88	-44.7	0	0	0	113.6
666	Q	29.9	Very low	28.2	Very low	138 Å²	138	141.9 Å²	141.9	65%	0.645	77%	0.773	S	S	*	*	S	Bend	trans	-107.6	13.9	-177	-72.5	-168.3	-6.1	0	0	115.2
667	H	28.5	Very low	28.3	Very low	191 Å²	191	144.8 Å²	144.8	88%	0.884	78%	0.776	S	S	*	*	S	Bend	trans	-125.9	10.4	174.2	-102.3	-101.6	0	0	0	115
668	I	28.1	Very low	28.3	Very low	166 Å²	166	145.1 Å²	145.1	85%	0.851	77%	0.773	S	S	*	*	S	Bend	trans	-129.8	42.8	174.4	-40.5	-177.3	0	0	0	111.7
669	T	28.6	Very low	28.2	Very low	111 Å²	111	143.4 Å²	143.4	68%	0.681	77%	0.768	S	S	*	*	S	Bend	trans	-136	33.4	169.3	-35.2	0	0	0	0	112.7
670	S	28.6	Very low	28.2	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	76%	0.762	S	S	*	*	S	Bend	trans	-136.6	56.8	177.3	-69.8	0	0	0	0	112.3
671	L	27.8	Very low	28	Very low	161 Å²	161	142.3 Å²	142.3	84%	0.843	76%	0.757	S	S	*	*			trans	-176.1	37.8	154.9	-103	163.7	0	0	0	113.5	K673	L671-K673 PolarHBondContact O-N 3.22Å
672	S	25.2	Very low	28.1	Very low	107 Å²	107	142.6 Å²	142.6	75%	0.748	76%	0.757	S	S	*	*			trans	-75.9	33.4	176.9	51.1	0	0	0	0	114.2
673	K	30.5	Very low	27.8	Very low	175 Å²	175	141.1 Å²	141.1	76%	0.761	76%	0.762	S	S	*	*			trans	-145	66.7	-174.6	-69.8	-171.5	178.4	179	0	113.1	L671	L671-K673 PolarHBondContact O-N 3.22Å
674	L	28.7	Very low	27.6	Very low	176 Å²	176	139.3 Å²	139.3	92%	0.921	75%	0.753	S	S	*	*			trans	-172.9	60.5	146.5	-104	161.3	0	0	0	111.1
675	T	26.4	Very low	27.5	Very low	119 Å²	119	139.2 Å²	139.2	73%	0.73	75%	0.751	S	S	*	*			trans	-75.3	133.9	162.7	48.9	0	0	0	0	110
676	N	28.2	Very low	27.6	Very low	137 Å²	137	140.9 Å²	140.9	73%	0.733	76%	0.758	S	S	*	*			trans	-179.4	158	131	-92.4	-22.6	0	0	0	112.3
677	Y	29.3	Very low	27.3	Very low	202 Å²	202	137 Å²	137	79%	0.792	74%	0.742	S	S	*	*			trans	67.1	96.9	-174.5	-59.1	-81.1	0	0	0	113.4
678	N	28.1	Very low	27.3	Very low	131 Å²	131	131.4 Å²	131.4	70%	0.701	72%	0.721	S	S	*	*				60.6	138.4	67.3	-62.1	-26.2	0	0	0	112.9
679	L	25	Very low	27.2	Very low	137 Å²	137	126 Å²	126	72%	0.717	69%	0.694	S	S	*	*			cis	171.7	154.4	-21.2	-136.8	74.5	0	0	0	103.8
680	T	25.4	Very low	27.2	Very low	108 Å²	108	125.6 Å²	125.6	66%	0.663	69%	0.687	S	S	*	*			trans	65.2	141.2	157	53.8	0	0	0	0	120.9
681	N	26.2	Very low	27.1	Very low	144 Å²	144	127.3 Å²	127.3	77%	0.77	69%	0.687	S	S	*	*			trans	69.5	137.4	175.2	-39.6	-36.3	0	0	0	112.7
682	I	28.7	Very low	27.1	Very low	140 Å²	140	126.6 Å²	126.6	72%	0.718	68%	0.683	S	S	*	*			cis	-135.2	143.2	11.9	-64.7	164.4	0	0	0	106.2	D684	I682-D684 HydrophobicContact CG2-CB 4.41Å
683	S	25.7	Very low	27.2	Very low	108 Å²	108	128.2 Å²	128.2	76%	0.755	68%	0.682	S	S	*	*			cis	84.2	38.6	28.3	-52.9	0	0	0	0	117
684	D	25.7	Very low	27	Very low	127 Å²	127	126.6 Å²	126.6	68%	0.679	68%	0.682	S	S	*	*			trans	-148.8	135.3	167.2	-93.1	-47.5	0	0	0	113.6	I682 I686	I682-D684 HydrophobicContact CG2-CB 4.41Å; D684-I686 HydrophobicContact CB-CG1 4.29Å; D684-I686 PolarHBondContact O-N 2.92Å
685	P	24.9	Very low	27	Very low	123 Å²	123	124.7 Å²	124.7	80%	0.799	68%	0.678	S	S	*	*			trans	-90.5	86.7	167.7	34.8	-29.9	0	0	0	110.7	N687	P685-N687 PolarHBondContact O-N 3.48Å; P685-N687 VanDerWaalsContact O-N 3.14Å
686	I	29.4	Very low	27.3	Very low	142 Å²	142	124.9 Å²	124.9	73%	0.728	68%	0.679	S	S	*	*			trans	-65.2	113.8	-172.3	-64.7	176.8	0	0	0	112.3	D684 V688	D684-I686 HydrophobicContact CB-CG1 4.29Å; D684-I686 PolarHBondContact O-N 2.92Å; I686-V688 HydrophobicContact CG2-CG1 4.06Å; I686-V688 PolarHBondContact O-N 3.45Å
687	N	25	Very low	27.3	Very low	57 Å²	57	126.3 Å²	126.3	31%	0.305	69%	0.686	S	S	.	*			trans	-86	106.4	-175.6	-169.9	17.7	0	0	0	112.6	P685 K759 H760	P685-N687 PolarHBondContact O-N 3.48Å; P685-N687 VanDerWaalsContact O-N 3.14Å; N687-K759 PolarHBondContact ND2-O 3.2Å; N687-K759 WeakPolarHBondContact O-CD 3.43Å; N687-K759 PolarHBondContact OD1-O 2.93Å; N687-H760 PolarHBondContact OD1-CE1 3.26Å; N687-H760 VanDerWaalsContact OD1-CE1 3.26Å; N687-H760 PolarHBondContact OD1-ND1 3.02Å
688	V	27.6	Very low	27.3	Very low	73 Å²	73	121.6 Å²	121.6	44%	0.442	68%	0.68	S	S	.	*			trans	-145.4	148.1	-179.9	-65.9	0	0	0	0	111.5	I686 K759 Y761	I686-V688 HydrophobicContact CG2-CG1 4.06Å; I686-V688 PolarHBondContact O-N 3.45Å; V688-K759 HydrophobicContact CB-CD 4.48Å; V688-K759 HydrophobicContact CG1-CD 4.09Å; V688-Y761 VanDerWaalsContact O-CD2 3.24Å; V688-Y761 WeakPolarHBondContact O-CD2 3.48Å; V688-Y761 WeakPolarHBondContact O-CE2 3.45Å
689	N	27.3	Very low	27.4	Very low	52 Å²	52	121.3 Å²	121.3	28%	0.278	69%	0.688	S	S	.	*			cis	-145.2	174.5	-1.8	-144.8	74.2	0	0	0	110.5	K759 Y761	N689-K759 VanDerWaalsContact OD1-CD 3.3Å; N689-K759 WeakPolarHBondContact OD1-CD 3.41Å; N689-K759 WeakPolarHBondContact OD1-CE 3.31Å; N689-K759 PolarHBondContact OD1-NZ 3.48Å; N689-Y761 HydrophobicContact CB-CE2 4.17Å; N689-Y761 VanDerWaalsContact N-CD2 3.35Å
690	L	26.9	Very low	27.6	Very low	104 Å²	104	121.9 Å²	121.9	55%	0.545	69%	0.691	S	S	.	*			trans	-105.4	177.5	161.5	-92.4	168.2	0	0	0	110.6
691	N	26.4	Very low	28	Very low	150 Å²	150	124.3 Å²	124.3	80%	0.802	70%	0.701	S	S	*	*			trans	-61.5	132.1	170.7	-58.6	-61.3	0	0	0	111.5
692	L	28.2	Very low	28.4	Very low	146 Å²	146	122 Å²	122	76%	0.764	69%	0.694	S	S	*	*			trans	179.9	120.5	140.8	-113.9	63.2	0	0	0	105.8
693	I	26.8	Very low	28.8	Very low	141 Å²	141	121.7 Å²	121.7	72%	0.723	69%	0.693	S	S	*	*				65.2	122.6	87.2	-60.5	176.7	0	0	0	114.2
694	N	27.4	Very low	29.3	Very low	141 Å²	141	124.7 Å²	124.7	75%	0.754	70%	0.695	S	S	*	*			trans	2.7	116.7	159.5	-52.5	-14.9	0	0	0	119.8
695	T	29.1	Very low	29.6	Very low	136 Å²	136	127 Å²	127	83%	0.834	70%	0.702	S	S	*	*			trans	-137	113.7	139.2	37.8	0	0	0	0	106.6
696	V	31.2	Very low	30.1	Very low	124 Å²	124	126.4 Å²	126.4	75%	0.752	70%	0.697	S	S	*	*				63.8	99.2	56.6	-173.3	0	0	0	0	111.1
697	L	30.1	Very low	30.2	Very low	167 Å²	167	127.8 Å²	127.8	87%	0.874	70%	0.701	S	S	*	*			trans	-71.5	143.9	159.2	-82.6	164.8	0	0	0	109
698	P	28	Very low	30.6	Very low	103 Å²	103	131.4 Å²	131.4	67%	0.669	72%	0.715	S	S	*	*			trans	-85.9	142.1	-166.8	33.3	-35.6	0	0	0	113.3
699	S	30.6	Very low	30.9	Very low	125 Å²	125	134.8 Å²	134.8	87%	0.874	73%	0.726	S	S	*	*			trans	-137.9	120.9	140.9	-78.7	0	0	0	0	107.2
700	N	28.4	Very low	31	Very low	148 Å²	148	138.7 Å²	138.7	79%	0.791	74%	0.743	S	S	*	*			trans	-77.8	142.4	167.9	-48.7	-61.2	0	0	0	108.3
701	D	34.9	Very low	31.2	Very low	160 Å²	160	138.9 Å²	138.9	86%	0.856	74%	0.744	S	S	*	*				-153.8	154.2	119.7	-100.7	-30.8	0	0	0	109.4
702	P	33.8	Very low	31.5	Very low	96 Å²	96	139.1 Å²	139.1	62%	0.623	74%	0.74	S	S	*	*			trans	-92.9	-164	-170.3	39.4	-37.7	0	0	0	112.7
703	D	36.7	Very low	31.9	Very low	133 Å²	133	140.1 Å²	140.1	71%	0.711	74%	0.741	S	S	*	*			trans	77.7	133	162.6	-60.5	-17.1	0	0	0	117.8
704	H	36.8	Very low	32	Very low	171 Å²	171	141.9 Å²	141.9	79%	0.792	75%	0.746	S	S	*	*			cis	-152.4	177.9	-16.3	-137.7	76	0	0	0	110.6
705	H	32	Very low	32.4	Very low	176 Å²	176	139.9 Å²	139.9	82%	0.815	74%	0.741	S	S	*	*			trans	-61.4	155.5	-177.6	-106	-25.8	0	0	0	114.5
706	P	34.7	Very low	32.4	Very low	109 Å²	109	144.2 Å²	144.2	71%	0.708	74%	0.742	S	S	*	*			trans	-81.4	169.8	179.7	37.4	-36.6	0	0	0	111.3
707	Q	31.5	Very low	32.7	Very low	171 Å²	171	144.6 Å²	144.6	80%	0.799	74%	0.744	S	S	*	*			trans	-156.9	144.3	154.6	-113	-178	11.2	0	0	114
708	H	34.2	Very low	32.8	Very low	133 Å²	133	143.4 Å²	143.4	62%	0.616	74%	0.739	S	S	*	*			trans	54.3	137.9	143.7	-86.4	-67.2	0	0	0	122.9
709	H	34	Very low	33.5	Very low	144 Å²	144	142.9 Å²	142.9	67%	0.667	74%	0.736	S	S	*	*			trans	63.9	153.8	141.3	-67.8	-50.7	0	0	0	118.5
710	Q	30.5	Very low	33.7	Very low	134 Å²	134	143.5 Å²	143.5	63%	0.626	73%	0.729	S	S	*	*			cis	-167.5	145.6	-34.7	-147.6	179.3	-68	0	0	105
711	D	29.5	Very low	34	Very low	108 Å²	108	142 Å²	142	58%	0.578	73%	0.725	S	S	*	*			trans	61.9	161	158.5	-56.9	-38.4	0	0	0	120.8
712	H	33.4	Very low	33.9	Very low	155 Å²	155	139.8 Å²	139.8	72%	0.718	72%	0.718	S	S	*	*			trans	77.7	122.1	146.8	-68.3	-17.4	0	0	0	122.1
713	Q	35.6	Very low	33.8	Very low	168 Å²	168	140 Å²	140	79%	0.785	72%	0.722	S	S	*	*			trans	87.7	101.6	134.3	-68.8	168.9	51.3	0	0	120
714	H	29.7	Very low	33.7	Very low	177 Å²	177	139 Å²	139	82%	0.819	72%	0.721	S	S	*	*				-28.8	167.4	129.2	-67.5	-69.1	0	0	0	115.4
715	P	36.3	Very low	33.6	Very low	100 Å²	100	136.3 Å²	136.3	65%	0.649	72%	0.717	S	S	*	*			cis	-134.9	-146.8	-29.4	33.6	-12.1	0	0	0	110.5
716	R	28.6	Very low	33.7	Very low	226 Å²	226	134 Å²	134	85%	0.853	71%	0.71	S	S	*	*			trans	81.3	153.2	169.2	-46.2	171.5	179.7	-169.6	-1.4	113.7
717	T	37.3	Very low	33.7	Very low	132 Å²	132	134.9 Å²	134.9	81%	0.81	71%	0.707	S	S	*	*			cis	-147.7	155.2	8.2	-24.6	0	0	0	0	113.1
718	N	33.4	Very low	33.8	Very low	142 Å²	142	132.8 Å²	132.8	76%	0.759	70%	0.702	S	S	*	*			trans	-55.8	171.5	157.5	-128.6	0.2	0	0	0	111.4
719	P	41.4	Very low	33.9	Very low	93 Å²	93	133.4 Å²	133.4	60%	0.604	71%	0.705	S	S	*	*			cis	-151.1	175.4	37.4	45.3	-25.2	0	0	0	119.8
720	N	34.8	Very low	33.9	Very low	137 Å²	137	132.6 Å²	132.6	73%	0.733	71%	0.705	S	S	*	*			trans	69	145.7	153.6	-60.8	-19.2	0	0	0	118
721	T	34.2	Very low	33.9	Very low	116 Å²	116	132.5 Å²	132.5	71%	0.712	71%	0.709	S	S	*	*			cis	-164.6	153.3	-12	20.7	0	0	0	0	105.4
722	T	33.6	Very low	34.1	Very low	115 Å²	115	134.7 Å²	134.7	71%	0.706	72%	0.721	S	S	*	*			cis	-159.8	150.7	19.5	-9.9	0	0	0	0	109.2
723	S	32.2	Very low	33.9	Very low	101 Å²	101	131.8 Å²	131.8	71%	0.706	72%	0.718	S	S	*	*			trans	53.6	136.5	145.4	-57.6	0	0	0	0	121.6
724	T	33.5	Very low	33.7	Very low	112 Å²	112	130.4 Å²	130.4	69%	0.687	72%	0.715	S	S	*	*			cis	-170	149	-4.5	14.3	0	0	0	0	109.7
725	T	34.4	Very low	33.7	Very low	114 Å²	114	127.4 Å²	127.4	70%	0.699	71%	0.705	S	S	*	*			trans	62.5	142.4	149.3	58.1	0	0	0	0	119.3
726	N	34	Very low	33.5	Very low	127 Å²	127	129.2 Å²	129.2	68%	0.679	71%	0.705	S	S	*	*			cis	-165.6	159.4	-1.3	-117.3	-1.5	0	0	0	112.7
727	I	35.8	Very low	33.6	Very low	127 Å²	127	124.2 Å²	124.2	65%	0.651	70%	0.696	S	S	*	*			trans	65.1	101.3	142.9	-65.8	167.8	0	0	0	115.6
728	N	33	Very low	33.4	Very low	127 Å²	127	124.6 Å²	124.6	68%	0.679	69%	0.693	S	S	*	*				77.9	156.8	85.3	-60.8	10.2	0	0	0	112
729	E	36.8	Very low	33.2	Very low	147 Å²	147	126 Å²	126	69%	0.687	69%	0.694	S	S	*	*			cis	-151.7	148.2	8.5	-133.7	138.8	-119.9	0	0	108.7
730	D	34.8	Very low	32.7	Very low	126 Å²	126	129.1 Å²	129.1	67%	0.674	71%	0.705	S	S	*	*			trans	48.2	127.1	136.1	-67.9	25.9	0	0	0	121.5
731	N	29.7	Very low	32.5	Very low	132 Å²	132	131.2 Å²	131.2	71%	0.706	71%	0.707	S	S	*	*				66.6	138.4	95	-50.1	-40.1	0	0	0	113.3
732	D	33.5	Very low	32.2	Very low	155 Å²	155	131.3 Å²	131.3	83%	0.829	70%	0.703	S	S	*	*			cis	-136.2	161.3	35.9	-91.7	-53	0	0	0	115.8
733	S	28.5	Very low	32.1	Very low	93 Å²	93	134 Å²	134	65%	0.65	71%	0.707	S	S	*	*			trans	-78.3	167.4	163.5	55.2	0	0	0	0	112.6
734	L	31.3	Very low	32	Very low	139 Å²	139	136.4 Å²	136.4	73%	0.728	71%	0.706	S	S	*	*				169.4	131.9	117.4	-87.5	169.1	0	0	0	111.2
735	N	29.9	Very low	31.8	Very low	114 Å²	114	138 Å²	138	61%	0.61	71%	0.709	S	S	*	*			trans	63.5	152	133.4	-66.3	19	0	0	0	121.1
736	E	32.4	Very low	31.4	Very low	138 Å²	138	137.1 Å²	137.1	65%	0.645	71%	0.708	S	S	*	*			cis	-159.7	153.1	-6.8	-118	166.3	133.3	0	0	109.8
737	N	31.2	Very low	31.1	Very low	122 Å²	122	138.3 Å²	138.3	65%	0.652	71%	0.712	S	S	*	*			trans	59.4	156	143.9	-54.8	-14.2	0	0	0	119.1
738	D	32.4	Very low	30.5	Very low	140 Å²	140	137.1 Å²	137.1	75%	0.749	72%	0.715	S	S	*	*			cis	-134.7	171.2	10.2	-113.7	-42.4	0	0	0	114.6
739	E	30.1	Very low	30.3	Very low	171 Å²	171	137.1 Å²	137.1	80%	0.799	72%	0.72	S	S	*	*			trans	-70.2	-153.1	-169.9	-47.4	-172.4	117.2	0	0	117.7
740	I	30.7	Very low	29.8	Very low	159 Å²	159	135.5 Å²	135.5	82%	0.815	72%	0.72	S	S	*	*			trans	81.4	112.3	175.7	-55.1	177	0	0	0	113.3
741	F	30.6	Very low	29.4	Very low	181 Å²	181	139.1 Å²	139.1	79%	0.794	73%	0.726	S	S	*	*			cis	-150.7	-177.2	0.8	-155.5	-110.4	0	0	0	112.5
742	N	27.9	Very low	29.3	Very low	117 Å²	117	138.7 Å²	138.7	63%	0.626	72%	0.724	S	S	*	*			trans	-128.4	138.2	-178.4	-97.7	-91.9	0	0	0	113.4
743	H	32.4	Very low	29.1	Very low	171 Å²	171	137.7 Å²	137.7	79%	0.792	72%	0.718	S	S	*	*			trans	-159.3	125.5	146.1	-122.7	-93.7	0	0	0	108.3
744	K	30	Very low	29.2	Very low	153 Å²	153	140 Å²	140	67%	0.665	72%	0.722	S	S	*	*			cis	67.4	136.4	40.4	-62.9	-177.5	172.1	176	0	112.7
745	L	28.3	Very low	29.1	Very low	145 Å²	145	139.8 Å²	139.8	76%	0.759	72%	0.722	S	S	*	*			cis	-151.9	174.6	13.6	-157.3	65.7	0	0	0	112.7
746	S	25.8	Very low	29.1	Very low	96 Å²	96	141.1 Å²	141.1	67%	0.671	73%	0.729	S	S	*	*			trans	-55.1	164	170.6	-39.9	0	0	0	0	115
747	I	28	Very low	29	Very low	152 Å²	152	141.6 Å²	141.6	78%	0.779	73%	0.731	S	S	*	*				-178.1	138.8	93.9	-79.7	148.5	0	0	0	105.8
748	S	24.1	Very low	28.9	Very low	102 Å²	102	141 Å²	141	71%	0.713	72%	0.724	S	S	*	*			cis	95.8	78.5	24.8	-173.6	0	0	0	0	117.3
749	T	28.2	Very low	28.7	Very low	126 Å²	126	138 Å²	138	77%	0.773	70%	0.704	S	S	*	*			trans	-178.2	140.4	153.1	35.3	0	0	0	0	107.6
750	T	26.5	Very low	28.7	Very low	114 Å²	114	136.5 Å²	136.5	70%	0.699	70%	0.697	S	S	*	*			cis	132.6	149.5	-2.8	45.3	0	0	0	0	109.6
751	Y	26.7	Very low	28.5	Very low	201 Å²	201	137.2 Å²	137.2	79%	0.788	69%	0.69	S	S	*	*			trans	80.4	105.7	174.4	-84.9	-91.3	0	0	0	119.8
752	N	26.3	Very low	28.3	Very low	124 Å²	124	136 Å²	136	66%	0.663	69%	0.687	S	S	*	*				33.8	135.9	125	-45.8	4.2	0	0	0	118.9
753	D	30.3	Very low	28.2	Very low	134 Å²	134	138.5 Å²	138.5	72%	0.717	69%	0.689	S	S	*	*				-157.6	142.1	70.4	-94.1	-25.5	0	0	0	116
754	I	30.4	Very low	28.1	Very low	142 Å²	142	134.3 Å²	134.3	73%	0.728	68%	0.679	S	S	*	*			trans	60.7	131.9	133.3	-56.6	168.8	0	0	0	120.9
755	D	28	Very low	28	Very low	134 Å²	134	132.8 Å²	132.8	72%	0.717	68%	0.677	S	S	*	*			trans	-52.8	148.7	-179.4	-49.7	-80	0	0	0	116.7
756	N	30.9	Very low	28	Very low	141 Å²	141	133.1 Å²	133.1	75%	0.754	68%	0.679	S	S	*	*				-175.8	154.8	102.2	-99.6	-69.9	0	0	0	115.8
757	H	30.8	Very low	28.2	Very low	149 Å²	149	134.8 Å²	134.8	69%	0.69	68%	0.676	S	S	*	*			trans	61.5	127.4	156.9	-87.1	-106.6	0	0	0	124.1
758	E	28.8	Very low	28.2	Very low	109 Å²	109	134.5 Å²	134.5	51%	0.509	67%	0.667	S	S	.	*			trans	61.2	74.5	135.7	-68.6	-178.5	116.7	0	0	123.7
759	K	28.5	Very low	28.5	Very low	76 Å²	76	134.5 Å²	134.5	33%	0.33	66%	0.664	S	S	.	*				45	91.3	99.4	-57.7	179.9	-176.3	-153.8	0	117.3	N687 V688 N689	N687-K759 PolarHBondContact ND2-O 3.2Å; N687-K759 WeakPolarHBondContact O-CD 3.43Å; N687-K759 PolarHBondContact OD1-O 2.93Å; V688-K759 HydrophobicContact CB-CD 4.48Å; V688-K759 HydrophobicContact CG1-CD 4.09Å; N689-K759 VanDerWaalsContact OD1-CD 3.3Å; N689-K759 WeakPolarHBondContact OD1-CD 3.41Å; N689-K759 WeakPolarHBondContact OD1-CE 3.31Å; N689-K759 PolarHBondContact OD1-NZ 3.48Å
760	H	29.4	Very low	28.5	Very low	140 Å²	140	136.9 Å²	136.9	65%	0.648	66%	0.66	S	S	*	*			trans	-143.9	134.7	155.2	-129.6	50.2	0	0	0	112.7	N687 H762	N687-H760 PolarHBondContact OD1-CE1 3.26Å; N687-H760 VanDerWaalsContact OD1-CE1 3.26Å; N687-H760 PolarHBondContact OD1-ND1 3.02Å; H760-H762 PolarHBondContact O-N 3.43Å; H760-H762 VanDerWaalsContact O-N 3.16Å
761	Y	26	Very low	29.1	Very low	174 Å²	174	135 Å²	135	68%	0.682	65%	0.649	S	S	*	*			trans	-77.3	99	-178.3	-87.6	-77.1	0	0	0	111.2	V688 N689 Y763	V688-Y761 VanDerWaalsContact O-CD2 3.24Å; V688-Y761 WeakPolarHBondContact O-CD2 3.48Å; V688-Y761 WeakPolarHBondContact O-CE2 3.45Å; N689-Y761 HydrophobicContact CB-CE2 4.17Å; N689-Y761 VanDerWaalsContact N-CD2 3.35Å; Y761-Y763 VanDerWaalsContact C-N 3.28Å; Y761-Y763 PolarHBondContact O-N 2.93Å
762	H	28	Very low	29.4	Very low	156 Å²	156	129.5 Å²	129.5	72%	0.722	63%	0.633	S	S	*	*			trans	-73.5	79.3	178	-142.7	-75.5	0	0	0	112.3	H760 S764	H760-H762 PolarHBondContact O-N 3.43Å; H760-H762 VanDerWaalsContact O-N 3.16Å; H762-S764 VanDerWaalsContact C-N 3.29Å; H762-S764 PolarHBondContact ND1-OG 2.76Å; H762-S764 PolarHBondContact O-N 3.37Å
763	Y	25.7	Very low	30	Very low	169 Å²	169	129.9 Å²	129.9	66%	0.663	63%	0.631	S	S	*	*			trans	-72.1	81.2	176.3	-165.2	-83.9	0	0	0	109.6	Y761 I765 K850	Y761-Y763 VanDerWaalsContact C-N 3.28Å; Y761-Y763 PolarHBondContact O-N 2.93Å; Y763-I765 HydrophobicContact CD1-CG1 3.91Å; Y763-I765 HydrophobicContact CE1-CG1 4.33Å; Y763-I765 PolarHBondContact O-N 3.34Å; Y763-K850 WeakPolarHBondContact OH-CE 3.37Å; Y763-K850 PolarHBondContact OH-NZ 3.27Å
764	S	29	Very low	30.6	Very low	84 Å²	84	127.6 Å²	127.6	59%	0.587	63%	0.625	S	S	*	*			trans	-64.7	90.5	-177.5	-65.6	0	0	0	0	112.2	H762 N766	H762-S764 VanDerWaalsContact C-N 3.29Å; H762-S764 PolarHBondContact ND1-OG 2.76Å; H762-S764 PolarHBondContact O-N 3.37Å; S764-N766 PolarHBondContact O-N 3.26Å; S764-N766 VanDerWaalsContact O-N 3.09Å; S764-N766 PolarHBondContact O-ND2 3.18Å
765	I	29	Very low	31.4	Very low	121 Å²	121	125.3 Å²	125.3	62%	0.621	61%	0.614	S	S	*	*			trans	-60.8	111.7	175.4	-62	178.6	0	0	0	108.1	Y763 Q767	Y763-I765 HydrophobicContact CD1-CG1 3.91Å; Y763-I765 HydrophobicContact CE1-CG1 4.33Å; Y763-I765 PolarHBondContact O-N 3.34Å; I765-Q767 HydrophobicContact CG2-CG 4.19Å; I765-Q767 PolarHBondContact O-N 3.09Å
766	N	26.6	Very low	32.4	Very low	152 Å²	152	125.2 Å²	125.2	81%	0.813	61%	0.607	S	S	*	*			trans	-68.9	84.5	171.7	-83.5	-110.6	0	0	0	109.7	S764	S764-N766 PolarHBondContact O-N 3.26Å; S764-N766 VanDerWaalsContact O-N 3.09Å; S764-N766 PolarHBondContact O-ND2 3.18Å
767	Q	30.1	Very low	33.7	Very low	130 Å²	130	122.3 Å²	122.3	61%	0.607	59%	0.587	S	S	*	*			trans	-65.3	160.6	157.2	-54.4	-165.2	33.2	0	0	108.9	I765	I765-Q767 HydrophobicContact CG2-CG 4.19Å; I765-Q767 PolarHBondContact O-N 3.09Å
768	Y	27.8	Very low	35.1	Very low	146 Å²	146	122.5 Å²	122.5	57%	0.573	59%	0.586	S	S	*	*			trans	62.7	68.3	-177.4	-50	-77.4	0	0	0	118.9	Y770	Y768-Y770 VanDerWaalsContact C-N 3.25Å; Y768-Y770 PolarHBondContact O-N 3.35Å
769	P	30.5	Very low	36.7	Very low	102 Å²	102	121.7 Å²	121.7	66%	0.662	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-19.2	164.5	-21	33.8	0	0	0	115.2
770	Y	28.8	Very low	38.3	Very low	176 Å²	176	122.7 Å²	122.7	69%	0.69	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	-24.2	-162.5	-88.7	-85.5	0	0	0	116.9	Y768	Y768-Y770 VanDerWaalsContact C-N 3.25Å; Y768-Y770 PolarHBondContact O-N 3.35Å
771	T	38.8	Very low	40.2	Very low	74 Å²	74	119.9 Å²	119.9	45%	0.454	58%	0.581	S	S	.	*	H	α-helix	trans	-77.4	-40.1	179.3	47.5	0	0	0	0	112.1	Q773 S774 I775	T771-Q773 PolarHBondContact O-N 2.94Å; T771-S774 PolarHBondContact O-N 3.42Å; T771-I775 PolarHBondContact O-N 3.39Å
772	N	34.2	Very low	42.2	Very low	86 Å²	86	117.1 Å²	117.1	46%	0.46	57%	0.574	S	S	.	*	H	α-helix	trans	-59.5	-28	-178.1	-117.3	-77.9	0	0	0	113.8	K776	N772-K776 WeakPolarHBondContact O-CB 3.42Å; N772-K776 WeakPolarHBondContact O-CD 3.3Å; N772-K776 VanDerWaalsContact O-CG 3.25Å; N772-K776 WeakPolarHBondContact O-CG 3.39Å; N772-K776 PolarHBondContact O-N 3.34Å; N772-K776 PolarHBondContact OD1-NZ 3.07Å
773	Q	39.4	Very low	44	Very low	133 Å²	133	112.8 Å²	112.8	62%	0.621	56%	0.556	S	S	*	*	H	α-helix	trans	-77.4	-40	-178.7	-143.2	172.5	10.6	0	0	111.8	T771 K776 K777	T771-Q773 PolarHBondContact O-N 2.94Å; Q773-K776 PolarHBondContact O-N 3.25Å; Q773-K777 PolarHBondContact O-N 3.41Å
774	S	42.1	Very low	46.2	Very low	85 Å²	85	110.3 Å²	110.3	59%	0.594	55%	0.549	S	S	*	.	H	α-helix	trans	-66.6	-41.9	175.4	-59.7	0	0	0	0	112.2	T771 K776 K777 K778	T771-S774 PolarHBondContact O-N 3.42Å; S774-K776 PolarHBondContact O-N 2.61Å; S774-K777 PolarHBondContact O-N 3.42Å; S774-K778 WeakPolarHBondContact O-CB 3.41Å; S774-K778 PolarHBondContact O-N 2.85Å
775	I	47.2	Very low	48.3	Very low	95 Å²	95	114.9 Å²	114.9	49%	0.487	55%	0.553	S	S	.	*	H	α-helix	trans	-61.1	-45.8	175	-64.4	167	0	0	0	110.2	T771 K777 K778 N779	T771-I775 PolarHBondContact O-N 3.39Å; I775-K777 VanDerWaalsContact C-N 3.35Å; I775-K777 PolarHBondContact O-N 2.96Å; I775-K778 PolarHBondContact O-N 2.99Å; I775-N779 PolarHBondContact O-N 3.4Å; I775-N779 PolarHBondContact O-OD1 2.98Å
776	K	49.1	Very low	50.3	Low	131 Å²	131	114.8 Å²	114.8	57%	0.57	55%	0.553	S	S	*	*	H	α-helix	trans	-61.6	-38.8	176.2	-75.1	170	-174.3	171.4	0	112.8	N772 Q773 S774 L780	N772-K776 WeakPolarHBondContact O-CB 3.42Å; N772-K776 WeakPolarHBondContact O-CD 3.3Å; N772-K776 VanDerWaalsContact O-CG 3.25Å; N772-K776 WeakPolarHBondContact O-CG 3.39Å; N772-K776 PolarHBondContact O-N 3.34Å; N772-K776 PolarHBondContact OD1-NZ 3.07Å; Q773-K776 PolarHBondContact O-N 3.25Å; S774-K776 PolarHBondContact O-N 2.61Å; K776-L780 VanDerWaalsContact O-CB 3.23Å; K776-L780 WeakPolarHBondContact O-CB 3.5Å; K776-L780 PolarHBondContact O-N 2.77Å
