A0A087Y702_POEFO Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A087Y702, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,162 aa.

						>A0A087Y702_POEFO|A0A087Y702
MTIVDRLSEKSDHESVGFNRSFTSGDVGMDGSCSSSWAVGPSMPGDSPRLKPSGGCLGPTPGAAVYNGTPASVDRPKDQVMSSEDGIELPQKVLFPPERLSLKWIQVHRIGAGLQNMGNTCFLNSALQCLTYTPPLANFMLSREHSKTCHEPGFCMMCTMQNHIIQVFANSGNVIKPIGVLNELKRIAKHFRYGSQEDAHEFLRYTVDAMQKSCLPGTKLDRQTQATTFIHQVFGGYLRSRVKCLNCKSVSDTFDPFLDITLEIKTAPSVSKALEQFVKPEQLDGENAYKCTKCKKMVTASKRFTIHRSPNVLTLSLKRFANFTGGKITKDVKYPEYLELRPFMSQSQGEPQIYGLYAVLVHSGFSCHAGHYFCYIKASNGQWYQMNDSSVSVSDIRSVLNQQAYVLFYIKPCNVKKTGEFSNVSHNPGMSGQSSPRPVVTPRIHTAVHHGNTGFIGPQLPPHMTKNTLHVNGNGSLRDYPSNSKASSSAVGKPSHGLASSSISHSISRPTSIPDQEKRQKLSFFIGQGKQNRASSSSAYSHPSSASSSSSSSLSSSQSTSDVHFVPRQLNHFNGTPSSNGDQPTGGNGSSLLVPYSQESSEESDQENSTTQDAGCISKSQTKGTNGTGDVCASSSKNTNGETDVCHNSSEVNGSTSEFTKTNQNGQFNGNHKVNGLNTHEKVNGSIHNQDRSAVNAVANGLGSDHNEPNKELVDPASSQTCSAHSAPPAANEREPLSAAVDERATMLPEPLPPPHHTSSSAVGSSSSVTASKTHTVAPRELSAFPSEPVCCSSANGISAAAQNISKTEEEVKDSSQTNGPSARQDSGTENKEQSQSKPSSRGHERQSSYDRDRDRFYPDYSKDRDRHYRDRSPPRESYSDRHRYRRDYRDHHRSYRDRFPPERSYWDFDRRKERLSSHSWEHDRDRRSYHSSHCYHRYDGDHERRGYPHPQESHSYWRSQKDGREYWAMKDKRNGWDREERSSSPAATALETNKPKDRLCNFNSTLKREEPSDKRPAAHLRKEREDSSEGRRHCKCMNKSKERKWRLKVNIHQFLRSSDPDSDRATESRKKKKKKRRHRDSDSESGQGHANRSSKERENRKRHHSDTKDSRYDKDFLPEKRQRTDCSDGSRDQPLPPHHSALSNHSAHQHLNGHTGTATVT
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.5	Very low	26.3	Very low	248 Å²	248	162.2 Å²	162.2	100%	1.222	84%	0.838	S	S	*	*				0	139.2	0	-152	164.1	-174.6	0	0	107.6
2	T	26.8	Very low	26.3	Very low	119 Å²	119	160.5 Å²	160.5	73%	0.73	83%	0.832	S	S	*	*			trans	-119.6	132.1	-160	42.3	0	0	0	0	113.5
3	I	25.6	Very low	26.4	Very low	169 Å²	169	160.2 Å²	160.2	87%	0.867	82%	0.823	S	S	*	*			trans	-147.8	106.8	160.9	-53.2	178.4	0	0	0	103.7
4	V	24.4	Very low	26.4	Very low	103 Å²	103	160.4 Å²	160.4	62%	0.624	82%	0.819	S	S	*	*			cis	73.6	102	32.5	-168.4	0	0	0	0	113.4
5	D	24.4	Very low	26.5	Very low	138 Å²	138	157.5 Å²	157.5	74%	0.738	82%	0.819	S	S	*	*			trans	156.9	160.4	141.4	-88.3	-25.6	0	0	0	110.5
6	R	26.9	Very low	26.5	Very low	231 Å²	231	157.2 Å²	157.2	87%	0.872	83%	0.826	S	S	*	*			cis	-165.9	166.2	-47.1	-132.7	175.2	167.5	173.4	-6.2	106.5
7	L	26.6	Very low	26.4	Very low	174 Å²	174	152.6 Å²	152.6	91%	0.911	83%	0.826	S	S	*	*			trans	-75.7	159.1	175.7	-74.1	159.6	0	0	0	111.8
8	S	26.1	Very low	26.3	Very low	118 Å²	118	154.1 Å²	154.1	83%	0.825	82%	0.823	S	S	*	*			trans	-126	111.5	165.8	-173.2	0	0	0	0	109.6
9	E	24.2	Very low	26.2	Very low	186 Å²	186	154.2 Å²	154.2	87%	0.869	82%	0.824	S	S	*	*			trans	-90.3	-169	157.8	-69.5	-173.3	101.5	0	0	109.7
10	K	26.4	Very low	26.2	Very low	196 Å²	196	157.2 Å²	157.2	85%	0.852	82%	0.823	S	S	*	*			trans	-111.6	-169.2	-179.3	-64.7	-178.7	176.7	179.5	0	110.9
11	S	28	Very low	26.3	Very low	102 Å²	102	155 Å²	155	71%	0.713	82%	0.821	S	S	*	*			trans	84.4	142.7	172.5	74.7	0	0	0	0	116.5
12	D	26.6	Very low	26.1	Very low	142 Å²	142	152.3 Å²	152.3	76%	0.759	80%	0.803	S	S	*	*			cis	-163.4	-171.4	-19.9	-103.5	-28.6	0	0	0	111.2
13	H	27.7	Very low	26.1	Very low	156 Å²	156	153.7 Å²	153.7	72%	0.722	81%	0.811	S	S	*	*			trans	78.4	128.6	176.4	-57.3	-67.4	0	0	0	115.9
14	E	26.3	Very low	26.3	Very low	164 Å²	164	151.7 Å²	151.7	77%	0.766	81%	0.812	S	S	*	*			cis	92.2	109.1	37	-74.9	-171.4	116.8	0	0	114.5
15	S	28.5	Very low	26.5	Very low	117 Å²	117	150 Å²	150	82%	0.818	82%	0.816	S	S	*	*				-176.8	132.9	112	34.7	0	0	0	0	114.3
16	V	25.5	Very low	26.7	Very low	152 Å²	152	151.5 Å²	151.5	92%	0.921	82%	0.824	S	S	*	*			trans	22.6	120.6	141.6	-169.2	0	0	0	0	119.8
17	G	25.5	Very low	27.1	Very low	80 Å²	80	146.8 Å²	146.8	83%	0.825	82%	0.821	S	S	*	*			trans	-168.1	113.4	163.3	0	0	0	0	0	112.9
18	F	24.8	Very low	27.2	Very low	179 Å²	179	141.6 Å²	141.6	79%	0.785	81%	0.809	S	S	*	*			trans	-104.2	122.9	-172.4	-141.5	-100.5	0	0	0	110.9
19	N	24.5	Very low	27.6	Very low	156 Å²	156	144.7 Å²	144.7	83%	0.834	81%	0.813	S	S	*	*				-170.5	176.4	129.4	-111.3	-40.6	0	0	0	115
20	R	26.8	Very low	27.9	Very low	213 Å²	213	142.7 Å²	142.7	80%	0.804	81%	0.808	S	S	*	*			trans	-115.3	158.8	-161.5	-57.5	175.5	174.3	-176.3	-1.3	114.4
21	S	26.9	Very low	28	Very low	113 Å²	113	137.1 Å²	137.1	79%	0.79	81%	0.806	S	S	*	*				119.3	146	129	-155.3	0	0	0	0	117.8
22	F	26.5	Very low	28.2	Very low	191 Å²	191	137.7 Å²	137.7	84%	0.838	81%	0.81	S	S	*	*			trans	-69.9	151.9	178.3	-54.1	-107.3	0	0	0	113.2
23	T	26.3	Very low	28.2	Very low	147 Å²	147	136.7 Å²	136.7	90%	0.902	81%	0.813	S	S	*	*				-156	168.5	125.7	24.6	0	0	0	0	110.4
24	S	30.3	Very low	28.5	Very low	127 Å²	127	134.6 Å²	134.6	89%	0.888	82%	0.815	S	S	*	*			trans	-88.6	142.5	163.9	174.6	0	0	0	0	109.6
25	G	28.5	Very low	29.1	Very low	69 Å²	69	132.4 Å²	132.4	71%	0.711	82%	0.819	S	S	*	*			trans	151.9	126.7	164.6	0	0	0	0	0	117
26	D	28.8	Very low	29.5	Very low	169 Å²	169	130.9 Å²	130.9	90%	0.904	81%	0.808	S	S	*	*			trans	62.7	-166.3	143.2	-102	10.6	0	0	0	121.9
27	V	34.2	Very low	29.8	Very low	132 Å²	132	135.4 Å²	135.4	80%	0.8	81%	0.809	S	S	*	*			trans	-114.1	145.6	-136.7	-164	0	0	0	0	113.6
28	G	29.3	Very low	30.3	Very low	64 Å²	64	135.7 Å²	135.7	66%	0.66	80%	0.803	S	S	*	*			trans	115.2	109.1	135.7	0	0	0	0	0	120.4
29	M	33.3	Very low	30.9	Very low	183 Å²	183	134.7 Å²	134.7	90%	0.901	81%	0.811	S	S	*	*				68.9	171	126.6	-92.2	152.1	63.7	0	0	122.7
30	D	30.8	Very low	31.1	Very low	145 Å²	145	130.6 Å²	130.6	78%	0.775	81%	0.806	S	S	*	*			trans	-66.9	172.7	-148	45.4	-77.7	0	0	0	122.7
31	G	29.3	Very low	33	Very low	78 Å²	78	126.8 Å²	126.8	80%	0.804	81%	0.809	S	S	*	*			trans	151.1	123.4	160.6	0	0	0	0	0	119.6
32	S	32.3	Very low	33.4	Very low	115 Å²	115	127.3 Å²	127.3	80%	0.804	81%	0.813	S	S	*	*			trans	-96	168.2	-166	-51.2	0	0	0	0	120
33	C	27	Very low	34.4	Very low	121 Å²	121	127 Å²	127	82%	0.818	82%	0.816	S	S	*	*			trans	100.1	110.7	141.6	-69.6	0	0	0	0	126.8
34	S	34	Very low	36.2	Very low	111 Å²	111	122.6 Å²	122.6	78%	0.776	79%	0.79	S	S	*	*				85	134.9	124.9	-60.2	0	0	0	0	128.2
35	S	38.2	Very low	36.4	Very low	119 Å²	119	118 Å²	118	83%	0.832	76%	0.762	S	S	*	*			trans	98.2	161.4	162.8	76.6	0	0	0	0	120.6
36	S	36.5	Very low	37	Very low	85 Å²	85	120.6 Å²	120.6	59%	0.594	76%	0.76	S	S	*	*			cis	-173.8	168.1	-31.8	-83.3	0	0	0	0	114.7
37	W	32.9	Very low	37.3	Very low	247 Å²	247	115.5 Å²	115.5	94%	0.936	74%	0.738	S	S	*	*			trans	76.6	171.2	162.3	-46.7	125.7	0	0	0	120.2
38	A	35.3	Very low	38.5	Very low	85 Å²	85	114.1 Å²	114.1	70%	0.702	73%	0.731	S	S	*	*			cis	-173.8	-179.1	-33.8	0	0	0	0	0	109.4
39	V	36.3	Very low	38.8	Very low	158 Å²	158	121.7 Å²	121.7	96%	0.958	74%	0.74	S	S	*	*			cis	-163	173.7	2.1	-120.6	0	0	0	0	112.1
40	G	29	Very low	38.9	Very low	71 Å²	71	119.9 Å²	119.9	73%	0.732	73%	0.733	S	S	*	*			trans	164.1	-171	169.2	0	0	0	0	0	115.1
41	P	66.6	Low	39	Very low	132 Å²	132	120 Å²	120	86%	0.857	73%	0.727	S	S	*	*			cis	-135.9	-157.6	-27.3	42.7	-22.1	0	0	0	115.2
42	S	36.6	Very low	39.9	Very low	125 Å²	125	122.6 Å²	122.6	87%	0.874	73%	0.73	S	S	*	*			trans	-160.8	150.2	173.2	-76.1	0	0	0	0	118.8
43	M	47.3	Very low	40	Very low	184 Å²	184	123.3 Å²	123.3	91%	0.906	74%	0.735	S	S	*	*			trans	-171.2	0	-172.6	-108	-72.1	-111.6	0	0	114
44	P	63.4	Low	40.3	Very low	54 Å²	54	121.8 Å²	121.8	35%	0.351	74%	0.739	S	S	.	*				0	-137.5	0	46.4	-25.1	0	0	0	117.4	S618 K619	P44-S618 WeakPolarHBondContact CB-OG 3.37Å; P44-S618 VanDerWaalsContact CG-OG 3.26Å; P44-S618 WeakPolarHBondContact CG-OG 3.41Å; P44-K619 HydrophobicContact CG-CG 4.49Å; P44-K619 WeakPolarHBondContact O-CE 3.47Å; P44-K619 VanDerWaalsContact O-CG 3.28Å; P44-K619 WeakPolarHBondContact O-CG 3.39Å; P44-K619 PolarHBondContact O-NZ 3.48Å
45	G	35.8	Very low	40.2	Very low	30 Å²	30	120.3 Å²	120.3	31%	0.309	74%	0.741	S	S	.	*			trans	155.4	120.3	163	0	0	0	0	0	129.4	I617 S618	G45-I617 WeakPolarHBondContact O-CG2 2.93Å; G45-S618 CarbonylContact C-O 3.45Å; G45-S618 VanDerWaalsContact CA-O 3.26Å; G45-S618 WeakPolarHBondContact CA-O 3.46Å; G45-S618 PolarHBondContact N-OG 2.77Å
46	D	40.3	Very low	39.8	Very low	124 Å²	124	120.7 Å²	120.7	66%	0.663	74%	0.742	S	S	*	*			trans	60.7	140	158.1	-116.3	-41.4	0	0	0	132.8	I617 S618	D46-I617 VanDerWaalsContact O-CB 3.25Å; D46-I617 WeakPolarHBondContact O-CB 3.05Å; D46-I617 WeakPolarHBondContact O-CD1 3.34Å; D46-I617 WeakPolarHBondContact O-CG1 2.9Å; D46-S618 PolarHBondContact N-O 3.03Å
47	S	34.2	Very low	39.6	Very low	63 Å²	63	125.2 Å²	125.2	44%	0.441	76%	0.759	S	S	.	*			trans	-163.1	0	-173.1	-143.2	0	0	0	0	118.1	C616	S47-C616 WeakPolarHBondContact CB-O 3.25Å
48	P	61	Low	39.2	Very low	102 Å²	102	117 Å²	117	66%	0.662	75%	0.751	S	S	*	*				0	0	0	44.9	-22	0	0	0	119
49	R	35.3	Very low	40	Very low	223 Å²	223	118.7 Å²	118.7	84%	0.842	76%	0.755	S	S	*	*				0	142.8	0	-128.9	-162.2	-179.4	-169	1.7	127.6
50	L	35.2	Very low	39.7	Very low	145 Å²	145	117.6 Å²	117.6	76%	0.759	75%	0.749	S	S	*	*			trans	77.2	156.1	155.7	-72.7	174.7	0	0	0	127
51	K	32.4	Very low	40.4	Very low	149 Å²	149	120.3 Å²	120.3	65%	0.648	75%	0.754	S	S	*	*			trans	-150.8	166.6	-169.7	-58.5	-171.8	178.4	-174.4	0	117.8	D613	K51-D613 IonicContact NZ-OD2 2.73Å; K51-D613 PolarHBondContact NZ-OD2 3.12Å
52	P	49.2	Very low	38.5	Very low	132 Å²	132	117.6 Å²	117.6	86%	0.857	75%	0.749	S	S	*	*			trans	-133.6	-174.4	-170.3	43.9	-27.5	0	0	0	120.9
53	S	32.7	Very low	38.3	Very low	130 Å²	130	116.8 Å²	116.8	91%	0.909	75%	0.751	S	S	*	*			trans	-159.1	137.1	178.7	64.3	0	0	0	0	121.8
54	G	33.3	Very low	37.7	Very low	88 Å²	88	113 Å²	113	91%	0.907	75%	0.748	S	S	*	*			trans	159.8	171.3	167.6	0	0	0	0	0	115.7
55	G	31.9	Very low	36.2	Very low	80 Å²	80	117.3 Å²	117.3	83%	0.825	77%	0.773	S	S	*	*			cis	171.3	139.4	-15.5	0	0	0	0	0	118.3
56	C	29.9	Very low	36	Very low	127 Å²	127	126.6 Å²	126.6	86%	0.858	80%	0.801	S	S	*	*			trans	58.8	124.4	157.5	-64	0	0	0	0	129.3
57	L	32.7	Very low	35.3	Very low	181 Å²	181	128.5 Å²	128.5	95%	0.948	81%	0.811	S	S	*	*			trans	45.4	135.6	136.3	-57.1	174.9	0	0	0	127
58	G	25.4	Very low	35.3	Very low	75 Å²	75	129.2 Å²	129.2	77%	0.773	83%	0.828	S	S	*	*			trans	167.8	153.1	159.4	0	0	0	0	0	117
59	P	50.9	Low	33.9	Very low	120 Å²	120	130.3 Å²	130.3	78%	0.779	83%	0.833	S	S	*	*			trans	-132.1	-179.8	-166	43.8	-29	0	0	0	120.6
60	T	31.6	Very low	33.8	Very low	134 Å²	134	125.8 Å²	125.8	82%	0.822	83%	0.832	S	S	*	*			trans	84.6	157.7	159.5	32.8	0	0	0	0	120.6
61	P	41.8	Very low	33.6	Very low	129 Å²	129	123 Å²	123	84%	0.838	83%	0.83	S	S	*	*			trans	-132.5	171.3	-135.4	44.9	-30.4	0	0	0	119
62	G	28.6	Very low	33.6	Very low	74 Å²	74	121.4 Å²	121.4	76%	0.763	84%	0.838	S	S	*	*			trans	158.8	116.5	156.2	0	0	0	0	0	117.8
63	A	31.3	Very low	32.8	Very low	109 Å²	109	121.5 Å²	121.5	90%	0.901	84%	0.836	S	S	*	*			trans	42.8	122.9	159.3	0	0	0	0	0	121.9
64	A	35.2	Very low	32.5	Very low	104 Å²	104	122.3 Å²	122.3	86%	0.86	83%	0.83	S	S	*	*			trans	-152.1	171.5	167	0	0	0	0	0	113
65	V	31.3	Very low	32.4	Very low	145 Å²	145	127 Å²	127	88%	0.879	82%	0.82	S	S	*	*			trans	-90.9	155.5	-164.8	178	0	0	0	0	114.1
66	Y	30.9	Very low	32.3	Very low	225 Å²	225	128.7 Å²	128.7	88%	0.882	82%	0.817	S	S	*	*			trans	-61.8	131.9	-179.2	-84.8	-103.8	0	0	0	115.2
67	N	27.4	Very low	32.2	Very low	164 Å²	164	132 Å²	132	88%	0.877	82%	0.816	S	S	*	*			trans	-155.7	128.4	139.3	-127.6	-15.4	0	0	0	110.1	T69	N67-T69 PolarHBondContact O-N 2.82Å
68	G	33.5	Very low	32.2	Very low	78 Å²	78	128.8 Å²	128.8	80%	0.804	80%	0.801	S	S	*	*			trans	-94.8	75.8	-159.5	0	0	0	0	0	116.4
69	T	31.3	Very low	32.4	Very low	125 Å²	125	133.6 Å²	133.6	77%	0.767	80%	0.803	S	S	*	*			trans	-102.5	120.7	172	-55.7	0	0	0	0	111	N67 A71	N67-T69 PolarHBondContact O-N 2.82Å; T69-A71 PolarHBondContact O-N 3.24Å
70	P	33.8	Very low	31.8	Very low	127 Å²	127	133.4 Å²	133.4	83%	0.825	80%	0.799	S	S	*	*			trans	-75.7	98.5	177.3	30	-33	0	0	0	110.8
71	A	29.9	Very low	31.8	Very low	86 Å²	86	134 Å²	134	71%	0.711	79%	0.794	S	S	*	*			trans	-70.2	149.9	173.5	0	0	0	0	0	111.9	T69 V73	T69-A71 PolarHBondContact O-N 3.24Å; A71-V73 PolarHBondContact O-N 3.01Å
72	S	32.9	Very low	31.5	Very low	117 Å²	117	132.2 Å²	132.2	82%	0.818	79%	0.785	S	S	*	*			trans	-45.9	104.8	173.3	176	0	0	0	0	112.8
73	V	32.8	Very low	32.6	Very low	134 Å²	134	130 Å²	130	81%	0.812	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-70	130.5	157	-179.2	0	0	0	0	107.1	A71 R75	A71-V73 PolarHBondContact O-N 3.01Å; V73-R75 PolarHBondContact O-N 2.73Å
74	D	26.9	Very low	34.2	Very low	146 Å²	146	134.7 Å²	134.7	78%	0.781	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-47.7	127.8	170.9	-92.8	-60.4	0	0	0	110
75	R	29.8	Very low	36.3	Very low	186 Å²	186	132.2 Å²	132.2	70%	0.702	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-55.5	145.9	158.1	-73.4	-172.8	176.7	-170.2	0.8	107.2	V73 K77 D78	V73-R75 PolarHBondContact O-N 2.73Å; R75-K77 PolarHBondContact O-N 3.3Å; R75-K77 VanDerWaalsContact O-N 3.12Å; R75-D78 IonicContact NH1-OD2 3.69Å; R75-D78 PolarHBondContact NH1-OD2 3.04Å
76	P	29.6	Very low	38.6	Very low	116 Å²	116	127.6 Å²	127.6	75%	0.753	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-47.1	129	154.1	-17.9	30.1	0	0	0	106.5	D78	P76-D78 PolarHBondContact O-N 3.07Å
77	K	27.9	Very low	41.3	Very low	196 Å²	196	117.1 Å²	117.1	85%	0.852	67%	0.674	S	S	*	*			trans	-48.2	112.9	172.8	-81.7	-179.1	176.8	175.1	0	106.1	R75 Q79	R75-K77 PolarHBondContact O-N 3.3Å; R75-K77 VanDerWaalsContact O-N 3.12Å; K77-Q79 VanDerWaalsContact C-N 3.33Å; K77-Q79 PolarHBondContact O-N 2.71Å
78	D	34	Very low	44.1	Very low	115 Å²	115	116 Å²	116	62%	0.615	66%	0.664	S	S	*	*			trans	-53.9	106	-177.4	-84.3	-55.6	0	0	0	105.4	R75 P76 V80	R75-D78 IonicContact NH1-OD2 3.69Å; R75-D78 PolarHBondContact NH1-OD2 3.04Å; P76-D78 PolarHBondContact O-N 3.07Å; D78-V80 PolarHBondContact O-N 2.82Å
79	Q	29.9	Very low	46.6	Very low	176 Å²	176	117.3 Å²	117.3	82%	0.822	65%	0.652	S	S	*	*			trans	-68.3	90.9	172.1	-80	-170.3	-2.3	0	0	103.8	K77 M81	K77-Q79 VanDerWaalsContact C-N 3.33Å; K77-Q79 PolarHBondContact O-N 2.71Å; Q79-M81 PolarHBondContact O-N 3.15Å
80	V	36.9	Very low	49.3	Very low	115 Å²	115	113.3 Å²	113.3	70%	0.697	63%	0.628	S	S	*	*			trans	-55.9	99.3	170	178.7	0	0	0	0	104.6	D78 S82	D78-V80 PolarHBondContact O-N 2.82Å; V80-S82 PolarHBondContact O-N 3.03Å; V80-S82 PolarHBondContact O-OG 3.41Å
81	M	33.3	Very low	51.9	Low	146 Å²	146	115.4 Å²	115.4	72%	0.719	63%	0.627	S	S	*	*			trans	-70.2	72.7	175.2	-69.6	-167.1	74	0	0	106.8	Q79 S83 L89	Q79-M81 PolarHBondContact O-N 3.15Å; M81-S83 PolarHBondContact O-N 2.73Å; M81-L89 HydrophobicContact CB-CD1 4.17Å; M81-L89 WeakPolarHBondContact O-CD1 3.07Å
82	S	34.9	Very low	54.6	Low	92 Å²	92	117.6 Å²	117.6	64%	0.643	62%	0.62	S	S	*	*			trans	-56.5	110.9	174.5	-60.5	0	0	0	0	106.3	V80 E84	V80-S82 PolarHBondContact O-N 3.03Å; V80-S82 PolarHBondContact O-OG 3.41Å; S82-E84 PolarHBondContact O-N 3.01Å
83	S	51.3	Low	57.4	Low	29 Å²	29	115.6 Å²	115.6	20%	0.203	60%	0.603	C	S	.	*			trans	-54	113	-178.7	-52.3	0	0	0	0	109.7	M81 D85 G86 I87 L89	M81-S83 PolarHBondContact O-N 2.73Å; S83-D85 WeakPolarHBondContact CB-OD1 3.26Å; S83-D85 PolarHBondContact O-N 3.36Å; S83-G86 PolarHBondContact O-N 2.81Å; S83-I87 WeakPolarHBondContact CB-O 3.33Å; S83-I87 PolarHBondContact OG-O 3.14Å; S83-L89 WeakPolarHBondContact OG-CD2 3.28Å
84	E	64.4	Low	60.1	Low	206 Å²	206	111.6 Å²	111.6	96%	0.963	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-20.1	-179.3	-63	-174.3	115.7	0	0	112.7	S82	S82-E84 PolarHBondContact O-N 3.01Å
85	D	79.4	Confident	63.2	Low	52 Å²	52	105.4 Å²	105.4	28%	0.278	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-13.1	-179.3	77.5	-2.2	0	0	0	114.5	S83 I87 F254 H307 R308	S83-D85 WeakPolarHBondContact CB-OD1 3.26Å; S83-D85 PolarHBondContact O-N 3.36Å; D85-I87 PolarHBondContact OD1-N 3.26Å; D85-F254 WeakPolarHBondContact O-CZ 3.02Å; D85-H307 WeakPolarHBondContact CB-NE2 3.43Å; D85-H307 PolarHBondContact O-CE1 3.19Å; D85-H307 PolarHBondContact O-NE2 3.35Å; D85-H307 IonicContact OD2-NE2 3.75Å; D85-R308 VanDerWaalsContact CG-NH2 3.25Å; D85-R308 IonicContact OD1-CZ 3.54Å; D85-R308 IonicContact OD1-NH2 3.89Å; D85-R308 PolarHBondContact OD1-NH2 3.28Å; D85-R308 IonicContact OD2-CZ 2.85Å; D85-R308 IonicContact OD2-NE 2.76Å; D85-R308 PolarHBondContact OD2-NE 2.97Å; D85-R308 IonicContact OD2-NH2 3.67Å; D85-R308 PolarHBondContact OD2-NH2 2.71Å
86	G	80.2	Confident	66.1	Low	48 Å²	48	98.9 Å²	98.9	50%	0.495	53%	0.525	S	S	.	.	S	Bend	trans	90.3	7.7	177.3	0	0	0	0	0	115.6	S83 F254	S83-G86 PolarHBondContact O-N 2.81Å; G86-F254 VanDerWaalsContact O-CE2 3.26Å; G86-F254 WeakPolarHBondContact O-CE2 3.41Å
87	I	86.8	Confident	68.9	Low	5 Å²	5	96 Å²	96	3%	0.026	51%	0.506	C	S	.	.			trans	-106	118.5	171.2	-63.9	166.2	0	0	0	109.5	S83 D85 Q223 Y237 F254 H307	S83-I87 WeakPolarHBondContact CB-O 3.33Å; S83-I87 PolarHBondContact OG-O 3.14Å; D85-I87 PolarHBondContact OD1-N 3.26Å; I87-Q223 HydrophobicContact CG2-CG 4.05Å; I87-Y237 HydrophobicContact CD1-CD1 3.48Å; I87-Y237 VanDerWaalsContact CD1-CD1 3.48Å; I87-Y237 HydrophobicContact CD1-CD2 4.29Å; I87-Y237 HydrophobicContact CD1-CE1 3.92Å; I87-Y237 HydrophobicContact CD1-CG 3.66Å; I87-Y237 HydrophobicContact CG1-CD1 4.46Å; I87-Y237 HydrophobicContact CG2-CE1 4.15Å; I87-F254 HydrophobicContact CD1-CB 3.9Å; I87-F254 HydrophobicContact CD1-CD1 3.96Å; I87-F254 HydrophobicContact CD1-CG 3.97Å; I87-F254 HydrophobicContact CG1-CB 3.64Å; I87-F254 HydrophobicContact CG1-CD1 3.86Å; I87-F254 HydrophobicContact CG1-CD2 3.82Å; I87-F254 HydrophobicContact CG1-CE1 4.44Å; I87-F254 HydrophobicContact CG1-CE2 4.41Å; I87-F254 HydrophobicContact CG1-CG 3.5Å; I87-H307 WeakPolarHBondContact CD1-CD2 3.34Å
88	E	85.9	Confident	71.8	Confident	141 Å²	141	94.2 Å²	94.2	66%	0.659	50%	0.501	S	S	*	.			trans	-43.6	143.1	176.2	-54.1	170.8	132.3	0	0	112.6	Q223	E88-Q223 PolarHBondContact OE2-NE2 2.84Å
89	L	86.4	Confident	74.5	Confident	106 Å²	106	96 Å²	96	56%	0.555	50%	0.499	S	S	*	.			trans	-65.8	139.9	174.9	-67.8	179.5	0	0	0	110.5	M81 S83	M81-L89 HydrophobicContact CB-CD1 4.17Å; M81-L89 WeakPolarHBondContact O-CD1 3.07Å; S83-L89 WeakPolarHBondContact OG-CD2 3.28Å
90	P	88.6	Confident	77.5	Confident	41 Å²	41	88.7 Å²	88.7	27%	0.266	47%	0.465	S	S	.	.			trans	-66.6	136.6	175.8	29.5	-35	0	0	0	110.3	K92 V93 Q223 T227	P90-K92 PolarHBondContact O-N 2.76Å; P90-V93 HydrophobicContact CG-CG2 4.44Å; P90-Q223 HydrophobicContact CB-CB 4.09Å; P90-T227 HydrophobicContact CB-CG2 3.63Å; P90-T227 HydrophobicContact CG-CG2 3.67Å
91	Q	87.2	Confident	80.2	Confident	171 Å²	171	85.3 Å²	85.3	80%	0.799	45%	0.447	S	S	*	.	S	Bend	trans	-62.3	-27.6	177	-60.4	-174.3	-1.1	0	0	112.4	T224	Q91-T224 PolarHBondContact N-OG1 2.75Å; Q91-T224 VanDerWaalsContact N-OG1 3.13Å
92	K	88.4	Confident	83.1	Confident	131 Å²	131	79.8 Å²	79.8	57%	0.57	42%	0.42	S	S	*	.			trans	-145.9	142.5	174.8	-177.2	172.7	-179.2	176.3	0	110.9	P90 L94 T224 T227	P90-K92 PolarHBondContact O-N 2.76Å; K92-L94 HydrophobicContact CD-CD2 4.22Å; K92-L94 HydrophobicContact CG-CD2 4.39Å; K92-T224 HydrophobicContact CB-CG2 4.01Å; K92-T224 PolarHBondContact N-OG1 3.37Å; K92-T224 VanDerWaalsContact N-OG1 3.09Å; K92-T224 WeakPolarHBondContact O-CG2 3.44Å; K92-T224 PolarHBondContact O-OG1 3.3Å; K92-T227 PolarHBondContact O-OG1 2.7Å
93	V	90.6	Very high	85.9	Confident	76 Å²	76	80.4 Å²	80.4	46%	0.461	41%	0.411	S	S	.	.			trans	-90	120.3	165.8	178.6	0	0	0	0	108.9	P90 F95 T227	P90-V93 HydrophobicContact CG-CG2 4.44Å; V93-F95 WeakPolarHBondContact CG1-O 3.19Å; V93-T227 HydrophobicContact CG2-CG2 4.44Å
94	L	89.6	Confident	88	Confident	49 Å²	49	81.3 Å²	81.3	26%	0.257	41%	0.41	S	S	.	.	S	Bend	trans	-86.5	-34.2	179.5	-63.3	177.8	0	0	0	112.4	K92 L215 L220 T224 T227 T228	K92-L94 HydrophobicContact CD-CD2 4.22Å; K92-L94 HydrophobicContact CG-CD2 4.39Å; L94-L215 HydrophobicContact CD1-CD2 3.8Å; L94-L220 HydrophobicContact CD1-CD1 4.02Å; L94-T224 HydrophobicContact CD1-CG2 4.13Å; L94-T224 WeakPolarHBondContact CD1-O 3.35Å; L94-T224 HydrophobicContact CD2-CG2 4.31Å; L94-T224 HydrophobicContact CG-CG2 4.02Å; L94-T227 PolarHBondContact N-OG1 3.44Å; L94-T228 HydrophobicContact CB-CG2 4.48Å; L94-T228 HydrophobicContact CD1-CG2 3.67Å
95	F	91.2	Very high	89.4	Confident	17 Å²	17	77.3 Å²	77.3	8%	0.075	39%	0.394	C	S	.	.	S	Bend	trans	-135.1	118.4	169.7	-169.7	-85.3	0	0	0	110	V93 R99 L100 F139 T227 F229 Q232	V93-F95 WeakPolarHBondContact CG1-O 3.19Å; F95-R99 HydrophobicContact CE1-CB 3.77Å; F95-R99 HydrophobicContact CZ-CB 3.65Å; F95-L100 HydrophobicContact CE1-CB 4.44Å; F95-L100 HydrophobicContact CE1-CD1 4.36Å; F95-F139 HydrophobicContact CE2-CD2 4.24Å; F95-F139 AromaticContact CE2-CE2 3.87Å; F95-F139 HydrophobicContact CE2-CE2 3.87Å; F95-F139 HydrophobicContact CE2-CZ 4.39Å; F95-T227 WeakPolarHBondContact CB-O 3.39Å; F95-T227 PolarHBondContact N-O 2.75Å; F95-F229 HydrophobicContact CB-CB 4.14Å; F95-F229 HydrophobicContact CD1-CD2 4.09Å; F95-F229 HydrophobicContact CD2-CB 3.84Å; F95-F229 AromaticContact CD2-CD2 3.91Å; F95-F229 HydrophobicContact CD2-CD2 3.91Å; F95-F229 HydrophobicContact CD2-CG 4.32Å; F95-F229 AromaticContact CE1-CD2 3.85Å; F95-F229 HydrophobicContact CE1-CD2 3.85Å; F95-F229 HydrophobicContact CE1-CE2 4.45Å; F95-F229 HydrophobicContact CE2-CB 4.4Å; F95-F229 AromaticContact CE2-CD2 3.66Å; F95-F229 HydrophobicContact CE2-CD2 3.66Å; F95-F229 HydrophobicContact CE2-CE2 4.44Å; F95-F229 HydrophobicContact CE2-CG 4.4Å; F95-F229 HydrophobicContact CG-CB 3.92Å; F95-F229 HydrophobicContact CG-CD2 4.12Å; F95-F229 AromaticContact CZ-CD2 3.62Å; F95-F229 HydrophobicContact CZ-CD2 3.62Å; F95-F229 HydrophobicContact CZ-CE2 4.12Å; F95-Q232 HydrophobicContact CB-CG 4.3Å; F95-Q232 HydrophobicContact CD1-CB 4.35Å; F95-Q232 HydrophobicContact CD1-CG 4.1Å; F95-Q232 PolarHBondContact O-NE2 3.21Å
96	P	91.1	Very high	90	Very high	48 Å²	48	80.1 Å²	80.1	31%	0.312	41%	0.405	S	S	.	.			trans	-65.2	127.4	176.8	-19.6	31.3	0	0	0	111.5	E98 R99	P96-E98 WeakPolarHBondContact CB-OE2 3.16Å; P96-E98 PolarHBondContact O-N 2.97Å; P96-R99 PolarHBondContact O-N 3.41Å
97	P	88.4	Confident	90.6	Very high	57 Å²	57	83 Å²	83	37%	0.37	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-64.2	-21.3	-177.6	26.1	-32.9	0	0	0	113.2	R99 L100	P97-R99 PolarHBondContact O-N 2.81Å; P97-L100 WeakPolarHBondContact O-CB 3.34Å; P97-L100 PolarHBondContact O-N 3.38Å; P97-L100 VanDerWaalsContact O-N 3.11Å
98	E	89.8	Confident	90.9	Very high	157 Å²	157	84.4 Å²	84.4	73%	0.734	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-64.4	-23.5	177.9	-54.5	71.1	-152.8	0	0	112.3	P96 L100	P96-E98 WeakPolarHBondContact CB-OE2 3.16Å; P96-E98 PolarHBondContact O-N 2.97Å; E98-L100 VanDerWaalsContact C-N 3.25Å; E98-L100 PolarHBondContact O-N 2.83Å
99	R	90.6	Very high	91.4	Very high	154 Å²	154	87.7 Å²	87.7	58%	0.581	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-81	0.3	176.5	-68.9	175.2	66.7	159.2	-2.3	113.4	F95 P96 P97 S101 E144	F95-R99 HydrophobicContact CE1-CB 3.77Å; F95-R99 HydrophobicContact CZ-CB 3.65Å; P96-R99 PolarHBondContact O-N 3.41Å; P97-R99 PolarHBondContact O-N 2.81Å; R99-S101 PolarHBondContact O-N 3.14Å; R99-E144 IonicContact CZ-OE2 3.35Å; R99-E144 IonicContact NH2-OE2 3.6Å; R99-E144 PolarHBondContact NH2-OE2 3.36Å
100	L	92.7	Very high	91.9	Very high	21 Å²	21	84.4 Å²	84.4	11%	0.11	41%	0.409	C	S	.	.			trans	-95.8	95.5	-170.2	-165.7	72.7	0	0	0	113.3	F95 P97 E98 L102 P135 F229 Q232 V233 N311	F95-L100 HydrophobicContact CE1-CB 4.44Å; F95-L100 HydrophobicContact CE1-CD1 4.36Å; P97-L100 WeakPolarHBondContact O-CB 3.34Å; P97-L100 PolarHBondContact O-N 3.38Å; P97-L100 VanDerWaalsContact O-N 3.11Å; E98-L100 VanDerWaalsContact C-N 3.25Å; E98-L100 PolarHBondContact O-N 2.83Å; L100-L102 HydrophobicContact CD2-CD2 3.69Å; L100-L102 HydrophobicContact CG-CD2 3.96Å; L100-L102 PolarHBondContact O-N 2.94Å; L100-P135 HydrophobicContact CD1-CB 3.77Å; L100-P135 HydrophobicContact CG-CB 4.12Å; L100-F229 HydrophobicContact CD1-CD2 4.23Å; L100-F229 HydrophobicContact CD1-CE2 3.68Å; L100-Q232 HydrophobicContact CD2-CB 4.23Å; L100-Q232 WeakPolarHBondContact CD2-O 3.25Å; L100-V233 HydrophobicContact CD1-CG2 3.88Å; L100-N311 HydrophobicContact CD2-CB 4.37Å
101	S	93.3	Very high	92.2	Very high	44 Å²	44	82.5 Å²	82.5	31%	0.308	40%	0.396	S	S	.	.			trans	-75.3	105.5	171.9	-174.4	0	0	0	0	112.1	R99 K103 P135 N138	R99-S101 PolarHBondContact O-N 3.14Å; S101-K103 VanDerWaalsContact C-N 3.27Å; S101-K103 PolarHBondContact O-N 3.13Å; S101-K103 PolarHBondContact OG-O 2.91Å; S101-P135 VanDerWaalsContact O-CA 3.31Å; S101-P135 WeakPolarHBondContact O-CA 3.32Å; S101-P135 WeakPolarHBondContact O-CB 3.43Å; S101-N138 PolarHBondContact O-ND2 2.77Å
102	L	94.5	Very high	92.7	Very high	30 Å²	30	74.3 Å²	74.3	16%	0.157	36%	0.358	C	S	.	.			trans	-73.7	-14.7	174.6	-55.7	-175.1	0	0	0	114	L100 P135 N311 I410 K411 C413	L100-L102 HydrophobicContact CD2-CD2 3.69Å; L100-L102 HydrophobicContact CG-CD2 3.96Å; L100-L102 PolarHBondContact O-N 2.94Å; L102-P135 HydrophobicContact CD2-CB 4.4Å; L102-P135 HydrophobicContact CD2-CG 4.27Å; L102-N311 HydrophobicContact CD1-CB 4.32Å; L102-N311 HydrophobicContact CD2-CB 3.76Å; L102-I410 HydrophobicContact CB-CD1 4.37Å; L102-I410 VanDerWaalsContact O-CD1 3.27Å; L102-I410 WeakPolarHBondContact O-CD1 3.25Å; L102-K411 HydrophobicContact CD1-CB 4.24Å; L102-C413 HydrophobicContact CB-CB 4.42Å
103	K	94.1	Very high	93.2	Very high	105 Å²	105	68.1 Å²	68.1	46%	0.457	33%	0.332	S	S	.	.	S	Bend	trans	-99.7	152.3	172.6	-76	166.9	174.4	150	0	109.6	S101 I105 N138 C413	S101-K103 VanDerWaalsContact C-N 3.27Å; S101-K103 PolarHBondContact O-N 3.13Å; S101-K103 PolarHBondContact OG-O 2.91Å; K103-I105 PolarHBondContact O-N 3.29Å; K103-N138 PolarHBondContact O-ND2 2.82Å; K103-C413 HydrophobicContact CD-CB 3.81Å; K103-C413 HydrophobicContact CG-CB 3.98Å; K103-C413 PolarHBondContact NZ-O 3.02Å; K103-C413 VanDerWaalsContact NZ-O 3.12Å; K103-C413 PolarHBondContact NZ-SG 3.37Å; K103-C413 VanDerWaalsContact NZ-SG 3.43Å
104	W	94.8	Very high	93.6	Very high	48 Å²	48	64.5 Å²	64.5	18%	0.182	31%	0.31	C	S	.	.			trans	-56.3	127.4	166.2	-69.2	100.5	0	0	0	109.7	Q106 Y132 P134 A137 F168 S379	W104-Q106 VanDerWaalsContact C-N 3.33Å; W104-Y132 HydrophobicContact CH2-CD1 4.22Å; W104-Y132 HydrophobicContact CZ2-CD1 4.06Å; W104-P134 HydrophobicContact CD2-CB 4.15Å; W104-P134 HydrophobicContact CG-CB 4.21Å; W104-P134 HydrophobicContact CZ2-CG 4.34Å; W104-A137 HydrophobicContact CE3-CB 4.41Å; W104-A137 HydrophobicContact CH2-CB 3.53Å; W104-A137 HydrophobicContact CZ3-CB 3.42Å; W104-A137 VanDerWaalsContact CZ3-CB 3.42Å; W104-F168 HydrophobicContact CH2-CE2 4.39Å; W104-F168 AromaticContact CH2-CZ 3.84Å; W104-F168 HydrophobicContact CH2-CZ 3.84Å; W104-F168 HydrophobicContact CZ3-CE2 4.45Å; W104-F168 HydrophobicContact CZ3-CZ 4.1Å; W104-S379 VanDerWaalsContact CD2-CB 3.46Å; W104-S379 VanDerWaalsContact CG-CB 3.5Å
105	I	93.3	Very high	93.9	Very high	122 Å²	122	66 Å²	66	63%	0.626	32%	0.316	S	S	*	.	S	Bend	trans	-73.1	-31.2	178.9	-66.8	169.5	0	0	0	111	K103 N138	K103-I105 PolarHBondContact O-N 3.29Å; I105-N138 HydrophobicContact CD1-CB 3.86Å; I105-N138 HydrophobicContact CG1-CB 4.41Å; I105-N138 PolarHBondContact N-OD1 3.43Å; I105-N138 VanDerWaalsContact N-OD1 3.09Å
106	Q	91.9	Very high	94.2	Very high	111 Å²	111	67.8 Å²	67.8	52%	0.519	33%	0.326	S	S	.	.	S	Bend	trans	-142.8	155.2	179.3	68	-163.5	-21.6	0	0	110.3	W104 H108	W104-Q106 VanDerWaalsContact C-N 3.33Å; Q106-H108 WeakPolarHBondContact CG-NE2 3.42Å; Q106-H108 PolarHBondContact NE2-CE1 2.89Å; Q106-H108 PolarHBondContact NE2-NE2 3.33Å
107	V	93.9	Very high	94.3	Very high	110 Å²	110	68 Å²	68	67%	0.667	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-84.1	116.1	175.3	-177.8	0	0	0	0	109.5	N380	V107-N380 HydrophobicContact CG1-CB 4.07Å
108	H	93.6	Very high	94.4	Very high	33 Å²	33	66.9 Å²	66.9	15%	0.153	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-92.4	148.7	172.6	-69.8	-84.7	0	0	0	111.6	Q106 L141 F168 S379	Q106-H108 WeakPolarHBondContact CG-NE2 3.42Å; Q106-H108 PolarHBondContact NE2-CE1 2.89Å; Q106-H108 PolarHBondContact NE2-NE2 3.33Å; H108-L141 WeakPolarHBondContact NE2-CD1 3.33Å; H108-F168 HydrophobicContact CB-CD1 3.77Å; H108-F168 HydrophobicContact CB-CE1 3.83Å; H108-S379 PolarHBondContact N-OG 3.01Å; H108-S379 PolarHBondContact O-OG 3.31Å; H108-S379 VanDerWaalsContact O-OG 3.04Å
109	R	95	Very high	94.6	Very high	210 Å²	210	62.4 Å²	62.4	79%	0.792	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-61.2	159.8	161	-68.5	-174.5	179	-160.3	-0.4	110.2	G111	R109-G111 PolarHBondContact O-N 2.86Å
110	I	96.4	Very high	94.8	Very high	37 Å²	37	55.2 Å²	55.2	19%	0.19	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-65.9	121.7	174.8	-160.4	68.1	0	0	0	109.6	Y132 S171 G172 I376 A378 Y384 M386 V391	I110-Y132 HydrophobicContact CD1-CE1 4.04Å; I110-Y132 WeakPolarHBondContact CD1-OH 3.47Å; I110-S171 VanDerWaalsContact O-CA 3.23Å; I110-S171 WeakPolarHBondContact O-CA 3.34Å; I110-S171 WeakPolarHBondContact O-CB 3.35Å; I110-S171 PolarHBondContact O-OG 3.29Å; I110-G172 PolarHBondContact O-N 3.11Å; I110-I376 HydrophobicContact CD1-CD1 4Å; I110-A378 HydrophobicContact CD1-CB 3.67Å; I110-Y384 HydrophobicContact CB-CE1 4.08Å; I110-Y384 HydrophobicContact CD1-CD1 3.87Å; I110-Y384 HydrophobicContact CD1-CD2 3.42Å; I110-Y384 VanDerWaalsContact CD1-CD2 3.42Å; I110-Y384 HydrophobicContact CD1-CE1 4.06Å; I110-Y384 HydrophobicContact CD1-CE2 3.64Å; I110-Y384 HydrophobicContact CD1-CG 3.54Å; I110-Y384 HydrophobicContact CG1-CD1 3.76Å; I110-Y384 HydrophobicContact CG1-CD2 4.24Å; I110-Y384 HydrophobicContact CG1-CE1 3.83Å; I110-Y384 HydrophobicContact CG1-CE2 4.31Å; I110-Y384 HydrophobicContact CG1-CG 3.96Å; I110-Y384 HydrophobicContact CG2-CE1 4.27Å; I110-M386 HydrophobicContact CD1-CE 3.52Å; I110-M386 HydrophobicContact CG1-CE 3.73Å; I110-V391 HydrophobicContact CG1-CG1 3.76Å
111	G	96.1	Very high	95	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.01	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-70.4	173	-177.6	0	0	0	0	0	113.5	R109 Y132 V167	R109-G111 PolarHBondContact O-N 2.86Å; G111-Y132 WeakPolarHBondContact CA-OH 3.41Å; G111-Y132 PolarHBondContact N-OH 2.74Å; G111-V167 CarbonylContact C-O 2.89Å; G111-V167 VanDerWaalsContact CA-O 3.24Å; G111-V167 WeakPolarHBondContact CA-O 3.43Å
112	A	97.8	Very high	95.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-57.1	149.7	-176.1	0	0	0	0	0	114.8	Q128 V167 N170 N173 I175	A112-Q128 PolarHBondContact O-NE2 2.96Å; A112-V167 PolarHBondContact N-O 3.44Å; A112-N170 HydrophobicContact CB-CB 4.03Å; A112-N170 WeakPolarHBondContact CB-O 3.41Å; A112-N173 CarbonylContact C-O 3.46Å; A112-N173 WeakPolarHBondContact CA-O 3.11Å; A112-N173 WeakPolarHBondContact CB-O 3.3Å; A112-I175 HydrophobicContact CB-CB 4.44Å; A112-I175 HydrophobicContact CB-CD1 4.43Å; A112-I175 HydrophobicContact CB-CG1 4Å; A112-I175 HydrophobicContact CB-CG2 3.88Å
113	G	98.2	Very high	95.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	157.1	159	0	0	0	0	0	111.3	N173 V174 I175 D388	G113-N173 PolarHBondContact N-O 3.19Å; G113-V174 CarbonylContact O-C 3.59Å; G113-V174 WeakPolarHBondContact O-CA 3.41Å; G113-I175 PolarHBondContact O-N 3.42Å; G113-D388 CarbonylContact C-O 3.58Å; G113-D388 WeakPolarHBondContact CA-O 3.45Å
114	L	98.4	Very high	95.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.4	179.2	-58.7	-173.5	0	0	0	110.3	N116 N124 L127 Q128 V167 I175 D388 S389	L114-N116 PolarHBondContact O-N 3.35Å; L114-N124 HydrophobicContact CB-CB 3.97Å; L114-N124 HydrophobicContact CD1-CB 4.17Å; L114-N124 PolarHBondContact O-ND2 2.68Å; L114-L127 HydrophobicContact CD1-CB 3.96Å; L114-L127 HydrophobicContact CD1-CD1 4.37Å; L114-Q128 HydrophobicContact CD1-CG 3.98Å; L114-Q128 HydrophobicContact CG-CG 4.28Å; L114-V167 HydrophobicContact CD2-CG2 4.11Å; L114-I175 CarbonylContact C-O 3.02Å; L114-I175 WeakPolarHBondContact CA-O 3.48Å; L114-I175 HydrophobicContact CD2-CD1 3.91Å; L114-I175 HydrophobicContact CD2-CG1 3.5Å; L114-D388 PolarHBondContact N-O 2.82Å; L114-D388 CarbonylContact O-C 3.6Å; L114-D388 WeakPolarHBondContact O-CA 3.25Å; L114-D388 WeakPolarHBondContact O-CB 3.17Å; L114-S389 PolarHBondContact O-N 3.36Å; L114-S389 VanDerWaalsContact O-N 3.17Å
115	Q	97.6	Very high	95.5	Very high	81 Å²	81	44.3 Å²	44.3	38%	0.379	22%	0.224	S	C	.	.			trans	-60.5	133.2	-179.9	-173.1	167.2	14.5	0	0	111.1	M117 N124 V174 I175 K176	Q115-M117 PolarHBondContact O-N 3.46Å; Q115-N124 PolarHBondContact O-ND2 3.28Å; Q115-V174 HydrophobicContact CB-CG1 3.82Å; Q115-I175 PolarHBondContact N-O 2.71Å; Q115-K176 HydrophobicContact CB-CG 4.12Å
116	N	96.4	Very high	95.8	Very high	53 Å²	53	38.5 Å²	38.5	28%	0.283	19%	0.194	S	C	.	.			trans	-70.9	120.6	169.3	-160.6	-43.1	0	0	0	109.2	L114 G118 N119 T120 D388	L114-N116 PolarHBondContact O-N 3.35Å; N116-G118 VanDerWaalsContact C-N 3.31Å; N116-G118 WeakPolarHBondContact OD1-CA 3.32Å; N116-G118 PolarHBondContact OD1-N 2.79Å; N116-N119 PolarHBondContact OD1-N 2.88Å; N116-N119 VanDerWaalsContact OD1-N 3.12Å; N116-T120 PolarHBondContact OD1-N 2.73Å; N116-T120 VanDerWaalsContact OD1-N 3.1Å; N116-T120 PolarHBondContact OD1-OG1 2.86Å; N116-D388 HydrophobicContact CB-CB 4.21Å; N116-D388 WeakPolarHBondContact CB-OD2 3.39Å; N116-D388 PolarHBondContact ND2-OD2 2.69Å
117	M	94.3	Very high	96.1	Very high	52 Å²	52	33.2 Å²	33.2	26%	0.256	17%	0.17	S	C	.	.	S	Bend	trans	-95.5	15.2	-179.5	-65.5	-66.7	-60.3	0	0	112.1	Q115 T120 K176 L181 Y193	Q115-M117 PolarHBondContact O-N 3.46Å; M117-T120 HydrophobicContact CB-CG2 3.86Å; M117-T120 PolarHBondContact N-OG1 3.26Å; M117-K176 HydrophobicContact CE-CD 4.36Å; M117-K176 HydrophobicContact SD-CB 4.3Å; M117-K176 HydrophobicContact SD-CD 3.78Å; M117-K176 HydrophobicContact SD-CG 3.8Å; M117-L181 HydrophobicContact CB-CD2 4.2Å; M117-L181 HydrophobicContact CG-CD2 4.14Å; M117-Y193 HydrophobicContact CB-CE2 4.06Å; M117-Y193 PolarHBondContact O-OH 2.78Å
118	G	90.7	Very high	96.3	Very high	35 Å²	35	28.1 Å²	28.1	36%	0.361	14%	0.139	S	C	.	.	S	Bend	trans	104	102.4	-173.8	0	0	0	0	0	110.5	N116 T120 G194	N116-G118 VanDerWaalsContact C-N 3.31Å; N116-G118 WeakPolarHBondContact OD1-CA 3.32Å; N116-G118 PolarHBondContact OD1-N 2.79Å; G118-T120 WeakPolarHBondContact O-CG2 3.45Å; G118-T120 PolarHBondContact O-N 2.72Å; G118-T120 VanDerWaalsContact O-N 3.1Å; G118-G194 WeakPolarHBondContact O-CA 3.02Å
119	N	93.3	Very high	96.5	Very high	62 Å²	62	26.6 Å²	26.6	33%	0.332	13%	0.131	S	C	.	.	S	Bend	trans	56.6	15.3	-176	-68.8	-44.4	0	0	0	115.6	N116 C121 F122 G194 S195 Q196	N116-N119 PolarHBondContact OD1-N 2.88Å; N116-N119 VanDerWaalsContact OD1-N 3.12Å; N119-C121 VanDerWaalsContact C-N 3.27Å; N119-C121 PolarHBondContact O-N 3.29Å; N119-F122 WeakPolarHBondContact O-CD1 3.35Å; N119-F122 WeakPolarHBondContact O-CE1 3.17Å; N119-G194 PolarHBondContact ND2-O 3.01Å; N119-S195 WeakPolarHBondContact CB-O 3.03Å; N119-Q196 HydrophobicContact CB-CG 3.88Å; N119-Q196 VanDerWaalsContact CG-CG 3.48Å; N119-Q196 VanDerWaalsContact OD1-CG 3.3Å; N119-Q196 WeakPolarHBondContact OD1-CG 3.38Å; N119-Q196 PolarHBondContact OD1-NE2 3.11Å
120	T	95.6	Very high	96.7	Very high	4 Å²	4	16.6 Å²	16.6	3%	0.025	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	10.2	-175.6	66.1	0	0	0	0	114.8	N116 M117 G118 F122 L123 N124 L181 Y193	N116-T120 PolarHBondContact OD1-N 2.73Å; N116-T120 VanDerWaalsContact OD1-N 3.1Å; N116-T120 PolarHBondContact OD1-OG1 2.86Å; M117-T120 HydrophobicContact CB-CG2 3.86Å; M117-T120 PolarHBondContact N-OG1 3.26Å; G118-T120 WeakPolarHBondContact O-CG2 3.45Å; G118-T120 PolarHBondContact O-N 2.72Å; G118-T120 VanDerWaalsContact O-N 3.1Å; T120-F122 VanDerWaalsContact C-N 3.29Å; T120-F122 PolarHBondContact O-N 2.99Å; T120-L123 WeakPolarHBondContact O-CB 3.08Å; T120-L123 PolarHBondContact O-N 3.06Å; T120-L123 VanDerWaalsContact O-N 3.07Å; T120-N124 PolarHBondContact O-N 2.99Å; T120-N124 PolarHBondContact OG1-ND2 2.68Å; T120-L181 HydrophobicContact CG2-CD1 3.99Å; T120-Y193 HydrophobicContact CG2-CE2 4.34Å
121	C	96.2	Very high	96.8	Very high	5 Å²	5	14.8 Å²	14.8	3%	0.034	9%	0.085	C	C	.	.	H	α-helix	trans	-64.5	-29.9	-176.5	53.9	0	0	0	0	113.5	N119 L123 N124 S125 H371 Y372 D388	N119-C121 VanDerWaalsContact C-N 3.27Å; N119-C121 PolarHBondContact O-N 3.29Å; C121-L123 VanDerWaalsContact C-N 3.29Å; C121-L123 PolarHBondContact O-N 2.97Å; C121-N124 PolarHBondContact O-N 3.31Å; C121-S125 WeakPolarHBondContact O-CB 3.34Å; C121-S125 PolarHBondContact O-N 3.05Å; C121-S125 PolarHBondContact O-OG 2.77Å; C121-H371 VanDerWaalsContact CB-CE1 3.41Å; C121-H371 WeakPolarHBondContact CB-CE1 3.15Å; C121-H371 WeakPolarHBondContact CB-ND1 3.45Å; C121-H371 PolarHBondContact SG-ND1 2.89Å; C121-Y372 WeakPolarHBondContact CB-O 3.49Å; C121-D388 WeakPolarHBondContact CA-OD1 3.35Å
122	F	95.4	Very high	96.9	Very high	6 Å²	6	14.8 Å²	14.8	3%	0.026	8%	0.084	C	C	.	.	H	α-helix	trans	-60.1	-39.9	172	74.4	-91.5	0	0	0	111.7	N119 T120 S125 A126 E197 A199 F202 Y372	N119-F122 WeakPolarHBondContact O-CD1 3.35Å; N119-F122 WeakPolarHBondContact O-CE1 3.17Å; T120-F122 VanDerWaalsContact C-N 3.29Å; T120-F122 PolarHBondContact O-N 2.99Å; F122-S125 PolarHBondContact O-OG 3.32Å; F122-A126 WeakPolarHBondContact O-CB 3.26Å; F122-A126 PolarHBondContact O-N 2.64Å; F122-E197 HydrophobicContact CD1-CB 3.96Å; F122-E197 HydrophobicContact CD1-CG 4.43Å; F122-E197 HydrophobicContact CD2-CB 3.96Å; F122-E197 HydrophobicContact CE1-CB 3.77Å; F122-E197 HydrophobicContact CE1-CG 3.77Å; F122-E197 HydrophobicContact CE2-CB 3.78Å; F122-E197 HydrophobicContact CE2-CG 4.19Å; F122-E197 HydrophobicContact CG-CB 4.07Å; F122-E197 HydrophobicContact CZ-CB 3.68Å; F122-E197 HydrophobicContact CZ-CG 3.64Å; F122-A199 HydrophobicContact CB-CB 3.92Å; F122-F202 HydrophobicContact CD2-CB 3.7Å; F122-F202 HydrophobicContact CD2-CD1 4.46Å; F122-F202 AromaticContact CD2-CG 3.99Å; F122-F202 HydrophobicContact CD2-CG 3.99Å; F122-F202 HydrophobicContact CE2-CB 3.82Å; F122-F202 AromaticContact CE2-CD2 3.99Å; F122-F202 HydrophobicContact CE2-CD2 3.99Å; F122-F202 AromaticContact CE2-CG 3.85Å; F122-F202 HydrophobicContact CE2-CG 3.85Å; F122-Y372 HydrophobicContact CB-CD2 3.54Å; F122-Y372 HydrophobicContact CB-CE2 3.64Å; F122-Y372 HydrophobicContact CB-CG 4.24Å
123	L	96.4	Very high	96.9	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-74.8	-45.5	176.9	169.2	154.6	0	0	0	110.6	T120 C121 S125 A126 L127 P177 V180 L181 L184 F202	T120-L123 WeakPolarHBondContact O-CB 3.08Å; T120-L123 PolarHBondContact O-N 3.06Å; T120-L123 VanDerWaalsContact O-N 3.07Å; C121-L123 VanDerWaalsContact C-N 3.29Å; C121-L123 PolarHBondContact O-N 2.97Å; L123-S125 PolarHBondContact O-N 3.16Å; L123-A126 PolarHBondContact O-N 2.74Å; L123-L127 HydrophobicContact CD2-CD1 3.53Å; L123-L127 HydrophobicContact CD2-CG 4.34Å; L123-L127 HydrophobicContact CG-CD1 4.01Å; L123-L127 HydrophobicContact CG-CG 4.4Å; L123-L127 WeakPolarHBondContact O-CB 3.2Å; L123-L127 VanDerWaalsContact O-CG 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.39Å; L123-L127 PolarHBondContact O-N 2.83Å; L123-P177 HydrophobicContact CD2-CB 4.26Å; L123-P177 HydrophobicContact CD2-CG 3.72Å; L123-V180 HydrophobicContact CD1-CG1 4.08Å; L123-L181 HydrophobicContact CD1-CD1 4.33Å; L123-L184 HydrophobicContact CD1-CD1 4.36Å; L123-F202 HydrophobicContact CB-CD1 4.23Å; L123-F202 HydrophobicContact CB-CE1 3.98Å; L123-F202 HydrophobicContact CB-CE2 4.49Å; L123-F202 HydrophobicContact CB-CZ 4.13Å; L123-F202 HydrophobicContact CD1-CE1 4.39Å; L123-F202 HydrophobicContact CD1-CE2 3.82Å; L123-F202 HydrophobicContact CD1-CZ 3.7Å; L123-F202 HydrophobicContact CG-CE1 3.83Å; L123-F202 HydrophobicContact CG-CE2 4.18Å; L123-F202 HydrophobicContact CG-CZ 3.62Å
124	N	97.8	Very high	96.8	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.016	9%	0.086	C	C	.	.	H	α-helix	trans	-61.4	-47	-178.1	-70.8	-15.5	0	0	0	111.8	L114 Q115 T120 C121 L127 Q128 D388	L114-N124 HydrophobicContact CB-CB 3.97Å; L114-N124 HydrophobicContact CD1-CB 4.17Å; L114-N124 PolarHBondContact O-ND2 2.68Å; Q115-N124 PolarHBondContact O-ND2 3.28Å; T120-N124 PolarHBondContact O-N 2.99Å; T120-N124 PolarHBondContact OG1-ND2 2.68Å; C121-N124 PolarHBondContact O-N 3.31Å; N124-L127 PolarHBondContact O-N 3.46Å; N124-Q128 WeakPolarHBondContact O-CG 3.48Å; N124-Q128 PolarHBondContact O-N 2.71Å; N124-D388 WeakPolarHBondContact CB-OD1 3.45Å; N124-D388 PolarHBondContact ND2-OD1 2.91Å
125	S	98.1	Very high	96.8	Very high	3 Å²	3	15.2 Å²	15.2	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-65.7	-41.7	178.6	57.4	0	0	0	0	112.9	C121 F122 L123 Q128 C129 Y372	C121-S125 WeakPolarHBondContact O-CB 3.34Å; C121-S125 PolarHBondContact O-N 3.05Å; C121-S125 PolarHBondContact O-OG 2.77Å; F122-S125 PolarHBondContact O-OG 3.32Å; L123-S125 PolarHBondContact O-N 3.16Å; S125-Q128 PolarHBondContact O-N 2.63Å; S125-C129 PolarHBondContact O-N 2.7Å; S125-C129 VanDerWaalsContact O-N 3.11Å; S125-C129 PolarHBondContact O-SG 3.36Å; S125-C129 VanDerWaalsContact O-SG 3.4Å; S125-Y372 WeakPolarHBondContact OG-CB 3.4Å
126	A	98.2	Very high	96.8	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.7	-42.2	174.8	0	0	0	0	0	112.5	F122 L123 C129 L130 F202 L203 L360	F122-A126 WeakPolarHBondContact O-CB 3.26Å; F122-A126 PolarHBondContact O-N 2.64Å; L123-A126 PolarHBondContact O-N 2.74Å; A126-C129 PolarHBondContact O-N 3.02Å; A126-L130 WeakPolarHBondContact O-CG 3.43Å; A126-L130 PolarHBondContact O-N 2.77Å; A126-F202 HydrophobicContact CB-CD1 3.74Å; A126-F202 HydrophobicContact CB-CE1 4.08Å; A126-L203 HydrophobicContact CB-CB 4.34Å; A126-L360 HydrophobicContact CB-CD1 4.19Å