777	K	58.8	Low	52.4	Low	81 Å²	81	113.3 Å²	113.3	35%	0.352	54%	0.54	S	S	.	.	H	α-helix	trans	-66.8	-43	174.5	-166	-177.2	175.5	-170.5	0	111.6	N196 Q773 S774 I775 L780 E781	N196-K777 PolarHBondContact OD1-NZ 2.99Å; Q773-K777 PolarHBondContact O-N 3.41Å; S774-K777 PolarHBondContact O-N 3.42Å; I775-K777 VanDerWaalsContact C-N 3.35Å; I775-K777 PolarHBondContact O-N 2.96Å; K777-L780 PolarHBondContact O-N 3.24Å; K777-E781 VanDerWaalsContact CE-OE1 3.31Å; K777-E781 WeakPolarHBondContact CE-OE1 3.42Å; K777-E781 PolarHBondContact O-N 3.41Å
778	K	59.2	Low	54.2	Low	152 Å²	152	111.7 Å²	111.7	66%	0.661	54%	0.539	S	S	*	.	H	α-helix	trans	-64.8	-44.8	-179.4	-148.8	177.5	-171.2	-175.5	0	112.1	S774 I775 E781 Q782	S774-K778 WeakPolarHBondContact O-CB 3.41Å; S774-K778 PolarHBondContact O-N 2.85Å; I775-K778 PolarHBondContact O-N 2.99Å; K778-E781 PolarHBondContact O-N 3.42Å; K778-Q782 PolarHBondContact O-N 3.35Å
779	N	62	Low	56.1	Low	93 Å²	93	107.9 Å²	107.9	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-67.9	-36.3	176.7	-66.3	17.5	0	0	0	111.6	I775 Q782 L783	I775-N779 PolarHBondContact O-N 3.4Å; I775-N779 PolarHBondContact O-OD1 2.98Å; N779-Q782 PolarHBondContact O-N 3.14Å; N779-L783 WeakPolarHBondContact O-CB 3.41Å; N779-L783 PolarHBondContact O-N 2.9Å
780	L	62.8	Low	57.4	Low	97 Å²	97	108.4 Å²	108.4	51%	0.508	52%	0.523	S	S	.	.	H	α-helix	trans	-67.2	-37.7	174.1	-176.6	62.7	0	0	0	112.2	K776 K777 K784	K776-L780 VanDerWaalsContact O-CB 3.23Å; K776-L780 WeakPolarHBondContact O-CB 3.5Å; K776-L780 PolarHBondContact O-N 2.77Å; K777-L780 PolarHBondContact O-N 3.24Å; L780-K784 WeakPolarHBondContact O-CB 3.33Å; L780-K784 WeakPolarHBondContact O-CG 2.79Å; L780-K784 PolarHBondContact O-N 3.3Å
781	E	68.4	Low	58.6	Low	81 Å²	81	105.9 Å²	105.9	38%	0.379	51%	0.513	S	S	.	.	H	α-helix	trans	-68.8	-38.9	173.2	-82.5	-173.2	-146.4	0	0	112.7	K777 K778 K784 R785	K777-E781 VanDerWaalsContact CE-OE1 3.31Å; K777-E781 WeakPolarHBondContact CE-OE1 3.42Å; K777-E781 PolarHBondContact O-N 3.41Å; K778-E781 PolarHBondContact O-N 3.42Å; E781-K784 PolarHBondContact O-N 3.1Å; E781-R785 WeakPolarHBondContact O-CG 3.15Å; E781-R785 PolarHBondContact O-N 2.9Å
782	Q	68.4	Low	59.4	Low	115 Å²	115	106.4 Å²	106.4	54%	0.537	51%	0.51	S	S	.	.	H	α-helix	trans	-61.6	-45.8	171.9	-77.3	-177.5	-24.9	0	0	111.6	K778 N779 K784 R785 L786	K778-Q782 PolarHBondContact O-N 3.35Å; N779-Q782 PolarHBondContact O-N 3.14Å; Q782-K784 VanDerWaalsContact C-N 3.32Å; Q782-K784 PolarHBondContact O-N 3.21Å; Q782-R785 PolarHBondContact O-N 3.4Å; Q782-L786 WeakPolarHBondContact O-CB 3.42Å; Q782-L786 WeakPolarHBondContact O-CG 3.45Å; Q782-L786 PolarHBondContact O-N 3.42Å
783	L	67	Low	60.1	Low	65 Å²	65	110.1 Å²	110.1	34%	0.34	52%	0.518	S	S	.	.	H	α-helix	trans	-63.4	-36.4	176.7	-173.3	63.7	0	0	0	112.3	N779 K787 I827	N779-L783 WeakPolarHBondContact O-CB 3.41Å; N779-L783 PolarHBondContact O-N 2.9Å; L783-K787 PolarHBondContact O-N 3.31Å; L783-I827 HydrophobicContact CD1-CD1 4.37Å
784	K	70.6	Confident	60.6	Low	118 Å²	118	107.1 Å²	107.1	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-63.5	-48.5	171.3	-79.9	-173.9	172.3	-158.9	0	111.9	L780 E781 Q782 L786 K787 T788	L780-K784 WeakPolarHBondContact O-CB 3.33Å; L780-K784 WeakPolarHBondContact O-CG 2.79Å; L780-K784 PolarHBondContact O-N 3.3Å; E781-K784 PolarHBondContact O-N 3.1Å; Q782-K784 VanDerWaalsContact C-N 3.32Å; Q782-K784 PolarHBondContact O-N 3.21Å; K784-L786 VanDerWaalsContact C-N 3.34Å; K784-L786 PolarHBondContact O-N 3.36Å; K784-K787 PolarHBondContact O-N 2.89Å; K784-T788 PolarHBondContact O-N 3.44Å; K784-T788 PolarHBondContact O-OG1 2.9Å
785	R	72.7	Confident	60.7	Low	179 Å²	179	108.3 Å²	108.3	68%	0.675	50%	0.502	S	S	*	.	H	α-helix	trans	-59.9	-42.3	177.8	-71.4	176.4	-167.9	-146.1	3.7	111.9	E781 Q782 T788 S789	E781-R785 WeakPolarHBondContact O-CG 3.15Å; E781-R785 PolarHBondContact O-N 2.9Å; Q782-R785 PolarHBondContact O-N 3.4Å; R785-T788 PolarHBondContact O-N 3.36Å; R785-S789 WeakPolarHBondContact O-CB 3.39Å; R785-S789 PolarHBondContact O-N 3.45Å
786	L	70.9	Confident	60.6	Low	120 Å²	120	106 Å²	106	63%	0.628	49%	0.491	S	S	*	.	H	α-helix	trans	-63.2	-45.3	175.2	-73	167.5	0	0	0	111.7	Q782 K784 S789 Y790	Q782-L786 WeakPolarHBondContact O-CB 3.42Å; Q782-L786 WeakPolarHBondContact O-CG 3.45Å; Q782-L786 PolarHBondContact O-N 3.42Å; K784-L786 VanDerWaalsContact C-N 3.34Å; K784-L786 PolarHBondContact O-N 3.36Å; L786-S789 PolarHBondContact O-N 2.88Å; L786-Y790 PolarHBondContact O-N 3.25Å
787	K	70.8	Confident	60.3	Low	121 Å²	121	106.1 Å²	106.1	53%	0.526	50%	0.496	S	S	.	.	H	α-helix	trans	-60	-47.9	173.6	-92.8	-156.3	163.7	-143.7	0	112.7	L783 K784 S789 Y790 Y791	L783-K787 PolarHBondContact O-N 3.31Å; K784-K787 PolarHBondContact O-N 2.89Å; K787-S789 VanDerWaalsContact C-N 3.3Å; K787-S789 PolarHBondContact O-N 2.94Å; K787-Y790 WeakPolarHBondContact O-CB 3.38Å; K787-Y790 PolarHBondContact O-N 3.45Å; K787-Y790 VanDerWaalsContact O-N 3.14Å; K787-Y791 HydrophobicContact CD-CE2 4.41Å; K787-Y791 WeakPolarHBondContact O-CD2 3.42Å; K787-Y791 PolarHBondContact O-N 3.3Å; K787-Y791 VanDerWaalsContact O-N 3.11Å
788	T	67.7	Low	59.2	Low	96 Å²	96	111.4 Å²	111.4	59%	0.589	52%	0.522	S	S	*	.	H	α-helix	trans	-61	-40.5	177.1	-57.2	0	0	0	0	111.2	K784 R785 Y790 H792	K784-T788 PolarHBondContact O-N 3.44Å; K784-T788 PolarHBondContact O-OG1 2.9Å; R785-T788 PolarHBondContact O-N 3.36Å; T788-Y790 VanDerWaalsContact C-N 3.27Å; T788-Y790 PolarHBondContact O-N 3.27Å; T788-H792 VanDerWaalsContact O-CB 3.31Å; T788-H792 WeakPolarHBondContact O-CB 3.33Å; T788-H792 PolarHBondContact O-N 3.46Å
789	S	68.6	Low	58	Low	65 Å²	65	106.1 Å²	106.1	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-66.8	-24.4	176	-172.1	0	0	0	0	114.1	R785 L786 K787 R793	R785-S789 WeakPolarHBondContact O-CB 3.39Å; R785-S789 PolarHBondContact O-N 3.45Å; L786-S789 PolarHBondContact O-N 2.88Å; K787-S789 VanDerWaalsContact C-N 3.3Å; K787-S789 PolarHBondContact O-N 2.94Å; S789-R793 VanDerWaalsContact O-CB 3.3Å; S789-R793 WeakPolarHBondContact O-CB 3.42Å; S789-R793 PolarHBondContact O-N 3.19Å
790	Y	58.9	Low	56.8	Low	113 Å²	113	109.5 Å²	109.5	44%	0.443	52%	0.524	S	S	.	.	H	α-helix	trans	-75.4	-55.7	174.3	178.4	-91.5	0	0	0	110.4	L786 K787 T788 H792 R793 N794	L786-Y790 PolarHBondContact O-N 3.25Å; K787-Y790 WeakPolarHBondContact O-CB 3.38Å; K787-Y790 PolarHBondContact O-N 3.45Å; K787-Y790 VanDerWaalsContact O-N 3.14Å; T788-Y790 VanDerWaalsContact C-N 3.27Å; T788-Y790 PolarHBondContact O-N 3.27Å; Y790-H792 PolarHBondContact O-N 3.07Å; Y790-R793 PolarHBondContact O-N 3.49Å; Y790-R793 VanDerWaalsContact O-N 3.13Å; Y790-N794 PolarHBondContact O-N 2.69Å; Y790-N794 PolarHBondContact O-OD1 3.12Å
791	Y	52.7	Low	55.5	Low	123 Å²	123	114.2 Å²	114.2	48%	0.482	54%	0.544	S	S	.	.	H	α-helix	trans	-57.9	-47.5	178.4	-69.3	-69.7	0	0	0	111.6	K787 R793 N794 E795	K787-Y791 HydrophobicContact CD-CE2 4.41Å; K787-Y791 WeakPolarHBondContact O-CD2 3.42Å; K787-Y791 PolarHBondContact O-N 3.3Å; K787-Y791 VanDerWaalsContact O-N 3.11Å; Y791-R793 PolarHBondContact O-N 2.86Å; Y791-R793 VanDerWaalsContact O-N 3.16Å; Y791-N794 PolarHBondContact O-N 2.88Å; Y791-E795 WeakPolarHBondContact O-CB 3.46Å; Y791-E795 VanDerWaalsContact O-CG 3.29Å; Y791-E795 WeakPolarHBondContact O-CG 3.33Å; Y791-E795 PolarHBondContact O-N 3.27Å
792	H	56.1	Low	53.8	Low	86 Å²	86	119.5 Å²	119.5	40%	0.398	57%	0.568	S	S	.	*	H	α-helix	trans	-71.3	-11.6	-178	-135.1	49.7	0	0	0	114.5	M1 T788 Y790 E795	M1-H792 WeakPolarHBondContact CB-O 3.42Å; M1-H792 PolarHBondContact N-CE1 3.31Å; M1-H792 PolarHBondContact N-NE2 3Å; M1-H792 PolarHBondContact O-CE1 2.68Å; M1-H792 PolarHBondContact O-ND1 3.17Å; T788-H792 VanDerWaalsContact O-CB 3.31Å; T788-H792 WeakPolarHBondContact O-CB 3.33Å; T788-H792 PolarHBondContact O-N 3.46Å; Y790-H792 PolarHBondContact O-N 3.07Å; H792-E795 WeakPolarHBondContact CA-OE2 3.31Å; H792-E795 IonicContact CE1-OE2 2.71Å; H792-E795 IonicContact CG-OE2 2.63Å; H792-E795 IonicContact ND1-OE2 3.63Å; H792-E795 PolarHBondContact ND1-OE2 2.71Å
793	R	49	Very low	52.2	Low	164 Å²	164	121.6 Å²	121.6	62%	0.619	58%	0.578	S	S	*	*	H	α-helix	trans	-85.3	-34.2	169.9	-179.6	174	-72.8	173.8	-4.8	111.5	S789 Y790 Y791	S789-R793 VanDerWaalsContact O-CB 3.3Å; S789-R793 WeakPolarHBondContact O-CB 3.42Å; S789-R793 PolarHBondContact O-N 3.19Å; Y790-R793 PolarHBondContact O-N 3.49Å; Y790-R793 VanDerWaalsContact O-N 3.13Å; Y791-R793 PolarHBondContact O-N 2.86Å; Y791-R793 VanDerWaalsContact O-N 3.16Å
794	N	49	Very low	50.5	Low	70 Å²	70	126.8 Å²	126.8	37%	0.374	60%	0.6	S	S	.	*	H	α-helix	trans	-82.8	-33.4	-179.3	-64.8	22.3	0	0	0	112	Y790 Y791 N796 I797	Y790-N794 PolarHBondContact O-N 2.69Å; Y790-N794 PolarHBondContact O-OD1 3.12Å; Y791-N794 PolarHBondContact O-N 2.88Å; N794-N796 PolarHBondContact O-N 2.95Å; N794-I797 PolarHBondContact O-N 2.87Å
795	E	45.8	Very low	48.8	Very low	110 Å²	110	124.9 Å²	124.9	51%	0.514	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.9	7.7	172.6	-74	174.1	147.8	0	0	114.8	Y791 H792	Y791-E795 WeakPolarHBondContact O-CB 3.46Å; Y791-E795 VanDerWaalsContact O-CG 3.29Å; Y791-E795 WeakPolarHBondContact O-CG 3.33Å; Y791-E795 PolarHBondContact O-N 3.27Å; H792-E795 WeakPolarHBondContact CA-OE2 3.31Å; H792-E795 IonicContact CE1-OE2 2.71Å; H792-E795 IonicContact CG-OE2 2.63Å; H792-E795 IonicContact ND1-OE2 3.63Å; H792-E795 PolarHBondContact ND1-OE2 2.71Å
796	N	44.9	Very low	46.8	Very low	46 Å²	46	125.7 Å²	125.7	25%	0.246	63%	0.626	C	S	.	*	T	Hydrogen-bonded Turn	trans	-127	6	-175.5	-144.5	86.5	0	0	0	114.6	M1 K2 N794	M1-N796 VanDerWaalsContact CA-OD1 3.24Å; M1-N796 WeakPolarHBondContact CA-OD1 3.32Å; M1-N796 HydrophobicContact CB-CB 3.88Å; M1-N796 WeakPolarHBondContact CB-OD1 3.4Å; M1-N796 HydrophobicContact CE-CB 4.22Å; M1-N796 HydrophobicContact CG-CB 4.03Å; M1-N796 WeakPolarHBondContact CG-OD1 3.46Å; M1-N796 HydrophobicContact SD-CB 3.83Å; K2-N796 WeakPolarHBondContact CB-OD1 3.47Å; K2-N796 WeakPolarHBondContact CG-OD1 3.17Å; N794-N796 PolarHBondContact O-N 2.95Å
797	I	42.5	Very low	45.2	Very low	133 Å²	133	128.2 Å²	128.2	68%	0.682	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.4	-24.7	-179.6	-61.1	176.7	0	0	0	111.7	N794 G799	N794-I797 PolarHBondContact O-N 2.87Å; I797-G799 PolarHBondContact O-N 3.45Å
798	E	35.1	Very low	43.3	Very low	192 Å²	192	131.8 Å²	131.8	90%	0.897	66%	0.659	S	S	*	*	S	Bend	trans	-76.4	62.3	-179.7	-62.1	-177.3	171.2	0	0	113.1
799	G	33.8	Very low	41.8	Very low	42 Å²	42	136.8 Å²	136.8	43%	0.433	68%	0.675	S	S	.	*	S	Bend	trans	161.8	75.6	170.9	0	0	0	0	0	114.6	K2 I797	K2-G799 PolarHBondContact NZ-O 3.05Å; I797-G799 PolarHBondContact O-N 3.45Å
800	E	37.8	Very low	40	Very low	163 Å²	163	143.4 Å²	143.4	76%	0.762	70%	0.699	S	S	*	*			trans	-165.4	163.8	151.3	-95	137.2	-109.3	0	0	106.6	K2	K2-E800 IonicContact NZ-OE1 2.79Å; K2-E800 PolarHBondContact NZ-OE1 3.47Å
801	E	35.3	Very low	38.7	Very low	197 Å²	197	141.5 Å²	141.5	92%	0.921	71%	0.714	S	S	*	*			trans	68.5	75.9	174.3	-61.9	178.1	-178.4	0	0	118.6
802	E	32.1	Very low	37.9	Very low	192 Å²	192	144.9 Å²	144.9	90%	0.897	73%	0.734	S	S	*	*			trans	-79.5	118.4	139.5	-69.5	-177.4	152.2	0	0	108.7
803	Q	34.2	Very low	36.8	Very low	158 Å²	158	144.7 Å²	144.7	74%	0.738	76%	0.755	S	S	*	*			trans	165.6	135	135.7	-94.8	-178	-82.5	0	0	112.9
804	E	32	Very low	36.4	Very low	174 Å²	174	143.3 Å²	143.3	81%	0.813	76%	0.76	S	S	*	*			trans	58.1	135.9	145	-64.7	171.3	-149	0	0	121.1
805	G	34.6	Very low	36.4	Very low	79 Å²	79	148.3 Å²	148.3	81%	0.814	78%	0.781	S	S	*	*			trans	116	98.7	160.2	0	0	0	0	0	115.2
806	E	30.8	Very low	36.5	Very low	195 Å²	195	149.4 Å²	149.4	91%	0.911	78%	0.784	S	S	*	*			trans	-80.4	122.2	153.2	-62.9	172.2	146.2	0	0	107.6
807	D	37	Very low	36.9	Very low	174 Å²	174	151.2 Å²	151.2	93%	0.93	79%	0.794	S	S	*	*			trans	-166.7	141.8	151.3	-99.2	-32.7	0	0	0	109
808	E	32.5	Very low	37.4	Very low	195 Å²	195	152.7 Å²	152.7	91%	0.911	79%	0.792	S	S	*	*			trans	-96.9	128.2	-174.7	-59.6	177.3	143.7	0	0	111.6
809	E	35.1	Very low	38.7	Very low	201 Å²	201	148 Å²	148	94%	0.939	77%	0.77	S	S	*	*			trans	-149.8	132.2	158.7	-126.3	173.7	-150.3	0	0	112
810	E	31.4	Very low	40.3	Very low	205 Å²	205	149 Å²	149	96%	0.958	77%	0.765	S	S	*	*			trans	-84.4	135.6	-176.6	-59.5	-176.5	130.8	0	0	111.9
811	G	32.2	Very low	41.8	Very low	72 Å²	72	145.3 Å²	145.3	74%	0.742	75%	0.749	S	S	*	*			trans	-160.6	115.4	179.2	0	0	0	0	0	116.6
812	E	35.6	Very low	43.4	Very low	195 Å²	195	141.4 Å²	141.4	91%	0.911	73%	0.731	S	S	*	*			trans	43.7	86.3	156	-55.9	-163.4	153.1	0	0	118.7
813	G	32.3	Very low	45.4	Very low	81 Å²	81	137.1 Å²	137.1	84%	0.835	71%	0.71	S	S	*	*			trans	-69.7	139	170.4	0	0	0	0	0	114.1	E815	G813-E815 PolarHBondContact O-N 3.39Å
814	N	39.8	Very low	47.1	Very low	135 Å²	135	132.6 Å²	132.6	72%	0.722	69%	0.693	S	S	*	*			trans	-72.7	114.4	-176.7	-78.9	-79.9	0	0	0	113.2	F816 D817	N814-F816 PolarHBondContact O-N 3.37Å; N814-D817 PolarHBondContact O-N 2.94Å
815	E	48.9	Very low	49	Very low	176 Å²	176	129.3 Å²	129.3	82%	0.822	68%	0.678	S	S	*	*	H	α-helix	trans	-51.1	-27.5	177	-172.2	178.8	-176	0	0	114.1	G813 D817 Y818	G813-E815 PolarHBondContact O-N 3.39Å; E815-D817 PolarHBondContact O-N 3.13Å; E815-Y818 PolarHBondContact O-N 2.92Å
816	F	49.1	Very low	50.6	Low	133 Å²	133	128.4 Å²	128.4	58%	0.583	66%	0.658	S	S	*	*	H	α-helix	trans	-64	-36.9	-172.1	-155	-102.9	0	0	0	114.4	N814 E819 I820	N814-F816 PolarHBondContact O-N 3.37Å; F816-E819 PolarHBondContact O-N 3.04Å; F816-I820 HydrophobicContact CD1-CD1 3.83Å; F816-I820 HydrophobicContact CE1-CD1 3.89Å; F816-I820 PolarHBondContact O-N 3.21Å
817	D	53.6	Low	52.6	Low	84 Å²	84	122.3 Å²	122.3	45%	0.449	63%	0.632	S	S	.	*	H	α-helix	trans	-72.6	-31.6	-177.8	-74	-47	0	0	0	112.2	N814 E815 E819 I820 I821	N814-D817 PolarHBondContact O-N 2.94Å; E815-D817 PolarHBondContact O-N 3.13Å; D817-E819 VanDerWaalsContact C-N 3.3Å; D817-E819 PolarHBondContact O-N 3.39Å; D817-I820 PolarHBondContact O-N 3.29Å; D817-I821 VanDerWaalsContact O-CG1 3.3Å; D817-I821 WeakPolarHBondContact O-CG1 3.29Å; D817-I821 PolarHBondContact O-N 2.97Å
818	Y	51.5	Low	54	Low	163 Å²	163	119.6 Å²	119.6	64%	0.639	61%	0.613	S	S	*	*	H	α-helix	trans	-64.8	-36.7	177.2	-145.1	-85.8	0	0	0	111.5	E815 I821 Q822	E815-Y818 PolarHBondContact O-N 2.92Å; Y818-I821 PolarHBondContact O-N 3.48Å; Y818-Q822 HydrophobicContact CD1-CG 4.29Å; Y818-Q822 HydrophobicContact CE1-CG 4.43Å; Y818-Q822 WeakPolarHBondContact O-CG 3.23Å; Y818-Q822 PolarHBondContact O-N 3.15Å
819	E	62.2	Low	55.6	Low	95 Å²	95	116 Å²	116	44%	0.444	60%	0.596	S	S	.	*	H	α-helix	trans	-69	-37.6	175.5	-151.2	-149.7	-171.8	0	0	112.1	F816 D817 Q822 K823	F816-E819 PolarHBondContact O-N 3.04Å; D817-E819 VanDerWaalsContact C-N 3.3Å; D817-E819 PolarHBondContact O-N 3.39Å; E819-Q822 PolarHBondContact O-N 2.91Å; E819-K823 HydrophobicContact CG-CD 4.4Å; E819-K823 WeakPolarHBondContact O-CB 3.41Å; E819-K823 VanDerWaalsContact O-CG 3.29Å; E819-K823 WeakPolarHBondContact O-CG 3.28Å; E819-K823 PolarHBondContact O-N 3.13Å; E819-K823 WeakPolarHBondContact OE1-CE 3.48Å; E819-K823 IonicContact OE1-NZ 2.65Å; E819-K823 PolarHBondContact OE1-NZ 3.08Å; E819-K823 WeakPolarHBondContact OE2-CE 3.5Å; E819-K823 IonicContact OE2-NZ 3.51Å; E819-K823 PolarHBondContact OE2-NZ 3.28Å
820	I	69.3	Low	56.8	Low	62 Å²	62	113 Å²	113	32%	0.318	58%	0.578	S	S	.	*	H	α-helix	trans	-64.9	-40.8	174.2	-66.9	172.7	0	0	0	110.8	F816 D817 T824	F816-I820 HydrophobicContact CD1-CD1 3.83Å; F816-I820 HydrophobicContact CE1-CD1 3.89Å; F816-I820 PolarHBondContact O-N 3.21Å; D817-I820 PolarHBondContact O-N 3.29Å; I820-T824 VanDerWaalsContact O-CB 3.29Å; I820-T824 WeakPolarHBondContact O-CB 3.26Å; I820-T824 PolarHBondContact O-N 3.42Å; I820-T824 PolarHBondContact O-OG1 3.18Å
821	I	69.4	Low	58.6	Low	85 Å²	85	108 Å²	108	44%	0.436	55%	0.554	S	S	.	*	H	α-helix	trans	-63.1	-49.7	175.9	-69.6	164.9	0	0	0	110.4	D817 Y818 K823 T824 Q825	D817-I821 VanDerWaalsContact O-CG1 3.3Å; D817-I821 WeakPolarHBondContact O-CG1 3.29Å; D817-I821 PolarHBondContact O-N 2.97Å; Y818-I821 PolarHBondContact O-N 3.48Å; I821-K823 PolarHBondContact O-N 3.45Å; I821-T824 PolarHBondContact O-N 3.13Å; I821-T824 VanDerWaalsContact O-N 3.14Å; I821-Q825 HydrophobicContact CG2-CG 4.41Å; I821-Q825 WeakPolarHBondContact O-CG 3.33Å; I821-Q825 PolarHBondContact O-N 3.06Å
822	Q	68.6	Low	60.3	Low	115 Å²	115	108.9 Å²	108.9	54%	0.537	55%	0.545	S	S	.	.	H	α-helix	trans	-62.4	-41.6	177.7	-72.1	-167.3	36.5	0	0	113.1	Y818 E819 T824 Q825 S826	Y818-Q822 HydrophobicContact CD1-CG 4.29Å; Y818-Q822 HydrophobicContact CE1-CG 4.43Å; Y818-Q822 WeakPolarHBondContact O-CG 3.23Å; Y818-Q822 PolarHBondContact O-N 3.15Å; E819-Q822 PolarHBondContact O-N 2.91Å; Q822-T824 VanDerWaalsContact C-N 3.3Å; Q822-T824 PolarHBondContact O-N 3.04Å; Q822-Q825 PolarHBondContact O-N 3.35Å; Q822-S826 WeakPolarHBondContact O-CB 3.4Å; Q822-S826 PolarHBondContact O-N 2.87Å; Q822-S826 PolarHBondContact O-OG 3.35Å
823	K	73	Confident	61.6	Low	103 Å²	103	105 Å²	105	45%	0.448	53%	0.527	S	S	.	.	H	α-helix	trans	-62.8	-36.7	173.6	-75.1	170.9	-179.9	171.6	0	111.8	E819 I821 S826 I827	E819-K823 HydrophobicContact CG-CD 4.4Å; E819-K823 WeakPolarHBondContact O-CB 3.41Å; E819-K823 VanDerWaalsContact O-CG 3.29Å; E819-K823 WeakPolarHBondContact O-CG 3.28Å; E819-K823 PolarHBondContact O-N 3.13Å; E819-K823 WeakPolarHBondContact OE1-CE 3.48Å; E819-K823 IonicContact OE1-NZ 2.65Å; E819-K823 PolarHBondContact OE1-NZ 3.08Å; E819-K823 WeakPolarHBondContact OE2-CE 3.5Å; E819-K823 IonicContact OE2-NZ 3.51Å; E819-K823 PolarHBondContact OE2-NZ 3.28Å; I821-K823 PolarHBondContact O-N 3.45Å; K823-S826 WeakPolarHBondContact CA-OG 3.32Å; K823-S826 PolarHBondContact O-OG 2.84Å; K823-S826 VanDerWaalsContact O-OG 3.1Å; K823-I827 WeakPolarHBondContact O-CB 3.33Å; K823-I827 WeakPolarHBondContact O-CD1 3.26Å; K823-I827 WeakPolarHBondContact O-CG1 3.35Å; K823-I827 PolarHBondContact O-N 3.14Å; K823-I827 VanDerWaalsContact O-N 3.16Å
824	T	70.1	Confident	62.9	Low	63 Å²	63	104.8 Å²	104.8	39%	0.387	51%	0.505	S	S	.	.	H	α-helix	trans	-70.2	-44.9	176.5	-60.7	0	0	0	0	111.9	I820 I821 Q822 I827 Q828	I820-T824 VanDerWaalsContact O-CB 3.29Å; I820-T824 WeakPolarHBondContact O-CB 3.26Å; I820-T824 PolarHBondContact O-N 3.42Å; I820-T824 PolarHBondContact O-OG1 3.18Å; I821-T824 PolarHBondContact O-N 3.13Å; I821-T824 VanDerWaalsContact O-N 3.14Å; Q822-T824 VanDerWaalsContact C-N 3.3Å; Q822-T824 PolarHBondContact O-N 3.04Å; T824-I827 PolarHBondContact O-N 3.42Å; T824-Q828 WeakPolarHBondContact O-CG 3.22Å; T824-Q828 PolarHBondContact O-N 3.29Å
825	Q	72.2	Confident	63.6	Low	105 Å²	105	105 Å²	105	49%	0.491	50%	0.499	S	S	.	.	H	α-helix	trans	-63.2	-46.2	178.1	-71.3	-179.7	10.1	0	0	112.1	I821 Q822 I827 Q828 Q829	I821-Q825 HydrophobicContact CG2-CG 4.41Å; I821-Q825 WeakPolarHBondContact O-CG 3.33Å; I821-Q825 PolarHBondContact O-N 3.06Å; Q822-Q825 PolarHBondContact O-N 3.35Å; Q825-I827 PolarHBondContact O-N 3.45Å; Q825-Q828 WeakPolarHBondContact O-CB 3.35Å; Q825-Q828 PolarHBondContact O-N 3.04Å; Q825-Q828 VanDerWaalsContact O-N 3.12Å; Q825-Q829 WeakPolarHBondContact O-CG 3.32Å; Q825-Q829 PolarHBondContact O-N 3.29Å
826	S	69	Low	63.6	Low	59 Å²	59	100.3 Å²	100.3	41%	0.413	49%	0.486	S	S	.	.	H	α-helix	trans	-63.5	-38.1	177.4	53.4	0	0	0	0	112.7	Q822 K823 Q829 Y830	Q822-S826 WeakPolarHBondContact O-CB 3.4Å; Q822-S826 PolarHBondContact O-N 2.87Å; Q822-S826 PolarHBondContact O-OG 3.35Å; K823-S826 WeakPolarHBondContact CA-OG 3.32Å; K823-S826 PolarHBondContact O-OG 2.84Å; K823-S826 VanDerWaalsContact O-OG 3.1Å; S826-Q829 PolarHBondContact O-N 3.29Å; S826-Y830 WeakPolarHBondContact O-CB 3.45Å; S826-Y830 PolarHBondContact O-N 3.24Å
827	I	71.9	Confident	63.7	Low	68 Å²	68	100.6 Å²	100.6	35%	0.349	49%	0.489	S	S	.	.	H	α-helix	trans	-63	-40.1	171.4	-72.8	169	0	0	0	111.5	L783 K823 T824 Q825 Q831	L783-I827 HydrophobicContact CD1-CD1 4.37Å; K823-I827 WeakPolarHBondContact O-CB 3.33Å; K823-I827 WeakPolarHBondContact O-CD1 3.26Å; K823-I827 WeakPolarHBondContact O-CG1 3.35Å; K823-I827 PolarHBondContact O-N 3.14Å; K823-I827 VanDerWaalsContact O-N 3.16Å; T824-I827 PolarHBondContact O-N 3.42Å; Q825-I827 PolarHBondContact O-N 3.45Å; I827-Q831 WeakPolarHBondContact O-CG 3.5Å; I827-Q831 PolarHBondContact O-N 2.99Å