127	L	98.4	Very high	96.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-64	-38.6	176.4	-76.2	-177.9	0	0	0	112.6	L114 L123 N124 L130 T131 M160 P177 V180 F202	L114-L127 HydrophobicContact CD1-CB 3.96Å; L114-L127 HydrophobicContact CD1-CD1 4.37Å; L123-L127 HydrophobicContact CD2-CD1 3.53Å; L123-L127 HydrophobicContact CD2-CG 4.34Å; L123-L127 HydrophobicContact CG-CD1 4.01Å; L123-L127 HydrophobicContact CG-CG 4.4Å; L123-L127 WeakPolarHBondContact O-CB 3.2Å; L123-L127 VanDerWaalsContact O-CG 3.28Å; L123-L127 WeakPolarHBondContact O-CG 3.39Å; L123-L127 PolarHBondContact O-N 2.83Å; N124-L127 PolarHBondContact O-N 3.46Å; L127-L130 PolarHBondContact O-N 3.26Å; L127-T131 VanDerWaalsContact O-CB 3.27Å; L127-T131 WeakPolarHBondContact O-CB 3.33Å; L127-T131 PolarHBondContact O-N 2.82Å; L127-T131 PolarHBondContact O-OG1 3.42Å; L127-M160 HydrophobicContact CD2-CE 3.9Å; L127-M160 HydrophobicContact CD2-SD 3.51Å; L127-M160 VanDerWaalsContact CD2-SD 3.51Å; L127-P177 HydrophobicContact CD1-CB 3.85Å; L127-P177 HydrophobicContact CD1-CG 4.48Å; L127-V180 HydrophobicContact CD1-CB 4.19Å; L127-V180 HydrophobicContact CD1-CG1 4.16Å; L127-V180 HydrophobicContact CD1-CG2 4Å; L127-V180 HydrophobicContact CD2-CG1 4.3Å; L127-V180 HydrophobicContact CD2-CG2 4.13Å; L127-F202 HydrophobicContact CD2-CE1 4.5Å; L127-F202 HydrophobicContact CG-CE1 4.32Å
128	Q	98.4	Very high	96.9	Very high	4 Å²	4	7.1 Å²	7.1	2%	0.019	5%	0.047	C	C	.	.	H	α-helix	trans	-65.9	-45.4	175	-69.9	-74	26.5	0	0	111.3	A112 L114 N124 S125 L130 T131 Y132 M386	A112-Q128 PolarHBondContact O-NE2 2.96Å; L114-Q128 HydrophobicContact CD1-CG 3.98Å; L114-Q128 HydrophobicContact CG-CG 4.28Å; N124-Q128 WeakPolarHBondContact O-CG 3.48Å; N124-Q128 PolarHBondContact O-N 2.71Å; S125-Q128 PolarHBondContact O-N 2.63Å; Q128-L130 VanDerWaalsContact C-N 3.31Å; Q128-L130 PolarHBondContact O-N 2.93Å; Q128-T131 PolarHBondContact O-N 3.38Å; Q128-T131 VanDerWaalsContact O-N 3.12Å; Q128-Y132 WeakPolarHBondContact O-CD2 3.24Å; Q128-Y132 PolarHBondContact O-N 2.89Å; Q128-M386 HydrophobicContact CB-CB 4.22Å; Q128-M386 HydrophobicContact CB-CG 4.33Å; Q128-M386 HydrophobicContact CG-CB 4.07Å; Q128-M386 HydrophobicContact CG-CG 4.31Å
129	C	98.6	Very high	97.2	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-57.1	-41.7	174.6	-69.8	0	0	0	0	112.8	S125 A126 T133 A358 C374 F408	S125-C129 PolarHBondContact O-N 2.7Å; S125-C129 VanDerWaalsContact O-N 3.11Å; S125-C129 PolarHBondContact O-SG 3.36Å; S125-C129 VanDerWaalsContact O-SG 3.4Å; A126-C129 PolarHBondContact O-N 3.02Å; C129-T133 PolarHBondContact O-N 3.12Å; C129-T133 PolarHBondContact O-OG1 2.86Å; C129-A358 HydrophobicContact CB-CB 4.26Å; C129-C374 VanDerWaalsContact SG-CB 3.59Å; C129-F408 HydrophobicContact CB-CD2 4.01Å; C129-F408 HydrophobicContact CB-CE1 4.24Å; C129-F408 HydrophobicContact CB-CE2 3.5Å; C129-F408 HydrophobicContact CB-CZ 3.61Å
130	L	98.4	Very high	97.3	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-66.4	-43.5	173.5	-70.2	174.7	0	0	0	112.1	A126 L127 Q128 Y132 T133 L136 M160 L203 T206 V207 M210 F234	A126-L130 WeakPolarHBondContact O-CG 3.43Å; A126-L130 PolarHBondContact O-N 2.77Å; L127-L130 PolarHBondContact O-N 3.26Å; Q128-L130 VanDerWaalsContact C-N 3.31Å; Q128-L130 PolarHBondContact O-N 2.93Å; L130-Y132 VanDerWaalsContact C-N 3.29Å; L130-Y132 PolarHBondContact O-N 3.43Å; L130-T133 VanDerWaalsContact O-CB 3.24Å; L130-T133 WeakPolarHBondContact O-CB 3.38Å; L130-T133 PolarHBondContact O-N 3.44Å; L130-T133 PolarHBondContact O-OG1 3.47Å; L130-L136 HydrophobicContact CB-CD2 4.09Å; L130-L136 HydrophobicContact CD2-CD2 4.04Å; L130-M160 HydrophobicContact CB-CE 3.84Å; L130-M160 HydrophobicContact CD1-CE 3.86Å; L130-L203 HydrophobicContact CD1-CD1 4Å; L130-L203 HydrophobicContact CD2-CD1 3.85Å; L130-L203 HydrophobicContact CG-CD1 3.85Å; L130-T206 HydrophobicContact CD1-CG2 3.53Å; L130-V207 HydrophobicContact CD2-CG2 4.07Å; L130-M210 HydrophobicContact CD1-CE 4.32Å; L130-M210 HydrophobicContact CD2-CE 4.35Å; L130-F234 HydrophobicContact CD2-CE1 4.47Å; L130-F234 HydrophobicContact CD2-CE2 4.43Å; L130-F234 HydrophobicContact CD2-CZ 3.77Å
131	T	98.3	Very high	97.3	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-63.5	-31.8	-178.5	-62	0	0	0	0	113.1	L127 Q128 A137 I164 V167 F168	L127-T131 VanDerWaalsContact O-CB 3.27Å; L127-T131 WeakPolarHBondContact O-CB 3.33Å; L127-T131 PolarHBondContact O-N 2.82Å; L127-T131 PolarHBondContact O-OG1 3.42Å; Q128-T131 PolarHBondContact O-N 3.38Å; Q128-T131 VanDerWaalsContact O-N 3.12Å; T131-A137 WeakPolarHBondContact O-CB 3.45Å; T131-I164 HydrophobicContact CG2-CB 4.47Å; T131-I164 HydrophobicContact CG2-CG1 3.98Å; T131-I164 HydrophobicContact CG2-CG2 4.38Å; T131-V167 HydrophobicContact CG2-CB 4.04Å; T131-V167 HydrophobicContact CG2-CG1 3.79Å; T131-V167 HydrophobicContact CG2-CG2 4.36Å; T131-F168 HydrophobicContact CG2-CD2 4.48Å; T131-F168 HydrophobicContact CG2-CE2 3.81Å; T131-F168 HydrophobicContact CG2-CZ 4.24Å
132	Y	98.1	Very high	97.2	Very high	1 Å²	1	7.1 Å²	7.1	0%	0.004	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	12.3	174.2	-69.8	-81.7	0	0	0	114.2	W104 I110 G111 Q128 L130 P134 F168 Y357 I376 A378 M386	W104-Y132 HydrophobicContact CH2-CD1 4.22Å; W104-Y132 HydrophobicContact CZ2-CD1 4.06Å; I110-Y132 HydrophobicContact CD1-CE1 4.04Å; I110-Y132 WeakPolarHBondContact CD1-OH 3.47Å; G111-Y132 WeakPolarHBondContact CA-OH 3.41Å; G111-Y132 PolarHBondContact N-OH 2.74Å; Q128-Y132 WeakPolarHBondContact O-CD2 3.24Å; Q128-Y132 PolarHBondContact O-N 2.89Å; L130-Y132 VanDerWaalsContact C-N 3.29Å; L130-Y132 PolarHBondContact O-N 3.43Å; Y132-P134 VanDerWaalsContact O-CD 3.25Å; Y132-P134 WeakPolarHBondContact O-CD 3.49Å; Y132-F168 HydrophobicContact CD1-CZ 4.14Å; Y132-F168 AromaticContact CE1-CE1 3.77Å; Y132-F168 HydrophobicContact CE1-CE1 3.77Å; Y132-F168 AromaticContact CE1-CZ 3.76Å; Y132-F168 HydrophobicContact CE1-CZ 3.76Å; Y132-Y357 WeakPolarHBondContact O-CD2 3.4Å; Y132-Y357 WeakPolarHBondContact O-CE2 3.46Å; Y132-I376 HydrophobicContact CD1-CD1 3.56Å; Y132-I376 HydrophobicContact CD1-CG1 4.31Å; Y132-I376 HydrophobicContact CD2-CB 4.11Å; Y132-I376 HydrophobicContact CD2-CD1 3.75Å; Y132-I376 HydrophobicContact CD2-CG1 3.6Å; Y132-I376 HydrophobicContact CD2-CG2 4.17Å; Y132-I376 HydrophobicContact CE1-CD1 3.73Å; Y132-I376 HydrophobicContact CE2-CD1 3.94Å; Y132-I376 HydrophobicContact CE2-CG1 3.97Å; Y132-I376 HydrophobicContact CG-CB 4.05Å; Y132-I376 HydrophobicContact CG-CD1 3.56Å; Y132-I376 HydrophobicContact CG-CG1 3.78Å; Y132-I376 HydrophobicContact CG-CG2 4.44Å; Y132-A378 HydrophobicContact CD1-CB 4.38Å; Y132-A378 HydrophobicContact CE1-CB 4.18Å; Y132-M386 HydrophobicContact CE2-CE 3.62Å; Y132-M386 HydrophobicContact CE2-SD 4.49Å
133	T	98.3	Very high	97.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.061	C	C	.	.			trans	-77.7	108.3	169.6	-62.3	0	0	0	0	109.4	C129 L130 P135 L136 A137 V233 F234 V312 Y357	C129-T133 PolarHBondContact O-N 3.12Å; C129-T133 PolarHBondContact O-OG1 2.86Å; L130-T133 VanDerWaalsContact O-CB 3.24Å; L130-T133 WeakPolarHBondContact O-CB 3.38Å; L130-T133 PolarHBondContact O-N 3.44Å; L130-T133 PolarHBondContact O-OG1 3.47Å; T133-P135 HydrophobicContact CG2-CG 4.31Å; T133-L136 HydrophobicContact CG2-CB 4.01Å; T133-L136 PolarHBondContact O-N 3.3Å; T133-L136 VanDerWaalsContact O-N 3.12Å; T133-A137 PolarHBondContact O-N 2.84Å; T133-V233 HydrophobicContact CG2-CG1 4.23Å; T133-F234 HydrophobicContact CG2-CE1 4.2Å; T133-F234 HydrophobicContact CG2-CZ 3.96Å; T133-V312 HydrophobicContact CG2-CG1 4.24Å; T133-V312 HydrophobicContact CG2-CG2 3.94Å; T133-Y357 WeakPolarHBondContact CB-OH 3.19Å; T133-Y357 WeakPolarHBondContact CG2-OH 3.39Å; T133-Y357 WeakPolarHBondContact OG1-CE2 3.23Å; T133-Y357 PolarHBondContact OG1-OH 2.88Å
134	P	96.9	Very high	96.9	Very high	8 Å²	8	15.7 Å²	15.7	5%	0.052	8%	0.075	C	C	.	.	H	α-helix	trans	-55.9	-49.7	-164.8	-23.3	31.8	0	0	0	115.7	W104 Y132 L136 A137 N138 I410	W104-P134 HydrophobicContact CD2-CB 4.15Å; W104-P134 HydrophobicContact CG-CB 4.21Å; W104-P134 HydrophobicContact CZ2-CG 4.34Å; Y132-P134 VanDerWaalsContact O-CD 3.25Å; Y132-P134 WeakPolarHBondContact O-CD 3.49Å; P134-L136 VanDerWaalsContact C-N 3.33Å; P134-L136 PolarHBondContact O-N 2.73Å; P134-A137 PolarHBondContact O-N 2.83Å; P134-N138 WeakPolarHBondContact O-CB 3.48Å; P134-N138 PolarHBondContact O-N 3.22Å; P134-N138 PolarHBondContact O-ND2 2.84Å; P134-N138 VanDerWaalsContact O-ND2 3.08Å; P134-I410 HydrophobicContact CB-CD1 4.41Å; P134-I410 HydrophobicContact CG-CD1 4.02Å
135	P	97.1	Very high	96.6	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.013	8%	0.078	C	C	.	.	H	α-helix	trans	-65.8	-33.8	179.6	24.9	-34.4	0	0	0	113.1	L100 S101 L102 T133 F139 V233 V312 I410	L100-P135 HydrophobicContact CD1-CB 3.77Å; L100-P135 HydrophobicContact CG-CB 4.12Å; S101-P135 VanDerWaalsContact O-CA 3.31Å; S101-P135 WeakPolarHBondContact O-CA 3.32Å; S101-P135 WeakPolarHBondContact O-CB 3.43Å; L102-P135 HydrophobicContact CD2-CB 4.4Å; L102-P135 HydrophobicContact CD2-CG 4.27Å; T133-P135 HydrophobicContact CG2-CG 4.31Å; P135-F139 PolarHBondContact O-N 2.84Å; P135-V233 HydrophobicContact CB-CG2 4.17Å; P135-V233 HydrophobicContact CG-CG1 3.99Å; P135-V233 HydrophobicContact CG-CG2 4.21Å; P135-V312 HydrophobicContact CG-CG2 4Å; P135-I410 HydrophobicContact CG-CD1 4.32Å
136	L	97.4	Very high	96.3	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.3	-46.9	175.1	179.9	58.8	0	0	0	110.6	L130 T133 P134 F139 M140 I164 M210 F229 I230 F234	L130-L136 HydrophobicContact CB-CD2 4.09Å; L130-L136 HydrophobicContact CD2-CD2 4.04Å; T133-L136 HydrophobicContact CG2-CB 4.01Å; T133-L136 PolarHBondContact O-N 3.3Å; T133-L136 VanDerWaalsContact O-N 3.12Å; P134-L136 VanDerWaalsContact C-N 3.33Å; P134-L136 PolarHBondContact O-N 2.73Å; L136-F139 PolarHBondContact O-N 3.38Å; L136-M140 HydrophobicContact CD1-CE 3.67Å; L136-M140 HydrophobicContact CD1-CG 4.02Å; L136-M140 HydrophobicContact CG-CG 4.5Å; L136-M140 WeakPolarHBondContact O-CB 2.97Å; L136-M140 WeakPolarHBondContact O-CG 3.41Å; L136-M140 PolarHBondContact O-N 2.97Å; L136-I164 HydrophobicContact CG-CD1 4.32Å; L136-M210 HydrophobicContact CD1-SD 4.31Å; L136-M210 HydrophobicContact CD2-CE 4.3Å; L136-F229 HydrophobicContact CD1-CE1 3.86Å; L136-I230 HydrophobicContact CD1-CD1 4.46Å; L136-F234 HydrophobicContact CD2-CE2 4.34Å; L136-F234 HydrophobicContact CD2-CZ 4.29Å
137	A	97.3	Very high	95.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.5	-47.9	177.7	0	0	0	0	0	112.1	W104 T131 T133 P134 F139 M140 L141	W104-A137 HydrophobicContact CE3-CB 4.41Å; W104-A137 HydrophobicContact CH2-CB 3.53Å; W104-A137 HydrophobicContact CZ3-CB 3.42Å; W104-A137 VanDerWaalsContact CZ3-CB 3.42Å; T131-A137 WeakPolarHBondContact O-CB 3.45Å; T133-A137 PolarHBondContact O-N 2.84Å; P134-A137 PolarHBondContact O-N 2.83Å; A137-F139 PolarHBondContact O-N 2.79Å; A137-M140 PolarHBondContact O-N 2.8Å; A137-L141 WeakPolarHBondContact O-CB 3.5Å; A137-L141 WeakPolarHBondContact O-CD1 3.28Å; A137-L141 WeakPolarHBondContact O-CG 3.44Å; A137-L141 PolarHBondContact O-N 2.99Å
138	N	96.7	Very high	95.5	Very high	16 Å²	16	30.3 Å²	30.3	9%	0.086	15%	0.153	C	C	.	.	H	α-helix	trans	-52.2	-52.3	176.7	-73	-32.9	0	0	0	111.9	S101 K103 I105 P134 L141 S142	S101-N138 PolarHBondContact O-ND2 2.77Å; K103-N138 PolarHBondContact O-ND2 2.82Å; I105-N138 HydrophobicContact CD1-CB 3.86Å; I105-N138 HydrophobicContact CG1-CB 4.41Å; I105-N138 PolarHBondContact N-OD1 3.43Å; I105-N138 VanDerWaalsContact N-OD1 3.09Å; P134-N138 WeakPolarHBondContact O-CB 3.48Å; P134-N138 PolarHBondContact O-N 3.22Å; P134-N138 PolarHBondContact O-ND2 2.84Å; P134-N138 VanDerWaalsContact O-ND2 3.08Å; N138-L141 PolarHBondContact O-N 2.89Å; N138-S142 PolarHBondContact O-N 3.27Å; N138-S142 VanDerWaalsContact O-N 3.14Å
139	F	95.9	Very high	95.1	Very high	24 Å²	24	31.8 Å²	31.8	11%	0.105	16%	0.163	C	C	.	.	H	α-helix	trans	-68.4	-36.3	-178.1	-178.3	-111	0	0	0	113.1	F95 P135 L136 A137 L141 S142 E144 H145 M157 F229	F95-F139 HydrophobicContact CE2-CD2 4.24Å; F95-F139 AromaticContact CE2-CE2 3.87Å; F95-F139 HydrophobicContact CE2-CE2 3.87Å; F95-F139 HydrophobicContact CE2-CZ 4.39Å; P135-F139 PolarHBondContact O-N 2.84Å; L136-F139 PolarHBondContact O-N 3.38Å; A137-F139 PolarHBondContact O-N 2.79Å; F139-L141 VanDerWaalsContact C-N 3.34Å; F139-S142 PolarHBondContact O-OG 2.81Å; F139-E144 HydrophobicContact CD2-CB 4.34Å; F139-E144 HydrophobicContact CE2-CB 3.72Å; F139-E144 HydrophobicContact CZ-CB 4.26Å; F139-H145 HydrophobicContact CE1-CB 3.85Å; F139-H145 HydrophobicContact CZ-CB 4.01Å; F139-M157 HydrophobicContact CD1-CE 3.99Å; F139-M157 HydrophobicContact CE1-CE 3.62Å; F139-F229 HydrophobicContact CB-CE1 4.19Å; F139-F229 HydrophobicContact CB-CE2 3.67Å; F139-F229 HydrophobicContact CB-CZ 3.41Å; F139-F229 VanDerWaalsContact CB-CZ 3.41Å; F139-F229 AromaticContact CD1-CD1 3.84Å; F139-F229 HydrophobicContact CD1-CD1 3.84Å; F139-F229 HydrophobicContact CD1-CD2 4.17Å; F139-F229 AromaticContact CD1-CE1 3.54Å; F139-F229 HydrophobicContact CD1-CE1 3.54Å; F139-F229 AromaticContact CD1-CE2 3.9Å; F139-F229 HydrophobicContact CD1-CE2 3.9Å; F139-F229 HydrophobicContact CD1-CG 4.14Å; F139-F229 AromaticContact CD1-CZ 3.58Å; F139-F229 HydrophobicContact CD1-CZ 3.58Å; F139-F229 HydrophobicContact CD2-CD2 4.5Å; F139-F229 HydrophobicContact CD2-CE2 4.23Å; F139-F229 HydrophobicContact CE1-CD1 4.06Å; F139-F229 HydrophobicContact CE1-CD2 4.45Å; F139-F229 HydrophobicContact CE1-CE1 4.24Å; F139-F229 HydrophobicContact CE1-CG 4.17Å; F139-F229 HydrophobicContact CG-CD2 4.19Å; F139-F229 HydrophobicContact CG-CE1 4.1Å; F139-F229 AromaticContact CG-CE2 3.67Å; F139-F229 HydrophobicContact CG-CE2 3.67Å; F139-F229 AromaticContact CG-CZ 3.62Å; F139-F229 HydrophobicContact CG-CZ 3.62Å
140	M	96.3	Very high	94.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-70.3	-33.1	176.8	-69.6	-62.4	-171.1	0	0	112	L136 A137 R143 M157 M160 Q161 I164 M210	L136-M140 HydrophobicContact CD1-CE 3.67Å; L136-M140 HydrophobicContact CD1-CG 4.02Å; L136-M140 HydrophobicContact CG-CG 4.5Å; L136-M140 WeakPolarHBondContact O-CB 2.97Å; L136-M140 WeakPolarHBondContact O-CG 3.41Å; L136-M140 PolarHBondContact O-N 2.97Å; A137-M140 PolarHBondContact O-N 2.8Å; M140-R143 PolarHBondContact O-N 2.88Å; M140-M157 HydrophobicContact CE-CB 4.28Å; M140-M157 HydrophobicContact CE-CE 3.47Å; M140-M157 VanDerWaalsContact CE-CE 3.47Å; M140-M157 HydrophobicContact CE-SD 3.5Å; M140-M157 WeakPolarHBondContact CE-SD 3.5Å; M140-M157 HydrophobicContact SD-CE 4.43Å; M140-M160 HydrophobicContact CE-CB 3.88Å; M140-Q161 HydrophobicContact CB-CG 4.14Å; M140-Q161 WeakPolarHBondContact O-CG 3.43Å; M140-Q161 VanDerWaalsContact SD-CA 3.52Å; M140-Q161 HydrophobicContact SD-CB 3.54Å; M140-Q161 VanDerWaalsContact SD-CB 3.54Å; M140-Q161 HydrophobicContact SD-CG 3.79Å; M140-I164 HydrophobicContact CB-CB 4.29Å; M140-I164 HydrophobicContact CB-CD1 4.09Å; M140-I164 HydrophobicContact CB-CG2 4.26Å; M140-I164 HydrophobicContact CG-CD1 4.02Å; M140-M210 HydrophobicContact CE-SD 4.33Å
141	L	95.6	Very high	93.8	Very high	41 Å²	41	45 Å²	45	22%	0.215	23%	0.225	C	C	.	.	H	α-helix	trans	-77.8	-27	178.9	-69.1	166.8	0	0	0	113.5	H108 A137 N138 F139 R143 I164 I165 F168	H108-L141 WeakPolarHBondContact NE2-CD1 3.33Å; A137-L141 WeakPolarHBondContact O-CB 3.5Å; A137-L141 WeakPolarHBondContact O-CD1 3.28Å; A137-L141 WeakPolarHBondContact O-CG 3.44Å; A137-L141 PolarHBondContact O-N 2.99Å; N138-L141 PolarHBondContact O-N 2.89Å; F139-L141 VanDerWaalsContact C-N 3.34Å; L141-R143 PolarHBondContact O-N 2.88Å; L141-I164 HydrophobicContact CD2-CG2 4.2Å; L141-I164 HydrophobicContact CG-CG2 4.11Å; L141-I165 HydrophobicContact CD2-CG1 4.19Å; L141-F168 HydrophobicContact CD1-CD2 4.13Å; L141-F168 HydrophobicContact CD1-CE2 4.4Å; L141-F168 HydrophobicContact CD2-CD2 4.32Å
142	S	94.4	Very high	93	Very high	41 Å²	41	51 Å²	51	29%	0.287	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-14	171.8	75.7	0	0	0	0	113.6	N138 F139 E144 K147	N138-S142 PolarHBondContact O-N 3.27Å; N138-S142 VanDerWaalsContact O-N 3.14Å; F139-S142 PolarHBondContact O-OG 2.81Å; S142-E144 VanDerWaalsContact CB-OE1 3.26Å; S142-E144 WeakPolarHBondContact CB-OE1 3.32Å; S142-E144 PolarHBondContact O-N 2.71Å; S142-E144 VanDerWaalsContact OG-CD 3.29Å; S142-E144 WeakPolarHBondContact OG-CG 3.4Å; S142-E144 PolarHBondContact OG-OE1 2.93Å; S142-K147 PolarHBondContact O-NZ 3.33Å
143	R	94.5	Very high	92.4	Very high	123 Å²	123	54 Å²	54	46%	0.464	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	15.7	-179.7	-49.9	-170.7	-178	-144.4	3.4	114.9	M140 L141 H145 S146 K147 I165	M140-R143 PolarHBondContact O-N 2.88Å; L141-R143 PolarHBondContact O-N 2.88Å; R143-H145 VanDerWaalsContact C-N 3.32Å; R143-H145 PolarHBondContact O-N 2.79Å; R143-S146 PolarHBondContact O-N 3.47Å; R143-S146 PolarHBondContact O-OG 2.96Å; R143-K147 WeakPolarHBondContact O-CG 3.45Å; R143-K147 PolarHBondContact O-N 3.5Å; R143-I165 HydrophobicContact CG-CD1 4.02Å
144	E	90.2	Very high	92.1	Very high	63 Å²	63	56 Å²	56	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-53.2	-47.5	-177.7	-80.5	164.4	-112.7	0	0	112.1	R99 F139 S142 S146 K147 T148	R99-E144 IonicContact CZ-OE2 3.35Å; R99-E144 IonicContact NH2-OE2 3.6Å; R99-E144 PolarHBondContact NH2-OE2 3.36Å; F139-E144 HydrophobicContact CD2-CB 4.34Å; F139-E144 HydrophobicContact CE2-CB 3.72Å; F139-E144 HydrophobicContact CZ-CB 4.26Å; S142-E144 VanDerWaalsContact CB-OE1 3.26Å; S142-E144 WeakPolarHBondContact CB-OE1 3.32Å; S142-E144 PolarHBondContact O-N 2.71Å; S142-E144 VanDerWaalsContact OG-CD 3.29Å; S142-E144 WeakPolarHBondContact OG-CG 3.4Å; S142-E144 PolarHBondContact OG-OE1 2.93Å; E144-S146 PolarHBondContact O-N 2.94Å; E144-K147 WeakPolarHBondContact O-CB 3.38Å; E144-K147 PolarHBondContact O-N 2.74Å; E144-K147 VanDerWaalsContact O-N 3.13Å; E144-T148 PolarHBondContact O-N 3.15Å; E144-T148 PolarHBondContact O-OG1 2.95Å
145	H	91.4	Very high	92	Very high	19 Å²	19	56 Å²	56	9%	0.088	30%	0.304	C	S	.	.	H	α-helix	trans	-58.9	-48.9	-178.6	-175.6	80.1	0	0	0	112.3	F139 R143 K147 T148 C149 C155 M157 C158	F139-H145 HydrophobicContact CE1-CB 3.85Å; F139-H145 HydrophobicContact CZ-CB 4.01Å; R143-H145 VanDerWaalsContact C-N 3.32Å; R143-H145 PolarHBondContact O-N 2.79Å; H145-K147 PolarHBondContact O-N 3.33Å; H145-K147 VanDerWaalsContact O-N 3.16Å; H145-T148 CarbonylContact O-C 3.59Å; H145-T148 PolarHBondContact O-N 3.38Å; H145-T148 PolarHBondContact O-OG1 2.94Å; H145-T148 VanDerWaalsContact O-OG1 3.11Å; H145-C149 WeakPolarHBondContact NE2-CB 3.48Å; H145-C149 VanDerWaalsContact O-CB 3.27Å; H145-C149 WeakPolarHBondContact O-CB 3.37Å; H145-C149 PolarHBondContact O-N 3.26Å; H145-C155 PolarHBondContact NE2-SG 3.23Å; H145-M157 VanDerWaalsContact CD2-CB 3.49Å; H145-M157 WeakPolarHBondContact CD2-CB 3.4Å; H145-M157 WeakPolarHBondContact NE2-CB 3.31Å; H145-C158 VanDerWaalsContact CD2-SG 3.57Å
146	S	91.5	Very high	92	Very high	51 Å²	51	55.9 Å²	55.9	36%	0.357	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-21.3	178.8	62.6	0	0	0	0	115.1	R143 E144 Q161	R143-S146 PolarHBondContact O-N 3.47Å; R143-S146 PolarHBondContact O-OG 2.96Å; E144-S146 PolarHBondContact O-N 2.94Å; S146-Q161 VanDerWaalsContact CB-NE2 3.27Å; S146-Q161 VanDerWaalsContact CB-OE1 3.29Å; S146-Q161 PolarHBondContact OG-NE2 2.63Å; S146-Q161 PolarHBondContact OG-OE1 3.44Å
147	K	90.6	Very high	91.9	Very high	149 Å²	149	55.9 Å²	55.9	65%	0.648	30%	0.303	S	S	*	.	H	α-helix	trans	-80.7	-17.9	175	-62.5	161.9	-175.1	162.4	0	112.6	S142 R143 E144 H145	S142-K147 PolarHBondContact O-NZ 3.33Å; R143-K147 WeakPolarHBondContact O-CG 3.45Å; R143-K147 PolarHBondContact O-N 3.5Å; E144-K147 WeakPolarHBondContact O-CB 3.38Å; E144-K147 PolarHBondContact O-N 2.74Å; E144-K147 VanDerWaalsContact O-N 3.13Å; H145-K147 PolarHBondContact O-N 3.33Å; H145-K147 VanDerWaalsContact O-N 3.16Å
148	T	88.8	Confident	91.9	Very high	94 Å²	94	57.2 Å²	57.2	58%	0.577	31%	0.312	S	S	*	.	H	α-helix	trans	-119.1	-7.2	-175.4	55.4	0	0	0	0	113.9	E144 H145 H150	E144-T148 PolarHBondContact O-N 3.15Å; E144-T148 PolarHBondContact O-OG1 2.95Å; H145-T148 CarbonylContact O-C 3.59Å; H145-T148 PolarHBondContact O-N 3.38Å; H145-T148 PolarHBondContact O-OG1 2.94Å; H145-T148 VanDerWaalsContact O-OG1 3.11Å; T148-H150 PolarHBondContact O-CE1 2.95Å; T148-H150 PolarHBondContact O-ND1 2.84Å
149	C	90.9	Very high	91.9	Very high	35 Å²	35	57.5 Å²	57.5	24%	0.236	32%	0.315	C	S	.	.			trans	-80.6	118.1	-179.5	-178.7	0	0	0	0	110.8	H145 C158	H145-C149 WeakPolarHBondContact NE2-CB 3.48Å; H145-C149 VanDerWaalsContact O-CB 3.27Å; H145-C149 WeakPolarHBondContact O-CB 3.37Å; H145-C149 PolarHBondContact O-N 3.26Å; C149-C158 VanDerWaalsContact SG-SG 3.69Å
150	H	86.8	Confident	91.9	Very high	171 Å²	171	56.4 Å²	56.4	79%	0.792	31%	0.31	S	S	*	.			trans	-111.5	9.8	177.9	-61.1	81.4	0	0	0	112.4	T148 P152	T148-H150 PolarHBondContact O-CE1 2.95Å; T148-H150 PolarHBondContact O-ND1 2.84Å; H150-P152 WeakPolarHBondContact O-CD 3.26Å
151	E	83.4	Confident	92	Very high	108 Å²	108	56.4 Å²	56.4	51%	0.505	31%	0.31	S	S	.	.			trans	-67.7	119.3	-175.8	-76.4	-60	137.9	0	0	112.6	G153 C155	E151-G153 PolarHBondContact O-N 3.04Å; E151-C155 HydrophobicContact CB-CB 4.31Å
152	P	80	Confident	92	Very high	124 Å²	124	58.6 Å²	58.6	81%	0.805	32%	0.322	S	S	*	.	S	Bend	trans	-76.3	96.9	-177.6	30.3	-33.8	0	0	0	111.5	H150	H150-P152 WeakPolarHBondContact O-CD 3.26Å
153	G	87.2	Confident	92.2	Very high	66 Å²	66	56.9 Å²	56.9	68%	0.68	31%	0.309	S	S	*	.	S	Bend	trans	125.4	-96.3	169.2	0	0	0	0	0	113.5	E151	E151-G153 PolarHBondContact O-N 3.04Å
154	F	92.1	Very high	92.4	Very high	40 Å²	40	51 Å²	51	18%	0.175	29%	0.287	C	S	.	.			trans	-108.4	115.8	-178	169.7	-105.2	0	0	0	111.1	M156 E183 R186 I187	F154-M156 HydrophobicContact CE1-CB 4.04Å; F154-M156 HydrophobicContact CE2-CB 4.26Å; F154-M156 HydrophobicContact CE2-SD 3.79Å; F154-M156 HydrophobicContact CZ-CB 3.63Å; F154-M156 HydrophobicContact CZ-CG 4.06Å; F154-M156 HydrophobicContact CZ-SD 3.57Å; F154-M156 VanDerWaalsContact CZ-SD 3.57Å; F154-E183 HydrophobicContact CD2-CB 3.73Å; F154-E183 HydrophobicContact CD2-CG 3.68Å; F154-E183 WeakPolarHBondContact CD2-OE2 3.03Å; F154-E183 HydrophobicContact CE2-CB 3.47Å; F154-E183 VanDerWaalsContact CE2-CB 3.47Å; F154-E183 HydrophobicContact CE2-CG 3.88Å; F154-E183 HydrophobicContact CZ-CB 4.31Å; F154-R186 HydrophobicContact CD1-CB 4.16Å; F154-R186 HydrophobicContact CE1-CB 4.15Å; F154-I187 HydrophobicContact CZ-CG1 3.87Å
155	C	94.9	Very high	92.7	Very high	8 Å²	8	49.1 Å²	49.1	5%	0.054	28%	0.279	C	S	.	.			trans	-116.4	117.3	163.6	168.8	0	0	0	0	107.7	H145 E151 M157 C158 T159	H145-C155 PolarHBondContact NE2-SG 3.23Å; E151-C155 HydrophobicContact CB-CB 4.31Å; C155-M157 PolarHBondContact O-N 3.44Å; C155-C158 HydrophobicContact CB-CB 4.04Å; C155-C158 WeakPolarHBondContact O-CB 3.23Å; C155-C158 PolarHBondContact O-N 3.18Å; C155-C158 VanDerWaalsContact O-N 3.16Å; C155-C158 PolarHBondContact SG-N 3.4Å; C155-C158 VanDerWaalsContact SG-N 3.4Å; C155-T159 PolarHBondContact O-N 2.8Å; C155-T159 PolarHBondContact O-OG1 2.97Å
156	M	95.6	Very high	92.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.4	-28.6	-178.4	-171.2	55.7	179.8	0	0	111.7	F154 T159 M160 V180 I187 T206 A209 M210 S213	F154-M156 HydrophobicContact CE1-CB 4.04Å; F154-M156 HydrophobicContact CE2-CB 4.26Å; F154-M156 HydrophobicContact CE2-SD 3.79Å; F154-M156 HydrophobicContact CZ-CB 3.63Å; F154-M156 HydrophobicContact CZ-CG 4.06Å; F154-M156 HydrophobicContact CZ-SD 3.57Å; F154-M156 VanDerWaalsContact CZ-SD 3.57Å; M156-T159 PolarHBondContact O-N 3.43Å; M156-T159 HydrophobicContact SD-CG2 4.26Å; M156-M160 HydrophobicContact CE-CG 3.82Å; M156-M160 HydrophobicContact CE-SD 3.87Å; M156-M160 HydrophobicContact CG-CG 4.36Å; M156-M160 WeakPolarHBondContact O-CB 3.49Å; M156-M160 WeakPolarHBondContact O-CG 3.42Å; M156-M160 PolarHBondContact O-N 3.2Å; M156-M160 HydrophobicContact SD-CG 4.4Å; M156-V180 HydrophobicContact CE-CG1 4.23Å; M156-I187 HydrophobicContact CE-CD1 3.49Å; M156-I187 VanDerWaalsContact CE-CD1 3.49Å; M156-I187 HydrophobicContact CE-CG1 4.12Å; M156-I187 HydrophobicContact SD-CD1 3.81Å; M156-I187 HydrophobicContact SD-CG1 3.98Å; M156-T206 HydrophobicContact CE-CG2 3.59Å; M156-A209 HydrophobicContact CB-CB 3.81Å; M156-A209 HydrophobicContact CG-CB 3.86Å; M156-M210 HydrophobicContact CB-CG 4.25Å; M156-M210 HydrophobicContact CG-CG 3.78Å; M156-S213 PolarHBondContact N-OG 2.66Å
157	M	96.4	Very high	93.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-45.4	172.1	-70.1	-71.2	-71.3	0	0	111	F139 M140 H145 C155 T159 M160 Q161 M210 F229 I230	F139-M157 HydrophobicContact CD1-CE 3.99Å; F139-M157 HydrophobicContact CE1-CE 3.62Å; M140-M157 HydrophobicContact CE-CB 4.28Å; M140-M157 HydrophobicContact CE-CE 3.47Å; M140-M157 VanDerWaalsContact CE-CE 3.47Å; M140-M157 HydrophobicContact CE-SD 3.5Å; M140-M157 WeakPolarHBondContact CE-SD 3.5Å; M140-M157 HydrophobicContact SD-CE 4.43Å; H145-M157 VanDerWaalsContact CD2-CB 3.49Å; H145-M157 WeakPolarHBondContact CD2-CB 3.4Å; H145-M157 WeakPolarHBondContact NE2-CB 3.31Å; C155-M157 PolarHBondContact O-N 3.44Å; M157-T159 PolarHBondContact O-N 3.16Å; M157-M160 PolarHBondContact O-N 3.33Å; M157-Q161 VanDerWaalsContact O-CB 3.3Å; M157-Q161 WeakPolarHBondContact O-CB 3.36Å; M157-Q161 PolarHBondContact O-N 2.98Å; M157-M210 HydrophobicContact CG-CB 4.23Å; M157-M210 HydrophobicContact CG-CG 4.43Å; M157-M210 HydrophobicContact SD-CB 3.7Å; M157-M210 HydrophobicContact SD-CG 3.86Å; M157-M210 HydrophobicContact SD-SD 3.98Å; M157-F229 HydrophobicContact CE-CD1 3.68Å; M157-F229 HydrophobicContact CE-CE1 4.1Å; M157-I230 HydrophobicContact SD-CD1 3.84Å; M157-I230 HydrophobicContact SD-CG1 4.02Å
158	C	96.1	Very high	93.6	Very high	28 Å²	28	43.9 Å²	43.9	19%	0.189	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-41.8	173.3	-72.6	0	0	0	0	112.8	H145 C149 C155 Q161 N162	H145-C158 VanDerWaalsContact CD2-SG 3.57Å; C149-C158 VanDerWaalsContact SG-SG 3.69Å; C155-C158 HydrophobicContact CB-CB 4.04Å; C155-C158 WeakPolarHBondContact O-CB 3.23Å; C155-C158 PolarHBondContact O-N 3.18Å; C155-C158 VanDerWaalsContact O-N 3.16Å; C155-C158 PolarHBondContact SG-N 3.4Å; C155-C158 VanDerWaalsContact SG-N 3.4Å; C158-Q161 WeakPolarHBondContact O-CB 3.42Å; C158-Q161 PolarHBondContact O-N 2.61Å; C158-N162 PolarHBondContact O-N 3.46Å; C158-N162 PolarHBondContact O-ND2 2.89Å
159	T	96.7	Very high	93.9	Very high	23 Å²	23	43.3 Å²	43.3	14%	0.141	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-45.4	177	-57.4	0	0	0	0	111.7	C155 M156 M157 N162 H163 G179 V180	C155-T159 PolarHBondContact O-N 2.8Å; C155-T159 PolarHBondContact O-OG1 2.97Å; M156-T159 PolarHBondContact O-N 3.43Å; M156-T159 HydrophobicContact SD-CG2 4.26Å; M157-T159 PolarHBondContact O-N 3.16Å; T159-N162 PolarHBondContact O-N 3.28Å; T159-H163 WeakPolarHBondContact O-CB 3.47Å; T159-H163 PolarHBondContact O-N 2.83Å; T159-G179 VanDerWaalsContact CG2-O 3.31Å; T159-G179 WeakPolarHBondContact CG2-O 3.25Å; T159-V180 HydrophobicContact CG2-CB 4.48Å; T159-V180 HydrophobicContact CG2-CG2 3.87Å
160	M	97.5	Very high	94.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.7	-36	175.1	-72.5	-63.1	-63.1	0	0	112.5	L127 L130 M140 M156 M157 H163 I164 T206 M210	L127-M160 HydrophobicContact CD2-CE 3.9Å; L127-M160 HydrophobicContact CD2-SD 3.51Å; L127-M160 VanDerWaalsContact CD2-SD 3.51Å; L130-M160 HydrophobicContact CB-CE 3.84Å; L130-M160 HydrophobicContact CD1-CE 3.86Å; M140-M160 HydrophobicContact CE-CB 3.88Å; M156-M160 HydrophobicContact CE-CG 3.82Å; M156-M160 HydrophobicContact CE-SD 3.87Å; M156-M160 HydrophobicContact CG-CG 4.36Å; M156-M160 WeakPolarHBondContact O-CB 3.49Å; M156-M160 WeakPolarHBondContact O-CG 3.42Å; M156-M160 PolarHBondContact O-N 3.2Å; M156-M160 HydrophobicContact SD-CG 4.4Å; M157-M160 PolarHBondContact O-N 3.33Å; M160-H163 PolarHBondContact O-N 3.06Å; M160-I164 WeakPolarHBondContact O-CG1 3.45Å; M160-I164 PolarHBondContact O-N 2.95Å; M160-T206 HydrophobicContact SD-CG2 4.34Å; M160-M210 HydrophobicContact CB-SD 4.1Å; M160-M210 HydrophobicContact CG-CG 4.16Å; M160-M210 HydrophobicContact CG-SD 3.72Å
161	Q	97.5	Very high	94.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-52.1	174.7	-157.4	-163.2	-91.7	0	0	110.5	M140 S146 M157 C158 H163 I164 I165	M140-Q161 HydrophobicContact CB-CG 4.14Å; M140-Q161 WeakPolarHBondContact O-CG 3.43Å; M140-Q161 VanDerWaalsContact SD-CA 3.52Å; M140-Q161 HydrophobicContact SD-CB 3.54Å; M140-Q161 VanDerWaalsContact SD-CB 3.54Å; M140-Q161 HydrophobicContact SD-CG 3.79Å; S146-Q161 VanDerWaalsContact CB-NE2 3.27Å; S146-Q161 VanDerWaalsContact CB-OE1 3.29Å; S146-Q161 PolarHBondContact OG-NE2 2.63Å; S146-Q161 PolarHBondContact OG-OE1 3.44Å; M157-Q161 VanDerWaalsContact O-CB 3.3Å; M157-Q161 WeakPolarHBondContact O-CB 3.36Å; M157-Q161 PolarHBondContact O-N 2.98Å; C158-Q161 WeakPolarHBondContact O-CB 3.42Å; C158-Q161 PolarHBondContact O-N 2.61Å; Q161-H163 VanDerWaalsContact C-N 3.34Å; Q161-H163 PolarHBondContact O-N 3Å; Q161-I164 PolarHBondContact O-N 2.79Å; Q161-I165 HydrophobicContact CG-CD1 4Å; Q161-I165 WeakPolarHBondContact O-CB 3.32Å; Q161-I165 VanDerWaalsContact O-CD1 3.27Å; Q161-I165 WeakPolarHBondContact O-CD1 3.46Å; Q161-I165 WeakPolarHBondContact O-CG1 3.4Å; Q161-I165 PolarHBondContact O-N 2.85Å
162	N	96.6	Very high	94.9	Very high	86 Å²	86	36.1 Å²	36.1	46%	0.46	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-38.2	178.8	-70.4	-24.9	0	0	0	112.1	C158 T159 Q166	C158-N162 PolarHBondContact O-N 3.46Å; C158-N162 PolarHBondContact O-ND2 2.89Å; T159-N162 PolarHBondContact O-N 3.28Å; N162-Q166 WeakPolarHBondContact O-CB 3.3Å; N162-Q166 VanDerWaalsContact O-CG 3.25Å; N162-Q166 WeakPolarHBondContact O-CG 3.38Å; N162-Q166 PolarHBondContact O-N 2.9Å
163	H	97.6	Very high	95.7	Very high	5 Å²	5	35 Å²	35	2%	0.023	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-52.1	175.2	179.6	62.8	0	0	0	112.4	T159 M160 Q161 I165 Q166 V167 V180	T159-H163 WeakPolarHBondContact O-CB 3.47Å; T159-H163 PolarHBondContact O-N 2.83Å; M160-H163 PolarHBondContact O-N 3.06Å; Q161-H163 VanDerWaalsContact C-N 3.34Å; Q161-H163 PolarHBondContact O-N 3Å; H163-I165 VanDerWaalsContact C-N 3.32Å; H163-I165 PolarHBondContact O-N 2.91Å; H163-Q166 WeakPolarHBondContact O-CB 3.39Å; H163-Q166 PolarHBondContact O-N 3.17Å; H163-Q166 VanDerWaalsContact O-N 3.09Å; H163-V167 WeakPolarHBondContact O-CG2 3.17Å; H163-V167 PolarHBondContact O-N 2.85Å; H163-V180 HydrophobicContact CB-CG2 4.44Å
164	I	97.8	Very high	96.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-61.8	-41.3	-179.4	-69.8	-174.6	0	0	0	111.1	T131 L136 M140 L141 M160 Q161 Q166 V167 F168	T131-I164 HydrophobicContact CG2-CB 4.47Å; T131-I164 HydrophobicContact CG2-CG1 3.98Å; T131-I164 HydrophobicContact CG2-CG2 4.38Å; L136-I164 HydrophobicContact CG-CD1 4.32Å; M140-I164 HydrophobicContact CB-CB 4.29Å; M140-I164 HydrophobicContact CB-CD1 4.09Å; M140-I164 HydrophobicContact CB-CG2 4.26Å; M140-I164 HydrophobicContact CG-CD1 4.02Å; L141-I164 HydrophobicContact CD2-CG2 4.2Å; L141-I164 HydrophobicContact CG-CG2 4.11Å; M160-I164 WeakPolarHBondContact O-CG1 3.45Å; M160-I164 PolarHBondContact O-N 2.95Å; Q161-I164 PolarHBondContact O-N 2.79Å; I164-Q166 VanDerWaalsContact C-N 3.35Å; I164-Q166 PolarHBondContact O-N 3.33Å; I164-V167 PolarHBondContact O-N 2.97Å; I164-F168 HydrophobicContact CG2-CD2 3.87Å; I164-F168 HydrophobicContact CG2-CE2 3.94Å; I164-F168 WeakPolarHBondContact O-CD2 3.28Å; I164-F168 PolarHBondContact O-N 3.26Å; I164-F168 VanDerWaalsContact O-N 3.13Å
165	I	96.9	Very high	96.5	Very high	24 Å²	24	34.3 Å²	34.3	12%	0.123	22%	0.215	C	C	.	.	H	α-helix	trans	-59.2	-45.3	173.6	-69.7	162	0	0	0	110.9	L141 R143 Q161 H163 A169	L141-I165 HydrophobicContact CD2-CG1 4.19Å; R143-I165 HydrophobicContact CG-CD1 4.02Å; Q161-I165 HydrophobicContact CG-CD1 4Å; Q161-I165 WeakPolarHBondContact O-CB 3.32Å; Q161-I165 VanDerWaalsContact O-CD1 3.27Å; Q161-I165 WeakPolarHBondContact O-CD1 3.46Å; Q161-I165 WeakPolarHBondContact O-CG1 3.4Å; Q161-I165 PolarHBondContact O-N 2.85Å; H163-I165 VanDerWaalsContact C-N 3.32Å; H163-I165 PolarHBondContact O-N 2.91Å; I165-A169 WeakPolarHBondContact O-CB 3.26Å; I165-A169 PolarHBondContact O-N 3.26Å
166	Q	97.1	Very high	96.5	Very high	93 Å²	93	38.6 Å²	38.6	44%	0.435	23%	0.233	S	C	.	.	H	α-helix	trans	-65.2	-41	178	-75.6	172.2	-3.6	0	0	112.5	N162 H163 I164 N170 I175	N162-Q166 WeakPolarHBondContact O-CB 3.3Å; N162-Q166 VanDerWaalsContact O-CG 3.25Å; N162-Q166 WeakPolarHBondContact O-CG 3.38Å; N162-Q166 PolarHBondContact O-N 2.9Å; H163-Q166 WeakPolarHBondContact O-CB 3.39Å; H163-Q166 PolarHBondContact O-N 3.17Å; H163-Q166 VanDerWaalsContact O-N 3.09Å; I164-Q166 VanDerWaalsContact C-N 3.35Å; I164-Q166 PolarHBondContact O-N 3.33Å; Q166-N170 WeakPolarHBondContact O-CB 3.25Å; Q166-N170 PolarHBondContact O-N 2.97Å; Q166-N170 VanDerWaalsContact O-N 3.08Å; Q166-N170 PolarHBondContact O-ND2 3Å; Q166-I175 HydrophobicContact CB-CD1 3.91Å
167	V	97.8	Very high	96.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.3	-49.9	178.4	170.9	0	0	0	0	111	G111 A112 L114 T131 H163 I164 I175	G111-V167 CarbonylContact C-O 2.89Å; G111-V167 VanDerWaalsContact CA-O 3.24Å; G111-V167 WeakPolarHBondContact CA-O 3.43Å; A112-V167 PolarHBondContact N-O 3.44Å; L114-V167 HydrophobicContact CD2-CG2 4.11Å; T131-V167 HydrophobicContact CG2-CB 4.04Å; T131-V167 HydrophobicContact CG2-CG1 3.79Å; T131-V167 HydrophobicContact CG2-CG2 4.36Å; H163-V167 WeakPolarHBondContact O-CG2 3.17Å; H163-V167 PolarHBondContact O-N 2.85Å; I164-V167 PolarHBondContact O-N 2.97Å; V167-I175 HydrophobicContact CB-CD1 4.48Å; V167-I175 HydrophobicContact CG2-CD1 3.67Å
168	F	97	Very high	96.4	Very high	16 Å²	16	42.5 Å²	42.5	7%	0.07	25%	0.253	C	S	.	.	H	α-helix	trans	-74.5	-34.8	-179.2	-73.3	-65	0	0	0	113.4	W104 H108 T131 Y132 L141 I164 N170 S171	W104-F168 HydrophobicContact CH2-CE2 4.39Å; W104-F168 AromaticContact CH2-CZ 3.84Å; W104-F168 HydrophobicContact CH2-CZ 3.84Å; W104-F168 HydrophobicContact CZ3-CE2 4.45Å; W104-F168 HydrophobicContact CZ3-CZ 4.1Å; H108-F168 HydrophobicContact CB-CD1 3.77Å; H108-F168 HydrophobicContact CB-CE1 3.83Å; T131-F168 HydrophobicContact CG2-CD2 4.48Å; T131-F168 HydrophobicContact CG2-CE2 3.81Å; T131-F168 HydrophobicContact CG2-CZ 4.24Å; Y132-F168 HydrophobicContact CD1-CZ 4.14Å; Y132-F168 AromaticContact CE1-CE1 3.77Å; Y132-F168 HydrophobicContact CE1-CE1 3.77Å; Y132-F168 AromaticContact CE1-CZ 3.76Å; Y132-F168 HydrophobicContact CE1-CZ 3.76Å; L141-F168 HydrophobicContact CD1-CD2 4.13Å; L141-F168 HydrophobicContact CD1-CE2 4.4Å; L141-F168 HydrophobicContact CD2-CD2 4.32Å; I164-F168 HydrophobicContact CG2-CD2 3.87Å; I164-F168 HydrophobicContact CG2-CE2 3.94Å; I164-F168 WeakPolarHBondContact O-CD2 3.28Å; I164-F168 PolarHBondContact O-N 3.26Å; I164-F168 VanDerWaalsContact O-N 3.13Å; F168-N170 VanDerWaalsContact C-N 3.26Å; F168-N170 PolarHBondContact O-N 3.43Å; F168-S171 PolarHBondContact O-N 3.11Å; F168-S171 PolarHBondContact O-OG 2.74Å
169	A	96.6	Very high	96.2	Very high	81 Å²	81	43.2 Å²	43.2	67%	0.669	27%	0.265	S	S	*	.	H	α-helix	trans	-64.5	-29.6	175.2	0	0	0	0	0	113	I165	I165-A169 WeakPolarHBondContact O-CB 3.26Å; I165-A169 PolarHBondContact O-N 3.26Å
170	N	96.6	Very high	96	Very high	58 Å²	58	42.2 Å²	42.2	31%	0.31	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	35.2	-180	-68.1	-85.8	0	0	0	112.4	A112 Q166 F168 G172 N173 I175	A112-N170 HydrophobicContact CB-CB 4.03Å; A112-N170 WeakPolarHBondContact CB-O 3.41Å; Q166-N170 WeakPolarHBondContact O-CB 3.25Å; Q166-N170 PolarHBondContact O-N 2.97Å; Q166-N170 VanDerWaalsContact O-N 3.08Å; Q166-N170 PolarHBondContact O-ND2 3Å; F168-N170 VanDerWaalsContact C-N 3.26Å; F168-N170 PolarHBondContact O-N 3.43Å; N170-G172 PolarHBondContact O-N 2.89Å; N170-N173 HydrophobicContact CB-CB 4.24Å; N170-N173 WeakPolarHBondContact O-CB 3.39Å; N170-N173 PolarHBondContact O-N 3.19Å; N170-I175 HydrophobicContact CB-CG2 3.63Å
171	S	94.3	Very high	95.8	Very high	40 Å²	40	43.2 Å²	43.2	28%	0.28	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	122.8	178.5	-69.2	0	0	0	0	112.2	I110 F168	I110-S171 VanDerWaalsContact O-CA 3.23Å; I110-S171 WeakPolarHBondContact O-CA 3.34Å; I110-S171 WeakPolarHBondContact O-CB 3.35Å; I110-S171 PolarHBondContact O-OG 3.29Å; F168-S171 PolarHBondContact O-N 3.11Å; F168-S171 PolarHBondContact O-OG 2.74Å
172	G	91.3	Very high	95.6	Very high	66 Å²	66	48.5 Å²	48.5	68%	0.68	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-9.9	-176.6	0	0	0	0	0	116.2	I110 N170	I110-G172 PolarHBondContact O-N 3.11Å; N170-G172 PolarHBondContact O-N 2.89Å
173	N	95.7	Very high	95.4	Very high	99 Å²	99	46.6 Å²	46.6	53%	0.529	28%	0.281	S	S	.	.	S	Bend	trans	-96.1	-175.3	175	-65.3	-28.4	0	0	0	111.6	A112 G113 N170	A112-N173 CarbonylContact C-O 3.46Å; A112-N173 WeakPolarHBondContact CA-O 3.11Å; A112-N173 WeakPolarHBondContact CB-O 3.3Å; G113-N173 PolarHBondContact N-O 3.19Å; N170-N173 HydrophobicContact CB-CB 4.24Å; N170-N173 WeakPolarHBondContact O-CB 3.39Å; N170-N173 PolarHBondContact O-N 3.19Å
174	V	97.8	Very high	95.1	Very high	73 Å²	73	46.7 Å²	46.7	44%	0.442	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.2	171.9	-176.1	0	0	0	0	109.1	G113 Q115 S389	G113-V174 CarbonylContact O-C 3.59Å; G113-V174 WeakPolarHBondContact O-CA 3.41Å; Q115-V174 HydrophobicContact CB-CG1 3.82Å; V174-S389 WeakPolarHBondContact CG2-O 3.44Å
175	I	97.8	Very high	94.8	Very high	19 Å²	19	54 Å²	54	10%	0.097	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	160.9	175.1	68.7	169.8	0	0	0	111.8	A112 G113 L114 Q115 Q166 V167 N170	A112-I175 HydrophobicContact CB-CB 4.44Å; A112-I175 HydrophobicContact CB-CD1 4.43Å; A112-I175 HydrophobicContact CB-CG1 4Å; A112-I175 HydrophobicContact CB-CG2 3.88Å; G113-I175 PolarHBondContact O-N 3.42Å; L114-I175 CarbonylContact C-O 3.02Å; L114-I175 WeakPolarHBondContact CA-O 3.48Å; L114-I175 HydrophobicContact CD2-CD1 3.91Å; L114-I175 HydrophobicContact CD2-CG1 3.5Å; Q115-I175 PolarHBondContact N-O 2.71Å; Q166-I175 HydrophobicContact CB-CD1 3.91Å; V167-I175 HydrophobicContact CB-CD1 4.48Å; V167-I175 HydrophobicContact CG2-CD1 3.67Å; N170-I175 HydrophobicContact CB-CG2 3.63Å
176	K	96.8	Very high	94.5	Very high	99 Å²	99	59.7 Å²	59.7	43%	0.43	33%	0.333	S	S	.	.			trans	-102.1	125.1	171.7	-63.3	172.7	177.6	173.6	0	108.7	Q115 M117 I178	Q115-K176 HydrophobicContact CB-CG 4.12Å; M117-K176 HydrophobicContact CE-CD 4.36Å; M117-K176 HydrophobicContact SD-CB 4.3Å; M117-K176 HydrophobicContact SD-CD 3.78Å; M117-K176 HydrophobicContact SD-CG 3.8Å; K176-I178 HydrophobicContact CB-CD1 3.91Å; K176-I178 HydrophobicContact CB-CG1 3.69Å; K176-I178 HydrophobicContact CD-CD1 4.25Å; K176-I178 PolarHBondContact O-N 2.9Å
177	P	94.7	Very high	94.2	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.013	31%	0.314	C	S	.	.			trans	-77.3	46.4	-177.7	32.5	-36.6	0	0	0	113.4	L123 L127 G179 V180 L181	L123-P177 HydrophobicContact CD2-CB 4.26Å; L123-P177 HydrophobicContact CD2-CG 3.72Å; L127-P177 HydrophobicContact CD1-CB 3.85Å; L127-P177 HydrophobicContact CD1-CG 4.48Å; P177-G179 VanDerWaalsContact C-N 3.29Å; P177-G179 PolarHBondContact O-N 3.37Å; P177-V180 PolarHBondContact O-N 3.04Å; P177-L181 WeakPolarHBondContact O-CB 3.24Å; P177-L181 PolarHBondContact O-N 3.43Å
178	I	93.3	Very high	93.9	Very high	80 Å²	80	55.9 Å²	55.9	41%	0.41	32%	0.316	S	S	.	.	H	α-helix	trans	-57.2	-38.8	-169.2	-61.3	172.9	0	0	0	112.3	K176 V180 L181 N182	K176-I178 HydrophobicContact CB-CD1 3.91Å; K176-I178 HydrophobicContact CB-CG1 3.69Å; K176-I178 HydrophobicContact CD-CD1 4.25Å; K176-I178 PolarHBondContact O-N 2.9Å; I178-V180 VanDerWaalsContact C-N 3.31Å; I178-V180 PolarHBondContact O-N 3.25Å; I178-L181 PolarHBondContact O-N 3.13Å; I178-N182 WeakPolarHBondContact O-CB 3.16Å; I178-N182 VanDerWaalsContact O-CG 3.26Å; I178-N182 PolarHBondContact O-N 2.69Å; I178-N182 PolarHBondContact O-OD1 3.29Å
179	G	92.1	Very high	93.6	Very high	43 Å²	43	64.4 Å²	64.4	44%	0.443	35%	0.353	S	S	.	.	H	α-helix	trans	-62.2	-33.7	178.7	0	0	0	0	0	114.1	T159 P177 E183	T159-G179 VanDerWaalsContact CG2-O 3.31Å; T159-G179 WeakPolarHBondContact CG2-O 3.25Å; P177-G179 VanDerWaalsContact C-N 3.29Å; P177-G179 PolarHBondContact O-N 3.37Å; G179-E183 WeakPolarHBondContact O-CG 3.29Å
180	V	93.9	Very high	93.3	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.012	34%	0.339	C	S	.	.	H	α-helix	trans	-79.2	-41	173.3	-179.3	0	0	0	0	110.3	L123 L127 M156 T159 H163 P177 I178 E183 L184 I187 F202	L123-V180 HydrophobicContact CD1-CG1 4.08Å; L127-V180 HydrophobicContact CD1-CB 4.19Å; L127-V180 HydrophobicContact CD1-CG1 4.16Å; L127-V180 HydrophobicContact CD1-CG2 4Å; L127-V180 HydrophobicContact CD2-CG1 4.3Å; L127-V180 HydrophobicContact CD2-CG2 4.13Å; M156-V180 HydrophobicContact CE-CG1 4.23Å; T159-V180 HydrophobicContact CG2-CB 4.48Å; T159-V180 HydrophobicContact CG2-CG2 3.87Å; H163-V180 HydrophobicContact CB-CG2 4.44Å; P177-V180 PolarHBondContact O-N 3.04Å; I178-V180 VanDerWaalsContact C-N 3.31Å; I178-V180 PolarHBondContact O-N 3.25Å; V180-E183 PolarHBondContact O-N 3.23Å; V180-L184 PolarHBondContact O-N 3.39Å; V180-L184 VanDerWaalsContact O-N 3.15Å; V180-I187 HydrophobicContact CG1-CD1 3.89Å; V180-F202 HydrophobicContact CG1-CE2 4.46Å; V180-F202 HydrophobicContact CG1-CZ 3.91Å
181	L	92.9	Very high	93	Very high	21 Å²	21	61.7 Å²	61.7	11%	0.11	32%	0.324	C	S	.	.	H	α-helix	trans	-63.5	-41.5	-175.2	-167.1	66.8	0	0	0	113.2	M117 T120 L123 P177 I178 E183 L184 Y193	M117-L181 HydrophobicContact CB-CD2 4.2Å; M117-L181 HydrophobicContact CG-CD2 4.14Å; T120-L181 HydrophobicContact CG2-CD1 3.99Å; L123-L181 HydrophobicContact CD1-CD1 4.33Å; P177-L181 WeakPolarHBondContact O-CB 3.24Å; P177-L181 PolarHBondContact O-N 3.43Å; I178-L181 PolarHBondContact O-N 3.13Å; L181-E183 VanDerWaalsContact C-N 3.34Å; L181-L184 VanDerWaalsContact O-CB 3.22Å; L181-L184 WeakPolarHBondContact O-CB 3.42Å; L181-L184 PolarHBondContact O-N 3.09Å; L181-Y193 HydrophobicContact CD1-CD2 3.76Å; L181-Y193 HydrophobicContact CD1-CE2 3.93Å; L181-Y193 HydrophobicContact CD2-CD2 4.28Å; L181-Y193 HydrophobicContact CD2-CE2 3.76Å; L181-Y193 HydrophobicContact CG-CD2 4.11Å; L181-Y193 HydrophobicContact CG-CE2 4.1Å
182	N	92	Very high	92.7	Very high	111 Å²	111	68.1 Å²	68.1	59%	0.594	34%	0.343	S	S	*	.	H	α-helix	trans	-64.1	-41	177.5	-70.8	-3.2	0	0	0	111.4	I178 L184	I178-N182 WeakPolarHBondContact O-CB 3.16Å; I178-N182 VanDerWaalsContact O-CG 3.26Å; I178-N182 PolarHBondContact O-N 2.69Å; I178-N182 PolarHBondContact O-OD1 3.29Å; N182-L184 VanDerWaalsContact C-N 3.29Å; N182-L184 PolarHBondContact O-N 3.13Å
183	E	92.4	Very high	92.5	Very high	47 Å²	47	71.3 Å²	71.3	22%	0.22	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	4.6	-176.5	-53.9	-60.3	99.8	0	0	113.1	F154 G179 V180 L181 K185 R186 I187	F154-E183 HydrophobicContact CD2-CB 3.73Å; F154-E183 HydrophobicContact CD2-CG 3.68Å; F154-E183 WeakPolarHBondContact CD2-OE2 3.03Å; F154-E183 HydrophobicContact CE2-CB 3.47Å; F154-E183 VanDerWaalsContact CE2-CB 3.47Å; F154-E183 HydrophobicContact CE2-CG 3.88Å; F154-E183 HydrophobicContact CZ-CB 4.31Å; G179-E183 WeakPolarHBondContact O-CG 3.29Å; V180-E183 PolarHBondContact O-N 3.23Å; L181-E183 VanDerWaalsContact C-N 3.34Å; E183-K185 PolarHBondContact O-N 2.61Å; E183-K185 VanDerWaalsContact O-N 3.11Å; E183-R186 WeakPolarHBondContact O-CA 3.3Å; E183-R186 WeakPolarHBondContact O-CB 3.4Å; E183-R186 PolarHBondContact O-N 2.76Å; E183-R186 WeakPolarHBondContact OE2-CD 3.29Å; E183-R186 IonicContact OE2-CZ 3Å; E183-R186 IonicContact OE2-NE 2.72Å; E183-R186 IonicContact OE2-NH1 2.65Å; E183-R186 PolarHBondContact OE2-NH1 2.99Å; E183-I187 PolarHBondContact O-N 2.84Å; E183-I187 VanDerWaalsContact O-N 3.08Å
184	L	92.5	Very high	92.1	Very high	7 Å²	7	68.2 Å²	68.2	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-50.5	-39.9	-177.7	-177.9	63.4	0	0	0	113.1	L123 V180 L181 N182 R186 I187 A188 F191 F202	L123-L184 HydrophobicContact CD1-CD1 4.36Å; V180-L184 PolarHBondContact O-N 3.39Å; V180-L184 VanDerWaalsContact O-N 3.15Å; L181-L184 VanDerWaalsContact O-CB 3.22Å; L181-L184 WeakPolarHBondContact O-CB 3.42Å; L181-L184 PolarHBondContact O-N 3.09Å; N182-L184 VanDerWaalsContact C-N 3.29Å; N182-L184 PolarHBondContact O-N 3.13Å; L184-R186 VanDerWaalsContact C-N 3.25Å; L184-R186 PolarHBondContact O-N 2.72Å; L184-I187 PolarHBondContact O-N 2.87Å; L184-A188 PolarHBondContact O-N 3.45Å; L184-F191 HydrophobicContact CD1-CB 3.98Å; L184-F191 HydrophobicContact CD1-CD2 3.67Å; L184-F191 HydrophobicContact CD1-CG 4.15Å; L184-F191 HydrophobicContact CD2-CB 4.08Å; L184-F191 HydrophobicContact CG-CB 3.81Å; L184-F191 HydrophobicContact CG-CD2 4.36Å; L184-F202 HydrophobicContact CD1-CD2 3.85Å; L184-F202 HydrophobicContact CD1-CE2 3.68Å
185	K	90.9	Very high	91.6	Very high	153 Å²	153	66.8 Å²	66.8	67%	0.665	32%	0.32	S	S	*	.	H	α-helix	trans	-69.1	-17.4	177.3	-68.8	178.2	179.9	171.7	0	114.4	E183 A188	E183-K185 PolarHBondContact O-N 2.61Å; E183-K185 VanDerWaalsContact O-N 3.11Å; K185-A188 CarbonylContact C-O 3.59Å; K185-A188 WeakPolarHBondContact CA-O 3.5Å
186	R	91.3	Very high	91.2	Very high	143 Å²	143	68.9 Å²	68.9	54%	0.54	33%	0.329	S	S	.	.	H	α-helix	trans	-91.4	-33.9	174.8	-54.8	173.9	91.1	157.9	2.1	110.9	F154 E183 L184	F154-R186 HydrophobicContact CD1-CB 4.16Å; F154-R186 HydrophobicContact CE1-CB 4.15Å; E183-R186 WeakPolarHBondContact O-CA 3.3Å; E183-R186 WeakPolarHBondContact O-CB 3.4Å; E183-R186 PolarHBondContact O-N 2.76Å; E183-R186 WeakPolarHBondContact OE2-CD 3.29Å; E183-R186 IonicContact OE2-CZ 3Å; E183-R186 IonicContact OE2-NE 2.72Å; E183-R186 IonicContact OE2-NH1 2.65Å; E183-R186 PolarHBondContact OE2-NH1 2.99Å; L184-R186 VanDerWaalsContact C-N 3.25Å; L184-R186 PolarHBondContact O-N 2.72Å
187	I	91.6	Very high	90.9	Very high	8 Å²	8	65.8 Å²	65.8	4%	0.041	32%	0.316	C	S	.	.	H	α-helix	trans	-61.5	-54.3	169.6	-62.1	168.5	0	0	0	109.4	F154 M156 V180 E183 L184 F202	F154-I187 HydrophobicContact CZ-CG1 3.87Å; M156-I187 HydrophobicContact CE-CD1 3.49Å; M156-I187 VanDerWaalsContact CE-CD1 3.49Å; M156-I187 HydrophobicContact CE-CG1 4.12Å; M156-I187 HydrophobicContact SD-CD1 3.81Å; M156-I187 HydrophobicContact SD-CG1 3.98Å; V180-I187 HydrophobicContact CG1-CD1 3.89Å; E183-I187 PolarHBondContact O-N 2.84Å; E183-I187 VanDerWaalsContact O-N 3.08Å; L184-I187 PolarHBondContact O-N 2.87Å; I187-F202 HydrophobicContact CD1-CE2 4.26Å; I187-F202 HydrophobicContact CG2-CE2 4.36Å
188	A	91.1	Very high	90.8	Very high	5 Å²	5	67.7 Å²	67.7	4%	0.041	33%	0.326	C	S	.	.			trans	-147.5	140.3	165.5	0	0	0	0	0	112.4	L184 K185 H190 F191 Y205	L184-A188 PolarHBondContact O-N 3.45Å; K185-A188 CarbonylContact C-O 3.59Å; K185-A188 WeakPolarHBondContact CA-O 3.5Å; A188-H190 VanDerWaalsContact C-N 3.32Å; A188-H190 VanDerWaalsContact CB-CE1 3.5Å; A188-H190 WeakPolarHBondContact CB-CE1 3.21Å; A188-H190 PolarHBondContact O-N 2.89Å; A188-F191 HydrophobicContact CB-CD2 3.52Å; A188-F191 HydrophobicContact CB-CE2 3.52Å; A188-F191 HydrophobicContact CB-CG 4.28Å; A188-F191 HydrophobicContact CB-CZ 4.29Å; A188-Y205 HydrophobicContact CB-CD1 3.93Å; A188-Y205 HydrophobicContact CB-CD2 3.75Å; A188-Y205 HydrophobicContact CB-CE1 4.3Å; A188-Y205 HydrophobicContact CB-CE2 4.14Å; A188-Y205 HydrophobicContact CB-CG 3.66Å
189	K	90.9	Very high	90.9	Very high	196 Å²	196	63.9 Å²	63.9	85%	0.852	31%	0.307	S	S	*	.	S	Bend	trans	-74.6	-17.5	-170.4	-67	-178.9	179.8	177.3	0	114.7
190	H	88.9	Confident	91	Very high	78 Å²	78	62.8 Å²	62.8	36%	0.361	29%	0.29	S	S	.	.	S	Bend	trans	-92.6	-26.4	-175.8	62.6	-70.6	0	0	0	113.5	A188 E201 Y205	A188-H190 VanDerWaalsContact C-N 3.32Å; A188-H190 VanDerWaalsContact CB-CE1 3.5Å; A188-H190 WeakPolarHBondContact CB-CE1 3.21Å; A188-H190 PolarHBondContact O-N 2.89Å; H190-E201 IonicContact CD2-OE2 3.69Å; H190-E201 IonicContact CE1-OE1 2.98Å; H190-E201 IonicContact CE1-OE2 2.95Å; H190-E201 VanDerWaalsContact NE2-CD 3.32Å; H190-E201 IonicContact NE2-OE1 2.75Å; H190-E201 IonicContact NE2-OE2 3.65Å; H190-E201 PolarHBondContact NE2-OE2 3.46Å; H190-Y205 AromaticContact CE1-CE2 3.62Å
191	F	91	Very high	91.1	Very high	3 Å²	3	65.3 Å²	65.3	1%	0.013	30%	0.301	C	S	.	.			trans	-58.7	137.4	179.1	-67.9	-37.7	0	0	0	112.3	L184 A188 E197 E201 F202 Y205	L184-F191 HydrophobicContact CD1-CB 3.98Å; L184-F191 HydrophobicContact CD1-CD2 3.67Å; L184-F191 HydrophobicContact CD1-CG 4.15Å; L184-F191 HydrophobicContact CD2-CB 4.08Å; L184-F191 HydrophobicContact CG-CB 3.81Å; L184-F191 HydrophobicContact CG-CD2 4.36Å; A188-F191 HydrophobicContact CB-CD2 3.52Å; A188-F191 HydrophobicContact CB-CE2 3.52Å; A188-F191 HydrophobicContact CB-CG 4.28Å; A188-F191 HydrophobicContact CB-CZ 4.29Å; F191-E197 WeakPolarHBondContact CA-OE1 3.42Å; F191-E197 HydrophobicContact CD1-CB 4Å; F191-E197 HydrophobicContact CD1-CG 3.86Å; F191-E197 HydrophobicContact CE1-CB 4.14Å; F191-E201 HydrophobicContact CE1-CG 4.32Å; F191-E201 WeakPolarHBondContact CE1-OE2 3.21Å; F191-E201 HydrophobicContact CZ-CB 4.34Å; F191-E201 HydrophobicContact CZ-CG 4.01Å; F191-F202 HydrophobicContact CD2-CD2 4.24Å; F191-F202 HydrophobicContact CE2-CB 4.07Å; F191-F202 AromaticContact CE2-CD2 3.83Å; F191-F202 HydrophobicContact CE2-CD2 3.83Å; F191-F202 HydrophobicContact CE2-CG 4.45Å; F191-F202 HydrophobicContact CZ-CB 3.85Å; F191-F202 HydrophobicContact CZ-CD2 4.46Å; F191-Y205 HydrophobicContact CE2-CD2 4.18Å; F191-Y205 HydrophobicContact CZ-CD2 4.06Å
192	R	87.3	Confident	91.2	Very high	176 Å²	176	64.3 Å²	64.3	66%	0.664	30%	0.296	S	S	*	.			trans	-122.1	124.2	-177.8	-64.1	-179.6	-173.3	-138.6	1.1	110.6	G194 S195 E197	R192-G194 PolarHBondContact O-N 3.44Å; R192-S195 WeakPolarHBondContact CB-OG 3.28Å; R192-S195 WeakPolarHBondContact O-CB 3.21Å; R192-S195 PolarHBondContact O-N 3.19Å; R192-E197 PolarHBondContact N-OE1 2.89Å
193	Y	87.9	Confident	91.5	Very high	133 Å²	133	59.2 Å²	59.2	52%	0.522	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	135.8	169	-179.7	-111.6	0	0	0	110.9	M117 T120 L181 S195	M117-Y193 HydrophobicContact CB-CE2 4.06Å; M117-Y193 PolarHBondContact O-OH 2.78Å; T120-Y193 HydrophobicContact CG2-CE2 4.34Å; L181-Y193 HydrophobicContact CD1-CD2 3.76Å; L181-Y193 HydrophobicContact CD1-CE2 3.93Å; L181-Y193 HydrophobicContact CD2-CD2 4.28Å; L181-Y193 HydrophobicContact CD2-CE2 3.76Å; L181-Y193 HydrophobicContact CG-CD2 4.11Å; L181-Y193 HydrophobicContact CG-CE2 4.1Å; Y193-S195 VanDerWaalsContact C-N 3.26Å; Y193-S195 PolarHBondContact O-N 2.65Å
194	G	86.6	Confident	91.6	Very high	34 Å²	34	62.2 Å²	62.2	35%	0.351	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-5.3	-176.1	0	0	0	0	0	115.7	G118 N119 R192	G118-G194 WeakPolarHBondContact O-CA 3.02Å; N119-G194 PolarHBondContact ND2-O 3.01Å; R192-G194 PolarHBondContact O-N 3.44Å
195	S	88.4	Confident	91.9	Very high	42 Å²	42	64.9 Å²	64.9	29%	0.294	29%	0.289	S	S	.	.	S	Bend	trans	-93.1	153.6	176	-57	0	0	0	0	111.6	N119 R192 Y193	N119-S195 WeakPolarHBondContact CB-O 3.03Å; R192-S195 WeakPolarHBondContact CB-OG 3.28Å; R192-S195 WeakPolarHBondContact O-CB 3.21Å; R192-S195 PolarHBondContact O-N 3.19Å; Y193-S195 VanDerWaalsContact C-N 3.26Å; Y193-S195 PolarHBondContact O-N 2.65Å
196	Q	88.2	Confident	92.2	Very high	64 Å²	64	57.6 Å²	57.6	30%	0.299	26%	0.257	S	S	.	.			trans	-79.9	131	165.9	-63.8	-158.1	-8	0	0	108.9	N119 H368 G370	N119-Q196 HydrophobicContact CB-CG 3.88Å; N119-Q196 VanDerWaalsContact CG-CG 3.48Å; N119-Q196 VanDerWaalsContact OD1-CG 3.3Å; N119-Q196 WeakPolarHBondContact OD1-CG 3.38Å; N119-Q196 PolarHBondContact OD1-NE2 3.11Å; Q196-H368 PolarHBondContact OE1-O 3.35Å; Q196-G370 PolarHBondContact NE2-O 3.47Å; Q196-G370 VanDerWaalsContact NE2-O 3.16Å; Q196-G370 PolarHBondContact OE1-O 3.43Å
197	E	91.7	Very high	92.5	Very high	33 Å²	33	51.3 Å²	51.3	15%	0.154	23%	0.234	C	C	.	.			trans	-133.1	170.7	-175.9	-52.5	-76.6	-170.5	0	0	109.4	F122 F191 R192 Y372	F122-E197 HydrophobicContact CD1-CB 3.96Å; F122-E197 HydrophobicContact CD1-CG 4.43Å; F122-E197 HydrophobicContact CD2-CB 3.96Å; F122-E197 HydrophobicContact CE1-CB 3.77Å; F122-E197 HydrophobicContact CE1-CG 3.77Å; F122-E197 HydrophobicContact CE2-CB 3.78Å; F122-E197 HydrophobicContact CE2-CG 4.19Å; F122-E197 HydrophobicContact CG-CB 4.07Å; F122-E197 HydrophobicContact CZ-CB 3.68Å; F122-E197 HydrophobicContact CZ-CG 3.64Å; F191-E197 WeakPolarHBondContact CA-OE1 3.42Å; F191-E197 HydrophobicContact CD1-CB 4Å; F191-E197 HydrophobicContact CD1-CG 3.86Å; F191-E197 HydrophobicContact CE1-CB 4.14Å; R192-E197 PolarHBondContact N-OE1 2.89Å; E197-Y372 WeakPolarHBondContact O-CE2 3.32Å; E197-Y372 PolarHBondContact O-OH 2.87Å
198	D	92.2	Very high	92.6	Very high	42 Å²	42	53.3 Å²	53.3	23%	0.225	25%	0.245	C	C	.	.			trans	-83.4	125.6	179.3	-172.3	-50.7	0	0	0	111.8	H200 E201 F202 Y405	D198-H200 WeakPolarHBondContact OD1-CA 3.45Å; D198-H200 WeakPolarHBondContact OD1-CB 3.36Å; D198-H200 PolarHBondContact OD1-N 2.97Å; D198-E201 HydrophobicContact CB-CB 3.84Å; D198-E201 PolarHBondContact O-N 2.61Å; D198-E201 PolarHBondContact OD1-N 2.86Å; D198-F202 PolarHBondContact O-N 2.77Å; D198-Y405 VanDerWaalsContact CG-OH 3.28Å; D198-Y405 PolarHBondContact OD1-OH 2.99Å; D198-Y405 PolarHBondContact OD2-OH 3.35Å
199	A	94.5	Very high	92.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-69.9	-32	-178.7	0	0	0	0	0	113.9	F122 L203 L360 Y372 Y405	F122-A199 HydrophobicContact CB-CB 3.92Å; A199-L203 VanDerWaalsContact O-CB 3.22Å; A199-L203 WeakPolarHBondContact O-CB 3.48Å; A199-L203 PolarHBondContact O-N 2.8Å; A199-L360 HydrophobicContact CB-CD1 4.22Å; A199-L360 HydrophobicContact CB-CD2 3.89Å; A199-Y372 HydrophobicContact CB-CD1 3.58Å; A199-Y372 HydrophobicContact CB-CD2 4.47Å; A199-Y372 HydrophobicContact CB-CE1 3.46Å; A199-Y372 VanDerWaalsContact CB-CE1 3.46Å; A199-Y372 HydrophobicContact CB-CE2 4.37Å; A199-Y372 HydrophobicContact CB-CG 4.08Å; A199-Y405 HydrophobicContact CB-CE1 4.49Å
200	H	95	Very high	93.1	Very high	21 Å²	21	44.2 Å²	44.2	10%	0.097	21%	0.206	C	C	.	.	H	α-helix	trans	-72.3	-38.1	173.3	172.2	-135.9	0	0	0	110.2	D198 L203 R204 D259 T261 S316 Y405 V406	D198-H200 WeakPolarHBondContact OD1-CA 3.45Å; D198-H200 WeakPolarHBondContact OD1-CB 3.36Å; D198-H200 PolarHBondContact OD1-N 2.97Å; H200-L203 PolarHBondContact O-N 3.26Å; H200-R204 WeakPolarHBondContact O-CB 3.28Å; H200-R204 PolarHBondContact O-N 2.79Å; H200-D259 IonicContact CD2-OD2 3.49Å; H200-D259 IonicContact CE1-OD2 3.29Å; H200-D259 PolarHBondContact CE1-OD2 3.14Å; H200-D259 IonicContact NE2-OD2 3.69Å; H200-D259 PolarHBondContact NE2-OD2 2.58Å; H200-T261 PolarHBondContact CE1-OG1 2.96Å; H200-S316 WeakPolarHBondContact CE1-CB 3.39Å; H200-S316 PolarHBondContact CE1-OG 3.19Å; H200-S316 VanDerWaalsContact CE1-OG 3.26Å; H200-S316 PolarHBondContact ND1-OG 3.11Å; H200-S316 WeakPolarHBondContact NE2-CB 3.46Å; H200-Y405 HydrophobicContact CB-CE1 3.85Å; H200-Y405 WeakPolarHBondContact CB-OH 3.36Å; H200-V406 HydrophobicContact CB-CG2 3.89Å
201	E	94.8	Very high	93.4	Very high	54 Å²	54	41 Å²	41	25%	0.252	19%	0.191	S	C	.	.	H	α-helix	trans	-63.5	-47.2	174.2	-168.5	176.7	-134.2	0	0	111.6	H190 F191 D198 L203 R204 Y205	H190-E201 IonicContact CD2-OE2 3.69Å; H190-E201 IonicContact CE1-OE1 2.98Å; H190-E201 IonicContact CE1-OE2 2.95Å; H190-E201 VanDerWaalsContact NE2-CD 3.32Å; H190-E201 IonicContact NE2-OE1 2.75Å; H190-E201 IonicContact NE2-OE2 3.65Å; H190-E201 PolarHBondContact NE2-OE2 3.46Å; F191-E201 HydrophobicContact CE1-CG 4.32Å; F191-E201 WeakPolarHBondContact CE1-OE2 3.21Å; F191-E201 HydrophobicContact CZ-CB 4.34Å; F191-E201 HydrophobicContact CZ-CG 4.01Å; D198-E201 HydrophobicContact CB-CB 3.84Å; D198-E201 PolarHBondContact O-N 2.61Å; D198-E201 PolarHBondContact OD1-N 2.86Å; E201-L203 PolarHBondContact O-N 2.95Å; E201-R204 PolarHBondContact O-N 3.09Å; E201-Y205 HydrophobicContact CG-CD2 3.67Å; E201-Y205 HydrophobicContact CG-CE2 3.52Å; E201-Y205 VanDerWaalsContact O-CD2 3.3Å; E201-Y205 WeakPolarHBondContact O-CD2 3.32Å; E201-Y205 PolarHBondContact O-N 2.78Å
202	F	96.2	Very high	93.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.5	-40.9	177	172.6	-97.2	0	0	0	112.6	F122 L123 A126 L127 V180 L184 I187 F191 D198 T206	F122-F202 HydrophobicContact CD2-CB 3.7Å; F122-F202 HydrophobicContact CD2-CD1 4.46Å; F122-F202 AromaticContact CD2-CG 3.99Å; F122-F202 HydrophobicContact CD2-CG 3.99Å; F122-F202 HydrophobicContact CE2-CB 3.82Å; F122-F202 AromaticContact CE2-CD2 3.99Å; F122-F202 HydrophobicContact CE2-CD2 3.99Å; F122-F202 AromaticContact CE2-CG 3.85Å; F122-F202 HydrophobicContact CE2-CG 3.85Å; L123-F202 HydrophobicContact CB-CD1 4.23Å; L123-F202 HydrophobicContact CB-CE1 3.98Å; L123-F202 HydrophobicContact CB-CE2 4.49Å; L123-F202 HydrophobicContact CB-CZ 4.13Å; L123-F202 HydrophobicContact CD1-CE1 4.39Å; L123-F202 HydrophobicContact CD1-CE2 3.82Å; L123-F202 HydrophobicContact CD1-CZ 3.7Å; L123-F202 HydrophobicContact CG-CE1 3.83Å; L123-F202 HydrophobicContact CG-CE2 4.18Å; L123-F202 HydrophobicContact CG-CZ 3.62Å; A126-F202 HydrophobicContact CB-CD1 3.74Å; A126-F202 HydrophobicContact CB-CE1 4.08Å; L127-F202 HydrophobicContact CD2-CE1 4.5Å; L127-F202 HydrophobicContact CG-CE1 4.32Å; V180-F202 HydrophobicContact CG1-CE2 4.46Å; V180-F202 HydrophobicContact CG1-CZ 3.91Å; L184-F202 HydrophobicContact CD1-CD2 3.85Å; L184-F202 HydrophobicContact CD1-CE2 3.68Å; I187-F202 HydrophobicContact CD1-CE2 4.26Å; I187-F202 HydrophobicContact CG2-CE2 4.36Å; F191-F202 HydrophobicContact CD2-CD2 4.24Å; F191-F202 HydrophobicContact CE2-CB 4.07Å; F191-F202 AromaticContact CE2-CD2 3.83Å; F191-F202 HydrophobicContact CE2-CD2 3.83Å; F191-F202 HydrophobicContact CE2-CG 4.45Å; F191-F202 HydrophobicContact CZ-CB 3.85Å; F191-F202 HydrophobicContact CZ-CD2 4.46Å; D198-F202 PolarHBondContact O-N 2.77Å; F202-T206 WeakPolarHBondContact CZ-OG1 3.48Å; F202-T206 VanDerWaalsContact O-CB 3.24Å; F202-T206 WeakPolarHBondContact O-CB 3.4Å; F202-T206 PolarHBondContact O-N 3Å; F202-T206 PolarHBondContact O-OG1 3.08Å
203	L	97.2	Very high	93.7	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-57	-50.3	172.1	176.1	70.2	0	0	0	111	A126 L130 A199 H200 E201 Y205 T206 V207 T314 V406 F408	A126-L203 HydrophobicContact CB-CB 4.34Å; L130-L203 HydrophobicContact CD1-CD1 4Å; L130-L203 HydrophobicContact CD2-CD1 3.85Å; L130-L203 HydrophobicContact CG-CD1 3.85Å; A199-L203 VanDerWaalsContact O-CB 3.22Å; A199-L203 WeakPolarHBondContact O-CB 3.48Å; A199-L203 PolarHBondContact O-N 2.8Å; H200-L203 PolarHBondContact O-N 3.26Å; E201-L203 PolarHBondContact O-N 2.95Å; L203-Y205 PolarHBondContact O-N 2.86Å; L203-T206 WeakPolarHBondContact O-CB 3.45Å; L203-T206 PolarHBondContact O-N 3.33Å; L203-V207 HydrophobicContact CD1-CG2 4.26Å; L203-V207 WeakPolarHBondContact O-CG2 3.41Å; L203-V207 PolarHBondContact O-N 2.87Å; L203-T314 HydrophobicContact CD2-CG2 3.98Å; L203-V406 HydrophobicContact CD2-CG1 4.03Å; L203-F408 HydrophobicContact CD1-CE1 4.17Å; L203-F408 HydrophobicContact CD1-CZ 4.05Å; L203-F408 HydrophobicContact CD2-CE1 3.94Å; L203-F408 HydrophobicContact CD2-CZ 3.55Å; L203-F408 HydrophobicContact CG-CZ 4.46Å
204	R	96.3	Very high	93.9	Very high	110 Å²	110	34.4 Å²	34.4	42%	0.415	18%	0.176	S	C	.	.	H	α-helix	trans	-61.6	-46	-177.8	-171.6	178.9	63.2	102.8	5	112	H200 E201 T206 V207 D208	H200-R204 WeakPolarHBondContact O-CB 3.28Å; H200-R204 PolarHBondContact O-N 2.79Å; E201-R204 PolarHBondContact O-N 3.09Å; R204-T206 VanDerWaalsContact C-N 3.34Å; R204-V207 PolarHBondContact O-N 2.93Å; R204-D208 VanDerWaalsContact O-CB 3.24Å; R204-D208 WeakPolarHBondContact O-CB 3.3Å; R204-D208 PolarHBondContact O-N 2.78Å
205	Y	97.2	Very high	94.1	Very high	63 Å²	63	34.4 Å²	34.4	25%	0.247	17%	0.168	C	C	.	.	H	α-helix	trans	-67.1	-33.2	174.7	-78.5	-69.6	0	0	0	113.1	A188 H190 F191 E201 L203 A209	A188-Y205 HydrophobicContact CB-CD1 3.93Å; A188-Y205 HydrophobicContact CB-CD2 3.75Å; A188-Y205 HydrophobicContact CB-CE1 4.3Å; A188-Y205 HydrophobicContact CB-CE2 4.14Å; A188-Y205 HydrophobicContact CB-CG 3.66Å; H190-Y205 AromaticContact CE1-CE2 3.62Å; F191-Y205 HydrophobicContact CE2-CD2 4.18Å; F191-Y205 HydrophobicContact CZ-CD2 4.06Å; E201-Y205 HydrophobicContact CG-CD2 3.67Å; E201-Y205 HydrophobicContact CG-CE2 3.52Å; E201-Y205 VanDerWaalsContact O-CD2 3.3Å; E201-Y205 WeakPolarHBondContact O-CD2 3.32Å; E201-Y205 PolarHBondContact O-N 2.78Å; L203-Y205 PolarHBondContact O-N 2.86Å; Y205-A209 WeakPolarHBondContact O-CB 3.28Å; Y205-A209 PolarHBondContact O-N 2.96Å
206	T	97.3	Very high	93.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65	-46.4	174.4	-69.5	0	0	0	0	111.8	L130 M156 M160 F202 L203 R204 A209 M210	L130-T206 HydrophobicContact CD1-CG2 3.53Å; M156-T206 HydrophobicContact CE-CG2 3.59Å; M160-T206 HydrophobicContact SD-CG2 4.34Å; F202-T206 WeakPolarHBondContact CZ-OG1 3.48Å; F202-T206 VanDerWaalsContact O-CB 3.24Å; F202-T206 WeakPolarHBondContact O-CB 3.4Å; F202-T206 PolarHBondContact O-N 3Å; F202-T206 PolarHBondContact O-OG1 3.08Å; L203-T206 WeakPolarHBondContact O-CB 3.45Å; L203-T206 PolarHBondContact O-N 3.33Å; R204-T206 VanDerWaalsContact C-N 3.34Å; T206-A209 PolarHBondContact O-N 3.46Å; T206-M210 HydrophobicContact CG2-CE 4.28Å; T206-M210 WeakPolarHBondContact O-CG 3.5Å; T206-M210 PolarHBondContact O-N 2.88Å
207	V	97.3	Very high	92.8	Very high	10 Å²	10	36.4 Å²	36.4	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-70.1	-37.9	178.8	-178.2	0	0	0	0	111.3	L130 L203 R204 M210 Q211 I230 F234 L258	L130-V207 HydrophobicContact CD2-CG2 4.07Å; L203-V207 HydrophobicContact CD1-CG2 4.26Å; L203-V207 WeakPolarHBondContact O-CG2 3.41Å; L203-V207 PolarHBondContact O-N 2.87Å; R204-V207 PolarHBondContact O-N 2.93Å; V207-M210 HydrophobicContact CB-CE 4.33Å; V207-M210 HydrophobicContact CG2-CE 3.92Å; V207-M210 PolarHBondContact O-N 3.49Å; V207-Q211 VanDerWaalsContact O-CB 3.31Å; V207-Q211 WeakPolarHBondContact O-CB 3.34Å; V207-Q211 PolarHBondContact O-N 2.98Å; V207-I230 HydrophobicContact CG1-CG2 3.59Å; V207-F234 HydrophobicContact CG1-CD2 4.08Å; V207-L258 HydrophobicContact CG1-CB 4.44Å; V207-L258 HydrophobicContact CG1-CD1 4.2Å
208	D	95.4	Very high	92.3	Very high	50 Å²	50	39.4 Å²	39.4	27%	0.267	22%	0.222	S	C	.	.	H	α-helix	trans	-63.8	-38.7	171.8	171	53.8	0	0	0	112.8	R204 Q211 K212	R204-D208 VanDerWaalsContact O-CB 3.24Å; R204-D208 WeakPolarHBondContact O-CB 3.3Å; R204-D208 PolarHBondContact O-N 2.78Å; D208-Q211 WeakPolarHBondContact O-CB 3.35Å; D208-Q211 PolarHBondContact O-N 3.46Å; D208-K212 WeakPolarHBondContact O-CB 3.31Å; D208-K212 WeakPolarHBondContact O-CD 3.44Å; D208-K212 WeakPolarHBondContact O-CG 3.3Å; D208-K212 PolarHBondContact O-N 2.79Å; D208-K212 WeakPolarHBondContact OD1-CE 3.17Å; D208-K212 IonicContact OD1-NZ 2.72Å; D208-K212 PolarHBondContact OD1-NZ 3.49Å; D208-K212 IonicContact OD2-NZ 3.57Å; D208-K212 PolarHBondContact OD2-NZ 3.34Å
209	A	95.4	Very high	91.9	Very high	10 Å²	10	47.8 Å²	47.8	8%	0.083	26%	0.257	C	S	.	.	H	α-helix	trans	-68.9	-38.9	173.7	0	0	0	0	0	112.3	M156 Y205 T206 S213	M156-A209 HydrophobicContact CB-CB 3.81Å; M156-A209 HydrophobicContact CG-CB 3.86Å; Y205-A209 WeakPolarHBondContact O-CB 3.28Å; Y205-A209 PolarHBondContact O-N 2.96Å; T206-A209 PolarHBondContact O-N 3.46Å; A209-S213 WeakPolarHBondContact O-CB 3.21Å; A209-S213 PolarHBondContact O-N 3.28Å; A209-S213 PolarHBondContact O-OG 3.15Å
210	M	96.3	Very high	91.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-42.2	170.6	-75.2	-167.2	-65.4	0	0	111.7	L130 L136 M140 M156 M157 M160 T206 V207 S213 C214 I230	L130-M210 HydrophobicContact CD1-CE 4.32Å; L130-M210 HydrophobicContact CD2-CE 4.35Å; L136-M210 HydrophobicContact CD1-SD 4.31Å; L136-M210 HydrophobicContact CD2-CE 4.3Å; M140-M210 HydrophobicContact CE-SD 4.33Å; M156-M210 HydrophobicContact CB-CG 4.25Å; M156-M210 HydrophobicContact CG-CG 3.78Å; M157-M210 HydrophobicContact CG-CB 4.23Å; M157-M210 HydrophobicContact CG-CG 4.43Å; M157-M210 HydrophobicContact SD-CB 3.7Å; M157-M210 HydrophobicContact SD-CG 3.86Å; M157-M210 HydrophobicContact SD-SD 3.98Å; M160-M210 HydrophobicContact CB-SD 4.1Å; M160-M210 HydrophobicContact CG-CG 4.16Å; M160-M210 HydrophobicContact CG-SD 3.72Å; T206-M210 HydrophobicContact CG2-CE 4.28Å; T206-M210 WeakPolarHBondContact O-CG 3.5Å; T206-M210 PolarHBondContact O-N 2.88Å; V207-M210 HydrophobicContact CB-CE 4.33Å; V207-M210 HydrophobicContact CG2-CE 3.92Å; V207-M210 PolarHBondContact O-N 3.49Å; M210-S213 CarbonylContact O-C 3.59Å; M210-S213 WeakPolarHBondContact O-CB 3.12Å; M210-S213 PolarHBondContact O-N 3.13Å; M210-C214 PolarHBondContact O-N 2.89Å; M210-C214 PolarHBondContact O-SG 2.78Å; M210-I230 HydrophobicContact CB-CD1 3.79Å; M210-I230 HydrophobicContact CB-CG1 3.84Å; M210-I230 HydrophobicContact CE-CD1 4.04Å; M210-I230 HydrophobicContact SD-CD1 4.05Å
211	Q	94.8	Very high	91.1	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-57.7	-51	175.6	167.2	58.1	22.1	0	0	111.3	V207 D208 S213 C214 Q225 T228 I230 H231	V207-Q211 VanDerWaalsContact O-CB 3.31Å; V207-Q211 WeakPolarHBondContact O-CB 3.34Å; V207-Q211 PolarHBondContact O-N 2.98Å; D208-Q211 WeakPolarHBondContact O-CB 3.35Å; D208-Q211 PolarHBondContact O-N 3.46Å; Q211-S213 VanDerWaalsContact C-N 3.26Å; Q211-S213 PolarHBondContact O-N 3.35Å; Q211-C214 WeakPolarHBondContact O-CA 3.5Å; Q211-C214 WeakPolarHBondContact O-CB 2.97Å; Q211-C214 PolarHBondContact O-N 2.85Å; Q211-Q225 PolarHBondContact NE2-O 3.36Å; Q211-Q225 VanDerWaalsContact NE2-O 3.12Å; Q211-T228 PolarHBondContact NE2-OG1 3.33Å; Q211-T228 VanDerWaalsContact NE2-OG1 3.14Å; Q211-T228 PolarHBondContact OE1-OG1 2.76Å; Q211-I230 HydrophobicContact CB-CB 4.39Å; Q211-I230 HydrophobicContact CB-CG2 4.02Å; Q211-H231 PolarHBondContact NE2-CE1 3.31Å; Q211-H231 VanDerWaalsContact NE2-CE1 3.35Å; Q211-H231 PolarHBondContact NE2-ND1 3.19Å; Q211-H231 PolarHBondContact OE1-CE1 2.86Å; Q211-H231 PolarHBondContact OE1-ND1 3.33Å
212	K	92.8	Very high	90.8	Very high	124 Å²	124	52.9 Å²	52.9	54%	0.539	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-36.8	177.1	-75	160.7	177.8	159.5	0	112.2	D208 C214 L215	D208-K212 WeakPolarHBondContact O-CB 3.31Å; D208-K212 WeakPolarHBondContact O-CD 3.44Å; D208-K212 WeakPolarHBondContact O-CG 3.3Å; D208-K212 PolarHBondContact O-N 2.79Å; D208-K212 WeakPolarHBondContact OD1-CE 3.17Å; D208-K212 IonicContact OD1-NZ 2.72Å; D208-K212 PolarHBondContact OD1-NZ 3.49Å; D208-K212 IonicContact OD2-NZ 3.57Å; D208-K212 PolarHBondContact OD2-NZ 3.34Å; K212-C214 PolarHBondContact O-N 2.72Å; K212-L215 PolarHBondContact O-N 3.14Å; K212-L215 VanDerWaalsContact O-N 3.12Å
213	S	93.2	Very high	90.4	Very high	22 Å²	22	53.8 Å²	53.8	15%	0.154	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-8.7	173.9	-53.6	0	0	0	0	114.2	M156 A209 M210 Q211	M156-S213 PolarHBondContact N-OG 2.66Å; A209-S213 WeakPolarHBondContact O-CB 3.21Å; A209-S213 PolarHBondContact O-N 3.28Å; A209-S213 PolarHBondContact O-OG 3.15Å; M210-S213 CarbonylContact O-C 3.59Å; M210-S213 WeakPolarHBondContact O-CB 3.12Å; M210-S213 PolarHBondContact O-N 3.13Å; Q211-S213 VanDerWaalsContact C-N 3.26Å; Q211-S213 PolarHBondContact O-N 3.35Å
214	C	91.3	Very high	90	Very high	29 Å²	29	53.6 Å²	53.6	20%	0.196	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-2.1	173	-62.3	0	0	0	0	113.2	M210 Q211 K212 T228	M210-C214 PolarHBondContact O-N 2.89Å; M210-C214 PolarHBondContact O-SG 2.78Å; Q211-C214 WeakPolarHBondContact O-CA 3.5Å; Q211-C214 WeakPolarHBondContact O-CB 2.97Å; Q211-C214 PolarHBondContact O-N 2.85Å; K212-C214 PolarHBondContact O-N 2.72Å; C214-T228 HydrophobicContact CB-CG2 3.68Å
215	L	89.8	Confident	89.7	Confident	34 Å²	34	51.8 Å²	51.8	18%	0.178	28%	0.278	C	S	.	.	S	Bend	trans	-104.4	133	-179.9	-65.9	176.6	0	0	0	110.3	L94 K212 L220 Q225 T228	L94-L215 HydrophobicContact CD1-CD2 3.8Å; K212-L215 PolarHBondContact O-N 3.14Å; K212-L215 VanDerWaalsContact O-N 3.12Å; L215-L220 HydrophobicContact CD2-CD1 4.27Å; L215-Q225 HydrophobicContact CD1-CG 4.17Å; L215-Q225 HydrophobicContact CD2-CB 4.01Å; L215-Q225 HydrophobicContact CD2-CG 3.87Å; L215-T228 HydrophobicContact CD2-CG2 3.41Å; L215-T228 VanDerWaalsContact CD2-CG2 3.41Å; L215-T228 HydrophobicContact CG-CG2 4.06Å
216	P	78.3	Confident	89.3	Confident	59 Å²	59	49.4 Å²	49.4	38%	0.383	27%	0.271	S	S	.	.			trans	-64.2	149.7	164	30.8	-35	0	0	0	109.5	T218 L220	P216-T218 PolarHBondContact O-N 3.41Å; P216-L220 HydrophobicContact CG-CD1 3.66Å; P216-L220 HydrophobicContact CG-CG 4.39Å
217	G	72.4	Confident	89.1	Confident	88 Å²	88	50 Å²	50	91%	0.907	28%	0.275	S	S	*	.	S	Bend	trans	-66.1	12.8	-179.2	0	0	0	0	0	116.5
218	T	80.4	Confident	89	Confident	97 Å²	97	49.6 Å²	49.6	60%	0.595	27%	0.272	S	S	*	.	S	Bend	trans	-90	157.5	176.1	53.1	0	0	0	0	111.5	P216 L220	P216-T218 PolarHBondContact O-N 3.41Å; T218-L220 PolarHBondContact O-N 2.97Å; T218-L220 VanDerWaalsContact O-N 3.13Å
219	K	83.4	Confident	89	Confident	218 Å²	218	47.6 Å²	47.6	95%	0.948	26%	0.261	S	S	*	.			trans	-72.4	105.4	172.2	-70.3	-176	179.7	179.1	0	109.6
220	L	85.7	Confident	89	Confident	42 Å²	42	47.1 Å²	47.1	22%	0.22	26%	0.257	C	S	.	.			trans	-99.7	153.3	171.6	-63.7	173.7	0	0	0	110.6	L94 L215 P216 T218 T224 Q225	L94-L220 HydrophobicContact CD1-CD1 4.02Å; L215-L220 HydrophobicContact CD2-CD1 4.27Å; P216-L220 HydrophobicContact CG-CD1 3.66Å; P216-L220 HydrophobicContact CG-CG 4.39Å; T218-L220 PolarHBondContact O-N 2.97Å; T218-L220 VanDerWaalsContact O-N 3.13Å; L220-T224 HydrophobicContact CB-CG2 4.23Å; L220-T224 HydrophobicContact CD1-CG2 4.05Å; L220-T224 HydrophobicContact CD2-CG2 4.15Å; L220-T224 HydrophobicContact CG-CG2 4.38Å; L220-Q225 HydrophobicContact CB-CG 3.89Å; L220-Q225 PolarHBondContact O-NE2 3.22Å
221	D	88.8	Confident	89	Confident	35 Å²	35	48.1 Å²	48.1	19%	0.187	26%	0.262	C	S	.	.			trans	-64.8	158.7	170.4	65.9	-80.2	0	0	0	111.9	Q223 T224 Q225	D221-Q223 PolarHBondContact O-N 3.23Å; D221-Q223 WeakPolarHBondContact OD2-CB 3.45Å; D221-Q223 PolarHBondContact OD2-N 3.12Å; D221-T224 VanDerWaalsContact CG-OG1 3.23Å; D221-T224 PolarHBondContact O-N 3.13Å; D221-T224 WeakPolarHBondContact OD1-CB 2.81Å; D221-T224 PolarHBondContact OD1-OG1 3.07Å; D221-T224 WeakPolarHBondContact OD2-CB 3.36Å; D221-T224 PolarHBondContact OD2-N 3.07Å; D221-T224 PolarHBondContact OD2-OG1 3.23Å; D221-T224 VanDerWaalsContact OD2-OG1 3.13Å; D221-Q225 WeakPolarHBondContact O-CG 3.38Å; D221-Q225 PolarHBondContact O-N 2.89Å
222	R	86.6	Confident	89	Confident	104 Å²	104	49.2 Å²	49.2	39%	0.392	27%	0.267	S	S	.	.	H	α-helix	trans	-64.3	-31.9	-172.4	-174.7	174.3	67.4	142	8	112	A226 F254 D255 P256	R222-A226 PolarHBondContact O-N 3.15Å; R222-F254 PolarHBondContact NH1-O 3.23Å; R222-F254 PolarHBondContact NH2-O 3.4Å; R222-D255 IonicContact NH1-OD1 2.91Å; R222-D255 PolarHBondContact NH1-OD1 3.14Å; R222-P256 HydrophobicContact CG-CG 4.36Å
223	Q	88.3	Confident	89.2	Confident	19 Å²	19	43.3 Å²	43.3	9%	0.089	24%	0.242	C	C	.	.	H	α-helix	trans	-75.4	-47.2	-177.6	-67.4	84.9	-30.9	0	0	110.5	I87 E88 P90 D221 Q225 A226 T227	I87-Q223 HydrophobicContact CG2-CG 4.05Å; E88-Q223 PolarHBondContact OE2-NE2 2.84Å; P90-Q223 HydrophobicContact CB-CB 4.09Å; D221-Q223 PolarHBondContact O-N 3.23Å; D221-Q223 WeakPolarHBondContact OD2-CB 3.45Å; D221-Q223 PolarHBondContact OD2-N 3.12Å; Q223-Q225 VanDerWaalsContact C-N 3.33Å; Q223-Q225 PolarHBondContact O-N 2.85Å; Q223-A226 CarbonylContact O-C 3.57Å; Q223-A226 WeakPolarHBondContact O-CA 3.43Å; Q223-A226 WeakPolarHBondContact O-CB 3.25Å; Q223-A226 PolarHBondContact O-N 2.71Å; Q223-T227 PolarHBondContact O-N 3.03Å
224	T	90.2	Very high	89.4	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	24%	0.235	C	C	.	.	H	α-helix	trans	-56.7	-44.4	170.5	-66.8	0	0	0	0	111.2	Q91 K92 L94 L220 D221 A226 T227	Q91-T224 PolarHBondContact N-OG1 2.75Å; Q91-T224 VanDerWaalsContact N-OG1 3.13Å; K92-T224 HydrophobicContact CB-CG2 4.01Å; K92-T224 PolarHBondContact N-OG1 3.37Å; K92-T224 VanDerWaalsContact N-OG1 3.09Å; K92-T224 WeakPolarHBondContact O-CG2 3.44Å; K92-T224 PolarHBondContact O-OG1 3.3Å; L94-T224 HydrophobicContact CD1-CG2 4.13Å; L94-T224 WeakPolarHBondContact CD1-O 3.35Å; L94-T224 HydrophobicContact CD2-CG2 4.31Å; L94-T224 HydrophobicContact CG-CG2 4.02Å; L220-T224 HydrophobicContact CB-CG2 4.23Å; L220-T224 HydrophobicContact CD1-CG2 4.05Å; L220-T224 HydrophobicContact CD2-CG2 4.15Å; L220-T224 HydrophobicContact CG-CG2 4.38Å; D221-T224 VanDerWaalsContact CG-OG1 3.23Å; D221-T224 PolarHBondContact O-N 3.13Å; D221-T224 WeakPolarHBondContact OD1-CB 2.81Å; D221-T224 PolarHBondContact OD1-OG1 3.07Å; D221-T224 WeakPolarHBondContact OD2-CB 3.36Å; D221-T224 PolarHBondContact OD2-N 3.07Å; D221-T224 PolarHBondContact OD2-OG1 3.23Å; D221-T224 VanDerWaalsContact OD2-OG1 3.13Å; T224-A226 PolarHBondContact O-N 3.26Å; T224-T227 PolarHBondContact O-N 3.33Å; T224-T227 PolarHBondContact O-OG1 2.85Å
225	Q	89.2	Confident	89.6	Confident	73 Å²	73	41.8 Å²	41.8	34%	0.341	23%	0.234	S	C	.	.	H	α-helix	trans	-57.8	-34	175.4	-70.8	-179.5	48.1	0	0	112.5	Q211 L215 L220 D221 Q223 T227 T228	Q211-Q225 PolarHBondContact NE2-O 3.36Å; Q211-Q225 VanDerWaalsContact NE2-O 3.12Å; L215-Q225 HydrophobicContact CD1-CG 4.17Å; L215-Q225 HydrophobicContact CD2-CB 4.01Å; L215-Q225 HydrophobicContact CD2-CG 3.87Å; L220-Q225 HydrophobicContact CB-CG 3.89Å; L220-Q225 PolarHBondContact O-NE2 3.22Å; D221-Q225 WeakPolarHBondContact O-CG 3.38Å; D221-Q225 PolarHBondContact O-N 2.89Å; Q223-Q225 VanDerWaalsContact C-N 3.33Å; Q223-Q225 PolarHBondContact O-N 2.85Å; Q225-T227 VanDerWaalsContact C-N 3.28Å; Q225-T227 PolarHBondContact O-N 2.68Å; Q225-T228 WeakPolarHBondContact O-CG2 3.45Å; Q225-T228 PolarHBondContact O-OG1 3.17Å
226	A	89.2	Confident	89.9	Confident	13 Å²	13	40.2 Å²	40.2	11%	0.107	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	7.3	176.5	0	0	0	0	0	114.8	R222 Q223 T224 H231 Y237	R222-A226 PolarHBondContact O-N 3.15Å; Q223-A226 CarbonylContact O-C 3.57Å; Q223-A226 WeakPolarHBondContact O-CA 3.43Å; Q223-A226 WeakPolarHBondContact O-CB 3.25Å; Q223-A226 PolarHBondContact O-N 2.71Å; T224-A226 PolarHBondContact O-N 3.26Å; A226-H231 WeakPolarHBondContact O-CB 3.43Å; A226-Y237 HydrophobicContact CB-CE2 4.31Å; A226-Y237 VanDerWaalsContact CB-OH 3.25Å; A226-Y237 WeakPolarHBondContact CB-OH 3.45Å
227	T	92.5	Very high	90.7	Very high	12 Å²	12	38.2 Å²	38.2	7%	0.074	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	2.6	169.9	68.6	0	0	0	0	113.7	P90 K92 V93 L94 F95 Q223 T224 Q225	P90-T227 HydrophobicContact CB-CG2 3.63Å; P90-T227 HydrophobicContact CG-CG2 3.67Å; K92-T227 PolarHBondContact O-OG1 2.7Å; V93-T227 HydrophobicContact CG2-CG2 4.44Å; L94-T227 PolarHBondContact N-OG1 3.44Å; F95-T227 WeakPolarHBondContact CB-O 3.39Å; F95-T227 PolarHBondContact N-O 2.75Å; Q223-T227 PolarHBondContact O-N 3.03Å; T224-T227 PolarHBondContact O-N 3.33Å; T224-T227 PolarHBondContact O-OG1 2.85Å; Q225-T227 VanDerWaalsContact C-N 3.28Å; Q225-T227 PolarHBondContact O-N 2.68Å
228	T	94.8	Very high	91.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	18%	0.175	C	C	.	.	S	Bend	trans	-58.4	152.6	172.6	39.3	0	0	0	0	112.5	L94 Q211 C214 L215 Q225 I230 H231 Q232	L94-T228 HydrophobicContact CB-CG2 4.48Å; L94-T228 HydrophobicContact CD1-CG2 3.67Å; Q211-T228 PolarHBondContact NE2-OG1 3.33Å; Q211-T228 VanDerWaalsContact NE2-OG1 3.14Å; Q211-T228 PolarHBondContact OE1-OG1 2.76Å; C214-T228 HydrophobicContact CB-CG2 3.68Å; L215-T228 HydrophobicContact CD2-CG2 3.41Å; L215-T228 VanDerWaalsContact CD2-CG2 3.41Å; L215-T228 HydrophobicContact CG-CG2 4.06Å; Q225-T228 WeakPolarHBondContact O-CG2 3.45Å; Q225-T228 PolarHBondContact O-OG1 3.17Å; T228-I230 PolarHBondContact O-N 3.12Å; T228-I230 VanDerWaalsContact O-N 3.14Å; T228-H231 CarbonylContact O-C 3.42Å; T228-H231 PolarHBondContact O-N 2.86Å; T228-H231 PolarHBondContact OG1-ND1 3.06Å; T228-H231 VanDerWaalsContact OG1-ND1 3.13Å; T228-Q232 WeakPolarHBondContact O-CG 3.1Å; T228-Q232 PolarHBondContact O-N 2.89Å
229	F	95.5	Very high	92.6	Very high	8 Å²	8	33 Å²	33	4%	0.035	16%	0.155	C	C	.	.	H	α-helix	trans	-48.9	-43.1	176.6	173.7	-102.9	0	0	0	113.2	F95 L100 L136 F139 M157 H231 Q232 V233	F95-F229 HydrophobicContact CB-CB 4.14Å; F95-F229 HydrophobicContact CD1-CD2 4.09Å; F95-F229 HydrophobicContact CD2-CB 3.84Å; F95-F229 AromaticContact CD2-CD2 3.91Å; F95-F229 HydrophobicContact CD2-CD2 3.91Å; F95-F229 HydrophobicContact CD2-CG 4.32Å; F95-F229 AromaticContact CE1-CD2 3.85Å; F95-F229 HydrophobicContact CE1-CD2 3.85Å; F95-F229 HydrophobicContact CE1-CE2 4.45Å; F95-F229 HydrophobicContact CE2-CB 4.4Å; F95-F229 AromaticContact CE2-CD2 3.66Å; F95-F229 HydrophobicContact CE2-CD2 3.66Å; F95-F229 HydrophobicContact CE2-CE2 4.44Å; F95-F229 HydrophobicContact CE2-CG 4.4Å; F95-F229 HydrophobicContact CG-CB 3.92Å; F95-F229 HydrophobicContact CG-CD2 4.12Å; F95-F229 AromaticContact CZ-CD2 3.62Å; F95-F229 HydrophobicContact CZ-CD2 3.62Å; F95-F229 HydrophobicContact CZ-CE2 4.12Å; L100-F229 HydrophobicContact CD1-CD2 4.23Å; L100-F229 HydrophobicContact CD1-CE2 3.68Å; L136-F229 HydrophobicContact CD1-CE1 3.86Å; F139-F229 HydrophobicContact CB-CE1 4.19Å; F139-F229 HydrophobicContact CB-CE2 3.67Å; F139-F229 HydrophobicContact CB-CZ 3.41Å; F139-F229 VanDerWaalsContact CB-CZ 3.41Å; F139-F229 AromaticContact CD1-CD1 3.84Å; F139-F229 HydrophobicContact CD1-CD1 3.84Å; F139-F229 HydrophobicContact CD1-CD2 4.17Å; F139-F229 AromaticContact CD1-CE1 3.54Å; F139-F229 HydrophobicContact CD1-CE1 3.54Å; F139-F229 AromaticContact CD1-CE2 3.9Å; F139-F229 HydrophobicContact CD1-CE2 3.9Å; F139-F229 HydrophobicContact CD1-CG 4.14Å; F139-F229 AromaticContact CD1-CZ 3.58Å; F139-F229 HydrophobicContact CD1-CZ 3.58Å; F139-F229 HydrophobicContact CD2-CD2 4.5Å; F139-F229 HydrophobicContact CD2-CE2 4.23Å; F139-F229 HydrophobicContact CE1-CD1 4.06Å; F139-F229 HydrophobicContact CE1-CD2 4.45Å; F139-F229 HydrophobicContact CE1-CE1 4.24Å; F139-F229 HydrophobicContact CE1-CG 4.17Å; F139-F229 HydrophobicContact CG-CD2 4.19Å; F139-F229 HydrophobicContact CG-CE1 4.1Å; F139-F229 AromaticContact CG-CE2 3.67Å; F139-F229 HydrophobicContact CG-CE2 3.67Å; F139-F229 AromaticContact CG-CZ 3.62Å; F139-F229 HydrophobicContact CG-CZ 3.62Å; M157-F229 HydrophobicContact CE-CD1 3.68Å; M157-F229 HydrophobicContact CE-CE1 4.1Å; F229-H231 PolarHBondContact O-N 2.62Å; F229-Q232 PolarHBondContact O-N 2.77Å; F229-Q232 VanDerWaalsContact O-N 3.15Å; F229-V233 HydrophobicContact CD1-CG2 4.5Å; F229-V233 HydrophobicContact CD2-CG2 4.49Å; F229-V233 HydrophobicContact CE1-CG2 3.98Å; F229-V233 HydrophobicContact CE2-CG2 3.98Å; F229-V233 HydrophobicContact CZ-CG2 3.69Å; F229-V233 WeakPolarHBondContact O-CG2 3.44Å; F229-V233 PolarHBondContact O-N 2.97Å
230	I	96.6	Very high	93.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67	-35.8	-180	-66.6	-62.5	0	0	0	112.6	L136 M157 V207 M210 Q211 T228 V233 F234 L258	L136-I230 HydrophobicContact CD1-CD1 4.46Å; M157-I230 HydrophobicContact SD-CD1 3.84Å; M157-I230 HydrophobicContact SD-CG1 4.02Å; V207-I230 HydrophobicContact CG1-CG2 3.59Å; M210-I230 HydrophobicContact CB-CD1 3.79Å; M210-I230 HydrophobicContact CB-CG1 3.84Å; M210-I230 HydrophobicContact CE-CD1 4.04Å; M210-I230 HydrophobicContact SD-CD1 4.05Å; Q211-I230 HydrophobicContact CB-CB 4.39Å; Q211-I230 HydrophobicContact CB-CG2 4.02Å; T228-I230 PolarHBondContact O-N 3.12Å; T228-I230 VanDerWaalsContact O-N 3.14Å; I230-V233 PolarHBondContact O-N 2.66Å; I230-F234 HydrophobicContact CG2-CD2 4.31Å; I230-F234 PolarHBondContact O-N 3.13Å; I230-L258 HydrophobicContact CG2-CD2 4.19Å
231	H	95.1	Very high	93.7	Very high	22 Å²	22	26.1 Å²	26.1	10%	0.102	12%	0.122	C	C	.	.	H	α-helix	trans	-72.8	-32.7	169.3	-80	79.2	0	0	0	112.8	Q211 A226 T228 F229 V233 G235	Q211-H231 PolarHBondContact NE2-CE1 3.31Å; Q211-H231 VanDerWaalsContact NE2-CE1 3.35Å; Q211-H231 PolarHBondContact NE2-ND1 3.19Å; Q211-H231 PolarHBondContact OE1-CE1 2.86Å; Q211-H231 PolarHBondContact OE1-ND1 3.33Å; A226-H231 WeakPolarHBondContact O-CB 3.43Å; T228-H231 CarbonylContact O-C 3.42Å; T228-H231 PolarHBondContact O-N 2.86Å; T228-H231 PolarHBondContact OG1-ND1 3.06Å; T228-H231 VanDerWaalsContact OG1-ND1 3.13Å; F229-H231 PolarHBondContact O-N 2.62Å; H231-V233 PolarHBondContact O-N 2.72Å; H231-G235 WeakPolarHBondContact O-CA 3.33Å; H231-G235 PolarHBondContact O-N 3.04Å
232	Q	95.3	Very high	94.1	Very high	33 Å²	33	25.1 Å²	25.1	15%	0.154	12%	0.117	C	C	.	.	H	α-helix	trans	-65.6	-28.8	173.7	-60.5	-70.6	16.3	0	0	111.8	F95 L100 T228 F229 N311	F95-Q232 HydrophobicContact CB-CG 4.3Å; F95-Q232 HydrophobicContact CD1-CB 4.35Å; F95-Q232 HydrophobicContact CD1-CG 4.1Å; F95-Q232 PolarHBondContact O-NE2 3.21Å; L100-Q232 HydrophobicContact CD2-CB 4.23Å; L100-Q232 WeakPolarHBondContact CD2-O 3.25Å; T228-Q232 WeakPolarHBondContact O-CG 3.1Å; T228-Q232 PolarHBondContact O-N 2.89Å; F229-Q232 PolarHBondContact O-N 2.77Å; F229-Q232 VanDerWaalsContact O-N 3.15Å; Q232-N311 PolarHBondContact O-ND2 3.21Å
233	V	97	Very high	94.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-78.8	-69.1	170.9	179.7	0	0	0	0	111.6	L100 T133 P135 F229 I230 H231 N311 V312	L100-V233 HydrophobicContact CD1-CG2 3.88Å; T133-V233 HydrophobicContact CG2-CG1 4.23Å; P135-V233 HydrophobicContact CB-CG2 4.17Å; P135-V233 HydrophobicContact CG-CG1 3.99Å; P135-V233 HydrophobicContact CG-CG2 4.21Å; F229-V233 HydrophobicContact CD1-CG2 4.5Å; F229-V233 HydrophobicContact CD2-CG2 4.49Å; F229-V233 HydrophobicContact CE1-CG2 3.98Å; F229-V233 HydrophobicContact CE2-CG2 3.98Å; F229-V233 HydrophobicContact CZ-CG2 3.69Å; F229-V233 WeakPolarHBondContact O-CG2 3.44Å; F229-V233 PolarHBondContact O-N 2.97Å; I230-V233 PolarHBondContact O-N 2.66Å; H231-V233 PolarHBondContact O-N 2.72Å; V233-N311 PolarHBondContact O-N 3.21Å; V233-V312 HydrophobicContact CG1-CB 3.97Å; V233-V312 HydrophobicContact CG1-CG2 3.71Å; V233-V312 PolarHBondContact O-N 3.23Å
234	F	97.8	Very high	95	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-100.2	-11	-166.9	-59.4	-79.9	0	0	0	114.1	L130 T133 L136 V207 I230 L258 P310 V312	L130-F234 HydrophobicContact CD2-CE1 4.47Å; L130-F234 HydrophobicContact CD2-CE2 4.43Å; L130-F234 HydrophobicContact CD2-CZ 3.77Å; T133-F234 HydrophobicContact CG2-CE1 4.2Å; T133-F234 HydrophobicContact CG2-CZ 3.96Å; L136-F234 HydrophobicContact CD2-CE2 4.34Å; L136-F234 HydrophobicContact CD2-CZ 4.29Å; V207-F234 HydrophobicContact CG1-CD2 4.08Å; I230-F234 HydrophobicContact CG2-CD2 4.31Å; I230-F234 PolarHBondContact O-N 3.13Å; F234-L258 HydrophobicContact CB-CD2 4.07Å; F234-P310 WeakPolarHBondContact O-CB 3.38Å; F234-V312 HydrophobicContact CD1-CB 3.91Å; F234-V312 HydrophobicContact CD1-CG1 3.61Å; F234-V312 HydrophobicContact CE1-CB 4.15Å; F234-V312 HydrophobicContact CE1-CG1 3.54Å
235	G	95.8	Very high	95.3	Very high	17 Å²	17	26.5 Å²	26.5	18%	0.175	13%	0.128	C	C	.	.			trans	-77.5	127.3	-170.1	0	0	0	0	0	113.4	H231 F257 P310	H231-G235 WeakPolarHBondContact O-CA 3.33Å; H231-G235 PolarHBondContact O-N 3.04Å; G235-F257 VanDerWaalsContact CA-O 3.31Å; G235-F257 WeakPolarHBondContact CA-O 3.49Å; G235-P310 VanDerWaalsContact O-CA 3.3Å; G235-P310 WeakPolarHBondContact O-CA 3.14Å; G235-P310 WeakPolarHBondContact O-CB 3.23Å
236	G	95.3	Very high	95.5	Very high	2 Å²	2	27.8 Å²	27.8	2%	0.021	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	-179.6	166.6	0	0	0	0	0	110.9	P256 F257 R308	G236-P256 CarbonylContact O-C 3.48Å; G236-P256 VanDerWaalsContact O-CA 3.31Å; G236-P256 WeakPolarHBondContact O-CA 3.11Å; G236-F257 PolarHBondContact N-O 3.03Å; G236-F257 WeakPolarHBondContact O-CD1 3.22Å; G236-F257 PolarHBondContact O-N 2.78Å; G236-R308 VanDerWaalsContact CA-O 3.32Å; G236-R308 WeakPolarHBondContact CA-O 3.43Å