828	Q	65.9	Low	63.2	Low	117 Å²	117	105.7 Å²	105.7	55%	0.547	50%	0.502	S	S	.	.	H	α-helix	trans	-66	-45.1	175.2	-71.1	-177.1	29	0	0	111.9	T824 Q825 Y830 Q831 T832	T824-Q828 WeakPolarHBondContact O-CG 3.22Å; T824-Q828 PolarHBondContact O-N 3.29Å; Q825-Q828 WeakPolarHBondContact O-CB 3.35Å; Q825-Q828 PolarHBondContact O-N 3.04Å; Q825-Q828 VanDerWaalsContact O-N 3.12Å; Q828-Y830 PolarHBondContact O-N 3.41Å; Q828-Q831 PolarHBondContact O-N 3.17Å; Q828-T832 PolarHBondContact O-N 3.43Å; Q828-T832 PolarHBondContact O-OG1 3.18Å
829	Q	66.8	Low	62.7	Low	119 Å²	119	103 Å²	103	56%	0.556	50%	0.503	S	S	*	.	H	α-helix	trans	-58.5	-45.8	175.7	-71.3	177.6	4.7	0	0	111.5	Q825 S826 Q831 T832 Q833	Q825-Q829 WeakPolarHBondContact O-CG 3.32Å; Q825-Q829 PolarHBondContact O-N 3.29Å; S826-Q829 PolarHBondContact O-N 3.29Å; Q829-Q831 PolarHBondContact O-N 3.29Å; Q829-T832 PolarHBondContact O-N 3.33Å; Q829-T832 VanDerWaalsContact O-N 3.13Å; Q829-Q833 WeakPolarHBondContact O-CG 3.46Å; Q829-Q833 PolarHBondContact O-N 3.11Å
830	Y	60.4	Low	61.4	Low	139 Å²	139	102.2 Å²	102.2	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-40.1	176.2	-174.8	-103.6	0	0	0	112.3	S826 Q828 T832 Q833 M834	S826-Y830 WeakPolarHBondContact O-CB 3.45Å; S826-Y830 PolarHBondContact O-N 3.24Å; Q828-Y830 PolarHBondContact O-N 3.41Å; Y830-T832 VanDerWaalsContact C-N 3.35Å; Y830-T832 PolarHBondContact O-N 2.97Å; Y830-Q833 PolarHBondContact O-N 3.33Å; Y830-M834 HydrophobicContact CD1-CG 4.34Å; Y830-M834 HydrophobicContact CE1-CG 4.13Å; Y830-M834 HydrophobicContact CE2-CE 3.9Å; Y830-M834 VanDerWaalsContact O-CB 3.3Å; Y830-M834 WeakPolarHBondContact O-CB 3.39Å; Y830-M834 VanDerWaalsContact O-CG 3.24Å; Y830-M834 WeakPolarHBondContact O-CG 3.39Å; Y830-M834 PolarHBondContact O-N 2.91Å
831	Q	68.4	Low	60	Low	99 Å²	99	106.4 Å²	106.4	46%	0.463	52%	0.521	S	S	.	.	H	α-helix	trans	-64.2	-37.2	172.8	-74.4	-178.1	46.8	0	0	112.7	I827 Q828 Q829 M834 K835	I827-Q831 WeakPolarHBondContact O-CG 3.5Å; I827-Q831 PolarHBondContact O-N 2.99Å; Q828-Q831 PolarHBondContact O-N 3.17Å; Q829-Q831 PolarHBondContact O-N 3.29Å; Q831-M834 PolarHBondContact O-N 2.89Å; Q831-K835 WeakPolarHBondContact O-CB 3.41Å; Q831-K835 VanDerWaalsContact O-CG 3.31Å; Q831-K835 WeakPolarHBondContact O-CG 3.21Å; Q831-K835 PolarHBondContact O-N 3.08Å
832	T	67.4	Low	58.4	Low	90 Å²	90	108.2 Å²	108.2	55%	0.552	54%	0.541	S	S	*	.	H	α-helix	trans	-69	-44	176.6	-66	0	0	0	0	111.7	Q828 Q829 Y830 M834 K835 S836	Q828-T832 PolarHBondContact O-N 3.43Å; Q828-T832 PolarHBondContact O-OG1 3.18Å; Q829-T832 PolarHBondContact O-N 3.33Å; Q829-T832 VanDerWaalsContact O-N 3.13Å; Y830-T832 VanDerWaalsContact C-N 3.35Å; Y830-T832 PolarHBondContact O-N 2.97Å; T832-M834 PolarHBondContact O-N 3.48Å; T832-K835 PolarHBondContact O-N 3.31Å; T832-S836 PolarHBondContact O-N 2.92Å
833	Q	63.5	Low	56.8	Low	115 Å²	115	106.6 Å²	106.6	54%	0.537	54%	0.536	S	S	.	.	H	α-helix	trans	-59.6	-44.7	172.2	-68.8	177.9	12.7	0	0	111.4	Q829 Y830 K835 S836 Q837	Q829-Q833 WeakPolarHBondContact O-CG 3.46Å; Q829-Q833 PolarHBondContact O-N 3.11Å; Y830-Q833 PolarHBondContact O-N 3.33Å; Q833-K835 VanDerWaalsContact C-N 3.31Å; Q833-K835 PolarHBondContact O-N 3.15Å; Q833-S836 WeakPolarHBondContact O-CB 3.39Å; Q833-S836 PolarHBondContact O-N 2.91Å; Q833-S836 VanDerWaalsContact O-N 3.14Å; Q833-Q837 PolarHBondContact O-N 3.32Å
834	M	59	Low	55.4	Low	75 Å²	75	106.4 Å²	106.4	37%	0.369	54%	0.54	S	S	.	.	H	α-helix	trans	-69	-23.3	176.8	-73.1	-74.9	155.3	0	0	113.9	Y830 Q831 T832 R838	Y830-M834 HydrophobicContact CD1-CG 4.34Å; Y830-M834 HydrophobicContact CE1-CG 4.13Å; Y830-M834 HydrophobicContact CE2-CE 3.9Å; Y830-M834 VanDerWaalsContact O-CB 3.3Å; Y830-M834 WeakPolarHBondContact O-CB 3.39Å; Y830-M834 VanDerWaalsContact O-CG 3.24Å; Y830-M834 WeakPolarHBondContact O-CG 3.39Å; Y830-M834 PolarHBondContact O-N 2.91Å; Q831-M834 PolarHBondContact O-N 2.89Å; T832-M834 PolarHBondContact O-N 3.48Å; M834-R838 WeakPolarHBondContact O-CG 3.49Å
835	K	55.7	Low	54.2	Low	139 Å²	139	108.8 Å²	108.8	60%	0.604	55%	0.55	S	S	*	.	H	α-helix	trans	-75	-41	167.4	-78	172.4	-178.9	176	0	111.2	Q831 T832 Q833 R838	Q831-K835 WeakPolarHBondContact O-CB 3.41Å; Q831-K835 VanDerWaalsContact O-CG 3.31Å; Q831-K835 WeakPolarHBondContact O-CG 3.21Å; Q831-K835 PolarHBondContact O-N 3.08Å; T832-K835 PolarHBondContact O-N 3.31Å; Q833-K835 VanDerWaalsContact C-N 3.31Å; Q833-K835 PolarHBondContact O-N 3.15Å; K835-R838 WeakPolarHBondContact O-CA 3.36Å; K835-R838 WeakPolarHBondContact O-CB 3.2Å; K835-R838 PolarHBondContact O-N 3.4Å
836	S	49.5	Very low	52.9	Low	78 Å²	78	109.6 Å²	109.6	55%	0.545	55%	0.554	S	S	.	*	H	α-helix	trans	-65	-37.4	177.3	-166.7	0	0	0	0	112.7	T832 Q833 R838 T839	T832-S836 PolarHBondContact O-N 2.92Å; Q833-S836 WeakPolarHBondContact O-CB 3.39Å; Q833-S836 PolarHBondContact O-N 2.91Å; Q833-S836 VanDerWaalsContact O-N 3.14Å; S836-R838 PolarHBondContact O-N 3.2Å; S836-R838 VanDerWaalsContact O-N 3.09Å; S836-T839 PolarHBondContact O-N 2.97Å; S836-T839 VanDerWaalsContact O-N 3.09Å; S836-T839 PolarHBondContact O-OG1 2.98Å
837	Q	51.2	Low	51.6	Low	139 Å²	139	114.6 Å²	114.6	65%	0.65	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-12.7	171	-68.3	-174.9	5.2	0	0	113.7	Q833	Q833-Q837 PolarHBondContact O-N 3.32Å
838	R	42.1	Very low	50.2	Low	191 Å²	191	115.6 Å²	115.6	72%	0.721	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.5	2.3	174.6	-71.1	175.2	165.6	-167.4	-4.1	114	M834 K835 S836 K841	M834-R838 WeakPolarHBondContact O-CG 3.49Å; K835-R838 WeakPolarHBondContact O-CA 3.36Å; K835-R838 WeakPolarHBondContact O-CB 3.2Å; K835-R838 PolarHBondContact O-N 3.4Å; S836-R838 PolarHBondContact O-N 3.2Å; S836-R838 VanDerWaalsContact O-N 3.09Å; R838-K841 WeakPolarHBondContact O-CG 3.44Å
839	T	40.7	Very low	49.2	Very low	106 Å²	106	115.8 Å²	115.8	65%	0.65	57%	0.574	S	S	*	*			trans	-99	20.5	178.3	43.5	0	0	0	0	114.9	S836 K841	S836-T839 PolarHBondContact O-N 2.97Å; S836-T839 VanDerWaalsContact O-N 3.09Å; S836-T839 PolarHBondContact O-OG1 2.98Å; T839-K841 VanDerWaalsContact C-N 3.25Å; T839-K841 PolarHBondContact O-N 3.34Å
840	T	36.3	Very low	48.2	Very low	80 Å²	80	118.8 Å²	118.8	49%	0.491	59%	0.586	S	S	.	*			trans	-89.4	50.2	159	54.9	0	0	0	0	112.1	R847	T840-R847 PolarHBondContact O-NH2 2.95Å; T840-R847 PolarHBondContact OG1-NH2 3.46Å; T840-R847 VanDerWaalsContact OG1-NH2 3.16Å
841	K	38.8	Very low	47.8	Very low	150 Å²	150	114.3 Å²	114.3	65%	0.652	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-86.4	0.9	-176.6	-81.7	-176.5	177.2	179.5	0	115.3	R838 T839 N843 L844	R838-K841 WeakPolarHBondContact O-CG 3.44Å; T839-K841 VanDerWaalsContact C-N 3.25Å; T839-K841 PolarHBondContact O-N 3.34Å; K841-N843 VanDerWaalsContact C-N 3.26Å; K841-N843 PolarHBondContact O-N 3.35Å; K841-L844 HydrophobicContact CB-CD1 4.33Å; K841-L844 HydrophobicContact CD-CD1 4.5Å; K841-L844 HydrophobicContact CG-CD1 3.88Å
842	S	36.7	Very low	47.1	Very low	123 Å²	123	114.5 Å²	114.5	86%	0.86	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-71.7	-10.8	179.1	43.5	0	0	0	0	114.8
843	N	34.3	Very low	47.5	Very low	81 Å²	81	116 Å²	116	43%	0.433	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-141.4	62.4	-178.9	-162.4	-0.3	0	0	0	112.4	K841 Q846	K841-N843 VanDerWaalsContact C-N 3.26Å; K841-N843 PolarHBondContact O-N 3.35Å; N843-Q846 PolarHBondContact ND2-OE1 3Å; N843-Q846 PolarHBondContact OD1-OE1 3.1Å
844	L	44	Very low	48.5	Very low	99 Å²	99	115.2 Å²	115.2	52%	0.518	60%	0.597	S	S	.	*			trans	-94.2	-13.9	-173.6	-104.7	176.2	0	0	0	115.6	K841 Q846	K841-L844 HydrophobicContact CB-CD1 4.33Å; K841-L844 HydrophobicContact CD-CD1 4.5Å; K841-L844 HydrophobicContact CG-CD1 3.88Å; L844-Q846 VanDerWaalsContact C-N 3.32Å
845	D	44.5	Very low	50	Low	112 Å²	112	114.3 Å²	114.3	60%	0.599	59%	0.593	S	S	*	*	S	Bend	trans	-76.7	-18.1	179.1	-109.3	-58	0	0	0	113.2	K856	D845-K856 IonicContact OD1-NZ 3.08Å; D845-K856 PolarHBondContact OD1-NZ 3.22Å
846	Q	45.7	Very low	51.7	Low	122 Å²	122	113.3 Å²	113.3	57%	0.57	59%	0.589	S	S	*	*	S	Bend	trans	-86.5	-17.1	-179.7	-69.1	-178	-17.5	0	0	114.6	N843 L844 N848	N843-Q846 PolarHBondContact ND2-OE1 3Å; N843-Q846 PolarHBondContact OD1-OE1 3.1Å; L844-Q846 VanDerWaalsContact C-N 3.32Å; Q846-N848 PolarHBondContact O-N 3.28Å
847	R	41.3	Very low	53.9	Low	165 Å²	165	116.7 Å²	116.7	62%	0.623	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	36.4	-173.2	-60	-168.1	-171.3	-179.8	5.6	114.4	T840	T840-R847 PolarHBondContact O-NH2 2.95Å; T840-R847 PolarHBondContact OG1-NH2 3.46Å; T840-R847 VanDerWaalsContact OG1-NH2 3.16Å
848	N	42	Very low	56.1	Low	89 Å²	89	112.2 Å²	112.2	48%	0.476	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-132.4	13.2	-169.7	-158.6	40.4	0	0	0	114.6	Q846 K850 S851	Q846-N848 PolarHBondContact O-N 3.28Å; N848-K850 PolarHBondContact O-N 2.92Å; N848-S851 PolarHBondContact ND2-OG 3.02Å; N848-S851 PolarHBondContact O-N 2.98Å; N848-S851 PolarHBondContact O-OG 3.2Å; N848-S851 PolarHBondContact OD1-OG 2.98Å
849	D	44.2	Very low	58.7	Low	121 Å²	121	105.9 Å²	105.9	65%	0.647	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-63.5	-15.1	-173.1	-54.4	-41.5	0	0	0	114.8	S851 S852	D849-S851 PolarHBondContact O-N 2.99Å; D849-S851 VanDerWaalsContact O-N 3.09Å; D849-S852 WeakPolarHBondContact O-CB 3.37Å; D849-S852 PolarHBondContact O-N 3.49Å; D849-S852 PolarHBondContact O-OG 2.7Å
850	K	47.1	Very low	61.4	Low	182 Å²	182	104.4 Å²	104.4	79%	0.791	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-71.3	4.8	168.5	-62.2	-178.1	-178.6	178.8	0	113.1	Y763 N848	Y763-K850 WeakPolarHBondContact OH-CE 3.37Å; Y763-K850 PolarHBondContact OH-NZ 3.27Å; N848-K850 PolarHBondContact O-N 2.92Å
851	S	51.7	Low	64.3	Low	45 Å²	45	100.7 Å²	100.7	32%	0.315	52%	0.517	S	S	.	.	G	3₁₀ helix	trans	-135.9	18.9	173.1	70.5	0	0	0	0	113.8	N848 D849 S853 H854	N848-S851 PolarHBondContact ND2-OG 3.02Å; N848-S851 PolarHBondContact O-N 2.98Å; N848-S851 PolarHBondContact O-OG 3.2Å; N848-S851 PolarHBondContact OD1-OG 2.98Å; D849-S851 PolarHBondContact O-N 2.99Å; D849-S851 VanDerWaalsContact O-N 3.09Å; S851-S853 PolarHBondContact O-N 3.38Å; S851-H854 PolarHBondContact O-N 3.43Å
852	S	54.6	Low	67.2	Low	103 Å²	103	96 Å²	96	72%	0.72	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-21.6	-171.1	53.1	0	0	0	0	116.4	D849 H854	D849-S852 WeakPolarHBondContact O-CB 3.37Å; D849-S852 PolarHBondContact O-N 3.49Å; D849-S852 PolarHBondContact O-OG 2.7Å; S852-H854 VanDerWaalsContact C-N 3.26Å; S852-H854 PolarHBondContact O-N 3.17Å
853	S	74.8	Confident	70.1	Confident	120 Å²	120	94.4 Å²	94.4	84%	0.839	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-6.3	174.9	61.3	0	0	0	0	115.1	S851	S851-S853 PolarHBondContact O-N 3.38Å
854	H	83.7	Confident	73.1	Confident	99 Å²	99	91.7 Å²	91.7	46%	0.458	46%	0.462	S	S	.	.			trans	-105	93.3	-179.5	-168.5	61.1	0	0	0	113.9	S851 S852 K856 R927	S851-H854 PolarHBondContact O-N 3.43Å; S852-H854 VanDerWaalsContact C-N 3.26Å; S852-H854 PolarHBondContact O-N 3.17Å; H854-K856 PolarHBondContact O-N 3.44Å; H854-R927 PolarHBondContact CD2-NH2 3.31Å; H854-R927 PolarHBondContact CE1-NH2 3.34Å; H854-R927 PolarHBondContact ND1-NH2 2.87Å; H854-R927 PolarHBondContact NE2-NE 3.3Å; H854-R927 PolarHBondContact NE2-NH2 3.07Å
855	I	91	Very high	75.6	Confident	56 Å²	56	87.6 Å²	87.6	29%	0.287	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-53.8	120.1	169.7	-63	165.4	0	0	0	110.7	H915 H919 Y922	I855-H915 WeakPolarHBondContact CG2-CE1 3.36Å; I855-H919 HydrophobicContact CD1-CB 4.12Å; I855-H919 WeakPolarHBondContact CG2-CD2 3.46Å; I855-Y922 HydrophobicContact CB-CD2 3.77Å; I855-Y922 HydrophobicContact CB-CE2 4.01Å; I855-Y922 HydrophobicContact CD1-CD2 4.12Å; I855-Y922 HydrophobicContact CG2-CD2 3.37Å; I855-Y922 HydrophobicContact CG2-CE2 3.67Å; I855-Y922 HydrophobicContact CG2-CG 4.14Å
856	K	92.8	Very high	78.2	Confident	118 Å²	118	82.2 Å²	82.2	51%	0.513	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-71.1	150.6	171.8	-64.3	172	-176.1	161.6	0	109.4	D845 H854 H915	D845-K856 IonicContact OD1-NZ 3.08Å; D845-K856 PolarHBondContact OD1-NZ 3.22Å; H854-K856 PolarHBondContact O-N 3.44Å; K856-H915 PolarHBondContact O-CE1 3.13Å
857	R	94.5	Very high	80.6	Confident	150 Å²	150	82.7 Å²	82.7	57%	0.566	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-67.5	155.2	172.1	-62.5	-172.1	-151.5	-130.1	12.3	112	Y924	R857-Y924 VanDerWaalsContact CZ-CZ 3.48Å; R857-Y924 VanDerWaalsContact NH1-CE2 3.31Å; R857-Y924 VanDerWaalsContact NH1-CZ 3.25Å; R857-Y924 PolarHBondContact NH2-OH 2.94Å
858	P	97	Very high	83.1	Confident	44 Å²	44	78.5 Å²	78.5	29%	0.286	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-64.8	159.2	161.7	30.3	-32.9	0	0	0	110.5	H915	P858-H915 HydrophobicContact CB-CB 3.96Å; P858-H915 HydrophobicContact CG-CB 4.19Å
859	M	96.8	Very high	85.7	Confident	58 Å²	58	75 Å²	75	29%	0.286	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-85.7	139.9	-176.3	-155.2	171.5	-63.1	0	0	110.8	M863 I864 L911	M859-M863 HydrophobicContact CG-CB 3.45Å; M859-M863 VanDerWaalsContact CG-CB 3.45Å; M859-M863 HydrophobicContact SD-CB 4.15Å; M859-I864 HydrophobicContact CB-CD1 4.49Å; M859-I864 HydrophobicContact CB-CG1 3.81Å; M859-I864 HydrophobicContact CG-CG1 3.76Å; M859-I864 HydrophobicContact SD-CB 4.47Å; M859-I864 HydrophobicContact SD-CG1 4Å; M859-L911 HydrophobicContact CB-CD1 4.21Å
860	N	97.9	Very high	88.2	Confident	76 Å²	76	71.8 Å²	71.8	41%	0.406	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-91.3	163.2	174.9	75	8.9	0	0	0	111.8	F862 M863 I864 Q908	N860-F862 VanDerWaalsContact C-N 3.32Å; N860-F862 PolarHBondContact O-N 2.65Å; N860-M863 CarbonylContact O-C 3.49Å; N860-M863 WeakPolarHBondContact O-CA 3.46Å; N860-M863 PolarHBondContact O-N 2.88Å; N860-M863 VanDerWaalsContact OD1-CB 3.3Å; N860-M863 WeakPolarHBondContact OD1-CB 3.45Å; N860-M863 WeakPolarHBondContact OD1-CG 3.45Å; N860-M863 PolarHBondContact OD1-N 2.89Å; N860-I864 WeakPolarHBondContact O-CG1 3.24Å; N860-I864 PolarHBondContact O-N 3.16Å; N860-Q908 VanDerWaalsContact CA-OE1 3.31Å
861	A	97.9	Very high	90.5	Very high	2 Å²	2	69.1 Å²	69.1	2%	0.017	34%	0.342	C	S	.	.	H	α-helix	trans	-49.5	-49	-173.6	0	0	0	0	0	113.1	M863 I864 W865 W893 Y904 Y905 Q908	A861-M863 PolarHBondContact O-N 3.21Å; A861-I864 PolarHBondContact O-N 3.05Å; A861-W865 PolarHBondContact O-N 3.08Å; A861-W893 HydrophobicContact CB-CH2 3.91Å; A861-W893 HydrophobicContact CB-CZ2 4.04Å; A861-Y904 WeakPolarHBondContact CA-O 3.49Å; A861-Y904 VanDerWaalsContact CB-O 3.27Å; A861-Y904 WeakPolarHBondContact CB-O 3.29Å; A861-Y905 HydrophobicContact CB-CD1 3.64Å; A861-Y905 HydrophobicContact CB-CE1 3.86Å; A861-Y905 HydrophobicContact CB-CG 4.12Å; A861-Q908 HydrophobicContact CB-CB 4.4Å
862	F	98.2	Very high	92.6	Very high	50 Å²	50	73 Å²	73	22%	0.219	35%	0.353	C	S	.	.	H	α-helix	trans	-59	-45.3	175.1	171.8	-103.5	0	0	0	112.5	N860 W865 A866 L889 W893	N860-F862 VanDerWaalsContact C-N 3.32Å; N860-F862 PolarHBondContact O-N 2.65Å; F862-W865 HydrophobicContact CD2-CE3 4.07Å; F862-W865 HydrophobicContact CD2-CZ3 4.14Å; F862-W865 HydrophobicContact CE2-CE3 4.18Å; F862-W865 AromaticContact CE2-CZ3 3.83Å; F862-W865 HydrophobicContact CE2-CZ3 3.83Å; F862-A866 HydrophobicContact CE1-CB 4.41Å; F862-A866 HydrophobicContact CE2-CB 4.45Å; F862-A866 HydrophobicContact CZ-CB 4.29Å; F862-A866 WeakPolarHBondContact O-CB 3.09Å; F862-A866 PolarHBondContact O-N 3.3Å; F862-L889 HydrophobicContact CE2-CB 4.42Å; F862-L889 HydrophobicContact CZ-CB 4.34Å; F862-W893 HydrophobicContact CB-CD2 4.36Å; F862-W893 HydrophobicContact CD2-CB 3.69Å; F862-W893 AromaticContact CD2-CD1 3.89Å; F862-W893 AromaticContact CD2-CD2 3.91Å; F862-W893 HydrophobicContact CD2-CD2 3.91Å; F862-W893 HydrophobicContact CD2-CE3 4.47Å; F862-W893 AromaticContact CD2-CG 3.53Å; F862-W893 HydrophobicContact CD2-CG 3.53Å; F862-W893 HydrophobicContact CE2-CB 3.85Å; F862-W893 HydrophobicContact CE2-CG 4.21Å
863	M	97.6	Very high	94.5	Very high	91 Å²	91	69.2 Å²	69.2	45%	0.448	33%	0.325	S	S	.	.	H	α-helix	trans	-70.6	-31.6	-179.7	-71.9	-66.3	-173.1	0	0	112.9	M859 N860 A861 R867	M859-M863 HydrophobicContact CG-CB 3.45Å; M859-M863 VanDerWaalsContact CG-CB 3.45Å; M859-M863 HydrophobicContact SD-CB 4.15Å; N860-M863 CarbonylContact O-C 3.49Å; N860-M863 WeakPolarHBondContact O-CA 3.46Å; N860-M863 PolarHBondContact O-N 2.88Å; N860-M863 VanDerWaalsContact OD1-CB 3.3Å; N860-M863 WeakPolarHBondContact OD1-CB 3.45Å; N860-M863 WeakPolarHBondContact OD1-CG 3.45Å; N860-M863 PolarHBondContact OD1-N 2.89Å; A861-M863 PolarHBondContact O-N 3.21Å; M863-R867 PolarHBondContact O-N 2.87Å; M863-R867 VanDerWaalsContact O-N 3.1Å
864	I	97.6	Very high	95.4	Very high	23 Å²	23	67 Å²	67	12%	0.118	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-57.3	173.6	-62.5	156.5	0	0	0	108.7	M859 N860 A861 A866 R867 Y904 E907 Q908 L911	M859-I864 HydrophobicContact CB-CD1 4.49Å; M859-I864 HydrophobicContact CB-CG1 3.81Å; M859-I864 HydrophobicContact CG-CG1 3.76Å; M859-I864 HydrophobicContact SD-CB 4.47Å; M859-I864 HydrophobicContact SD-CG1 4Å; N860-I864 WeakPolarHBondContact O-CG1 3.24Å; N860-I864 PolarHBondContact O-N 3.16Å; A861-I864 PolarHBondContact O-N 3.05Å; I864-A866 PolarHBondContact O-N 3.24Å; I864-R867 WeakPolarHBondContact O-CB 3.39Å; I864-R867 PolarHBondContact O-N 3.24Å; I864-R867 VanDerWaalsContact O-N 3.09Å; I864-Y904 HydrophobicContact CB-CD1 4.48Å; I864-Y904 HydrophobicContact CG2-CD1 4.03Å; I864-E907 HydrophobicContact CD1-CB 4.25Å; I864-E907 HydrophobicContact CD1-CG 3.97Å; I864-E907 HydrophobicContact CG2-CG 4.02Å; I864-Q908 HydrophobicContact CD1-CB 3.98Å; I864-L911 HydrophobicContact CD1-CD1 3.95Å; I864-L911 HydrophobicContact CG1-CD1 4.13Å
865	W	98	Very high	95.9	Very high	13 Å²	13	71.1 Å²	71.1	5%	0.049	32%	0.32	C	S	.	.	H	α-helix	trans	-57.5	-46.7	176.7	169.4	79.3	0	0	0	112.7	A861 F862 R867 D868 E869 L889 K892 W893 M896 Y904	A861-W865 PolarHBondContact O-N 3.08Å; F862-W865 HydrophobicContact CD2-CE3 4.07Å; F862-W865 HydrophobicContact CD2-CZ3 4.14Å; F862-W865 HydrophobicContact CE2-CE3 4.18Å; F862-W865 AromaticContact CE2-CZ3 3.83Å; F862-W865 HydrophobicContact CE2-CZ3 3.83Å; W865-R867 PolarHBondContact O-N 2.61Å; W865-R867 VanDerWaalsContact O-N 3.12Å; W865-D868 PolarHBondContact O-N 2.7Å; W865-E869 HydrophobicContact CD2-CB 4.47Å; W865-E869 HydrophobicContact CH2-CB 4.48Å; W865-E869 HydrophobicContact CH2-CG 4.17Å; W865-E869 HydrophobicContact CZ2-CB 4.09Å; W865-E869 HydrophobicContact CZ2-CG 3.71Å; W865-E869 PolarHBondContact O-N 2.99Å; W865-E869 VanDerWaalsContact O-N 3.14Å; W865-L889 HydrophobicContact CH2-CB 4.26Å; W865-L889 HydrophobicContact CH2-CD2 3.65Å; W865-L889 WeakPolarHBondContact CH2-O 3.43Å; W865-L889 HydrophobicContact CZ2-CD2 4.4Å; W865-L889 HydrophobicContact CZ3-CB 3.98Å; W865-L889 HydrophobicContact CZ3-CD2 3.78Å; W865-L889 HydrophobicContact CZ3-CG 4.5Å; W865-L889 VanDerWaalsContact CZ3-O 3.31Å; W865-L889 WeakPolarHBondContact CZ3-O 3.49Å; W865-K892 HydrophobicContact CH2-CB 4.01Å; W865-K892 HydrophobicContact CH2-CD 4.46Å; W865-K892 HydrophobicContact CH2-CG 4.16Å; W865-K892 HydrophobicContact CZ2-CB 4.3Å; W865-K892 HydrophobicContact CZ2-CD 4.05Å; W865-K892 HydrophobicContact CZ2-CG 3.92Å; W865-W893 HydrophobicContact CB-CE3 4.11Å; W865-W893 HydrophobicContact CB-CZ3 3.71Å; W865-W893 AromaticContact CD2-CE3 3.67Å; W865-W893 HydrophobicContact CD2-CE3 3.67Å; W865-W893 HydrophobicContact CD2-CZ3 4.15Å; W865-W893 HydrophobicContact CE3-CB 4.21Å; W865-W893 HydrophobicContact CE3-CD2 4.36Å; W865-W893 AromaticContact CE3-CE3 3.65Å; W865-W893 HydrophobicContact CE3-CE3 3.65Å; W865-W893 HydrophobicContact CE3-CZ3 4.43Å; W865-W893 AromaticContact CG-CE3 3.88Å; W865-W893 HydrophobicContact CG-CE3 3.88Å; W865-W893 AromaticContact CG-CZ3 3.84Å; W865-W893 HydrophobicContact CG-CZ3 3.84Å; W865-W893 HydrophobicContact CH2-CB 4.17Å; W865-W893 HydrophobicContact CZ3-CB 3.76Å; W865-W893 HydrophobicContact CZ3-CE3 4.34Å; W865-M896 HydrophobicContact CD2-CE 4.45Å; W865-M896 HydrophobicContact CD2-SD 4.41Å; W865-M896 HydrophobicContact CG-CE 4.36Å; W865-M896 HydrophobicContact CH2-SD 4.43Å; W865-M896 HydrophobicContact CZ2-SD 3.69Å; W865-Y904 HydrophobicContact CB-CD1 3.67Å; W865-Y904 HydrophobicContact CB-CD2 4.34Å; W865-Y904 HydrophobicContact CB-CE1 3.75Å; W865-Y904 HydrophobicContact CB-CE2 4.43Å; W865-Y904 HydrophobicContact CB-CG 3.98Å; W865-Y904 AromaticContact CD1-CE2 3.9Å; W865-Y904 AromaticContact CD1-CZ 3.63Å; W865-Y904 HydrophobicContact CG-CE1 4.33Å; W865-Y904 HydrophobicContact CG-CE2 4.5Å