237	Y	95.8	Very high	95.8	Very high	17 Å²	17	29.9 Å²	29.9	7%	0.067	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	132.1	170.5	-76.1	-104.9	0	0	0	110.1	I87 A226 F254 D255 P256 F257 H307 R308	I87-Y237 HydrophobicContact CD1-CD1 3.48Å; I87-Y237 VanDerWaalsContact CD1-CD1 3.48Å; I87-Y237 HydrophobicContact CD1-CD2 4.29Å; I87-Y237 HydrophobicContact CD1-CE1 3.92Å; I87-Y237 HydrophobicContact CD1-CG 3.66Å; I87-Y237 HydrophobicContact CG1-CD1 4.46Å; I87-Y237 HydrophobicContact CG2-CE1 4.15Å; A226-Y237 HydrophobicContact CB-CE2 4.31Å; A226-Y237 VanDerWaalsContact CB-OH 3.25Å; A226-Y237 WeakPolarHBondContact CB-OH 3.45Å; Y237-F254 HydrophobicContact CD1-CB 4.39Å; Y237-D255 WeakPolarHBondContact CA-O 3.15Å; Y237-P256 HydrophobicContact CD1-CB 4.32Å; Y237-P256 HydrophobicContact CE1-CB 4.13Å; Y237-F257 VanDerWaalsContact N-CE1 3.35Å; Y237-H307 WeakPolarHBondContact O-CA 3.44Å; Y237-H307 WeakPolarHBondContact O-CB 3.24Å; Y237-H307 PolarHBondContact O-N 3.35Å; Y237-R308 HydrophobicContact CD2-CB 4.07Å; Y237-R308 HydrophobicContact CD2-CG 4.37Å; Y237-R308 PolarHBondContact N-O 3.42Å; Y237-R308 PolarHBondContact O-N 3.14Å
238	L	96.4	Very high	96	Very high	27 Å²	27	35.5 Å²	35.5	14%	0.141	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	148	163.1	-63.7	177.9	0	0	0	109.3	F254 D255 F257 I260 F277 T305 I306	L238-F254 CarbonylContact O-C 3.59Å; L238-F254 VanDerWaalsContact O-CA 3.3Å; L238-F254 WeakPolarHBondContact O-CA 3.36Å; L238-D255 PolarHBondContact N-O 3.12Å; L238-D255 PolarHBondContact O-N 3.31Å; L238-F257 HydrophobicContact CD2-CD1 4.05Å; L238-F257 HydrophobicContact CD2-CE1 3.91Å; L238-F257 HydrophobicContact CG-CD1 3.67Å; L238-F257 HydrophobicContact CG-CE1 4.04Å; L238-F257 HydrophobicContact CG-CG 4.41Å; L238-I260 HydrophobicContact CD2-CD1 4.46Å; L238-F277 HydrophobicContact CD1-CZ 3.93Å; L238-F277 HydrophobicContact CD2-CE1 3.89Å; L238-F277 HydrophobicContact CD2-CZ 3.85Å; L238-T305 CarbonylContact C-O 3.58Å; L238-T305 WeakPolarHBondContact CA-O 3.49Å; L238-I306 HydrophobicContact CD2-CG1 4.11Å
239	R	96.3	Very high	96	Very high	49 Å²	49	36.3 Å²	36.3	19%	0.185	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.6	163	177.5	-172.5	-159.9	134	15.5	108.3	R241 D252 T253 F254 F304 T305 H307	R239-R241 VanDerWaalsContact NH2-NH2 3.15Å; R239-D252 IonicContact CZ-OD1 3.48Å; R239-D252 IonicContact CZ-OD2 3.21Å; R239-D252 IonicContact NE-OD1 3.42Å; R239-D252 PolarHBondContact NE-OD1 2.99Å; R239-D252 IonicContact NE-OD2 3.68Å; R239-D252 PolarHBondContact NE-OD2 2.88Å; R239-D252 VanDerWaalsContact NH2-CG 3.33Å; R239-D252 IonicContact NH2-OD1 2.74Å; R239-D252 IonicContact NH2-OD2 3.67Å; R239-D252 PolarHBondContact NH2-OD2 2.88Å; R239-T253 CarbonylContact C-O 3.46Å; R239-T253 WeakPolarHBondContact CA-O 3.48Å; R239-F254 HydrophobicContact CB-CD1 3.92Å; R239-F254 HydrophobicContact CB-CE1 3.89Å; R239-F254 HydrophobicContact CG-CD1 4.13Å; R239-F254 HydrophobicContact CG-CE1 3.74Å; R239-F254 HydrophobicContact CG-CZ 4.43Å; R239-F304 CarbonylContact O-C 3.55Å; R239-F304 WeakPolarHBondContact O-CA 3.48Å; R239-T305 PolarHBondContact N-O 2.92Å; R239-T305 PolarHBondContact O-N 2.85Å; R239-T305 PolarHBondContact O-OG1 3.38Å; R239-H307 HydrophobicContact CB-CB 3.9Å
240	S	96.4	Very high	96	Very high	11 Å²	11	39.1 Å²	39.1	8%	0.077	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	108.4	166.7	170.7	0	0	0	0	108.2	D252 T253	S240-D252 WeakPolarHBondContact O-CA 3.39Å; S240-T253 WeakPolarHBondContact CB-OG1 3.36Å; S240-T253 PolarHBondContact N-O 2.85Å; S240-T253 PolarHBondContact O-N 2.8Å
241	R	95.9	Very high	95.9	Very high	103 Å²	103	40.9 Å²	40.9	39%	0.389	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	120.9	178.3	175.9	162.6	-83.7	-158.8	-17.9	109.7	R239 V250 D252 K302 R303	R239-R241 VanDerWaalsContact NH2-NH2 3.15Å; R241-V250 HydrophobicContact CG-CG1 3.78Å; R241-D252 VanDerWaalsContact CB-OD1 3.25Å; R241-D252 WeakPolarHBondContact CB-OD1 3.04Å; R241-D252 WeakPolarHBondContact CG-OD1 3.11Å; R241-D252 IonicContact CZ-OD1 3.44Å; R241-D252 IonicContact CZ-OD2 2.66Å; R241-D252 IonicContact NE-OD1 2.66Å; R241-D252 PolarHBondContact NE-OD1 2.9Å; R241-D252 IonicContact NE-OD2 2.77Å; R241-D252 PolarHBondContact NE-OD2 3Å; R241-D252 IonicContact NH2-OD1 3.95Å; R241-D252 IonicContact NH2-OD2 2.72Å; R241-D252 PolarHBondContact NH2-OD2 3.47Å; R241-K302 CarbonylContact O-C 3.5Å; R241-K302 VanDerWaalsContact O-CA 3.31Å; R241-K302 WeakPolarHBondContact O-CA 3.14Å; R241-R303 PolarHBondContact N-O 2.87Å; R241-R303 PolarHBondContact O-N 3.39Å
242	V	96.9	Very high	95.9	Very high	14 Å²	14	42 Å²	42	9%	0.085	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	118	172.6	-172	0	0	0	0	109.2	V250 S251 L283 Y289 A300 S301 K302	V242-V250 WeakPolarHBondContact O-CA 3.31Å; V242-S251 PolarHBondContact N-O 3.32Å; V242-S251 PolarHBondContact O-N 2.89Å; V242-L283 HydrophobicContact CG1-CD1 4.27Å; V242-Y289 HydrophobicContact CB-CE1 4.34Å; V242-Y289 HydrophobicContact CG1-CD1 3.45Å; V242-Y289 VanDerWaalsContact CG1-CD1 3.45Å; V242-Y289 HydrophobicContact CG1-CD2 3.91Å; V242-Y289 HydrophobicContact CG1-CE1 3.63Å; V242-Y289 HydrophobicContact CG1-CE2 4.11Å; V242-Y289 HydrophobicContact CG1-CG 3.58Å; V242-A300 HydrophobicContact CG1-CB 3.82Å; V242-S301 WeakPolarHBondContact CA-O 3.38Å; V242-K302 HydrophobicContact CG2-CB 4.24Å; V242-K302 HydrophobicContact CG2-CD 4.04Å; V242-K302 HydrophobicContact CG2-CG 4.07Å
243	K	96.8	Very high	95.9	Very high	95 Å²	95	43.6 Å²	43.6	41%	0.413	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.3	175.2	-176.8	173	-177	177.9	0	110.1	L245 S249 V250 A300 S301	K243-L245 PolarHBondContact O-N 2.72Å; K243-S249 CarbonylContact C-O 3.57Å; K243-S249 WeakPolarHBondContact CA-O 3.33Å; K243-V250 HydrophobicContact CB-CG2 4.31Å; K243-V250 HydrophobicContact CD-CG2 4.35Å; K243-V250 HydrophobicContact CG-CG2 4.07Å; K243-A300 CarbonylContact O-C 3.53Å; K243-A300 VanDerWaalsContact O-CA 3.25Å; K243-A300 WeakPolarHBondContact O-CA 3.34Å; K243-A300 WeakPolarHBondContact O-CB 3.27Å; K243-S301 PolarHBondContact N-O 2.94Å; K243-S301 PolarHBondContact O-N 3.15Å
244	C	96.7	Very high	95.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	128.7	169.1	170.6	0	0	0	0	110.3	N246 C247 K248 S249 C291 V298	C244-N246 VanDerWaalsContact C-N 3.35Å; C244-N246 PolarHBondContact SG-N 2.82Å; C244-C247 PolarHBondContact SG-N 3.34Å; C244-K248 WeakPolarHBondContact O-CA 3.23Å; C244-K248 PolarHBondContact O-N 3.09Å; C244-S249 WeakPolarHBondContact CB-OG 3.33Å; C244-S249 PolarHBondContact N-O 2.91Å; C244-C291 PolarHBondContact SG-SG 2.82Å; C244-V298 HydrophobicContact CB-CG2 4.09Å
245	L	95.4	Very high	95.5	Very high	59 Å²	59	47.6 Å²	47.6	31%	0.309	25%	0.248	S	C	.	.	S	Bend	trans	-82.8	-13.4	174.3	-57.3	-166.9	0	0	0	113	K243 K248 T299	K243-L245 PolarHBondContact O-N 2.72Å; L245-K248 PolarHBondContact O-NZ 3.14Å; L245-T299 WeakPolarHBondContact CB-O 3.49Å; L245-T299 HydrophobicContact CD1-CG2 3.73Å; L245-T299 HydrophobicContact CG-CG2 4.37Å; L245-T299 WeakPolarHBondContact CG-O 3.31Å; L245-T299 PolarHBondContact N-O 3.42Å
246	N	94.5	Very high	95.5	Very high	100 Å²	100	49 Å²	49	54%	0.535	25%	0.254	S	S	.	.	S	Bend	trans	-77.1	-89.9	173.6	-164.6	54.8	0	0	0	111	C244 K248 C294 V298	C244-N246 VanDerWaalsContact C-N 3.35Å; C244-N246 PolarHBondContact SG-N 2.82Å; N246-K248 WeakPolarHBondContact O-CD 3.4Å; N246-K248 WeakPolarHBondContact O-CE 3.44Å; N246-K248 PolarHBondContact O-N 3.04Å; N246-K248 VanDerWaalsContact O-N 3.14Å; N246-C294 PolarHBondContact ND2-SG 3.46Å; N246-V298 HydrophobicContact CB-CB 4.36Å; N246-V298 HydrophobicContact CB-CG1 3.83Å
247	C	95.6	Very high	95.4	Very high	56 Å²	56	49.8 Å²	49.8	38%	0.378	26%	0.257	S	S	.	.	S	Bend	trans	-75.7	6.5	-179.6	70.4	0	0	0	0	115.7	C244 S249 K293 C294	C244-C247 PolarHBondContact SG-N 3.34Å; C247-S249 PolarHBondContact O-N 3.06Å; C247-S249 PolarHBondContact SG-OG 3.34Å; C247-S249 VanDerWaalsContact SG-OG 3.36Å; C247-K293 PolarHBondContact SG-O 2.77Å; C247-C294 PolarHBondContact SG-SG 3.44Å
248	K	96.2	Very high	95.5	Very high	130 Å²	130	50.7 Å²	50.7	57%	0.565	26%	0.263	S	S	*	.			trans	62.7	5.3	178.3	-41.1	-53.3	176.8	-172.8	0	116	C244 L245 N246	C244-K248 WeakPolarHBondContact O-CA 3.23Å; C244-K248 PolarHBondContact O-N 3.09Å; L245-K248 PolarHBondContact O-NZ 3.14Å; N246-K248 WeakPolarHBondContact O-CD 3.4Å; N246-K248 WeakPolarHBondContact O-CE 3.44Å; N246-K248 PolarHBondContact O-N 3.04Å; N246-K248 VanDerWaalsContact O-N 3.14Å
249	S	95.5	Very high	95.5	Very high	18 Å²	18	51 Å²	51	13%	0.126	27%	0.265	C	S	.	.			trans	-56.4	150.6	176.7	68.3	0	0	0	0	112.5	K243 C244 C247	K243-S249 CarbonylContact C-O 3.57Å; K243-S249 WeakPolarHBondContact CA-O 3.33Å; C244-S249 WeakPolarHBondContact CB-OG 3.33Å; C244-S249 PolarHBondContact N-O 2.91Å; C247-S249 PolarHBondContact O-N 3.06Å; C247-S249 PolarHBondContact SG-OG 3.34Å; C247-S249 VanDerWaalsContact SG-OG 3.36Å
250	V	95.2	Very high	95.6	Very high	68 Å²	68	49 Å²	49	41%	0.412	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.5	-178.6	-178.8	0	0	0	0	109.2	R241 V242 K243	R241-V250 HydrophobicContact CG-CG1 3.78Å; V242-V250 WeakPolarHBondContact O-CA 3.31Å; K243-V250 HydrophobicContact CB-CG2 4.31Å; K243-V250 HydrophobicContact CD-CG2 4.35Å; K243-V250 HydrophobicContact CG-CG2 4.07Å
251	S	94.3	Very high	95.6	Very high	36 Å²	36	51.4 Å²	51.4	25%	0.252	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.3	166.3	-177	0	0	0	0	108.2	V242 Y289	V242-S251 PolarHBondContact N-O 3.32Å; V242-S251 PolarHBondContact O-N 2.89Å; S251-Y289 WeakPolarHBondContact CB-OH 3.38Å
252	D	94.9	Very high	95.6	Very high	47 Å²	47	46.5 Å²	46.5	25%	0.251	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.3	174.5	-76.4	-60.6	0	0	0	108.9	R239 S240 R241 F254	R239-D252 IonicContact CZ-OD1 3.48Å; R239-D252 IonicContact CZ-OD2 3.21Å; R239-D252 IonicContact NE-OD1 3.42Å; R239-D252 PolarHBondContact NE-OD1 2.99Å; R239-D252 IonicContact NE-OD2 3.68Å; R239-D252 PolarHBondContact NE-OD2 2.88Å; R239-D252 VanDerWaalsContact NH2-CG 3.33Å; R239-D252 IonicContact NH2-OD1 2.74Å; R239-D252 IonicContact NH2-OD2 3.67Å; R239-D252 PolarHBondContact NH2-OD2 2.88Å; S240-D252 WeakPolarHBondContact O-CA 3.39Å; R241-D252 VanDerWaalsContact CB-OD1 3.25Å; R241-D252 WeakPolarHBondContact CB-OD1 3.04Å; R241-D252 WeakPolarHBondContact CG-OD1 3.11Å; R241-D252 IonicContact CZ-OD1 3.44Å; R241-D252 IonicContact CZ-OD2 2.66Å; R241-D252 IonicContact NE-OD1 2.66Å; R241-D252 PolarHBondContact NE-OD1 2.9Å; R241-D252 IonicContact NE-OD2 2.77Å; R241-D252 PolarHBondContact NE-OD2 3Å; R241-D252 IonicContact NH2-OD1 3.95Å; R241-D252 IonicContact NH2-OD2 2.72Å; R241-D252 PolarHBondContact NH2-OD2 3.47Å; D252-F254 HydrophobicContact CB-CE2 4.49Å
253	T	94.4	Very high	95.5	Very high	65 Å²	65	49 Å²	49	40%	0.399	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.4	164	72	0	0	0	0	109.7	R239 S240 D255	R239-T253 CarbonylContact C-O 3.46Å; R239-T253 WeakPolarHBondContact CA-O 3.48Å; S240-T253 WeakPolarHBondContact CB-OG1 3.36Å; S240-T253 PolarHBondContact N-O 2.85Å; S240-T253 PolarHBondContact O-N 2.8Å; T253-D255 PolarHBondContact OG1-OD2 3.37Å
254	F	94.9	Very high	95.4	Very high	25 Å²	25	44.5 Å²	44.5	11%	0.11	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.2	176.6	-60.6	-79.6	0	0	0	109.3	D85 G86 I87 R222 Y237 L238 R239 D252 H307	D85-F254 WeakPolarHBondContact O-CZ 3.02Å; G86-F254 VanDerWaalsContact O-CE2 3.26Å; G86-F254 WeakPolarHBondContact O-CE2 3.41Å; I87-F254 HydrophobicContact CD1-CB 3.9Å; I87-F254 HydrophobicContact CD1-CD1 3.96Å; I87-F254 HydrophobicContact CD1-CG 3.97Å; I87-F254 HydrophobicContact CG1-CB 3.64Å; I87-F254 HydrophobicContact CG1-CD1 3.86Å; I87-F254 HydrophobicContact CG1-CD2 3.82Å; I87-F254 HydrophobicContact CG1-CE1 4.44Å; I87-F254 HydrophobicContact CG1-CE2 4.41Å; I87-F254 HydrophobicContact CG1-CG 3.5Å; R222-F254 PolarHBondContact NH1-O 3.23Å; R222-F254 PolarHBondContact NH2-O 3.4Å; Y237-F254 HydrophobicContact CD1-CB 4.39Å; L238-F254 CarbonylContact O-C 3.59Å; L238-F254 VanDerWaalsContact O-CA 3.3Å; L238-F254 WeakPolarHBondContact O-CA 3.36Å; R239-F254 HydrophobicContact CB-CD1 3.92Å; R239-F254 HydrophobicContact CB-CE1 3.89Å; R239-F254 HydrophobicContact CG-CD1 4.13Å; R239-F254 HydrophobicContact CG-CE1 3.74Å; R239-F254 HydrophobicContact CG-CZ 4.43Å; D252-F254 HydrophobicContact CB-CE2 4.49Å; F254-H307 HydrophobicContact CD1-CB 4.35Å; F254-H307 AromaticContact CD1-CD2 3.66Å; F254-H307 AromaticContact CD1-CG 3.83Å; F254-H307 HydrophobicContact CE1-CB 4.49Å; F254-H307 AromaticContact CE1-CD2 3.69Å; F254-H307 AromaticContact CE1-CE1 3.64Å; F254-H307 AromaticContact CE1-CG 3.69Å; F254-H307 AromaticContact CE1-ND1 3.68Å; F254-H307 AromaticContact CE1-NE2 3.67Å
255	D	93	Very high	95.1	Very high	61 Å²	61	50.4 Å²	50.4	33%	0.326	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121.3	-169.5	-66.1	-57.5	0	0	0	110.7	R222 Y237 L238 T253	R222-D255 IonicContact NH1-OD1 2.91Å; R222-D255 PolarHBondContact NH1-OD1 3.14Å; Y237-D255 WeakPolarHBondContact CA-O 3.15Å; L238-D255 PolarHBondContact N-O 3.12Å; L238-D255 PolarHBondContact O-N 3.31Å; T253-D255 PolarHBondContact OG1-OD2 3.37Å
256	P	94.1	Very high	95	Very high	46 Å²	46	52.5 Å²	52.5	30%	0.299	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	144.6	-177.8	29.6	-34.3	0	0	0	111.3	R222 G236 Y237	R222-P256 HydrophobicContact CG-CG 4.36Å; G236-P256 CarbonylContact O-C 3.48Å; G236-P256 VanDerWaalsContact O-CA 3.31Å; G236-P256 WeakPolarHBondContact O-CA 3.11Å; Y237-P256 HydrophobicContact CD1-CB 4.32Å; Y237-P256 HydrophobicContact CE1-CB 4.13Å
257	F	95.1	Very high	95	Very high	19 Å²	19	47.7 Å²	47.7	8%	0.083	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	155.9	178.2	72.8	-91.2	0	0	0	111.7	G235 G236 Y237 L238 I260 I306 P310 L313	G235-F257 VanDerWaalsContact CA-O 3.31Å; G235-F257 WeakPolarHBondContact CA-O 3.49Å; G236-F257 PolarHBondContact N-O 3.03Å; G236-F257 WeakPolarHBondContact O-CD1 3.22Å; G236-F257 PolarHBondContact O-N 2.78Å; Y237-F257 VanDerWaalsContact N-CE1 3.35Å; L238-F257 HydrophobicContact CD2-CD1 4.05Å; L238-F257 HydrophobicContact CD2-CE1 3.91Å; L238-F257 HydrophobicContact CG-CD1 3.67Å; L238-F257 HydrophobicContact CG-CE1 4.04Å; L238-F257 HydrophobicContact CG-CG 4.41Å; F257-I260 HydrophobicContact CD2-CD1 4.41Å; F257-I260 HydrophobicContact CD2-CG1 3.72Å; F257-I260 HydrophobicContact CE2-CD1 3.73Å; F257-I260 HydrophobicContact CE2-CG1 3.46Å; F257-I260 VanDerWaalsContact CE2-CG1 3.46Å; F257-I260 HydrophobicContact CG-CG1 4.48Å; F257-I260 HydrophobicContact CZ-CD1 3.78Å; F257-I260 HydrophobicContact CZ-CG1 4.01Å; F257-I306 HydrophobicContact CZ-CG2 4.43Å; F257-P310 HydrophobicContact CE2-CG 4.01Å; F257-P310 HydrophobicContact CZ-CG 4.1Å; F257-L313 HydrophobicContact CE2-CD1 4.44Å
258	L	96.5	Very high	95	Very high	36 Å²	36	48.8 Å²	48.8	19%	0.188	27%	0.266	C	S	.	.	S	Bend	trans	-117	-15.2	175.6	-64	165.6	0	0	0	112.4	V207 I230 F234	V207-L258 HydrophobicContact CG1-CB 4.44Å; V207-L258 HydrophobicContact CG1-CD1 4.2Å; I230-L258 HydrophobicContact CG2-CD2 4.19Å; F234-L258 HydrophobicContact CB-CD2 4.07Å
259	D	97.1	Very high	95	Very high	34 Å²	34	43.9 Å²	43.9	18%	0.182	25%	0.248	C	C	.	.			trans	-149.3	159.4	171.3	73.2	-76.2	0	0	0	110.3	H200 T314	H200-D259 IonicContact CD2-OD2 3.49Å; H200-D259 IonicContact CE1-OD2 3.29Å; H200-D259 PolarHBondContact CE1-OD2 3.14Å; H200-D259 IonicContact NE2-OD2 3.69Å; H200-D259 PolarHBondContact NE2-OD2 2.58Å; D259-T314 WeakPolarHBondContact CA-O 3.35Å; D259-T314 HydrophobicContact CB-CG2 3.95Å
260	I	97.4	Very high	95.1	Very high	5 Å²	5	43 Å²	43	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.9	169.8	-54.1	-179.2	0	0	0	108.7	L238 F257 L262 F277 I306 L313 T314 L315 S316	L238-I260 HydrophobicContact CD2-CD1 4.46Å; F257-I260 HydrophobicContact CD2-CD1 4.41Å; F257-I260 HydrophobicContact CD2-CG1 3.72Å; F257-I260 HydrophobicContact CE2-CD1 3.73Å; F257-I260 HydrophobicContact CE2-CG1 3.46Å; F257-I260 VanDerWaalsContact CE2-CG1 3.46Å; F257-I260 HydrophobicContact CG-CG1 4.48Å; F257-I260 HydrophobicContact CZ-CD1 3.78Å; F257-I260 HydrophobicContact CZ-CG1 4.01Å; I260-L262 HydrophobicContact CG2-CD2 3.8Å; I260-L262 HydrophobicContact CG2-CG 4.44Å; I260-F277 HydrophobicContact CG2-CD1 4.5Å; I260-F277 HydrophobicContact CG2-CD2 4.28Å; I260-F277 HydrophobicContact CG2-CE1 4.14Å; I260-F277 HydrophobicContact CG2-CE2 3.9Å; I260-F277 HydrophobicContact CG2-CZ 3.83Å; I260-I306 HydrophobicContact CD1-CD1 3.62Å; I260-I306 HydrophobicContact CD1-CG1 3.98Å; I260-L313 HydrophobicContact CD1-CD1 4.12Å; I260-T314 PolarHBondContact N-O 3.24Å; I260-L315 HydrophobicContact CB-CD2 3.9Å; I260-L315 HydrophobicContact CD1-CD2 4.47Å; I260-L315 HydrophobicContact CG1-CD2 4.49Å; I260-L315 WeakPolarHBondContact O-CA 3.41Å; I260-S316 PolarHBondContact O-N 3.03Å
261	T	96.6	Very high	95.2	Very high	62 Å²	62	41.9 Å²	41.9	38%	0.38	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.9	172.6	-62.3	0	0	0	0	110.4	H200 S316 K318	H200-T261 PolarHBondContact CE1-OG1 2.96Å; T261-S316 CarbonylContact C-O 3.57Å; T261-S316 WeakPolarHBondContact CA-O 3.45Å; T261-K318 HydrophobicContact CG2-CB 4Å; T261-K318 HydrophobicContact CG2-CD 4.21Å; T261-K318 HydrophobicContact CG2-CG 4.35Å
262	L	96.6	Very high	95.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.7	-175.9	-60.9	178.4	0	0	0	111.8	I260 V270 A273 L274 F277 L315 S316 L317 K318	I260-L262 HydrophobicContact CG2-CD2 3.8Å; I260-L262 HydrophobicContact CG2-CG 4.44Å; L262-V270 HydrophobicContact CD1-CG1 4.07Å; L262-A273 HydrophobicContact CB-CB 4.12Å; L262-A273 HydrophobicContact CD1-CB 4.22Å; L262-L274 HydrophobicContact CD1-CD2 4.24Å; L262-L274 HydrophobicContact CD1-CG 4.07Å; L262-L274 HydrophobicContact CD2-CD2 3.86Å; L262-L274 HydrophobicContact CD2-CG 4.28Å; L262-F277 HydrophobicContact CD2-CB 4.04Å; L262-F277 HydrophobicContact CD2-CD2 4.45Å; L262-F277 HydrophobicContact CD2-CG 4.21Å; L262-L315 HydrophobicContact CD1-CB 4.32Å; L262-L315 HydrophobicContact CD1-CD1 4.22Å; L262-L315 HydrophobicContact CD1-CD2 4.28Å; L262-S316 PolarHBondContact N-O 2.7Å; L262-L317 HydrophobicContact CB-CD2 4.14Å; L262-L317 HydrophobicContact CD1-CD2 4.05Å; L262-K318 WeakPolarHBondContact O-CB 3.34Å; L262-K318 PolarHBondContact O-N 3.4Å
263	E	94.3	Very high	95.5	Very high	67 Å²	67	42.2 Å²	42.2	31%	0.313	23%	0.232	S	C	.	.			trans	-80.7	119.1	173.8	-174	69.5	-122.6	0	0	109.6	K265 K318	E263-K265 WeakPolarHBondContact OE1-CG 3.33Å; E263-K265 IonicContact OE1-NZ 3.93Å; E263-K265 PolarHBondContact OE1-NZ 2.84Å; E263-K265 IonicContact OE2-NZ 3.68Å; E263-K318 WeakPolarHBondContact OE2-CD 3.45Å; E263-K318 WeakPolarHBondContact OE2-CE 3.33Å; E263-K318 IonicContact OE2-NZ 2.69Å; E263-K318 PolarHBondContact OE2-NZ 3.37Å
264	I	94.7	Very high	95.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.			trans	-113.7	2.1	-168	56.9	156.5	0	0	0	115	T266 A273 L317 R319 I328 K330 V332	I264-T266 PolarHBondContact O-N 3.12Å; I264-A273 HydrophobicContact CG2-CB 4.44Å; I264-L317 HydrophobicContact CD1-CB 4.37Å; I264-L317 HydrophobicContact CG2-CB 4.11Å; I264-L317 HydrophobicContact CG2-CD2 4.06Å; I264-L317 HydrophobicContact CG2-CG 4.48Å; I264-R319 HydrophobicContact CD1-CB 4.48Å; I264-R319 HydrophobicContact CD1-CG 3.55Å; I264-I328 HydrophobicContact CD1-CB 4.25Å; I264-I328 HydrophobicContact CD1-CD1 4.45Å; I264-I328 HydrophobicContact CD1-CG2 3.91Å; I264-I328 HydrophobicContact CG1-CD1 4.19Å; I264-I328 HydrophobicContact CG1-CG2 4.48Å; I264-K330 PolarHBondContact O-NZ 2.77Å; I264-V332 HydrophobicContact CB-CG2 4.18Å; I264-V332 HydrophobicContact CD1-CG2 4.1Å; I264-V332 HydrophobicContact CG2-CG1 4.36Å; I264-V332 HydrophobicContact CG2-CG2 4.49Å
265	K	91.4	Very high	95.7	Very high	124 Å²	124	42.5 Å²	42.5	54%	0.539	23%	0.229	S	C	.	.	S	Bend	trans	-51.2	-54.3	-175.9	-72.2	-178	-175	92.3	0	111.7	E263 I328 K330	E263-K265 WeakPolarHBondContact OE1-CG 3.33Å; E263-K265 IonicContact OE1-NZ 3.93Å; E263-K265 PolarHBondContact OE1-NZ 2.84Å; E263-K265 IonicContact OE2-NZ 3.68Å; K265-I328 HydrophobicContact CG-CD1 3.74Å; K265-K330 PolarHBondContact O-NZ 2.8Å
266	T	91.9	Very high	95.8	Very high	103 Å²	103	43.3 Å²	43.3	63%	0.632	23%	0.231	S	C	*	.	S	Bend	trans	-92.2	-41.3	-179.2	57.1	0	0	0	0	112.5	I264 Q276 K330	I264-T266 PolarHBondContact O-N 3.12Å; T266-Q276 PolarHBondContact OG1-NE2 2.83Å; T266-Q276 PolarHBondContact OG1-OE1 2.87Å; T266-K330 PolarHBondContact O-NZ 2.57Å
267	A	94.6	Very high	95.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.			trans	-55.9	128.1	-179.3	0	0	0	0	0	113.8	K272 A273 K330	A267-K272 HydrophobicContact CB-CB 4.31Å; A267-A273 HydrophobicContact CB-CB 3.75Å; A267-K330 PolarHBondContact O-NZ 3.1Å
268	P	95.4	Very high	96	Very high	78 Å²	78	42.9 Å²	42.9	51%	0.506	23%	0.226	S	C	.	.	S	Bend	trans	-87.6	-11.2	175.5	34.7	-36.2	0	0	0	113.6	K272 V332 K333	P268-K272 HydrophobicContact CG-CG 4.48Å; P268-V332 WeakPolarHBondContact O-CA 3.07Å; P268-K333 PolarHBondContact O-N 3.4Å
269	S	97.4	Very high	96	Very high	27 Å²	27	48.3 Å²	48.3	19%	0.189	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-147.4	160.7	-179.2	68	0	0	0	0	111.7	S271 K272 A273 K333	S269-S271 VanDerWaalsContact C-N 3.32Å; S269-S271 PolarHBondContact O-N 3.45Å; S269-K272 CarbonylContact O-C 3.21Å; S269-K272 PolarHBondContact O-N 2.86Å; S269-K272 VanDerWaalsContact O-N 3.15Å; S269-K272 PolarHBondContact OG-N 2.84Å; S269-A273 PolarHBondContact O-N 3.42Å; S269-K333 CarbonylContact C-O 3.57Å; S269-K333 WeakPolarHBondContact CA-O 3.35Å; S269-K333 VanDerWaalsContact CB-O 3.23Å; S269-K333 WeakPolarHBondContact CB-O 3.39Å
270	V	97.6	Very high	95.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-40.1	177.4	171.9	0	0	0	0	111.7	L262 K272 A273 L274 L315 L317 V332 K333 L338 L407	L262-V270 HydrophobicContact CD1-CG1 4.07Å; V270-K272 VanDerWaalsContact C-N 3.3Å; V270-K272 PolarHBondContact O-N 3.41Å; V270-A273 PolarHBondContact O-N 2.81Å; V270-A273 VanDerWaalsContact O-N 3.11Å; V270-L274 HydrophobicContact CG1-CD1 4Å; V270-L274 HydrophobicContact CG1-CG 4.5Å; V270-L274 WeakPolarHBondContact O-CG 3.38Å; V270-L274 PolarHBondContact O-N 2.87Å; V270-L315 HydrophobicContact CG1-CD1 3.67Å; V270-L317 HydrophobicContact CG2-CD1 4.3Å; V270-L317 HydrophobicContact CG2-CD2 4.13Å; V270-V332 HydrophobicContact CG2-CG1 4.33Å; V270-K333 PolarHBondContact N-O 3Å; V270-L338 HydrophobicContact CG1-CD2 4.46Å; V270-L407 HydrophobicContact CG2-CD1 3.63Å
271	S	96.8	Very high	95.8	Very high	45 Å²	45	53.7 Å²	53.7	32%	0.315	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-38.4	175.1	-41.9	0	0	0	0	111.9	S269 E275 F343	S269-S271 VanDerWaalsContact C-N 3.32Å; S269-S271 PolarHBondContact O-N 3.45Å; S271-E275 WeakPolarHBondContact O-CB 3.46Å; S271-E275 PolarHBondContact O-N 3.29Å; S271-F343 WeakPolarHBondContact O-CE1 3.08Å; S271-F343 WeakPolarHBondContact O-CZ 3.45Å
272	K	97.1	Very high	95.7	Very high	88 Å²	88	56.3 Å²	56.3	38%	0.383	29%	0.285	S	S	.	.	H	α-helix	trans	-74.9	-27.3	173.8	-73.2	-54.3	-167.3	-176.7	0	113.6	A267 P268 S269 V270 E275 Q276	A267-K272 HydrophobicContact CB-CB 4.31Å; P268-K272 HydrophobicContact CG-CG 4.48Å; S269-K272 CarbonylContact O-C 3.21Å; S269-K272 PolarHBondContact O-N 2.86Å; S269-K272 VanDerWaalsContact O-N 3.15Å; S269-K272 PolarHBondContact OG-N 2.84Å; V270-K272 VanDerWaalsContact C-N 3.3Å; V270-K272 PolarHBondContact O-N 3.41Å; K272-E275 HydrophobicContact CD-CB 4.45Å; K272-E275 VanDerWaalsContact CD-OE2 3.24Å; K272-E275 WeakPolarHBondContact CD-OE2 3.48Å; K272-E275 WeakPolarHBondContact CE-OE2 3.48Å; K272-E275 IonicContact NZ-OE1 2.85Å; K272-E275 PolarHBondContact NZ-OE1 3.02Å; K272-E275 IonicContact NZ-OE2 3.74Å; K272-E275 PolarHBondContact NZ-OE2 3.04Å; K272-Q276 VanDerWaalsContact O-CG 3.3Å; K272-Q276 WeakPolarHBondContact O-CG 3.31Å; K272-Q276 PolarHBondContact O-N 3.11Å
273	A	97.6	Very high	95.6	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-72	-36.5	172	0	0	0	0	0	111.7	L262 I264 A267 S269 V270 Q276 F277	L262-A273 HydrophobicContact CB-CB 4.12Å; L262-A273 HydrophobicContact CD1-CB 4.22Å; I264-A273 HydrophobicContact CG2-CB 4.44Å; A267-A273 HydrophobicContact CB-CB 3.75Å; S269-A273 PolarHBondContact O-N 3.42Å; V270-A273 PolarHBondContact O-N 2.81Å; V270-A273 VanDerWaalsContact O-N 3.11Å; A273-Q276 PolarHBondContact O-N 3.09Å; A273-F277 WeakPolarHBondContact O-CB 3.44Å; A273-F277 PolarHBondContact O-N 2.84Å
274	L	97.3	Very high	95.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.2	-40.9	170.9	-74.7	163.6	0	0	0	111.9	L262 V270 Q276 F277 V278 L315 L338 L340 F343	L262-L274 HydrophobicContact CD1-CD2 4.24Å; L262-L274 HydrophobicContact CD1-CG 4.07Å; L262-L274 HydrophobicContact CD2-CD2 3.86Å; L262-L274 HydrophobicContact CD2-CG 4.28Å; V270-L274 HydrophobicContact CG1-CD1 4Å; V270-L274 HydrophobicContact CG1-CG 4.5Å; V270-L274 WeakPolarHBondContact O-CG 3.38Å; V270-L274 PolarHBondContact O-N 2.87Å; L274-Q276 VanDerWaalsContact C-N 3.31Å; L274-Q276 PolarHBondContact O-N 2.9Å; L274-F277 WeakPolarHBondContact O-CB 3.36Å; L274-F277 PolarHBondContact O-N 2.83Å; L274-V278 WeakPolarHBondContact O-CG2 3.43Å; L274-V278 PolarHBondContact O-N 3.16Å; L274-L315 HydrophobicContact CD1-CD1 4.43Å; L274-L338 HydrophobicContact CD1-CD1 4.14Å; L274-L338 HydrophobicContact CD1-CD2 4.06Å; L274-L340 HydrophobicContact CD1-CD1 4.49Å; L274-F343 HydrophobicContact CB-CD1 3.7Å; L274-F343 HydrophobicContact CB-CD2 3.86Å; L274-F343 HydrophobicContact CB-CE1 3.7Å; L274-F343 HydrophobicContact CB-CE2 3.86Å; L274-F343 HydrophobicContact CB-CG 3.78Å; L274-F343 HydrophobicContact CB-CZ 3.78Å; L274-F343 HydrophobicContact CD1-CD2 3.97Å; L274-F343 HydrophobicContact CD1-CE2 3.89Å; L274-F343 HydrophobicContact CG-CD2 4.41Å
275	E	96.4	Very high	95.3	Very high	96 Å²	96	59.8 Å²	59.8	45%	0.449	32%	0.315	S	S	.	.	H	α-helix	trans	-59	-41.4	172.8	-171.6	178.5	119.5	0	0	112	S271 K272 K279 F343	S271-E275 WeakPolarHBondContact O-CB 3.46Å; S271-E275 PolarHBondContact O-N 3.29Å; K272-E275 HydrophobicContact CD-CB 4.45Å; K272-E275 VanDerWaalsContact CD-OE2 3.24Å; K272-E275 WeakPolarHBondContact CD-OE2 3.48Å; K272-E275 WeakPolarHBondContact CE-OE2 3.48Å; K272-E275 IonicContact NZ-OE1 2.85Å; K272-E275 PolarHBondContact NZ-OE1 3.02Å; K272-E275 IonicContact NZ-OE2 3.74Å; K272-E275 PolarHBondContact NZ-OE2 3.04Å; E275-K279 PolarHBondContact O-N 2.77Å; E275-K279 VanDerWaalsContact O-N 3.16Å; E275-F343 HydrophobicContact CB-CE1 4.04Å
276	Q	96.5	Very high	95.3	Very high	79 Å²	79	56.8 Å²	56.8	37%	0.369	30%	0.303	S	S	.	.	H	α-helix	trans	-68.1	-41.3	173.4	-73.5	177.5	0.1	0	0	112.3	T266 K272 A273 L274 V278 K279	T266-Q276 PolarHBondContact OG1-NE2 2.83Å; T266-Q276 PolarHBondContact OG1-OE1 2.87Å; K272-Q276 VanDerWaalsContact O-CG 3.3Å; K272-Q276 WeakPolarHBondContact O-CG 3.31Å; K272-Q276 PolarHBondContact O-N 3.11Å; A273-Q276 PolarHBondContact O-N 3.09Å; L274-Q276 VanDerWaalsContact C-N 3.31Å; L274-Q276 PolarHBondContact O-N 2.9Å; Q276-V278 VanDerWaalsContact C-N 3.3Å; Q276-V278 PolarHBondContact O-N 2.85Å; Q276-K279 VanDerWaalsContact O-CB 3.32Å; Q276-K279 WeakPolarHBondContact O-CB 3.49Å; Q276-K279 PolarHBondContact O-N 2.84Å
277	F	96.6	Very high	95.3	Very high	49 Å²	49	55.2 Å²	55.2	22%	0.215	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-35.1	176.9	174.4	-97.5	0	0	0	112.9	L238 I260 L262 A273 L274 F304	L238-F277 HydrophobicContact CD1-CZ 3.93Å; L238-F277 HydrophobicContact CD2-CE1 3.89Å; L238-F277 HydrophobicContact CD2-CZ 3.85Å; I260-F277 HydrophobicContact CG2-CD1 4.5Å; I260-F277 HydrophobicContact CG2-CD2 4.28Å; I260-F277 HydrophobicContact CG2-CE1 4.14Å; I260-F277 HydrophobicContact CG2-CE2 3.9Å; I260-F277 HydrophobicContact CG2-CZ 3.83Å; L262-F277 HydrophobicContact CD2-CB 4.04Å; L262-F277 HydrophobicContact CD2-CD2 4.45Å; L262-F277 HydrophobicContact CD2-CG 4.21Å; A273-F277 WeakPolarHBondContact O-CB 3.44Å; A273-F277 PolarHBondContact O-N 2.84Å; L274-F277 WeakPolarHBondContact O-CB 3.36Å; L274-F277 PolarHBondContact O-N 2.83Å; F277-F304 HydrophobicContact CE1-CB 4.35Å; F277-F304 HydrophobicContact CZ-CB 4.27Å
278	V	96.4	Very high	95.2	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.042	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	7.2	176.1	-51.3	0	0	0	0	114.5	L274 Q276 R303 F304 T305 F343	L274-V278 WeakPolarHBondContact O-CG2 3.43Å; L274-V278 PolarHBondContact O-N 3.16Å; Q276-V278 VanDerWaalsContact C-N 3.3Å; Q276-V278 PolarHBondContact O-N 2.85Å; V278-R303 WeakPolarHBondContact O-CG 3.48Å; V278-R303 PolarHBondContact O-NE 2.93Å; V278-R303 PolarHBondContact O-NH2 2.66Å; V278-F304 VanDerWaalsContact CA-O 3.29Å; V278-F304 WeakPolarHBondContact CA-O 3.46Å; V278-F304 WeakPolarHBondContact CB-O 3.48Å; V278-T305 HydrophobicContact CB-CG2 4.49Å; V278-F343 HydrophobicContact CG1-CB 3.93Å; V278-F343 WeakPolarHBondContact CG1-O 3.47Å; V278-F343 HydrophobicContact CG2-CD1 3.98Å
279	K	95.7	Very high	95.1	Very high	150 Å²	150	54 Å²	54	65%	0.652	28%	0.279	S	S	*	.	S	Bend	trans	-71	138.4	174.9	-170.6	-179.5	176.5	-176.2	0	109.2	E275 Q276 E281	E275-K279 PolarHBondContact O-N 2.77Å; E275-K279 VanDerWaalsContact O-N 3.16Å; Q276-K279 VanDerWaalsContact O-CB 3.32Å; Q276-K279 WeakPolarHBondContact O-CB 3.49Å; Q276-K279 PolarHBondContact O-N 2.84Å; K279-E281 PolarHBondContact O-N 2.84Å
280	P	95.6	Very high	95	Very high	67 Å²	67	57.5 Å²	57.5	44%	0.435	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-64	128.7	170	-16.3	28.8	0	0	0	111.1	S301 K302 R303	P280-S301 WeakPolarHBondContact CB-OG 3.37Å; P280-K302 CarbonylContact C-O 3.48Å; P280-K302 VanDerWaalsContact CA-O 3.28Å; P280-K302 WeakPolarHBondContact CA-O 3.18Å; P280-R303 HydrophobicContact CB-CB 4.34Å; P280-R303 HydrophobicContact CB-CG 4.47Å; P280-R303 HydrophobicContact CG-CB 4.49Å; P280-R303 HydrophobicContact CG-CG 4.17Å
281	E	94.7	Very high	94.9	Very high	84 Å²	84	57.5 Å²	57.5	39%	0.393	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	158.9	164.3	67.2	-168	172.4	0	0	109.7	K279 S301 K302	K279-E281 PolarHBondContact O-N 2.84Å; E281-S301 CarbonylContact O-C 3.55Å; E281-S301 VanDerWaalsContact O-CA 3.32Å; E281-S301 WeakPolarHBondContact O-CA 3.4Å; E281-S301 PolarHBondContact O-OG 3.38Å; E281-K302 HydrophobicContact CG-CB 3.86Å; E281-K302 HydrophobicContact CG-CG 4.29Å; E281-K302 PolarHBondContact N-O 2.77Å; E281-K302 PolarHBondContact O-N 2.71Å; E281-K302 WeakPolarHBondContact OE1-CD 3.16Å; E281-K302 WeakPolarHBondContact OE1-CE 3.34Å; E281-K302 WeakPolarHBondContact OE1-CG 3.49Å; E281-K302 IonicContact OE1-NZ 2.82Å; E281-K302 PolarHBondContact OE1-NZ 2.81Å
282	Q	95.1	Very high	94.8	Very high	118 Å²	118	57.2 Å²	57.2	55%	0.551	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	145.2	167.1	-66.7	-161.1	113.6	0	0	109.8	A300	Q282-A300 WeakPolarHBondContact CA-O 2.91Å
283	L	94.2	Very high	94.7	Very high	23 Å²	23	56.6 Å²	56.6	12%	0.12	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	95.7	178.7	-71.7	-172.1	0	0	0	106.6	V242 N287 T299 A300 K302	V242-L283 HydrophobicContact CG1-CD1 4.27Å; L283-N287 VanDerWaalsContact CB-O 3.28Å; L283-N287 WeakPolarHBondContact CB-O 3.44Å; L283-N287 HydrophobicContact CD2-CB 4.05Å; L283-T299 CarbonylContact O-C 3.51Å; L283-T299 VanDerWaalsContact O-CA 3.23Å; L283-T299 WeakPolarHBondContact O-CA 3.46Å; L283-A300 HydrophobicContact CB-CB 4.2Å; L283-A300 HydrophobicContact CD1-CB 4.42Å; L283-A300 PolarHBondContact N-O 3.35Å; L283-A300 PolarHBondContact O-N 3.35Å; L283-K302 HydrophobicContact CD1-CB 3.71Å; L283-K302 HydrophobicContact CD1-CD 3.9Å; L283-K302 HydrophobicContact CD1-CG 4.47Å; L283-K302 HydrophobicContact CD2-CB 4.47Å; L283-K302 HydrophobicContact CD2-CD 4.46Å; L283-K302 HydrophobicContact CG-CB 3.89Å
284	D	92.3	Very high	94.5	Very high	77 Å²	77	58 Å²	58	41%	0.412	29%	0.294	S	S	.	.			trans	-130.8	167.1	-176.5	47.4	17.4	0	0	0	111.8	E286 N287 A288 T299	D284-E286 PolarHBondContact O-N 3.26Å; D284-N287 WeakPolarHBondContact O-CA 3.45Å; D284-N287 WeakPolarHBondContact O-CB 3.31Å; D284-N287 PolarHBondContact O-N 3.4Å; D284-A288 PolarHBondContact O-N 2.99Å; D284-T299 HydrophobicContact CB-CG2 4.11Å
285	G	91.2	Very high	94.4	Very high	40 Å²	40	64.6 Å²	64.6	41%	0.412	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	53.9	-113.1	-179	0	0	0	0	0	112.6	A288	G285-A288 WeakPolarHBondContact O-CB 3.38Å; G285-A288 PolarHBondContact O-N 3.12Å
286	E	90.5	Very high	94.3	Very high	60 Å²	60	64.6 Å²	64.6	28%	0.28	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-66.6	-35.5	174	-66.9	164.5	-105.7	0	0	114.1	D284 S597 Q598 E599 Q1054	D284-E286 PolarHBondContact O-N 3.26Å; E286-S597 WeakPolarHBondContact OE1-CA 3.42Å; E286-S597 WeakPolarHBondContact OE1-CB 3.41Å; E286-S597 PolarHBondContact OE1-OG 3.26Å; E286-Q598 HydrophobicContact CG-CB 4.4Å; E286-Q598 HydrophobicContact CG-CG 4.29Å; E286-E599 VanDerWaalsContact CG-N 3.29Å; E286-Q1054 WeakPolarHBondContact OE2-CG 3.49Å
287	N	92.5	Very high	94.2	Very high	71 Å²	71	63.2 Å²	63.2	38%	0.38	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-83.3	-4.9	-179.3	-68.4	-43.6	0	0	0	112.2	L283 D284 Y289 Q1054	L283-N287 VanDerWaalsContact CB-O 3.28Å; L283-N287 WeakPolarHBondContact CB-O 3.44Å; L283-N287 HydrophobicContact CD2-CB 4.05Å; D284-N287 WeakPolarHBondContact O-CA 3.45Å; D284-N287 WeakPolarHBondContact O-CB 3.31Å; D284-N287 PolarHBondContact O-N 3.4Å; N287-Y289 PolarHBondContact O-N 2.91Å; N287-Q1054 PolarHBondContact ND2-OE1 3.4Å; N287-Q1054 PolarHBondContact OD1-NE2 3.33Å; N287-Q1054 PolarHBondContact OD1-OE1 3.2Å
288	A	92.1	Very high	94.2	Very high	12 Å²	12	61.2 Å²	61.2	10%	0.099	31%	0.307	C	S	.	.			trans	-46.6	137.1	-179.6	0	0	0	0	0	111.1	D284 G285 M297	D284-A288 PolarHBondContact O-N 2.99Å; G285-A288 WeakPolarHBondContact O-CB 3.38Å; G285-A288 PolarHBondContact O-N 3.12Å; A288-M297 HydrophobicContact CB-CB 4.12Å; A288-M297 HydrophobicContact CB-CG 3.61Å; A288-M297 WeakPolarHBondContact O-CE 3.31Å; A288-M297 WeakPolarHBondContact O-CG 3.37Å
289	Y	93.5	Very high	94.2	Very high	41 Å²	41	64 Å²	64	16%	0.161	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132.3	-171.3	168.1	-124.1	0	0	0	111	V242 S251 N287 C291 M297 V298 A300	V242-Y289 HydrophobicContact CB-CE1 4.34Å; V242-Y289 HydrophobicContact CG1-CD1 3.45Å; V242-Y289 VanDerWaalsContact CG1-CD1 3.45Å; V242-Y289 HydrophobicContact CG1-CD2 3.91Å; V242-Y289 HydrophobicContact CG1-CE1 3.63Å; V242-Y289 HydrophobicContact CG1-CE2 4.11Å; V242-Y289 HydrophobicContact CG1-CG 3.58Å; S251-Y289 WeakPolarHBondContact CB-OH 3.38Å; N287-Y289 PolarHBondContact O-N 2.91Å; Y289-C291 HydrophobicContact CD1-CB 4.34Å; Y289-C291 HydrophobicContact CE1-CB 4.42Å; Y289-C291 PolarHBondContact O-N 2.84Å; Y289-M297 CarbonylContact O-C 3.6Å; Y289-M297 VanDerWaalsContact O-CA 3.32Å; Y289-M297 WeakPolarHBondContact O-CA 3.17Å; Y289-V298 HydrophobicContact CD1-CG2 4.2Å; Y289-V298 PolarHBondContact N-O 3.49Å; Y289-V298 PolarHBondContact O-N 3.17Å; Y289-A300 VanDerWaalsContact CB-CB 3.5Å; Y289-A300 HydrophobicContact CD1-CB 3.93Å; Y289-A300 HydrophobicContact CG-CB 4.1Å
290	K	94.9	Very high	94.2	Very high	99 Å²	99	56.9 Å²	56.9	43%	0.43	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	81.3	168.9	-164	172.7	-171.6	-168.1	0	110	T292 M297 S601 E602 E603	K290-T292 PolarHBondContact O-N 3.05Å; K290-M297 WeakPolarHBondContact CA-SD 3.26Å; K290-M297 HydrophobicContact CB-CE 4.27Å; K290-M297 HydrophobicContact CB-SD 3.65Å; K290-M297 HydrophobicContact CG-SD 4.13Å; K290-M297 PolarHBondContact N-SD 3.33Å; K290-M297 VanDerWaalsContact N-SD 3.44Å; K290-S601 WeakPolarHBondContact CD-O 3.43Å; K290-S601 WeakPolarHBondContact CE-O 3.5Å; K290-E602 WeakPolarHBondContact CE-O 3.47Å; K290-E602 PolarHBondContact NZ-O 3.1Å; K290-E603 WeakPolarHBondContact CE-O 3.25Å; K290-E603 VanDerWaalsContact CG-N 3.3Å; K290-E603 PolarHBondContact NZ-O 3.48Å
291	C	95.5	Very high	94.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	135.5	-175.3	-177.9	0	0	0	0	110.1	C244 Y289 K293 C294 K296 V298 E603	C244-C291 PolarHBondContact SG-SG 2.82Å; Y289-C291 HydrophobicContact CD1-CB 4.34Å; Y289-C291 HydrophobicContact CE1-CB 4.42Å; Y289-C291 PolarHBondContact O-N 2.84Å; C291-K293 VanDerWaalsContact C-N 3.29Å; C291-K293 PolarHBondContact O-N 3.39Å; C291-K293 PolarHBondContact SG-N 3.45Å; C291-C294 HydrophobicContact CB-CB 4.12Å; C291-K296 VanDerWaalsContact CB-O 3.3Å; C291-K296 WeakPolarHBondContact CB-O 3.25Å; C291-K296 PolarHBondContact N-O 3.43Å; C291-V298 HydrophobicContact CB-CB 4.36Å; C291-V298 HydrophobicContact CB-CG1 3.73Å; C291-V298 HydrophobicContact CB-CG2 3.69Å; C291-E603 VanDerWaalsContact O-CA 3.25Å; C291-E603 WeakPolarHBondContact O-CA 3.49Å; C291-E603 VanDerWaalsContact O-CB 3.28Å; C291-E603 WeakPolarHBondContact O-CB 3.35Å; C291-E603 WeakPolarHBondContact O-CG 3.48Å; C291-E603 PolarHBondContact O-N 2.96Å
292	T	94.4	Very high	94.4	Very high	39 Å²	39	53.3 Å²	53.3	24%	0.239	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-5.2	176.4	64.6	0	0	0	0	114.4	K290 E603 S604 D605	K290-T292 PolarHBondContact O-N 3.05Å; T292-E603 VanDerWaalsContact O-CD 3.32Å; T292-E603 WeakPolarHBondContact O-CG 3.5Å; T292-S604 WeakPolarHBondContact CG2-OG 3.24Å; T292-D605 WeakPolarHBondContact O-CA 3.38Å; T292-D605 WeakPolarHBondContact O-CB 3.47Å
293	K	95.4	Very high	94.4	Very high	76 Å²	76	52.3 Å²	52.3	33%	0.33	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.7	35.7	-175.5	-60.5	-154.1	162.2	-59.4	0	115.2	C247 C291 E603 D605	C247-K293 PolarHBondContact SG-O 2.77Å; C291-K293 VanDerWaalsContact C-N 3.29Å; C291-K293 PolarHBondContact O-N 3.39Å; C291-K293 PolarHBondContact SG-N 3.45Å; K293-E603 WeakPolarHBondContact CA-OE2 3.46Å; K293-D605 IonicContact NZ-OD1 2.81Å; K293-D605 PolarHBondContact NZ-OD1 2.91Å; K293-D605 IonicContact NZ-OD2 2.71Å; K293-D605 PolarHBondContact NZ-OD2 3.29Å
294	C	93.8	Very high	94.5	Very high	30 Å²	30	54.2 Å²	54.2	20%	0.203	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.1	-7.1	178.9	-76.8	0	0	0	0	115.8	N246 C247 C291 K296 V298 E603	N246-C294 PolarHBondContact ND2-SG 3.46Å; C247-C294 PolarHBondContact SG-SG 3.44Å; C291-C294 HydrophobicContact CB-CB 4.12Å; C294-K296 HydrophobicContact CB-CB 3.39Å; C294-K296 PolarHBondContact O-N 2.93Å; C294-V298 HydrophobicContact CB-CG1 4.22Å; C294-E603 PolarHBondContact N-OE2 3.4Å
295	K	94.9	Very high	94.7	Very high	138 Å²	138	50.8 Å²	50.8	60%	0.6	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.7	48.6	-159	-69.6	-175	166.5	63.5	0	109.8	E602 E603	K295-E602 VanDerWaalsContact C-CB 3.49Å; K295-E602 WeakPolarHBondContact O-CB 3.31Å; K295-E602 WeakPolarHBondContact O-CG 3.5Å; K295-E603 VanDerWaalsContact CA-CB 3.43Å; K295-E603 HydrophobicContact CB-CB 4.28Å; K295-E603 WeakPolarHBondContact CE-OE1 3.4Å; K295-E603 HydrophobicContact CG-CB 3.87Å; K295-E603 HydrophobicContact CG-CG 4.22Å; K295-E603 WeakPolarHBondContact CG-OE1 3.33Å; K295-E603 VanDerWaalsContact N-CD 3.31Å; K295-E603 PolarHBondContact N-OE2 2.9Å; K295-E603 IonicContact NZ-OE1 3.16Å; K295-E603 PolarHBondContact NZ-OE1 3.12Å
296	K	94.1	Very high	95	Very high	97 Å²	97	48.9 Å²	48.9	42%	0.422	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	139	-167.7	-152.6	93.3	70.5	-175	0	116.1	C291 C294 V298 E602	C291-K296 VanDerWaalsContact CB-O 3.3Å; C291-K296 WeakPolarHBondContact CB-O 3.25Å; C291-K296 PolarHBondContact N-O 3.43Å; C294-K296 HydrophobicContact CB-CB 3.39Å; C294-K296 PolarHBondContact O-N 2.93Å; K296-V298 HydrophobicContact CB-CG1 3.81Å; K296-V298 HydrophobicContact CG-CG1 3.96Å; K296-E602 WeakPolarHBondContact CA-OE1 3.17Å; K296-E602 WeakPolarHBondContact CA-OE2 3.24Å; K296-E602 WeakPolarHBondContact CD-OE2 3.39Å
297	M	95.8	Very high	95.2	Very high	49 Å²	49	47.2 Å²	47.2	24%	0.241	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	118.6	149.6	-126.3	63.6	161.2	0	0	107.5	A288 Y289 K290 S600 S601 E602	A288-M297 HydrophobicContact CB-CB 4.12Å; A288-M297 HydrophobicContact CB-CG 3.61Å; A288-M297 WeakPolarHBondContact O-CE 3.31Å; A288-M297 WeakPolarHBondContact O-CG 3.37Å; Y289-M297 CarbonylContact O-C 3.6Å; Y289-M297 VanDerWaalsContact O-CA 3.32Å; Y289-M297 WeakPolarHBondContact O-CA 3.17Å; K290-M297 WeakPolarHBondContact CA-SD 3.26Å; K290-M297 HydrophobicContact CB-CE 4.27Å; K290-M297 HydrophobicContact CB-SD 3.65Å; K290-M297 HydrophobicContact CG-SD 4.13Å; K290-M297 PolarHBondContact N-SD 3.33Å; K290-M297 VanDerWaalsContact N-SD 3.44Å; M297-S600 VanDerWaalsContact CE-C 3.49Å; M297-S600 VanDerWaalsContact CE-O 3.28Å; M297-S600 WeakPolarHBondContact CE-O 3.35Å; M297-S601 WeakPolarHBondContact SD-CA 3.42Å; M297-S601 PolarHBondContact SD-N 3.22Å; M297-E602 PolarHBondContact N-OE1 2.94Å
298	V	94.8	Very high	95.3	Very high	8 Å²	8	47.5 Å²	47.5	5%	0.048	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	153.3	-179.9	-59.1	0	0	0	0	109.4	C244 N246 Y289 C291 C294 K296 A300	C244-V298 HydrophobicContact CB-CG2 4.09Å; N246-V298 HydrophobicContact CB-CB 4.36Å; N246-V298 HydrophobicContact CB-CG1 3.83Å; Y289-V298 HydrophobicContact CD1-CG2 4.2Å; Y289-V298 PolarHBondContact N-O 3.49Å; Y289-V298 PolarHBondContact O-N 3.17Å; C291-V298 HydrophobicContact CB-CB 4.36Å; C291-V298 HydrophobicContact CB-CG1 3.73Å; C291-V298 HydrophobicContact CB-CG2 3.69Å; C294-V298 HydrophobicContact CB-CG1 4.22Å; K296-V298 HydrophobicContact CB-CG1 3.81Å; K296-V298 HydrophobicContact CG-CG1 3.96Å; V298-A300 HydrophobicContact CG2-CB 4.21Å; V298-A300 PolarHBondContact O-N 3.43Å
299	T	96.4	Very high	95.4	Very high	65 Å²	65	47.9 Å²	47.9	40%	0.399	22%	0.224	S	C	.	.			trans	-57.7	126.2	152.1	-50.4	0	0	0	0	108	L245 L283 D284	L245-T299 WeakPolarHBondContact CB-O 3.49Å; L245-T299 HydrophobicContact CD1-CG2 3.73Å; L245-T299 HydrophobicContact CG-CG2 4.37Å; L245-T299 WeakPolarHBondContact CG-O 3.31Å; L245-T299 PolarHBondContact N-O 3.42Å; L283-T299 CarbonylContact O-C 3.51Å; L283-T299 VanDerWaalsContact O-CA 3.23Å; L283-T299 WeakPolarHBondContact O-CA 3.46Å; D284-T299 HydrophobicContact CB-CG2 4.11Å