866	A	97.7	Very high	96	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-69.3	-6.7	179.5	0	0	0	0	0	113.7	F862 I864 R870 L889	F862-A866 HydrophobicContact CE1-CB 4.41Å; F862-A866 HydrophobicContact CE2-CB 4.45Å; F862-A866 HydrophobicContact CZ-CB 4.29Å; F862-A866 WeakPolarHBondContact O-CB 3.09Å; F862-A866 PolarHBondContact O-N 3.3Å; I864-A866 PolarHBondContact O-N 3.24Å; A866-R870 WeakPolarHBondContact O-CB 3.38Å; A866-R870 PolarHBondContact O-N 2.98Å; A866-R870 PolarHBondContact O-NH1 3.31Å; A866-L889 HydrophobicContact CB-CD1 4.2Å
867	R	96.2	Very high	95.9	Very high	132 Å²	132	69.2 Å²	69.2	50%	0.498	33%	0.331	S	S	.	.	H	α-helix	trans	-70.5	-43	173.8	-159.5	-178	-159.9	177.6	5.4	111	M863 I864 W865 R871	M863-R867 PolarHBondContact O-N 2.87Å; M863-R867 VanDerWaalsContact O-N 3.1Å; I864-R867 WeakPolarHBondContact O-CB 3.39Å; I864-R867 PolarHBondContact O-N 3.24Å; I864-R867 VanDerWaalsContact O-N 3.09Å; W865-R867 PolarHBondContact O-N 2.61Å; W865-R867 VanDerWaalsContact O-N 3.12Å; R867-R871 PolarHBondContact O-NE 3.02Å; R867-R871 PolarHBondContact O-NH2 3.15Å
868	D	94.7	Very high	95.8	Very high	77 Å²	77	66.2 Å²	66.2	41%	0.412	33%	0.331	S	S	.	.	H	α-helix	trans	-87.6	-44.5	-179.1	-75.8	-85.4	0	0	0	111.4	W865 R870 R871 K872	W865-D868 PolarHBondContact O-N 2.7Å; D868-R870 VanDerWaalsContact C-N 3.32Å; D868-R870 PolarHBondContact O-N 2.77Å; D868-R871 WeakPolarHBondContact O-CA 3.31Å; D868-R871 WeakPolarHBondContact O-CB 3.23Å; D868-R871 PolarHBondContact O-N 2.9Å; D868-R871 IonicContact OD1-CZ 3.74Å; D868-R871 IonicContact OD1-NH1 2.69Å; D868-R871 PolarHBondContact OD1-NH1 3.36Å; D868-R871 IonicContact OD1-NH2 3.71Å; D868-R871 PolarHBondContact OD1-NH2 3.01Å; D868-R871 IonicContact OD2-CZ 2.78Å; D868-R871 IonicContact OD2-NH2 2.71Å; D868-R871 PolarHBondContact OD2-NH2 3.26Å; D868-K872 PolarHBondContact O-N 3.2Å; D868-K872 VanDerWaalsContact O-N 3.11Å
869	E	96.3	Very high	95.7	Very high	16 Å²	16	71.5 Å²	71.5	8%	0.075	36%	0.357	C	S	.	.	H	α-helix	trans	-64.6	-36.7	-178.3	-161.4	73.1	175.6	0	0	112.2	W865 R871 K872 I873 L889 K892	W865-E869 HydrophobicContact CD2-CB 4.47Å; W865-E869 HydrophobicContact CH2-CB 4.48Å; W865-E869 HydrophobicContact CH2-CG 4.17Å; W865-E869 HydrophobicContact CZ2-CB 4.09Å; W865-E869 HydrophobicContact CZ2-CG 3.71Å; W865-E869 PolarHBondContact O-N 2.99Å; W865-E869 VanDerWaalsContact O-N 3.14Å; E869-R871 VanDerWaalsContact C-N 3.27Å; E869-R871 PolarHBondContact O-N 2.73Å; E869-K872 PolarHBondContact O-N 2.73Å; E869-K872 WeakPolarHBondContact OE2-CD 3.25Å; E869-K872 WeakPolarHBondContact OE2-CE 3.19Å; E869-K872 IonicContact OE2-NZ 2.66Å; E869-K872 PolarHBondContact OE2-NZ 3.49Å; E869-I873 HydrophobicContact CG-CD1 4.49Å; E869-I873 WeakPolarHBondContact O-CG1 3.21Å; E869-I873 PolarHBondContact O-N 2.86Å; E869-I873 VanDerWaalsContact O-N 3.09Å; E869-L889 HydrophobicContact CB-CD2 3.57Å; E869-L889 HydrophobicContact CG-CD2 3.48Å; E869-L889 VanDerWaalsContact CG-CD2 3.48Å; E869-K892 WeakPolarHBondContact OE1-CE 3.25Å; E869-K892 IonicContact OE1-NZ 3.77Å; E869-K892 PolarHBondContact OE1-NZ 3.49Å
870	R	96.9	Very high	95.4	Very high	53 Å²	53	72.7 Å²	72.7	20%	0.2	36%	0.363	C	S	.	.	H	α-helix	trans	-60.5	-35.1	171	-177.8	177	-75.9	102.5	-9.1	112.4	A866 D868 L874 I885 S886 L889	A866-R870 WeakPolarHBondContact O-CB 3.38Å; A866-R870 PolarHBondContact O-N 2.98Å; A866-R870 PolarHBondContact O-NH1 3.31Å; D868-R870 VanDerWaalsContact C-N 3.32Å; D868-R870 PolarHBondContact O-N 2.77Å; R870-L874 HydrophobicContact CG-CD1 3.99Å; R870-L874 WeakPolarHBondContact O-CB 3.24Å; R870-L874 WeakPolarHBondContact O-CG 3.26Å; R870-L874 PolarHBondContact O-N 2.71Å; R870-I885 HydrophobicContact CG-CG2 4.12Å; R870-S886 PolarHBondContact NH2-OG 3.27Å; R870-L889 HydrophobicContact CB-CD1 3.87Å; R870-L889 HydrophobicContact CG-CD1 4.46Å
871	R	95.4	Very high	95.2	Very high	126 Å²	126	74.9 Å²	74.9	48%	0.475	37%	0.37	S	S	.	.	H	α-helix	trans	-72.2	-30	177.2	-81	-173.9	-88.2	102.6	-4.2	112.3	R867 D868 E869 K875	R867-R871 PolarHBondContact O-NE 3.02Å; R867-R871 PolarHBondContact O-NH2 3.15Å; D868-R871 WeakPolarHBondContact O-CA 3.31Å; D868-R871 WeakPolarHBondContact O-CB 3.23Å; D868-R871 PolarHBondContact O-N 2.9Å; D868-R871 IonicContact OD1-CZ 3.74Å; D868-R871 IonicContact OD1-NH1 2.69Å; D868-R871 PolarHBondContact OD1-NH1 3.36Å; D868-R871 IonicContact OD1-NH2 3.71Å; D868-R871 PolarHBondContact OD1-NH2 3.01Å; D868-R871 IonicContact OD2-CZ 2.78Å; D868-R871 IonicContact OD2-NH2 2.71Å; D868-R871 PolarHBondContact OD2-NH2 3.26Å; E869-R871 VanDerWaalsContact C-N 3.27Å; E869-R871 PolarHBondContact O-N 2.73Å; R871-K875 WeakPolarHBondContact O-CG 3.35Å; R871-K875 PolarHBondContact O-N 3Å
872	K	95.6	Very high	95	Very high	125 Å²	125	78.8 Å²	78.8	54%	0.543	39%	0.391	S	S	.	.	H	α-helix	trans	-67.1	-49.5	170.8	-58.6	179.5	-163.5	161.7	0	110.9	D868 E869 L874 K875 A876	D868-K872 PolarHBondContact O-N 3.2Å; D868-K872 VanDerWaalsContact O-N 3.11Å; E869-K872 PolarHBondContact O-N 2.73Å; E869-K872 WeakPolarHBondContact OE2-CD 3.25Å; E869-K872 WeakPolarHBondContact OE2-CE 3.19Å; E869-K872 IonicContact OE2-NZ 2.66Å; E869-K872 PolarHBondContact OE2-NZ 3.49Å; K872-L874 VanDerWaalsContact C-N 3.33Å; K872-L874 PolarHBondContact O-N 3.4Å; K872-K875 WeakPolarHBondContact O-CB 3.3Å; K872-K875 PolarHBondContact O-N 3.49Å; K872-A876 PolarHBondContact O-N 3.42Å; K872-A876 VanDerWaalsContact O-N 3.13Å
873	I	94.2	Very high	94.9	Very high	25 Å²	25	79.3 Å²	79.3	13%	0.128	40%	0.401	C	S	.	.	H	α-helix	trans	-62.3	-40.2	-179.5	-59.4	160.3	0	0	0	111.3	E869 K875 A876 C877 I885 F888 L889	E869-I873 HydrophobicContact CG-CD1 4.49Å; E869-I873 WeakPolarHBondContact O-CG1 3.21Å; E869-I873 PolarHBondContact O-N 2.86Å; E869-I873 VanDerWaalsContact O-N 3.09Å; I873-K875 VanDerWaalsContact C-N 3.25Å; I873-K875 PolarHBondContact O-N 3.34Å; I873-A876 PolarHBondContact O-N 3.29Å; I873-C877 PolarHBondContact O-N 2.86Å; I873-I885 HydrophobicContact CB-CG2 4.08Å; I873-I885 HydrophobicContact CD1-CG2 3.8Å; I873-I885 HydrophobicContact CG2-CB 4.45Å; I873-I885 HydrophobicContact CG2-CD1 4.04Å; I873-I885 HydrophobicContact CG2-CG1 3.93Å; I873-I885 HydrophobicContact CG2-CG2 3.92Å; I873-F888 HydrophobicContact CD1-CD1 3.51Å; I873-F888 HydrophobicContact CD1-CE1 3.84Å; I873-F888 HydrophobicContact CG1-CD1 4.39Å; I873-F888 HydrophobicContact CG1-CE1 4.36Å; I873-L889 HydrophobicContact CD1-CD2 3.67Å; I873-L889 HydrophobicContact CD1-CG 3.9Å
874	L	93.7	Very high	94.8	Very high	73 Å²	73	77.3 Å²	77.3	38%	0.382	40%	0.395	S	S	.	.	H	α-helix	trans	-70.1	-14	174.6	-75.8	170.6	0	0	0	114.7	R870 K872 P878 I885	R870-L874 HydrophobicContact CG-CD1 3.99Å; R870-L874 WeakPolarHBondContact O-CB 3.24Å; R870-L874 WeakPolarHBondContact O-CG 3.26Å; R870-L874 PolarHBondContact O-N 2.71Å; K872-L874 VanDerWaalsContact C-N 3.33Å; K872-L874 PolarHBondContact O-N 3.4Å; L874-P878 WeakPolarHBondContact O-CA 3.14Å; L874-I885 HydrophobicContact CD2-CD1 3.43Å; L874-I885 VanDerWaalsContact CD2-CD1 3.43Å; L874-I885 HydrophobicContact CG-CD1 3.69Å
875	K	94.1	Very high	94.8	Very high	185 Å²	185	76.2 Å²	76.2	80%	0.804	39%	0.39	S	S	*	.	H	α-helix	trans	-84	-41.6	170	-79.4	-178.5	172.4	-165.4	0	111.6	R871 K872 I873	R871-K875 WeakPolarHBondContact O-CG 3.35Å; R871-K875 PolarHBondContact O-N 3Å; K872-K875 WeakPolarHBondContact O-CB 3.3Å; K872-K875 PolarHBondContact O-N 3.49Å; I873-K875 VanDerWaalsContact C-N 3.25Å; I873-K875 PolarHBondContact O-N 3.34Å
876	A	94	Very high	94.7	Very high	81 Å²	81	77.6 Å²	77.6	67%	0.669	40%	0.401	S	S	*	.	H	α-helix	trans	-75.6	-34.5	178.9	0	0	0	0	0	113	K872 I873	K872-A876 PolarHBondContact O-N 3.42Å; K872-A876 VanDerWaalsContact O-N 3.13Å; I873-A876 PolarHBondContact O-N 3.29Å
877	C	90.7	Very high	94.6	Very high	53 Å²	53	85.1 Å²	85.1	36%	0.358	43%	0.434	S	S	.	.			trans	-134.6	78.8	-178.2	-51.3	0	0	0	0	109.9	I873 D879 M880	I873-C877 PolarHBondContact O-N 2.86Å; C877-D879 VanDerWaalsContact C-N 3.29Å; C877-D879 PolarHBondContact O-N 2.77Å; C877-M880 HydrophobicContact CB-CB 3.67Å; C877-M880 HydrophobicContact CB-CE 4.45Å; C877-M880 VanDerWaalsContact O-CB 3.26Å; C877-M880 WeakPolarHBondContact O-CB 3.12Å; C877-M880 PolarHBondContact O-N 2.9Å; C877-M880 VanDerWaalsContact O-N 3.11Å
878	P	92.2	Very high	94.6	Very high	88 Å²	88	84.3 Å²	84.3	57%	0.571	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-34.9	-174.1	23.1	-33.2	0	0	0	113.4	L874 M880	L874-P878 WeakPolarHBondContact O-CA 3.14Å; P878-M880 VanDerWaalsContact C-N 3.3Å; P878-M880 PolarHBondContact O-N 3.5Å
879	D	93.6	Very high	94.8	Very high	155 Å²	155	80.6 Å²	80.6	83%	0.829	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-1.9	179.9	-54.8	-69.4	0	0	0	113.8	C877 H881	C877-D879 VanDerWaalsContact C-N 3.29Å; C877-D879 PolarHBondContact O-N 2.77Å; D879-H881 PolarHBondContact O-N 3.34Å; D879-H881 VanDerWaalsContact O-N 3.1Å
880	M	91.7	Very high	94.8	Very high	83 Å²	83	81 Å²	81	41%	0.409	42%	0.423	S	S	.	.			trans	-66.4	113.9	-177.9	-174.9	60.9	66.8	0	0	111.2	C877 P878 N882 S884 I885	C877-M880 HydrophobicContact CB-CB 3.67Å; C877-M880 HydrophobicContact CB-CE 4.45Å; C877-M880 VanDerWaalsContact O-CB 3.26Å; C877-M880 WeakPolarHBondContact O-CB 3.12Å; C877-M880 PolarHBondContact O-N 2.9Å; C877-M880 VanDerWaalsContact O-N 3.11Å; P878-M880 VanDerWaalsContact C-N 3.3Å; P878-M880 PolarHBondContact O-N 3.5Å; M880-N882 PolarHBondContact O-N 3.47Å; M880-S884 VanDerWaalsContact SD-CB 3.58Å; M880-I885 HydrophobicContact CB-CD1 4.13Å; M880-I885 HydrophobicContact CB-CG1 4.03Å; M880-I885 HydrophobicContact CG-CD1 4.15Å; M880-I885 HydrophobicContact CG-CG1 3.49Å; M880-I885 VanDerWaalsContact CG-CG1 3.49Å; M880-I885 VanDerWaalsContact O-CD1 3.32Å; M880-I885 WeakPolarHBondContact O-CD1 3.35Å
881	H	93.2	Very high	94.8	Very high	122 Å²	122	81.3 Å²	81.3	57%	0.565	44%	0.437	S	S	*	.			trans	-59.8	136.1	-177.5	172.6	77.8	0	0	0	112.5	D879 S883 S884 I885	D879-H881 PolarHBondContact O-N 3.34Å; D879-H881 VanDerWaalsContact O-N 3.1Å; H881-S883 VanDerWaalsContact C-N 3.29Å; H881-S883 PolarHBondContact CD2-N 2.81Å; H881-S883 VanDerWaalsContact CD2-N 3.35Å; H881-S883 PolarHBondContact CD2-OG 2.83Å; H881-S883 WeakPolarHBondContact NE2-CB 3.34Å; H881-S883 PolarHBondContact NE2-N 3.07Å; H881-S883 PolarHBondContact NE2-OG 3.33Å; H881-S883 PolarHBondContact O-N 2.98Å; H881-S883 VanDerWaalsContact O-N 3.09Å; H881-S884 WeakPolarHBondContact O-CA 3.13Å; H881-S884 VanDerWaalsContact O-CB 3.29Å; H881-S884 WeakPolarHBondContact O-CB 3.46Å; H881-S884 PolarHBondContact O-N 2.99Å; H881-I885 PolarHBondContact O-N 3.4Å
882	N	94	Very high	94.9	Very high	84 Å²	84	79.2 Å²	79.2	45%	0.449	43%	0.431	S	S	.	.	H	α-helix	trans	-58.4	-31.1	-167.2	-164.1	-53.1	0	0	0	114.7	M880 I885 S886	M880-N882 PolarHBondContact O-N 3.47Å; N882-I885 PolarHBondContact O-N 2.9Å; N882-S886 WeakPolarHBondContact O-CB 3.28Å; N882-S886 PolarHBondContact O-N 2.86Å; N882-S886 PolarHBondContact O-OG 2.84Å; N882-S886 PolarHBondContact OD1-OG 3.36Å
883	S	95.6	Very high	95	Very high	61 Å²	61	74.8 Å²	74.8	43%	0.427	41%	0.411	S	S	.	.	H	α-helix	trans	-70.6	-31	174.8	73.1	0	0	0	0	113	H881 S886 K887	H881-S883 VanDerWaalsContact C-N 3.29Å; H881-S883 PolarHBondContact CD2-N 2.81Å; H881-S883 VanDerWaalsContact CD2-N 3.35Å; H881-S883 PolarHBondContact CD2-OG 2.83Å; H881-S883 WeakPolarHBondContact NE2-CB 3.34Å; H881-S883 PolarHBondContact NE2-N 3.07Å; H881-S883 PolarHBondContact NE2-OG 3.33Å; H881-S883 PolarHBondContact O-N 2.98Å; H881-S883 VanDerWaalsContact O-N 3.09Å; S883-S886 PolarHBondContact O-N 3.17Å; S883-K887 WeakPolarHBondContact O-CG 3.42Å; S883-K887 PolarHBondContact O-N 2.88Å
884	S	96.2	Very high	95.2	Very high	48 Å²	48	81.9 Å²	81.9	34%	0.336	44%	0.441	S	S	.	.	H	α-helix	trans	-66.3	-46.5	170.5	-54.2	0	0	0	0	111.1	M880 H881 S886 K887 F888	M880-S884 VanDerWaalsContact SD-CB 3.58Å; H881-S884 WeakPolarHBondContact O-CA 3.13Å; H881-S884 VanDerWaalsContact O-CB 3.29Å; H881-S884 WeakPolarHBondContact O-CB 3.46Å; H881-S884 PolarHBondContact O-N 2.99Å; S884-S886 VanDerWaalsContact C-N 3.27Å; S884-S886 PolarHBondContact O-N 3.22Å; S884-K887 WeakPolarHBondContact O-CB 3.31Å; S884-K887 PolarHBondContact O-N 3.35Å; S884-F888 PolarHBondContact O-N 3.22Å
885	I	96.1	Very high	95.3	Very high	1 Å²	1	83.2 Å²	83.2	1%	0.005	46%	0.456	C	S	.	.	H	α-helix	trans	-57.5	-43.3	173.4	-54.6	-174.3	0	0	0	110.6	R870 I873 L874 M880 H881 N882 K887 F888 L889	R870-I885 HydrophobicContact CG-CG2 4.12Å; I873-I885 HydrophobicContact CB-CG2 4.08Å; I873-I885 HydrophobicContact CD1-CG2 3.8Å; I873-I885 HydrophobicContact CG2-CB 4.45Å; I873-I885 HydrophobicContact CG2-CD1 4.04Å; I873-I885 HydrophobicContact CG2-CG1 3.93Å; I873-I885 HydrophobicContact CG2-CG2 3.92Å; L874-I885 HydrophobicContact CD2-CD1 3.43Å; L874-I885 VanDerWaalsContact CD2-CD1 3.43Å; L874-I885 HydrophobicContact CG-CD1 3.69Å; M880-I885 HydrophobicContact CB-CD1 4.13Å; M880-I885 HydrophobicContact CB-CG1 4.03Å; M880-I885 HydrophobicContact CG-CD1 4.15Å; M880-I885 HydrophobicContact CG-CG1 3.49Å; M880-I885 VanDerWaalsContact CG-CG1 3.49Å; M880-I885 VanDerWaalsContact O-CD1 3.32Å; M880-I885 WeakPolarHBondContact O-CD1 3.35Å; H881-I885 PolarHBondContact O-N 3.4Å; N882-I885 PolarHBondContact O-N 2.9Å; I885-K887 PolarHBondContact O-N 3.42Å; I885-F888 PolarHBondContact O-N 3.13Å; I885-L889 HydrophobicContact CG2-CD1 3.75Å; I885-L889 HydrophobicContact CG2-CG 4.2Å; I885-L889 WeakPolarHBondContact O-CB 3.27Å; I885-L889 VanDerWaalsContact O-CG 3.26Å; I885-L889 WeakPolarHBondContact O-CG 3.21Å; I885-L889 PolarHBondContact O-N 2.89Å
886	S	96.4	Very high	95.5	Very high	41 Å²	41	75.7 Å²	75.7	29%	0.287	42%	0.424	S	S	.	.	H	α-helix	trans	-70.3	-29.2	-179	-60.4	0	0	0	0	113.1	R870 N882 S883 S884 G890	R870-S886 PolarHBondContact NH2-OG 3.27Å; N882-S886 WeakPolarHBondContact O-CB 3.28Å; N882-S886 PolarHBondContact O-N 2.86Å; N882-S886 PolarHBondContact O-OG 2.84Å; N882-S886 PolarHBondContact OD1-OG 3.36Å; S883-S886 PolarHBondContact O-N 3.17Å; S884-S886 VanDerWaalsContact C-N 3.27Å; S884-S886 PolarHBondContact O-N 3.22Å; S886-G890 PolarHBondContact O-N 3.07Å
887	K	96.7	Very high	95.7	Very high	159 Å²	159	74.2 Å²	74.2	69%	0.691	41%	0.409	S	S	*	.	H	α-helix	trans	-64	-50.6	167.6	-73.5	173.1	-178.7	-178.9	0	111.1	S883 S884 I885 L889 G890 A891	S883-K887 WeakPolarHBondContact O-CG 3.42Å; S883-K887 PolarHBondContact O-N 2.88Å; S884-K887 WeakPolarHBondContact O-CB 3.31Å; S884-K887 PolarHBondContact O-N 3.35Å; I885-K887 PolarHBondContact O-N 3.42Å; K887-L889 PolarHBondContact O-N 3.07Å; K887-G890 PolarHBondContact O-N 2.93Å; K887-A891 PolarHBondContact O-N 2.98Å
888	F	95.9	Very high	95.9	Very high	114 Å²	114	75.5 Å²	75.5	50%	0.5	42%	0.423	S	S	.	.	H	α-helix	trans	-59.5	-47	179.5	179.2	-89.1	0	0	0	111.9	I873 S884 I885 G890 A891 K892	I873-F888 HydrophobicContact CD1-CD1 3.51Å; I873-F888 HydrophobicContact CD1-CE1 3.84Å; I873-F888 HydrophobicContact CG1-CD1 4.39Å; I873-F888 HydrophobicContact CG1-CE1 4.36Å; S884-F888 PolarHBondContact O-N 3.22Å; I885-F888 PolarHBondContact O-N 3.13Å; F888-G890 VanDerWaalsContact C-N 3.32Å; F888-G890 PolarHBondContact O-N 3.44Å; F888-A891 PolarHBondContact O-N 3.43Å; F888-A891 VanDerWaalsContact O-N 3.15Å; F888-K892 HydrophobicContact CE1-CD 4.15Å; F888-K892 PolarHBondContact O-N 3.37Å
889	L	97.6	Very high	96.2	Very high	0 Å²	0	78.8 Å²	78.8	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-59.6	-41.7	175	-70.5	169.8	0	0	0	112	F862 W865 A866 E869 R870 I873 I885 K887 A891 K892 W893	F862-L889 HydrophobicContact CE2-CB 4.42Å; F862-L889 HydrophobicContact CZ-CB 4.34Å; W865-L889 HydrophobicContact CH2-CB 4.26Å; W865-L889 HydrophobicContact CH2-CD2 3.65Å; W865-L889 WeakPolarHBondContact CH2-O 3.43Å; W865-L889 HydrophobicContact CZ2-CD2 4.4Å; W865-L889 HydrophobicContact CZ3-CB 3.98Å; W865-L889 HydrophobicContact CZ3-CD2 3.78Å; W865-L889 HydrophobicContact CZ3-CG 4.5Å; W865-L889 VanDerWaalsContact CZ3-O 3.31Å; W865-L889 WeakPolarHBondContact CZ3-O 3.49Å; A866-L889 HydrophobicContact CB-CD1 4.2Å; E869-L889 HydrophobicContact CB-CD2 3.57Å; E869-L889 HydrophobicContact CG-CD2 3.48Å; E869-L889 VanDerWaalsContact CG-CD2 3.48Å; R870-L889 HydrophobicContact CB-CD1 3.87Å; R870-L889 HydrophobicContact CG-CD1 4.46Å; I873-L889 HydrophobicContact CD1-CD2 3.67Å; I873-L889 HydrophobicContact CD1-CG 3.9Å; I885-L889 HydrophobicContact CG2-CD1 3.75Å; I885-L889 HydrophobicContact CG2-CG 4.2Å; I885-L889 WeakPolarHBondContact O-CB 3.27Å; I885-L889 VanDerWaalsContact O-CG 3.26Å; I885-L889 WeakPolarHBondContact O-CG 3.21Å; I885-L889 PolarHBondContact O-N 2.89Å; K887-L889 PolarHBondContact O-N 3.07Å; L889-A891 VanDerWaalsContact C-N 3.32Å; L889-A891 PolarHBondContact O-N 3Å; L889-K892 PolarHBondContact O-N 2.96Å; L889-W893 WeakPolarHBondContact O-CB 3.25Å; L889-W893 PolarHBondContact O-N 3.41Å
890	G	97.7	Very high	96.3	Very high	24 Å²	24	75.1 Å²	75.1	25%	0.247	41%	0.414	C	S	.	.	H	α-helix	trans	-64.4	-33	175.9	0	0	0	0	0	113.7	S886 K887 F888 K894	S886-G890 PolarHBondContact O-N 3.07Å; K887-G890 PolarHBondContact O-N 2.93Å; F888-G890 VanDerWaalsContact C-N 3.32Å; F888-G890 PolarHBondContact O-N 3.44Å; G890-K894 WeakPolarHBondContact O-CG 3.28Å; G890-K894 PolarHBondContact O-N 2.99Å
891	A	97.4	Very high	96.6	Very high	60 Å²	60	72.6 Å²	72.6	50%	0.496	40%	0.401	S	S	.	.	H	α-helix	trans	-72.6	-51.2	173.8	0	0	0	0	0	111.6	K887 F888 L889 W893 K894 S895	K887-A891 PolarHBondContact O-N 2.98Å; F888-A891 PolarHBondContact O-N 3.43Å; F888-A891 VanDerWaalsContact O-N 3.15Å; L889-A891 VanDerWaalsContact C-N 3.32Å; L889-A891 PolarHBondContact O-N 3Å; A891-W893 PolarHBondContact O-N 3.46Å; A891-K894 WeakPolarHBondContact O-CB 3.38Å; A891-K894 PolarHBondContact O-N 2.7Å; A891-S895 PolarHBondContact O-N 3.24Å; A891-S895 VanDerWaalsContact O-N 3.14Å
892	K	97	Very high	96.8	Very high	82 Å²	82	71.1 Å²	71.1	36%	0.357	39%	0.394	S	S	.	.	H	α-helix	trans	-62.3	-38.3	-179.6	-175.3	171.8	-175	175	0	112.6	W865 E869 F888 L889 K894 S895 M896	W865-K892 HydrophobicContact CH2-CB 4.01Å; W865-K892 HydrophobicContact CH2-CD 4.46Å; W865-K892 HydrophobicContact CH2-CG 4.16Å; W865-K892 HydrophobicContact CZ2-CB 4.3Å; W865-K892 HydrophobicContact CZ2-CD 4.05Å; W865-K892 HydrophobicContact CZ2-CG 3.92Å; E869-K892 WeakPolarHBondContact OE1-CE 3.25Å; E869-K892 IonicContact OE1-NZ 3.77Å; E869-K892 PolarHBondContact OE1-NZ 3.49Å; F888-K892 HydrophobicContact CE1-CD 4.15Å; F888-K892 PolarHBondContact O-N 3.37Å; L889-K892 PolarHBondContact O-N 2.96Å; K892-K894 VanDerWaalsContact C-N 3.32Å; K892-K894 PolarHBondContact O-N 2.92Å; K892-S895 PolarHBondContact O-N 3.41Å; K892-S895 PolarHBondContact O-OG 2.91Å; K892-M896 VanDerWaalsContact O-CG 3.29Å; K892-M896 WeakPolarHBondContact O-CG 3.47Å; K892-M896 PolarHBondContact O-N 3.32Å
893	W	98	Very high	97	Very high	31 Å²	31	70.3 Å²	70.3	12%	0.117	39%	0.394	C	S	.	.	H	α-helix	trans	-63.2	-36.7	171.9	-179	-99.9	0	0	0	112.5	A861 F862 W865 L889 A891 M896 K901 Y904 Y905	A861-W893 HydrophobicContact CB-CH2 3.91Å; A861-W893 HydrophobicContact CB-CZ2 4.04Å; F862-W893 HydrophobicContact CB-CD2 4.36Å; F862-W893 HydrophobicContact CD2-CB 3.69Å; F862-W893 AromaticContact CD2-CD1 3.89Å; F862-W893 AromaticContact CD2-CD2 3.91Å; F862-W893 HydrophobicContact CD2-CD2 3.91Å; F862-W893 HydrophobicContact CD2-CE3 4.47Å; F862-W893 AromaticContact CD2-CG 3.53Å; F862-W893 HydrophobicContact CD2-CG 3.53Å; F862-W893 HydrophobicContact CE2-CB 3.85Å; F862-W893 HydrophobicContact CE2-CG 4.21Å; W865-W893 HydrophobicContact CB-CE3 4.11Å; W865-W893 HydrophobicContact CB-CZ3 3.71Å; W865-W893 AromaticContact CD2-CE3 3.67Å; W865-W893 HydrophobicContact CD2-CE3 3.67Å; W865-W893 HydrophobicContact CD2-CZ3 4.15Å; W865-W893 HydrophobicContact CE3-CB 4.21Å; W865-W893 HydrophobicContact CE3-CD2 4.36Å; W865-W893 AromaticContact CE3-CE3 3.65Å; W865-W893 HydrophobicContact CE3-CE3 3.65Å; W865-W893 HydrophobicContact CE3-CZ3 4.43Å; W865-W893 AromaticContact CG-CE3 3.88Å; W865-W893 HydrophobicContact CG-CE3 3.88Å; W865-W893 AromaticContact CG-CZ3 3.84Å; W865-W893 HydrophobicContact CG-CZ3 3.84Å; W865-W893 HydrophobicContact CH2-CB 4.17Å; W865-W893 HydrophobicContact CZ3-CB 3.76Å; W865-W893 HydrophobicContact CZ3-CE3 4.34Å; L889-W893 WeakPolarHBondContact O-CB 3.25Å; L889-W893 PolarHBondContact O-N 3.41Å; A891-W893 PolarHBondContact O-N 3.46Å; W893-M896 HydrophobicContact CE3-CE 3.95Å; W893-M896 HydrophobicContact CE3-SD 4.09Å; W893-M896 HydrophobicContact CZ3-CE 4.02Å; W893-K901 HydrophobicContact CE3-CG 4.41Å; W893-K901 HydrophobicContact CH2-CB 3.95Å; W893-K901 HydrophobicContact CH2-CG 3.77Å; W893-K901 HydrophobicContact CZ2-CB 4.23Å; W893-K901 HydrophobicContact CZ2-CD 4.24Å; W893-K901 HydrophobicContact CZ2-CG 3.87Å; W893-K901 HydrophobicContact CZ3-CG 4.05Å; W893-K901 WeakPolarHBondContact O-CE 3.41Å; W893-K901 PolarHBondContact O-NZ 3.25Å; W893-Y904 HydrophobicContact CH2-CD2 4.47Å; W893-Y904 HydrophobicContact CZ3-CD2 4.17Å; W893-Y904 HydrophobicContact CZ3-CG 4.37Å; W893-Y905 HydrophobicContact CZ2-CE2 4.5Å
894	K	97.3	Very high	97.1	Very high	175 Å²	175	70.9 Å²	70.9	76%	0.761	39%	0.387	S	S	*	.	H	α-helix	trans	-64.1	-44.3	176.6	-77	175.2	178.1	-172.5	0	111.3	G890 A891 K892 K901	G890-K894 WeakPolarHBondContact O-CG 3.28Å; G890-K894 PolarHBondContact O-N 2.99Å; A891-K894 WeakPolarHBondContact O-CB 3.38Å; A891-K894 PolarHBondContact O-N 2.7Å; K892-K894 VanDerWaalsContact C-N 3.32Å; K892-K894 PolarHBondContact O-N 2.92Å; K894-K901 PolarHBondContact O-NZ 2.94Å
895	S	97.1	Very high	97.2	Very high	100 Å²	100	73.8 Å²	73.8	70%	0.699	39%	0.391	S	S	*	.	H	α-helix	trans	-77.4	-15.5	-176	59.5	0	0	0	0	116.3	A891 K892	A891-S895 PolarHBondContact O-N 3.24Å; A891-S895 VanDerWaalsContact O-N 3.14Å; K892-S895 PolarHBondContact O-N 3.41Å; K892-S895 PolarHBondContact O-OG 2.91Å
896	M	96.9	Very high	97.3	Very high	28 Å²	28	79 Å²	79	14%	0.138	42%	0.416	C	S	.	.	S	Bend	trans	-62.8	144.7	173.5	-73.1	155.2	68.1	0	0	112.2	W865 K892 W893 V900 K901 Y904	W865-M896 HydrophobicContact CD2-CE 4.45Å; W865-M896 HydrophobicContact CD2-SD 4.41Å; W865-M896 HydrophobicContact CG-CE 4.36Å; W865-M896 HydrophobicContact CH2-SD 4.43Å; W865-M896 HydrophobicContact CZ2-SD 3.69Å; K892-M896 VanDerWaalsContact O-CG 3.29Å; K892-M896 WeakPolarHBondContact O-CG 3.47Å; K892-M896 PolarHBondContact O-N 3.32Å; W893-M896 HydrophobicContact CE3-CE 3.95Å; W893-M896 HydrophobicContact CE3-SD 4.09Å; W893-M896 HydrophobicContact CZ3-CE 4.02Å; M896-V900 HydrophobicContact CE-CG1 3.76Å; M896-K901 HydrophobicContact CB-CG 4.26Å; M896-K901 WeakPolarHBondContact O-CE 3.47Å; M896-K901 PolarHBondContact O-NZ 3.2Å; M896-Y904 HydrophobicContact CE-CE2 4.49Å
897	S	97.6	Very high	97.4	Very high	50 Å²	50	79.9 Å²	79.9	35%	0.35	42%	0.415	S	S	.	.			trans	-66.1	167.3	174.2	76.6	0	0	0	0	112.1	E899 V900 K901	S897-E899 VanDerWaalsContact C-N 3.34Å; S897-E899 PolarHBondContact OG-OE2 3.28Å; S897-V900 WeakPolarHBondContact OG-CG2 3.46Å; S897-V900 PolarHBondContact OG-N 2.73Å; S897-K901 WeakPolarHBondContact O-CD 3.32Å; S897-K901 VanDerWaalsContact O-CG 3.32Å; S897-K901 WeakPolarHBondContact O-CG 3.37Å; S897-K901 PolarHBondContact O-N 2.92Å
898	A	96.8	Very high	97.4	Very high	79 Å²	79	75.6 Å²	75.6	65%	0.653	40%	0.398	S	S	*	.	H	α-helix	trans	-62	-41.7	174.7	0	0	0	0	0	111.7	V900 K901 Q902	A898-V900 PolarHBondContact O-N 2.97Å; A898-K901 CarbonylContact O-C 3.47Å; A898-K901 WeakPolarHBondContact O-CA 3.35Å; A898-K901 WeakPolarHBondContact O-CB 3.36Å; A898-K901 PolarHBondContact O-N 3.38Å; A898-Q902 PolarHBondContact O-N 3.49Å
899	E	97.4	Very high	97.5	Very high	157 Å²	157	72.6 Å²	72.6	73%	0.734	39%	0.394	S	S	*	.	H	α-helix	trans	-58.8	-46.2	178.9	-57.8	141.3	170.7	0	0	111.7	S897 K901 Q902 P903	S897-E899 VanDerWaalsContact C-N 3.34Å; S897-E899 PolarHBondContact OG-OE2 3.28Å; E899-K901 PolarHBondContact O-N 3Å; E899-Q902 VanDerWaalsContact O-CB 3.29Å; E899-Q902 WeakPolarHBondContact O-CB 3.13Å; E899-Q902 PolarHBondContact O-N 2.96Å; E899-P903 WeakPolarHBondContact O-CD 3.34Å
900	V	97.1	Very high	97.5	Very high	78 Å²	78	77.5 Å²	77.5	47%	0.473	41%	0.412	S	S	.	.	H	α-helix	trans	-70.2	-21.2	179.4	-176.9	0	0	0	0	111.6	M896 S897 A898 Y904	M896-V900 HydrophobicContact CE-CG1 3.76Å; S897-V900 WeakPolarHBondContact OG-CG2 3.46Å; S897-V900 PolarHBondContact OG-N 2.73Å; A898-V900 PolarHBondContact O-N 2.97Å; V900-Y904 WeakPolarHBondContact O-CD2 3.32Å; V900-Y904 VanDerWaalsContact O-CE2 3.28Å; V900-Y904 WeakPolarHBondContact O-CE2 3.4Å
901	K	97.6	Very high	97.5	Very high	30 Å²	30	78.2 Å²	78.2	13%	0.13	41%	0.41	C	S	.	.	H	α-helix	trans	-83.1	-28.4	172.7	-69	164.2	170.7	146.3	0	113	W893 K894 M896 S897 A898 E899 Y904 Y905	W893-K901 HydrophobicContact CE3-CG 4.41Å; W893-K901 HydrophobicContact CH2-CB 3.95Å; W893-K901 HydrophobicContact CH2-CG 3.77Å; W893-K901 HydrophobicContact CZ2-CB 4.23Å; W893-K901 HydrophobicContact CZ2-CD 4.24Å; W893-K901 HydrophobicContact CZ2-CG 3.87Å; W893-K901 HydrophobicContact CZ3-CG 4.05Å; W893-K901 WeakPolarHBondContact O-CE 3.41Å; W893-K901 PolarHBondContact O-NZ 3.25Å; K894-K901 PolarHBondContact O-NZ 2.94Å; M896-K901 HydrophobicContact CB-CG 4.26Å; M896-K901 WeakPolarHBondContact O-CE 3.47Å; M896-K901 PolarHBondContact O-NZ 3.2Å; S897-K901 WeakPolarHBondContact O-CD 3.32Å; S897-K901 VanDerWaalsContact O-CG 3.32Å; S897-K901 WeakPolarHBondContact O-CG 3.37Å; S897-K901 PolarHBondContact O-N 2.92Å; A898-K901 CarbonylContact O-C 3.47Å; A898-K901 WeakPolarHBondContact O-CA 3.35Å; A898-K901 WeakPolarHBondContact O-CB 3.36Å; A898-K901 PolarHBondContact O-N 3.38Å; E899-K901 PolarHBondContact O-N 3Å; K901-Y904 WeakPolarHBondContact O-CB 3.44Å; K901-Y904 PolarHBondContact O-N 3.49Å; K901-Y905 HydrophobicContact CB-CD2 4.04Å; K901-Y905 HydrophobicContact CB-CE2 3.66Å; K901-Y905 WeakPolarHBondContact O-CD2 3.45Å; K901-Y905 PolarHBondContact O-N 3.2Å
902	Q	97.5	Very high	97.4	Very high	91 Å²	91	78.1 Å²	78.1	43%	0.425	41%	0.406	S	S	.	.	H	α-helix	trans	-48.9	-52.2	-173.3	-176.5	59.8	17.1	0	0	115	A898 E899 Y904 Y905 E906	A898-Q902 PolarHBondContact O-N 3.49Å; E899-Q902 VanDerWaalsContact O-CB 3.29Å; E899-Q902 WeakPolarHBondContact O-CB 3.13Å; E899-Q902 PolarHBondContact O-N 2.96Å; Q902-Y904 PolarHBondContact O-N 2.92Å; Q902-Y904 VanDerWaalsContact O-N 3.12Å; Q902-Y905 WeakPolarHBondContact O-CA 3.42Å; Q902-Y905 WeakPolarHBondContact O-CB 3.25Å; Q902-Y905 PolarHBondContact O-N 3.4Å; Q902-E906 WeakPolarHBondContact CG-OE1 3.41Å; Q902-E906 PolarHBondContact NE2-OE1 2.97Å; Q902-E906 PolarHBondContact O-N 3.41Å
903	P	97.8	Very high	97.4	Very high	68 Å²	68	81 Å²	81	44%	0.442	42%	0.415	S	S	.	.	H	α-helix	trans	-62	-25.4	-179.4	23.3	-34.6	0	0	0	113.4	E899 E907	E899-P903 WeakPolarHBondContact O-CD 3.34Å; P903-E907 WeakPolarHBondContact O-CB 3.49Å; P903-E907 PolarHBondContact O-N 2.92Å
904	Y	98	Very high	97.4	Very high	73 Å²	73	82.6 Å²	82.6	29%	0.286	42%	0.424	S	S	.	.	H	α-helix	trans	-79.6	-26.1	175.5	-54.7	-78.7	0	0	0	112.6	A861 I864 W865 W893 M896 V900 K901 Q902 Q908	A861-Y904 WeakPolarHBondContact CA-O 3.49Å; A861-Y904 VanDerWaalsContact CB-O 3.27Å; A861-Y904 WeakPolarHBondContact CB-O 3.29Å; I864-Y904 HydrophobicContact CB-CD1 4.48Å; I864-Y904 HydrophobicContact CG2-CD1 4.03Å; W865-Y904 HydrophobicContact CB-CD1 3.67Å; W865-Y904 HydrophobicContact CB-CD2 4.34Å; W865-Y904 HydrophobicContact CB-CE1 3.75Å; W865-Y904 HydrophobicContact CB-CE2 4.43Å; W865-Y904 HydrophobicContact CB-CG 3.98Å; W865-Y904 AromaticContact CD1-CE2 3.9Å; W865-Y904 AromaticContact CD1-CZ 3.63Å; W865-Y904 HydrophobicContact CG-CE1 4.33Å; W865-Y904 HydrophobicContact CG-CE2 4.5Å; W893-Y904 HydrophobicContact CH2-CD2 4.47Å; W893-Y904 HydrophobicContact CZ3-CD2 4.17Å; W893-Y904 HydrophobicContact CZ3-CG 4.37Å; M896-Y904 HydrophobicContact CE-CE2 4.49Å; V900-Y904 WeakPolarHBondContact O-CD2 3.32Å; V900-Y904 VanDerWaalsContact O-CE2 3.28Å; V900-Y904 WeakPolarHBondContact O-CE2 3.4Å; K901-Y904 WeakPolarHBondContact O-CB 3.44Å; K901-Y904 PolarHBondContact O-N 3.49Å; Q902-Y904 PolarHBondContact O-N 2.92Å; Q902-Y904 VanDerWaalsContact O-N 3.12Å; Y904-Q908 WeakPolarHBondContact O-CB 3.25Å; Y904-Q908 PolarHBondContact O-N 3.44Å
905	Y	98.1	Very high	97.3	Very high	109 Å²	109	75.2 Å²	75.2	43%	0.427	39%	0.392	S	S	.	.	H	α-helix	trans	-73.2	-37.8	168.9	-72.8	-64	0	0	0	111.6	A861 W893 K901 Q902 Q908 A909	A861-Y905 HydrophobicContact CB-CD1 3.64Å; A861-Y905 HydrophobicContact CB-CE1 3.86Å; A861-Y905 HydrophobicContact CB-CG 4.12Å; W893-Y905 HydrophobicContact CZ2-CE2 4.5Å; K901-Y905 HydrophobicContact CB-CD2 4.04Å; K901-Y905 HydrophobicContact CB-CE2 3.66Å; K901-Y905 WeakPolarHBondContact O-CD2 3.45Å; K901-Y905 PolarHBondContact O-N 3.2Å; Q902-Y905 WeakPolarHBondContact O-CA 3.42Å; Q902-Y905 WeakPolarHBondContact O-CB 3.25Å; Q902-Y905 PolarHBondContact O-N 3.4Å; Y905-Q908 WeakPolarHBondContact O-CB 3.42Å; Y905-Q908 PolarHBondContact O-N 3.39Å; Y905-A909 PolarHBondContact O-N 3.3Å
906	E	98	Very high	97.2	Very high	110 Å²	110	76.6 Å²	76.6	51%	0.514	39%	0.389	S	S	.	.	H	α-helix	trans	-65.3	-45.6	174	-70.1	168.8	-173.9	0	0	111.6	Q902 Q908 A909 R910	Q902-E906 WeakPolarHBondContact CG-OE1 3.41Å; Q902-E906 PolarHBondContact NE2-OE1 2.97Å; Q902-E906 PolarHBondContact O-N 3.41Å; E906-Q908 VanDerWaalsContact C-N 3.34Å; E906-Q908 PolarHBondContact O-N 3.09Å; E906-A909 WeakPolarHBondContact O-CB 3.08Å; E906-A909 PolarHBondContact O-N 2.9Å; E906-A909 VanDerWaalsContact O-N 3.11Å; E906-R910 PolarHBondContact O-N 3.41Å
907	E	97.4	Very high	97.1	Very high	60 Å²	60	81.5 Å²	81.5	28%	0.28	41%	0.411	S	S	.	.	H	α-helix	trans	-66.1	-34.2	174	179.4	59.1	-170.9	0	0	112.2	I864 P903 R910 L911	I864-E907 HydrophobicContact CD1-CB 4.25Å; I864-E907 HydrophobicContact CD1-CG 3.97Å; I864-E907 HydrophobicContact CG2-CG 4.02Å; P903-E907 WeakPolarHBondContact O-CB 3.49Å; P903-E907 PolarHBondContact O-N 2.92Å; E907-R910 PolarHBondContact O-N 3.38Å; E907-R910 IonicContact OE1-CZ 3.92Å; E907-R910 IonicContact OE1-NE 2.67Å; E907-R910 IonicContact OE1-NH2 2.93Å; E907-R910 PolarHBondContact OE1-NH2 2.75Å; E907-R910 IonicContact OE2-CZ 3.15Å; E907-R910 IonicContact OE2-NE 2.69Å; E907-R910 PolarHBondContact OE2-NE 2.61Å; E907-R910 IonicContact OE2-NH2 2.77Å; E907-R910 PolarHBondContact OE2-NH2 2.88Å; E907-L911 HydrophobicContact CG-CD1 4.08Å; E907-L911 HydrophobicContact CG-CG 4.45Å; E907-L911 WeakPolarHBondContact O-CB 3.41Å; E907-L911 WeakPolarHBondContact O-CG 3.06Å; E907-L911 PolarHBondContact O-N 2.93Å; E907-L911 WeakPolarHBondContact OE1-CG 3.18Å
908	Q	97.9	Very high	97	Very high	69 Å²	69	84.2 Å²	84.2	32%	0.322	42%	0.418	S	S	.	.	H	α-helix	trans	-60.1	-45.6	168.6	171.2	-176.7	-45.6	0	0	111.1	N860 A861 I864 Y904 Y905 E906 S912	N860-Q908 VanDerWaalsContact CA-OE1 3.31Å; A861-Q908 HydrophobicContact CB-CB 4.4Å; I864-Q908 HydrophobicContact CD1-CB 3.98Å; Y904-Q908 WeakPolarHBondContact O-CB 3.25Å; Y904-Q908 PolarHBondContact O-N 3.44Å; Y905-Q908 WeakPolarHBondContact O-CB 3.42Å; Y905-Q908 PolarHBondContact O-N 3.39Å; E906-Q908 VanDerWaalsContact C-N 3.34Å; E906-Q908 PolarHBondContact O-N 3.09Å; Q908-S912 VanDerWaalsContact O-CB 3.23Å; Q908-S912 WeakPolarHBondContact O-CB 3.43Å; Q908-S912 PolarHBondContact O-N 3.22Å
909	A	97.8	Very high	96.9	Very high	51 Å²	51	83.7 Å²	83.7	42%	0.421	40%	0.402	S	S	.	.	H	α-helix	trans	-64.9	-41.5	179.6	0	0	0	0	0	111.3	Y905 E906 S912 R913	Y905-A909 PolarHBondContact O-N 3.3Å; E906-A909 WeakPolarHBondContact O-CB 3.08Å; E906-A909 PolarHBondContact O-N 2.9Å; E906-A909 VanDerWaalsContact O-N 3.11Å; A909-S912 PolarHBondContact O-N 3.38Å; A909-R913 WeakPolarHBondContact O-CB 3.33Å; A909-R913 PolarHBondContact O-N 3.3Å
910	R	98	Very high	96.7	Very high	102 Å²	102	81.5 Å²	81.5	39%	0.385	40%	0.402	S	S	.	.	H	α-helix	trans	-60.8	-51.8	175.1	-163.6	-164.9	66.6	68.6	5.1	111.6	E906 E907 S912 R913 Q914	E906-R910 PolarHBondContact O-N 3.41Å; E907-R910 PolarHBondContact O-N 3.38Å; E907-R910 IonicContact OE1-CZ 3.92Å; E907-R910 IonicContact OE1-NE 2.67Å; E907-R910 IonicContact OE1-NH2 2.93Å; E907-R910 PolarHBondContact OE1-NH2 2.75Å; E907-R910 IonicContact OE2-CZ 3.15Å; E907-R910 IonicContact OE2-NE 2.69Å; E907-R910 PolarHBondContact OE2-NE 2.61Å; E907-R910 IonicContact OE2-NH2 2.77Å; E907-R910 PolarHBondContact OE2-NH2 2.88Å; R910-S912 VanDerWaalsContact C-N 3.34Å; R910-S912 PolarHBondContact O-N 3.34Å; R910-R913 PolarHBondContact O-N 3.35Å; R910-Q914 WeakPolarHBondContact O-CB 3.45Å; R910-Q914 PolarHBondContact O-N 3.34Å
911	L	97.3	Very high	96.4	Very high	40 Å²	40	82.6 Å²	82.6	21%	0.209	42%	0.419	C	S	.	.	H	α-helix	trans	-63.9	-36.1	177.8	-73.2	172.2	0	0	0	112.7	M859 I864 E907 H915	M859-L911 HydrophobicContact CB-CD1 4.21Å; I864-L911 HydrophobicContact CD1-CD1 3.95Å; I864-L911 HydrophobicContact CG1-CD1 4.13Å; E907-L911 HydrophobicContact CG-CD1 4.08Å; E907-L911 HydrophobicContact CG-CG 4.45Å; E907-L911 WeakPolarHBondContact O-CB 3.41Å; E907-L911 WeakPolarHBondContact O-CG 3.06Å; E907-L911 PolarHBondContact O-N 2.93Å; E907-L911 WeakPolarHBondContact OE1-CG 3.18Å; L911-H915 WeakPolarHBondContact O-CB 3.19Å; L911-H915 PolarHBondContact O-N 3.32Å
912	S	95.9	Very high	96.2	Very high	58 Å²	58	84.3 Å²	84.3	41%	0.406	43%	0.425	S	S	.	.	H	α-helix	trans	-71	-30.6	176.9	-167.5	0	0	0	0	112.8	Q908 A909 R910 M916	Q908-S912 VanDerWaalsContact O-CB 3.23Å; Q908-S912 WeakPolarHBondContact O-CB 3.43Å; Q908-S912 PolarHBondContact O-N 3.22Å; A909-S912 PolarHBondContact O-N 3.38Å; R910-S912 VanDerWaalsContact C-N 3.34Å; R910-S912 PolarHBondContact O-N 3.34Å; S912-M916 PolarHBondContact O-N 2.81Å
913	R	96.3	Very high	95.8	Very high	141 Å²	141	89.7 Å²	89.7	53%	0.532	44%	0.442	S	S	.	.	H	α-helix	trans	-72.9	-53.4	174.3	-163.5	-165.1	-60.9	125.8	3.5	110.7	A909 R910 H915 M916 E917	A909-R913 WeakPolarHBondContact O-CB 3.33Å; A909-R913 PolarHBondContact O-N 3.3Å; R910-R913 PolarHBondContact O-N 3.35Å; R913-H915 PolarHBondContact O-N 3.16Å; R913-M916 WeakPolarHBondContact O-CA 3.15Å; R913-M916 WeakPolarHBondContact O-CB 3.26Å; R913-M916 PolarHBondContact O-N 3.21Å; R913-E917 VanDerWaalsContact CD-OE1 3.26Å; R913-E917 WeakPolarHBondContact CD-OE1 3.29Å; R913-E917 VanDerWaalsContact CG-OE1 3.27Å; R913-E917 WeakPolarHBondContact CG-OE1 3.07Å; R913-E917 WeakPolarHBondContact O-CG 3.23Å; R913-E917 PolarHBondContact O-N 2.82Å
914	Q	96.8	Very high	95.4	Very high	66 Å²	66	91.7 Å²	91.7	31%	0.308	44%	0.441	S	S	.	.	H	α-helix	trans	-50.8	-45.1	175.4	177.8	179.1	-8.8	0	0	111.5	R910 M916 E917 E918	R910-Q914 WeakPolarHBondContact O-CB 3.45Å; R910-Q914 PolarHBondContact O-N 3.34Å; Q914-M916 VanDerWaalsContact C-N 3.3Å; Q914-M916 PolarHBondContact O-N 3.13Å; Q914-E917 PolarHBondContact O-N 3.22Å; Q914-E918 HydrophobicContact CG-CG 4.33Å; Q914-E918 VanDerWaalsContact CG-OE1 3.29Å; Q914-E918 WeakPolarHBondContact CG-OE1 3.36Å; Q914-E918 PolarHBondContact NE2-OE1 3.02Å; Q914-E918 WeakPolarHBondContact O-CB 3.28Å; Q914-E918 VanDerWaalsContact O-CG 3.3Å; Q914-E918 WeakPolarHBondContact O-CG 3.39Å; Q914-E918 PolarHBondContact O-N 3.31Å
915	H	96.8	Very high	94.9	Very high	20 Å²	20	97.8 Å²	97.8	9%	0.093	46%	0.464	C	S	.	.	H	α-helix	trans	-64.3	-31	178.4	-173.8	76.5	0	0	0	114.3	I855 K856 P858 L911 R913 H919 Y922	I855-H915 WeakPolarHBondContact CG2-CE1 3.36Å; K856-H915 PolarHBondContact O-CE1 3.13Å; P858-H915 HydrophobicContact CB-CB 3.96Å; P858-H915 HydrophobicContact CG-CB 4.19Å; L911-H915 WeakPolarHBondContact O-CB 3.19Å; L911-H915 PolarHBondContact O-N 3.32Å; R913-H915 PolarHBondContact O-N 3.16Å; H915-H919 AromaticContact CE1-CD2 3.56Å; H915-H919 AromaticContact ND1-CD2 3.84Å; H915-H919 WeakPolarHBondContact O-CB 3.17Å; H915-H919 PolarHBondContact O-N 2.76Å; H915-H919 VanDerWaalsContact O-N 3.07Å; H915-Y922 AromaticContact CD2-CD1 3.98Å; H915-Y922 AromaticContact NE2-CD1 3.54Å; H915-Y922 AromaticContact NE2-CE1 3.75Å; H915-Y922 AromaticContact NE2-CG 3.69Å
916	M	94.4	Very high	94.2	Very high	129 Å²	129	96.6 Å²	96.6	64%	0.635	47%	0.469	S	S	*	.	H	α-helix	trans	-80.7	-29.4	177.8	-170.1	169.5	62.7	0	0	111.7	S912 R913 Q914 H919 P920	S912-M916 PolarHBondContact O-N 2.81Å; R913-M916 WeakPolarHBondContact O-CA 3.15Å; R913-M916 WeakPolarHBondContact O-CB 3.26Å; R913-M916 PolarHBondContact O-N 3.21Å; Q914-M916 VanDerWaalsContact C-N 3.3Å; Q914-M916 PolarHBondContact O-N 3.13Å; M916-H919 CarbonylContact O-C 3.46Å; M916-P920 WeakPolarHBondContact O-CA 3.32Å
917	E	95.5	Very high	93.3	Very high	130 Å²	130	99.9 Å²	99.9	61%	0.607	48%	0.477	S	S	*	.	H	α-helix	trans	-71.2	-45.4	171.1	-67.3	160.3	178.4	0	0	111.3	R913 Q914 H919	R913-E917 VanDerWaalsContact CD-OE1 3.26Å; R913-E917 WeakPolarHBondContact CD-OE1 3.29Å; R913-E917 VanDerWaalsContact CG-OE1 3.27Å; R913-E917 WeakPolarHBondContact CG-OE1 3.07Å; R913-E917 WeakPolarHBondContact O-CG 3.23Å; R913-E917 PolarHBondContact O-N 2.82Å; Q914-E917 PolarHBondContact O-N 3.22Å; E917-H919 VanDerWaalsContact C-N 3.34Å; E917-H919 PolarHBondContact O-N 3.24Å
918	E	95.5	Very high	92.2	Very high	107 Å²	107	102.6 Å²	102.6	50%	0.5	50%	0.5	S	S	.	.	H	α-helix	trans	-67	-31.9	175.9	-72.7	170.4	177.3	0	0	112.7	Q914	Q914-E918 HydrophobicContact CG-CG 4.33Å; Q914-E918 VanDerWaalsContact CG-OE1 3.29Å; Q914-E918 WeakPolarHBondContact CG-OE1 3.36Å; Q914-E918 PolarHBondContact NE2-OE1 3.02Å; Q914-E918 WeakPolarHBondContact O-CB 3.28Å; Q914-E918 VanDerWaalsContact O-CG 3.3Å; Q914-E918 WeakPolarHBondContact O-CG 3.39Å; Q914-E918 PolarHBondContact O-N 3.31Å
919	H	93.8	Very high	90.9	Very high	68 Å²	68	108.5 Å²	108.5	32%	0.315	53%	0.525	S	S	.	.			trans	-137.6	68.9	-174.2	-55.4	-34.5	0	0	0	112.8	I855 H915 M916 E917 A921 Y922	I855-H919 HydrophobicContact CD1-CB 4.12Å; I855-H919 WeakPolarHBondContact CG2-CD2 3.46Å; H915-H919 AromaticContact CE1-CD2 3.56Å; H915-H919 AromaticContact ND1-CD2 3.84Å; H915-H919 WeakPolarHBondContact O-CB 3.17Å; H915-H919 PolarHBondContact O-N 2.76Å; H915-H919 VanDerWaalsContact O-N 3.07Å; M916-H919 CarbonylContact O-C 3.46Å; E917-H919 VanDerWaalsContact C-N 3.34Å; E917-H919 PolarHBondContact O-N 3.24Å; H919-A921 PolarHBondContact O-N 2.73Å; H919-A921 VanDerWaalsContact O-N 3.12Å; H919-Y922 WeakPolarHBondContact O-CB 3.4Å; H919-Y922 PolarHBondContact O-N 2.87Å
920	P	93.3	Very high	89.7	Confident	112 Å²	112	116.4 Å²	116.4	73%	0.727	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.5	-176.8	24.2	-34.8	0	0	0	114	M916 Y922	M916-P920 WeakPolarHBondContact O-CA 3.32Å; P920-Y922 VanDerWaalsContact C-N 3.33Å
921	A	90.7	Very high	88.7	Confident	101 Å²	101	114.4 Å²	114.4	84%	0.835	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	2.7	173.8	0	0	0	0	0	114	H919 R923	H919-A921 PolarHBondContact O-N 2.73Å; H919-A921 VanDerWaalsContact O-N 3.12Å; A921-R923 PolarHBondContact O-N 2.89Å
922	Y	92.7	Very high	87.7	Confident	66 Å²	66	113.7 Å²	113.7	26%	0.259	54%	0.54	S	S	.	.			trans	-70.8	114.3	-178.6	177.4	-101.3	0	0	0	111.9	I855 H915 H919 P920	I855-Y922 HydrophobicContact CB-CD2 3.77Å; I855-Y922 HydrophobicContact CB-CE2 4.01Å; I855-Y922 HydrophobicContact CD1-CD2 4.12Å; I855-Y922 HydrophobicContact CG2-CD2 3.37Å; I855-Y922 HydrophobicContact CG2-CE2 3.67Å; I855-Y922 HydrophobicContact CG2-CG 4.14Å; H915-Y922 AromaticContact CD2-CD1 3.98Å; H915-Y922 AromaticContact NE2-CD1 3.54Å; H915-Y922 AromaticContact NE2-CE1 3.75Å; H915-Y922 AromaticContact NE2-CG 3.69Å; H919-Y922 WeakPolarHBondContact O-CB 3.4Å; H919-Y922 PolarHBondContact O-N 2.87Å; P920-Y922 VanDerWaalsContact C-N 3.33Å
923	R	89.3	Confident	86.9	Confident	204 Å²	204	111.7 Å²	111.7	77%	0.77	53%	0.525	S	S	*	.			trans	-116.9	123.9	166.8	-173.8	169.8	178	169.1	-0.3	109.4	A921 R925	A921-R923 PolarHBondContact O-N 2.89Å; R923-R925 PolarHBondContact O-N 3.36Å
924	Y	90.7	Very high	86	Confident	109 Å²	109	105.8 Å²	105.8	43%	0.427	51%	0.505	S	S	.	.			trans	-59.9	113.1	174.6	166.7	-128.3	0	0	0	110.7	R857 P926	R857-Y924 VanDerWaalsContact CZ-CZ 3.48Å; R857-Y924 VanDerWaalsContact NH1-CE2 3.31Å; R857-Y924 VanDerWaalsContact NH1-CZ 3.25Å; R857-Y924 PolarHBondContact NH2-OH 2.94Å; Y924-P926 HydrophobicContact CE1-CG 3.79Å; Y924-P926 HydrophobicContact CE2-CB 4.31Å; Y924-P926 HydrophobicContact CE2-CG 4.2Å; Y924-P926 WeakPolarHBondContact OH-CB 3.45Å
925	R	86.1	Confident	85.1	Confident	202 Å²	202	107 Å²	107	76%	0.762	51%	0.514	S	S	*	.			trans	-106.4	110.4	170.7	-61.3	-177.6	-168.6	-161.9	2.1	108.4	R923 R927	R923-R925 PolarHBondContact O-N 3.36Å; R925-R927 PolarHBondContact O-N 3.47Å