300	A	96.9	Very high	95.6	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	158.6	174.9	0	0	0	0	0	110.5	V242 K243 Q282 L283 Y289 V298	V242-A300 HydrophobicContact CG1-CB 3.82Å; K243-A300 CarbonylContact O-C 3.53Å; K243-A300 VanDerWaalsContact O-CA 3.25Å; K243-A300 WeakPolarHBondContact O-CA 3.34Å; K243-A300 WeakPolarHBondContact O-CB 3.27Å; Q282-A300 WeakPolarHBondContact CA-O 2.91Å; L283-A300 HydrophobicContact CB-CB 4.2Å; L283-A300 HydrophobicContact CD1-CB 4.42Å; L283-A300 PolarHBondContact N-O 3.35Å; L283-A300 PolarHBondContact O-N 3.35Å; Y289-A300 VanDerWaalsContact CB-CB 3.5Å; Y289-A300 HydrophobicContact CD1-CB 3.93Å; Y289-A300 HydrophobicContact CG-CB 4.1Å; V298-A300 HydrophobicContact CG2-CB 4.21Å; V298-A300 PolarHBondContact O-N 3.43Å
301	S	96.9	Very high	95.7	Very high	31 Å²	31	42.9 Å²	42.9	22%	0.217	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125.6	163	-176.6	0	0	0	0	109.1	V242 K243 P280 E281	V242-S301 WeakPolarHBondContact CA-O 3.38Å; K243-S301 PolarHBondContact N-O 2.94Å; K243-S301 PolarHBondContact O-N 3.15Å; P280-S301 WeakPolarHBondContact CB-OG 3.37Å; E281-S301 CarbonylContact O-C 3.55Å; E281-S301 VanDerWaalsContact O-CA 3.32Å; E281-S301 WeakPolarHBondContact O-CA 3.4Å; E281-S301 PolarHBondContact O-OG 3.38Å
302	K	96.3	Very high	95.8	Very high	46 Å²	46	42.9 Å²	42.9	20%	0.2	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142	175.8	173.1	164.9	161.4	-99.2	0	109.3	R241 V242 P280 E281 L283	R241-K302 CarbonylContact O-C 3.5Å; R241-K302 VanDerWaalsContact O-CA 3.31Å; R241-K302 WeakPolarHBondContact O-CA 3.14Å; V242-K302 HydrophobicContact CG2-CB 4.24Å; V242-K302 HydrophobicContact CG2-CD 4.04Å; V242-K302 HydrophobicContact CG2-CG 4.07Å; P280-K302 CarbonylContact C-O 3.48Å; P280-K302 VanDerWaalsContact CA-O 3.28Å; P280-K302 WeakPolarHBondContact CA-O 3.18Å; E281-K302 HydrophobicContact CG-CB 3.86Å; E281-K302 HydrophobicContact CG-CG 4.29Å; E281-K302 PolarHBondContact N-O 2.77Å; E281-K302 PolarHBondContact O-N 2.71Å; E281-K302 WeakPolarHBondContact OE1-CD 3.16Å; E281-K302 WeakPolarHBondContact OE1-CE 3.34Å; E281-K302 WeakPolarHBondContact OE1-CG 3.49Å; E281-K302 IonicContact OE1-NZ 2.82Å; E281-K302 PolarHBondContact OE1-NZ 2.81Å; L283-K302 HydrophobicContact CD1-CB 3.71Å; L283-K302 HydrophobicContact CD1-CD 3.9Å; L283-K302 HydrophobicContact CD1-CG 4.47Å; L283-K302 HydrophobicContact CD2-CB 4.47Å; L283-K302 HydrophobicContact CD2-CD 4.46Å; L283-K302 HydrophobicContact CG-CB 3.89Å
303	R	96.1	Very high	96	Very high	97 Å²	97	41 Å²	41	37%	0.366	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	128.5	-178.2	-169.7	-169.3	-176.4	-167.4	-5.8	110.4	R241 V278 P280 T305	R241-R303 PolarHBondContact N-O 2.87Å; R241-R303 PolarHBondContact O-N 3.39Å; V278-R303 WeakPolarHBondContact O-CG 3.48Å; V278-R303 PolarHBondContact O-NE 2.93Å; V278-R303 PolarHBondContact O-NH2 2.66Å; P280-R303 HydrophobicContact CB-CB 4.34Å; P280-R303 HydrophobicContact CB-CG 4.47Å; P280-R303 HydrophobicContact CG-CB 4.49Å; P280-R303 HydrophobicContact CG-CG 4.17Å; R303-T305 HydrophobicContact CG-CG2 4.3Å
304	F	96.2	Very high	96.1	Very high	62 Å²	62	37.8 Å²	37.8	27%	0.272	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	144.6	164.9	-64.8	-81.7	0	0	0	110.5	R239 F277 V278	R239-F304 CarbonylContact O-C 3.55Å; R239-F304 WeakPolarHBondContact O-CA 3.48Å; F277-F304 HydrophobicContact CE1-CB 4.35Å; F277-F304 HydrophobicContact CZ-CB 4.27Å; V278-F304 VanDerWaalsContact CA-O 3.29Å; V278-F304 WeakPolarHBondContact CA-O 3.46Å; V278-F304 WeakPolarHBondContact CB-O 3.48Å
305	T	96.9	Very high	96.3	Very high	6 Å²	6	36.3 Å²	36.3	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.2	171.3	49.7	0	0	0	0	109.8	L238 R239 V278 R303 H307 S345	L238-T305 CarbonylContact C-O 3.58Å; L238-T305 WeakPolarHBondContact CA-O 3.49Å; R239-T305 PolarHBondContact N-O 2.92Å; R239-T305 PolarHBondContact O-N 2.85Å; R239-T305 PolarHBondContact O-OG1 3.38Å; V278-T305 HydrophobicContact CB-CG2 4.49Å; R303-T305 HydrophobicContact CG-CG2 4.3Å; T305-H307 PolarHBondContact O-N 2.86Å; T305-S345 PolarHBondContact OG1-OG 3.31Å
306	I	96.6	Very high	96.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	114.3	176.1	-60.1	172.8	0	0	0	108.6	L238 F257 I260 L340 F343 M344 S345	L238-I306 HydrophobicContact CD2-CG1 4.11Å; F257-I306 HydrophobicContact CZ-CG2 4.43Å; I260-I306 HydrophobicContact CD1-CD1 3.62Å; I260-I306 HydrophobicContact CD1-CG1 3.98Å; I306-L340 HydrophobicContact CD1-CD1 3.66Å; I306-L340 HydrophobicContact CD1-CD2 4.04Å; I306-L340 HydrophobicContact CD1-CG 3.94Å; I306-L340 HydrophobicContact CG2-CD2 4.24Å; I306-F343 HydrophobicContact CD1-CB 4.49Å; I306-F343 PolarHBondContact N-O 3.36Å; I306-M344 HydrophobicContact CB-CG 4.15Å; I306-M344 HydrophobicContact CG2-CG 4.3Å; I306-M344 CarbonylContact O-C 3.54Å; I306-M344 WeakPolarHBondContact O-CA 3.43Å; I306-M344 VanDerWaalsContact O-CB 3.26Å; I306-M344 WeakPolarHBondContact O-CB 3.49Å; I306-M344 WeakPolarHBondContact O-CG 3.48Å; I306-S345 PolarHBondContact O-N 2.93Å
307	H	95.8	Very high	96.5	Very high	25 Å²	25	25.2 Å²	25.2	12%	0.116	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-60.5	-173.2	179.9	66.1	0	0	0	111.9	D85 I87 Y237 R239 F254 T305 M344 S345	D85-H307 WeakPolarHBondContact CB-NE2 3.43Å; D85-H307 PolarHBondContact O-CE1 3.19Å; D85-H307 PolarHBondContact O-NE2 3.35Å; D85-H307 IonicContact OD2-NE2 3.75Å; I87-H307 WeakPolarHBondContact CD1-CD2 3.34Å; Y237-H307 WeakPolarHBondContact O-CA 3.44Å; Y237-H307 WeakPolarHBondContact O-CB 3.24Å; Y237-H307 PolarHBondContact O-N 3.35Å; R239-H307 HydrophobicContact CB-CB 3.9Å; F254-H307 HydrophobicContact CD1-CB 4.35Å; F254-H307 AromaticContact CD1-CD2 3.66Å; F254-H307 AromaticContact CD1-CG 3.83Å; F254-H307 HydrophobicContact CE1-CB 4.49Å; F254-H307 AromaticContact CE1-CD2 3.69Å; F254-H307 AromaticContact CE1-CE1 3.64Å; F254-H307 AromaticContact CE1-CG 3.69Å; F254-H307 AromaticContact CE1-ND1 3.68Å; F254-H307 AromaticContact CE1-NE2 3.67Å; T305-H307 PolarHBondContact O-N 2.86Å; H307-M344 WeakPolarHBondContact O-CE 3.4Å; H307-S345 WeakPolarHBondContact CA-OG 3.41Å; H307-S345 WeakPolarHBondContact CB-OG 3.48Å
308	R	94.1	Very high	96.4	Very high	77 Å²	77	26.8 Å²	26.8	29%	0.291	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.9	167.2	-66.5	176	178.6	171.5	-0.4	108.4	D85 G236 Y237	D85-R308 VanDerWaalsContact CG-NH2 3.25Å; D85-R308 IonicContact OD1-CZ 3.54Å; D85-R308 IonicContact OD1-NH2 3.89Å; D85-R308 PolarHBondContact OD1-NH2 3.28Å; D85-R308 IonicContact OD2-CZ 2.85Å; D85-R308 IonicContact OD2-NE 2.76Å; D85-R308 PolarHBondContact OD2-NE 2.97Å; D85-R308 IonicContact OD2-NH2 3.67Å; D85-R308 PolarHBondContact OD2-NH2 2.71Å; G236-R308 VanDerWaalsContact CA-O 3.32Å; G236-R308 WeakPolarHBondContact CA-O 3.43Å; Y237-R308 HydrophobicContact CD2-CB 4.07Å; Y237-R308 HydrophobicContact CD2-CG 4.37Å; Y237-R308 PolarHBondContact N-O 3.42Å; Y237-R308 PolarHBondContact O-N 3.14Å
309	S	94.8	Very high	96.3	Very high	19 Å²	19	26.5 Å²	26.5	13%	0.133	13%	0.126	C	C	.	.			trans	-89.1	129.7	-174.5	62.6	0	0	0	0	111.7	Q352 Y354 K411	S309-Q352 PolarHBondContact OG-OE1 3.43Å; S309-Y354 WeakPolarHBondContact CB-OH 3.23Å; S309-K411 PolarHBondContact O-NZ 2.75Å; S309-K411 WeakPolarHBondContact OG-CE 3.28Å; S309-K411 PolarHBondContact OG-NZ 3.05Å
310	P	96.3	Very high	95.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	11%	0.111	C	C	.	.			trans	-71.1	153.7	-176	31.6	-37.7	0	0	0	111.3	F234 G235 F257 V312 L313 Y354 K411	F234-P310 WeakPolarHBondContact O-CB 3.38Å; G235-P310 VanDerWaalsContact O-CA 3.3Å; G235-P310 WeakPolarHBondContact O-CA 3.14Å; G235-P310 WeakPolarHBondContact O-CB 3.23Å; F257-P310 HydrophobicContact CE2-CG 4.01Å; F257-P310 HydrophobicContact CZ-CG 4.1Å; P310-V312 WeakPolarHBondContact CB-O 3.36Å; P310-L313 HydrophobicContact CG-CB 3.99Å; P310-L313 HydrophobicContact CG-CD1 3.7Å; P310-L313 HydrophobicContact CG-CG 4.48Å; P310-Y354 VanDerWaalsContact O-CE1 3.28Å; P310-Y354 WeakPolarHBondContact O-CE1 3.09Å; P310-Y354 PolarHBondContact O-OH 3.39Å; P310-K411 WeakPolarHBondContact O-CE 3.39Å
311	N	96.9	Very high	94.5	Very high	35 Å²	35	25.8 Å²	25.8	19%	0.187	12%	0.123	C	C	.	.	S	Bend	trans	-73.5	-33.7	179.5	-67.6	-37.2	0	0	0	112.3	L100 L102 Q232 V233 K411	L100-N311 HydrophobicContact CD2-CB 4.37Å; L102-N311 HydrophobicContact CD1-CB 4.32Å; L102-N311 HydrophobicContact CD2-CB 3.76Å; Q232-N311 PolarHBondContact O-ND2 3.21Å; V233-N311 PolarHBondContact O-N 3.21Å; N311-K411 PolarHBondContact O-N 3.35Å; N311-K411 PolarHBondContact OD1-NZ 3.16Å
312	V	98	Very high	92.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	114.4	165.6	176.2	0	0	0	0	108.4	T133 P135 V233 F234 P310 Y357 Y409 I410	T133-V312 HydrophobicContact CG2-CG1 4.24Å; T133-V312 HydrophobicContact CG2-CG2 3.94Å; P135-V312 HydrophobicContact CG-CG2 4Å; V233-V312 HydrophobicContact CG1-CB 3.97Å; V233-V312 HydrophobicContact CG1-CG2 3.71Å; V233-V312 PolarHBondContact O-N 3.23Å; F234-V312 HydrophobicContact CD1-CB 3.91Å; F234-V312 HydrophobicContact CD1-CG1 3.61Å; F234-V312 HydrophobicContact CE1-CB 4.15Å; F234-V312 HydrophobicContact CE1-CG1 3.54Å; P310-V312 WeakPolarHBondContact CB-O 3.36Å; V312-Y357 HydrophobicContact CG1-CE1 4Å; V312-Y357 VanDerWaalsContact CG1-OH 3.23Å; V312-Y357 WeakPolarHBondContact CG1-OH 3.49Å; V312-Y409 CarbonylContact C-O 3.6Å; V312-Y409 WeakPolarHBondContact CA-O 3.44Å; V312-I410 HydrophobicContact CG2-CB 4.44Å; V312-I410 HydrophobicContact CG2-CD1 3.92Å; V312-I410 HydrophobicContact CG2-CG1 3.99Å
313	L	98.2	Very high	91	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	111.4	179	177	68.3	0	0	0	110.1	F257 I260 P310 L315 L338 L340 Y354 Y409	F257-L313 HydrophobicContact CE2-CD1 4.44Å; I260-L313 HydrophobicContact CD1-CD1 4.12Å; P310-L313 HydrophobicContact CG-CB 3.99Å; P310-L313 HydrophobicContact CG-CD1 3.7Å; P310-L313 HydrophobicContact CG-CG 4.48Å; L313-L315 HydrophobicContact CD1-CD2 3.84Å; L313-L315 HydrophobicContact CD2-CD1 4.23Å; L313-L315 HydrophobicContact CD2-CD2 4.09Å; L313-L315 HydrophobicContact CD2-CG 4.21Å; L313-L315 HydrophobicContact CG-CD2 3.85Å; L313-L315 HydrophobicContact CG-CG 4.01Å; L313-L338 HydrophobicContact CD2-CD2 4.19Å; L313-L340 HydrophobicContact CD2-CD1 3.67Å; L313-L340 HydrophobicContact CD2-CD2 4.19Å; L313-Y354 HydrophobicContact CB-CD1 3.93Å; L313-Y354 HydrophobicContact CB-CE1 3.6Å; L313-Y409 PolarHBondContact N-O 3.33Å; L313-Y409 PolarHBondContact O-N 3.08Å
314	T	98.3	Very high	89.4	Confident	7 Å²	7	38.4 Å²	38.4	4%	0.043	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121	172.5	-50.3	0	0	0	0	109.8	L203 D259 I260 V406 F408	L203-T314 HydrophobicContact CD2-CG2 3.98Å; D259-T314 WeakPolarHBondContact CA-O 3.35Å; D259-T314 HydrophobicContact CB-CG2 3.95Å; I260-T314 PolarHBondContact N-O 3.24Å; T314-V406 HydrophobicContact CG2-CG1 3.76Å; T314-F408 HydrophobicContact CG2-CD1 4.2Å; T314-F408 HydrophobicContact CG2-CE1 3.9Å; T314-F408 HydrophobicContact CG2-CZ 4.39Å
315	L	98.4	Very high	87.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	114.1	176.8	-58.5	179.7	0	0	0	110.4	I260 L262 V270 L274 L313 L338 V406 L407 Y409	I260-L315 HydrophobicContact CB-CD2 3.9Å; I260-L315 HydrophobicContact CD1-CD2 4.47Å; I260-L315 HydrophobicContact CG1-CD2 4.49Å; I260-L315 WeakPolarHBondContact O-CA 3.41Å; L262-L315 HydrophobicContact CD1-CB 4.32Å; L262-L315 HydrophobicContact CD1-CD1 4.22Å; L262-L315 HydrophobicContact CD1-CD2 4.28Å; V270-L315 HydrophobicContact CG1-CD1 3.67Å; L274-L315 HydrophobicContact CD1-CD1 4.43Å; L313-L315 HydrophobicContact CD1-CD2 3.84Å; L313-L315 HydrophobicContact CD2-CD1 4.23Å; L313-L315 HydrophobicContact CD2-CD2 4.09Å; L313-L315 HydrophobicContact CD2-CG 4.21Å; L313-L315 HydrophobicContact CG-CD2 3.85Å; L313-L315 HydrophobicContact CG-CG 4.01Å; L315-L338 HydrophobicContact CD1-CD2 3.85Å; L315-V406 WeakPolarHBondContact O-CA 3.39Å; L315-L407 HydrophobicContact CB-CB 4.36Å; L315-L407 PolarHBondContact N-O 3.15Å; L315-L407 PolarHBondContact O-N 3.32Å; L315-Y409 HydrophobicContact CD1-CD2 4.13Å; L315-Y409 HydrophobicContact CD1-CE2 4.04Å
316	S	97.2	Very high	87	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.4	172.3	-179.7	0	0	0	0	110.3	H200 I260 T261 L262	H200-S316 WeakPolarHBondContact CE1-CB 3.39Å; H200-S316 PolarHBondContact CE1-OG 3.19Å; H200-S316 VanDerWaalsContact CE1-OG 3.26Å; H200-S316 PolarHBondContact ND1-OG 3.11Å; H200-S316 WeakPolarHBondContact NE2-CB 3.46Å; I260-S316 PolarHBondContact O-N 3.03Å; T261-S316 CarbonylContact C-O 3.57Å; T261-S316 WeakPolarHBondContact CA-O 3.45Å; L262-S316 PolarHBondContact N-O 2.7Å
317	L	96.4	Very high	86.7	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	112.8	176.9	-56.6	-168	0	0	0	108.8	L262 I264 V270 R319 V332 Y405 L407	L262-L317 HydrophobicContact CB-CD2 4.14Å; L262-L317 HydrophobicContact CD1-CD2 4.05Å; I264-L317 HydrophobicContact CD1-CB 4.37Å; I264-L317 HydrophobicContact CG2-CB 4.11Å; I264-L317 HydrophobicContact CG2-CD2 4.06Å; I264-L317 HydrophobicContact CG2-CG 4.48Å; V270-L317 HydrophobicContact CG2-CD1 4.3Å; V270-L317 HydrophobicContact CG2-CD2 4.13Å; L317-R319 PolarHBondContact O-N 2.98Å; L317-V332 HydrophobicContact CD1-CB 4.45Å; L317-V332 HydrophobicContact CD1-CG1 4.23Å; L317-Y405 PolarHBondContact N-O 2.86Å; L317-Y405 WeakPolarHBondContact O-CD2 3.5Å; L317-Y405 WeakPolarHBondContact O-CE2 3.22Å; L317-L407 HydrophobicContact CD1-CD1 4.16Å; L317-L407 HydrophobicContact CG-CD1 4.47Å
318	K	93.8	Very high	86.4	Confident	83 Å²	83	38.9 Å²	38.9	36%	0.361	21%	0.21	S	C	.	.			trans	-69.5	73.1	-172.7	-169.2	176.3	169.1	-165.7	0	112.1	T261 L262 E263	T261-K318 HydrophobicContact CG2-CB 4Å; T261-K318 HydrophobicContact CG2-CD 4.21Å; T261-K318 HydrophobicContact CG2-CG 4.35Å; L262-K318 WeakPolarHBondContact O-CB 3.34Å; L262-K318 PolarHBondContact O-N 3.4Å; E263-K318 WeakPolarHBondContact OE2-CD 3.45Å; E263-K318 WeakPolarHBondContact OE2-CE 3.33Å; E263-K318 IonicContact OE2-NZ 2.69Å; E263-K318 PolarHBondContact OE2-NZ 3.37Å
319	R	91.8	Very high	86.1	Confident	1 Å²	1	38.5 Å²	38.5	0%	0.004	22%	0.216	C	C	.	.			trans	-79.1	-28.2	-176.5	-77.4	-173.7	-174.9	-75.2	-2.8	113.7	I264 L317 K327 I328 K330 A404 Y405	I264-R319 HydrophobicContact CD1-CB 4.48Å; I264-R319 HydrophobicContact CD1-CG 3.55Å; L317-R319 PolarHBondContact O-N 2.98Å; R319-K327 HydrophobicContact CB-CG 4.3Å; R319-K327 CarbonylContact O-C 3.54Å; R319-K327 WeakPolarHBondContact O-CA 3.33Å; R319-I328 PolarHBondContact NH1-O 2.76Å; R319-I328 WeakPolarHBondContact O-CG1 3.2Å; R319-I328 PolarHBondContact O-N 2.97Å; R319-K330 PolarHBondContact NH1-O 2.99Å; R319-A404 VanDerWaalsContact CZ-O 3.26Å; R319-A404 PolarHBondContact NE-O 3.16Å; R319-A404 PolarHBondContact NH2-O 3.13Å; R319-Y405 HydrophobicContact CB-CD2 4.16Å; R319-Y405 HydrophobicContact CB-CE2 4.37Å; R319-Y405 HydrophobicContact CG-CD2 4.3Å
320	F	86.3	Confident	86	Confident	21 Å²	21	41 Å²	41	9%	0.092	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-92.4	134.2	-176.7	-55.1	-56.1	0	0	0	111.2	K327 H362 C367 Y405	F320-K327 HydrophobicContact CD1-CB 4.08Å; F320-K327 HydrophobicContact CD1-CG 4.19Å; F320-K327 HydrophobicContact CE1-CB 4.05Å; F320-K327 HydrophobicContact CE1-CD 4.45Å; F320-K327 HydrophobicContact CE1-CG 3.89Å; F320-H362 AromaticContact CE1-ND1 3.9Å; F320-H362 AromaticContact CZ-CE1 3.99Å; F320-H362 AromaticContact CZ-ND1 3.62Å; F320-C367 HydrophobicContact CB-CB 4.23Å; F320-C367 HydrophobicContact CD1-CB 3.57Å; F320-C367 HydrophobicContact CD2-CB 3.99Å; F320-C367 HydrophobicContact CE1-CB 3.79Å; F320-C367 HydrophobicContact CE2-CB 4.2Å; F320-C367 HydrophobicContact CG-CB 3.68Å; F320-C367 HydrophobicContact CZ-CB 4.1Å; F320-Y405 HydrophobicContact CD2-CE2 4.05Å; F320-Y405 HydrophobicContact CE2-CE1 4.14Å; F320-Y405 AromaticContact CE2-CE2 3.82Å; F320-Y405 HydrophobicContact CE2-CE2 3.82Å; F320-Y405 AromaticContact CE2-CZ 3.63Å
321	A	69.3	Low	85.8	Confident	30 Å²	30	44.3 Å²	44.3	25%	0.248	24%	0.243	C	C	.	.			trans	-99.9	111.6	177.9	0	0	0	0	0	110.9	F323 T324 G325 G326	A321-F323 PolarHBondContact O-N 2.83Å; A321-T324 PolarHBondContact O-N 3.4Å; A321-T324 VanDerWaalsContact O-N 3.14Å; A321-G325 PolarHBondContact O-N 2.84Å; A321-G325 VanDerWaalsContact O-N 3.13Å; A321-G326 PolarHBondContact N-O 3.47Å; A321-G326 VanDerWaalsContact N-O 3.13Å
322	N	64.2	Low	85.8	Confident	143 Å²	143	42.7 Å²	42.7	77%	0.765	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-23.9	-170.1	-56.2	34.6	0	0	0	115.7
323	F	56.4	Low	85.8	Confident	179 Å²	179	46.9 Å²	46.9	79%	0.785	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	-15.5	-174.2	-66.2	-78.3	0	0	0	114.9	A321	A321-F323 PolarHBondContact O-N 2.83Å
324	T	61.2	Low	85.8	Confident	116 Å²	116	47.3 Å²	47.3	71%	0.712	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.7	-8.8	-176.9	60.7	0	0	0	0	113.7	A321 G326	A321-T324 PolarHBondContact O-N 3.4Å; A321-T324 VanDerWaalsContact O-N 3.14Å; T324-G326 PolarHBondContact O-N 2.81Å
325	G	65.5	Low	85.7	Confident	20 Å²	20	49 Å²	49	21%	0.206	27%	0.265	C	S	.	.			trans	67.1	-3.8	-174.9	0	0	0	0	0	114.6	A321 S366	A321-G325 PolarHBondContact O-N 2.84Å; A321-G325 VanDerWaalsContact O-N 3.13Å; G325-S366 WeakPolarHBondContact O-CA 3.33Å; G325-S366 WeakPolarHBondContact O-CB 3.28Å
326	G	77.8	Confident	85.6	Confident	30 Å²	30	50.8 Å²	50.8	31%	0.309	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-74.1	141.3	-177.4	0	0	0	0	0	112.7	A321 T324	A321-G326 PolarHBondContact N-O 3.47Å; A321-G326 VanDerWaalsContact N-O 3.13Å; T324-G326 PolarHBondContact O-N 2.81Å
327	K	89.1	Confident	85.6	Confident	19 Å²	19	57.7 Å²	57.7	8%	0.083	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-91.6	131.9	170.9	-176.7	-162.6	174.9	-163.3	0	110.5	R319 F320 T329 H362 G364 F365	R319-K327 HydrophobicContact CB-CG 4.3Å; R319-K327 CarbonylContact O-C 3.54Å; R319-K327 WeakPolarHBondContact O-CA 3.33Å; F320-K327 HydrophobicContact CD1-CB 4.08Å; F320-K327 HydrophobicContact CD1-CG 4.19Å; F320-K327 HydrophobicContact CE1-CB 4.05Å; F320-K327 HydrophobicContact CE1-CD 4.45Å; F320-K327 HydrophobicContact CE1-CG 3.89Å; K327-T329 HydrophobicContact CD-CG2 4.17Å; K327-T329 PolarHBondContact O-N 3.27Å; K327-H362 WeakPolarHBondContact CE-O 3.24Å; K327-H362 PolarHBondContact NZ-O 2.99Å; K327-G364 WeakPolarHBondContact CD-O 3.43Å; K327-G364 PolarHBondContact NZ-O 2.75Å; K327-F365 VanDerWaalsContact CB-O 3.22Å; K327-F365 WeakPolarHBondContact CB-O 3.44Å; K327-F365 PolarHBondContact N-O 2.86Å
328	I	89.6	Confident	85.7	Confident	34 Å²	34	57.8 Å²	57.8	17%	0.174	30%	0.3	C	S	.	.			trans	-69.3	97.1	164.2	-60.5	170.9	0	0	0	107.9	I264 K265 R319 K330	I264-I328 HydrophobicContact CD1-CB 4.25Å; I264-I328 HydrophobicContact CD1-CD1 4.45Å; I264-I328 HydrophobicContact CD1-CG2 3.91Å; I264-I328 HydrophobicContact CG1-CD1 4.19Å; I264-I328 HydrophobicContact CG1-CG2 4.48Å; K265-I328 HydrophobicContact CG-CD1 3.74Å; R319-I328 PolarHBondContact NH1-O 2.76Å; R319-I328 WeakPolarHBondContact O-CG1 3.2Å; R319-I328 PolarHBondContact O-N 2.97Å; I328-K330 VanDerWaalsContact C-N 3.28Å; I328-K330 HydrophobicContact CG2-CB 3.62Å
329	T	89.7	Confident	85.7	Confident	70 Å²	70	57.9 Å²	57.9	43%	0.429	30%	0.302	S	S	.	.			trans	-79.6	-7.7	175.5	49.7	0	0	0	0	113.6	K327 D331 Q403	K327-T329 HydrophobicContact CD-CG2 4.17Å; K327-T329 PolarHBondContact O-N 3.27Å; T329-D331 PolarHBondContact O-N 3.13Å; T329-Q403 PolarHBondContact O-NE2 3.07Å
330	K	91.3	Very high	85.9	Confident	71 Å²	71	57.8 Å²	57.8	31%	0.309	30%	0.302	S	S	.	.			trans	-46.1	132.5	174	-170	-161.5	179.3	-176.8	0	111.2	I264 K265 T266 A267 R319 I328	I264-K330 PolarHBondContact O-NZ 2.77Å; K265-K330 PolarHBondContact O-NZ 2.8Å; T266-K330 PolarHBondContact O-NZ 2.57Å; A267-K330 PolarHBondContact O-NZ 3.1Å; R319-K330 PolarHBondContact NH1-O 2.99Å; I328-K330 VanDerWaalsContact C-N 3.28Å; I328-K330 HydrophobicContact CG2-CB 3.62Å
331	D	92.8	Very high	86.3	Confident	71 Å²	71	58.1 Å²	58.1	38%	0.38	30%	0.303	S	S	.	.			trans	-65.7	139.1	169.2	-171.7	15.2	0	0	0	110.1	T329 K333	T329-D331 PolarHBondContact O-N 3.13Å; D331-K333 IonicContact OD1-NZ 2.72Å; D331-K333 WeakPolarHBondContact OD2-CE 3.24Å; D331-K333 IonicContact OD2-NZ 2.73Å; D331-K333 PolarHBondContact OD2-NZ 3.13Å
332	V	96.3	Very high	87.6	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.313	C	S	.	.			trans	-137.6	103.8	-178.7	178.6	0	0	0	0	106.4	I264 P268 V270 L317 Y334	I264-V332 HydrophobicContact CB-CG2 4.18Å; I264-V332 HydrophobicContact CD1-CG2 4.1Å; I264-V332 HydrophobicContact CG2-CG1 4.36Å; I264-V332 HydrophobicContact CG2-CG2 4.49Å; P268-V332 WeakPolarHBondContact O-CA 3.07Å; V270-V332 HydrophobicContact CG2-CG1 4.33Å; L317-V332 HydrophobicContact CD1-CB 4.45Å; L317-V332 HydrophobicContact CD1-CG1 4.23Å; V332-Y334 VanDerWaalsContact O-CD1 3.31Å; V332-Y334 WeakPolarHBondContact O-CD1 3.44Å
333	K	97.6	Very high	89.1	Confident	88 Å²	88	54 Å²	54	38%	0.383	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-69.5	137.3	-174.1	-65	-50.4	-163.8	-166.7	0	112	P268 S269 V270 D331 N401	P268-K333 PolarHBondContact O-N 3.4Å; S269-K333 CarbonylContact C-O 3.57Å; S269-K333 WeakPolarHBondContact CA-O 3.35Å; S269-K333 VanDerWaalsContact CB-O 3.23Å; S269-K333 WeakPolarHBondContact CB-O 3.39Å; V270-K333 PolarHBondContact N-O 3Å; D331-K333 IonicContact OD1-NZ 2.72Å; D331-K333 WeakPolarHBondContact OD2-CE 3.24Å; D331-K333 IonicContact OD2-NZ 2.73Å; D331-K333 PolarHBondContact OD2-NZ 3.13Å; K333-N401 PolarHBondContact NZ-OD1 3.48Å
334	Y	98.1	Very high	90.9	Very high	9 Å²	9	46.3 Å²	46.3	4%	0.035	25%	0.246	C	C	.	.			trans	-127.9	140.9	172	46.1	-85.1	0	0	0	108.6	V332 L356 V359 V399 L400 Q402 A404 L407	V332-Y334 VanDerWaalsContact O-CD1 3.31Å; V332-Y334 WeakPolarHBondContact O-CD1 3.44Å; Y334-L356 HydrophobicContact CD2-CD2 3.92Å; Y334-L356 HydrophobicContact CE2-CD2 4.07Å; Y334-V359 HydrophobicContact CE2-CG1 4.41Å; Y334-V359 HydrophobicContact CE2-CG2 4.01Å; Y334-V399 PolarHBondContact OH-O 2.76Å; Y334-L400 HydrophobicContact CD2-CD2 3.75Å; Y334-L400 HydrophobicContact CE2-CD2 3.75Å; Y334-Q402 WeakPolarHBondContact OH-CB 3.08Å; Y334-Q402 PolarHBondContact OH-N 3.39Å; Y334-Q402 PolarHBondContact OH-O 3.14Å; Y334-A404 HydrophobicContact CD1-CB 3.97Å; Y334-A404 HydrophobicContact CE1-CB 3.32Å; Y334-L407 HydrophobicContact CD1-CD1 4.08Å; Y334-L407 HydrophobicContact CD1-CD2 4.09Å; Y334-L407 HydrophobicContact CD2-CD2 3.66Å; Y334-L407 HydrophobicContact CE1-CD2 4.3Å; Y334-L407 HydrophobicContact CE2-CD2 3.86Å; Y334-L407 HydrophobicContact CG-CD1 3.87Å; Y334-L407 HydrophobicContact CG-CD2 3.79Å
335	P	97.1	Very high	92.4	Very high	43 Å²	43	42.5 Å²	42.5	28%	0.279	23%	0.225	S	C	.	.			trans	-82.5	162.6	176.7	35.5	-36.7	0	0	0	111.4	Y337 L338 Y409	P335-Y337 VanDerWaalsContact C-N 3.25Å; P335-Y337 VanDerWaalsContact CB-O 3.25Å; P335-Y337 WeakPolarHBondContact CB-O 3.5Å; P335-Y337 WeakPolarHBondContact CG-O 3.42Å; P335-L338 HydrophobicContact CG-CB 4.15Å; P335-L338 HydrophobicContact CG-CD1 4.36Å; P335-Y409 PolarHBondContact O-OH 2.8Å
336	E	96.6	Very high	93.5	Very high	38 Å²	38	48 Å²	48	18%	0.178	25%	0.245	C	C	.	.	S	Bend	trans	-68.2	-30.4	163.2	-174.1	170.5	-152.1	0	0	111.1	G355 L356 K377 I396 L400	E336-G355 CarbonylContact O-C 3.37Å; E336-L356 HydrophobicContact CG-CB 4.4Å; E336-L356 WeakPolarHBondContact O-CB 3.44Å; E336-L356 PolarHBondContact O-N 3.36Å; E336-K377 IonicContact OE1-NZ 2.71Å; E336-K377 PolarHBondContact OE1-NZ 3.48Å; E336-I396 HydrophobicContact CB-CD1 4.08Å; E336-I396 HydrophobicContact CB-CG1 4.44Å; E336-I396 HydrophobicContact CG-CD1 3.96Å; E336-I396 HydrophobicContact CG-CG1 4.49Å; E336-L400 HydrophobicContact CB-CD1 4.48Å
337	Y	97.4	Very high	93.7	Very high	145 Å²	145	50.2 Å²	50.2	57%	0.569	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.1	114.8	178.2	-64.1	-82.1	0	0	0	110.9	P335 I353 Y354	P335-Y337 VanDerWaalsContact C-N 3.25Å; P335-Y337 VanDerWaalsContact CB-O 3.25Å; P335-Y337 WeakPolarHBondContact CB-O 3.5Å; P335-Y337 WeakPolarHBondContact CG-O 3.42Å; Y337-I353 HydrophobicContact CD1-CG2 4.19Å; Y337-Y354 CarbonylContact C-O 3.58Å; Y337-Y354 VanDerWaalsContact CA-O 3.29Å; Y337-Y354 WeakPolarHBondContact CA-O 3.46Å
338	L	97.3	Very high	93.4	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.5	-179.2	176.2	63.9	0	0	0	110	V270 L274 L313 L315 P335 I353 Y354 Y409	V270-L338 HydrophobicContact CG1-CD2 4.46Å; L274-L338 HydrophobicContact CD1-CD1 4.14Å; L274-L338 HydrophobicContact CD1-CD2 4.06Å; L313-L338 HydrophobicContact CD2-CD2 4.19Å; L315-L338 HydrophobicContact CD1-CD2 3.85Å; P335-L338 HydrophobicContact CG-CB 4.15Å; P335-L338 HydrophobicContact CG-CD1 4.36Å; L338-I353 CarbonylContact O-C 3.59Å; L338-Y354 PolarHBondContact N-O 2.72Å; L338-Y354 PolarHBondContact O-N 3.03Å; L338-Y409 HydrophobicContact CB-CD1 3.87Å; L338-Y409 HydrophobicContact CB-CE1 3.48Å; L338-Y409 VanDerWaalsContact CB-CE1 3.48Å; L338-Y409 HydrophobicContact CD2-CD1 4.44Å; L338-Y409 HydrophobicContact CD2-CD2 4.14Å; L338-Y409 HydrophobicContact CD2-CE1 4.26Å; L338-Y409 HydrophobicContact CD2-CE2 3.93Å; L338-Y409 HydrophobicContact CD2-CG 4.38Å
339	E	95.6	Very high	93.1	Very high	85 Å²	85	57.4 Å²	57.4	40%	0.397	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	125.7	169.3	-166.8	-173.3	176.4	0	0	110.7	R341 F343	E339-R341 HydrophobicContact CG-CB 4.35Å; E339-F343 WeakPolarHBondContact O-CE2 3.37Å
340	L	95.7	Very high	93	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.313	C	S	.	.			trans	-95.5	-20.6	-177.3	-157.2	68.3	0	0	0	113.8	L274 I306 L313 P342 F343 Q352 Y354	L274-L340 HydrophobicContact CD1-CD1 4.49Å; I306-L340 HydrophobicContact CD1-CD1 3.66Å; I306-L340 HydrophobicContact CD1-CD2 4.04Å; I306-L340 HydrophobicContact CD1-CG 3.94Å; I306-L340 HydrophobicContact CG2-CD2 4.24Å; L313-L340 HydrophobicContact CD2-CD1 3.67Å; L313-L340 HydrophobicContact CD2-CD2 4.19Å; L340-P342 VanDerWaalsContact C-CD 3.47Å; L340-F343 HydrophobicContact CD1-CD2 4.34Å; L340-F343 PolarHBondContact O-N 2.9Å; L340-Q352 HydrophobicContact CB-CB 4.05Å; L340-Q352 PolarHBondContact N-O 2.95Å; L340-Y354 HydrophobicContact CB-CD2 4.13Å; L340-Y354 HydrophobicContact CB-CE2 3.74Å; L340-Y354 HydrophobicContact CD2-CE2 3.62Å; L340-Y354 HydrophobicContact CG-CE2 4.28Å
341	R	94.7	Very high	92.9	Very high	27 Å²	27	60.8 Å²	60.8	10%	0.102	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-52.9	-41.4	-172.2	174.9	63	72	174	6.5	114.1	E339 F343 M344 Q346 S347 Q348 G349 E350 Q352	E339-R341 HydrophobicContact CG-CB 4.35Å; R341-F343 PolarHBondContact O-N 2.84Å; R341-F343 VanDerWaalsContact O-N 3.13Å; R341-M344 PolarHBondContact O-N 3.42Å; R341-M344 VanDerWaalsContact O-N 3.14Å; R341-Q346 WeakPolarHBondContact CD-O 3.5Å; R341-Q346 PolarHBondContact NH1-O 3.43Å; R341-S347 WeakPolarHBondContact CD-O 3.27Å; R341-Q348 PolarHBondContact NH1-O 3.38Å; R341-Q348 VanDerWaalsContact NH1-O 3.15Å; R341-G349 PolarHBondContact NE-O 2.78Å; R341-E350 VanDerWaalsContact CZ-O 3.32Å; R341-E350 PolarHBondContact NE-O 3.28Å; R341-E350 PolarHBondContact NH2-O 3.44Å; R341-Q352 HydrophobicContact CB-CB 4.34Å; R341-Q352 HydrophobicContact CB-CG 4.45Å
342	P	95.2	Very high	93	Very high	71 Å²	71	59.6 Å²	59.6	46%	0.461	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-61	-21.5	177	-25.9	36.3	0	0	0	114.9	L340	L340-P342 VanDerWaalsContact C-CD 3.47Å
343	F	95.6	Very high	92.9	Very high	16 Å²	16	63.4 Å²	63.4	7%	0.07	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-98.8	2.6	-177.6	-45	-63.6	0	0	0	112.8	S271 L274 E275 V278 I306 E339 L340 R341	S271-F343 WeakPolarHBondContact O-CE1 3.08Å; S271-F343 WeakPolarHBondContact O-CZ 3.45Å; L274-F343 HydrophobicContact CB-CD1 3.7Å; L274-F343 HydrophobicContact CB-CD2 3.86Å; L274-F343 HydrophobicContact CB-CE1 3.7Å; L274-F343 HydrophobicContact CB-CE2 3.86Å; L274-F343 HydrophobicContact CB-CG 3.78Å; L274-F343 HydrophobicContact CB-CZ 3.78Å; L274-F343 HydrophobicContact CD1-CD2 3.97Å; L274-F343 HydrophobicContact CD1-CE2 3.89Å; L274-F343 HydrophobicContact CG-CD2 4.41Å; E275-F343 HydrophobicContact CB-CE1 4.04Å; V278-F343 HydrophobicContact CG1-CB 3.93Å; V278-F343 WeakPolarHBondContact CG1-O 3.47Å; V278-F343 HydrophobicContact CG2-CD1 3.98Å; I306-F343 HydrophobicContact CD1-CB 4.49Å; I306-F343 PolarHBondContact N-O 3.36Å; E339-F343 WeakPolarHBondContact O-CE2 3.37Å; L340-F343 HydrophobicContact CD1-CD2 4.34Å; L340-F343 PolarHBondContact O-N 2.9Å; R341-F343 PolarHBondContact O-N 2.84Å; R341-F343 VanDerWaalsContact O-N 3.13Å
344	M	95.7	Very high	93	Very high	17 Å²	17	59.2 Å²	59.2	8%	0.084	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-88.9	157.6	-178	-67.9	-171.8	68.6	0	0	113.4	I306 H307 R341 Q346 Q352	I306-M344 HydrophobicContact CB-CG 4.15Å; I306-M344 HydrophobicContact CG2-CG 4.3Å; I306-M344 CarbonylContact O-C 3.54Å; I306-M344 WeakPolarHBondContact O-CA 3.43Å; I306-M344 VanDerWaalsContact O-CB 3.26Å; I306-M344 WeakPolarHBondContact O-CB 3.49Å; I306-M344 WeakPolarHBondContact O-CG 3.48Å; H307-M344 WeakPolarHBondContact O-CE 3.4Å; R341-M344 PolarHBondContact O-N 3.42Å; R341-M344 VanDerWaalsContact O-N 3.14Å; M344-Q346 PolarHBondContact O-N 3Å; M344-Q352 HydrophobicContact SD-CB 4.36Å; M344-Q352 HydrophobicContact SD-CG 3.79Å
345	S	93	Very high	92.9	Very high	37 Å²	37	59.5 Å²	59.5	26%	0.259	32%	0.32	S	S	.	.	S	Bend	trans	-61.3	-30	175.5	-52.2	0	0	0	0	112.5	T305 I306 H307	T305-S345 PolarHBondContact OG1-OG 3.31Å; I306-S345 PolarHBondContact O-N 2.93Å; H307-S345 WeakPolarHBondContact CA-OG 3.41Å; H307-S345 WeakPolarHBondContact CB-OG 3.48Å
346	Q	88.4	Confident	93	Very high	136 Å²	136	57.6 Å²	57.6	64%	0.636	31%	0.308	S	S	*	.			trans	-110.6	91.6	173.4	-169.3	-167.2	36.7	0	0	108	R341 M344 Q348	R341-Q346 WeakPolarHBondContact CD-O 3.5Å; R341-Q346 PolarHBondContact NH1-O 3.43Å; M344-Q346 PolarHBondContact O-N 3Å; Q346-Q348 VanDerWaalsContact C-N 3.25Å; Q346-Q348 PolarHBondContact O-N 3.4Å
347	S	80.6	Confident	93.1	Very high	75 Å²	75	56.3 Å²	56.3	52%	0.524	30%	0.301	S	S	.	.			trans	-73.6	-15.4	-178.1	57.5	0	0	0	0	113.8	R341	R341-S347 WeakPolarHBondContact CD-O 3.27Å
348	Q	82.5	Confident	93.1	Very high	153 Å²	153	49.4 Å²	49.4	72%	0.715	27%	0.274	S	S	*	.	S	Bend	trans	-90.8	141.4	174.1	-59.4	-63.2	-5.6	0	0	111	R341 Q346	R341-Q348 PolarHBondContact NH1-O 3.38Å; R341-Q348 VanDerWaalsContact NH1-O 3.15Å; Q346-Q348 VanDerWaalsContact C-N 3.25Å; Q346-Q348 PolarHBondContact O-N 3.4Å
349	G	83.5	Confident	93.2	Very high	52 Å²	52	49.3 Å²	49.3	54%	0.536	27%	0.274	S	S	.	.	S	Bend	trans	112.1	177.8	177.7	0	0	0	0	0	114.4	R341	R341-G349 PolarHBondContact NE-O 2.78Å
350	E	87.4	Confident	93.3	Very high	138 Å²	138	45.2 Å²	45.2	65%	0.645	26%	0.255	S	S	*	.	S	Bend	trans	-40.9	130.4	-169	-68	-56.3	120.1	0	0	115.7	R341 Q352	R341-E350 VanDerWaalsContact CZ-O 3.32Å; R341-E350 PolarHBondContact NE-O 3.28Å; R341-E350 PolarHBondContact NH2-O 3.44Å; E350-Q352 PolarHBondContact O-N 3.11Å; E350-Q352 PolarHBondContact O-NE2 2.79Å
351	P	91	Very high	93.4	Very high	74 Å²	74	45.4 Å²	45.4	48%	0.481	26%	0.256	S	S	.	.			trans	-50.9	129.9	175.3	-29.5	36.4	0	0	0	112.7	I353	P351-I353 HydrophobicContact CB-CD1 4.43Å; P351-I353 HydrophobicContact CB-CG1 4.14Å; P351-I353 PolarHBondContact O-N 2.94Å
352	Q	93.1	Very high	93.4	Very high	45 Å²	45	44.2 Å²	44.2	21%	0.21	25%	0.251	C	S	.	.			trans	-100.7	71	178.7	-66.4	-62.8	-76.8	0	0	109.3	S309 L340 R341 M344 E350 Y354	S309-Q352 PolarHBondContact OG-OE1 3.43Å; L340-Q352 HydrophobicContact CB-CB 4.05Å; L340-Q352 PolarHBondContact N-O 2.95Å; R341-Q352 HydrophobicContact CB-CB 4.34Å; R341-Q352 HydrophobicContact CB-CG 4.45Å; M344-Q352 HydrophobicContact SD-CB 4.36Å; M344-Q352 HydrophobicContact SD-CG 3.79Å; E350-Q352 PolarHBondContact O-N 3.11Å; E350-Q352 PolarHBondContact O-NE2 2.79Å; Q352-Y354 WeakPolarHBondContact O-CD2 3.45Å
353	I	95.9	Very high	93.2	Very high	81 Å²	81	43.3 Å²	43.3	42%	0.415	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	138	178.8	-55.1	174	0	0	0	109.4	Y337 L338 P351 P412	Y337-I353 HydrophobicContact CD1-CG2 4.19Å; L338-I353 CarbonylContact O-C 3.59Å; P351-I353 HydrophobicContact CB-CD1 4.43Å; P351-I353 HydrophobicContact CB-CG1 4.14Å; P351-I353 PolarHBondContact O-N 2.94Å; I353-P412 WeakPolarHBondContact O-CD 3.13Å
354	Y	97.8	Very high	92.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	143	170.3	-71.4	-112.5	0	0	0	110.3	S309 P310 L313 Y337 L338 L340 Q352 I410 K411	S309-Y354 WeakPolarHBondContact CB-OH 3.23Å; P310-Y354 VanDerWaalsContact O-CE1 3.28Å; P310-Y354 WeakPolarHBondContact O-CE1 3.09Å; P310-Y354 PolarHBondContact O-OH 3.39Å; L313-Y354 HydrophobicContact CB-CD1 3.93Å; L313-Y354 HydrophobicContact CB-CE1 3.6Å; Y337-Y354 CarbonylContact C-O 3.58Å; Y337-Y354 VanDerWaalsContact CA-O 3.29Å; Y337-Y354 WeakPolarHBondContact CA-O 3.46Å; L338-Y354 PolarHBondContact N-O 2.72Å; L338-Y354 PolarHBondContact O-N 3.03Å; L340-Y354 HydrophobicContact CB-CD2 4.13Å; L340-Y354 HydrophobicContact CB-CE2 3.74Å; L340-Y354 HydrophobicContact CD2-CE2 3.62Å; L340-Y354 HydrophobicContact CG-CE2 4.28Å; Q352-Y354 WeakPolarHBondContact O-CD2 3.45Å; Y354-I410 CarbonylContact C-O 3.57Å; Y354-I410 WeakPolarHBondContact CA-O 3.4Å; Y354-K411 HydrophobicContact CD1-CG 4.03Å; Y354-K411 HydrophobicContact CE1-CG 3.54Å; Y354-K411 HydrophobicContact CE2-CG 4.19Å; Y354-K411 WeakPolarHBondContact OH-CE 3.35Å
355	G	97.7	Very high	91.9	Very high	15 Å²	15	51.4 Å²	51.4	16%	0.155	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	134.2	168.4	0	0	0	0	0	111.7	E336 Y409 I410	E336-G355 CarbonylContact O-C 3.37Å; G355-Y409 CarbonylContact O-C 3.58Å; G355-Y409 WeakPolarHBondContact O-CA 3.22Å; G355-I410 PolarHBondContact N-O 3.11Å; G355-I410 PolarHBondContact O-N 2.95Å
356	L	98.3	Very high	91.1	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.016	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	130.9	170.7	-172.5	73.4	0	0	0	109.5	Y334 E336 V359 W383 L400 L407 Y409	Y334-L356 HydrophobicContact CD2-CD2 3.92Å; Y334-L356 HydrophobicContact CE2-CD2 4.07Å; E336-L356 HydrophobicContact CG-CB 4.4Å; E336-L356 WeakPolarHBondContact O-CB 3.44Å; E336-L356 PolarHBondContact O-N 3.36Å; L356-V359 HydrophobicContact CD1-CG2 4.12Å; L356-V359 HydrophobicContact CD2-CG2 3.74Å; L356-V359 HydrophobicContact CG-CG2 4.14Å; L356-W383 HydrophobicContact CD2-CH2 4.18Å; L356-W383 HydrophobicContact CD2-CZ2 4.44Å; L356-W383 HydrophobicContact CG-CH2 4.02Å; L356-W383 HydrophobicContact CG-CZ2 4.46Å; L356-W383 WeakPolarHBondContact O-CZ2 3.4Å; L356-L400 HydrophobicContact CD2-CD2 3.81Å; L356-L407 HydrophobicContact CD1-CB 4.37Å; L356-L407 HydrophobicContact CD1-CD2 3.93Å; L356-Y409 HydrophobicContact CB-CD1 4.03Å; L356-Y409 HydrophobicContact CB-CE1 3.74Å; L356-Y409 HydrophobicContact CD1-CD1 4.17Å; L356-Y409 HydrophobicContact CD1-CD2 4.15Å; L356-Y409 HydrophobicContact CD1-CE1 3.8Å; L356-Y409 HydrophobicContact CD1-CE2 3.79Å; L356-Y409 HydrophobicContact CD1-CG 4.34Å; L356-Y409 HydrophobicContact CG-CE1 4.35Å
357	Y	98.2	Very high	90.1	Very high	10 Å²	10	46 Å²	46	4%	0.039	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	-15.6	176.8	78	-85.7	0	0	0	114.2	Y132 T133 V312 I376 K377 F408 I410	Y132-Y357 WeakPolarHBondContact O-CD2 3.4Å; Y132-Y357 WeakPolarHBondContact O-CE2 3.46Å; T133-Y357 WeakPolarHBondContact CB-OH 3.19Å; T133-Y357 WeakPolarHBondContact CG2-OH 3.39Å; T133-Y357 WeakPolarHBondContact OG1-CE2 3.23Å; T133-Y357 PolarHBondContact OG1-OH 2.88Å; V312-Y357 HydrophobicContact CG1-CE1 4Å; V312-Y357 VanDerWaalsContact CG1-OH 3.23Å; V312-Y357 WeakPolarHBondContact CG1-OH 3.49Å; Y357-I376 CarbonylContact O-C 3.55Å; Y357-I376 WeakPolarHBondContact O-CA 3.3Å; Y357-K377 PolarHBondContact O-N 3Å; Y357-F408 HydrophobicContact CD1-CB 4.25Å; Y357-F408 VanDerWaalsContact CD1-O 3.31Å; Y357-F408 WeakPolarHBondContact CD1-O 3.5Å; Y357-F408 HydrophobicContact CE1-CB 3.57Å; Y357-F408 HydrophobicContact CE2-CB 4.16Å; Y357-F408 PolarHBondContact N-O 3.13Å; Y357-I410 HydrophobicContact CD1-CB 3.79Å; Y357-I410 HydrophobicContact CD1-CG2 3.7Å; Y357-I410 HydrophobicContact CE1-CB 3.96Å; Y357-I410 HydrophobicContact CE1-CG2 4.37Å; Y357-I410 HydrophobicContact CG-CG2 4.32Å
358	A	98.4	Very high	89.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	148.4	167.3	0	0	0	0	0	113.2	C129 Y375 I376 F408	C129-A358 HydrophobicContact CB-CB 4.26Å; A358-Y375 CarbonylContact C-O 3.54Å; A358-Y375 VanDerWaalsContact CA-O 3.23Å; A358-Y375 WeakPolarHBondContact CA-O 3.24Å; A358-I376 HydrophobicContact CB-CG2 3.99Å; A358-F408 HydrophobicContact CB-CB 3.99Å; A358-F408 HydrophobicContact CB-CD2 3.92Å; A358-F408 HydrophobicContact CB-CG 4.2Å; A358-F408 PolarHBondContact N-O 2.74Å; A358-F408 PolarHBondContact O-N 3.29Å
359	V	98.6	Very high	89.4	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	108.7	177.9	-177.7	0	0	0	0	108.2	Y334 L356 V361 C374 Y375 V399 A404 L407	Y334-V359 HydrophobicContact CE2-CG1 4.41Å; Y334-V359 HydrophobicContact CE2-CG2 4.01Å; L356-V359 HydrophobicContact CD1-CG2 4.12Å; L356-V359 HydrophobicContact CD2-CG2 3.74Å; L356-V359 HydrophobicContact CG-CG2 4.14Å; V359-V361 HydrophobicContact CG1-CG2 3.91Å; V359-C374 CarbonylContact O-C 3.6Å; V359-C374 WeakPolarHBondContact O-CA 3.32Å; V359-C374 VanDerWaalsContact O-CB 3.28Å; V359-C374 WeakPolarHBondContact O-CB 3.38Å; V359-Y375 PolarHBondContact N-O 3.3Å; V359-Y375 PolarHBondContact O-N 3.45Å; V359-V399 HydrophobicContact CB-CG1 4.25Å; V359-V399 HydrophobicContact CG2-CG1 3.59Å; V359-A404 HydrophobicContact CG1-CB 3.53Å; V359-L407 HydrophobicContact CB-CD2 4.36Å; V359-L407 HydrophobicContact CG1-CD2 3.98Å; V359-L407 HydrophobicContact CG2-CD2 3.88Å
360	L	98.4	Very high	89.7	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	125.7	171.7	-165.5	155.8	0	0	0	108.7	A126 A199 Y372 C374 Y405 V406 F408	A126-L360 HydrophobicContact CB-CD1 4.19Å; A199-L360 HydrophobicContact CB-CD1 4.22Å; A199-L360 HydrophobicContact CB-CD2 3.89Å; L360-Y372 HydrophobicContact CD2-CD1 3.79Å; L360-Y372 HydrophobicContact CD2-CE1 4.41Å; L360-C374 HydrophobicContact CB-CB 4.39Å; L360-Y405 HydrophobicContact CD2-CD1 3.99Å; L360-Y405 PolarHBondContact O-N 3.08Å; L360-V406 HydrophobicContact CB-CB 4.09Å; L360-V406 PolarHBondContact N-O 2.89Å; L360-V406 PolarHBondContact O-N 3.27Å; L360-V406 VanDerWaalsContact O-N 3.16Å; L360-F408 HydrophobicContact CB-CE2 4.33Å
361	V	97.3	Very high	90.1	Very high	4 Å²	4	39 Å²	39	2%	0.024	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.6	-173.6	-176.5	0	0	0	0	109.5	V359 Y372 F373 Y375 Q402	V359-V361 HydrophobicContact CG1-CG2 3.91Å; V361-Y372 WeakPolarHBondContact O-CA 3.42Å; V361-F373 HydrophobicContact CB-CD1 4.33Å; V361-F373 HydrophobicContact CB-CD2 4.4Å; V361-F373 HydrophobicContact CB-CE1 4.01Å; V361-F373 HydrophobicContact CB-CE2 4.12Å; V361-F373 HydrophobicContact CB-CZ 3.9Å; V361-F373 HydrophobicContact CG1-CD1 4.48Å; V361-F373 HydrophobicContact CG1-CE1 3.7Å; V361-F373 HydrophobicContact CG1-CE2 4.23Å; V361-F373 HydrophobicContact CG1-CZ 3.57Å; V361-F373 HydrophobicContact CG2-CE2 4.43Å; V361-F373 PolarHBondContact N-O 2.99Å; V361-F373 PolarHBondContact O-N 2.91Å; V361-F373 VanDerWaalsContact O-N 3.1Å; V361-F373 VanDerWaalsContact O-O 3.07Å; V361-Y375 HydrophobicContact CG2-CD2 4.09Å; V361-Y375 HydrophobicContact CG2-CE2 4.15Å; V361-Q402 HydrophobicContact CG1-CB 4.43Å; V361-Q402 HydrophobicContact CG2-CB 3.74Å; V361-Q402 HydrophobicContact CG2-CG 4.17Å
362	H	94.8	Very high	90.4	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.009	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.2	169.7	-177.1	-110.6	0	0	0	110.1	F320 K327 S366 G370 H371 Y372 Y405	F320-H362 AromaticContact CE1-ND1 3.9Å; F320-H362 AromaticContact CZ-CE1 3.99Å; F320-H362 AromaticContact CZ-ND1 3.62Å; K327-H362 WeakPolarHBondContact CE-O 3.24Å; K327-H362 PolarHBondContact NZ-O 2.99Å; H362-S366 PolarHBondContact CE1-O 3.36Å; H362-S366 VanDerWaalsContact CE1-O 3.24Å; H362-G370 WeakPolarHBondContact NE2-CA 3.38Å; H362-H371 PolarHBondContact CD2-O 2.92Å; H362-Y372 HydrophobicContact CB-CD1 3.73Å; H362-Y372 HydrophobicContact CB-CE1 3.66Å; H362-Y372 AromaticContact CD2-CD1 3.5Å; H362-Y372 VanDerWaalsContact CD2-CD1 3.5Å; H362-Y372 WeakPolarHBondContact CD2-CD1 3.46Å; H362-Y372 AromaticContact CD2-CD2 3.72Å; H362-Y372 AromaticContact CD2-CE1 3.34Å; H362-Y372 WeakPolarHBondContact CD2-CE1 3.42Å; H362-Y372 AromaticContact CD2-CE2 3.58Å; H362-Y372 AromaticContact CD2-CG 3.71Å; H362-Y372 AromaticContact CD2-CZ 3.39Å; H362-Y372 AromaticContact CG-CD1 3.94Å; H362-Y372 AromaticContact CG-CE1 3.65Å; H362-Y372 AromaticContact NE2-CE2 3.97Å; H362-Y372 AromaticContact NE2-CZ 3.97Å; H362-Y405 HydrophobicContact CB-CG 4.49Å
363	S	92.1	Very high	90.6	Very high	51 Å²	51	34.7 Å²	34.7	36%	0.357	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	155.4	167.6	59.7	0	0	0	0	110.6	G370 H371	S363-G370 CarbonylContact O-C 3.57Å; S363-G370 WeakPolarHBondContact O-CA 3.27Å; S363-H371 PolarHBondContact N-O 3.47Å; S363-H371 PolarHBondContact O-N 2.94Å; S363-H371 PolarHBondContact OG-O 2.76Å
364	G	86.6	Confident	90.7	Very high	26 Å²	26	30.9 Å²	30.9	27%	0.268	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	103.7	175.3	-168.7	0	0	0	0	0	113.5	K327	K327-G364 WeakPolarHBondContact CD-O 3.43Å; K327-G364 PolarHBondContact NZ-O 2.75Å
365	F	76.4	Confident	90.8	Very high	178 Å²	178	31.5 Å²	31.5	78%	0.781	18%	0.182	S	C	*	.	S	Bend	trans	-112.4	-15.4	-162.2	-61.1	-80.1	0	0	0	115.1	K327	K327-F365 VanDerWaalsContact CB-O 3.22Å; K327-F365 WeakPolarHBondContact CB-O 3.44Å; K327-F365 PolarHBondContact N-O 2.86Å
366	S	75.6	Confident	90.8	Very high	30 Å²	30	30.8 Å²	30.8	21%	0.21	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-136.2	175.2	177.9	71.2	0	0	0	0	110.8	G325 H362 H368 A369	G325-S366 WeakPolarHBondContact O-CA 3.33Å; G325-S366 WeakPolarHBondContact O-CB 3.28Å; H362-S366 PolarHBondContact CE1-O 3.36Å; H362-S366 VanDerWaalsContact CE1-O 3.24Å; S366-H368 PolarHBondContact O-N 2.95Å; S366-H368 PolarHBondContact OG-N 3.04Å; S366-A369 PolarHBondContact OG-N 3.4Å; S366-A369 VanDerWaalsContact OG-N 3.11Å
367	C	68.6	Low	90.7	Very high	30 Å²	30	33.1 Å²	33.1	20%	0.203	18%	0.184	C	C	.	.	S	Bend	trans	-79.2	0.7	169	44.7	0	0	0	0	114.2	F320	F320-C367 HydrophobicContact CB-CB 4.23Å; F320-C367 HydrophobicContact CD1-CB 3.57Å; F320-C367 HydrophobicContact CD2-CB 3.99Å; F320-C367 HydrophobicContact CE1-CB 3.79Å; F320-C367 HydrophobicContact CE2-CB 4.2Å; F320-C367 HydrophobicContact CG-CB 3.68Å; F320-C367 HydrophobicContact CZ-CB 4.1Å
368	H	69.3	Low	90.6	Very high	144 Å²	144	33 Å²	33	67%	0.667	19%	0.185	S	C	*	.	S	Bend	trans	-119.2	-6.4	-175.5	-52	-36.6	0	0	0	113.4	Q196 S366	Q196-H368 PolarHBondContact OE1-O 3.35Å; S366-H368 PolarHBondContact O-N 2.95Å; S366-H368 PolarHBondContact OG-N 3.04Å
369	A	78.6	Confident	90.4	Very high	59 Å²	59	33.8 Å²	33.8	49%	0.488	19%	0.191	S	C	.	.	S	Bend	trans	-149.5	97.6	179.7	0	0	0	0	0	109.6	S366	S366-A369 PolarHBondContact OG-N 3.4Å; S366-A369 VanDerWaalsContact OG-N 3.11Å
370	G	89.4	Confident	90.2	Very high	20 Å²	20	37 Å²	37	21%	0.206	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.8	-163.4	176.2	0	0	0	0	0	113.2	Q196 H362 S363	Q196-G370 PolarHBondContact NE2-O 3.47Å; Q196-G370 VanDerWaalsContact NE2-O 3.16Å; Q196-G370 PolarHBondContact OE1-O 3.43Å; H362-G370 WeakPolarHBondContact NE2-CA 3.38Å; S363-G370 CarbonylContact O-C 3.57Å; S363-G370 WeakPolarHBondContact O-CA 3.27Å
371	H	95.4	Very high	90	Very high	48 Å²	48	39 Å²	39	22%	0.222	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	139.1	-178.9	179.1	52.1	0	0	0	110.7	C121 H362 S363 N387 D388	C121-H371 VanDerWaalsContact CB-CE1 3.41Å; C121-H371 WeakPolarHBondContact CB-CE1 3.15Å; C121-H371 WeakPolarHBondContact CB-ND1 3.45Å; C121-H371 PolarHBondContact SG-ND1 2.89Å; H362-H371 PolarHBondContact CD2-O 2.92Å; S363-H371 PolarHBondContact N-O 3.47Å; S363-H371 PolarHBondContact O-N 2.94Å; S363-H371 PolarHBondContact OG-O 2.76Å; H371-N387 PolarHBondContact NE2-OD1 2.85Å; H371-D388 IonicContact CE1-OD2 2.63Å; H371-D388 PolarHBondContact CE1-OD2 3.09Å; H371-D388 VanDerWaalsContact CE1-OD2 3.29Å
372	Y	97.1	Very high	90	Very high	7 Å²	7	43.7 Å²	43.7	3%	0.027	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.9	179.8	-64	-90.3	0	0	0	111.5	C121 F122 S125 E197 A199 L360 V361 H362 Y405	C121-Y372 WeakPolarHBondContact CB-O 3.49Å; F122-Y372 HydrophobicContact CB-CD2 3.54Å; F122-Y372 HydrophobicContact CB-CE2 3.64Å; F122-Y372 HydrophobicContact CB-CG 4.24Å; S125-Y372 WeakPolarHBondContact OG-CB 3.4Å; E197-Y372 WeakPolarHBondContact O-CE2 3.32Å; E197-Y372 PolarHBondContact O-OH 2.87Å; A199-Y372 HydrophobicContact CB-CD1 3.58Å; A199-Y372 HydrophobicContact CB-CD2 4.47Å; A199-Y372 HydrophobicContact CB-CE1 3.46Å; A199-Y372 VanDerWaalsContact CB-CE1 3.46Å; A199-Y372 HydrophobicContact CB-CE2 4.37Å; A199-Y372 HydrophobicContact CB-CG 4.08Å; L360-Y372 HydrophobicContact CD2-CD1 3.79Å; L360-Y372 HydrophobicContact CD2-CE1 4.41Å; V361-Y372 WeakPolarHBondContact O-CA 3.42Å; H362-Y372 HydrophobicContact CB-CD1 3.73Å; H362-Y372 HydrophobicContact CB-CE1 3.66Å; H362-Y372 AromaticContact CD2-CD1 3.5Å; H362-Y372 VanDerWaalsContact CD2-CD1 3.5Å; H362-Y372 WeakPolarHBondContact CD2-CD1 3.46Å; H362-Y372 AromaticContact CD2-CD2 3.72Å; H362-Y372 AromaticContact CD2-CE1 3.34Å; H362-Y372 WeakPolarHBondContact CD2-CE1 3.42Å; H362-Y372 AromaticContact CD2-CE2 3.58Å; H362-Y372 AromaticContact CD2-CG 3.71Å; H362-Y372 AromaticContact CD2-CZ 3.39Å; H362-Y372 AromaticContact CG-CD1 3.94Å; H362-Y372 AromaticContact CG-CE1 3.65Å; H362-Y372 AromaticContact NE2-CE2 3.97Å; H362-Y372 AromaticContact NE2-CZ 3.97Å; Y372-Y405 HydrophobicContact CD1-CD1 4.49Å; Y372-Y405 AromaticContact CE1-CD1 3.83Å; Y372-Y405 HydrophobicContact CE1-CD1 3.83Å; Y372-Y405 HydrophobicContact CE1-CE1 4.04Å
373	F	98.1	Very high	90.2	Very high	21 Å²	21	44.1 Å²	44.1	9%	0.092	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	172	172.5	61.4	-76.3	0	0	0	108.2	V361 Y375 Q385 N387	V361-F373 HydrophobicContact CB-CD1 4.33Å; V361-F373 HydrophobicContact CB-CD2 4.4Å; V361-F373 HydrophobicContact CB-CE1 4.01Å; V361-F373 HydrophobicContact CB-CE2 4.12Å; V361-F373 HydrophobicContact CB-CZ 3.9Å; V361-F373 HydrophobicContact CG1-CD1 4.48Å; V361-F373 HydrophobicContact CG1-CE1 3.7Å; V361-F373 HydrophobicContact CG1-CE2 4.23Å; V361-F373 HydrophobicContact CG1-CZ 3.57Å; V361-F373 HydrophobicContact CG2-CE2 4.43Å; V361-F373 PolarHBondContact N-O 2.99Å; V361-F373 PolarHBondContact O-N 2.91Å; V361-F373 VanDerWaalsContact O-N 3.1Å; V361-F373 VanDerWaalsContact O-O 3.07Å; F373-Y375 HydrophobicContact CD2-CE2 4.06Å; F373-Y375 HydrophobicContact CE2-CD2 4.49Å; F373-Y375 AromaticContact CE2-CE2 3.54Å; F373-Y375 HydrophobicContact CE2-CE2 3.54Å; F373-Y375 AromaticContact CE2-CZ 3.96Å; F373-Q385 HydrophobicContact CD2-CG 4.08Å; F373-Q385 VanDerWaalsContact CE2-NE2 3.33Å; F373-N387 HydrophobicContact CB-CB 4Å
374	C	98.6	Very high	90.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	162.3	175.6	60.9	0	0	0	0	112.6	C129 V359 L360 M386	C129-C374 VanDerWaalsContact SG-CB 3.59Å; V359-C374 CarbonylContact O-C 3.6Å; V359-C374 WeakPolarHBondContact O-CA 3.32Å; V359-C374 VanDerWaalsContact O-CB 3.28Å; V359-C374 WeakPolarHBondContact O-CB 3.38Å; L360-C374 HydrophobicContact CB-CB 4.39Å; C374-M386 PolarHBondContact N-O 3.04Å; C374-M386 PolarHBondContact O-N 2.95Å
375	Y	98.7	Very high	91	Very high	13 Å²	13	43.7 Å²	43.7	5%	0.051	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.1	164	-63.6	-94.3	0	0	0	108.4	A358 V359 V361 F373 Y384 Q385 S394 V399 Q402	A358-Y375 CarbonylContact C-O 3.54Å; A358-Y375 VanDerWaalsContact CA-O 3.23Å; A358-Y375 WeakPolarHBondContact CA-O 3.24Å; V359-Y375 PolarHBondContact N-O 3.3Å; V359-Y375 PolarHBondContact O-N 3.45Å; V361-Y375 HydrophobicContact CG2-CD2 4.09Å; V361-Y375 HydrophobicContact CG2-CE2 4.15Å; F373-Y375 HydrophobicContact CD2-CE2 4.06Å; F373-Y375 HydrophobicContact CE2-CD2 4.49Å; F373-Y375 AromaticContact CE2-CE2 3.54Å; F373-Y375 HydrophobicContact CE2-CE2 3.54Å; F373-Y375 AromaticContact CE2-CZ 3.96Å; Y375-Y384 CarbonylContact C-O 3.47Å; Y375-Y384 VanDerWaalsContact CA-O 3.24Å; Y375-Y384 WeakPolarHBondContact CA-O 3.49Å; Y375-Q385 HydrophobicContact CD1-CB 3.79Å; Y375-Q385 HydrophobicContact CD1-CG 4.11Å; Y375-Q385 HydrophobicContact CE1-CB 3.54Å; Y375-Q385 HydrophobicContact CE1-CG 3.63Å; Y375-Q385 HydrophobicContact CE2-CG 4.44Å; Y375-Q385 PolarHBondContact OH-NE2 3.35Å; Y375-S394 WeakPolarHBondContact CE1-OG 3.34Å; Y375-V399 HydrophobicContact CD1-CG2 3.71Å; Y375-V399 HydrophobicContact CE1-CG2 4.46Å; Y375-V399 HydrophobicContact CG-CG1 4.46Å; Y375-V399 HydrophobicContact CG-CG2 3.83Å; Y375-Q402 HydrophobicContact CD2-CG 4.02Å; Y375-Q402 HydrophobicContact CE2-CG 3.48Å; Y375-Q402 VanDerWaalsContact CE2-CG 3.48Å; Y375-Q402 PolarHBondContact OH-NE2 2.9Å
376	I	98	Very high	92.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.3	177.9	64.3	80.7	0	0	0	110.4	I110 Y132 Y357 A358 A378 W383 Y384 M386	I110-I376 HydrophobicContact CD1-CD1 4Å; Y132-I376 HydrophobicContact CD1-CD1 3.56Å; Y132-I376 HydrophobicContact CD1-CG1 4.31Å; Y132-I376 HydrophobicContact CD2-CB 4.11Å; Y132-I376 HydrophobicContact CD2-CD1 3.75Å; Y132-I376 HydrophobicContact CD2-CG1 3.6Å; Y132-I376 HydrophobicContact CD2-CG2 4.17Å; Y132-I376 HydrophobicContact CE1-CD1 3.73Å; Y132-I376 HydrophobicContact CE2-CD1 3.94Å; Y132-I376 HydrophobicContact CE2-CG1 3.97Å; Y132-I376 HydrophobicContact CG-CB 4.05Å; Y132-I376 HydrophobicContact CG-CD1 3.56Å; Y132-I376 HydrophobicContact CG-CG1 3.78Å; Y132-I376 HydrophobicContact CG-CG2 4.44Å; Y357-I376 CarbonylContact O-C 3.55Å; Y357-I376 WeakPolarHBondContact O-CA 3.3Å; A358-I376 HydrophobicContact CB-CG2 3.99Å; I376-A378 HydrophobicContact CD1-CB 3.85Å; I376-W383 CarbonylContact O-C 3.56Å; I376-W383 WeakPolarHBondContact O-CA 3.4Å; I376-Y384 HydrophobicContact CD1-CD2 4.3Å; I376-Y384 PolarHBondContact N-O 3.4Å; I376-Y384 PolarHBondContact O-N 3.06Å; I376-M386 HydrophobicContact CD1-CE 3.85Å; I376-M386 HydrophobicContact CG1-CE 3.77Å; I376-M386 HydrophobicContact CG1-CG 3.78Å
377	K	97.3	Very high	93.1	Very high	53 Å²	53	36.2 Å²	36.2	23%	0.23	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	105.3	172.2	-157.5	173.4	-168	171.1	0	107.7	E336 Y357 G381 Q382 W383	E336-K377 IonicContact OE1-NZ 2.71Å; E336-K377 PolarHBondContact OE1-NZ 3.48Å; Y357-K377 PolarHBondContact O-N 3Å; K377-G381 VanDerWaalsContact CE-O 3.22Å; K377-G381 WeakPolarHBondContact CE-O 3.27Å; K377-G381 WeakPolarHBondContact CG-O 3.43Å; K377-Q382 CarbonylContact C-O 3.58Å; K377-Q382 WeakPolarHBondContact CA-O 3.3Å; K377-W383 HydrophobicContact CB-CD2 3.94Å; K377-W383 HydrophobicContact CB-CE3 4Å; K377-W383 HydrophobicContact CB-CH2 4.02Å; K377-W383 HydrophobicContact CB-CZ2 3.97Å; K377-W383 HydrophobicContact CB-CZ3 4.04Å; K377-W383 HydrophobicContact CD-CD2 4.46Å; K377-W383 HydrophobicContact CD-CZ2 3.82Å; K377-W383 HydrophobicContact CG-CD2 4.1Å; K377-W383 HydrophobicContact CG-CG 4.39Å; K377-W383 HydrophobicContact CG-CZ2 4.23Å
378	A	95.7	Very high	94.5	Very high	6 Å²	6	35.8 Å²	35.8	5%	0.05	20%	0.198	C	C	.	.			trans	-74.8	173.8	-173.1	0	0	0	0	0	111.9	I110 Y132 I376 N380 G381 Q382 Y384	I110-A378 HydrophobicContact CD1-CB 3.67Å; Y132-A378 HydrophobicContact CD1-CB 4.38Å; Y132-A378 HydrophobicContact CE1-CB 4.18Å; I376-A378 HydrophobicContact CD1-CB 3.85Å; A378-N380 PolarHBondContact O-N 2.81Å; A378-N380 VanDerWaalsContact O-N 3.13Å; A378-G381 WeakPolarHBondContact O-CA 3.19Å; A378-G381 PolarHBondContact O-N 3.39Å; A378-Q382 PolarHBondContact N-O 2.89Å; A378-Y384 HydrophobicContact CB-CD2 3.76Å; A378-Y384 HydrophobicContact CB-CE2 3.65Å
379	S	94.9	Very high	95.9	Very high	17 Å²	17	32 Å²	32	12%	0.119	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.7	-177.3	69.3	0	0	0	0	115.3	W104 H108 G381	W104-S379 VanDerWaalsContact CD2-CB 3.46Å; W104-S379 VanDerWaalsContact CG-CB 3.5Å; H108-S379 PolarHBondContact N-OG 3.01Å; H108-S379 PolarHBondContact O-OG 3.31Å; H108-S379 VanDerWaalsContact O-OG 3.04Å; S379-G381 VanDerWaalsContact C-N 3.26Å
380	N	94.1	Very high	96.8	Very high	68 Å²	68	31.7 Å²	31.7	36%	0.364	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	3.6	171.4	68.7	-9.2	0	0	0	113.6	V107 A378 Q382 Y384	V107-N380 HydrophobicContact CG1-CB 4.07Å; A378-N380 PolarHBondContact O-N 2.81Å; A378-N380 VanDerWaalsContact O-N 3.13Å; N380-Q382 VanDerWaalsContact C-N 3.25Å; N380-Q382 PolarHBondContact ND2-OE1 3.4Å; N380-Q382 VanDerWaalsContact ND2-OE1 3.11Å; N380-Q382 PolarHBondContact O-N 3.49Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.44Å; N380-Q382 PolarHBondContact OD1-N 3.36Å; N380-Y384 PolarHBondContact ND2-OH 2.88Å
381	G	94.1	Very high	97.2	Very high	42 Å²	42	33.1 Å²	33.1	43%	0.433	19%	0.187	S	C	.	.	S	Bend	trans	79.3	-7.1	-178.5	0	0	0	0	0	115.5	K377 A378 S379	K377-G381 VanDerWaalsContact CE-O 3.22Å; K377-G381 WeakPolarHBondContact CE-O 3.27Å; K377-G381 WeakPolarHBondContact CG-O 3.43Å; A378-G381 WeakPolarHBondContact O-CA 3.19Å; A378-G381 PolarHBondContact O-N 3.39Å; S379-G381 VanDerWaalsContact C-N 3.26Å
382	Q	96.6	Very high	97.3	Very high	102 Å²	102	33.3 Å²	33.3	48%	0.477	19%	0.193	S	C	.	.			trans	-80.6	150.3	179	-64.3	-177.9	-25.8	0	0	111.6	K377 A378 N380 Y384	K377-Q382 CarbonylContact C-O 3.58Å; K377-Q382 WeakPolarHBondContact CA-O 3.3Å; A378-Q382 PolarHBondContact N-O 2.89Å; N380-Q382 VanDerWaalsContact C-N 3.25Å; N380-Q382 PolarHBondContact ND2-OE1 3.4Å; N380-Q382 VanDerWaalsContact ND2-OE1 3.11Å; N380-Q382 PolarHBondContact O-N 3.49Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.44Å; N380-Q382 PolarHBondContact OD1-N 3.36Å; Q382-Y384 HydrophobicContact CB-CD2 4.47Å; Q382-Y384 HydrophobicContact CB-CE2 3.74Å; Q382-Y384 WeakPolarHBondContact O-CD2 3.37Å; Q382-Y384 PolarHBondContact OE1-OH 3.16Å; Q382-Y384 VanDerWaalsContact OE1-OH 3.09Å
383	W	98.3	Very high	97.3	Very high	12 Å²	12	37.6 Å²	37.6	5%	0.045	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	141.1	174	-76.5	99.5	0	0	0	111	L356 I376 K377 S394 I396 V399	L356-W383 HydrophobicContact CD2-CH2 4.18Å; L356-W383 HydrophobicContact CD2-CZ2 4.44Å; L356-W383 HydrophobicContact CG-CH2 4.02Å; L356-W383 HydrophobicContact CG-CZ2 4.46Å; L356-W383 WeakPolarHBondContact O-CZ2 3.4Å; I376-W383 CarbonylContact O-C 3.56Å; I376-W383 WeakPolarHBondContact O-CA 3.4Å; K377-W383 HydrophobicContact CB-CD2 3.94Å; K377-W383 HydrophobicContact CB-CE3 4Å; K377-W383 HydrophobicContact CB-CH2 4.02Å; K377-W383 HydrophobicContact CB-CZ2 3.97Å; K377-W383 HydrophobicContact CB-CZ3 4.04Å; K377-W383 HydrophobicContact CD-CD2 4.46Å; K377-W383 HydrophobicContact CD-CZ2 3.82Å; K377-W383 HydrophobicContact CG-CD2 4.1Å; K377-W383 HydrophobicContact CG-CG 4.39Å; K377-W383 HydrophobicContact CG-CZ2 4.23Å; W383-S394 WeakPolarHBondContact CB-O 3.21Å; W383-S394 PolarHBondContact O-N 2.8Å; W383-S394 VanDerWaalsContact O-O 3.14Å; W383-I396 HydrophobicContact CZ2-CD1 3.87Å; W383-V399 HydrophobicContact CB-CG2 4.24Å; W383-V399 HydrophobicContact CD2-CG1 4.49Å; W383-V399 HydrophobicContact CD2-CG2 3.95Å; W383-V399 HydrophobicContact CE3-CG1 4.1Å; W383-V399 HydrophobicContact CE3-CG2 3.87Å; W383-V399 HydrophobicContact CG-CG2 4.14Å; W383-V399 HydrophobicContact CH2-CG1 4.17Å; W383-V399 HydrophobicContact CZ3-CG1 3.94Å
384	Y	98.4	Very high	97.3	Very high	22 Å²	22	37.8 Å²	37.8	9%	0.086	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.5	177.4	-65.7	-97.9	0	0	0	110.7	I110 Y375 I376 A378 N380 Q382 V391 S392 V393	I110-Y384 HydrophobicContact CB-CE1 4.08Å; I110-Y384 HydrophobicContact CD1-CD1 3.87Å; I110-Y384 HydrophobicContact CD1-CD2 3.42Å; I110-Y384 VanDerWaalsContact CD1-CD2 3.42Å; I110-Y384 HydrophobicContact CD1-CE1 4.06Å; I110-Y384 HydrophobicContact CD1-CE2 3.64Å; I110-Y384 HydrophobicContact CD1-CG 3.54Å; I110-Y384 HydrophobicContact CG1-CD1 3.76Å; I110-Y384 HydrophobicContact CG1-CD2 4.24Å; I110-Y384 HydrophobicContact CG1-CE1 3.83Å; I110-Y384 HydrophobicContact CG1-CE2 4.31Å; I110-Y384 HydrophobicContact CG1-CG 3.96Å; I110-Y384 HydrophobicContact CG2-CE1 4.27Å; Y375-Y384 CarbonylContact C-O 3.47Å; Y375-Y384 VanDerWaalsContact CA-O 3.24Å; Y375-Y384 WeakPolarHBondContact CA-O 3.49Å; I376-Y384 HydrophobicContact CD1-CD2 4.3Å; I376-Y384 PolarHBondContact N-O 3.4Å; I376-Y384 PolarHBondContact O-N 3.06Å; A378-Y384 HydrophobicContact CB-CD2 3.76Å; A378-Y384 HydrophobicContact CB-CE2 3.65Å; N380-Y384 PolarHBondContact ND2-OH 2.88Å; Q382-Y384 HydrophobicContact CB-CD2 4.47Å; Q382-Y384 HydrophobicContact CB-CE2 3.74Å; Q382-Y384 WeakPolarHBondContact O-CD2 3.37Å; Q382-Y384 PolarHBondContact OE1-OH 3.16Å; Q382-Y384 VanDerWaalsContact OE1-OH 3.09Å; Y384-V391 HydrophobicContact CD1-CG1 4.29Å; Y384-S392 CarbonylContact C-O 3.59Å; Y384-S392 WeakPolarHBondContact CA-O 3.35Å; Y384-S392 WeakPolarHBondContact CB-O 3.36Å; Y384-V393 HydrophobicContact CD1-CG2 4.09Å; Y384-V393 HydrophobicContact CE1-CG2 3.66Å
385	Q	98.4	Very high	97.2	Very high	46 Å²	46	40.1 Å²	40.1	22%	0.215	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.6	165	-168.1	178.8	4.7	0	0	109	F373 Y375 N387 V391 S392	F373-Q385 HydrophobicContact CD2-CG 4.08Å; F373-Q385 VanDerWaalsContact CE2-NE2 3.33Å; Y375-Q385 HydrophobicContact CD1-CB 3.79Å; Y375-Q385 HydrophobicContact CD1-CG 4.11Å; Y375-Q385 HydrophobicContact CE1-CB 3.54Å; Y375-Q385 HydrophobicContact CE1-CG 3.63Å; Y375-Q385 HydrophobicContact CE2-CG 4.44Å; Y375-Q385 PolarHBondContact OH-NE2 3.35Å; Q385-N387 HydrophobicContact CG-CB 4.37Å; Q385-V391 WeakPolarHBondContact O-CA 3.41Å; Q385-S392 PolarHBondContact N-O 2.92Å; Q385-S392 PolarHBondContact O-N 3.45Å
386	M	98.3	Very high	97.1	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.02	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	100.1	175.4	-65.6	-72.5	172.9	0	0	107.5	I110 Q128 Y132 C374 I376 V391	I110-M386 HydrophobicContact CD1-CE 3.52Å; I110-M386 HydrophobicContact CG1-CE 3.73Å; Q128-M386 HydrophobicContact CB-CB 4.22Å; Q128-M386 HydrophobicContact CB-CG 4.33Å; Q128-M386 HydrophobicContact CG-CB 4.07Å; Q128-M386 HydrophobicContact CG-CG 4.31Å; Y132-M386 HydrophobicContact CE2-CE 3.62Å; Y132-M386 HydrophobicContact CE2-SD 4.49Å; C374-M386 PolarHBondContact N-O 3.04Å; C374-M386 PolarHBondContact O-N 2.95Å; I376-M386 HydrophobicContact CD1-CE 3.85Å; I376-M386 HydrophobicContact CG1-CE 3.77Å; I376-M386 HydrophobicContact CG1-CG 3.78Å; M386-V391 HydrophobicContact CE-CG1 3.64Å; M386-V391 HydrophobicContact CE-CG2 4.46Å; M386-V391 HydrophobicContact SD-CB 4.26Å; M386-V391 HydrophobicContact SD-CG1 3.76Å; M386-V391 HydrophobicContact SD-CG2 3.64Å
387	N	98.1	Very high	97	Very high	47 Å²	47	50.2 Å²	50.2	25%	0.251	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	87	-174.4	174.8	38.1	0	0	0	108.9	H371 F373 Q385 S389 S390	H371-N387 PolarHBondContact NE2-OD1 2.85Å; F373-N387 HydrophobicContact CB-CB 4Å; Q385-N387 HydrophobicContact CG-CB 4.37Å; N387-S389 PolarHBondContact O-N 2.99Å; N387-S389 VanDerWaalsContact O-N 3.17Å; N387-S390 WeakPolarHBondContact CB-OG 3.41Å; N387-S390 PolarHBondContact N-O 2.71Å; N387-S390 PolarHBondContact ND2-OG 3.32Å; N387-S390 PolarHBondContact O-N 3.25Å; N387-S390 PolarHBondContact O-OG 2.91Å
388	D	97.9	Very high	97	Very high	20 Å²	20	50.3 Å²	50.3	11%	0.107	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.4	-114.9	-167	-70.5	-37.1	0	0	0	112	G113 L114 N116 C121 N124 H371 S390	G113-D388 CarbonylContact C-O 3.58Å; G113-D388 WeakPolarHBondContact CA-O 3.45Å; L114-D388 PolarHBondContact N-O 2.82Å; L114-D388 CarbonylContact O-C 3.6Å; L114-D388 WeakPolarHBondContact O-CA 3.25Å; L114-D388 WeakPolarHBondContact O-CB 3.17Å; N116-D388 HydrophobicContact CB-CB 4.21Å; N116-D388 WeakPolarHBondContact CB-OD2 3.39Å; N116-D388 PolarHBondContact ND2-OD2 2.69Å; C121-D388 WeakPolarHBondContact CA-OD1 3.35Å; N124-D388 WeakPolarHBondContact CB-OD1 3.45Å; N124-D388 PolarHBondContact ND2-OD1 2.91Å; H371-D388 IonicContact CE1-OD2 2.63Å; H371-D388 PolarHBondContact CE1-OD2 3.09Å; H371-D388 VanDerWaalsContact CE1-OD2 3.29Å; D388-S390 VanDerWaalsContact C-N 3.28Å; D388-S390 PolarHBondContact O-N 2.92Å
389	S	97.8	Very high	97.1	Very high	64 Å²	64	50 Å²	50	45%	0.448	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.2	-179	51.4	0	0	0	0	113.9	L114 V174 N387	L114-S389 PolarHBondContact O-N 3.36Å; L114-S389 VanDerWaalsContact O-N 3.17Å; V174-S389 WeakPolarHBondContact CG2-O 3.44Å; N387-S389 PolarHBondContact O-N 2.99Å; N387-S389 VanDerWaalsContact O-N 3.17Å
390	S	97.4	Very high	97.2	Very high	53 Å²	53	51.2 Å²	51.2	37%	0.371	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.1	178.7	63.2	0	0	0	0	111.5	N387 D388	N387-S390 WeakPolarHBondContact CB-OG 3.41Å; N387-S390 PolarHBondContact N-O 2.71Å; N387-S390 PolarHBondContact ND2-OG 3.32Å; N387-S390 PolarHBondContact O-N 3.25Å; N387-S390 PolarHBondContact O-OG 2.91Å; D388-S390 VanDerWaalsContact C-N 3.28Å; D388-S390 PolarHBondContact O-N 2.92Å
391	V	97.8	Very high	97.3	Very high	51 Å²	51	53 Å²	53	31%	0.309	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	119.1	175.6	-176.7	0	0	0	0	107.7	I110 Y384 Q385 M386	I110-V391 HydrophobicContact CG1-CG1 3.76Å; Y384-V391 HydrophobicContact CD1-CG1 4.29Å; Q385-V391 WeakPolarHBondContact O-CA 3.41Å; M386-V391 HydrophobicContact CE-CG1 3.64Å; M386-V391 HydrophobicContact CE-CG2 4.46Å; M386-V391 HydrophobicContact SD-CB 4.26Å; M386-V391 HydrophobicContact SD-CG1 3.76Å; M386-V391 HydrophobicContact SD-CG2 3.64Å
392	S	97.2	Very high	97.4	Very high	51 Å²	51	53.1 Å²	53.1	36%	0.357	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	151.7	-178.6	57.2	0	0	0	0	111.3	Y384 Q385	Y384-S392 CarbonylContact C-O 3.59Å; Y384-S392 WeakPolarHBondContact CA-O 3.35Å; Y384-S392 WeakPolarHBondContact CB-O 3.36Å; Q385-S392 PolarHBondContact N-O 2.92Å; Q385-S392 PolarHBondContact O-N 3.45Å
393	V	97.6	Very high	97.2	Very high	97 Å²	97	51.6 Å²	51.6	59%	0.588	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	149.7	172.6	-178.9	0	0	0	0	109.4	Y384	Y384-V393 HydrophobicContact CD1-CG2 4.09Å; Y384-V393 HydrophobicContact CE1-CG2 3.66Å
394	S	97.6	Very high	97.1	Very high	25 Å²	25	51 Å²	51	18%	0.175	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	162.7	176.3	-67.4	0	0	0	0	111	Y375 W383	Y375-S394 WeakPolarHBondContact CE1-OG 3.34Å; W383-S394 WeakPolarHBondContact CB-O 3.21Å; W383-S394 PolarHBondContact O-N 2.8Å; W383-S394 VanDerWaalsContact O-O 3.14Å
395	D	96.5	Very high	97.1	Very high	50 Å²	50	50.3 Å²	50.3	27%	0.267	27%	0.274	S	S	.	.			trans	-106.2	154.9	173.5	83.5	-55.4	0	0	0	111.9	R397 S398 V399	D395-R397 PolarHBondContact O-N 3.41Å; D395-R397 VanDerWaalsContact O-N 3.15Å; D395-R397 WeakPolarHBondContact OD2-CB 3.39Å; D395-R397 IonicContact OD2-CZ 3.61Å; D395-R397 PolarHBondContact OD2-N 3.29Å; D395-R397 IonicContact OD2-NE 3.13Å; D395-R397 PolarHBondContact OD2-NE 3.18Å; D395-R397 IonicContact OD2-NH2 2.79Å; D395-R397 PolarHBondContact OD2-NH2 3.11Å; D395-S398 WeakPolarHBondContact O-CB 3.38Å; D395-S398 PolarHBondContact O-N 2.98Å; D395-S398 WeakPolarHBondContact OD1-CB 3.2Å; D395-S398 PolarHBondContact OD1-N 2.94Å; D395-S398 PolarHBondContact OD1-OG 3.17Å; D395-V399 WeakPolarHBondContact O-CG2 3.47Å; D395-V399 PolarHBondContact O-N 2.83Å; D395-V399 VanDerWaalsContact O-N 3.12Å
396	I	97	Very high	97.1	Very high	44 Å²	44	48.1 Å²	48.1	23%	0.226	26%	0.263	C	S	.	.	H	α-helix	trans	-56.9	-32.4	-177.8	-178.9	62.7	0	0	0	112.8	E336 W383 V399 L400	E336-I396 HydrophobicContact CB-CD1 4.08Å; E336-I396 HydrophobicContact CB-CG1 4.44Å; E336-I396 HydrophobicContact CG-CD1 3.96Å; E336-I396 HydrophobicContact CG-CG1 4.49Å; W383-I396 HydrophobicContact CZ2-CD1 3.87Å; I396-V399 HydrophobicContact CD1-CB 4.44Å; I396-V399 WeakPolarHBondContact O-CB 3.13Å; I396-V399 PolarHBondContact O-N 2.88Å; I396-L400 HydrophobicContact CD1-CD1 4.08Å; I396-L400 HydrophobicContact CD1-CD2 3.99Å; I396-L400 HydrophobicContact CD1-CG 3.74Å; I396-L400 HydrophobicContact CG1-CD1 3.86Å; I396-L400 HydrophobicContact CG1-CG 3.97Å; I396-L400 WeakPolarHBondContact O-CG 3.37Å; I396-L400 PolarHBondContact O-N 3.27Å
397	R	96.8	Very high	97.1	Very high	180 Å²	180	47.9 Å²	47.9	68%	0.679	26%	0.262	S	S	*	.	H	α-helix	trans	-69.6	-37.6	178.8	-53.2	169.2	-61.8	165.3	8.2	111.4	D395 V399 N401	D395-R397 PolarHBondContact O-N 3.41Å; D395-R397 VanDerWaalsContact O-N 3.15Å; D395-R397 WeakPolarHBondContact OD2-CB 3.39Å; D395-R397 IonicContact OD2-CZ 3.61Å; D395-R397 PolarHBondContact OD2-N 3.29Å; D395-R397 IonicContact OD2-NE 3.13Å; D395-R397 PolarHBondContact OD2-NE 3.18Å; D395-R397 IonicContact OD2-NH2 2.79Å; D395-R397 PolarHBondContact OD2-NH2 3.11Å; R397-V399 VanDerWaalsContact C-N 3.29Å; R397-N401 PolarHBondContact O-N 3.24Å; R397-N401 PolarHBondContact O-ND2 3.5Å
398	S	96.4	Very high	97.1	Very high	55 Å²	55	45.7 Å²	45.7	39%	0.385	25%	0.25	S	S	.	.	H	α-helix	trans	-64.3	-35.3	171.1	-63.1	0	0	0	0	111.7	D395 Q402	D395-S398 WeakPolarHBondContact O-CB 3.38Å; D395-S398 PolarHBondContact O-N 2.98Å; D395-S398 WeakPolarHBondContact OD1-CB 3.2Å; D395-S398 PolarHBondContact OD1-N 2.94Å; D395-S398 PolarHBondContact OD1-OG 3.17Å; S398-Q402 WeakPolarHBondContact O-CG 3.45Å; S398-Q402 PolarHBondContact O-NE2 3.24Å
399	V	97.4	Very high	97.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.7	-44.4	176.6	177.9	0	0	0	0	112.5	Y334 V359 Y375 W383 D395 I396 R397 N401 Q402	Y334-V399 PolarHBondContact OH-O 2.76Å; V359-V399 HydrophobicContact CB-CG1 4.25Å; V359-V399 HydrophobicContact CG2-CG1 3.59Å; Y375-V399 HydrophobicContact CD1-CG2 3.71Å; Y375-V399 HydrophobicContact CE1-CG2 4.46Å; Y375-V399 HydrophobicContact CG-CG1 4.46Å; Y375-V399 HydrophobicContact CG-CG2 3.83Å; W383-V399 HydrophobicContact CB-CG2 4.24Å; W383-V399 HydrophobicContact CD2-CG1 4.49Å; W383-V399 HydrophobicContact CD2-CG2 3.95Å; W383-V399 HydrophobicContact CE3-CG1 4.1Å; W383-V399 HydrophobicContact CE3-CG2 3.87Å; W383-V399 HydrophobicContact CG-CG2 4.14Å; W383-V399 HydrophobicContact CH2-CG1 4.17Å; W383-V399 HydrophobicContact CZ3-CG1 3.94Å; D395-V399 WeakPolarHBondContact O-CG2 3.47Å; D395-V399 PolarHBondContact O-N 2.83Å; D395-V399 VanDerWaalsContact O-N 3.12Å; I396-V399 HydrophobicContact CD1-CB 4.44Å; I396-V399 WeakPolarHBondContact O-CB 3.13Å; I396-V399 PolarHBondContact O-N 2.88Å; R397-V399 VanDerWaalsContact C-N 3.29Å; V399-N401 PolarHBondContact O-N 2.96Å; V399-Q402 WeakPolarHBondContact O-CG 3.43Å; V399-Q402 PolarHBondContact O-N 3.43Å
400	L	97.4	Very high	97.1	Very high	43 Å²	43	42.6 Å²	42.6	23%	0.225	23%	0.229	C	C	.	.	H	α-helix	trans	-74.7	-9.4	-177.5	-64.4	-179.4	0	0	0	114.3	Y334 E336 L356 I396	Y334-L400 HydrophobicContact CD2-CD2 3.75Å; Y334-L400 HydrophobicContact CE2-CD2 3.75Å; E336-L400 HydrophobicContact CB-CD1 4.48Å; L356-L400 HydrophobicContact CD2-CD2 3.81Å; I396-L400 HydrophobicContact CD1-CD1 4.08Å; I396-L400 HydrophobicContact CD1-CD2 3.99Å; I396-L400 HydrophobicContact CD1-CG 3.74Å; I396-L400 HydrophobicContact CG1-CD1 3.86Å; I396-L400 HydrophobicContact CG1-CG 3.97Å; I396-L400 WeakPolarHBondContact O-CG 3.37Å; I396-L400 PolarHBondContact O-N 3.27Å
401	N	96.1	Very high	97	Very high	106 Å²	106	41.9 Å²	41.9	57%	0.567	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.1	9	176.8	-76.7	-46.9	0	0	0	114.1	K333 R397 V399	K333-N401 PolarHBondContact NZ-OD1 3.48Å; R397-N401 PolarHBondContact O-N 3.24Å; R397-N401 PolarHBondContact O-ND2 3.5Å; V399-N401 PolarHBondContact O-N 2.96Å
402	Q	95.8	Very high	96.4	Very high	43 Å²	43	43.2 Å²	43.2	20%	0.201	23%	0.228	C	C	.	.	S	Bend	trans	-84.5	154.8	-179.2	-58.6	-63.7	-41.1	0	0	113	Y334 V361 Y375 S398 V399 A404	Y334-Q402 WeakPolarHBondContact OH-CB 3.08Å; Y334-Q402 PolarHBondContact OH-N 3.39Å; Y334-Q402 PolarHBondContact OH-O 3.14Å; V361-Q402 HydrophobicContact CG1-CB 4.43Å; V361-Q402 HydrophobicContact CG2-CB 3.74Å; V361-Q402 HydrophobicContact CG2-CG 4.17Å; Y375-Q402 HydrophobicContact CD2-CG 4.02Å; Y375-Q402 HydrophobicContact CE2-CG 3.48Å; Y375-Q402 VanDerWaalsContact CE2-CG 3.48Å; Y375-Q402 PolarHBondContact OH-NE2 2.9Å; S398-Q402 WeakPolarHBondContact O-CG 3.45Å; S398-Q402 PolarHBondContact O-NE2 3.24Å; V399-Q402 WeakPolarHBondContact O-CG 3.43Å; V399-Q402 PolarHBondContact O-N 3.43Å; Q402-A404 PolarHBondContact O-N 3.33Å
403	Q	93.9	Very high	95	Very high	70 Å²	70	43.3 Å²	43.3	33%	0.327	23%	0.229	S	C	.	.			trans	-74.8	65.9	165.8	-67.2	-177.2	13.9	0	0	110.7	T329 Y405	T329-Q403 PolarHBondContact O-NE2 3.07Å; Q403-Y405 PolarHBondContact O-N 3.07Å
404	A	96.3	Very high	93	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51	135.3	178.2	0	0	0	0	0	111.6	R319 Y334 V359 Q402 L407	R319-A404 VanDerWaalsContact CZ-O 3.26Å; R319-A404 PolarHBondContact NE-O 3.16Å; R319-A404 PolarHBondContact NH2-O 3.13Å; Y334-A404 HydrophobicContact CD1-CB 3.97Å; Y334-A404 HydrophobicContact CE1-CB 3.32Å; V359-A404 HydrophobicContact CG1-CB 3.53Å; Q402-A404 PolarHBondContact O-N 3.33Å; A404-L407 HydrophobicContact CB-CD2 3.61Å; A404-L407 HydrophobicContact CB-CG 4.03Å
405	Y	96.9	Very high	90.4	Very high	7 Å²	7	49 Å²	49	3%	0.027	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-45.3	177.3	178	-127.1	0	0	0	111.3	D198 A199 H200 L317 R319 F320 L360 H362 Y372 Q403	D198-Y405 VanDerWaalsContact CG-OH 3.28Å; D198-Y405 PolarHBondContact OD1-OH 2.99Å; D198-Y405 PolarHBondContact OD2-OH 3.35Å; A199-Y405 HydrophobicContact CB-CE1 4.49Å; H200-Y405 HydrophobicContact CB-CE1 3.85Å; H200-Y405 WeakPolarHBondContact CB-OH 3.36Å; L317-Y405 PolarHBondContact N-O 2.86Å; L317-Y405 WeakPolarHBondContact O-CD2 3.5Å; L317-Y405 WeakPolarHBondContact O-CE2 3.22Å; R319-Y405 HydrophobicContact CB-CD2 4.16Å; R319-Y405 HydrophobicContact CB-CE2 4.37Å; R319-Y405 HydrophobicContact CG-CD2 4.3Å; F320-Y405 HydrophobicContact CD2-CE2 4.05Å; F320-Y405 HydrophobicContact CE2-CE1 4.14Å; F320-Y405 AromaticContact CE2-CE2 3.82Å; F320-Y405 HydrophobicContact CE2-CE2 3.82Å; F320-Y405 AromaticContact CE2-CZ 3.63Å; L360-Y405 HydrophobicContact CD2-CD1 3.99Å; L360-Y405 PolarHBondContact O-N 3.08Å; H362-Y405 HydrophobicContact CB-CG 4.49Å; Y372-Y405 HydrophobicContact CD1-CD1 4.49Å; Y372-Y405 AromaticContact CE1-CD1 3.83Å; Y372-Y405 HydrophobicContact CE1-CD1 3.83Å; Y372-Y405 HydrophobicContact CE1-CE1 4.04Å; Q403-Y405 PolarHBondContact O-N 3.07Å
406	V	98.4	Very high	88	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135	167.8	-170.6	0	0	0	0	109.2	H200 L203 T314 L315 L360 F408	H200-V406 HydrophobicContact CB-CG2 3.89Å; L203-V406 HydrophobicContact CD2-CG1 4.03Å; T314-V406 HydrophobicContact CG2-CG1 3.76Å; L315-V406 WeakPolarHBondContact O-CA 3.39Å; L360-V406 HydrophobicContact CB-CB 4.09Å; L360-V406 PolarHBondContact N-O 2.89Å; L360-V406 PolarHBondContact O-N 3.27Å; L360-V406 VanDerWaalsContact O-N 3.16Å; V406-F408 HydrophobicContact CB-CE2 4.12Å; V406-F408 HydrophobicContact CG1-CD2 4.37Å; V406-F408 HydrophobicContact CG1-CE2 3.74Å; V406-F408 HydrophobicContact CG1-CZ 3.91Å
407	L	98.7	Very high	85.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.3	179.7	-66.3	164.8	0	0	0	109.8	V270 L315 L317 Y334 L356 V359 A404 Y409	V270-L407 HydrophobicContact CG2-CD1 3.63Å; L315-L407 HydrophobicContact CB-CB 4.36Å; L315-L407 PolarHBondContact N-O 3.15Å; L315-L407 PolarHBondContact O-N 3.32Å; L317-L407 HydrophobicContact CD1-CD1 4.16Å; L317-L407 HydrophobicContact CG-CD1 4.47Å; Y334-L407 HydrophobicContact CD1-CD1 4.08Å; Y334-L407 HydrophobicContact CD1-CD2 4.09Å; Y334-L407 HydrophobicContact CD2-CD2 3.66Å; Y334-L407 HydrophobicContact CE1-CD2 4.3Å; Y334-L407 HydrophobicContact CE2-CD2 3.86Å; Y334-L407 HydrophobicContact CG-CD1 3.87Å; Y334-L407 HydrophobicContact CG-CD2 3.79Å; L356-L407 HydrophobicContact CD1-CB 4.37Å; L356-L407 HydrophobicContact CD1-CD2 3.93Å; V359-L407 HydrophobicContact CB-CD2 4.36Å; V359-L407 HydrophobicContact CG1-CD2 3.98Å; V359-L407 HydrophobicContact CG2-CD2 3.88Å; A404-L407 HydrophobicContact CB-CD2 3.61Å; A404-L407 HydrophobicContact CB-CG 4.03Å; L407-Y409 HydrophobicContact CB-CD2 4.22Å; L407-Y409 HydrophobicContact CB-CE2 3.81Å; L407-Y409 HydrophobicContact CD1-CE2 4.28Å
408	F	98.7	Very high	82.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.3	178.6	-59	-102.3	0	0	0	110.3	C129 L203 T314 Y357 A358 L360 V406	C129-F408 HydrophobicContact CB-CD2 4.01Å; C129-F408 HydrophobicContact CB-CE1 4.24Å; C129-F408 HydrophobicContact CB-CE2 3.5Å; C129-F408 HydrophobicContact CB-CZ 3.61Å; L203-F408 HydrophobicContact CD1-CE1 4.17Å; L203-F408 HydrophobicContact CD1-CZ 4.05Å; L203-F408 HydrophobicContact CD2-CE1 3.94Å; L203-F408 HydrophobicContact CD2-CZ 3.55Å; L203-F408 HydrophobicContact CG-CZ 4.46Å; T314-F408 HydrophobicContact CG2-CD1 4.2Å; T314-F408 HydrophobicContact CG2-CE1 3.9Å; T314-F408 HydrophobicContact CG2-CZ 4.39Å; Y357-F408 HydrophobicContact CD1-CB 4.25Å; Y357-F408 VanDerWaalsContact CD1-O 3.31Å; Y357-F408 WeakPolarHBondContact CD1-O 3.5Å; Y357-F408 HydrophobicContact CE1-CB 3.57Å; Y357-F408 HydrophobicContact CE2-CB 4.16Å; Y357-F408 PolarHBondContact N-O 3.13Å; A358-F408 HydrophobicContact CB-CB 3.99Å; A358-F408 HydrophobicContact CB-CD2 3.92Å; A358-F408 HydrophobicContact CB-CG 4.2Å; A358-F408 PolarHBondContact N-O 2.74Å; A358-F408 PolarHBondContact O-N 3.29Å; L360-F408 HydrophobicContact CB-CE2 4.33Å; V406-F408 HydrophobicContact CB-CE2 4.12Å; V406-F408 HydrophobicContact CG1-CD2 4.37Å; V406-F408 HydrophobicContact CG1-CE2 3.74Å; V406-F408 HydrophobicContact CG1-CZ 3.91Å
409	Y	98.4	Very high	79.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	142.7	-176.8	-78.5	-83.6	0	0	0	109.6	V312 L313 L315 P335 L338 G355 L356 L407	V312-Y409 CarbonylContact C-O 3.6Å; V312-Y409 WeakPolarHBondContact CA-O 3.44Å; L313-Y409 PolarHBondContact N-O 3.33Å; L313-Y409 PolarHBondContact O-N 3.08Å; L315-Y409 HydrophobicContact CD1-CD2 4.13Å; L315-Y409 HydrophobicContact CD1-CE2 4.04Å; P335-Y409 PolarHBondContact O-OH 2.8Å; L338-Y409 HydrophobicContact CB-CD1 3.87Å; L338-Y409 HydrophobicContact CB-CE1 3.48Å; L338-Y409 VanDerWaalsContact CB-CE1 3.48Å; L338-Y409 HydrophobicContact CD2-CD1 4.44Å; L338-Y409 HydrophobicContact CD2-CD2 4.14Å; L338-Y409 HydrophobicContact CD2-CE1 4.26Å; L338-Y409 HydrophobicContact CD2-CE2 3.93Å; L338-Y409 HydrophobicContact CD2-CG 4.38Å; G355-Y409 CarbonylContact O-C 3.58Å; G355-Y409 WeakPolarHBondContact O-CA 3.22Å; L356-Y409 HydrophobicContact CB-CD1 4.03Å; L356-Y409 HydrophobicContact CB-CE1 3.74Å; L356-Y409 HydrophobicContact CD1-CD1 4.17Å; L356-Y409 HydrophobicContact CD1-CD2 4.15Å; L356-Y409 HydrophobicContact CD1-CE1 3.8Å; L356-Y409 HydrophobicContact CD1-CE2 3.79Å; L356-Y409 HydrophobicContact CD1-CG 4.34Å; L356-Y409 HydrophobicContact CG-CE1 4.35Å; L407-Y409 HydrophobicContact CB-CD2 4.22Å; L407-Y409 HydrophobicContact CB-CE2 3.81Å; L407-Y409 HydrophobicContact CD1-CE2 4.28Å
410	I	97.4	Very high	76.8	Confident	19 Å²	19	69.8 Å²	69.8	10%	0.097	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.2	176.8	-170.2	164.1	0	0	0	110.9	L102 P134 P135 V312 Y354 G355 Y357	L102-I410 HydrophobicContact CB-CD1 4.37Å; L102-I410 VanDerWaalsContact O-CD1 3.27Å; L102-I410 WeakPolarHBondContact O-CD1 3.25Å; P134-I410 HydrophobicContact CB-CD1 4.41Å; P134-I410 HydrophobicContact CG-CD1 4.02Å; P135-I410 HydrophobicContact CG-CD1 4.32Å; V312-I410 HydrophobicContact CG2-CB 4.44Å; V312-I410 HydrophobicContact CG2-CD1 3.92Å; V312-I410 HydrophobicContact CG2-CG1 3.99Å; Y354-I410 CarbonylContact C-O 3.57Å; Y354-I410 WeakPolarHBondContact CA-O 3.4Å; G355-I410 PolarHBondContact N-O 3.11Å; G355-I410 PolarHBondContact O-N 2.95Å; Y357-I410 HydrophobicContact CD1-CB 3.79Å; Y357-I410 HydrophobicContact CD1-CG2 3.7Å; Y357-I410 HydrophobicContact CE1-CB 3.96Å; Y357-I410 HydrophobicContact CE1-CG2 4.37Å; Y357-I410 HydrophobicContact CG-CG2 4.32Å
411	K	94.7	Very high	73.7	Confident	39 Å²	39	77.9 Å²	77.9	17%	0.17	41%	0.411	C	S	.	.			trans	-61.7	129.5	171.6	-69	-177.2	-173	157.2	0	109.2	L102 S309 P310 N311 Y354 C413	L102-K411 HydrophobicContact CD1-CB 4.24Å; S309-K411 PolarHBondContact O-NZ 2.75Å; S309-K411 WeakPolarHBondContact OG-CE 3.28Å; S309-K411 PolarHBondContact OG-NZ 3.05Å; P310-K411 WeakPolarHBondContact O-CE 3.39Å; N311-K411 PolarHBondContact O-N 3.35Å; N311-K411 PolarHBondContact OD1-NZ 3.16Å; Y354-K411 HydrophobicContact CD1-CG 4.03Å; Y354-K411 HydrophobicContact CE1-CG 3.54Å; Y354-K411 HydrophobicContact CE2-CG 4.19Å; Y354-K411 WeakPolarHBondContact OH-CE 3.35Å; K411-C413 PolarHBondContact O-N 3.49Å
412	P	86.1	Confident	70.5	Confident	78 Å²	78	78.2 Å²	78.2	51%	0.506	42%	0.422	S	S	.	.			trans	-63.4	129.5	167.1	29.3	-31.1	0	0	0	108	I353 N414	I353-P412 WeakPolarHBondContact O-CD 3.13Å; P412-N414 PolarHBondContact O-N 3.17Å
413	C	68	Low	67.4	Low	53 Å²	53	83.5 Å²	83.5	36%	0.358	45%	0.452	S	S	.	.			trans	-60.7	105.2	174.7	155.7	0	0	0	0	109.3	L102 K103 K411 V415	L102-C413 HydrophobicContact CB-CB 4.42Å; K103-C413 HydrophobicContact CD-CB 3.81Å; K103-C413 HydrophobicContact CG-CB 3.98Å; K103-C413 PolarHBondContact NZ-O 3.02Å; K103-C413 VanDerWaalsContact NZ-O 3.12Å; K103-C413 PolarHBondContact NZ-SG 3.37Å; K103-C413 VanDerWaalsContact NZ-SG 3.43Å; K411-C413 PolarHBondContact O-N 3.49Å; C413-V415 PolarHBondContact O-N 3.23Å
414	N	54	Low	64.3	Low	125 Å²	125	86.7 Å²	86.7	67%	0.668	48%	0.475	S	S	*	.			trans	-82.9	105	-176.2	-166.6	-1.9	0	0	0	108.8	P412 K416	P412-N414 PolarHBondContact O-N 3.17Å; N414-K416 PolarHBondContact O-N 3.28Å
415	V	43	Very low	61	Low	116 Å²	116	91.4 Å²	91.4	70%	0.703	51%	0.509	S	S	*	.			trans	-79.5	29.9	-169.7	-154.8	0	0	0	0	112.1	C413	C413-V415 PolarHBondContact O-N 3.23Å
416	K	46.6	Very low	58	Low	181 Å²	181	99.7 Å²	99.7	79%	0.787	55%	0.547	S	S	*	.			trans	-123.1	68.7	-174.8	-70	-168.7	175.5	-172.3	0	111.5	N414	N414-K416 PolarHBondContact O-N 3.28Å
417	K	40.3	Very low	54.8	Low	194 Å²	194	106.6 Å²	106.6	84%	0.843	58%	0.584	S	S	*	*			trans	-170.4	67.3	150.2	-108	174.7	-176.3	-169.5	0	111.2
418	T	37	Very low	51.9	Low	148 Å²	148	113.1 Å²	113.1	91%	0.908	63%	0.627	S	S	*	*	S	Bend	trans	-145.2	54.7	170	-42.7	0	0	0	0	108.8
419	G	40.5	Very low	48.4	Very low	71 Å²	71	116.5 Å²	116.5	73%	0.732	66%	0.661	S	S	*	*	S	Bend	trans	-177.6	41.6	-169.4	0	0	0	0	0	112.9
420	E	35.4	Very low	45.1	Very low	172 Å²	172	125.5 Å²	125.5	80%	0.804	71%	0.705	S	S	*	*			trans	-161.4	61.6	171.2	-122	163.7	-138.3	0	0	110.9
421	F	30.5	Very low	41.7	Very low	214 Å²	214	130.2 Å²	130.2	94%	0.939	74%	0.74	S	S	*	*			trans	-135.1	87.6	155.8	-91.1	-71.4	0	0	0	106.9
422	S	29.8	Very low	38.5	Very low	113 Å²	113	132 Å²	132	79%	0.79	77%	0.77	S	S	*	*			trans	-71.7	142.2	179.9	-59.9	0	0	0	0	110.8	V424	S422-V424 PolarHBondContact O-N 3.45Å
423	N	29.9	Very low	35.8	Very low	154 Å²	154	137.2 Å²	137.2	82%	0.824	79%	0.787	S	S	*	*			trans	-59.5	135.2	-177.3	-60.3	-43.6	0	0	0	112.4
424	V	29.5	Very low	33.9	Very low	136 Å²	136	140.6 Å²	140.6	82%	0.824	81%	0.812	S	S	*	*			trans	-104.3	106.8	147.8	178.5	0	0	0	0	106.8	S422	S422-V424 PolarHBondContact O-N 3.45Å
425	S	28	Very low	32.7	Very low	100 Å²	100	139.8 Å²	139.8	70%	0.699	82%	0.816	S	S	*	*			trans	-154.5	114.4	172	-70.6	0	0	0	0	108.3
426	H	33.3	Very low	32.4	Very low	181 Å²	181	140.2 Å²	140.2	84%	0.838	82%	0.821	S	S	*	*			trans	-81.1	127	171.6	-79.8	-93.6	0	0	0	109.5
427	N	31.2	Very low	31.5	Very low	144 Å²	144	142.9 Å²	142.9	77%	0.77	83%	0.826	S	S	*	*			trans	-77.1	158.9	159.5	-72.4	-7.8	0	0	0	109.5
428	P	38.7	Very low	31.7	Very low	138 Å²	138	139.2 Å²	139.2	90%	0.896	82%	0.822	S	S	*	*				-137.1	146.6	99.9	37.1	-26.7	0	0	0	114.1
429	G	24.5	Very low	31.1	Very low	70 Å²	70	139.3 Å²	139.3	72%	0.722	82%	0.822	S	S	*	*			trans	159	131.5	174.8	0	0	0	0	0	112.3
430	M	28.8	Very low	30.6	Very low	189 Å²	189	142 Å²	142	93%	0.931	82%	0.824	S	S	*	*			trans	-98.7	167.6	176.1	-39.5	-178	73.6	0	0	109.3
431	S	26.3	Very low	30.4	Very low	118 Å²	118	140 Å²	140	83%	0.825	82%	0.824	S	S	*	*			cis	-155.9	164.9	2.6	59.2	0	0	0	0	108.5
432	G	26.6	Very low	30.8	Very low	78 Å²	78	134.8 Å²	134.8	80%	0.804	81%	0.812	S	S	*	*			trans	163.7	112.5	172.9	0	0	0	0	0	115
433	Q	29.8	Very low	30.7	Very low	186 Å²	186	139.9 Å²	139.9	87%	0.869	81%	0.814	S	S	*	*			trans	-65.9	169.6	-165.7	-57.6	178.3	-0	0	0	118.2
434	S	28.1	Very low	30.6	Very low	125 Å²	125	139.2 Å²	139.2	87%	0.874	81%	0.809	S	S	*	*			trans	91.2	124.4	150.9	76.2	0	0	0	0	120.1
435	S	30.1	Very low	30.4	Very low	107 Å²	107	140.7 Å²	140.7	75%	0.748	81%	0.806	S	S	*	*			trans	-115.6	161.5	164.7	-172.4	0	0	0	0	107.5
436	P	36.5	Very low	30.2	Very low	125 Å²	125	141.3 Å²	141.3	81%	0.812	81%	0.806	S	S	*	*				-152.6	152.4	103.8	37.2	-20.2	0	0	0	117.2
437	R	26.8	Very low	29.8	Very low	237 Å²	237	137.3 Å²	137.3	89%	0.894	80%	0.804	S	S	*	*			trans	-159.5	163.6	152	-85.7	-161.7	179.6	-151.7	0.2	108.1
438	P	43.9	Very low	29.8	Very low	117 Å²	117	136.3 Å²	136.3	76%	0.76	80%	0.803	S	S	*	*			cis	-129.6	167.3	-35.7	38.6	-24.8	0	0	0	112.1
439	V	25	Very low	29.4	Very low	150 Å²	150	137 Å²	137	91%	0.909	79%	0.794	S	S	*	*			trans	-139.2	154.6	170.7	-174.3	0	0	0	0	111.2
440	V	29.4	Very low	29.9	Very low	128 Å²	128	141.3 Å²	141.3	78%	0.776	80%	0.795	S	S	*	*			trans	-105.2	156.5	-175	175.3	0	0	0	0	111.7
441	T	31.6	Very low	29.7	Very low	129 Å²	129	135.3 Å²	135.3	79%	0.791	78%	0.781	S	S	*	*			trans	-50.9	152.3	176.7	-13.5	0	0	0	0	114.7
442	P	39.6	Very low	30	Very low	106 Å²	106	136.4 Å²	136.4	69%	0.688	78%	0.778	S	S	*	*				-154.7	159.3	104.6	38.4	-20.5	0	0	0	119.2
443	R	27.3	Very low	30.3	Very low	220 Å²	220	139 Å²	139	83%	0.83	78%	0.778	S	S	*	*			trans	63.8	115.7	143.4	-75.8	-179.1	170.6	125.2	-1.1	124.1
444	I	28.2	Very low	30.3	Very low	140 Å²	140	133 Å²	133	72%	0.718	77%	0.767	S	S	*	*				39.9	123.8	112.7	-56.1	167.7	0	0	0	118.9
445	H	25.5	Very low	30.3	Very low	166 Å²	166	136.8 Å²	136.8	77%	0.769	77%	0.768	S	S	*	*				-167.2	134.7	124.3	-117.9	-88.5	0	0	0	116.9
446	T	24.1	Very low	30.3	Very low	113 Å²	113	139.3 Å²	139.3	69%	0.693	77%	0.771	S	S	*	*			trans	28.2	131.1	148.5	48.4	0	0	0	0	126.4
447	A	24.6	Very low	29.9	Very low	98 Å²	98	136.1 Å²	136.1	81%	0.81	76%	0.761	S	S	*	*				92.7	164.5	124.7	0	0	0	0	0	122.4
448	V	30.8	Very low	30.3	Very low	123 Å²	123	130.4 Å²	130.4	75%	0.745	76%	0.755	S	S	*	*			trans	-127.2	172.1	-164.3	172.6	0	0	0	0	109.4
449	H	30.4	Very low	29.4	Very low	151 Å²	151	133 Å²	133	70%	0.699	76%	0.757	S	S	*	*			trans	127.1	153.2	155.2	-69.3	-64	0	0	0	114
450	H	34.5	Very low	29.4	Very low	161 Å²	161	133 Å²	133	75%	0.745	75%	0.751	S	S	*	*			cis	-155.2	165.7	-0.1	-126.2	135.9	0	0	0	112.3
451	G	25.3	Very low	29.9	Very low	63 Å²	63	132 Å²	132	65%	0.649	75%	0.747	S	S	*	*			trans	148.5	123.2	147.6	0	0	0	0	0	113.9
452	N	32.1	Very low	31.1	Very low	141 Å²	141	131.1 Å²	131.1	75%	0.754	74%	0.744	S	S	*	*	S	Bend	cis	-159.9	154.8	-11.9	-100.3	-21	0	0	0	105.9
453	T	31.9	Very low	30.4	Very low	132 Å²	132	133.9 Å²	133.9	81%	0.81	75%	0.747	S	S	*	*			cis	-152.1	175.2	2	3.6	0	0	0	0	106.3
454	G	30.1	Very low	30.3	Very low	61 Å²	61	130.7 Å²	130.7	63%	0.629	74%	0.743	S	S	*	*			cis	129	140.9	9.2	0	0	0	0	0	110.4
455	F	27.8	Very low	30.2	Very low	204 Å²	204	128.7 Å²	128.7	90%	0.895	74%	0.738	S	S	*	*			trans	62.2	171.5	-166.5	-98	-123.4	0	0	0	112.9
456	I	30.9	Very low	30.3	Very low	160 Å²	160	129.4 Å²	129.4	82%	0.821	74%	0.739	S	S	*	*			cis	-119.2	171.3	6	-45.7	161.5	0	0	0	109.5
457	G	27.4	Very low	30.2	Very low	58 Å²	58	131 Å²	131	60%	0.598	74%	0.743	S	S	*	*			trans	-108.8	-162.9	172	0	0	0	0	0	114
458	P	35.1	Very low	30.2	Very low	117 Å²	117	131.7 Å²	131.7	76%	0.76	74%	0.737	S	S	*	*			cis	-134	167.4	2.9	43.3	-28.2	0	0	0	116.3
459	Q	24.9	Very low	30	Very low	173 Å²	173	133 Å²	133	81%	0.808	74%	0.739	S	S	*	*			trans	60.1	146.4	143.2	-99.1	-179.9	-6.6	0	0	124.7
460	L	26.6	Very low	29.8	Very low	148 Å²	148	134 Å²	134	78%	0.775	74%	0.744	S	S	*	*			trans	79.5	124.2	149.8	-67.7	162.6	0	0	0	121.9