926	P	83.1	Confident	84.3	Confident	84 Å²	84	107.4 Å²	107.4	55%	0.545	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-56.1	126.7	173.4	-19.5	27.7	0	0	0	110.5	Y924 P928	Y924-P926 HydrophobicContact CE1-CG 3.79Å; Y924-P926 HydrophobicContact CE2-CB 4.31Å; Y924-P926 HydrophobicContact CE2-CG 4.2Å; Y924-P926 WeakPolarHBondContact OH-CB 3.45Å; P926-P928 WeakPolarHBondContact O-CD 3.44Å
927	R	79.2	Confident	83.7	Confident	178 Å²	178	106.9 Å²	106.9	67%	0.672	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-69.1	124.2	166.5	-67.8	-175.5	-178	-120.3	2	107.5	H854 R925 K929	H854-R927 PolarHBondContact CD2-NH2 3.31Å; H854-R927 PolarHBondContact CE1-NH2 3.34Å; H854-R927 PolarHBondContact ND1-NH2 2.87Å; H854-R927 PolarHBondContact NE2-NE 3.3Å; H854-R927 PolarHBondContact NE2-NH2 3.07Å; R925-R927 PolarHBondContact O-N 3.47Å; R927-K929 PolarHBondContact O-N 3.45Å
928	P	74.7	Confident	83	Confident	118 Å²	118	106.9 Å²	106.9	77%	0.766	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-53.4	138.6	176	-27.6	35.9	0	0	0	111.2	P926 R930	P926-P928 WeakPolarHBondContact O-CD 3.44Å; P928-R930 PolarHBondContact O-N 3Å
929	K	70.6	Confident	82.3	Confident	193 Å²	193	102.9 Å²	102.9	84%	0.839	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-55.1	126.1	170.7	-67.5	177.4	-179	173.7	0	107.1	R927 T931	R927-K929 PolarHBondContact O-N 3.45Å; K929-T931 PolarHBondContact O-N 3.28Å
930	R	72.1	Confident	81.9	Confident	217 Å²	217	107.4 Å²	107.4	82%	0.819	51%	0.507	S	S	*	.			trans	-55.2	105.6	-174.1	-57.4	-180	-167.9	151.6	1.1	109.9	P928 I941	P928-R930 PolarHBondContact O-N 3Å; R930-I941 HydrophobicContact CB-CD1 4.3Å; R930-I941 WeakPolarHBondContact O-CG1 3.38Å
931	T	78.9	Confident	81.2	Confident	59 Å²	59	105.7 Å²	105.7	36%	0.362	49%	0.491	S	S	.	.			trans	-78	135.6	170.4	49.4	0	0	0	0	109.2	K929 K938 L939	K929-T931 PolarHBondContact O-N 3.28Å; T931-K938 HydrophobicContact CG2-CG 4.04Å; T931-K938 VanDerWaalsContact OG1-CE 3.25Å; T931-K938 WeakPolarHBondContact OG1-CE 3.45Å; T931-L939 CarbonylContact C-O 3.54Å; T931-L939 VanDerWaalsContact CA-O 3.24Å; T931-L939 WeakPolarHBondContact CA-O 3.44Å; T931-L939 WeakPolarHBondContact CB-O 3.24Å
932	C	75.1	Confident	80.9	Confident	25 Å²	25	104.1 Å²	104.1	17%	0.169	47%	0.474	C	S	.	.			trans	-118.8	89.1	-177.4	30.4	0	0	0	0	107.9	V934 L939 Y944	C932-V934 PolarHBondContact O-N 3.07Å; C932-L939 PolarHBondContact N-O 3.04Å; C932-Y944 HydrophobicContact CB-CD1 4.31Å; C932-Y944 HydrophobicContact CB-CG 4.16Å; C932-Y944 WeakPolarHBondContact SG-CB 3.42Å
933	I	79.7	Confident	80.6	Confident	17 Å²	17	103.8 Å²	103.8	9%	0.087	48%	0.475	C	S	.	.			trans	-63.1	132.8	-175.8	-48.6	94.2	0	0	0	110	K396 L397 G936 R937 K938	K396-I933 HydrophobicContact CB-CB 3.79Å; K396-I933 HydrophobicContact CB-CD1 3.84Å; K396-I933 HydrophobicContact CB-CG1 4.25Å; K396-I933 HydrophobicContact CB-CG2 4.43Å; K396-I933 HydrophobicContact CD-CB 4.14Å; K396-I933 HydrophobicContact CD-CD1 4.36Å; K396-I933 VanDerWaalsContact CD-O 3.25Å; K396-I933 WeakPolarHBondContact CD-O 3.39Å; K396-I933 VanDerWaalsContact CE-O 3.23Å; K396-I933 WeakPolarHBondContact CE-O 3.35Å; K396-I933 HydrophobicContact CG-CB 4.1Å; K396-I933 PolarHBondContact NZ-O 3.11Å; K396-I933 WeakPolarHBondContact O-CB 3.35Å; K396-I933 WeakPolarHBondContact O-CD1 3.14Å; K396-I933 WeakPolarHBondContact O-CG1 3.35Å; K396-I933 WeakPolarHBondContact O-CG2 3.27Å; L397-I933 HydrophobicContact CG-CG1 4.47Å; I933-G936 VanDerWaalsContact CG2-O 3.26Å; I933-G936 WeakPolarHBondContact CG2-O 3.4Å; I933-R937 CarbonylContact C-O 3.21Å; I933-R937 WeakPolarHBondContact CA-O 3.48Å; I933-R937 WeakPolarHBondContact CG2-O 3.36Å; I933-K938 HydrophobicContact CD1-CG 4.47Å; I933-K938 HydrophobicContact CG1-CB 3.91Å; I933-K938 HydrophobicContact CG1-CG 3.82Å
934	V	76.7	Confident	80.4	Confident	16 Å²	16	97.9 Å²	97.9	10%	0.097	45%	0.454	C	S	.	.	B	Isolated β-bridge	trans	-137.3	137.1	176.4	179	0	0	0	0	108	C932 G936 R937 L939 Y944 L947	C932-V934 PolarHBondContact O-N 3.07Å; V934-G936 VanDerWaalsContact C-N 3.32Å; V934-G936 PolarHBondContact O-N 3.26Å; V934-R937 PolarHBondContact N-O 3.03Å; V934-R937 PolarHBondContact O-N 2.92Å; V934-L939 HydrophobicContact CB-CD1 4.03Å; V934-L939 HydrophobicContact CG2-CD1 4.39Å; V934-Y944 HydrophobicContact CG2-CD2 3.56Å; V934-Y944 HydrophobicContact CG2-CE2 3.71Å; V934-L947 HydrophobicContact CB-CD2 3.93Å; V934-L947 HydrophobicContact CG1-CD2 3.58Å
935	D	78.6	Confident	80.1	Confident	93 Å²	93	98.9 Å²	98.9	50%	0.497	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	50.4	-175.3	-35.8	-35.1	0	0	0	111.5	R937 R951	D935-R937 PolarHBondContact O-N 2.98Å; D935-R937 IonicContact OD2-NH2 2.73Å; D935-R951 IonicContact OD1-CZ 2.61Å; D935-R951 IonicContact OD1-NH2 3.88Å; D935-R951 PolarHBondContact OD1-NH2 3.14Å; D935-R951 IonicContact OD2-CZ 3.59Å; D935-R951 IonicContact OD2-NH2 2.66Å; D935-R951 PolarHBondContact OD2-NH2 2.84Å
936	G	80	Confident	80.2	Confident	27 Å²	27	95 Å²	95	28%	0.278	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	-21.6	-175.7	0	0	0	0	0	116.3	I933 V934	I933-G936 VanDerWaalsContact CG2-O 3.26Å; I933-G936 WeakPolarHBondContact CG2-O 3.4Å; V934-G936 VanDerWaalsContact C-N 3.32Å; V934-G936 PolarHBondContact O-N 3.26Å
937	R	81	Confident	80.4	Confident	119 Å²	119	92.9 Å²	92.9	45%	0.449	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-90.3	130.3	-171.1	-65.2	177.8	-66.2	165.6	-1.7	113.4	N400 I933 V934 D935 L939	N400-R937 WeakPolarHBondContact OD1-CG 3.17Å; I933-R937 CarbonylContact C-O 3.21Å; I933-R937 WeakPolarHBondContact CA-O 3.48Å; I933-R937 WeakPolarHBondContact CG2-O 3.36Å; V934-R937 PolarHBondContact N-O 3.03Å; V934-R937 PolarHBondContact O-N 2.92Å; D935-R937 PolarHBondContact O-N 2.98Å; D935-R937 IonicContact OD2-NH2 2.73Å; R937-L939 HydrophobicContact CB-CD2 4.35Å; R937-L939 PolarHBondContact O-N 3.04Å
938	K	82.3	Confident	80.4	Confident	130 Å²	130	87.5 Å²	87.5	57%	0.565	42%	0.418	S	S	*	.			trans	-80.6	76.9	-170.6	-173.1	-178.4	-178.5	176.1	0	113.6	L397 T931 I933	L397-K938 HydrophobicContact CD1-CD 4.48Å; T931-K938 HydrophobicContact CG2-CG 4.04Å; T931-K938 VanDerWaalsContact OG1-CE 3.25Å; T931-K938 WeakPolarHBondContact OG1-CE 3.45Å; I933-K938 HydrophobicContact CD1-CG 4.47Å; I933-K938 HydrophobicContact CG1-CB 3.91Å; I933-K938 HydrophobicContact CG1-CG 3.82Å
939	L	80.6	Confident	80.9	Confident	22 Å²	22	90 Å²	90	12%	0.115	41%	0.412	C	S	.	.			trans	-71.8	144.4	-176.3	-51.5	-176.7	0	0	0	114.1	T931 C932 V934 R937 E943 L947	T931-L939 CarbonylContact C-O 3.54Å; T931-L939 VanDerWaalsContact CA-O 3.24Å; T931-L939 WeakPolarHBondContact CA-O 3.44Å; T931-L939 WeakPolarHBondContact CB-O 3.24Å; C932-L939 PolarHBondContact N-O 3.04Å; V934-L939 HydrophobicContact CB-CD1 4.03Å; V934-L939 HydrophobicContact CG2-CD1 4.39Å; R937-L939 HydrophobicContact CB-CD2 4.35Å; R937-L939 PolarHBondContact O-N 3.04Å; L939-E943 VanDerWaalsContact CA-OE2 3.3Å; L939-E943 WeakPolarHBondContact CA-OE2 3.35Å; L939-E943 HydrophobicContact CB-CB 3.99Å; L939-E943 HydrophobicContact CD2-CB 4.26Å; L939-L947 HydrophobicContact CD1-CB 4.39Å; L939-L947 HydrophobicContact CD1-CD2 3.64Å
940	R	84.1	Confident	81.5	Confident	163 Å²	163	83.8 Å²	83.8	62%	0.615	39%	0.393	S	S	*	.			trans	-69.4	164.7	160.2	-58.4	-177.3	-177.8	89.8	-10.8	110.3	S942 E943 Y944	R940-S942 PolarHBondContact O-N 2.71Å; R940-E943 HydrophobicContact CB-CG 4.37Å; R940-E943 WeakPolarHBondContact CB-OE1 3.47Å; R940-E943 WeakPolarHBondContact CD-OE1 3.13Å; R940-E943 WeakPolarHBondContact CG-OE1 3.37Å; R940-E943 IonicContact CZ-OE1 3.84Å; R940-E943 PolarHBondContact N-OE2 3.16Å; R940-E943 IonicContact NE-OE1 2.7Å; R940-E943 IonicContact NH1-OE1 3.84Å; R940-E943 PolarHBondContact NH1-OE1 3.31Å; R940-E943 PolarHBondContact O-N 3.02Å; R940-Y944 WeakPolarHBondContact O-CB 3.36Å; R940-Y944 PolarHBondContact O-N 3.33Å
941	I	80.1	Confident	82	Confident	76 Å²	76	78.7 Å²	78.7	39%	0.39	37%	0.373	S	S	.	.	H	α-helix	trans	-63.6	-30.2	-179.8	-61.8	163.8	0	0	0	112.2	R930 K945	R930-I941 HydrophobicContact CB-CD1 4.3Å; R930-I941 WeakPolarHBondContact O-CG1 3.38Å; I941-K945 HydrophobicContact CG2-CD 4.29Å; I941-K945 WeakPolarHBondContact O-CB 3.48Å; I941-K945 VanDerWaalsContact O-CG 3.24Å; I941-K945 WeakPolarHBondContact O-CG 3.24Å; I941-K945 PolarHBondContact O-N 3.42Å; I941-K945 VanDerWaalsContact O-N 3.1Å
942	S	82.6	Confident	81.9	Confident	68 Å²	68	77.7 Å²	77.7	48%	0.476	38%	0.375	S	S	.	.	H	α-helix	trans	-63.8	-62.8	172.1	38.9	0	0	0	0	110.6	R940 Y944 K945 E946	R940-S942 PolarHBondContact O-N 2.71Å; S942-Y944 PolarHBondContact O-N 2.67Å; S942-K945 WeakPolarHBondContact O-CA 3.44Å; S942-K945 WeakPolarHBondContact O-CB 3.35Å; S942-K945 PolarHBondContact O-N 3.32Å; S942-E946 PolarHBondContact O-N 2.91Å
943	E	86.3	Confident	81.9	Confident	59 Å²	59	80.5 Å²	80.5	28%	0.276	39%	0.388	S	S	.	.	H	α-helix	trans	-52.1	-40.3	178.3	-64.7	148.4	-146.7	0	0	112.4	L939 R940 E946 L947	L939-E943 VanDerWaalsContact CA-OE2 3.3Å; L939-E943 WeakPolarHBondContact CA-OE2 3.35Å; L939-E943 HydrophobicContact CB-CB 3.99Å; L939-E943 HydrophobicContact CD2-CB 4.26Å; R940-E943 HydrophobicContact CB-CG 4.37Å; R940-E943 WeakPolarHBondContact CB-OE1 3.47Å; R940-E943 WeakPolarHBondContact CD-OE1 3.13Å; R940-E943 WeakPolarHBondContact CG-OE1 3.37Å; R940-E943 IonicContact CZ-OE1 3.84Å; R940-E943 PolarHBondContact N-OE2 3.16Å; R940-E943 IonicContact NE-OE1 2.7Å; R940-E943 IonicContact NH1-OE1 3.84Å; R940-E943 PolarHBondContact NH1-OE1 3.31Å; R940-E943 PolarHBondContact O-N 3.02Å; E943-E946 WeakPolarHBondContact O-CB 3.4Å; E943-E946 PolarHBondContact O-N 3.41Å; E943-L947 WeakPolarHBondContact O-CB 3.3Å; E943-L947 PolarHBondContact O-N 3.47Å
944	Y	85.7	Confident	81.6	Confident	81 Å²	81	82.1 Å²	82.1	32%	0.318	40%	0.402	S	S	.	.	H	α-helix	trans	-66.7	-43.8	174.4	172.4	-112.3	0	0	0	113	C932 V934 R940 S942 E946 L947 M948	C932-Y944 HydrophobicContact CB-CD1 4.31Å; C932-Y944 HydrophobicContact CB-CG 4.16Å; C932-Y944 WeakPolarHBondContact SG-CB 3.42Å; V934-Y944 HydrophobicContact CG2-CD2 3.56Å; V934-Y944 HydrophobicContact CG2-CE2 3.71Å; R940-Y944 WeakPolarHBondContact O-CB 3.36Å; R940-Y944 PolarHBondContact O-N 3.33Å; S942-Y944 PolarHBondContact O-N 2.67Å; Y944-E946 VanDerWaalsContact C-N 3.29Å; Y944-E946 PolarHBondContact O-N 3.04Å; Y944-L947 PolarHBondContact O-N 2.84Å; Y944-M948 HydrophobicContact CD1-CG 4.5Å; Y944-M948 HydrophobicContact CD2-CE 4.15Å; Y944-M948 HydrophobicContact CD2-CG 3.96Å; Y944-M948 HydrophobicContact CD2-SD 4.42Å; Y944-M948 HydrophobicContact CE1-CG 4.06Å; Y944-M948 HydrophobicContact CE2-CE 3.71Å; Y944-M948 HydrophobicContact CE2-CG 3.45Å; Y944-M948 VanDerWaalsContact CE2-CG 3.45Å; Y944-M948 HydrophobicContact CE2-SD 3.57Å; Y944-M948 VanDerWaalsContact CE2-SD 3.57Å; Y944-M948 HydrophobicContact CG-CG 4.45Å; Y944-M948 VanDerWaalsContact CZ-CG 3.5Å; Y944-M948 WeakPolarHBondContact O-CB 3.46Å; Y944-M948 VanDerWaalsContact O-CG 3.26Å; Y944-M948 WeakPolarHBondContact O-CG 3.26Å; Y944-M948 PolarHBondContact O-N 3.35Å
945	K	85.3	Confident	81.3	Confident	129 Å²	129	84.7 Å²	84.7	56%	0.561	42%	0.417	S	S	*	.	H	α-helix	trans	-62.7	-38.4	174.6	-78.6	173.4	172.9	-170.6	0	111.6	I941 S942 M948 R949	I941-K945 HydrophobicContact CG2-CD 4.29Å; I941-K945 WeakPolarHBondContact O-CB 3.48Å; I941-K945 VanDerWaalsContact O-CG 3.24Å; I941-K945 WeakPolarHBondContact O-CG 3.24Å; I941-K945 PolarHBondContact O-N 3.42Å; I941-K945 VanDerWaalsContact O-N 3.1Å; S942-K945 WeakPolarHBondContact O-CA 3.44Å; S942-K945 WeakPolarHBondContact O-CB 3.35Å; S942-K945 PolarHBondContact O-N 3.32Å; K945-M948 PolarHBondContact O-N 2.89Å; K945-R949 WeakPolarHBondContact O-CB 3.31Å; K945-R949 VanDerWaalsContact O-CG 3.3Å; K945-R949 WeakPolarHBondContact O-CG 3.41Å; K945-R949 PolarHBondContact O-N 2.73Å
946	E	87.7	Confident	80.7	Confident	122 Å²	122	88.7 Å²	88.7	57%	0.57	43%	0.425	S	S	*	.	H	α-helix	trans	-61.4	-49.9	174.8	-148.9	103.5	-108.7	0	0	110.9	S942 E943 Y944 M948 R949 S950	S942-E946 PolarHBondContact O-N 2.91Å; E943-E946 WeakPolarHBondContact O-CB 3.4Å; E943-E946 PolarHBondContact O-N 3.41Å; Y944-E946 VanDerWaalsContact C-N 3.29Å; Y944-E946 PolarHBondContact O-N 3.04Å; E946-M948 PolarHBondContact O-N 2.99Å; E946-R949 WeakPolarHBondContact O-CB 3.29Å; E946-R949 PolarHBondContact O-N 2.92Å; E946-S950 WeakPolarHBondContact O-CB 3.43Å; E946-S950 PolarHBondContact O-N 3.01Å
947	L	86.5	Confident	80.1	Confident	38 Å²	38	94.7 Å²	94.7	20%	0.199	44%	0.439	C	S	.	.	H	α-helix	trans	-62.4	-40.3	176.8	-178.6	62.6	0	0	0	112.2	V934 L939 E943 Y944 R951	V934-L947 HydrophobicContact CB-CD2 3.93Å; V934-L947 HydrophobicContact CG1-CD2 3.58Å; L939-L947 HydrophobicContact CD1-CB 4.39Å; L939-L947 HydrophobicContact CD1-CD2 3.64Å; E943-L947 WeakPolarHBondContact O-CB 3.3Å; E943-L947 PolarHBondContact O-N 3.47Å; Y944-L947 PolarHBondContact O-N 2.84Å; L947-R951 HydrophobicContact CD1-CG 4.43Å; L947-R951 WeakPolarHBondContact O-CB 3.39Å; L947-R951 VanDerWaalsContact O-CG 3.31Å; L947-R951 WeakPolarHBondContact O-CG 3.22Å; L947-R951 PolarHBondContact O-N 3.38Å
948	M	80.2	Confident	79.4	Confident	65 Å²	65	95.8 Å²	95.8	32%	0.32	45%	0.45	S	S	.	.	H	α-helix	trans	-69.3	-35	176.6	-66.2	-58.1	95	0	0	112.3	Y944 K945 E946 G952	Y944-M948 HydrophobicContact CD1-CG 4.5Å; Y944-M948 HydrophobicContact CD2-CE 4.15Å; Y944-M948 HydrophobicContact CD2-CG 3.96Å; Y944-M948 HydrophobicContact CD2-SD 4.42Å; Y944-M948 HydrophobicContact CE1-CG 4.06Å; Y944-M948 HydrophobicContact CE2-CE 3.71Å; Y944-M948 HydrophobicContact CE2-CG 3.45Å; Y944-M948 VanDerWaalsContact CE2-CG 3.45Å; Y944-M948 HydrophobicContact CE2-SD 3.57Å; Y944-M948 VanDerWaalsContact CE2-SD 3.57Å; Y944-M948 HydrophobicContact CG-CG 4.45Å; Y944-M948 VanDerWaalsContact CZ-CG 3.5Å; Y944-M948 WeakPolarHBondContact O-CB 3.46Å; Y944-M948 VanDerWaalsContact O-CG 3.26Å; Y944-M948 WeakPolarHBondContact O-CG 3.26Å; Y944-M948 PolarHBondContact O-N 3.35Å; K945-M948 PolarHBondContact O-N 2.89Å; E946-M948 PolarHBondContact O-N 2.99Å; M948-G952 PolarHBondContact O-N 3.26Å
949	R	84.9	Confident	78.3	Confident	171 Å²	171	96.6 Å²	96.6	65%	0.645	45%	0.449	S	S	*	.	H	α-helix	trans	-62	-57.1	170.1	-77.4	168.5	167.6	-171.3	-9.2	110.6	K945 E946 R951 G952 D953	K945-R949 WeakPolarHBondContact O-CB 3.31Å; K945-R949 VanDerWaalsContact O-CG 3.3Å; K945-R949 WeakPolarHBondContact O-CG 3.41Å; K945-R949 PolarHBondContact O-N 2.73Å; E946-R949 WeakPolarHBondContact O-CB 3.29Å; E946-R949 PolarHBondContact O-N 2.92Å; R949-R951 VanDerWaalsContact C-N 3.28Å; R949-R951 PolarHBondContact O-N 3.36Å; R949-G952 CarbonylContact O-C 3.04Å; R949-G952 VanDerWaalsContact O-CA 3.32Å; R949-G952 WeakPolarHBondContact O-CA 3.41Å; R949-G952 PolarHBondContact O-N 2.98Å; R949-D953 VanDerWaalsContact O-CG 3.3Å; R949-D953 PolarHBondContact O-N 2.87Å; R949-D953 VanDerWaalsContact O-OD2 3.07Å
950	S	83.5	Confident	77.4	Confident	63 Å²	63	99.6 Å²	99.6	44%	0.441	47%	0.465	S	S	.	.	H	α-helix	trans	-56.2	-38.2	180	-179.8	0	0	0	0	113.3	E946 S954	E946-S950 WeakPolarHBondContact O-CB 3.43Å; E946-S950 PolarHBondContact O-N 3.01Å; S950-S954 WeakPolarHBondContact O-CB 3.38Å; S950-S954 PolarHBondContact O-N 3.4Å; S950-S954 PolarHBondContact O-OG 2.91Å
951	R	82.3	Confident	76.1	Confident	109 Å²	109	94.7 Å²	94.7	41%	0.411	46%	0.455	S	S	.	.	H	α-helix	trans	-64.5	-46.5	170.2	-75.7	-176.1	-175.7	-165.4	0.2	111.9	D935 L947 R949 D953 S954 T955	D935-R951 IonicContact OD1-CZ 2.61Å; D935-R951 IonicContact OD1-NH2 3.88Å; D935-R951 PolarHBondContact OD1-NH2 3.14Å; D935-R951 IonicContact OD2-CZ 3.59Å; D935-R951 IonicContact OD2-NH2 2.66Å; D935-R951 PolarHBondContact OD2-NH2 2.84Å; L947-R951 HydrophobicContact CD1-CG 4.43Å; L947-R951 WeakPolarHBondContact O-CB 3.39Å; L947-R951 VanDerWaalsContact O-CG 3.31Å; L947-R951 WeakPolarHBondContact O-CG 3.22Å; L947-R951 PolarHBondContact O-N 3.38Å; R949-R951 VanDerWaalsContact C-N 3.28Å; R949-R951 PolarHBondContact O-N 3.36Å; R951-D953 PolarHBondContact O-N 3.16Å; R951-S954 PolarHBondContact O-N 3.31Å; R951-T955 PolarHBondContact O-N 2.68Å; R951-T955 PolarHBondContact O-OG1 2.87Å
952	G	77.5	Confident	75.1	Confident	39 Å²	39	93.3 Å²	93.3	40%	0.402	45%	0.452	S	S	.	.	H	α-helix	trans	-58.8	-42.2	174.8	0	0	0	0	0	113.7	M948 R949 S954 T955 R956	M948-G952 PolarHBondContact O-N 3.26Å; R949-G952 CarbonylContact O-C 3.04Å; R949-G952 VanDerWaalsContact O-CA 3.32Å; R949-G952 WeakPolarHBondContact O-CA 3.41Å; R949-G952 PolarHBondContact O-N 2.98Å; G952-S954 VanDerWaalsContact C-N 3.34Å; G952-T955 PolarHBondContact O-N 3.49Å; G952-R956 WeakPolarHBondContact O-CB 3.47Å; G952-R956 PolarHBondContact O-N 3.37Å
953	D	75.3	Confident	74.1	Confident	83 Å²	83	92.9 Å²	92.9	44%	0.444	45%	0.447	S	S	.	.	H	α-helix	trans	-69.4	-32.4	177.7	-59.9	-41.3	0	0	0	111.9	R949 R951 R957	R949-D953 VanDerWaalsContact O-CG 3.3Å; R949-D953 PolarHBondContact O-N 2.87Å; R949-D953 VanDerWaalsContact O-OD2 3.07Å; R951-D953 PolarHBondContact O-N 3.16Å; D953-R957 WeakPolarHBondContact O-CG 3.44Å; D953-R957 PolarHBondContact O-N 3.41Å; D953-R957 PolarHBondContact O-NE 3.03Å
954	S	72.6	Confident	73	Confident	52 Å²	52	94 Å²	94	36%	0.364	46%	0.455	S	S	.	.	H	α-helix	trans	-75.2	-41.6	175.2	-56	0	0	0	0	111.8	S950 R951 G952 R956 R957 Q958	S950-S954 WeakPolarHBondContact O-CB 3.38Å; S950-S954 PolarHBondContact O-N 3.4Å; S950-S954 PolarHBondContact O-OG 2.91Å; R951-S954 PolarHBondContact O-N 3.31Å; G952-S954 VanDerWaalsContact C-N 3.34Å; S954-R956 VanDerWaalsContact C-N 3.35Å; S954-R957 PolarHBondContact O-N 2.81Å; S954-Q958 WeakPolarHBondContact O-CB 3.47Å; S954-Q958 PolarHBondContact O-N 2.98Å
955	T	70.8	Confident	72	Confident	69 Å²	69	96.5 Å²	96.5	42%	0.423	47%	0.469	S	S	.	.	H	α-helix	trans	-61.7	-41.6	169.9	-62.1	0	0	0	0	111.2	R951 G952 R957 Q958 W959	R951-T955 PolarHBondContact O-N 2.68Å; R951-T955 PolarHBondContact O-OG1 2.87Å; G952-T955 PolarHBondContact O-N 3.49Å; T955-R957 PolarHBondContact O-N 3.26Å; T955-Q958 PolarHBondContact O-N 3.33Å; T955-W959 PolarHBondContact O-N 3.34Å
956	R	65.8	Low	71	Confident	177 Å²	177	97 Å²	97	67%	0.668	47%	0.473	S	S	*	.	H	α-helix	trans	-58.1	-47.4	173.6	175.7	-179.6	-79.2	-132.3	-2.7	111.6	G952 S954 W959 I960	G952-R956 WeakPolarHBondContact O-CB 3.47Å; G952-R956 PolarHBondContact O-N 3.37Å; S954-R956 VanDerWaalsContact C-N 3.35Å; R956-W959 PolarHBondContact O-N 2.65Å; R956-I960 HydrophobicContact CG-CD1 3.92Å; R956-I960 WeakPolarHBondContact O-CG1 3.31Å; R956-I960 PolarHBondContact O-N 3.22Å; R956-I960 VanDerWaalsContact O-N 3.09Å
957	R	66.5	Low	69.9	Low	153 Å²	153	93.5 Å²	93.5	58%	0.577	47%	0.466	S	S	*	.	H	α-helix	trans	-63.9	-38.5	176.9	-76.8	-177.6	-70.1	-172.4	4.7	112.6	D953 S954 T955 I960 S961	D953-R957 WeakPolarHBondContact O-CG 3.44Å; D953-R957 PolarHBondContact O-N 3.41Å; D953-R957 PolarHBondContact O-NE 3.03Å; S954-R957 PolarHBondContact O-N 2.81Å; T955-R957 PolarHBondContact O-N 3.26Å; R957-I960 PolarHBondContact O-N 2.99Å; R957-S961 WeakPolarHBondContact O-CB 3.4Å; R957-S961 PolarHBondContact O-N 3.22Å
958	Q	67.8	Low	69	Low	142 Å²	142	97.7 Å²	97.7	66%	0.664	48%	0.484	S	S	*	.	H	α-helix	trans	-63	-42.9	175.8	-171	176.5	13.3	0	0	112.2	S954 T955 S962	S954-Q958 WeakPolarHBondContact O-CB 3.47Å; S954-Q958 PolarHBondContact O-N 2.98Å; T955-Q958 PolarHBondContact O-N 3.33Å; Q958-S962 PolarHBondContact O-N 2.79Å; Q958-S962 PolarHBondContact O-OG 3.42Å
959	W	59.3	Low	68.7	Low	147 Å²	147	100.1 Å²	100.1	56%	0.557	49%	0.493	S	S	*	.	H	α-helix	trans	-62.6	-46.8	175	-81.7	106.9	0	0	0	112.2	T955 R956 S961 S962 T963	T955-W959 PolarHBondContact O-N 3.34Å; R956-W959 PolarHBondContact O-N 2.65Å; W959-S961 PolarHBondContact O-N 3.49Å; W959-S962 PolarHBondContact O-N 3.12Å; W959-S962 VanDerWaalsContact O-N 3.17Å; W959-S962 PolarHBondContact O-OG 2.75Å; W959-T963 PolarHBondContact O-N 3.08Å; W959-T963 PolarHBondContact O-OG1 2.89Å
960	I	60.6	Low	68.1	Low	86 Å²	86	96.7 Å²	96.7	44%	0.441	49%	0.487	S	S	.	.	H	α-helix	trans	-57.6	-49.6	177.5	-67	164.5	0	0	0	110.6	R956 R957 S962 T963 D964	R956-I960 HydrophobicContact CG-CD1 3.92Å; R956-I960 WeakPolarHBondContact O-CG1 3.31Å; R956-I960 PolarHBondContact O-N 3.22Å; R956-I960 VanDerWaalsContact O-N 3.09Å; R957-I960 PolarHBondContact O-N 2.99Å; I960-S962 VanDerWaalsContact C-N 3.28Å; I960-S962 PolarHBondContact O-N 3.1Å; I960-T963 WeakPolarHBondContact CA-OG1 3.39Å; I960-T963 PolarHBondContact O-N 2.91Å; I960-T963 VanDerWaalsContact O-N 3.1Å; I960-T963 PolarHBondContact O-OG1 2.79Å; I960-D964 PolarHBondContact O-N 3.34Å