461	P	40.1	Very low	29.5	Very low	109 Å²	109	131.4 Å²	131.4	71%	0.708	74%	0.739	S	S	*	*			trans	-102.8	-172.7	155.1	41.9	-33.7	0	0	0	111.1
462	P	55.1	Low	29.5	Very low	110 Å²	110	136.2 Å²	136.2	71%	0.714	75%	0.75	S	S	*	*			cis	-115	-118.2	-14.8	36.3	-17.6	0	0	0	109.6
463	H	26	Very low	29.2	Very low	163 Å²	163	133 Å²	133	76%	0.755	75%	0.749	S	S	*	*			trans	60.6	149.7	155.7	93	-43.5	0	0	0	118.8
464	M	24.3	Very low	28.8	Very low	154 Å²	154	134.7 Å²	134.7	76%	0.759	75%	0.754	S	S	*	*			cis	-138.1	-174.8	-5.5	-67	-176.3	77.7	0	0	107.8
465	T	27.4	Very low	28.6	Very low	97 Å²	97	135 Å²	135	60%	0.595	76%	0.757	S	S	*	*			cis	-160.5	143.8	31.2	48.3	0	0	0	0	114.5
466	K	27.2	Very low	28.5	Very low	181 Å²	181	130.5 Å²	130.5	79%	0.787	75%	0.75	S	S	*	*			trans	63.8	139.7	147.7	-57	160.2	-174.8	176.2	0	116.2
467	N	21.8	Very low	28.3	Very low	148 Å²	148	129.3 Å²	129.3	79%	0.791	75%	0.745	S	S	*	*				54.5	141	55.6	-74.5	6.1	0	0	0	112.2
468	T	25	Very low	28.3	Very low	111 Å²	111	135.7 Å²	135.7	68%	0.681	75%	0.751	S	S	*	*			cis	-163.6	167.8	22.1	-16.3	0	0	0	0	109.8
469	L	26.3	Very low	27.8	Very low	151 Å²	151	136 Å²	136	79%	0.791	75%	0.746	S	S	*	*			trans	67	131.3	160.1	-59.9	162.9	0	0	0	115.9
470	H	26.8	Very low	27.7	Very low	173 Å²	173	138 Å²	138	80%	0.801	75%	0.748	S	S	*	*			cis	79.5	138.6	24.2	-144.3	-67.6	0	0	0	114.4
471	V	26.9	Very low	28.4	Very low	105 Å²	105	136.7 Å²	136.7	64%	0.636	75%	0.748	S	S	*	*			trans	99	112.3	166	-173.3	0	0	0	0	119.6
472	N	25	Very low	27.6	Very low	165 Å²	165	136.5 Å²	136.5	88%	0.882	75%	0.75	S	S	*	*			trans	65.6	151.7	147	-65.5	-2.8	0	0	0	125.1
473	G	26.9	Very low	26.1	Very low	72 Å²	72	138 Å²	138	74%	0.742	75%	0.752	S	S	*	*			trans	126.5	67.7	165.8	0	0	0	0	0	114.1
474	N	23.8	Very low	26.1	Very low	169 Å²	169	134.3 Å²	134.3	90%	0.904	74%	0.744	S	S	*	*				82.3	122	60.9	-167.2	40	0	0	0	114.9
475	G	24.7	Very low	26.2	Very low	67 Å²	67	136.4 Å²	136.4	69%	0.691	75%	0.749	S	S	*	*			trans	79.2	154.5	-175.6	0	0	0	0	0	114.2
476	S	26.3	Very low	26.1	Very low	109 Å²	109	135.8 Å²	135.8	76%	0.762	75%	0.753	S	S	*	*			cis	-158.6	143.7	-6.4	-119.8	0	0	0	0	108.6
477	L	26.3	Very low	26.2	Very low	136 Å²	136	132.8 Å²	132.8	71%	0.712	76%	0.755	S	S	*	*				60.4	120.8	95.9	-148.6	102.9	0	0	0	112.7
478	R	27.2	Very low	26.7	Very low	192 Å²	192	130.4 Å²	130.4	73%	0.725	75%	0.75	S	S	*	*			cis	-142	157.4	27.5	-90.5	-158.2	-178.9	-77.4	4.3	111.7
479	D	25.3	Very low	27.2	Very low	122 Å²	122	130.4 Å²	130.4	65%	0.652	76%	0.755	S	S	*	*				71	141.1	65.7	-55.1	-46.8	0	0	0	118.2
480	Y	21.7	Very low	27.8	Very low	217 Å²	217	127.3 Å²	127.3	85%	0.851	75%	0.751	S	S	*	*			trans	-58.2	174.3	161.6	-89.4	-101	0	0	0	112.4
481	P	41.3	Very low	27.9	Very low	119 Å²	119	126.1 Å²	126.1	77%	0.773	76%	0.756	S	S	*	*			cis	-145.8	-167.1	28.7	45	-23.9	0	0	0	117.9
482	S	24.3	Very low	27.9	Very low	106 Å²	106	124 Å²	124	74%	0.741	76%	0.756	S	S	*	*			trans	-67.3	168	178.1	-43.1	0	0	0	0	116.6
483	N	22.8	Very low	28.7	Very low	142 Å²	142	126 Å²	126	76%	0.759	76%	0.756	S	S	*	*			trans	111.7	101	130.8	-153.5	12.7	0	0	0	120
484	S	27.7	Very low	30.1	Very low	84 Å²	84	128.6 Å²	128.6	59%	0.587	76%	0.76	S	S	*	*			trans	34.4	155	142.2	76.1	0	0	0	0	125.2
485	K	24.9	Very low	30.8	Very low	199 Å²	199	124.5 Å²	124.5	87%	0.865	75%	0.745	S	S	*	*			trans	81.8	150.3	166.8	-57.5	174.9	-174.7	177.3	0	116.3
486	A	26.7	Very low	31.5	Very low	83 Å²	83	130.1 Å²	130.1	69%	0.686	75%	0.753	S	S	*	*			cis	-170.7	174.8	-22.4	0	0	0	0	0	109.6
487	S	29.1	Very low	32	Very low	118 Å²	118	128 Å²	128	83%	0.825	75%	0.748	S	S	*	*			trans	72.4	153.2	160.8	-63.2	0	0	0	0	117.5
488	S	31.6	Very low	32.6	Very low	98 Å²	98	130.2 Å²	130.2	69%	0.685	76%	0.759	S	S	*	*			cis	-169.3	166.8	-13.1	47.1	0	0	0	0	112.2
489	S	36.3	Very low	33.1	Very low	111 Å²	111	125.4 Å²	125.4	78%	0.776	76%	0.761	S	S	*	*			trans	64	146.6	145.1	50.8	0	0	0	0	121.3
490	A	37.7	Very low	33.9	Very low	87 Å²	87	125.5 Å²	125.5	72%	0.719	77%	0.771	S	S	*	*			cis	-169.2	177.4	-12.4	0	0	0	0	0	112.5
491	V	30.3	Very low	35	Very low	147 Å²	147	120.7 Å²	120.7	89%	0.891	77%	0.769	S	S	*	*			trans	80.6	137.3	168.1	-170.7	0	0	0	0	116.4
492	G	26.6	Very low	34.7	Very low	62 Å²	62	120.1 Å²	120.1	64%	0.639	77%	0.768	S	S	*	*			cis	148.6	116.5	-20.7	0	0	0	0	0	117.9
493	K	40.5	Very low	35.6	Very low	206 Å²	206	122.2 Å²	122.2	90%	0.896	77%	0.769	S	S	*	*			trans	72.2	147.5	163.2	-68.4	-178.7	178.7	179.8	0	117.2
494	P	57.9	Low	35.9	Very low	127 Å²	127	120.8 Å²	120.8	83%	0.825	77%	0.771	S	S	*	*			cis	-98	-136.6	14.7	41.1	-37.9	0	0	0	115.1
495	S	37.5	Very low	36.2	Very low	83 Å²	83	124.8 Å²	124.8	58%	0.58	78%	0.78	S	S	*	*			trans	-155.3	176.6	-172.1	38	0	0	0	0	107.7
496	H	39.8	Very low	36.4	Very low	184 Å²	184	120.5 Å²	120.5	85%	0.852	78%	0.775	S	S	*	*			cis	-149.6	178.5	28.5	-61.1	-103	0	0	0	109.1
497	G	36.9	Very low	36.5	Very low	64 Å²	64	123.6 Å²	123.6	66%	0.66	78%	0.778	S	S	*	*			cis	149.7	158.4	-5.6	0	0	0	0	0	112.2
498	L	38.5	Very low	36.4	Very low	183 Å²	183	123.7 Å²	123.7	96%	0.958	78%	0.779	S	S	*	*			trans	63.7	122.8	-171.7	-55.8	179.6	0	0	0	115.4
499	A	36.7	Very low	36.6	Very low	92 Å²	92	129.7 Å²	129.7	76%	0.76	79%	0.787	S	S	*	*			cis	-154.5	160.1	-10.1	0	0	0	0	0	111.3
500	S	44.1	Very low	36.4	Very low	123 Å²	123	129.8 Å²	129.8	86%	0.86	78%	0.784	S	S	*	*			trans	-156.5	-179.3	-175.1	-54.8	0	0	0	0	111
501	S	43.2	Very low	35.7	Very low	116 Å²	116	130.9 Å²	130.9	81%	0.811	78%	0.782	S	S	*	*			cis	-154.4	-155.9	18.8	50.6	0	0	0	0	109.3
502	S	36.1	Very low	35.3	Very low	108 Å²	108	128.3 Å²	128.3	76%	0.755	77%	0.771	S	S	*	*			cis	-162.8	-174.3	11	-157.4	0	0	0	0	112.6
503	I	42.2	Very low	35.4	Very low	149 Å²	149	132.8 Å²	132.8	76%	0.764	78%	0.779	S	S	*	*			trans	-144.6	159.5	-173	-61.8	163.1	0	0	0	110.9
504	S	29.7	Very low	35.4	Very low	113 Å²	113	128.4 Å²	128.4	79%	0.79	77%	0.771	S	S	*	*			trans	165.5	-164.9	140.9	55.1	0	0	0	0	116.4
505	H	33.3	Very low	33.8	Very low	167 Å²	167	129 Å²	129	77%	0.773	77%	0.767	S	S	*	*			trans	-134.3	152.2	-145.4	-52.1	-107.1	0	0	0	119.3
506	S	30.3	Very low	33.3	Very low	109 Å²	109	132.8 Å²	132.8	76%	0.762	78%	0.776	S	S	*	*			trans	87.3	153.3	131.7	80.2	0	0	0	0	125.7
507	I	29.1	Very low	32.8	Very low	149 Å²	149	129.5 Å²	129.5	76%	0.764	76%	0.761	S	S	*	*			trans	80.4	128.3	154.6	-64.1	176.7	0	0	0	123
508	S	26.1	Very low	32.6	Very low	119 Å²	119	134 Å²	134	83%	0.832	76%	0.762	S	S	*	*			trans	82.9	171.7	150.2	76.6	0	0	0	0	123.3
509	R	35.3	Very low	32.1	Very low	225 Å²	225	135.1 Å²	135.1	85%	0.849	75%	0.754	S	S	*	*			trans	-152.4	128.1	-167.6	177.8	-158.7	-166.8	-159.4	7.9	112.4
510	P	32	Very low	31.6	Very low	112 Å²	112	138.1 Å²	138.1	73%	0.727	75%	0.752	S	S	*	*			trans	-118.9	169.3	146.4	34.1	-22	0	0	0	110.9
511	T	23.2	Very low	30.7	Very low	111 Å²	111	141.9 Å²	141.9	68%	0.681	75%	0.753	S	S	*	*			cis	104.2	108.9	3.8	-47.3	0	0	0	0	116.5
512	S	23.2	Very low	29.8	Very low	92 Å²	92	143.2 Å²	143.2	64%	0.643	75%	0.75	S	S	*	*			trans	67.6	122.5	150.2	66.5	0	0	0	0	124.9
513	I	29	Very low	29.2	Very low	157 Å²	157	143.5 Å²	143.5	81%	0.805	75%	0.752	S	S	*	*				69.3	148.3	126.2	-64	171.6	0	0	0	116.9
514	P	39	Very low	28.4	Very low	114 Å²	114	145 Å²	145	74%	0.74	75%	0.753	S	S	*	*			cis	-111.3	167.2	16	13.7	12.2	0	0	0	114.5
515	D	24	Very low	28.2	Very low	139 Å²	139	149.8 Å²	149.8	74%	0.743	76%	0.76	S	S	*	*			cis	80.5	112.5	40.9	-171.4	27.3	0	0	0	115.5
516	Q	28.2	Very low	27.9	Very low	163 Å²	163	149.7 Å²	149.7	76%	0.762	76%	0.764	S	S	*	*			trans	-165.2	123	131.3	-98.4	-147	-27.5	0	0	114.3
517	E	28.9	Very low	27.8	Very low	115 Å²	115	148.1 Å²	148.1	54%	0.537	77%	0.765	S	S	.	*			trans	77.2	133.3	132.8	-65.6	-149.3	126.7	0	0	125.7
518	K	32.1	Very low	27.9	Very low	159 Å²	159	150.6 Å²	150.6	69%	0.691	77%	0.773	S	S	*	*			trans	74.9	87	138.4	-72.5	165.9	-174.9	151.4	0	121.2
519	R	28	Very low	28.1	Very low	206 Å²	206	148.7 Å²	148.7	78%	0.777	77%	0.772	S	S	*	*				46.3	126.2	115.3	-87.3	-171.5	166.5	-156.2	2.8	120
520	Q	26.4	Very low	27.7	Very low	155 Å²	155	147.6 Å²	147.6	72%	0.724	77%	0.773	S	S	*	*				61	135.5	129.5	-59.6	169.7	-23.9	0	0	117.5
521	K	24.8	Very low	27.8	Very low	201 Å²	201	149.6 Å²	149.6	87%	0.874	77%	0.773	S	S	*	*			cis	-162.1	162	44.2	-169.6	175.6	179.7	-178.8	0	110.8
522	L	25	Very low	28.1	Very low	145 Å²	145	150.5 Å²	150.5	76%	0.759	77%	0.774	S	S	*	*			trans	-69.2	143.2	175.1	-57.5	103.4	0	0	0	113.1	F524	L522-F524 HydrophobicContact CD2-CE2 4.44Å
523	S	23.7	Very low	28.5	Very low	114 Å²	114	156.7 Å²	156.7	80%	0.797	78%	0.783	S	S	*	*			trans	-156	134.8	135	52.4	0	0	0	0	110.9
524	F	24.8	Very low	28.7	Very low	179 Å²	179	153.2 Å²	153.2	79%	0.785	78%	0.778	S	S	*	*			trans	-81.4	154.2	171.1	-58.3	-100.3	0	0	0	109.8	L522	L522-F524 HydrophobicContact CD2-CE2 4.44Å
525	F	26.3	Very low	28.9	Very low	214 Å²	214	152.6 Å²	152.6	94%	0.939	78%	0.777	S	S	*	*			trans	-149.2	149.4	139.6	-104.8	-70	0	0	0	111.7
526	I	26.4	Very low	29.9	Very low	165 Å²	165	151.5 Å²	151.5	85%	0.846	78%	0.78	S	S	*	*			trans	-94.6	128.8	-176.4	-69.1	166.2	0	0	0	109
527	G	28.3	Very low	30.6	Very low	76 Å²	76	148.4 Å²	148.4	78%	0.784	78%	0.776	S	S	*	*			trans	-130.4	120.2	179.4	0	0	0	0	0	111.8
528	Q	30.9	Very low	31.5	Very low	202 Å²	202	148.4 Å²	148.4	94%	0.944	79%	0.789	S	S	*	*			trans	-75.8	158.5	-177.4	-55.9	167.5	-0.9	0	0	112.1
529	G	29.7	Very low	31.9	Very low	78 Å²	78	144 Å²	144	80%	0.804	78%	0.782	S	S	*	*			trans	157.6	112	160.2	0	0	0	0	0	116.7
530	K	28.7	Very low	32.7	Very low	202 Å²	202	144.8 Å²	144.8	88%	0.878	79%	0.786	S	S	*	*			trans	-106.7	162.1	155.7	-44.5	173.4	-178.9	173	0	106.3
531	Q	33.5	Very low	33.5	Very low	155 Å²	155	141.3 Å²	141.3	72%	0.724	78%	0.779	S	S	*	*			cis	-156.7	173.3	22.7	-51.6	-179.6	2.7	0	0	111.7
532	N	29.2	Very low	34.3	Very low	130 Å²	130	140.4 Å²	140.4	70%	0.695	78%	0.777	S	S	*	*			trans	38.5	154	130.2	-62.3	-22.7	0	0	0	123.6
533	R	32.3	Very low	35.8	Very low	221 Å²	221	138.8 Å²	138.8	83%	0.834	78%	0.776	S	S	*	*			cis	173.8	139.7	-15.3	175.8	-177.6	-175.7	-175.8	3	111.1
534	A	33	Very low	36.9	Very low	85 Å²	85	138.8 Å²	138.8	70%	0.702	78%	0.776	S	S	*	*			trans	62.4	161.6	157.5	0	0	0	0	0	120.5
535	S	41.8	Very low	37.8	Very low	101 Å²	101	136 Å²	136	71%	0.706	78%	0.779	S	S	*	*			cis	-173.9	160.7	-25	-85.7	0	0	0	0	112
536	S	45.1	Very low	38.5	Very low	116 Å²	116	130.1 Å²	130.1	81%	0.811	77%	0.77	S	S	*	*			trans	66.5	154.1	153.5	31.8	0	0	0	0	120.7
537	S	43.6	Very low	39.3	Very low	97 Å²	97	127.3 Å²	127.3	68%	0.678	77%	0.765	S	S	*	*			cis	-174.4	141.8	-10.4	47.5	0	0	0	0	115.6
538	S	47.8	Very low	40.2	Very low	115 Å²	115	128.5 Å²	128.5	80%	0.804	76%	0.761	S	S	*	*			trans	64.4	164	143.3	73.6	0	0	0	0	120.9
539	A	40.8	Very low	40.9	Very low	66 Å²	66	123.4 Å²	123.4	55%	0.545	75%	0.747	S	S	.	*			cis	-160.9	162.6	17.2	0	0	0	0	0	117.5
540	Y	45.7	Very low	41.3	Very low	224 Å²	224	125.4 Å²	125.4	88%	0.878	75%	0.749	S	S	*	*			trans	61	177.5	148.9	-52.8	-39.7	0	0	0	118
541	S	42.9	Very low	41.5	Very low	82 Å²	82	120.6 Å²	120.6	57%	0.573	74%	0.741	S	S	*	*			cis	-152.3	159.5	14.3	-55.6	0	0	0	0	114.6
542	H	40.8	Very low	41.4	Very low	181 Å²	181	118.2 Å²	118.2	84%	0.838	74%	0.741	S	S	*	*			trans	66.3	176.5	167.3	-40.1	-65.8	0	0	0	115.6
543	P	56.3	Low	41.4	Very low	111 Å²	111	117.3 Å²	117.3	72%	0.721	75%	0.745	S	S	*	*			cis	-129.8	-171.9	-9.1	43.2	-28.3	0	0	0	114.9
544	S	47.3	Very low	41.5	Very low	115 Å²	115	114.3 Å²	114.3	80%	0.804	75%	0.745	S	S	*	*			trans	72.1	151.7	155.5	-70.1	0	0	0	0	119.5
545	S	44.4	Very low	42	Very low	121 Å²	121	115.7 Å²	115.7	85%	0.846	75%	0.75	S	S	*	*			cis	-149	-137.4	-14.5	55	0	0	0	0	112.1
546	A	40.3	Very low	41.4	Very low	90 Å²	90	115.9 Å²	115.9	74%	0.744	75%	0.751	S	S	*	*			trans	-161.5	169.8	-163.9	0	0	0	0	0	113
547	S	43.2	Very low	40.9	Very low	106 Å²	106	115 Å²	115	74%	0.741	74%	0.744	S	S	*	*			cis	-111.2	-97.7	-4.2	45.2	0	0	0	0	113.3
548	S	47.3	Very low	40.6	Very low	100 Å²	100	118.4 Å²	118.4	70%	0.699	75%	0.75	S	S	*	*			cis	-162.5	155.3	0.9	-46.5	0	0	0	0	107.9
549	S	44.2	Very low	40.2	Very low	95 Å²	95	117.4 Å²	117.4	66%	0.664	74%	0.743	S	S	*	*			cis	-176.7	134.8	-20.1	50.6	0	0	0	0	108.7
550	S	39	Very low	40	Very low	121 Å²	121	119.8 Å²	119.8	85%	0.846	75%	0.751	S	S	*	*			trans	59.3	179.2	-176.1	86.2	0	0	0	0	114.2
551	S	32.9	Very low	39	Very low	100 Å²	100	112.9 Å²	112.9	70%	0.699	74%	0.735	S	S	*	*			cis	-161.4	154.9	0.8	46.9	0	0	0	0	109.1
552	S	31.3	Very low	38.4	Very low	105 Å²	105	115.1 Å²	115.1	73%	0.734	74%	0.741	S	S	*	*			cis	-172.4	155.5	-15.9	49.7	0	0	0	0	111.1
553	S	28.4	Very low	37.5	Very low	112 Å²	112	111.6 Å²	111.6	78%	0.783	73%	0.732	S	S	*	*			trans	76.2	136.9	171.7	84.2	0	0	0	0	119.6
554	L	36.3	Very low	36	Very low	157 Å²	157	114 Å²	114	82%	0.822	73%	0.733	S	S	*	*	S	Bend	trans	66	127.5	170.2	-62.5	172.2	0	0	0	119
555	S	41.7	Very low	35	Very low	115 Å²	115	117.5 Å²	117.5	80%	0.804	73%	0.734	S	S	*	*	S	Bend	trans	51.8	111	161.1	-59.1	0	0	0	0	119.9
556	S	30.2	Very low	34.3	Very low	104 Å²	104	118 Å²	118	73%	0.727	73%	0.732	S	S	*	*				-165.9	149.2	-69.4	-89.8	0	0	0	0	109.5
557	S	34.7	Very low	34.1	Very low	97 Å²	97	117.8 Å²	117.8	68%	0.678	72%	0.723	S	S	*	*			trans	96.3	139.8	158.4	-47.9	0	0	0	0	118.4
558	Q	37.6	Very low	33.3	Very low	169 Å²	169	122.9 Å²	122.9	79%	0.79	73%	0.726	S	S	*	*			cis	-159.9	146.7	-15.9	-115.9	167.2	80.7	0	0	107.3
559	S	38.6	Very low	32.4	Very low	95 Å²	95	125 Å²	125	66%	0.664	73%	0.725	S	S	*	*				72.4	173.9	105.5	-155.9	0	0	0	0	115.5
560	T	36.3	Very low	31.7	Very low	115 Å²	115	126.4 Å²	126.4	71%	0.706	72%	0.724	S	S	*	*			trans	64.1	155.2	173.6	80.5	0	0	0	0	114.8
561	S	25.6	Very low	31.1	Very low	80 Å²	80	126.7 Å²	126.7	56%	0.559	72%	0.716	S	S	*	*			cis	65.4	159.5	21.9	90.3	0	0	0	0	112.3
562	D	29.4	Very low	30.7	Very low	129 Å²	129	129.8 Å²	129.8	69%	0.69	72%	0.719	S	S	*	*			cis	-128.7	156.7	-7.6	-75.2	-74.7	0	0	0	106.9
563	V	22.2	Very low	30.4	Very low	107 Å²	107	133 Å²	133	65%	0.648	72%	0.72	S	S	*	*			cis	72.9	93.7	39.1	-175.8	0	0	0	0	112.9
564	H	25.3	Very low	30.1	Very low	162 Å²	162	134.7 Å²	134.7	75%	0.75	72%	0.721	S	S	*	*			trans	67.3	133.8	-174.4	-45.2	-64.2	0	0	0	113.5
565	F	25.1	Very low	29.7	Very low	187 Å²	187	131.1 Å²	131.1	82%	0.82	72%	0.722	S	S	*	*			cis	-127.5	119.2	35.9	-105	-114.3	0	0	0	115
566	V	31.1	Very low	28.9	Very low	133 Å²	133	132.1 Å²	132.1	81%	0.806	72%	0.723	S	S	*	*			trans	-91.5	132.1	131.8	169.1	0	0	0	0	103.7
567	P	35.2	Very low	29	Very low	85 Å²	85	131.3 Å²	131.3	55%	0.552	72%	0.716	S	S	*	*				-137.7	-164.5	59.2	43.7	-26.2	0	0	0	112.6
568	R	26.7	Very low	28.4	Very low	212 Å²	212	129.8 Å²	129.8	80%	0.8	71%	0.705	S	S	*	*			cis	-169.7	151.9	31	-125	-167.2	-172	-174.3	7.7	105
569	Q	29.1	Very low	27.8	Very low	146 Å²	146	124.2 Å²	124.2	68%	0.682	68%	0.684	S	S	*	*			cis	-149.7	-177.8	4.1	-73.1	171.2	-101.4	0	0	107.1
570	L	28.2	Very low	27.1	Very low	123 Å²	123	125.3 Å²	125.3	64%	0.644	68%	0.683	S	S	*	*			cis	-154	154.6	1.9	-155.4	73.5	0	0	0	111
571	N	28.1	Very low	26.5	Very low	127 Å²	127	121.5 Å²	121.5	68%	0.679	67%	0.667	S	S	*	*			trans	24.9	143.6	149.9	-61.6	0.5	0	0	0	124.6
572	H	24.3	Very low	26.6	Very low	166 Å²	166	125 Å²	125	77%	0.769	68%	0.679	S	S	*	*			trans	-23.5	152.5	135.7	-51.7	-54.3	0	0	0	115.6
573	F	24.3	Very low	26.6	Very low	172 Å²	172	127.5 Å²	127.5	75%	0.754	69%	0.687	S	S	*	*				-164.3	161.8	82.5	-115.9	-96	0	0	0	115.4
574	N	22.9	Very low	27.4	Very low	147 Å²	147	127.3 Å²	127.3	79%	0.786	69%	0.687	S	S	*	*			trans	-28.1	160.2	176.3	-51.6	-10.8	0	0	0	120.3
575	G	26.5	Very low	27.4	Very low	82 Å²	82	126 Å²	126	85%	0.845	69%	0.691	S	S	*	*			trans	177.5	49.8	166.5	0	0	0	0	0	120.9
576	T	24.6	Very low	27.4	Very low	137 Å²	137	121.2 Å²	121.2	84%	0.84	69%	0.694	S	S	*	*			trans	-85.8	160.3	156.6	45.8	0	0	0	0	110.2
577	P	33.1	Very low	27.2	Very low	87 Å²	87	118.7 Å²	118.7	57%	0.565	70%	0.696	S	S	*	*			cis	-150.2	168.9	32.4	43.1	-22	0	0	0	120.6
578	S	23.2	Very low	26.8	Very low	64 Å²	64	123.1 Å²	123.1	45%	0.448	72%	0.715	S	S	.	*			trans	51.8	146.3	135.7	-63.9	0	0	0	0	127.1	P875 R876 E877	S578-P875 VanDerWaalsContact C-C 3.49Å; S578-P875 VanDerWaalsContact CB-C 3.45Å; S578-P875 VanDerWaalsContact CB-CA 3.49Å; S578-P875 CarbonylContact O-C 2.7Å; S578-P875 VanDerWaalsContact O-O 3.08Å; S578-R876 CarbonylContact O-C 3.52Å; S578-R876 WeakPolarHBondContact O-CA 3.25Å; S578-R876 PolarHBondContact O-N 3.41Å; S578-R876 VanDerWaalsContact O-O 3.13Å; S578-E877 PolarHBondContact O-N 3.42Å
579	S	25	Very low	26.7	Very low	52 Å²	52	116.5 Å²	116.5	36%	0.364	71%	0.712	S	S	.	*			trans	69.4	-145.7	130.6	129.2	0	0	0	0	128.4	P875 R876 E877	S579-P875 VanDerWaalsContact OG-CA 3.27Å; S579-P875 WeakPolarHBondContact OG-CA 3.37Å; S579-R876 VanDerWaalsContact CA-N 3.34Å; S579-R876 PolarHBondContact OG-N 2.86Å; S579-E877 PolarHBondContact O-N 3.37Å
580	N	22.9	Very low	26.6	Very low	118 Å²	118	115.2 Å²	115.2	63%	0.631	72%	0.719	S	S	*	*			trans	-127.5	145.4	-131.1	-45	-35.3	0	0	0	120.5	R876	N580-R876 WeakPolarHBondContact O-CG 3.18Å; N580-R876 PolarHBondContact O-NE 3.26Å; N580-R876 PolarHBondContact O-NH2 3.1Å
581	G	24.1	Very low	26.6	Very low	36 Å²	36	114.7 Å²	114.7	37%	0.371	73%	0.726	S	S	.	*			trans	131.4	141.5	152.9	0	0	0	0	0	113.6
582	D	26.3	Very low	26.4	Very low	152 Å²	152	116.4 Å²	116.4	81%	0.813	73%	0.734	S	S	*	*			cis	-149.4	-175.8	-0	-80.3	-68.8	0	0	0	111.6	R876	D582-R876 IonicContact OD2-NH2 3.77Å; D582-R876 PolarHBondContact OD2-NH2 3.2Å
583	Q	30.6	Very low	26.4	Very low	183 Å²	183	115.9 Å²	115.9	86%	0.855	74%	0.736	S	S	*	*			trans	-69.3	173.1	-174.9	-78.5	-171.2	0.4	0	0	115.6
584	P	39.3	Very low	27.2	Very low	102 Å²	102	112.4 Å²	112.4	66%	0.662	73%	0.729	S	S	*	*			cis	-129	163.4	5	32.4	-11	0	0	0	115.2
585	T	25.1	Very low	27.4	Very low	136 Å²	136	109.4 Å²	109.4	83%	0.834	72%	0.717	S	S	*	*				177.7	153.7	77.7	34.1	0	0	0	0	112.2
586	G	25.3	Very low	27.5	Very low	85 Å²	85	110.4 Å²	110.4	88%	0.876	70%	0.696	S	S	*	*			trans	86.4	128.4	147.3	0	0	0	0	0	120.7
587	G	27.4	Very low	27.8	Very low	81 Å²	81	105.9 Å²	105.9	84%	0.835	67%	0.671	S	S	*	*			trans	117.2	28.6	142.8	0	0	0	0	0	122
588	N	25.6	Very low	27.5	Very low	178 Å²	178	106.6 Å²	106.6	95%	0.952	67%	0.666	S	S	*	*			trans	-79.7	156.4	162.1	-83.3	-23	0	0	0	111.2
589	G	26	Very low	27.5	Very low	73 Å²	73	109 Å²	109	75%	0.753	67%	0.67	S	S	*	*			cis	-169.9	-162	4.6	0	0	0	0	0	113
590	S	25.7	Very low	27.7	Very low	118 Å²	118	110.1 Å²	110.1	83%	0.825	68%	0.679	S	S	*	*			trans	-113	154.9	-164.8	53.4	0	0	0	0	115.6
591	S	29	Very low	28.1	Very low	113 Å²	113	107.4 Å²	107.4	79%	0.79	67%	0.669	S	S	*	*			trans	40.6	121.8	141.3	177.7	0	0	0	0	120.7
592	L	22.6	Very low	28.3	Very low	162 Å²	162	109.2 Å²	109.2	85%	0.848	67%	0.667	S	S	*	*			trans	-158.2	-175.9	141.7	-113.4	167	0	0	0	113.4
593	L	26.1	Very low	28.4	Very low	156 Å²	156	103 Å²	103	82%	0.817	63%	0.633	S	S	*	*			trans	-94.5	-178.3	-159.5	-78.9	159.6	0	0	0	115.9
594	V	39.2	Very low	28.3	Very low	98 Å²	98	97.7 Å²	97.7	59%	0.594	62%	0.617	S	S	*	*			trans	-88.2	142.6	-166.4	-167.9	0	0	0	0	114	F1055	V594-F1055 HydrophobicContact CG1-CD2 3.74Å; V594-F1055 HydrophobicContact CG1-CE2 3.84Å
595	P	27.6	Very low	27.6	Very low	84 Å²	84	96.5 Å²	96.5	55%	0.545	61%	0.605	S	S	.	*			trans	-129.4	-145.3	156.2	39	-23.9	0	0	0	114
596	Y	29.3	Very low	27.7	Very low	103 Å²	103	95.9 Å²	95.9	40%	0.404	59%	0.593	S	S	.	*			trans	-139.1	136.9	-134.3	-9.1	-87	0	0	0	119.7	F1055 L1056 R1057 S1058	Y596-F1055 CarbonylContact C-O 3.51Å; Y596-F1055 VanDerWaalsContact CA-O 3.25Å; Y596-F1055 WeakPolarHBondContact CA-O 3.32Å; Y596-F1055 WeakPolarHBondContact CB-O 3.27Å; Y596-F1055 HydrophobicContact CD1-CB 4.05Å; Y596-L1056 WeakPolarHBondContact CD1-O 3.13Å; Y596-R1057 HydrophobicContact CD2-CB 4.33Å; Y596-R1057 HydrophobicContact CD2-CG 3.98Å; Y596-R1057 HydrophobicContact CG-CG 4.21Å; Y596-S1058 WeakPolarHBondContact CD2-OG 3Å
597	S	30	Very low	27.9	Very low	43 Å²	43	99.8 Å²	99.8	30%	0.301	59%	0.588	S	S	.	*			trans	64.1	159.2	160.8	-57.2	0	0	0	0	118.4	E286 F1055 L1056	E286-S597 WeakPolarHBondContact OE1-CA 3.42Å; E286-S597 WeakPolarHBondContact OE1-CB 3.41Å; E286-S597 PolarHBondContact OE1-OG 3.26Å; S597-F1055 PolarHBondContact N-O 2.97Å; S597-F1055 PolarHBondContact OG-O 2.8Å; S597-F1055 VanDerWaalsContact OG-O 3.09Å; S597-L1056 PolarHBondContact OG-N 3.45Å; S597-L1056 VanDerWaalsContact OG-N 3.15Å
598	Q	27.3	Very low	27.6	Very low	101 Å²	101	103.3 Å²	103.3	47%	0.472	59%	0.587	S	S	.	*			cis	-161.7	161.7	23.8	-146.6	161.9	-81.1	0	0	115.6	E286	E286-Q598 HydrophobicContact CG-CB 4.4Å; E286-Q598 HydrophobicContact CG-CG 4.29Å
599	E	24.4	Very low	27.5	Very low	114 Å²	114	99.2 Å²	99.2	53%	0.533	57%	0.573	S	S	.	*			trans	56.7	163.4	150.7	73.1	-152	95.1	0	0	129	E286	E286-E599 VanDerWaalsContact CG-N 3.29Å
600	S	28.6	Very low	27.4	Very low	77 Å²	77	101.7 Å²	101.7	54%	0.538	57%	0.573	S	S	.	*			trans	83.9	154.2	162.5	-56.3	0	0	0	0	122.1	M297	M297-S600 VanDerWaalsContact CE-C 3.49Å; M297-S600 VanDerWaalsContact CE-O 3.28Å; M297-S600 WeakPolarHBondContact CE-O 3.35Å
601	S	31	Very low	27.5	Very low	60 Å²	60	101.9 Å²	101.9	42%	0.42	57%	0.57	S	S	.	*			cis	-161.9	150.2	-10.5	-109.1	0	0	0	0	119.6	K290 M297	K290-S601 WeakPolarHBondContact CD-O 3.43Å; K290-S601 WeakPolarHBondContact CE-O 3.5Å; M297-S601 WeakPolarHBondContact SD-CA 3.42Å; M297-S601 PolarHBondContact SD-N 3.22Å
602	E	28.9	Very low	27.4	Very low	74 Å²	74	104.3 Å²	104.3	35%	0.346	57%	0.569	S	S	.	*			trans	48.2	96.4	148.1	-31.3	-40.7	67.8	0	0	129.2	K290 K295 K296 M297	K290-E602 WeakPolarHBondContact CE-O 3.47Å; K290-E602 PolarHBondContact NZ-O 3.1Å; K295-E602 VanDerWaalsContact C-CB 3.49Å; K295-E602 WeakPolarHBondContact O-CB 3.31Å; K295-E602 WeakPolarHBondContact O-CG 3.5Å; K296-E602 WeakPolarHBondContact CA-OE1 3.17Å; K296-E602 WeakPolarHBondContact CA-OE2 3.24Å; K296-E602 WeakPolarHBondContact CD-OE2 3.39Å; M297-E602 PolarHBondContact N-OE1 2.94Å
603	E	27.3	Very low	27.5	Very low	21 Å²	21	102.1 Å²	102.1	10%	0.098	56%	0.558	C	S	.	*			trans	42.3	176.8	155.1	-142.6	-164.8	74.9	0	0	123.3	K290 C291 T292 K293 C294 K295 D605	K290-E603 WeakPolarHBondContact CE-O 3.25Å; K290-E603 VanDerWaalsContact CG-N 3.3Å; K290-E603 PolarHBondContact NZ-O 3.48Å; C291-E603 VanDerWaalsContact O-CA 3.25Å; C291-E603 WeakPolarHBondContact O-CA 3.49Å; C291-E603 VanDerWaalsContact O-CB 3.28Å; C291-E603 WeakPolarHBondContact O-CB 3.35Å; C291-E603 WeakPolarHBondContact O-CG 3.48Å; C291-E603 PolarHBondContact O-N 2.96Å; T292-E603 VanDerWaalsContact O-CD 3.32Å; T292-E603 WeakPolarHBondContact O-CG 3.5Å; K293-E603 WeakPolarHBondContact CA-OE2 3.46Å; C294-E603 PolarHBondContact N-OE2 3.4Å; K295-E603 VanDerWaalsContact CA-CB 3.43Å; K295-E603 HydrophobicContact CB-CB 4.28Å; K295-E603 WeakPolarHBondContact CE-OE1 3.4Å; K295-E603 HydrophobicContact CG-CB 3.87Å; K295-E603 HydrophobicContact CG-CG 4.22Å; K295-E603 WeakPolarHBondContact CG-OE1 3.33Å; K295-E603 VanDerWaalsContact N-CD 3.31Å; K295-E603 PolarHBondContact N-OE2 2.9Å; K295-E603 IonicContact NZ-OE1 3.16Å; K295-E603 PolarHBondContact NZ-OE1 3.12Å; E603-D605 HydrophobicContact CG-CB 4.43Å; E603-D605 PolarHBondContact OE1-N 2.8Å; E603-D605 VanDerWaalsContact OE1-N 3.16Å
604	S	28.2	Very low	27.6	Very low	73 Å²	73	99.3 Å²	99.3	51%	0.51	56%	0.557	S	S	.	*			cis	82.5	-168.1	4.1	-26.8	0	0	0	0	119.4	T292	T292-S604 WeakPolarHBondContact CG2-OG 3.24Å
605	D	26.3	Very low	26.9	Very low	76 Å²	76	97.4 Å²	97.4	41%	0.406	56%	0.558	S	S	.	*			cis	-117.6	-100.5	22.5	-170.3	10.2	0	0	0	115.5	T292 K293 E603	T292-D605 WeakPolarHBondContact O-CA 3.38Å; T292-D605 WeakPolarHBondContact O-CB 3.47Å; K293-D605 IonicContact NZ-OD1 2.81Å; K293-D605 PolarHBondContact NZ-OD1 2.91Å; K293-D605 IonicContact NZ-OD2 2.71Å; K293-D605 PolarHBondContact NZ-OD2 3.29Å; E603-D605 HydrophobicContact CG-CB 4.43Å; E603-D605 PolarHBondContact OE1-N 2.8Å; E603-D605 VanDerWaalsContact OE1-N 3.16Å
606	Q	26.8	Very low	26.8	Very low	124 Å²	124	98.3 Å²	98.3	58%	0.579	57%	0.565	S	S	*	*			trans	-145.7	148.1	-151.5	-178.4	172.5	11.4	0	0	116.5
607	E	27.9	Very low	26.5	Very low	166 Å²	166	98 Å²	98	78%	0.776	57%	0.569	S	S	*	*			trans	7.5	142.2	160.2	-57.9	166.4	123.3	0	0	123.9
608	N	22.1	Very low	26.4	Very low	155 Å²	155	98.2 Å²	98.2	83%	0.829	57%	0.571	S	S	*	*				-155.1	165.4	121.7	-156.4	14.5	0	0	0	114.2
609	S	23.7	Very low	26.4	Very low	93 Å²	93	100.5 Å²	100.5	65%	0.65	58%	0.579	S	S	*	*			trans	-38.4	150.4	-177.8	60.1	0	0	0	0	121.8
610	T	24.4	Very low	26.7	Very low	124 Å²	124	99.9 Å²	99.9	76%	0.761	59%	0.587	S	S	*	*			trans	-65	142.2	156.8	48.9	0	0	0	0	114.3
611	T	27.3	Very low	26.7	Very low	123 Å²	123	104.6 Å²	104.6	76%	0.755	60%	0.601	S	S	*	*				-177.5	143.5	115.2	26.9	0	0	0	0	114.4
612	Q	26.2	Very low	26.7	Very low	163 Å²	163	107.5 Å²	107.5	76%	0.762	62%	0.616	S	S	*	*			trans	8	137.8	147.5	-58.9	174	-36.8	0	0	118.3
613	D	25.1	Very low	26.8	Very low	117 Å²	117	113.1 Å²	113.1	63%	0.626	64%	0.639	S	S	*	*			cis	175.1	-177.8	47.1	-143	-28.8	0	0	0	111.6	K51	K51-D613 IonicContact NZ-OD2 2.73Å; K51-D613 PolarHBondContact NZ-OD2 3.12Å
614	A	27.1	Very low	26.9	Very low	96 Å²	96	115 Å²	115	79%	0.793	67%	0.665	S	S	*	*			trans	-36.9	148	178.5	0	0	0	0	0	120.1
615	G	24.8	Very low	27.2	Very low	59 Å²	59	117.4 Å²	117.4	61%	0.608	68%	0.676	S	S	*	*			trans	166.2	94.4	170.6	0	0	0	0	0	109.7
616	C	25.6	Very low	27.7	Very low	103 Å²	103	121.5 Å²	121.5	70%	0.696	70%	0.698	S	S	*	*			trans	-88.6	-163.4	-169.6	-174	0	0	0	0	111.3	S47	S47-C616 WeakPolarHBondContact CB-O 3.25Å
617	I	24.4	Very low	27.9	Very low	96 Å²	96	118.4 Å²	118.4	49%	0.492	70%	0.699	S	S	.	*			trans	73.4	168.5	152.5	4.4	175.3	0	0	0	117.2	G45 D46	G45-I617 WeakPolarHBondContact O-CG2 2.93Å; D46-I617 VanDerWaalsContact O-CB 3.25Å; D46-I617 WeakPolarHBondContact O-CB 3.05Å; D46-I617 WeakPolarHBondContact O-CD1 3.34Å; D46-I617 WeakPolarHBondContact O-CG1 2.9Å
618	S	26.2	Very low	28.1	Very low	48 Å²	48	117.8 Å²	117.8	34%	0.336	71%	0.707	S	S	.	*			trans	-167.1	-158.6	-131.9	44.7	0	0	0	0	117.7	P44 G45 D46	P44-S618 WeakPolarHBondContact CB-OG 3.37Å; P44-S618 VanDerWaalsContact CG-OG 3.26Å; P44-S618 WeakPolarHBondContact CG-OG 3.41Å; G45-S618 CarbonylContact C-O 3.45Å; G45-S618 VanDerWaalsContact CA-O 3.26Å; G45-S618 WeakPolarHBondContact CA-O 3.46Å; G45-S618 PolarHBondContact N-OG 2.77Å; D46-S618 PolarHBondContact N-O 3.03Å
619	K	29.1	Very low	28.5	Very low	149 Å²	149	113.6 Å²	113.6	65%	0.648	70%	0.701	S	S	*	*			trans	83.9	155	-168.2	-73.9	176	170.4	101.7	0	114.1	P44	P44-K619 HydrophobicContact CG-CG 4.49Å; P44-K619 WeakPolarHBondContact O-CE 3.47Å; P44-K619 VanDerWaalsContact O-CG 3.28Å; P44-K619 WeakPolarHBondContact O-CG 3.39Å; P44-K619 PolarHBondContact O-NZ 3.48Å
620	S	29.2	Very low	28.9	Very low	100 Å²	100	117 Å²	117	70%	0.699	71%	0.712	S	S	*	*			cis	-137.1	151.8	-0.6	-36.6	0	0	0	0	109.4
621	Q	29.3	Very low	29.1	Very low	176 Å²	176	117.2 Å²	117.2	82%	0.822	71%	0.713	S	S	*	*				53.6	128.2	81.7	-126.9	179.4	45.9	0	0	113.1
622	T	30	Very low	29.1	Very low	121 Å²	121	117.2 Å²	117.2	74%	0.742	72%	0.716	S	S	*	*			cis	-142.6	168	35.7	39.4	0	0	0	0	112
623	K	32	Very low	29.4	Very low	193 Å²	193	113.8 Å²	113.8	84%	0.839	72%	0.716	S	S	*	*			cis	111.1	112.4	12.3	-169.5	-171.8	178.6	-175.8	0	114.1
624	G	29.6	Very low	29.6	Very low	61 Å²	61	113.5 Å²	113.5	63%	0.629	72%	0.723	S	S	*	*			trans	161.8	112.2	168.2	0	0	0	0	0	111.3
625	T	35.2	Very low	29.7	Very low	123 Å²	123	114 Å²	114	76%	0.755	72%	0.721	S	S	*	*				74.4	137.3	67.6	61.1	0	0	0	0	114.5
626	N	35.2	Very low	30.1	Very low	161 Å²	161	115.9 Å²	115.9	86%	0.861	72%	0.724	S	S	*	*			cis	-168.2	169.4	-3.7	-105.1	-0.7	0	0	0	111.1
627	G	30.8	Very low	30.2	Very low	59 Å²	59	119.8 Å²	119.8	61%	0.608	73%	0.73	S	S	*	*			trans	106.1	130.8	162.7	0	0	0	0	0	115.7
628	T	32.2	Very low	30.4	Very low	153 Å²	153	121.2 Å²	121.2	94%	0.939	74%	0.738	S	S	*	*				71.2	127.7	52.4	64.2	0	0	0	0	115
629	G	31.1	Very low	30.6	Very low	68 Å²	68	123.6 Å²	123.6	70%	0.701	75%	0.751	S	S	*	*			cis	169.9	158	-6.9	0	0	0	0	0	114.6
630	D	32.3	Very low	30.6	Very low	164 Å²	164	124.3 Å²	124.3	88%	0.877	76%	0.762	S	S	*	*			trans	71.1	163.9	156.8	-67.1	-44.7	0	0	0	125.2
631	V	28.3	Very low	30.6	Very low	129 Å²	129	122.9 Å²	122.9	78%	0.782	76%	0.763	S	S	*	*			trans	80.6	100.6	170.3	-167.6	0	0	0	0	115.7
632	C	27.6	Very low	30.5	Very low	122 Å²	122	124 Å²	124	82%	0.824	77%	0.768	S	S	*	*				64	145.8	70.7	-66.6	0	0	0	0	113.3
633	A	31.9	Very low	30.3	Very low	92 Å²	92	123.4 Å²	123.4	76%	0.76	76%	0.764	S	S	*	*			cis	172.7	175.6	10.6	0	0	0	0	0	105
634	S	29.8	Very low	30	Very low	111 Å²	111	120.9 Å²	120.9	78%	0.776	76%	0.76	S	S	*	*			cis	-173.9	-167.1	-17.5	57.5	0	0	0	0	108.8
635	S	29.8	Very low	29.9	Very low	106 Å²	106	123.3 Å²	123.3	74%	0.741	76%	0.763	S	S	*	*			trans	86.2	148.6	151.9	-158.6	0	0	0	0	119.7
636	S	32.2	Very low	29.4	Very low	98 Å²	98	122 Å²	122	69%	0.685	76%	0.757	S	S	*	*			cis	-175.7	-155.9	-33.2	63.7	0	0	0	0	110.7
637	K	28.7	Very low	29	Very low	186 Å²	186	121.3 Å²	121.3	81%	0.809	75%	0.749	S	S	*	*			trans	95.6	140	175.6	-56.6	-167.7	177.2	-179.2	0	115.9
638	N	28.8	Very low	28.8	Very low	126 Å²	126	124.8 Å²	124.8	67%	0.674	75%	0.753	S	S	*	*			cis	-167.5	167.9	-4.4	-114.2	55.4	0	0	0	107.3
639	T	30.4	Very low	28.6	Very low	97 Å²	97	122.3 Å²	122.3	60%	0.595	74%	0.742	S	S	*	*			cis	-175.5	162.2	-25.1	29.6	0	0	0	0	109.3
640	N	28.5	Very low	28.4	Very low	164 Å²	164	124 Å²	124	88%	0.877	74%	0.744	S	S	*	*			trans	71.6	155.5	168.3	-51.9	-5.2	0	0	0	116.9
641	G	27.9	Very low	28.2	Very low	70 Å²	70	124.4 Å²	124.4	72%	0.722	74%	0.74	S	S	*	*			cis	163.2	126.6	-11.9	0	0	0	0	0	114.5
642	E	27.6	Very low	28.2	Very low	199 Å²	199	124 Å²	124	93%	0.93	74%	0.738	S	S	*	*			trans	54.3	-174.1	164.6	-82.9	172.2	124.5	0	0	121
643	T	27.5	Very low	28.1	Very low	109 Å²	109	126 Å²	126	67%	0.669	74%	0.74	S	S	*	*			trans	-120.8	-179	-149.2	48.4	0	0	0	0	114.6
644	D	25.7	Very low	27.7	Very low	140 Å²	140	125.5 Å²	125.5	75%	0.749	74%	0.744	S	S	*	*			trans	74.3	152.7	154.7	-57.9	-43.2	0	0	0	117.7
645	V	26.6	Very low	27.5	Very low	113 Å²	113	125.2 Å²	125.2	69%	0.685	74%	0.742	S	S	*	*			cis	-161.3	137.5	-12.5	118	0	0	0	0	110.3
646	C	23.6	Very low	27.4	Very low	95 Å²	95	126.3 Å²	126.3	64%	0.642	74%	0.744	S	S	*	*			trans	59.2	174.5	147.9	-68.9	0	0	0	0	121
647	H	28	Very low	27.1	Very low	146 Å²	146	126 Å²	126	68%	0.676	74%	0.743	S	S	*	*			cis	-159	153	-13	-116.3	-32	0	0	0	112.4
648	N	26.4	Very low	26.8	Very low	133 Å²	133	125.2 Å²	125.2	71%	0.711	74%	0.742	S	S	*	*			trans	67.1	169.8	137	-61.8	-6.3	0	0	0	119.2
649	S	27.2	Very low	26.6	Very low	101 Å²	101	127 Å²	127	71%	0.706	74%	0.744	S	S	*	*			cis	-149.8	-168.5	24	59.8	0	0	0	0	116.5
650	S	28.6	Very low	26.2	Very low	104 Å²	104	127.7 Å²	127.7	73%	0.727	75%	0.748	S	S	*	*			trans	86.8	77.9	-169.2	-48.6	0	0	0	0	114.1
651	E	26.8	Very low	26.2	Very low	172 Å²	172	128.3 Å²	128.3	80%	0.804	74%	0.743	S	S	*	*				75.4	144.8	65.7	-57	172.1	119.4	0	0	112.8
652	V	29	Very low	25.9	Very low	120 Å²	120	130.5 Å²	130.5	73%	0.727	74%	0.743	S	S	*	*			cis	-148.9	139.7	37.4	173.8	0	0	0	0	113.2
653	N	26	Very low	25.7	Very low	163 Å²	163	127.1 Å²	127.1	87%	0.872	73%	0.731	S	S	*	*			trans	46.2	137.9	156.1	-57.8	-11.5	0	0	0	124.8
654	G	23.8	Very low	25.7	Very low	83 Å²	83	129.1 Å²	129.1	86%	0.856	73%	0.733	S	S	*	*			trans	159.3	122.6	156.5	0	0	0	0	0	113.3
655	S	25.7	Very low	25.9	Very low	105 Å²	105	128.5 Å²	128.5	73%	0.734	73%	0.729	S	S	*	*			trans	-137.1	165.8	-170.3	65.5	0	0	0	0	114.6
656	T	26.7	Very low	25.9	Very low	128 Å²	128	126.5 Å²	126.5	79%	0.785	73%	0.732	S	S	*	*			trans	62.4	152.6	156.1	41.9	0	0	0	0	118.2
657	S	25.2	Very low	26	Very low	93 Å²	93	128.8 Å²	128.8	65%	0.65	73%	0.733	S	S	*	*			cis	-171.5	149.4	-27.9	46.3	0	0	0	0	110.1
658	E	23.3	Very low	25.8	Very low	169 Å²	169	129.6 Å²	129.6	79%	0.79	74%	0.735	S	S	*	*			trans	70.7	152.9	149.2	-86	-165.7	144.4	0	0	124
659	F	24.3	Very low	25.8	Very low	163 Å²	163	128 Å²	128	72%	0.715	73%	0.726	S	S	*	*			trans	61.4	101.1	154.3	-89.9	-92	0	0	0	124
660	T	22.8	Very low	25.8	Very low	111 Å²	111	126 Å²	126	68%	0.681	72%	0.722	S	S	*	*			trans	81.5	143.8	131.5	43.9	0	0	0	0	124.7
661	K	26.7	Very low	26.2	Very low	178 Å²	178	128.2 Å²	128.2	77%	0.774	73%	0.726	S	S	*	*			trans	83	105	143.4	-84.4	174.4	179.3	176.7	0	121.1
662	T	22.6	Very low	26.3	Very low	116 Å²	116	125.6 Å²	125.6	71%	0.712	71%	0.713	S	S	*	*				65.3	139	127.4	57.6	0	0	0	0	122
663	N	23.4	Very low	26.7	Very low	128 Å²	128	129.3 Å²	129.3	68%	0.684	72%	0.72	S	S	*	*			trans	70.4	129.8	152.6	-77.4	-17.4	0	0	0	116.6
664	Q	26.7	Very low	27.1	Very low	151 Å²	151	126.3 Å²	126.3	71%	0.706	71%	0.707	S	S	*	*				58.6	122.4	82.4	-60.4	-174.4	54.6	0	0	114.4
665	N	29.8	Very low	27.5	Very low	126 Å²	126	129.8 Å²	129.8	67%	0.674	71%	0.706	S	S	*	*			trans	55.8	101.1	145.7	-59.6	-22.3	0	0	0	119.7	Q667	N665-Q667 HydrophobicContact CB-CG 4.4Å
666	G	27.7	Very low	27.5	Very low	72 Å²	72	128.1 Å²	128.1	74%	0.742	71%	0.706	S	S	*	*			trans	-128.9	113.8	137.9	0	0	0	0	0	106.9
667	Q	25	Very low	27.7	Very low	142 Å²	142	130.2 Å²	130.2	66%	0.664	71%	0.711	S	S	*	*				53.9	133.2	50.3	-43.1	-176.2	-35.3	0	0	109.7	N665	N665-Q667 HydrophobicContact CB-CG 4.4Å
668	F	24.7	Very low	27.8	Very low	163 Å²	163	132.6 Å²	132.6	72%	0.715	72%	0.716	S	S	*	*			cis	-178.2	177.6	35	-107.6	-42.2	0	0	0	104.9
669	N	25.6	Very low	28.5	Very low	99 Å²	99	130.3 Å²	130.3	53%	0.529	71%	0.714	S	S	.	*			cis	-149	168.9	-17	-142.7	-26.1	0	0	0	107.7	H672	N669-H672 PolarHBondContact ND2-CE1 3.39Å; N669-H672 PolarHBondContact ND2-NE2 2.82Å
670	G	26.5	Very low	28.8	Very low	61 Å²	61	130.3 Å²	130.3	63%	0.629	72%	0.716	S	S	*	*	S	Bend	trans	-161	56.6	-175.9	0	0	0	0	0	115.7
671	N	37.3	Very low	29.1	Very low	149 Å²	149	131 Å²	131	80%	0.797	71%	0.711	S	S	*	*			trans	71.5	102.9	-176.5	-53.6	-26.9	0	0	0	113.1
672	H	30.4	Very low	29.3	Very low	118 Å²	118	130.5 Å²	130.5	55%	0.546	71%	0.709	S	S	.	*				68.4	135.5	52.1	-57.3	-70.4	0	0	0	113.7	N669	N669-H672 PolarHBondContact ND2-CE1 3.39Å; N669-H672 PolarHBondContact ND2-NE2 2.82Å
673	K	36	Very low	29.6	Very low	197 Å²	197	130.6 Å²	130.6	86%	0.857	71%	0.709	S	S	*	*			cis	-121	163.8	20.9	-59.8	175.8	-179.9	176.2	0	112.2
674	V	34.1	Very low	29.7	Very low	100 Å²	100	132.2 Å²	132.2	61%	0.606	72%	0.718	S	S	*	*			cis	83.9	124.6	21	178.3	0	0	0	0	114.4
675	N	32.4	Very low	29.7	Very low	157 Å²	157	128.3 Å²	128.3	84%	0.84	72%	0.718	S	S	*	*			cis	-164.3	163.7	-11.3	-108.6	6.4	0	0	0	110.7
676	G	27.2	Very low	29.8	Very low	70 Å²	70	127.4 Å²	127.4	72%	0.722	72%	0.722	S	S	*	*			trans	120.6	161.7	161	0	0	0	0	0	116.2
677	L	29.1	Very low	29.9	Very low	172 Å²	172	130.9 Å²	130.9	90%	0.901	72%	0.722	S	S	*	*			cis	-160.7	179.4	-5.3	-120.1	171.3	0	0	0	111.4
678	N	27.6	Very low	30.1	Very low	142 Å²	142	131.2 Å²	131.2	76%	0.759	72%	0.723	S	S	*	*			trans	-80.3	152.5	-175.3	-80.9	-17.6	0	0	0	115.4
679	T	38	Very low	30.2	Very low	122 Å²	122	128.1 Å²	128.1	75%	0.748	71%	0.714	S	S	*	*			trans	26.4	113.2	148.7	59.2	0	0	0	0	121.1
680	H	31.5	Very low	30.4	Very low	163 Å²	163	130.8 Å²	130.8	76%	0.755	72%	0.724	S	S	*	*				-165.9	152.6	105.1	-133.1	-115.1	0	0	0	113.4
681	E	29.4	Very low	30.3	Very low	124 Å²	124	133.9 Å²	133.9	58%	0.579	73%	0.726	S	S	*	*			trans	37.6	132.3	156.8	-83.5	178.8	108.3	0	0	126.6
682	K	30.7	Very low	29.8	Very low	169 Å²	169	136.7 Å²	136.7	74%	0.735	73%	0.725	S	S	*	*			trans	77.5	120.9	131.8	-78.7	174.2	177.1	150.8	0	124.1
683	V	27.9	Very low	29.6	Very low	117 Å²	117	136.7 Å²	136.7	71%	0.709	74%	0.738	S	S	*	*			trans	88.5	120.9	133.2	173.9	0	0	0	0	120.6
684	N	25.7	Very low	29.2	Very low	162 Å²	162	131.3 Å²	131.3	87%	0.866	73%	0.731	S	S	*	*			trans	54.6	144.8	159.4	-62.5	-5.7	0	0	0	120.3
685	G	27.8	Very low	28.8	Very low	69 Å²	69	133 Å²	133	71%	0.711	74%	0.74	S	S	*	*			cis	165.5	145.4	-10.2	0	0	0	0	0	114
686	S	31.2	Very low	28.6	Very low	108 Å²	108	133.6 Å²	133.6	76%	0.755	74%	0.744	S	S	*	*			trans	33.4	138.1	145.8	-147.7	0	0	0	0	121.1
687	I	28.8	Very low	28.7	Very low	145 Å²	145	133.6 Å²	133.6	74%	0.744	74%	0.737	S	S	*	*				-174.9	125.1	81.7	-93	175.5	0	0	0	107.2
688	H	30.5	Very low	28.6	Very low	149 Å²	149	132.1 Å²	132.1	69%	0.69	74%	0.735	S	S	*	*				71.3	147.1	92.8	-100.3	-1.2	0	0	0	114.6
689	N	27.5	Very low	28.7	Very low	97 Å²	97	128.9 Å²	128.9	52%	0.519	73%	0.728	S	S	.	*			cis	-165.5	168.1	-2	-139	3.7	0	0	0	113.7
690	Q	27.9	Very low	28.3	Very low	156 Å²	156	130.8 Å²	130.8	73%	0.729	73%	0.733	S	S	*	*			trans	33.2	159.2	134	-75.9	171.4	3.1	0	0	123.6
691	D	25.9	Very low	28	Very low	125 Å²	125	126.2 Å²	126.2	67%	0.668	73%	0.731	S	S	*	*			cis	-167.8	170.5	-25.9	-153.6	-7.4	0	0	0	110.9
692	R	26.8	Very low	27.9	Very low	209 Å²	209	129.2 Å²	129.2	79%	0.789	75%	0.75	S	S	*	*			trans	13.7	150.1	150	-83.1	163.1	174.5	-162.4	-3.3	124.2
693	S	25.8	Very low	27.7	Very low	118 Å²	118	124.9 Å²	124.9	83%	0.825	75%	0.753	S	S	*	*			trans	78.2	154.9	140.1	73.5	0	0	0	0	118.8
694	A	27	Very low	27.9	Very low	84 Å²	84	124.2 Å²	124.2	69%	0.694	75%	0.754	S	S	*	*			cis	-170.9	-169.4	-24.6	0	0	0	0	0	108.6
695	V	27.1	Very low	28	Very low	134 Å²	134	123 Å²	123	81%	0.812	75%	0.747	S	S	*	*			trans	73.2	143.8	166.6	-162.2	0	0	0	0	115.2	A697	V695-A697 HydrophobicContact CG1-CB 4.43Å
696	N	26.8	Very low	28.4	Very low	170 Å²	170	127.1 Å²	127.1	91%	0.909	75%	0.748	S	S	*	*			trans	-149.5	132.6	155.5	-146.1	-3.9	0	0	0	108.8
697	A	29.2	Very low	28.3	Very low	71 Å²	71	128.5 Å²	128.5	59%	0.587	75%	0.746	S	S	*	*			trans	-158.2	132.6	-169.2	0	0	0	0	0	114.1	V695	V695-A697 HydrophobicContact CG1-CB 4.43Å
698	V	27.3	Very low	28.3	Very low	140 Å²	140	129.1 Å²	129.1	85%	0.848	75%	0.746	S	S	*	*			trans	70.4	131.1	140.4	175.5	0	0	0	0	120.5
699	A	30.1	Very low	29.3	Very low	74 Å²	74	127 Å²	127	61%	0.612	75%	0.745	S	S	*	*			trans	79.7	123.3	150	0	0	0	0	0	123.5
700	N	29.5	Very low	29.5	Very low	162 Å²	162	128.3 Å²	128.3	87%	0.866	75%	0.753	S	S	*	*				48.4	117.5	121.4	-49.8	-10.5	0	0	0	122.7
701	G	24.5	Very low	29.6	Very low	68 Å²	68	128.6 Å²	128.6	70%	0.701	75%	0.751	S	S	*	*				103.7	147.7	99.4	0	0	0	0	0	120.5
702	L	27.9	Very low	29.7	Very low	187 Å²	187	129.4 Å²	129.4	98%	0.979	75%	0.751	S	S	*	*			trans	67.4	150.8	171.5	-50	171.8	0	0	0	113.5
703	G	26	Very low	29.8	Very low	78 Å²	78	126.3 Å²	126.3	80%	0.804	75%	0.75	S	S	*	*			cis	121.2	141.7	29.4	0	0	0	0	0	106.9
704	S	32.9	Very low	30	Very low	103 Å²	103	127.1 Å²	127.1	72%	0.72	75%	0.749	S	S	*	*			cis	-161.7	-167.8	4.4	-177.6	0	0	0	0	108.7
705	D	28.3	Very low	30.1	Very low	136 Å²	136	130 Å²	130	73%	0.727	75%	0.753	S	S	*	*			trans	81.1	144.4	151.9	-55.5	-8.7	0	0	0	119.7
706	H	35.6	Very low	31.1	Very low	156 Å²	156	129 Å²	129	72%	0.722	75%	0.749	S	S	*	*			cis	-165.9	170.1	-27.1	-133.2	-89.4	0	0	0	111.8
707	N	28.2	Very low	31.2	Very low	136 Å²	136	125 Å²	125	73%	0.727	74%	0.74	S	S	*	*			trans	81.2	107.5	157.1	-60.6	-16.3	0	0	0	123.5
708	E	30.3	Very low	31.3	Very low	158 Å²	158	126.8 Å²	126.8	74%	0.738	75%	0.748	S	S	*	*				0.9	170	112.8	-101	-148.3	117.8	0	0	121.7	N710	E708-N710 PolarHBondContact OE1-ND2 3.2Å
709	P	50.4	Low	31.5	Very low	104 Å²	104	125 Å²	125	68%	0.675	74%	0.742	S	S	*	*			cis	-145	163.5	17.5	44.6	-25.6	0	0	0	120.5
710	N	31.3	Very low	31.5	Very low	125 Å²	125	130.4 Å²	130.4	67%	0.668	75%	0.754	S	S	*	*			trans	67.8	154.5	134.5	-93	-67.3	0	0	0	129.5	E708	E708-N710 PolarHBondContact OE1-ND2 3.2Å
711	K	30	Very low	31.5	Very low	162 Å²	162	128.6 Å²	128.6	70%	0.704	75%	0.749	S	S	*	*			trans	79.9	121.4	155.2	-75.4	176.7	176.6	-71.7	0	120.1
712	E	28.5	Very low	31.6	Very low	142 Å²	142	130.3 Å²	130.3	66%	0.664	75%	0.75	S	S	*	*				84.7	142.5	60	-80	-167.5	129.8	0	0	113.5
713	L	29	Very low	31.7	Very low	145 Å²	145	126.3 Å²	126.3	76%	0.759	74%	0.737	S	S	*	*			cis	-171.3	-174.5	-15.2	-168.2	66.6	0	0	0	107.7
714	V	29.4	Very low	31.8	Very low	134 Å²	134	126.5 Å²	126.5	81%	0.812	73%	0.731	S	S	*	*			trans	110.4	120.2	151.5	-175.9	0	0	0	0	119.2
715	D	30	Very low	31.7	Very low	146 Å²	146	130.6 Å²	130.6	78%	0.781	74%	0.738	S	S	*	*			trans	-83.4	174.5	169.5	-104.8	-58.9	0	0	0	111.9
716	P	48.6	Very low	31.8	Very low	113 Å²	113	129.5 Å²	129.5	73%	0.734	74%	0.741	S	S	*	*			cis	-159	179.8	43.7	46.2	-23.6	0	0	0	120.4
717	A	28.6	Very low	31.5	Very low	86 Å²	86	126.6 Å²	126.6	71%	0.711	75%	0.745	S	S	*	*			trans	23.2	150.1	135.6	0	0	0	0	0	122.8
718	S	30.8	Very low	32.5	Very low	107 Å²	107	125.8 Å²	125.8	75%	0.748	75%	0.746	S	S	*	*			cis	-175.4	-164	-9.2	59.3	0	0	0	0	111.7
719	S	30.7	Very low	33.2	Very low	104 Å²	104	124.4 Å²	124.4	73%	0.727	75%	0.751	S	S	*	*			trans	81.9	109.8	-179.5	75	0	0	0	0	115.7
720	Q	31.7	Very low	32.2	Very low	187 Å²	187	123.9 Å²	123.9	87%	0.874	76%	0.756	S	S	*	*				85	125.9	63	-81.2	-169.5	9.8	0	0	113.1
721	T	28.1	Very low	32.1	Very low	123 Å²	123	122.5 Å²	122.5	76%	0.755	76%	0.762	S	S	*	*			cis	-149.5	-170	-15.3	57	0	0	0	0	107.1
722	C	28	Very low	31.9	Very low	105 Å²	105	121 Å²	121	71%	0.709	76%	0.761	S	S	*	*			cis	-161.8	169	3.3	-135.9	0	0	0	0	107.3
723	S	30	Very low	31.8	Very low	102 Å²	102	122 Å²	122	71%	0.713	77%	0.766	S	S	*	*			cis	-118.4	-105.4	-4.1	-55.3	0	0	0	0	110.3
724	A	28.1	Very low	31.8	Very low	82 Å²	82	127 Å²	127	68%	0.678	78%	0.775	S	S	*	*			cis	-157.1	145.8	-6.5	0	0	0	0	0	109.1
725	H	29.9	Very low	31.8	Very low	189 Å²	189	128.2 Å²	128.2	88%	0.875	77%	0.772	S	S	*	*			trans	-147.1	174.5	-162.4	-83.8	-78.5	0	0	0	116.7
726	S	30.3	Very low	32.4	Very low	113 Å²	113	126.3 Å²	126.3	79%	0.79	77%	0.767	S	S	*	*			trans	-134.1	144.3	-170.6	-52.5	0	0	0	0	112.9
727	A	30.2	Very low	31.3	Very low	96 Å²	96	128.1 Å²	128.1	79%	0.793	77%	0.77	S	S	*	*			trans	62.4	-175.6	161.1	0	0	0	0	0	117.2
728	P	49.4	Very low	31.2	Very low	118 Å²	118	129.8 Å²	129.8	77%	0.766	78%	0.776	S	S	*	*				-114.8	-118.4	-50.9	34.6	-17.3	0	0	0	109.4
729	P	44.8	Very low	31	Very low	129 Å²	129	129.1 Å²	129.1	84%	0.838	78%	0.778	S	S	*	*				-104.9	-119.8	-62.4	37.9	-23.5	0	0	0	113