961	S	57.8	Low	67.6	Low	60 Å²	60	97.7 Å²	97.7	42%	0.42	49%	0.49	S	S	.	.	H	α-helix	trans	-57.7	-39.2	177.2	-162.8	0	0	0	0	112.6	R957 W959 D964 E965	R957-S961 WeakPolarHBondContact O-CB 3.4Å; R957-S961 PolarHBondContact O-N 3.22Å; W959-S961 PolarHBondContact O-N 3.49Å; S961-D964 PolarHBondContact O-N 2.8Å; S961-E965 PolarHBondContact O-N 3.38Å
962	S	58.2	Low	67.2	Low	46 Å²	46	98.5 Å²	98.5	32%	0.322	50%	0.498	S	S	.	.	H	α-helix	trans	-72.1	-27.1	178.8	69.5	0	0	0	0	113.9	Q958 W959 I960	Q958-S962 PolarHBondContact O-N 2.79Å; Q958-S962 PolarHBondContact O-OG 3.42Å; W959-S962 PolarHBondContact O-N 3.12Å; W959-S962 VanDerWaalsContact O-N 3.17Å; W959-S962 PolarHBondContact O-OG 2.75Å; I960-S962 VanDerWaalsContact C-N 3.28Å; I960-S962 PolarHBondContact O-N 3.1Å
963	T	60.6	Low	67.1	Low	59 Å²	59	100.1 Å²	100.1	36%	0.362	50%	0.498	S	S	.	.	H	α-helix	trans	-78.2	-34.9	171.2	43.5	0	0	0	0	112	W959 I960 Q966 A967	W959-T963 PolarHBondContact O-N 3.08Å; W959-T963 PolarHBondContact O-OG1 2.89Å; I960-T963 WeakPolarHBondContact CA-OG1 3.39Å; I960-T963 PolarHBondContact O-N 2.91Å; I960-T963 VanDerWaalsContact O-N 3.1Å; I960-T963 PolarHBondContact O-OG1 2.79Å; T963-Q966 PolarHBondContact O-N 3.12Å; T963-A967 WeakPolarHBondContact O-CB 3.34Å; T963-A967 PolarHBondContact O-N 2.85Å
964	D	63.7	Low	67	Low	82 Å²	82	100.8 Å²	100.8	44%	0.439	50%	0.5	S	S	.	.	H	α-helix	trans	-68.4	-40.9	177.5	-70.6	-29.8	0	0	0	111.8	I960 S961 Q966 A967 Q968	I960-D964 PolarHBondContact O-N 3.34Å; S961-D964 PolarHBondContact O-N 2.8Å; D964-Q966 PolarHBondContact O-N 3.43Å; D964-A967 PolarHBondContact O-N 3.17Å; D964-Q968 WeakPolarHBondContact O-CB 3.34Å; D964-Q968 VanDerWaalsContact O-CG 3.25Å; D964-Q968 WeakPolarHBondContact O-CG 3.17Å; D964-Q968 PolarHBondContact O-N 3.27Å
965	E	66	Low	67	Low	134 Å²	134	102.7 Å²	102.7	63%	0.626	51%	0.506	S	S	*	.	H	α-helix	trans	-60.6	-41.3	174.5	-76.1	180	169.9	0	0	112.5	S961 K969	S961-E965 PolarHBondContact O-N 3.38Å; E965-K969 PolarHBondContact O-N 3.42Å
966	Q	63.1	Low	66.9	Low	139 Å²	139	105.2 Å²	105.2	65%	0.65	52%	0.517	S	S	*	.	H	α-helix	trans	-70.8	-38.7	176.3	-70.5	-170.1	1.6	0	0	112.2	T963 D964 I970	T963-Q966 PolarHBondContact O-N 3.12Å; D964-Q966 PolarHBondContact O-N 3.43Å; Q966-I970 WeakPolarHBondContact O-CD1 3.36Å; Q966-I970 VanDerWaalsContact O-CG1 3.26Å; Q966-I970 WeakPolarHBondContact O-CG1 3.25Å; Q966-I970 PolarHBondContact O-N 2.91Å
967	A	65.1	Low	66.7	Low	50 Å²	50	102.1 Å²	102.1	41%	0.413	51%	0.514	S	S	.	.	H	α-helix	trans	-65.2	-44.3	175.8	0	0	0	0	0	111.8	T963 D964 I970 V971	T963-A967 WeakPolarHBondContact O-CB 3.34Å; T963-A967 PolarHBondContact O-N 2.85Å; D964-A967 PolarHBondContact O-N 3.17Å; A967-I970 PolarHBondContact O-N 3.44Å; A967-V971 WeakPolarHBondContact O-CG2 3.41Å; A967-V971 PolarHBondContact O-N 2.9Å
968	Q	67.1	Low	66.3	Low	125 Å²	125	98.6 Å²	98.6	58%	0.584	51%	0.509	S	S	*	.	H	α-helix	trans	-59.6	-48.5	175.3	-75	173.5	10.1	0	0	111.1	D964 I970 V971 E972	D964-Q968 WeakPolarHBondContact O-CB 3.34Å; D964-Q968 VanDerWaalsContact O-CG 3.25Å; D964-Q968 WeakPolarHBondContact O-CG 3.17Å; D964-Q968 PolarHBondContact O-N 3.27Å; Q968-I970 VanDerWaalsContact C-N 3.33Å; Q968-I970 PolarHBondContact O-N 3.49Å; Q968-V971 PolarHBondContact O-N 3.17Å; Q968-V971 VanDerWaalsContact O-N 3.08Å; Q968-E972 PolarHBondContact O-N 3.39Å
969	K	75	Confident	65.7	Low	117 Å²	117	97.5 Å²	97.5	51%	0.509	51%	0.507	S	S	.	.	H	α-helix	trans	-61.6	-39.6	178.1	-161.5	-170.4	176.7	-77.3	0	112.6	E965 V971 E972 D973	E965-K969 PolarHBondContact O-N 3.42Å; K969-V971 VanDerWaalsContact C-N 3.3Å; K969-V971 PolarHBondContact O-N 2.88Å; K969-E972 PolarHBondContact O-N 2.89Å; K969-D973 VanDerWaalsContact NZ-CG 3.29Å; K969-D973 IonicContact NZ-OD1 3.85Å; K969-D973 PolarHBondContact NZ-OD1 2.91Å; K969-D973 VanDerWaalsContact NZ-OD1 3.08Å; K969-D973 IonicContact NZ-OD2 2.73Å; K969-D973 PolarHBondContact NZ-OD2 3.04Å; K969-D973 WeakPolarHBondContact O-CB 3.38Å; K969-D973 VanDerWaalsContact O-CG 3.28Å; K969-D973 PolarHBondContact O-N 3.02Å
970	I	72.7	Confident	65.3	Low	98 Å²	98	94.9 Å²	94.9	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-64.2	-36.9	175.6	-70.7	165.8	0	0	0	111	Q966 A967 Q968 I974	Q966-I970 WeakPolarHBondContact O-CD1 3.36Å; Q966-I970 VanDerWaalsContact O-CG1 3.26Å; Q966-I970 WeakPolarHBondContact O-CG1 3.25Å; Q966-I970 PolarHBondContact O-N 2.91Å; A967-I970 PolarHBondContact O-N 3.44Å; Q968-I970 VanDerWaalsContact C-N 3.33Å; Q968-I970 PolarHBondContact O-N 3.49Å; I970-I974 HydrophobicContact CG2-CD1 3.86Å; I970-I974 WeakPolarHBondContact O-CB 3.38Å; I970-I974 WeakPolarHBondContact O-CD1 3.26Å; I970-I974 WeakPolarHBondContact O-CG1 3.38Å; I970-I974 PolarHBondContact O-N 3.39Å
971	V	72.6	Confident	64.8	Low	84 Å²	84	95 Å²	95	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-69.2	-41.5	175.2	171.1	0	0	0	0	111.7	A967 Q968 K969 I974 L975	A967-V971 WeakPolarHBondContact O-CG2 3.41Å; A967-V971 PolarHBondContact O-N 2.9Å; Q968-V971 PolarHBondContact O-N 3.17Å; Q968-V971 VanDerWaalsContact O-N 3.08Å; K969-V971 VanDerWaalsContact C-N 3.3Å; K969-V971 PolarHBondContact O-N 2.88Å; V971-I974 PolarHBondContact O-N 3.43Å; V971-L975 HydrophobicContact CG1-CD1 4.16Å; V971-L975 WeakPolarHBondContact O-CD1 3.41Å; V971-L975 PolarHBondContact O-N 2.94Å
972	E	74.1	Confident	64.2	Low	127 Å²	127	98.5 Å²	98.5	59%	0.593	53%	0.532	S	S	*	.	H	α-helix	trans	-62.9	-49.4	173.5	-70.9	-176.3	152.1	0	0	111.7	Q968 K969 I974 L975 D976	Q968-E972 PolarHBondContact O-N 3.39Å; K969-E972 PolarHBondContact O-N 2.89Å; E972-I974 PolarHBondContact O-N 3.41Å; E972-L975 PolarHBondContact O-N 2.87Å; E972-L975 VanDerWaalsContact O-N 3.1Å; E972-D976 PolarHBondContact O-N 3.08Å
973	D	74.3	Confident	63.5	Low	72 Å²	72	102.1 Å²	102.1	39%	0.385	56%	0.555	S	S	.	*	H	α-helix	trans	-57.6	-34.1	176.1	-73.2	-37.3	0	0	0	110.9	K969 N977	K969-D973 VanDerWaalsContact NZ-CG 3.29Å; K969-D973 IonicContact NZ-OD1 3.85Å; K969-D973 PolarHBondContact NZ-OD1 2.91Å; K969-D973 VanDerWaalsContact NZ-OD1 3.08Å; K969-D973 IonicContact NZ-OD2 2.73Å; K969-D973 PolarHBondContact NZ-OD2 3.04Å; K969-D973 WeakPolarHBondContact O-CB 3.38Å; K969-D973 VanDerWaalsContact O-CG 3.28Å; K969-D973 PolarHBondContact O-N 3.02Å; D973-N977 WeakPolarHBondContact O-CB 3.28Å; D973-N977 PolarHBondContact O-N 3.23Å; D973-N977 PolarHBondContact O-ND2 3.3Å
974	I	73.1	Confident	62.4	Low	98 Å²	98	107.9 Å²	107.9	50%	0.503	58%	0.578	S	S	.	*	H	α-helix	trans	-75	-40.6	175.3	-72.6	167	0	0	0	112.2	I970 V971 E972 T978	I970-I974 HydrophobicContact CG2-CD1 3.86Å; I970-I974 WeakPolarHBondContact O-CB 3.38Å; I970-I974 WeakPolarHBondContact O-CD1 3.26Å; I970-I974 WeakPolarHBondContact O-CG1 3.38Å; I970-I974 PolarHBondContact O-N 3.39Å; V971-I974 PolarHBondContact O-N 3.43Å; E972-I974 PolarHBondContact O-N 3.41Å; I974-T978 WeakPolarHBondContact O-CG2 3.31Å; I974-T978 PolarHBondContact O-N 3.49Å; I974-T978 VanDerWaalsContact O-N 3.08Å; I974-T978 PolarHBondContact O-OG1 3.48Å
975	L	72.8	Confident	61.1	Low	91 Å²	91	112.6 Å²	112.6	48%	0.476	60%	0.602	S	S	.	*	H	α-helix	trans	-63.8	-48.9	177.1	-104.6	69.1	0	0	0	111.2	V971 E972 N977 T978 L979	V971-L975 HydrophobicContact CG1-CD1 4.16Å; V971-L975 WeakPolarHBondContact O-CD1 3.41Å; V971-L975 PolarHBondContact O-N 2.94Å; E972-L975 PolarHBondContact O-N 2.87Å; E972-L975 VanDerWaalsContact O-N 3.1Å; L975-N977 VanDerWaalsContact C-N 3.32Å; L975-N977 PolarHBondContact O-N 3.03Å; L975-T978 PolarHBondContact O-N 3.33Å; L975-T978 VanDerWaalsContact O-N 3.1Å; L975-T978 PolarHBondContact O-OG1 3.15Å; L975-T978 VanDerWaalsContact O-OG1 3.08Å; L975-L979 HydrophobicContact CB-CD1 4.19Å; L975-L979 HydrophobicContact CG-CD1 4.08Å; L975-L979 WeakPolarHBondContact O-CD1 3.39Å; L975-L979 PolarHBondContact O-N 3.33Å
976	D	69.9	Low	59.7	Low	122 Å²	122	111.1 Å²	111.1	65%	0.652	61%	0.606	S	S	*	*	H	α-helix	trans	-63.6	-37.4	-178.4	-84.7	-5.7	0	0	0	112.2	E972 S980	E972-D976 PolarHBondContact O-N 3.08Å; D976-S980 VanDerWaalsContact O-CB 3.23Å; D976-S980 WeakPolarHBondContact O-CB 3.2Å; D976-S980 PolarHBondContact O-N 2.91Å; D976-S980 VanDerWaalsContact O-N 3.16Å; D976-S980 PolarHBondContact O-OG 3.42Å
977	N	61.6	Low	58.6	Low	113 Å²	113	110.1 Å²	110.1	60%	0.604	61%	0.612	S	S	*	*	H	α-helix	trans	-72.1	-25.4	175.1	-79.2	-70.1	0	0	0	113.7	D973 L975 S980 S981	D973-N977 WeakPolarHBondContact O-CB 3.28Å; D973-N977 PolarHBondContact O-N 3.23Å; D973-N977 PolarHBondContact O-ND2 3.3Å; L975-N977 VanDerWaalsContact C-N 3.32Å; L975-N977 PolarHBondContact O-N 3.03Å; N977-S980 PolarHBondContact O-OG 3.33Å; N977-S981 PolarHBondContact O-OG 2.93Å
978	T	57.9	Low	57	Low	78 Å²	78	113.3 Å²	113.3	48%	0.479	63%	0.631	S	S	.	*	H	α-helix	trans	-88	-41.1	177.2	47.9	0	0	0	0	112.9	I974 L975 S981	I974-T978 WeakPolarHBondContact O-CG2 3.31Å; I974-T978 PolarHBondContact O-N 3.49Å; I974-T978 VanDerWaalsContact O-N 3.08Å; I974-T978 PolarHBondContact O-OG1 3.48Å; L975-T978 PolarHBondContact O-N 3.33Å; L975-T978 VanDerWaalsContact O-N 3.1Å; L975-T978 PolarHBondContact O-OG1 3.15Å; L975-T978 VanDerWaalsContact O-OG1 3.08Å; T978-S981 PolarHBondContact O-N 3.47Å
979	L	53.6	Low	55.4	Low	120 Å²	120	114.9 Å²	114.9	63%	0.628	64%	0.643	S	S	*	*	H	α-helix	trans	-68.9	-30.9	175.6	-83.3	94.3	0	0	0	113.1	L975 S981	L975-L979 HydrophobicContact CB-CD1 4.19Å; L975-L979 HydrophobicContact CG-CD1 4.08Å; L975-L979 WeakPolarHBondContact O-CD1 3.39Å; L975-L979 PolarHBondContact O-N 3.33Å; L979-S981 PolarHBondContact O-N 3.09Å
980	S	51.9	Low	53.2	Low	91 Å²	91	114.2 Å²	114.2	64%	0.636	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	-9.9	174.1	54.8	0	0	0	0	114.4	D976 N977	D976-S980 VanDerWaalsContact O-CB 3.23Å; D976-S980 WeakPolarHBondContact O-CB 3.2Å; D976-S980 PolarHBondContact O-N 2.91Å; D976-S980 VanDerWaalsContact O-N 3.16Å; D976-S980 PolarHBondContact O-OG 3.42Å; N977-S980 PolarHBondContact O-OG 3.33Å
981	S	50.7	Low	51.3	Low	90 Å²	90	114.6 Å²	114.6	63%	0.629	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	3.8	-175.5	-64.1	0	0	0	0	114.9	N977 T978 L979	N977-S981 PolarHBondContact O-OG 2.93Å; T978-S981 PolarHBondContact O-N 3.47Å; L979-S981 PolarHBondContact O-N 3.09Å
982	I	45.4	Very low	49.6	Very low	132 Å²	132	118.3 Å²	118.3	68%	0.677	68%	0.679	S	S	*	*	S	Bend	trans	-114.1	113.5	-175.3	-56.4	-179.9	0	0	0	111.2
983	P	41.7	Very low	47.5	Very low	122 Å²	122	120 Å²	120	79%	0.792	69%	0.693	S	S	*	*			trans	-65.9	145.7	179.8	-23.7	35.1	0	0	0	114.5
984	Q	38.4	Very low	45.5	Very low	181 Å²	181	119.7 Å²	119.7	85%	0.846	71%	0.706	S	S	*	*			trans	-71.2	136.4	-174.5	-64.1	-176.2	-14	0	0	114.5
985	L	36.3	Very low	43.6	Very low	180 Å²	180	125 Å²	125	94%	0.942	72%	0.722	S	S	*	*			trans	-138.2	139.2	150	-75.2	178.2	0	0	0	109.7
986	S	35.5	Very low	41.7	Very low	103 Å²	103	128 Å²	128	72%	0.72	74%	0.738	S	S	*	*			trans	-163	180	-172.4	63.1	0	0	0	0	110.5
987	P	40.3	Very low	40	Very low	119 Å²	119	125.9 Å²	125.9	77%	0.773	75%	0.745	S	S	*	*				-130.9	139.8	-66.1	36.6	-22.2	0	0	0	113.6
988	S	32.4	Very low	38.5	Very low	116 Å²	116	129.1 Å²	129.1	81%	0.811	76%	0.757	S	S	*	*			trans	-166.1	159	161	57.7	0	0	0	0	108.1
989	L	33.9	Very low	37.3	Very low	158 Å²	158	128.3 Å²	128.3	83%	0.827	75%	0.754	S	S	*	*			cis	-153.4	144.2	25.1	-172.4	73	0	0	0	110.8
990	S	28.4	Very low	36.1	Very low	104 Å²	104	128 Å²	128	73%	0.727	75%	0.752	S	S	*	*			trans	-88.5	124.8	169.9	54.7	0	0	0	0	111.7
991	S	32.7	Very low	35	Very low	105 Å²	105	127.5 Å²	127.5	73%	0.734	75%	0.749	S	S	*	*			trans	176	161.4	153.5	-89.3	0	0	0	0	114.9
992	I	36.5	Very low	33.9	Very low	162 Å²	162	125.3 Å²	125.3	83%	0.831	73%	0.733	S	S	*	*			trans	80.5	100.1	158.5	-63.3	141	0	0	0	117.8
993	N	31.1	Very low	33.3	Very low	164 Å²	164	126 Å²	126	88%	0.877	74%	0.738	S	S	*	*			trans	-53	154.6	159.2	-39.1	-34.1	0	0	0	113.1
994	G	31.8	Very low	32.8	Very low	65 Å²	65	129 Å²	129	67%	0.67	74%	0.739	S	S	*	*			trans	176.9	89.5	163.6	0	0	0	0	0	116.7
995	Y	32.3	Very low	32.5	Very low	210 Å²	210	126.7 Å²	126.7	82%	0.824	73%	0.732	S	S	*	*			trans	43	114.8	152.2	-67.4	-84.3	0	0	0	121.4
996	D	33.3	Very low	32.4	Very low	153 Å²	153	125 Å²	125	82%	0.818	72%	0.724	S	S	*	*				50.9	116.9	126.7	-48.5	-2.5	0	0	0	120.4
997	G	33.2	Very low	32.5	Very low	78 Å²	78	126.7 Å²	126.7	80%	0.804	73%	0.725	S	S	*	*			trans	171.6	116.8	164.8	0	0	0	0	0	113.6
998	E	31.3	Very low	32.3	Very low	181 Å²	181	126.8 Å²	126.8	85%	0.846	72%	0.718	S	S	*	*			trans	-56.1	129	178.2	-75.7	166.1	129.9	0	0	112.6
999	S	32.5	Very low	32.6	Very low	61 Å²	61	126.7 Å²	126.7	43%	0.427	71%	0.712	S	S	.	*				75.3	137.9	82.3	108.1	0	0	0	0	113.1	I1123	S999-I1123 WeakPolarHBondContact O-CB 3.29Å; S999-I1123 WeakPolarHBondContact O-CG2 3.33Å
1000	I	28	Very low	32.6	Very low	114 Å²	114	126.2 Å²	126.2	59%	0.585	71%	0.706	S	S	*	*			cis	-132.4	133.9	6.5	-91	145.3	0	0	0	107.6	I1123 I1124 E1125	I1000-I1123 WeakPolarHBondContact CB-O 3.4Å; I1000-I1123 PolarHBondContact N-O 3.22Å; I1000-I1123 CarbonylContact O-C 3.5Å; I1000-I1124 CarbonylContact O-C 3.58Å; I1000-I1124 PolarHBondContact O-N 3.45Å; I1000-I1124 VanDerWaalsContact O-O 3.09Å; I1000-E1125 PolarHBondContact O-N 3.45Å
1001	S	28.5	Very low	33.1	Very low	80 Å²	80	125.7 Å²	125.7	56%	0.559	70%	0.699	S	S	*	*			trans	-144.5	144.5	-174.1	114	0	0	0	0	114.6	I1124 E1125	S1001-I1124 WeakPolarHBondContact CB-O 3.42Å; S1001-E1125 WeakPolarHBondContact CB-OE2 3.37Å; S1001-E1125 PolarHBondContact OG-OE2 3.39Å
1002	S	28.5	Very low	33.2	Very low	44 Å²	44	125.5 Å²	125.5	31%	0.308	69%	0.688	S	S	.	*			trans	-21.8	134.8	-179.4	67.6	0	0	0	0	117.5	E1125	S1002-E1125 WeakPolarHBondContact CA-O 3.2Å; S1002-E1125 VanDerWaalsContact N-CB 3.3Å; S1002-E1125 PolarHBondContact N-O 2.98Å; S1002-E1125 PolarHBondContact OG-OE2 3.14Å
1003	N	32.1	Very low	33.2	Very low	147 Å²	147	121.7 Å²	121.7	79%	0.786	68%	0.676	S	S	*	*				-161.1	160.4	69	-98.5	-79.4	0	0	0	115.1
1004	K	31.3	Very low	33.4	Very low	185 Å²	185	118.1 Å²	118.1	80%	0.804	66%	0.66	S	S	*	*			trans	-77.5	131	159.6	-59.3	154.7	-175.2	162	0	107.7
1005	N	31.6	Very low	33.5	Very low	131 Å²	131	121.7 Å²	121.7	70%	0.701	66%	0.661	S	S	*	*			trans	-179.9	-26.4	143.6	-92	-22.1	0	0	0	115.2	N1007	N1005-N1007 VanDerWaalsContact C-N 3.26Å; N1005-N1007 PolarHBondContact O-N 3.16Å
1006	D	35.2	Very low	33.5	Very low	145 Å²	145	121 Å²	121	78%	0.775	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-8.9	-164.4	-67.5	-19.3	0	0	0	117.3	I1008	D1006-I1008 PolarHBondContact O-N 2.88Å
1007	N	37.6	Very low	33.5	Very low	138 Å²	138	117.6 Å²	117.6	74%	0.738	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-11.1	-176.4	-83.5	-22.3	0	0	0	115.2	N1005 T1011	N1005-N1007 VanDerWaalsContact C-N 3.26Å; N1005-N1007 PolarHBondContact O-N 3.16Å; N1007-T1011 PolarHBondContact O-OG1 3.21Å
1008	I	37	Very low	33.4	Very low	121 Å²	121	122 Å²	122	62%	0.621	65%	0.646	S	S	*	*	H	α-helix	trans	-75.1	-35.7	-176.6	-70.4	173.2	0	0	0	112	D1006 Q1010	D1006-I1008 PolarHBondContact O-N 2.88Å; I1008-Q1010 PolarHBondContact O-N 2.98Å
1009	T	36.8	Very low	33.3	Very low	114 Å²	114	121.7 Å²	121.7	70%	0.699	65%	0.645	S	S	*	*	H	α-helix	trans	-75.9	-26.8	-171.3	-44.8	0	0	0	0	113.6
1010	Q	35.6	Very low	33.1	Very low	148 Å²	148	123.4 Å²	123.4	69%	0.692	66%	0.657	S	S	*	*	H	α-helix	trans	-82.6	-36.2	-178	-66.9	-169.4	2.6	0	0	113.3	I1008 I1012 S1013	I1008-Q1010 PolarHBondContact O-N 2.98Å; Q1010-I1012 VanDerWaalsContact C-N 3.28Å; Q1010-I1012 PolarHBondContact O-N 3.43Å; Q1010-S1013 PolarHBondContact O-N 3.27Å
1011	T	37.4	Very low	33.1	Very low	94 Å²	94	124.4 Å²	124.4	58%	0.577	67%	0.668	S	S	*	*	H	α-helix	trans	-63.7	-32.3	-178.3	-52.5	0	0	0	0	112.9	N1007	N1007-T1011 PolarHBondContact O-OG1 3.21Å
1012	I	36.1	Very low	33.2	Very low	101 Å²	101	128.7 Å²	128.7	52%	0.518	68%	0.683	S	S	.	*	H	α-helix	trans	-72.4	-34.5	-179.4	-62	175.3	0	0	0	111.6	Q1010 V1014	Q1010-I1012 VanDerWaalsContact C-N 3.28Å; Q1010-I1012 PolarHBondContact O-N 3.43Å; I1012-V1014 PolarHBondContact O-N 3.1Å
1013	S	35.4	Very low	33.3	Very low	81 Å²	81	132.4 Å²	132.4	57%	0.566	70%	0.7	S	S	*	*	H	α-helix	trans	-70.6	-28.3	-177.9	-165	0	0	0	0	113.6	Q1010 S1017	Q1010-S1013 PolarHBondContact O-N 3.27Å; S1013-S1017 PolarHBondContact O-OG 2.96Å; S1013-S1017 VanDerWaalsContact O-OG 3.11Å
1014	V	35.6	Very low	33.1	Very low	90 Å²	90	135.4 Å²	135.4	55%	0.545	70%	0.7	S	S	.	*	H	α-helix	trans	-71.1	-37.8	-179.9	178.7	0	0	0	0	111.8	I1012 Y1016 S1017	I1012-V1014 PolarHBondContact O-N 3.1Å; V1014-Y1016 PolarHBondContact O-N 2.86Å; V1014-Y1016 VanDerWaalsContact O-N 3.16Å; V1014-S1017 PolarHBondContact O-N 3.18Å
1015	M	33.3	Very low	33.1	Very low	139 Å²	139	134.9 Å²	134.9	69%	0.685	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-14.1	-175.8	-69.4	-163.8	-70.9	0	0	114.9
1016	Y	33.8	Very low	33.2	Very low	195 Å²	195	131.3 Å²	131.3	77%	0.765	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-3.4	179.5	-84.2	-86.4	0	0	0	114.6	V1014	V1014-Y1016 PolarHBondContact O-N 2.86Å; V1014-Y1016 VanDerWaalsContact O-N 3.16Å
1017	S	32.6	Very low	33	Very low	82 Å²	82	130.3 Å²	130.3	57%	0.573	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.7	-12.8	-167.3	-61.5	0	0	0	0	115.8	S1013 V1014	S1013-S1017 PolarHBondContact O-OG 2.96Å; S1013-S1017 VanDerWaalsContact O-OG 3.11Å; V1014-S1017 PolarHBondContact O-N 3.18Å
1018	E	32.1	Very low	32.8	Very low	171 Å²	171	130.3 Å²	130.3	80%	0.799	70%	0.7	S	S	*	*	S	Bend	trans	-89.7	-1.2	-173.4	-64.3	-165.4	137.6	0	0	115.4	S1020	E1018-S1020 VanDerWaalsContact C-N 3.3Å; E1018-S1020 PolarHBondContact O-N 3.15Å
1019	Q	29	Very low	32.8	Very low	175 Å²	175	128.1 Å²	128.1	82%	0.818	70%	0.7	S	S	*	*	S	Bend	trans	-88.3	26.3	-175.3	-70.4	-175.4	56.8	0	0	114.9
1020	S	26.8	Very low	32.9	Very low	97 Å²	97	130.8 Å²	130.8	68%	0.678	70%	0.704	S	S	*	*	S	Bend	trans	-153.7	54.2	178.2	68	0	0	0	0	117.2	E1018	E1018-S1020 VanDerWaalsContact C-N 3.3Å; E1018-S1020 PolarHBondContact O-N 3.15Å
1021	T	27.7	Very low	33	Very low	134 Å²	134	131.7 Å²	131.7	82%	0.822	71%	0.706	S	S	*	*			trans	-166.9	121.3	148.8	16.8	0	0	0	0	113.4
1022	I	32.2	Very low	33.2	Very low	170 Å²	170	134.1 Å²	134.1	87%	0.872	71%	0.711	S	S	*	*				178.9	136.1	125.9	-93.4	158.1	0	0	0	108.2
1023	N	29.9	Very low	33.6	Very low	123 Å²	123	137.1 Å²	137.1	66%	0.658	72%	0.723	S	S	*	*			trans	-94.4	145	-176.2	-99.4	-71.6	0	0	0	112.1
1024	R	27.7	Very low	34	Very low	210 Å²	210	140.4 Å²	140.4	79%	0.792	73%	0.729	S	S	*	*			trans	41.7	113.6	138.7	-54.9	167.6	-158.6	-158.1	-2.3	118
1025	N	32.2	Very low	34.5	Very low	174 Å²	174	141.3 Å²	141.3	93%	0.93	73%	0.727	S	S	*	*				-158.8	155.6	122.8	-94.3	-32.3	0	0	0	110.6
1026	G	32.9	Very low	35.5	Very low	56 Å²	56	136.6 Å²	136.6	58%	0.577	72%	0.715	S	S	*	*			trans	-90.4	178	-166.6	0	0	0	0	0	116.1	I1028	G1026-I1028 PolarHBondContact O-N 2.97Å
1027	P	30.6	Very low	36.3	Very low	123 Å²	123	132.4 Å²	132.4	80%	0.799	70%	0.702	S	S	*	*			trans	-75.4	117.6	-174	30.1	-34.5	0	0	0	112.6
1028	I	34.1	Very low	37.9	Very low	138 Å²	138	134.9 Å²	134.9	71%	0.708	71%	0.705	S	S	*	*			trans	-116.2	-24.9	171.6	-65	177.1	0	0	0	111.4	G1026 E1030	G1026-I1028 PolarHBondContact O-N 2.97Å; I1028-E1030 PolarHBondContact O-N 3.13Å
1029	A	37.1	Very low	39.5	Very low	76 Å²	76	133 Å²	133	63%	0.628	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	-21.4	-167.9	0	0	0	0	0	116.6	K1031	A1029-K1031 PolarHBondContact O-N 3.45Å
1030	E	37.8	Very low	41.2	Very low	169 Å²	169	133.3 Å²	133.3	79%	0.79	69%	0.687	S	S	*	*	H	α-helix	trans	-73	-9.6	-174.1	-67	-171.1	144.8	0	0	114.3	I1028	I1028-E1030 PolarHBondContact O-N 3.13Å
1031	K	39	Very low	43.2	Very low	168 Å²	168	136.5 Å²	136.5	73%	0.73	69%	0.685	S	S	*	*	H	α-helix	trans	-90.2	-29.6	178.7	-75.1	-170.9	172.6	-174.2	0	114.9	A1029 E1035	A1029-K1031 PolarHBondContact O-N 3.45Å; K1031-E1035 PolarHBondContact O-N 3.03Å
1032	E	42.1	Very low	45.1	Very low	145 Å²	145	134.3 Å²	134.3	68%	0.678	67%	0.665	S	S	*	*	H	α-helix	trans	-75.9	-28.8	-173.7	-62.3	-176.1	160	0	0	112.2	G1036	E1032-G1036 PolarHBondContact O-N 3.33Å
1033	E	43.7	Very low	46.9	Very low	163 Å²	163	132.2 Å²	132.2	76%	0.762	65%	0.65	S	S	*	*	H	α-helix	trans	-75.6	-35.2	177.7	-162.5	168.9	-141.2	0	0	112.3	G1036 E1037	E1033-G1036 PolarHBondContact O-N 3.22Å; E1033-E1037 PolarHBondContact O-N 3.01Å; E1033-E1037 VanDerWaalsContact O-N 3.08Å
1034	E	43.2	Very low	48.5	Very low	151 Å²	151	130.9 Å²	130.9	71%	0.706	64%	0.642	S	S	*	*	H	α-helix	trans	-69.8	-43.4	177.9	-165.4	164.1	-128.3	0	0	111.6	G1036 E1037 E1038	E1034-G1036 PolarHBondContact O-N 2.9Å; E1034-E1037 PolarHBondContact O-N 3.49Å; E1034-E1038 PolarHBondContact O-N 2.86Å
1035	E	47.6	Very low	50.4	Low	108 Å²	108	125 Å²	125	51%	0.505	62%	0.622	S	S	.	*	H	α-helix	trans	-64.2	-27.7	173.6	-152.2	-166.9	156	0	0	112.2	K1031 K1039	K1031-E1035 PolarHBondContact O-N 3.03Å; E1035-K1039 WeakPolarHBondContact O-CD 3.45Å; E1035-K1039 WeakPolarHBondContact O-CG 3.19Å; E1035-K1039 PolarHBondContact O-N 3.45Å; E1035-K1039 WeakPolarHBondContact OE1-CE 3.31Å; E1035-K1039 IonicContact OE1-NZ 3.62Å; E1035-K1039 PolarHBondContact OE1-NZ 3.15Å; E1035-K1039 IonicContact OE2-NZ 3.31Å
1036	G	54.4	Low	51.6	Low	41 Å²	41	122.6 Å²	122.6	42%	0.423	61%	0.605	S	S	.	*	H	α-helix	trans	-71	-41.7	173.3	0	0	0	0	0	113.8	E1032 E1033 E1034 R1040	E1032-G1036 PolarHBondContact O-N 3.33Å; E1033-G1036 PolarHBondContact O-N 3.22Å; E1034-G1036 PolarHBondContact O-N 2.9Å; G1036-R1040 WeakPolarHBondContact O-CB 3.41Å; G1036-R1040 PolarHBondContact O-N 2.9Å
1037	E	48.9	Very low	52.8	Low	106 Å²	106	125 Å²	125	50%	0.495	60%	0.601	S	S	.	*	H	α-helix	trans	-67.9	-37.8	173.2	-81	-133.2	144.4	0	0	112.4	E1033 E1034 R1040 R1041	E1033-E1037 PolarHBondContact O-N 3.01Å; E1033-E1037 VanDerWaalsContact O-N 3.08Å; E1034-E1037 PolarHBondContact O-N 3.49Å; E1037-R1040 WeakPolarHBondContact O-CB 3.35Å; E1037-R1040 PolarHBondContact O-N 3.01Å; E1037-R1041 WeakPolarHBondContact O-CG 3.47Å; E1037-R1041 PolarHBondContact O-N 3.25Å; E1037-R1041 IonicContact OE2-NE 2.73Å; E1037-R1041 IonicContact OE2-NH2 3.41Å; E1037-R1041 PolarHBondContact OE2-NH2 2.97Å
1038	E	66.5	Low	53.8	Low	134 Å²	134	124.2 Å²	124.2	63%	0.626	59%	0.59	S	S	*	*	H	α-helix	trans	-66.8	-47.3	-179.7	-172.2	150.8	-125.6	0	0	111.9	E1034 R1040 R1041 E1042	E1034-E1038 PolarHBondContact O-N 2.86Å; E1038-R1040 PolarHBondContact O-N 3.49Å; E1038-R1040 VanDerWaalsContact O-N 3.16Å; E1038-R1041 WeakPolarHBondContact O-CB 3.49Å; E1038-R1041 PolarHBondContact O-N 3.05Å; E1038-E1042 PolarHBondContact O-N 2.93Å
1039	K	66	Low	54.5	Low	131 Å²	131	123.5 Å²	123.5	57%	0.57	58%	0.584	S	S	*	*	H	α-helix	trans	-57.6	-31.1	172.6	-71.8	167.4	-173.6	164.8	0	112.7	E1035 K1043	E1035-K1039 WeakPolarHBondContact O-CD 3.45Å; E1035-K1039 WeakPolarHBondContact O-CG 3.19Å; E1035-K1039 PolarHBondContact O-N 3.45Å; E1035-K1039 WeakPolarHBondContact OE1-CE 3.31Å; E1035-K1039 IonicContact OE1-NZ 3.62Å; E1035-K1039 PolarHBondContact OE1-NZ 3.15Å; E1035-K1039 IonicContact OE2-NZ 3.31Å; K1039-K1043 PolarHBondContact O-N 3.48Å
1040	R	65.2	Low	54.9	Low	182 Å²	182	124.9 Å²	124.9	69%	0.687	59%	0.589	S	S	*	*	H	α-helix	trans	-74	-34.7	176.2	-159.2	178.3	-160	159.4	8.7	112.7	G1036 E1037 E1038 I1044	G1036-R1040 WeakPolarHBondContact O-CB 3.41Å; G1036-R1040 PolarHBondContact O-N 2.9Å; E1037-R1040 WeakPolarHBondContact O-CB 3.35Å; E1037-R1040 PolarHBondContact O-N 3.01Å; E1038-R1040 PolarHBondContact O-N 3.49Å; E1038-R1040 VanDerWaalsContact O-N 3.16Å; R1040-I1044 WeakPolarHBondContact O-CD1 3.47Å; R1040-I1044 WeakPolarHBondContact O-CG1 3.47Å; R1040-I1044 PolarHBondContact O-N 2.83Å
1041	R	68	Low	55.1	Low	165 Å²	165	124.6 Å²	124.6	62%	0.623	59%	0.589	S	S	*	*	H	α-helix	trans	-69.3	-45.3	173.6	-70.1	164.3	-172.4	-106.1	0.7	111.2	E1037 E1038 K1043 I1044 K1045	E1037-R1041 WeakPolarHBondContact O-CG 3.47Å; E1037-R1041 PolarHBondContact O-N 3.25Å; E1037-R1041 IonicContact OE2-NE 2.73Å; E1037-R1041 IonicContact OE2-NH2 3.41Å; E1037-R1041 PolarHBondContact OE2-NH2 2.97Å; E1038-R1041 WeakPolarHBondContact O-CB 3.49Å; E1038-R1041 PolarHBondContact O-N 3.05Å; R1041-K1043 VanDerWaalsContact C-N 3.34Å; R1041-K1043 PolarHBondContact O-N 3.49Å; R1041-I1044 PolarHBondContact O-N 3.35Å; R1041-K1045 PolarHBondContact O-N 2.77Å
1042	E	68.2	Low	54.8	Low	88 Å²	88	124 Å²	124	41%	0.411	59%	0.589	S	S	.	*	H	α-helix	trans	-67.1	-36.6	-176.6	-153.2	61	-164.9	0	0	112	E1038 K1045 Q1046	E1038-E1042 PolarHBondContact O-N 2.93Å; E1042-K1045 WeakPolarHBondContact O-CB 3.27Å; E1042-K1045 PolarHBondContact O-N 3.49Å; E1042-K1045 IonicContact OE1-NZ 2.61Å; E1042-Q1046 WeakPolarHBondContact O-CG 3.4Å; E1042-Q1046 PolarHBondContact O-N 3.29Å
1043	K	70.3	Confident	54.4	Low	126 Å²	126	122 Å²	122	55%	0.548	59%	0.589	S	S	.	*	H	α-helix	trans	-61.3	-44.8	171	-179.1	168.2	174.2	171.4	0	112.6	K1039 R1041 K1045 Q1046 E1047	K1039-K1043 PolarHBondContact O-N 3.48Å; R1041-K1043 VanDerWaalsContact C-N 3.34Å; R1041-K1043 PolarHBondContact O-N 3.49Å; K1043-K1045 PolarHBondContact O-N 3.41Å; K1043-Q1046 PolarHBondContact O-N 3.2Å; K1043-E1047 WeakPolarHBondContact CE-OE1 3.5Å; K1043-E1047 HydrophobicContact CG-CG 4.48Å; K1043-E1047 IonicContact NZ-OE1 2.73Å; K1043-E1047 WeakPolarHBondContact O-CG 3.46Å; K1043-E1047 PolarHBondContact O-N 3.03Å
1044	I	63.4	Low	53.8	Low	95 Å²	95	124.1 Å²	124.1	49%	0.487	60%	0.596	S	S	.	*	H	α-helix	trans	-62.6	-33.5	176.4	-69.7	167.3	0	0	0	110.8	R1040 R1041 N1048	R1040-I1044 WeakPolarHBondContact O-CD1 3.47Å; R1040-I1044 WeakPolarHBondContact O-CG1 3.47Å; R1040-I1044 PolarHBondContact O-N 2.83Å; R1041-I1044 PolarHBondContact O-N 3.35Å; I1044-N1048 PolarHBondContact O-N 3.06Å; I1044-N1048 PolarHBondContact O-ND2 3.41Å
1045	K	67.1	Low	53.4	Low	86 Å²	86	123.4 Å²	123.4	37%	0.374	60%	0.602	S	S	.	*	H	α-helix	trans	-66.9	-50	176.8	-159.5	-175.7	172.7	-159.1	0	111.6	R1041 E1042 K1043 E1047 N1048 E1049	R1041-K1045 PolarHBondContact O-N 2.77Å; E1042-K1045 WeakPolarHBondContact O-CB 3.27Å; E1042-K1045 PolarHBondContact O-N 3.49Å; E1042-K1045 IonicContact OE1-NZ 2.61Å; K1043-K1045 PolarHBondContact O-N 3.41Å; K1045-E1047 VanDerWaalsContact C-N 3.34Å; K1045-E1047 PolarHBondContact O-N 3.42Å; K1045-N1048 PolarHBondContact O-N 3.16Å; K1045-N1048 VanDerWaalsContact O-N 3.14Å; K1045-E1049 WeakPolarHBondContact CE-OE1 3.47Å; K1045-E1049 WeakPolarHBondContact O-CG 3.45Å; K1045-E1049 PolarHBondContact O-N 3.18Å
1046	Q	58	Low	52.9	Low	123 Å²	123	125.1 Å²	125.1	58%	0.575	62%	0.619	S	S	*	*	H	α-helix	trans	-60.6	-39.3	176.2	-68.6	175.3	3.9	0	0	112.8	E1042 K1043 N1048 E1049 S1050	E1042-Q1046 WeakPolarHBondContact O-CG 3.4Å; E1042-Q1046 PolarHBondContact O-N 3.29Å; K1043-Q1046 PolarHBondContact O-N 3.2Å; Q1046-N1048 VanDerWaalsContact C-N 3.31Å; Q1046-N1048 PolarHBondContact O-N 3.43Å; Q1046-E1049 PolarHBondContact O-N 3.34Å; Q1046-S1050 PolarHBondContact O-N 3.36Å
1047	E	57.8	Low	51.9	Low	106 Å²	106	128 Å²	128	50%	0.495	63%	0.633	S	S	.	*	H	α-helix	trans	-65.6	-29.9	176.5	-74.7	175.2	168.7	0	0	112.9	K1043 K1045	K1043-E1047 WeakPolarHBondContact CE-OE1 3.5Å; K1043-E1047 HydrophobicContact CG-CG 4.48Å; K1043-E1047 IonicContact NZ-OE1 2.73Å; K1043-E1047 WeakPolarHBondContact O-CG 3.46Å; K1043-E1047 PolarHBondContact O-N 3.03Å; K1045-E1047 VanDerWaalsContact C-N 3.34Å; K1045-E1047 PolarHBondContact O-N 3.42Å
1048	N	50.9	Low	51.3	Low	108 Å²	108	131.2 Å²	131.2	58%	0.578	65%	0.653	S	S	*	*	H	α-helix	trans	-82.5	-35.5	175.2	-79.6	-82.4	0	0	0	113.1	I1044 K1045 Q1046 S1050 M1051	I1044-N1048 PolarHBondContact O-N 3.06Å; I1044-N1048 PolarHBondContact O-ND2 3.41Å; K1045-N1048 PolarHBondContact O-N 3.16Å; K1045-N1048 VanDerWaalsContact O-N 3.14Å; Q1046-N1048 VanDerWaalsContact C-N 3.31Å; Q1046-N1048 PolarHBondContact O-N 3.43Å; N1048-S1050 VanDerWaalsContact C-N 3.26Å; N1048-S1050 PolarHBondContact O-N 3.03Å; N1048-M1051 PolarHBondContact O-N 3.39Å
1049	E	49.6	Very low	49.7	Very low	123 Å²	123	128 Å²	128	58%	0.575	66%	0.657	S	S	*	*	H	α-helix	trans	-67	-27.6	176.8	-72.2	171.2	-172.8	0	0	112	K1045 Q1046 M1051	K1045-E1049 WeakPolarHBondContact CE-OE1 3.47Å; K1045-E1049 WeakPolarHBondContact O-CG 3.45Å; K1045-E1049 PolarHBondContact O-N 3.18Å; Q1046-E1049 PolarHBondContact O-N 3.34Å; E1049-M1051 VanDerWaalsContact C-N 3.31Å; E1049-M1051 PolarHBondContact O-N 3.18Å
1050	S	45.8	Very low	48.2	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-7.2	177.7	-167.6	0	0	0	0	115.7	Q1046 N1048	Q1046-S1050 PolarHBondContact O-N 3.36Å; N1048-S1050 VanDerWaalsContact C-N 3.26Å; N1048-S1050 PolarHBondContact O-N 3.03Å
1051	M	41.1	Very low	46.9	Very low	162 Å²	162	128.6 Å²	128.6	80%	0.798	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	5.9	-175.7	-72.3	-161.1	178.3	0	0	115.1	N1048 E1049	N1048-M1051 PolarHBondContact O-N 3.39Å; E1049-M1051 VanDerWaalsContact C-N 3.31Å; E1049-M1051 PolarHBondContact O-N 3.18Å
1052	Q	33.2	Very low	45.2	Very low	155 Å²	155	127.3 Å²	127.3	72%	0.724	68%	0.684	S	S	*	*			trans	-75.3	125.9	179.1	-70	-66.7	-26	0	0	112.2
1053	P	32.8	Very low	43.5	Very low	103 Å²	103	131.3 Å²	131.3	67%	0.669	70%	0.702	S	S	*	*			trans	-75.3	135.5	179	30.4	-34	0	0	0	111.6	T1055	P1053-T1055 PolarHBondContact O-N 3.33Å
1054	K	33	Very low	41.7	Very low	209 Å²	209	131.5 Å²	131.5	91%	0.909	71%	0.714	S	S	*	*			trans	-73.1	111.6	175.7	-68.2	-177.6	179.3	179.6	0	111
1055	T	33.1	Very low	40.1	Very low	135 Å²	135	131 Å²	131	83%	0.828	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-87.5	137.1	166.6	45.6	0	0	0	0	110.8	P1053	P1053-T1055 PolarHBondContact O-N 3.33Å
1056	V	37	Very low	38.3	Very low	144 Å²	144	135.9 Å²	135.9	87%	0.873	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-99.4	131.3	173.3	175.8	0	0	0	0	108.5
1057	S	33.3	Very low	37	Very low	103 Å²	103	134.9 Å²	134.9	72%	0.72	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-93.5	131.1	177.5	56	0	0	0	0	112.2
1058	N	37.4	Very low	35.7	Very low	172 Å²	172	133.9 Å²	133.9	92%	0.92	77%	0.773	S	S	*	*			trans	-158.8	149.7	146.7	-88.9	-30.1	0	0	0	106.6
1059	G	33.1	Very low	34.9	Very low	67 Å²	67	135.9 Å²	135.9	69%	0.691	78%	0.784	S	S	*	*			trans	-128.3	-169.8	-168.1	0	0	0	0	0	115.1
1060	E	33.4	Very low	34	Very low	191 Å²	191	138.7 Å²	138.7	89%	0.893	80%	0.797	S	S	*	*			trans	62	109.2	166.1	-54.8	177.4	125.3	0	0	114.8
1061	T	38.1	Very low	33.2	Very low	134 Å²	134	142.2 Å²	142.2	82%	0.822	80%	0.801	S	S	*	*				-166.7	-174.1	64.4	28.6	0	0	0	0	112.1
1062	D	33.7	Very low	32.9	Very low	139 Å²	139	145.1 Å²	145.1	74%	0.743	80%	0.804	S	S	*	*			trans	-85.9	177.3	-158.1	-52.3	-93.7	0	0	0	118.9
1063	H	31.8	Very low	32.9	Very low	172 Å²	172	145.3 Å²	145.3	80%	0.796	81%	0.805	S	S	*	*			trans	87.1	113.1	150.4	-74.1	-65.6	0	0	0	122.7
1064	V	31.7	Very low	32.9	Very low	129 Å²	129	146.8 Å²	146.8	78%	0.782	80%	0.802	S	S	*	*				85.6	139.4	128.3	174.2	0	0	0	0	120.7
1065	A	31.2	Very low	32.9	Very low	85 Å²	85	144.3 Å²	144.3	70%	0.702	79%	0.792	S	S	*	*			trans	66.6	131.6	172.2	0	0	0	0	0	116.2
1066	M	28.4	Very low	33	Very low	189 Å²	189	147.4 Å²	147.4	93%	0.931	80%	0.797	S	S	*	*			cis	81.2	114.7	45	-79.7	-170.2	151.6	0	0	115.9
1067	A	30	Very low	32.9	Very low	102 Å²	102	149 Å²	149	84%	0.843	79%	0.792	S	S	*	*			trans	85.5	143.2	148.5	0	0	0	0	0	122
1068	A	31.1	Very low	32.9	Very low	85 Å²	85	152.4 Å²	152.4	70%	0.702	80%	0.797	S	S	*	*			trans	88.7	148.7	150.1	0	0	0	0	0	121.3
1069	N	33.6	Very low	32.8	Very low	150 Å²	150	148 Å²	148	80%	0.802	79%	0.791	S	S	*	*			trans	69.3	110	170.4	-52.2	-7.3	0	0	0	115.3
1070	E	31.4	Very low	32.7	Very low	182 Å²	182	153.9 Å²	153.9	85%	0.85	80%	0.801	S	S	*	*			cis	72	138.3	16.8	-143.8	165.1	-139.8	0	0	115.2
1071	E	29.5	Very low	32.7	Very low	178 Å²	178	149.8 Å²	149.8	83%	0.832	79%	0.793	S	S	*	*			trans	56.1	103.2	179.4	-63.6	-166.5	143.8	0	0	120.8
1072	R	35	Very low	32.5	Very low	223 Å²	223	148.2 Å²	148.2	84%	0.842	79%	0.788	S	S	*	*				-177.2	125.4	116.7	-94.4	159.8	179.9	161.5	8.2	109.5
1073	E	33.4	Very low	32.5	Very low	160 Å²	160	149.7 Å²	149.7	75%	0.748	79%	0.794	S	S	*	*				61.3	135	69.3	-67.6	-171.1	137	0	0	113.4
1074	E	31.2	Very low	32.4	Very low	133 Å²	133	149.9 Å²	149.9	62%	0.621	80%	0.795	S	S	*	*			cis	-167.1	171.7	-17.1	-154.2	-154.9	128.5	0	0	107.8
1075	K	33.2	Very low	32.4	Very low	157 Å²	157	149.7 Å²	149.7	68%	0.683	79%	0.794	S	S	*	*			trans	57.7	101.3	163.3	-55.6	179.5	174.9	70.3	0	118
1076	Q	35.7	Very low	32.3	Very low	200 Å²	200	151.7 Å²	151.7	94%	0.935	80%	0.802	S	S	*	*				-147.4	117.6	118.8	-115.3	168.6	37.2	0	0	111.5
1077	K	34.4	Very low	32.4	Very low	177 Å²	177	145.6 Å²	145.6	77%	0.77	78%	0.782	S	S	*	*			trans	-75.9	168.3	156	-58.4	-179	179.8	-179.1	0	106.9
1078	E	33	Very low	32.5	Very low	176 Å²	176	147.5 Å²	147.5	82%	0.822	78%	0.776	S	S	*	*			cis	-164.8	144.4	31.3	-151.4	144.4	-112.6	0	0	108.6
1079	G	35.7	Very low	32.5	Very low	78 Å²	78	150.6 Å²	150.6	80%	0.804	78%	0.776	S	S	*	*			trans	166	57.4	-175.1	0	0	0	0	0	116.2
1080	Q	32	Very low	32.4	Very low	192 Å²	192	152.4 Å²	152.4	90%	0.897	78%	0.777	S	S	*	*			trans	-82.2	136.2	173.8	-67.6	174.9	-68.7	0	0	111.7
1081	S	31.9	Very low	32.5	Very low	105 Å²	105	150.1 Å²	150.1	73%	0.734	77%	0.771	S	S	*	*				168.2	163.8	107.9	60.1	0	0	0	0	112.9
1082	S	34	Very low	32.5	Very low	101 Å²	101	148.9 Å²	148.9	71%	0.706	77%	0.77	S	S	*	*			trans	68.6	86.8	151.8	-46.5	0	0	0	0	118.7
1083	I	33.5	Very low	32.5	Very low	170 Å²	170	146.1 Å²	146.1	87%	0.872	77%	0.772	S	S	*	*				-176.5	131.5	95.7	-90.3	159.4	0	0	0	109
1084	E	31.5	Very low	32.4	Very low	175 Å²	175	146.4 Å²	146.4	82%	0.818	77%	0.771	S	S	*	*			trans	-100.1	148.7	-175.6	-69.6	174.2	108.8	0	0	113.4	C1086	E1084-C1086 PolarHBondContact O-N 2.93Å
1085	T	30	Very low	32.4	Very low	125 Å²	125	146.2 Å²	146.2	77%	0.767	77%	0.774	S	S	*	*			trans	14.3	93	139.3	-45.6	0	0	0	0	118.1	A1087	T1085-A1087 VanDerWaalsContact C-N 3.35Å; T1085-A1087 HydrophobicContact CG2-CB 4.22Å; T1085-A1087 PolarHBondContact O-N 3.05Å
1086	C	30	Very low	32.4	Very low	128 Å²	128	144.9 Å²	144.9	87%	0.865	77%	0.774	S	S	*	*			trans	-82.9	81.1	152.4	-78	0	0	0	0	110.3	E1084	E1084-C1086 PolarHBondContact O-N 2.93Å
1087	A	30.7	Very low	32.2	Very low	61 Å²	61	141.1 Å²	141.1	50%	0.504	76%	0.76	S	S	.	*			trans	-72.7	134.4	152.6	0	0	0	0	0	107.9	T1085	T1085-A1087 VanDerWaalsContact C-N 3.35Å; T1085-A1087 HydrophobicContact CG2-CB 4.22Å; T1085-A1087 PolarHBondContact O-N 3.05Å
1088	I	32.4	Very low	31.9	Very low	142 Å²	142	139.4 Å²	139.4	73%	0.728	76%	0.76	S	S	*	*			trans	-112.8	87.6	164.5	-59.8	-179.2	0	0	0	105.7	F1090	I1088-F1090 HydrophobicContact CG2-CD2 3.69Å; I1088-F1090 HydrophobicContact CG2-CE2 3.69Å
1089	E	29.6	Very low	31.8	Very low	150 Å²	150	139.3 Å²	139.3	70%	0.701	76%	0.762	S	S	*	*			trans	-70.6	135.9	160	-73.8	151.6	160	0	0	107.8
1090	F	33.4	Very low	31.4	Very low	187 Å²	187	140.3 Å²	140.3	82%	0.82	76%	0.755	S	S	*	*			trans	-122.3	81.5	162.9	-97.8	-74.9	0	0	0	105.1	I1088	I1088-F1090 HydrophobicContact CG2-CD2 3.69Å; I1088-F1090 HydrophobicContact CG2-CE2 3.69Å
1091	D	33.5	Very low	31.2	Very low	134 Å²	134	138.1 Å²	138.1	72%	0.717	75%	0.749	S	S	*	*			trans	-66.1	151.3	175.1	-78.1	-56.8	0	0	0	111
1092	N	29.2	Very low	31.1	Very low	153 Å²	153	139 Å²	139	82%	0.818	75%	0.745	S	S	*	*			trans	-88.8	130.2	163.6	-60.9	-108.1	0	0	0	105.2
1093	D	34.5	Very low	30.7	Very low	165 Å²	165	140.8 Å²	140.8	88%	0.882	75%	0.747	S	S	*	*			trans	-126.1	149.7	154.8	-121.2	-32.5	0	0	0	110.1
1094	K	31	Very low	30.3	Very low	165 Å²	165	137.8 Å²	137.8	72%	0.717	74%	0.741	S	S	*	*			trans	-113.2	178.3	-172.7	-71.8	178.8	152.1	-162.5	0	111.4
1095	D	32.3	Very low	30.2	Very low	129 Å²	129	134.6 Å²	134.6	69%	0.69	74%	0.738	S	S	*	*			trans	86.7	155.6	141.9	-62.4	-34	0	0	0	117.8
1096	N	32	Very low	30	Very low	129 Å²	129	135 Å²	135	69%	0.69	73%	0.734	S	S	*	*			trans	82.6	84.2	162.5	-60.8	-51.9	0	0	0	119.6
1097	N	32.2	Very low	29.8	Very low	121 Å²	121	137.8 Å²	137.8	65%	0.647	73%	0.728	S	S	*	*				95.6	123.1	112.4	-62.9	-27.2	0	0	0	120.3
1098	N	28.5	Very low	29.7	Very low	141 Å²	141	142 Å²	142	75%	0.754	74%	0.737	S	S	*	*				33.6	105.4	125.5	-54	-13	0	0	0	117.6
1099	M	30.6	Very low	29.5	Very low	175 Å²	175	142.1 Å²	142.1	86%	0.862	74%	0.739	S	S	*	*				-171.7	121.7	98.5	-92.8	174.6	75.9	0	0	107.8
1100	C	25.8	Very low	29.6	Very low	99 Å²	99	138.1 Å²	138.1	67%	0.669	74%	0.738	S	S	*	*				73.2	116.2	73.3	-74	0	0	0	0	114.3
1101	L	28	Very low	29.4	Very low	146 Å²	146	134.1 Å²	134.1	76%	0.764	73%	0.733	S	S	*	*			trans	83.9	129	140.3	-62.9	169.5	0	0	0	120.9
1102	N	29.5	Very low	29.1	Very low	123 Å²	123	132.7 Å²	132.7	66%	0.658	73%	0.734	S	S	*	*			trans	78.5	104.8	131.2	-67.1	-3.4	0	0	0	121
1103	N	25.7	Very low	29	Very low	138 Å²	138	130.4 Å²	130.4	74%	0.738	73%	0.73	S	S	*	*				51.4	114.3	105	-71.5	-4.3	0	0	0	119.1
1104	S	26.3	Very low	28.6	Very low	107 Å²	107	130.4 Å²	130.4	75%	0.748	73%	0.729	S	S	*	*				82	165	126.7	-59.2	0	0	0	0	118.7
1105	S	28.6	Very low	28.5	Very low	108 Å²	108	127.2 Å²	127.2	76%	0.755	73%	0.726	S	S	*	*			trans	75.6	144.5	175.3	-66.8	0	0	0	0	118.2
1106	I	25.8	Very low	28.1	Very low	134 Å²	134	127.9 Å²	127.9	69%	0.687	73%	0.729	S	S	*	*			cis	-172.7	127.1	-40.6	-112.9	159.2	0	0	0	106.6
1107	Y	26	Very low	28	Very low	186 Å²	186	129.6 Å²	129.6	73%	0.729	73%	0.734	S	S	*	*			trans	64.8	166.6	152.7	-78.3	-128.7	0	0	0	121.5
1108	H	28.9	Very low	27.9	Very low	151 Å²	151	128.5 Å²	128.5	70%	0.699	74%	0.735	S	S	*	*			trans	65.7	123.5	150.1	-71.8	-48.8	0	0	0	117.3
1109	N	28.1	Very low	28.1	Very low	144 Å²	144	128.6 Å²	128.6	77%	0.77	73%	0.734	S	S	*	*			cis	-163.1	173.9	19.6	-94.9	-38.1	0	0	0	111.4
1110	G	31.8	Very low	28	Very low	66 Å²	66	127.5 Å²	127.5	68%	0.68	73%	0.727	S	S	*	*			trans	114.9	80.3	169	0	0	0	0	0	113.1
1111	S	28.1	Very low	28.2	Very low	102 Å²	102	130.3 Å²	130.3	71%	0.713	73%	0.73	S	S	*	*				82.1	137.2	52.8	-53.7	0	0	0	0	114.1
1112	S	28.6	Very low	28.5	Very low	105 Å²	105	127.3 Å²	127.3	73%	0.734	72%	0.718	S	S	*	*			trans	59.3	119	179	40.1	0	0	0	0	116.2
1113	S	26	Very low	28.5	Very low	105 Å²	105	125.9 Å²	125.9	73%	0.734	71%	0.709	S	S	*	*			cis	74.4	152.3	46.1	86.6	0	0	0	0	114.4
1114	L	27.7	Very low	28.8	Very low	165 Å²	165	125.5 Å²	125.5	86%	0.864	71%	0.706	S	S	*	*			trans	81.9	137.4	-171.6	-55.6	167.8	0	0	0	114.1
1115	C	27	Very low	29.2	Very low	98 Å²	98	128.9 Å²	128.9	66%	0.662	71%	0.71	S	S	*	*			cis	-153.4	155.3	-14.6	-164.6	0	0	0	0	111.5
1116	N	25.8	Very low	29.2	Very low	142 Å²	142	129.9 Å²	129.9	76%	0.759	71%	0.707	S	S	*	*			trans	-54.5	151.4	157.4	-43.3	-76	0	0	0	110.8
1117	Q	29	Very low	29.4	Very low	166 Å²	166	129.7 Å²	129.7	78%	0.776	71%	0.708	S	S	*	*				-170.8	136.7	126.3	-143.7	76.4	22.5	0	0	110.5
1118	S	30.4	Very low	29.6	Very low	97 Å²	97	126.6 Å²	126.6	68%	0.678	71%	0.707	S	S	*	*			trans	53.5	138.1	151	-65.3	0	0	0	0	120.8
1119	I	31.8	Very low	29.6	Very low	143 Å²	143	125.1 Å²	125.1	73%	0.733	71%	0.708	S	S	*	*			cis	-156.3	129.5	4.4	-112.6	158.6	0	0	0	105.5
1120	H	28.2	Very low	29.7	Very low	152 Å²	152	123.9 Å²	123.9	70%	0.704	70%	0.704	S	S	*	*				33.8	118.6	111.7	-88.3	-120	0	0	0	113.1
1121	E	30.9	Very low	29.6	Very low	159 Å²	159	127.8 Å²	127.8	74%	0.743	71%	0.705	S	S	*	*			cis	174.8	167.9	49	-106.1	161.6	-160.8	0	0	105.6
1122	T	33.5	Very low	29.7	Very low	82 Å²	82	129.6 Å²	129.6	50%	0.503	71%	0.705	S	S	.	*			cis	-154	141.3	7.1	-130	0	0	0	0	110.4
1123	I	31	Very low	29.7	Very low	93 Å²	93	131.5 Å²	131.5	48%	0.477	70%	0.702	S	S	.	*			trans	49.7	147	147.1	-52.5	175	0	0	0	119.5	S999 I1000	S999-I1123 WeakPolarHBondContact O-CB 3.29Å; S999-I1123 WeakPolarHBondContact O-CG2 3.33Å; I1000-I1123 WeakPolarHBondContact CB-O 3.4Å; I1000-I1123 PolarHBondContact N-O 3.22Å; I1000-I1123 CarbonylContact O-C 3.5Å
1124	I	30.9	Very low	30.1	Very low	130 Å²	130	133.8 Å²	133.8	67%	0.667	70%	0.7	S	S	*	*			cis	176.3	104	-49.2	-90.1	156.5	0	0	0	106	I1000 S1001	I1000-I1124 CarbonylContact O-C 3.58Å; I1000-I1124 PolarHBondContact O-N 3.45Å; I1000-I1124 VanDerWaalsContact O-O 3.09Å; S1001-I1124 WeakPolarHBondContact CB-O 3.42Å
1125	E	34.4	Very low	30.3	Very low	178 Å²	178	130.9 Å²	130.9	83%	0.832	69%	0.685	S	S	*	*			trans	179.3	0	130.3	-85	174.6	172.4	0	0	108	I1000 S1001 S1002	I1000-E1125 PolarHBondContact O-N 3.45Å; S1001-E1125 WeakPolarHBondContact CB-OE2 3.37Å; S1001-E1125 PolarHBondContact OG-OE2 3.39Å; S1002-E1125 WeakPolarHBondContact CA-O 3.2Å; S1002-E1125 VanDerWaalsContact N-CB 3.3Å; S1002-E1125 PolarHBondContact N-O 2.98Å; S1002-E1125 PolarHBondContact OG-OE2 3.14Å

Retrieved 1,125 of 1,125 residues in 173.6 ms (Link to these results)

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