730	A	27.6	Very low	30.8	Very low	94 Å²	94	128.7 Å²	128.7	78%	0.777	78%	0.78	S	S	*	*			trans	-135.3	151.7	-162.9	0	0	0	0	0	116.3
731	A	29.4	Very low	30.5	Very low	95 Å²	95	126 Å²	126	79%	0.785	78%	0.776	S	S	*	*			trans	55.7	118.5	157.7	0	0	0	0	0	121.6
732	N	27.3	Very low	30.4	Very low	131 Å²	131	126.6 Å²	126.6	70%	0.701	78%	0.775	S	S	*	*				-170.9	147.9	115.7	-113.6	28.4	0	0	0	114.9
733	E	26.3	Very low	30.4	Very low	163 Å²	163	128.7 Å²	128.7	76%	0.762	77%	0.774	S	S	*	*			trans	44.6	136.8	143	-64.3	168.7	152.3	0	0	124.1
734	R	28.2	Very low	30.3	Very low	249 Å²	249	133.3 Å²	133.3	94%	0.94	78%	0.776	S	S	*	*				-169.6	135.1	109	-102.3	173	-169.3	-161	2.2	115.1
735	E	29.6	Very low	30.2	Very low	161 Å²	161	133.4 Å²	133.4	75%	0.752	78%	0.776	S	S	*	*			trans	-73.2	160.9	158.2	-107.1	-76.9	134.4	0	0	110.1	L737	E735-L737 PolarHBondContact OE2-N 3.05Å
736	P	42.7	Very low	30	Very low	105 Å²	105	129.9 Å²	129.9	68%	0.682	77%	0.768	S	S	*	*				-156.9	153.6	84	40.5	-19.8	0	0	0	120.1
737	L	24.8	Very low	29.7	Very low	151 Å²	151	131.8 Å²	131.8	79%	0.791	77%	0.767	S	S	*	*			trans	81.4	115.3	142.9	-72.9	157.3	0	0	0	121.1	E735	E735-L737 PolarHBondContact OE2-N 3.05Å
738	S	26.5	Very low	29.7	Very low	121 Å²	121	134.6 Å²	134.6	85%	0.846	77%	0.768	S	S	*	*				-176.6	169.3	113	39.3	0	0	0	0	113.9
739	A	26.9	Very low	29.9	Very low	94 Å²	94	134.7 Å²	134.7	78%	0.777	77%	0.768	S	S	*	*			trans	-26.1	143.7	-175.4	0	0	0	0	0	119.5
740	A	26.5	Very low	29.2	Very low	94 Å²	94	135.4 Å²	135.4	78%	0.777	76%	0.76	S	S	*	*			cis	99.6	152.4	30.7	0	0	0	0	0	115.5
741	V	26.6	Very low	30.1	Very low	130 Å²	130	136.7 Å²	136.7	79%	0.788	76%	0.761	S	S	*	*			trans	86.8	100	169.7	-168	0	0	0	0	119.2
742	D	25.4	Very low	30.3	Very low	137 Å²	137	138.9 Å²	138.9	73%	0.733	76%	0.758	S	S	*	*				40.1	145.1	127.4	-62.5	-66	0	0	0	126.9
743	E	28.3	Very low	32	Very low	148 Å²	148	138 Å²	138	69%	0.692	76%	0.76	S	S	*	*			trans	61.5	157	139.7	-75	-154.8	138.1	0	0	121.6
744	R	26.4	Very low	33.9	Very low	200 Å²	200	135.6 Å²	135.6	76%	0.755	76%	0.759	S	S	*	*			cis	-177.4	166.3	-17.7	167.9	166.6	165.5	-172.8	-3.2	110.2
745	A	26.8	Very low	35.7	Very low	83 Å²	83	128.8 Å²	128.8	69%	0.686	75%	0.747	S	S	*	*			trans	70.6	170.1	157.3	0	0	0	0	0	120.3
746	T	25.8	Very low	36.1	Very low	115 Å²	115	128.7 Å²	128.7	71%	0.706	75%	0.746	S	S	*	*				-157.4	162.8	-64.6	-23.4	0	0	0	0	110.5
747	M	24.2	Very low	35.7	Very low	154 Å²	154	132 Å²	132	76%	0.759	75%	0.752	S	S	*	*			trans	68.8	121.4	157.4	-59.9	-54	177.2	0	0	122.1
748	L	30.6	Very low	36.2	Very low	155 Å²	155	131.1 Å²	131.1	81%	0.812	75%	0.753	S	S	*	*				24.7	159	111.4	-64.2	174.8	0	0	0	121.1
749	P	52.5	Low	36.5	Very low	120 Å²	120	129.9 Å²	129.9	78%	0.779	74%	0.744	S	S	*	*			cis	-138.7	-163.5	9.5	37.5	-14.6	0	0	0	117
750	E	29.7	Very low	36.8	Very low	144 Å²	144	130.6 Å²	130.6	67%	0.673	74%	0.743	S	S	*	*			trans	-39.7	169.6	165.5	-116.6	-165.3	104.8	0	0	119.1
751	P	47.9	Very low	37.1	Very low	121 Å²	121	131.5 Å²	131.5	79%	0.786	74%	0.744	S	S	*	*				-147	171.2	57	40.2	-19	0	0	0	120.4
752	L	32.9	Very low	37.3	Very low	140 Å²	140	129.4 Å²	129.4	73%	0.733	74%	0.74	S	S	*	*			trans	-70.5	178.7	167.6	-70.3	164.8	0	0	0	114
753	P	63.6	Low	37.5	Very low	114 Å²	114	130 Å²	130	74%	0.74	75%	0.748	S	S	*	*			cis	-118.8	-138.6	0.8	41.4	-23.1	0	0	0	110.5
754	P	65.6	Low	37.5	Very low	112 Å²	112	126 Å²	126	73%	0.727	75%	0.747	S	S	*	*			cis	-123.4	-141.1	-19.9	38.6	-16	0	0	0	110.5
755	P	66.2	Low	37.7	Very low	106 Å²	106	121.8 Å²	121.8	69%	0.688	75%	0.748	S	S	*	*			cis	-132.1	-119.1	-15.1	39.5	-16.7	0	0	0	114.9
756	H	37.7	Very low	37.8	Very low	158 Å²	158	122.9 Å²	122.9	73%	0.731	75%	0.751	S	S	*	*			trans	-144.5	166.8	-167.1	-56	-41.6	0	0	0	111.2
757	H	34.8	Very low	37.9	Very low	175 Å²	175	123.2 Å²	123.2	81%	0.81	76%	0.758	S	S	*	*			cis	-139.2	-168	23.6	-88.2	-77.6	0	0	0	114.6
758	T	34.8	Very low	38.1	Very low	132 Å²	132	120.8 Å²	120.8	81%	0.81	76%	0.756	S	S	*	*			trans	-97.3	-172.6	-159.3	52.7	0	0	0	0	115.2
759	S	33.1	Very low	37.9	Very low	95 Å²	95	119.9 Å²	119.9	66%	0.664	76%	0.757	S	S	*	*			cis	-168.7	152.3	22.4	49.3	0	0	0	0	116.1
760	S	33.5	Very low	36.7	Very low	109 Å²	109	120.1 Å²	120.1	76%	0.762	76%	0.756	S	S	*	*			trans	55.6	158	144	59.9	0	0	0	0	122.2
761	S	31.9	Very low	36.7	Very low	114 Å²	114	117.4 Å²	117.4	80%	0.797	76%	0.759	S	S	*	*			cis	173.7	166	-20.3	56.3	0	0	0	0	109.3
762	A	32.1	Very low	35.7	Very low	85 Å²	85	116.8 Å²	116.8	70%	0.702	76%	0.757	S	S	*	*			cis	-177	152.1	-34.4	0	0	0	0	0	110.2
763	V	28.7	Very low	35.6	Very low	149 Å²	149	119 Å²	119	90%	0.903	76%	0.761	S	S	*	*			trans	67.7	148	168.8	-174.2	0	0	0	0	117
764	G	27.7	Very low	33.9	Very low	64 Å²	64	118.8 Å²	118.8	66%	0.66	76%	0.757	S	S	*	*			cis	161.3	169.3	-11.8	0	0	0	0	0	114.8
765	S	31.1	Very low	32.2	Very low	112 Å²	112	121.3 Å²	121.3	78%	0.783	76%	0.759	S	S	*	*			trans	69.1	104.8	153.7	-53.2	0	0	0	0	123.4
766	S	29	Very low	30.4	Very low	107 Å²	107	122.3 Å²	122.3	75%	0.748	76%	0.763	S	S	*	*				45.1	136.7	127.1	66	0	0	0	0	124.2
767	S	28	Very low	29.8	Very low	122 Å²	122	121.2 Å²	121.2	85%	0.853	77%	0.768	S	S	*	*				144.3	166.7	115.3	68.6	0	0	0	0	115.8
768	S	28.3	Very low	29.7	Very low	102 Å²	102	116.8 Å²	116.8	71%	0.713	76%	0.761	S	S	*	*			trans	-78.4	162.8	-171.7	52.1	0	0	0	0	116
769	V	27.4	Very low	30.5	Very low	136 Å²	136	115.8 Å²	115.8	82%	0.824	76%	0.757	S	S	*	*				-178.8	168.9	120.2	145	0	0	0	0	111.4
770	T	26.6	Very low	30.3	Very low	126 Å²	126	120.7 Å²	120.7	77%	0.773	76%	0.761	S	S	*	*			trans	-93.1	171.3	-173.6	48.5	0	0	0	0	115
771	A	29.6	Very low	30.1	Very low	87 Å²	87	121.6 Å²	121.6	72%	0.719	75%	0.753	S	S	*	*			trans	106.4	128.3	138.5	0	0	0	0	0	121.5
772	S	26.8	Very low	30.1	Very low	107 Å²	107	122.7 Å²	122.7	75%	0.748	75%	0.749	S	S	*	*			trans	74.6	104.6	133.9	-65.3	0	0	0	0	123.6
773	K	30.3	Very low	30	Very low	187 Å²	187	123.8 Å²	123.8	81%	0.813	75%	0.752	S	S	*	*				72	124.5	116.9	-77.1	-170.5	173.7	-177.2	0	123
774	T	28.4	Very low	30	Very low	109 Å²	109	120.3 Å²	120.3	67%	0.669	74%	0.738	S	S	*	*				84.9	117.2	127.3	53.9	0	0	0	0	124.8
775	H	30.7	Very low	30	Very low	165 Å²	165	126.4 Å²	126.4	76%	0.764	75%	0.747	S	S	*	*				79.3	145.1	128.3	-76.6	-60.1	0	0	0	124
776	T	27.1	Very low	31.2	Very low	127 Å²	127	127 Å²	127	78%	0.779	75%	0.748	S	S	*	*			trans	67.8	150	149.3	41.2	0	0	0	0	119.7
777	V	26.4	Very low	31.2	Very low	136 Å²	136	127 Å²	127	82%	0.824	75%	0.748	S	S	*	*			cis	-160.9	177.1	-29.3	103.6	0	0	0	0	109.2
778	A	31.3	Very low	31.6	Very low	81 Å²	81	129.3 Å²	129.3	67%	0.669	75%	0.745	S	S	*	*			trans	-69.3	-171.2	174.7	0	0	0	0	0	112.8
779	P	52.1	Low	32.9	Very low	111 Å²	111	128.7 Å²	128.7	72%	0.721	74%	0.739	S	S	*	*			cis	-154.6	-158.7	38.3	41	-15.4	0	0	0	117.1
780	R	29.9	Very low	32.9	Very low	199 Å²	199	128.7 Å²	128.7	75%	0.751	74%	0.739	S	S	*	*			trans	76.4	152.7	151.2	-79.4	-172.1	138.5	-166.4	-25.4	119.5
781	E	28.5	Very low	33.1	Very low	127 Å²	127	127.1 Å²	127.1	59%	0.593	73%	0.732	S	S	*	*			cis	-165.8	175.5	-26.8	-122	170.2	-133.7	0	0	105.8
782	L	31.7	Very low	33.1	Very low	138 Å²	138	127.8 Å²	127.8	72%	0.723	73%	0.731	S	S	*	*			cis	-152.5	-161.8	8.1	-139.8	177.5	0	0	0	107.2
783	S	29.5	Very low	33.3	Very low	108 Å²	108	127.5 Å²	127.5	76%	0.755	73%	0.729	S	S	*	*			trans	69.4	164.3	166.3	79.5	0	0	0	0	116.5
784	A	28.8	Very low	33.3	Very low	75 Å²	75	124.1 Å²	124.1	62%	0.62	73%	0.729	S	S	*	*			cis	-164.6	165.4	-35.4	0	0	0	0	0	106.8
785	F	28	Very low	33.6	Very low	193 Å²	193	122.8 Å²	122.8	85%	0.846	73%	0.728	S	S	*	*			cis	72.3	149.7	25.5	-45.9	-47.1	0	0	0	113.9
786	P	56.3	Low	33.9	Very low	123 Å²	123	122.3 Å²	122.3	80%	0.799	73%	0.731	S	S	*	*			cis	-73.7	-158.3	-4.6	37.5	-39.5	0	0	0	112.1
787	S	30.3	Very low	34.1	Very low	108 Å²	108	119 Å²	119	76%	0.755	72%	0.722	S	S	*	*			cis	-157.7	-156.1	18.9	62.3	0	0	0	0	114.1
788	E	35.7	Very low	34.3	Very low	170 Å²	170	119.2 Å²	119.2	79%	0.794	72%	0.717	S	S	*	*	S	Bend	trans	-43.2	146.2	175.7	-69.9	-85	109.2	0	0	116
789	P	55.4	Low	34	Very low	89 Å²	89	121.3 Å²	121.3	58%	0.578	73%	0.727	S	S	*	*			cis	-140.6	142	-45.1	31.6	-13.3	0	0	0	114.7
790	V	28.6	Very low	33	Very low	137 Å²	137	120.1 Å²	120.1	83%	0.83	73%	0.727	S	S	*	*			trans	64.5	130.5	136.6	175.5	0	0	0	0	118.1
791	C	29.2	Very low	33	Very low	93 Å²	93	115.3 Å²	115.3	63%	0.628	73%	0.729	S	S	*	*			cis	-152.3	154.3	2.4	-135.3	0	0	0	0	109.5
792	C	30.2	Very low	33	Very low	101 Å²	101	113.2 Å²	113.2	68%	0.682	73%	0.734	S	S	*	*				64.9	141.9	94	-41.5	0	0	0	0	116
793	S	30.6	Very low	32.9	Very low	101 Å²	101	115.2 Å²	115.2	71%	0.706	74%	0.74	S	S	*	*			cis	-174.2	170.6	-8.9	-100.7	0	0	0	0	110.5
794	S	31.5	Very low	32.8	Very low	116 Å²	116	116.3 Å²	116.3	81%	0.811	74%	0.737	S	S	*	*			trans	73.3	161.2	148.7	-64.1	0	0	0	0	120.9
795	A	33.5	Very low	32.7	Very low	80 Å²	80	119 Å²	119	66%	0.661	74%	0.74	S	S	*	*			trans	69.9	147.7	157.5	0	0	0	0	0	118.2
796	N	37	Very low	32.5	Very low	155 Å²	155	114.3 Å²	114.3	83%	0.829	73%	0.731	S	S	*	*			cis	-162.5	167.2	-18.1	-97.1	-20.8	0	0	0	105.6
797	G	32.1	Very low	31.1	Very low	57 Å²	57	117.3 Å²	117.3	59%	0.588	73%	0.731	S	S	*	*			cis	-171.5	152.1	-2.2	0	0	0	0	0	107.7
798	I	30.3	Very low	30.8	Very low	141 Å²	141	116.9 Å²	116.9	72%	0.723	72%	0.724	S	S	*	*				55.5	109.5	95.2	-56.6	167.9	0	0	0	111.6	A800	I798-A800 HydrophobicContact CG2-CB 3.86Å
799	S	25.6	Very low	30.5	Very low	126 Å²	126	116.2 Å²	116.2	88%	0.881	72%	0.721	S	S	*	*			cis	60.4	63.2	7.8	-174.4	0	0	0	0	116.5
800	A	29.7	Very low	29.1	Very low	85 Å²	85	120.5 Å²	120.5	70%	0.702	73%	0.733	S	S	*	*			trans	-162.9	145.5	156.1	0	0	0	0	0	108.6	I798	I798-A800 HydrophobicContact CG2-CB 3.86Å
801	A	29.9	Very low	29.1	Very low	98 Å²	98	121.9 Å²	121.9	81%	0.81	73%	0.731	S	S	*	*			cis	-158.2	177.5	-24	0	0	0	0	0	105.4
802	A	29.7	Very low	29	Very low	84 Å²	84	123.2 Å²	123.2	69%	0.694	74%	0.736	S	S	*	*			cis	-147.6	159.8	2.9	0	0	0	0	0	106.4
803	Q	28.8	Very low	28.9	Very low	179 Å²	179	126.5 Å²	126.5	84%	0.836	74%	0.738	S	S	*	*				25.6	133.4	86.7	-69.3	-169.5	28.2	0	0	115.9
804	N	26.6	Very low	28.7	Very low	131 Å²	131	127.4 Å²	127.4	70%	0.701	74%	0.735	S	S	*	*			cis	-169.4	172.2	-17.1	-142.2	-19	0	0	0	108.2
805	I	26.7	Very low	28.4	Very low	133 Å²	133	126.4 Å²	126.4	68%	0.682	73%	0.728	S	S	*	*			trans	63.5	96.6	150.1	-63.2	160.2	0	0	0	118.3
806	S	24.7	Very low	28.1	Very low	94 Å²	94	126.9 Å²	126.9	66%	0.657	73%	0.727	S	S	*	*			trans	82.2	154.4	130.6	82	0	0	0	0	122.9
807	K	26.5	Very low	27.7	Very low	186 Å²	186	127.7 Å²	127.7	81%	0.809	73%	0.726	S	S	*	*			trans	69.9	149	161.7	-64.7	178.3	179.2	-177.8	0	117.8
808	T	25.5	Very low	27.4	Very low	99 Å²	99	129.9 Å²	129.9	61%	0.607	73%	0.728	S	S	*	*			cis	-161.5	169.6	-33.3	23.2	0	0	0	0	106.7
809	E	27.6	Very low	27.2	Very low	156 Å²	156	130.7 Å²	130.7	73%	0.729	73%	0.734	S	S	*	*			trans	65	139.7	172.7	-75.8	86	-120.3	0	0	114.7
810	E	26.6	Very low	27.2	Very low	178 Å²	178	128 Å²	128	83%	0.832	73%	0.726	S	S	*	*				65.4	132.9	68	-82	180	-174.1	0	0	113.2
811	E	27.8	Very low	27.8	Very low	167 Å²	167	130.7 Å²	130.7	78%	0.78	74%	0.736	S	S	*	*			cis	-159.9	-174.2	-1.1	-154.9	-153.6	152.7	0	0	109.1
812	V	28.6	Very low	27.7	Very low	120 Å²	120	131.4 Å²	131.4	73%	0.727	74%	0.735	S	S	*	*			trans	70.3	152.7	161	172.4	0	0	0	0	117.2
813	K	28.1	Very low	27.7	Very low	170 Å²	170	131.4 Å²	131.4	74%	0.739	74%	0.735	S	S	*	*			cis	-171.5	171.2	-38.3	-161.5	174.5	176.3	-179.7	0	108.1
814	D	25.7	Very low	27.6	Very low	120 Å²	120	132.8 Å²	132.8	64%	0.642	73%	0.733	S	S	*	*			trans	68.8	137.4	170.2	-70.9	-66.2	0	0	0	115.6
815	S	25.6	Very low	27.6	Very low	95 Å²	95	133 Å²	133	66%	0.664	73%	0.73	S	S	*	*			cis	76.3	142.2	41.6	106	0	0	0	0	113.2
816	S	26.3	Very low	27.6	Very low	91 Å²	91	132.6 Å²	132.6	64%	0.636	73%	0.728	S	S	*	*			cis	-166	168.7	-24.1	54.9	0	0	0	0	108.8
817	Q	29	Very low	27.6	Very low	172 Å²	172	133 Å²	133	80%	0.804	73%	0.731	S	S	*	*			trans	67.7	162.4	170.1	-56.9	-172.6	3	0	0	114.6
818	T	25.2	Very low	27.6	Very low	103 Å²	103	127.5 Å²	127.5	63%	0.632	73%	0.728	S	S	*	*			cis	-157.5	177.3	-7.4	7.5	0	0	0	0	110.5
819	N	27.3	Very low	27.8	Very low	157 Å²	157	128.9 Å²	128.9	84%	0.84	74%	0.736	S	S	*	*			trans	82.6	130	158.3	-51.7	-42	0	0	0	119.2
820	G	25.7	Very low	27.7	Very low	69 Å²	69	129.3 Å²	129.3	71%	0.711	74%	0.738	S	S	*	*			trans	-128.1	178.3	145.1	0	0	0	0	0	108.7
821	P	42.6	Very low	27.7	Very low	143 Å²	143	126.8 Å²	126.8	93%	0.929	73%	0.73	S	S	*	*			trans	-127.3	-173.4	155	37.2	-25.1	0	0	0	112.8
822	S	27.4	Very low	27.8	Very low	112 Å²	112	126.4 Å²	126.4	78%	0.783	73%	0.726	S	S	*	*			trans	-116.7	147.2	-153.3	-168.1	0	0	0	0	115.4
823	A	30	Very low	27.7	Very low	84 Å²	84	126.2 Å²	126.2	69%	0.694	72%	0.718	S	S	*	*			trans	49	138.9	144.7	0	0	0	0	0	122.5
824	R	25.3	Very low	27.7	Very low	209 Å²	209	125.6 Å²	125.6	79%	0.789	72%	0.717	S	S	*	*				-177.3	145.1	105.1	-101.3	169.1	176.1	-111.2	6.4	114.6
825	Q	27.8	Very low	27.9	Very low	136 Å²	136	124.3 Å²	124.3	64%	0.636	72%	0.718	S	S	*	*			trans	66.6	155.6	148.6	-72.5	169.8	-109.5	0	0	118.2
826	D	26.2	Very low	28.1	Very low	123 Å²	123	127.4 Å²	127.4	66%	0.658	72%	0.721	S	S	*	*			cis	-140.1	177.6	9.8	-134.1	-49.9	0	0	0	115.1
827	S	25.7	Very low	28.3	Very low	102 Å²	102	124.7 Å²	124.7	71%	0.713	70%	0.703	S	S	*	*			trans	-49.8	152	174.2	50.6	0	0	0	0	116
828	G	26.5	Very low	28.5	Very low	72 Å²	72	122.5 Å²	122.5	74%	0.742	69%	0.69	S	S	*	*				109.5	159.7	76.3	0	0	0	0	0	109.7
829	T	28	Very low	29.2	Very low	127 Å²	127	121 Å²	121	78%	0.779	68%	0.683	S	S	*	*			cis	-160.2	168.9	-2.1	-45.4	0	0	0	0	109.6
830	E	26.6	Very low	29.4	Very low	166 Å²	166	119.4 Å²	119.4	78%	0.776	68%	0.684	S	S	*	*			trans	104.4	122.8	156.9	-55.6	-150.6	114.9	0	0	117.4
831	N	27.1	Very low	29.9	Very low	124 Å²	124	120.9 Å²	120.9	66%	0.663	68%	0.683	S	S	*	*				76.3	138.6	58.8	-65.6	-33.5	0	0	0	113.2
832	K	28.3	Very low	29.4	Very low	159 Å²	159	125.9 Å²	125.9	69%	0.691	68%	0.683	S	S	*	*			cis	-163.6	149.5	-9.1	-120.7	-171.9	174.4	-137.5	0	112.9
833	E	26.8	Very low	29.5	Very low	117 Å²	117	124.2 Å²	124.2	55%	0.547	68%	0.684	S	S	.	*			trans	37.8	129.6	137.5	-68.4	-178.6	137.4	0	0	126.3
834	Q	29.8	Very low	29.4	Very low	157 Å²	157	129.3 Å²	129.3	73%	0.734	69%	0.693	S	S	*	*				71.2	163	121.6	-62.3	167.8	24.1	0	0	119.8
835	S	29.2	Very low	29.4	Very low	93 Å²	93	128.8 Å²	128.8	65%	0.65	70%	0.7	S	S	*	*			cis	-141.1	-169.5	26.2	-56.8	0	0	0	0	114.8
836	Q	30.5	Very low	29.3	Very low	159 Å²	159	133.5 Å²	133.5	74%	0.743	71%	0.712	S	S	*	*			trans	-158.5	158.1	-172.9	-57.6	-179.4	2.5	0	0	116	Y1113 D1114	Q836-Y1113 CarbonylContact O-C 3.53Å; Q836-D1114 WeakPolarHBondContact CA-OD1 3.2Å
837	S	29	Very low	29.3	Very low	35 Å²	35	136.8 Å²	136.8	25%	0.245	72%	0.723	C	S	.	*			trans	117.1	134.5	144.1	79.4	0	0	0	0	123.8	Y1113 D1114	S837-Y1113 CarbonylContact O-C 3.41Å; S837-Y1113 VanDerWaalsContact O-CA 3.24Å; S837-Y1113 WeakPolarHBondContact O-CA 3.3Å; S837-Y1113 PolarHBondContact OG-N 2.96Å; S837-D1114 WeakPolarHBondContact CA-OD2 3.08Å; S837-D1114 VanDerWaalsContact N-CB 3.28Å; S837-D1114 PolarHBondContact N-OD1 2.75Å; S837-D1114 PolarHBondContact N-OD2 2.98Å; S837-D1114 WeakPolarHBondContact O-CB 3.02Å; S837-D1114 PolarHBondContact O-N 2.95Å
838	K	32.8	Very low	29.2	Very low	125 Å²	125	137 Å²	137	54%	0.543	72%	0.724	S	S	.	*			trans	71.3	179.5	140.9	-76.4	173.9	175	-174.6	0	116.4	D1110	K838-D1110 IonicContact NZ-OD1 3.45Å; K838-D1110 PolarHBondContact NZ-OD1 3.01Å
839	P	40.1	Very low	29.1	Very low	73 Å²	73	137.9 Å²	137.9	47%	0.474	72%	0.72	S	S	.	*			cis	-135.3	177.5	6.7	43	-25.1	0	0	0	117.9	R1112 Y1113	P839-R1112 HydrophobicContact CB-CG 4.44Å; P839-Y1113 HydrophobicContact CG-CE1 4.27Å
840	S	33.2	Very low	28.9	Very low	123 Å²	123	142.2 Å²	142.2	86%	0.86	72%	0.723	S	S	*	*			trans	-165.6	158.9	163.3	-172.8	0	0	0	0	112.7
841	S	35.8	Very low	28.9	Very low	100 Å²	100	139.6 Å²	139.6	70%	0.699	71%	0.714	S	S	*	*			trans	-171.7	177	173.4	66.3	0	0	0	0	115.6
842	R	32.3	Very low	28.9	Very low	247 Å²	247	142.7 Å²	142.7	93%	0.932	72%	0.717	S	S	*	*			trans	87.5	151.3	172	-60.5	178.1	167	-171.5	-6.1	116.8
843	G	27.9	Very low	28.9	Very low	78 Å²	78	140 Å²	140	80%	0.804	71%	0.71	S	S	*	*			cis	-156.5	-164.9	4.6	0	0	0	0	0	114.6
844	H	29.2	Very low	29	Very low	191 Å²	191	142.2 Å²	142.2	88%	0.884	71%	0.713	S	S	*	*			trans	-118.1	154.4	-171.9	-91.2	-84.5	0	0	0	113.5
845	E	24.6	Very low	28.8	Very low	197 Å²	197	142.1 Å²	142.1	92%	0.921	72%	0.718	S	S	*	*				-167.1	-164	125.3	-110	-178.6	155.7	0	0	114.7
846	R	26.1	Very low	28.8	Very low	236 Å²	236	144.7 Å²	144.7	89%	0.891	71%	0.713	S	S	*	*			trans	-138.2	171.4	-157	-86.3	-173.6	169.8	-161	-0	115.9
847	Q	25	Very low	28.5	Very low	191 Å²	191	144.3 Å²	144.3	89%	0.893	71%	0.71	S	S	*	*			trans	102.1	146.3	163.1	-60.6	-174.5	9.3	0	0	115.9
848	S	24.6	Very low	28.4	Very low	106 Å²	106	152.9 Å²	152.9	74%	0.741	74%	0.738	S	S	*	*			cis	-165.7	-157.2	-20.8	65	0	0	0	0	110.4
849	S	23.6	Very low	29.1	Very low	92 Å²	92	151.4 Å²	151.4	64%	0.643	74%	0.741	S	S	*	*			trans	93.4	102.2	163.2	-170.9	0	0	0	0	121.6
850	Y	25.2	Very low	28.5	Very low	217 Å²	217	153.4 Å²	153.4	85%	0.851	75%	0.748	S	S	*	*			trans	37.6	157.1	130.7	-55	-72.1	0	0	0	124.2
851	D	25.6	Very low	28.2	Very low	111 Å²	111	157.5 Å²	157.5	59%	0.594	75%	0.746	S	S	*	*			cis	-173.7	154.6	-32.8	-159.3	9.5	0	0	0	110
852	R	28.3	Very low	27.9	Very low	190 Å²	190	156.9 Å²	156.9	72%	0.717	74%	0.742	S	S	*	*			trans	51.7	168.9	157.3	-75.6	165.2	-157.7	-124.3	4.6	121
853	D	27.5	Very low	27.8	Very low	102 Å²	102	153.7 Å²	153.7	55%	0.545	74%	0.735	S	S	.	*			cis	-144	140.5	-19.3	-108.8	-37.9	0	0	0	104.3
854	R	27.7	Very low	27.8	Very low	163 Å²	163	156.1 Å²	156.1	62%	0.615	73%	0.729	S	S	*	*				71.5	110.4	65	-169.1	-155.2	-125.3	165.2	5.8	114.3
855	D	26	Very low	27.9	Very low	155 Å²	155	157.1 Å²	157.1	83%	0.829	73%	0.725	S	S	*	*			trans	-151.9	171.1	132.9	-118.6	-24.9	0	0	0	113.9
856	R	29.3	Very low	28.1	Very low	147 Å²	147	152.4 Å²	152.4	56%	0.555	71%	0.706	S	S	*	*				-157.4	170.2	-120.5	-166.5	176.1	-177	-164.4	0.1	115.2
857	F	23.8	Very low	28.3	Very low	152 Å²	152	150.5 Å²	150.5	67%	0.667	70%	0.699	S	S	*	*			trans	87.2	137.5	169.7	-55.6	-83.1	0	0	0	117.6
858	Y	26.7	Very low	28.6	Very low	214 Å²	214	149.7 Å²	149.7	84%	0.839	70%	0.695	S	S	*	*			cis	86.8	156	26.7	-88.3	-128.1	0	0	0	115.5
859	P	47.9	Very low	28.8	Very low	95 Å²	95	153.8 Å²	153.8	62%	0.617	70%	0.695	S	S	*	*			cis	-152.2	-171.2	-26	39.4	-18.4	0	0	0	118.8
860	D	29.1	Very low	29.1	Very low	115 Å²	115	158.4 Å²	158.4	62%	0.615	70%	0.699	S	S	*	*			trans	74.8	160.1	144.2	-112.5	-24.7	0	0	0	120.3
861	Y	26.8	Very low	29.2	Very low	209 Å²	209	153.4 Å²	153.4	82%	0.82	69%	0.687	S	S	*	*			cis	-149.4	170.2	21.3	-67.9	-80.1	0	0	0	112.6
862	S	27.8	Very low	29.3	Very low	87 Å²	87	159 Å²	159	61%	0.608	70%	0.7	S	S	*	*			cis	-162.2	-63	-35	-161.7	0	0	0	0	116.2
863	K	30.8	Very low	29.2	Very low	179 Å²	179	155.6 Å²	155.6	78%	0.778	71%	0.705	S	S	*	*			trans	-146.5	175.2	-163.1	-73	173.3	-173.7	157.9	0	113.6
864	D	28.4	Very low	30	Very low	129 Å²	129	154.9 Å²	154.9	69%	0.69	71%	0.706	S	S	*	*			cis	-150.6	153.6	33.8	-99.1	-59.1	0	0	0	113.1
865	R	31.6	Very low	30.8	Very low	212 Å²	212	150.5 Å²	150.5	80%	0.8	70%	0.698	S	S	*	*				52.3	144.5	97.5	-86.5	-179.8	171.7	-179.5	-2.7	116.9
866	D	29.1	Very low	30.8	Very low	98 Å²	98	149 Å²	149	52%	0.524	68%	0.681	S	S	.	*			cis	-166	177.4	24.1	-138.6	-20.2	0	0	0	115.6
867	R	30	Very low	30.7	Very low	197 Å²	197	147.1 Å²	147.1	74%	0.743	68%	0.679	S	S	*	*			trans	73.5	-172.1	151.8	-70.4	152.6	-146.4	-80.1	-19.5	121.8
868	H	30.2	Very low	30.9	Very low	173 Å²	173	144.4 Å²	144.4	80%	0.801	68%	0.678	S	S	*	*				-163	161.2	-123.6	-89.1	18.5	0	0	0	119.9
869	Y	29.4	Very low	31	Very low	192 Å²	192	144.4 Å²	144.4	75%	0.753	68%	0.678	S	S	*	*			trans	99.5	166.9	145.3	-100.2	-119.1	0	0	0	125.5
870	R	29	Very low	30	Very low	190 Å²	190	144.8 Å²	144.8	72%	0.717	68%	0.683	S	S	*	*			trans	-88.5	-169.3	-156.5	-42.8	176.8	-175.5	168.6	-3.6	116.1
871	D	27.9	Very low	30	Very low	111 Å²	111	145.1 Å²	145.1	59%	0.594	69%	0.685	S	S	*	*			cis	-167.3	163.1	9.1	-136.5	-34.2	0	0	0	113.7
872	R	27.3	Very low	30	Very low	230 Å²	230	145.7 Å²	145.7	87%	0.868	69%	0.686	S	S	*	*			trans	60.4	178.3	155.2	-72.4	169.7	-178.8	-163.3	-3.5	124.8
873	S	26.1	Very low	30	Very low	117 Å²	117	149.3 Å²	149.3	82%	0.818	69%	0.693	S	S	*	*			trans	-151.6	-171.5	-173.5	-41.3	0	0	0	0	111.5
874	P	45.4	Very low	29.8	Very low	88 Å²	88	151.2 Å²	151.2	57%	0.571	70%	0.695	S	S	*	*			cis	-130.6	-126.7	8.7	32.4	-3.8	0	0	0	112.6
875	P	43.6	Very low	29.6	Very low	71 Å²	71	153.4 Å²	153.4	46%	0.461	70%	0.695	S	S	.	*			cis	-141.1	174.9	-22.8	40.4	-19.3	0	0	0	120.8	S578 S579	S578-P875 VanDerWaalsContact C-C 3.49Å; S578-P875 VanDerWaalsContact CB-C 3.45Å; S578-P875 VanDerWaalsContact CB-CA 3.49Å; S578-P875 CarbonylContact O-C 2.7Å; S578-P875 VanDerWaalsContact O-O 3.08Å; S579-P875 VanDerWaalsContact OG-CA 3.27Å; S579-P875 WeakPolarHBondContact OG-CA 3.37Å
876	R	27.6	Very low	29.4	Very low	123 Å²	123	151 Å²	151	46%	0.464	69%	0.686	S	S	.	*			trans	64.6	110.6	160.6	-86.2	-178.8	174.4	-110.1	-1.8	129.2	S578 S579 N580 D582	S578-R876 CarbonylContact O-C 3.52Å; S578-R876 WeakPolarHBondContact O-CA 3.25Å; S578-R876 PolarHBondContact O-N 3.41Å; S578-R876 VanDerWaalsContact O-O 3.13Å; S579-R876 VanDerWaalsContact CA-N 3.34Å; S579-R876 PolarHBondContact OG-N 2.86Å; N580-R876 WeakPolarHBondContact O-CG 3.18Å; N580-R876 PolarHBondContact O-NE 3.26Å; N580-R876 PolarHBondContact O-NH2 3.1Å; D582-R876 IonicContact OD2-NH2 3.77Å; D582-R876 PolarHBondContact OD2-NH2 3.2Å
877	E	27.5	Very low	29.3	Very low	108 Å²	108	155 Å²	155	51%	0.505	69%	0.693	S	S	.	*			trans	79.2	163.1	137.8	-70.7	173.2	-95.6	0	0	122.7	S578 S579	S578-E877 PolarHBondContact O-N 3.42Å; S579-E877 PolarHBondContact O-N 3.37Å
878	S	27.4	Very low	29.2	Very low	94 Å²	94	151.1 Å²	151.1	66%	0.657	69%	0.687	S	S	*	*			cis	-172.6	177.3	-29.3	-167.8	0	0	0	0	114.1
879	Y	28.5	Very low	29	Very low	215 Å²	215	153.3 Å²	153.3	84%	0.843	69%	0.69	S	S	*	*			trans	75.5	150.1	159.1	-94	-77.5	0	0	0	126.7
880	S	26.9	Very low	29	Very low	102 Å²	102	154.1 Å²	154.1	71%	0.713	69%	0.692	S	S	*	*			trans	79.5	112.9	140.9	-68.7	0	0	0	0	128.1
881	D	29	Very low	28.9	Very low	123 Å²	123	151.7 Å²	151.7	66%	0.658	69%	0.693	S	S	*	*				77.6	141.3	118.2	-149.6	30.1	0	0	0	127.1
882	R	27	Very low	29	Very low	220 Å²	220	154.3 Å²	154.3	83%	0.83	70%	0.701	S	S	*	*			trans	67	175.4	150.6	-98.6	173.4	-168.5	114.7	-8.6	125
883	H	27.5	Very low	29.1	Very low	164 Å²	164	151.6 Å²	151.6	76%	0.759	70%	0.698	S	S	*	*			trans	-138.4	143.2	-151.5	-98.4	-50	0	0	0	113.2
884	R	26.3	Very low	29.2	Very low	218 Å²	218	156.8 Å²	156.8	82%	0.823	70%	0.7	S	S	*	*			trans	68	143.2	161.6	-54.7	164.3	-176.4	170.4	0.8	114.9
885	Y	25.2	Very low	28.5	Very low	176 Å²	176	156.7 Å²	156.7	69%	0.69	70%	0.702	S	S	*	*				-162.9	170.3	68.3	-127.6	-105.6	0	0	0	114.6
886	R	27.1	Very low	27.8	Very low	161 Å²	161	163.2 Å²	163.2	61%	0.608	72%	0.718	S	S	*	*			trans	-3.2	149.6	168	-73.6	-177.2	-173	163.5	3.9	122.7
887	R	26.2	Very low	27.9	Very low	181 Å²	181	167.2 Å²	167.2	68%	0.683	73%	0.733	S	S	*	*				66.4	138.9	66.4	-119.7	-156.2	-63	144.8	-24.6	111.4
888	D	29.1	Very low	27.9	Very low	116 Å²	116	165.6 Å²	165.6	62%	0.62	73%	0.728	S	S	*	*			cis	-149.6	166.3	20.7	-83.1	-75.1	0	0	0	111.1
889	Y	25.8	Very low	27.8	Very low	220 Å²	220	173.1 Å²	173.1	86%	0.863	74%	0.742	S	S	*	*			trans	-177.9	158.7	147.2	-106.7	-76.6	0	0	0	110.4
890	R	28.7	Very low	27.7	Very low	209 Å²	209	171.3 Å²	171.3	79%	0.789	74%	0.739	S	S	*	*				-160.8	157.1	-64.2	-163.2	176.2	-169.7	174.2	2.2	107.3
891	D	27.6	Very low	28.5	Very low	138 Å²	138	171.5 Å²	171.5	74%	0.738	74%	0.738	S	S	*	*			trans	-64.1	156.4	-178.6	-51.6	-97.8	0	0	0	115.1
892	H	29.3	Very low	29.5	Very low	166 Å²	166	171 Å²	171	77%	0.769	74%	0.741	S	S	*	*				178	117.7	118.5	-94.7	28.7	0	0	0	112.6
893	H	28.6	Very low	29.4	Very low	174 Å²	174	167.2 Å²	167.2	81%	0.806	73%	0.733	S	S	*	*				-176.5	157.9	106.2	-113.6	-80.7	0	0	0	114.6
894	R	28.2	Very low	29.3	Very low	226 Å²	226	166.9 Å²	166.9	85%	0.853	73%	0.725	S	S	*	*			trans	-152.8	176.6	175.7	-106.6	179.6	175.7	171.2	-1.6	108
895	S	31.3	Very low	29.5	Very low	86 Å²	86	161.4 Å²	161.4	60%	0.601	72%	0.72	S	S	*	*			cis	-150	-157.1	17.5	-154.6	0	0	0	0	111.8
896	Y	29.9	Very low	29.6	Very low	207 Å²	207	160.8 Å²	160.8	81%	0.812	72%	0.718	S	S	*	*			trans	71.6	160.3	170.6	-49.7	-94.4	0	0	0	115.8
897	R	27.9	Very low	29.6	Very low	207 Å²	207	163.3 Å²	163.3	78%	0.781	73%	0.728	S	S	*	*			cis	-163.2	163.7	-40.3	-100.8	-159	94.7	179.4	4	107
898	D	28.7	Very low	29.6	Very low	74 Å²	74	161.1 Å²	161.1	40%	0.396	73%	0.729	S	S	.	*			cis	174.3	125.2	-26.5	166.6	21.2	0	0	0	109.9	F900	D898-F900 WeakPolarHBondContact OD1-CD2 3.38Å; D898-F900 WeakPolarHBondContact OD1-CE2 3.37Å
899	R	24.7	Very low	29.4	Very low	252 Å²	252	163.6 Å²	163.6	95%	0.951	74%	0.735	S	S	*	*			trans	-153.3	138.8	146.6	-102.1	-177.9	-168	-162.2	2.7	110
900	F	27.4	Very low	29.6	Very low	177 Å²	177	158.8 Å²	158.8	78%	0.776	72%	0.724	S	S	*	*			trans	-99	-176.3	-178	-79.2	-93.6	0	0	0	111.3	D898	D898-F900 WeakPolarHBondContact OD1-CD2 3.38Å; D898-F900 WeakPolarHBondContact OD1-CE2 3.37Å
901	P	43	Very low	29.5	Very low	106 Å²	106	159.5 Å²	159.5	69%	0.688	73%	0.727	S	S	*	*			cis	-137	-143.9	-44.4	40.4	-21.2	0	0	0	110.4
902	P	49.3	Very low	29.4	Very low	112 Å²	112	163.3 Å²	163.3	73%	0.727	73%	0.731	S	S	*	*				-112.6	-155.8	-52.5	35.7	-16.6	0	0	0	110.2
903	E	25.6	Very low	29.2	Very low	142 Å²	142	165.3 Å²	165.3	66%	0.664	74%	0.737	S	S	*	*			cis	-152.2	-175.9	6.6	-133.3	-46.5	46.5	0	0	109.7
904	R	26.2	Very low	29.1	Very low	156 Å²	156	163.7 Å²	163.7	59%	0.589	73%	0.73	S	S	*	*			trans	-138.7	144.1	179.3	133	-94.8	67.2	-104.7	-11.8	117.4
905	S	28.9	Very low	28.9	Very low	104 Å²	104	162.5 Å²	162.5	73%	0.727	73%	0.726	S	S	*	*			trans	-145.1	124.7	165.4	38.7	0	0	0	0	109.3
906	Y	28.6	Very low	28.6	Very low	162 Å²	162	167.1 Å²	167.1	64%	0.635	74%	0.743	S	S	*	*				70.4	138.8	78.4	-88.6	-97.9	0	0	0	112.8
907	W	27.6	Very low	28.3	Very low	214 Å²	214	161.9 Å²	161.9	81%	0.811	74%	0.737	S	S	*	*			cis	-140.7	156.5	37.7	-74.5	86.2	0	0	0	117.2	F909	W907-F909 HydrophobicContact CE3-CD2 4.42Å; W907-F909 HydrophobicContact CZ3-CD2 4.26Å
908	D	25	Very low	28.3	Very low	135 Å²	135	157.3 Å²	157.3	72%	0.722	74%	0.736	S	S	*	*			trans	-137.1	136.9	157.1	175.1	17.8	0	0	0	106.4
909	F	24.2	Very low	28.1	Very low	168 Å²	168	162.5 Å²	162.5	74%	0.737	76%	0.758	S	S	*	*			trans	-163.9	91.3	167.7	-126.2	-81	0	0	0	115.6	W907	W907-F909 HydrophobicContact CE3-CD2 4.42Å; W907-F909 HydrophobicContact CZ3-CD2 4.26Å
910	D	30.4	Very low	28	Very low	120 Å²	120	156 Å²	156	64%	0.642	75%	0.751	S	S	*	*				69	166.4	128.6	-154.7	20.9	0	0	0	122.6
911	R	27.1	Very low	27.9	Very low	223 Å²	223	157.5 Å²	157.5	84%	0.842	75%	0.752	S	S	*	*			trans	-154.5	94.1	-178.4	178.4	-143.2	-66.7	-161.8	-3.7	111.4
912	R	25.7	Very low	27	Very low	219 Å²	219	160.1 Å²	160.1	83%	0.826	76%	0.755	S	S	*	*			trans	-164.7	114.2	161.5	-132.2	176.4	-66.9	-169.7	1.3	117.2
913	K	24.8	Very low	26	Very low	207 Å²	207	161.8 Å²	161.8	90%	0.9	75%	0.752	S	S	*	*				176.8	164.3	110.6	-101.9	-178	176	178.5	0	113.2
914	E	25.9	Very low	26	Very low	141 Å²	141	160.1 Å²	160.1	66%	0.659	75%	0.748	S	S	*	*			trans	-107.6	154	175.7	-94.1	-162.1	102.7	0	0	111.6
915	R	24.6	Very low	26	Very low	201 Å²	201	162.2 Å²	162.2	76%	0.758	76%	0.756	S	S	*	*			trans	56.6	122.3	152.6	-62.3	168.5	-150.5	179.3	12.3	119.4
916	L	26.2	Very low	25.9	Very low	182 Å²	182	163.2 Å²	163.2	95%	0.953	75%	0.753	S	S	*	*				-158.8	169.2	106.8	-105.9	163.6	0	0	0	111.9
917	S	23.7	Very low	25.9	Very low	98 Å²	98	165 Å²	165	69%	0.685	76%	0.759	S	S	*	*			trans	-91.4	153.2	-159.9	175.5	0	0	0	0	115
918	S	26.2	Very low	25.8	Very low	111 Å²	111	165.7 Å²	165.7	78%	0.776	76%	0.761	S	S	*	*				148.6	155.7	120.2	-72.1	0	0	0	0	115.3
919	H	24.9	Very low	25.9	Very low	183 Å²	183	163.2 Å²	163.2	85%	0.847	75%	0.754	S	S	*	*			trans	-79.3	156.1	-178.7	-73.6	-95.8	0	0	0	114.3
920	S	23.7	Very low	26.1	Very low	116 Å²	116	164.8 Å²	164.8	81%	0.811	76%	0.757	S	S	*	*				-154.8	175.7	119.8	-155.1	0	0	0	0	111.9
921	W	24	Very low	25.9	Very low	208 Å²	208	166.7 Å²	166.7	79%	0.788	76%	0.762	S	S	*	*			trans	-84.8	-175.9	176.7	-66.7	50.3	0	0	0	109.3
922	E	25	Very low	25.9	Very low	161 Å²	161	160.6 Å²	160.6	75%	0.752	75%	0.753	S	S	*	*			cis	-164.8	-161.4	27.4	-154.9	147.5	-129.8	0	0	113.4
923	H	26.9	Very low	25.9	Very low	146 Å²	146	154.5 Å²	154.5	68%	0.676	74%	0.744	S	S	*	*			trans	-50.4	171.8	177.2	-83.7	-124.7	0	0	0	117
924	D	26.2	Very low	26.1	Very low	108 Å²	108	152.5 Å²	152.5	58%	0.578	74%	0.738	S	S	*	*			cis	-155	175.1	7.4	-137.5	-42.7	0	0	0	113.9
925	R	26.4	Very low	26.2	Very low	200 Å²	200	149.7 Å²	149.7	76%	0.755	73%	0.733	S	S	*	*			trans	17.3	133.4	147.1	-86.5	167.1	-125.4	-152.7	-4.8	124.9
926	D	27.1	Very low	26.4	Very low	124 Å²	124	148.9 Å²	148.9	66%	0.663	73%	0.731	S	S	*	*				119.9	141	112.5	-105.4	-44.4	0	0	0	122.1
927	R	27.7	Very low	26.5	Very low	199 Å²	199	147.1 Å²	147.1	75%	0.751	72%	0.718	S	S	*	*			trans	52.1	124	154.2	-74.9	165.4	-172	-145.9	-0.7	123.4
928	R	27.2	Very low	26.8	Very low	229 Å²	229	150.1 Å²	150.1	86%	0.864	71%	0.714	S	S	*	*				40.9	139.7	119.8	-56.8	-177.5	-176.7	-168.2	0.4	118.5
929	S	26.1	Very low	26.7	Very low	83 Å²	83	156 Å²	156	58%	0.58	72%	0.72	S	S	*	*			cis	-174.3	165.8	21.7	-128.4	0	0	0	0	114.1
930	Y	27.9	Very low	27	Very low	201 Å²	201	152.5 Å²	152.5	79%	0.788	71%	0.708	S	S	*	*			trans	63	141.1	151.3	-64.6	-50.1	0	0	0	124.4
931	H	26.8	Very low	27.1	Very low	161 Å²	161	150.4 Å²	150.4	75%	0.745	71%	0.705	S	S	*	*			trans	37.1	132.5	147.8	-71.6	-86.5	0	0	0	121.4
932	S	26	Very low	27.6	Very low	95 Å²	95	147.3 Å²	147.3	66%	0.664	70%	0.704	S	S	*	*				71.9	131	50.2	-170.9	0	0	0	0	111.9
933	S	27.5	Very low	27.9	Very low	90 Å²	90	147.1 Å²	147.1	63%	0.629	70%	0.703	S	S	*	*			cis	-165.2	161.6	2.9	-103.8	0	0	0	0	113
934	H	28.8	Very low	28.1	Very low	166 Å²	166	146 Å²	146	77%	0.769	70%	0.698	S	S	*	*			trans	52.6	127.9	145.8	-81	-92.1	0	0	0	123.5
935	C	27.9	Very low	28.4	Very low	82 Å²	82	148.9 Å²	148.9	55%	0.554	70%	0.701	S	S	*	*				88.3	161.8	127	-78.3	0	0	0	0	120.3
936	Y	27.3	Very low	28.5	Very low	183 Å²	183	150 Å²	150	72%	0.718	71%	0.705	S	S	*	*			cis	-159.9	150.5	-1.7	-121.5	-42.8	0	0	0	111.4
937	H	29.7	Very low	28.3	Very low	146 Å²	146	147.6 Å²	147.6	68%	0.676	71%	0.71	S	S	*	*			trans	54.8	173.6	145.8	-79.2	-40.6	0	0	0	119.7
938	R	29.1	Very low	28.3	Very low	160 Å²	160	149.2 Å²	149.2	60%	0.604	72%	0.718	S	S	*	*			cis	-152.5	174.8	-12.3	-130.9	-163.4	-135.6	-173.4	0.9	109.4	D940	R938-D940 WeakPolarHBondContact CD-OD2 3.34Å; R938-D940 IonicContact CZ-OD1 3.37Å; R938-D940 IonicContact CZ-OD2 2.66Å; R938-D940 IonicContact NE-OD1 3.84Å; R938-D940 IonicContact NE-OD2 2.68Å; R938-D940 IonicContact NH1-OD1 2.75Å; R938-D940 PolarHBondContact NH1-OD1 2.91Å; R938-D940 IonicContact NH1-OD2 3.07Å; R938-D940 PolarHBondContact NH1-OD2 3.42Å
939	Y	25	Very low	29.2	Very low	234 Å²	234	144.2 Å²	144.2	92%	0.918	72%	0.715	S	S	*	*			trans	-152.8	151.9	131.7	-110.9	-75.7	0	0	0	110
940	D	31.2	Very low	29.2	Very low	110 Å²	110	148.7 Å²	148.7	59%	0.588	73%	0.726	S	S	*	*			trans	-118.3	177.2	-173.1	-69.8	-65.6	0	0	0	112.6	R938	R938-D940 WeakPolarHBondContact CD-OD2 3.34Å; R938-D940 IonicContact CZ-OD1 3.37Å; R938-D940 IonicContact CZ-OD2 2.66Å; R938-D940 IonicContact NE-OD1 3.84Å; R938-D940 IonicContact NE-OD2 2.68Å; R938-D940 IonicContact NH1-OD1 2.75Å; R938-D940 PolarHBondContact NH1-OD1 2.91Å; R938-D940 IonicContact NH1-OD2 3.07Å; R938-D940 PolarHBondContact NH1-OD2 3.42Å
941	G	26.3	Very low	30.2	Very low	73 Å²	73	143.2 Å²	143.2	75%	0.753	72%	0.715	S	S	*	*			trans	-174.2	119.6	169.3	0	0	0	0	0	114.4
942	D	33.3	Very low	30.2	Very low	143 Å²	143	142.5 Å²	142.5	77%	0.765	71%	0.712	S	S	*	*			trans	-89.7	-168	-176.8	-58.3	-84.5	0	0	0	112.9
943	H	32.5	Very low	30.3	Very low	157 Å²	157	145.1 Å²	145.1	73%	0.727	71%	0.714	S	S	*	*			cis	-171.9	155.8	25.2	-132.7	-45.1	0	0	0	114
944	E	30.3	Very low	30.4	Very low	123 Å²	123	145.6 Å²	145.6	58%	0.575	72%	0.717	S	S	*	*			trans	76.5	154.8	151.5	-52.6	-119.5	132	0	0	121.5
945	R	31.8	Very low	30.4	Very low	167 Å²	167	146.3 Å²	146.3	63%	0.63	72%	0.721	S	S	*	*			cis	-165.5	148.2	-24.7	-107.3	-166.6	-161.6	-169.1	17.8	115.3
946	R	28.9	Very low	30.3	Very low	223 Å²	223	146.8 Å²	146.8	84%	0.842	72%	0.724	S	S	*	*			trans	54.6	141	143.2	-67.3	-175.5	176.3	-164.7	-3.6	125.3
947	G	22.7	Very low	30.2	Very low	74 Å²	74	147.4 Å²	147.4	76%	0.763	73%	0.727	S	S	*	*			trans	169.8	132.9	153	0	0	0	0	0	118.1
948	Y	27.8	Very low	30	Very low	234 Å²	234	149 Å²	149	92%	0.918	73%	0.727	S	S	*	*			trans	-166	158.4	170.4	-101.4	-72.7	0	0	0	107.4
949	P	46.1	Very low	29.8	Very low	124 Å²	124	151.2 Å²	151.2	81%	0.805	74%	0.736	S	S	*	*			cis	-150.8	-154	49.7	44	-19.9	0	0	0	117.8
950	H	26.7	Very low	29.9	Very low	177 Å²	177	144.5 Å²	144.5	82%	0.819	72%	0.723	S	S	*	*			trans	-62.2	-171.4	-176	-128.9	7.1	0	0	0	117.5
951	P	48.8	Very low	29.9	Very low	86 Å²	86	146.9 Å²	146.9	56%	0.558	73%	0.73	S	S	*	*			cis	-145	-178.3	-0.2	42.1	-21	0	0	0	119.5
952	Q	27.1	Very low	30.2	Very low	146 Å²	146	150.4 Å²	150.4	68%	0.682	73%	0.725	S	S	*	*			trans	64.6	152.3	139.2	-86.8	173.6	-49.3	0	0	123.8
953	E	27.7	Very low	30	Very low	149 Å²	149	150 Å²	150	70%	0.696	72%	0.723	S	S	*	*			cis	-156.7	161.3	-9.8	-163.7	146.6	-114.1	0	0	115.2
954	S	28.8	Very low	29.7	Very low	100 Å²	100	145.6 Å²	145.6	70%	0.699	72%	0.72	S	S	*	*			trans	79.1	160.2	160.7	86.1	0	0	0	0	116.4
955	H	29.4	Very low	29.7	Very low	182 Å²	182	151.3 Å²	151.3	84%	0.843	74%	0.736	S	S	*	*			cis	-158.6	169.2	-10.8	-123.7	150.7	0	0	0	106.6
956	S	26.8	Very low	29.5	Very low	91 Å²	91	150.3 Å²	150.3	64%	0.636	74%	0.739	S	S	*	*			cis	-154.4	-159.9	-0.7	52.6	0	0	0	0	106.7
957	Y	24.8	Very low	29.6	Very low	197 Å²	197	148.7 Å²	148.7	77%	0.773	73%	0.734	S	S	*	*			cis	-155.8	135.9	9.4	-163.8	-98.7	0	0	0	109.9
958	W	24.9	Very low	29.7	Very low	178 Å²	178	155.6 Å²	155.6	67%	0.674	74%	0.737	S	S	*	*			trans	21.8	127.2	164.9	-72.3	109.5	0	0	0	125.9
959	R	25.3	Very low	29.9	Very low	208 Å²	208	147.2 Å²	147.2	79%	0.785	72%	0.717	S	S	*	*			trans	67.5	148.9	142.8	-81.6	150.4	-164.3	-109.1	3.6	120.6
960	S	26.9	Very low	29	Very low	92 Å²	92	150 Å²	150	64%	0.643	72%	0.721	S	S	*	*			cis	-176.9	130.4	-21.1	-178.7	0	0	0	0	113.2
961	Q	32	Very low	29.1	Very low	160 Å²	160	149.8 Å²	149.8	75%	0.748	72%	0.717	S	S	*	*			trans	36.2	151.3	132.5	-59.8	-164.1	4.1	0	0	121.7
962	K	32.1	Very low	28.3	Very low	148 Å²	148	151 Å²	151	64%	0.643	72%	0.719	S	S	*	*			cis	-178.4	-173.4	8.8	-118.8	-176.4	171.4	-149.3	0	111.1
963	D	27.9	Very low	28.4	Very low	134 Å²	134	150.9 Å²	150.9	72%	0.717	72%	0.716	S	S	*	*			cis	-127.9	-113.7	-5.8	-146.9	-9.1	0	0	0	112.7
964	G	26	Very low	28.4	Very low	65 Å²	65	153.1 Å²	153.1	67%	0.67	72%	0.719	S	S	*	*			cis	-172.1	-173.4	3.3	0	0	0	0	0	113.3
965	R	31.6	Very low	28.4	Very low	242 Å²	242	155 Å²	155	91%	0.913	72%	0.721	S	S	*	*			trans	-166.2	161.5	-164.7	-173.3	-177.8	-58.8	-124.7	1	113.4
966	E	28.1	Very low	28.3	Very low	146 Å²	146	149.2 Å²	149.2	68%	0.682	71%	0.711	S	S	*	*			trans	-143.6	-173.1	155.7	-128.5	-54.8	94.2	0	0	111.9	W968	E966-W968 VanDerWaalsContact OE2-CD1 3.3Å
967	Y	29.3	Very low	28.3	Very low	190 Å²	190	155.8 Å²	155.8	75%	0.745	72%	0.722	S	S	*	*			trans	-148.7	-120.9	-156.8	-177.9	-137.9	0	0	0	115.5	A969	Y967-A969 HydrophobicContact CE1-CB 4.19Å; Y967-A969 HydrophobicContact CE2-CB 4.1Å
968	W	26.2	Very low	28.4	Very low	218 Å²	218	152 Å²	152	83%	0.826	72%	0.715	S	S	*	*			trans	65.7	152.1	-169	-66.7	87.9	0	0	0	118.8	E966	E966-W968 VanDerWaalsContact OE2-CD1 3.3Å
969	A	31	Very low	28.5	Very low	59 Å²	59	152.5 Å²	152.5	49%	0.488	72%	0.717	S	S	.	*			trans	-162.8	-165.4	-135.7	0	0	0	0	0	116	Y967	Y967-A969 HydrophobicContact CE1-CB 4.19Å; Y967-A969 HydrophobicContact CE2-CB 4.1Å
970	M	27.7	Very low	28.5	Very low	182 Å²	182	149.3 Å²	149.3	90%	0.897	71%	0.711	S	S	*	*			trans	88.8	131.2	-179.6	-57.7	-174.4	171.7	0	0	115.9
971	K	29.2	Very low	28.3	Very low	172 Å²	172	151.1 Å²	151.1	75%	0.748	71%	0.709	S	S	*	*			cis	97.1	97.9	7.7	-169.8	-162.3	172.7	-175.4	0	117
972	D	30.9	Very low	28	Very low	111 Å²	111	152.8 Å²	152.8	59%	0.594	71%	0.708	S	S	*	*				-179.4	142.9	121.6	-104.3	-13.2	0	0	0	109.4
973	K	30.3	Very low	27.6	Very low	144 Å²	144	150.7 Å²	150.7	63%	0.626	71%	0.713	S	S	*	*				58.4	142.5	88.4	-63.5	-168	-158.2	103.2	0	114.6
974	R	27.8	Very low	27.5	Very low	197 Å²	197	149.7 Å²	149.7	74%	0.743	72%	0.716	S	S	*	*			cis	-156.5	166.5	11.9	-132.7	-175.2	-78.5	-157.3	-1.6	111.2
975	N	28.1	Very low	27.9	Very low	138 Å²	138	152.6 Å²	152.6	74%	0.738	73%	0.726	S	S	*	*			trans	21.1	145.2	153.4	-53.2	-2	0	0	0	121.3
976	G	28.1	Very low	28	Very low	62 Å²	62	147 Å²	147	64%	0.639	72%	0.721	S	S	*	*			cis	120.7	160.2	2.1	0	0	0	0	0	113.9
977	W	26.1	Very low	28.1	Very low	228 Å²	228	145 Å²	145	86%	0.864	73%	0.729	S	S	*	*			trans	73.6	144.7	173.3	-57.8	30.3	0	0	0	113.4
978	D	26.7	Very low	27.8	Very low	117 Å²	117	140 Å²	140	63%	0.626	73%	0.727	S	S	*	*			cis	-148.3	152	-4.5	-104.8	-23.4	0	0	0	107.4
979	R	26.7	Very low	27.7	Very low	190 Å²	190	136 Å²	136	72%	0.717	73%	0.727	S	S	*	*				80	136.1	52.7	-163.7	-178.7	-179.9	-144.5	-13.4	113
980	E	25.1	Very low	27.4	Very low	141 Å²	141	137.6 Å²	137.6	66%	0.659	74%	0.74	S	S	*	*			cis	-105	-112.6	-7.6	-158.3	107.7	-92.1	0	0	109.3
981	E	23.8	Very low	27.3	Very low	129 Å²	129	135.7 Å²	135.7	60%	0.603	73%	0.733	S	S	*	*			cis	-154.8	177	-22.5	-142.8	-156.7	179.7	0	0	110.3
982	R	25.5	Very low	27	Very low	195 Å²	195	135.1 Å²	135.1	74%	0.736	73%	0.733	S	S	*	*			trans	34	100.8	158.1	-73.8	176.5	-146.9	-95.3	-22.1	122.1
983	S	24.2	Very low	26.8	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	74%	0.735	S	S	*	*				-22.9	136.9	126.2	53.7	0	0	0	0	118
984	S	24.3	Very low	26.8	Very low	112 Å²	112	135.5 Å²	135.5	78%	0.783	75%	0.746	S	S	*	*				172.1	136.8	123.6	-76.8	0	0	0	0	112.4
985	S	34.9	Very low	26.8	Very low	126 Å²	126	134.5 Å²	134.5	88%	0.881	75%	0.747	S	S	*	*			trans	-95.7	133.2	156.3	-56.9	0	0	0	0	109.4
986	P	33.9	Very low	26.7	Very low	125 Å²	125	133.9 Å²	133.9	81%	0.812	75%	0.75	S	S	*	*			trans	-136.6	169.9	135.8	37.2	-25.6	0	0	0	112.6
987	A	30	Very low	26.5	Very low	103 Å²	103	138.8 Å²	138.8	85%	0.851	75%	0.754	S	S	*	*			trans	-115.4	144.8	177.2	0	0	0	0	0	111.9
988	A	23.9	Very low	26.5	Very low	86 Å²	86	135.2 Å²	135.2	71%	0.711	75%	0.752	S	S	*	*			trans	-156.8	121	162.6	0	0	0	0	0	106.7
989	T	22.9	Very low	26.4	Very low	134 Å²	134	140.4 Å²	140.4	82%	0.822	76%	0.763	S	S	*	*				77.7	128.5	58.6	58.4	0	0	0	0	116.4
990	A	25.9	Very low	26.2	Very low	92 Å²	92	139.1 Å²	139.1	76%	0.76	77%	0.769	S	S	*	*			trans	75.2	158.9	167.4	0	0	0	0	0	115.8
991	L	24.4	Very low	26	Very low	142 Å²	142	137.4 Å²	137.4	74%	0.743	77%	0.771	S	S	*	*			cis	-147.2	135.9	19.7	-147.4	120.4	0	0	0	111.9
992	E	24.4	Very low	26	Very low	161 Å²	161	137.7 Å²	137.7	75%	0.752	78%	0.777	S	S	*	*			trans	55.4	167.1	151.7	-68.2	-164.2	-169.8	0	0	121.7
993	T	25	Very low	25.9	Very low	102 Å²	102	136.8 Å²	136.8	63%	0.626	78%	0.779	S	S	*	*			cis	-145.3	141.6	-22.5	9.6	0	0	0	0	109.2
994	N	30.6	Very low	26	Very low	160 Å²	160	140.1 Å²	140.1	86%	0.856	79%	0.789	S	S	*	*				178.6	146.3	126.1	-98.4	-53.3	0	0	0	112.7
995	K	27.9	Very low	25.9	Very low	177 Å²	177	138.6 Å²	138.6	77%	0.77	78%	0.778	S	S	*	*			trans	-100.5	165.6	164.5	-62.7	174.5	-175.5	164.7	0	107.6
996	P	25.9	Very low	25.4	Very low	125 Å²	125	137.6 Å²	137.6	81%	0.812	77%	0.766	S	S	*	*				-109.8	164	71.8	34.2	-36.9	0	0	0	113.7
997	K	24.6	Very low	25.1	Very low	165 Å²	165	139.9 Å²	139.9	72%	0.717	77%	0.771	S	S	*	*			trans	-154.8	58.1	176.5	-154.1	176.1	-171.6	173.9	0	113.6	R999	K997-R999 VanDerWaalsContact O-CB 3.3Å; K997-R999 WeakPolarHBondContact O-CB 3.43Å
998	D	25.2	Very low	24.9	Very low	153 Å²	153	142.6 Å²	142.6	82%	0.818	76%	0.763	S	S	*	*			trans	-96.9	125.7	162.1	-51.4	-57.5	0	0	0	107.7
999	R	25.2	Very low	24.9	Very low	226 Å²	226	148.7 Å²	148.7	85%	0.853	77%	0.768	S	S	*	*			cis	73.9	57.4	-0.1	-139.4	-175.5	-157	-143.4	3.2	117.8	K997	K997-R999 VanDerWaalsContact O-CB 3.3Å; K997-R999 WeakPolarHBondContact O-CB 3.43Å
1000	L	22.2	Very low	24.9	Very low	162 Å²	162	149.5 Å²	149.5	85%	0.848	76%	0.763	S	S	*	*			trans	-125.5	126.9	141.8	-107.3	158.3	0	0	0	110.3
1001	C	21.5	Very low	25	Very low	105 Å²	105	152.3 Å²	152.3	71%	0.709	76%	0.76	S	S	*	*			trans	-74	146.1	156.4	-52.5	0	0	0	0	107.6
1002	N	24.4	Very low	25.6	Very low	135 Å²	135	151.3 Å²	151.3	72%	0.722	76%	0.762	S	S	*	*			trans	-179.3	122.3	134.4	-91.2	-12.4	0	0	0	109.3
1003	F	23.6	Very low	25.5	Very low	177 Å²	177	148 Å²	148	78%	0.776	76%	0.757	S	S	*	*				61.9	95.9	90.4	-90.1	-86.7	0	0	0	112.9
1004	N	25.8	Very low	25.5	Very low	175 Å²	175	149 Å²	149	94%	0.936	76%	0.758	S	S	*	*			trans	-136.9	141.4	133.5	-108.4	-34.7	0	0	0	108.2
1005	S	22.3	Very low	25.1	Very low	80 Å²	80	151.1 Å²	151.1	56%	0.559	76%	0.76	S	S	*	*			trans	-142	169.4	-167.9	63.6	0	0	0	0	112
1006	T	24.6	Very low	24.9	Very low	104 Å²	104	153 Å²	153	64%	0.638	76%	0.762	S	S	*	*			trans	68.1	93.3	169.7	66.4	0	0	0	0	118.2
1007	L	27.6	Very low	25.4	Very low	174 Å²	174	152.6 Å²	152.6	91%	0.911	76%	0.759	S	S	*	*				-149.6	139.5	121.9	-94.3	177.3	0	0	0	108
1008	K	24.5	Very low	25.3	Very low	159 Å²	159	149 Å²	149	69%	0.691	76%	0.761	S	S	*	*				-168.5	155.5	-59.7	-115.9	-177.2	177.2	175.6	0	106.4
1009	R	24.4	Very low	25.2	Very low	215 Å²	215	145.9 Å²	145.9	81%	0.811	76%	0.756	S	S	*	*			trans	71	140.8	160.3	-80.4	-178.5	94.4	158.6	3.9	116.2
1010	E	23.5	Very low	25.2	Very low	151 Å²	151	143 Å²	143	71%	0.706	75%	0.752	S	S	*	*			cis	-131.2	163.8	3.3	-67.7	-149.9	114.1	0	0	115.3
1011	E	26.8	Very low	25.3	Very low	151 Å²	151	141.4 Å²	141.4	71%	0.706	74%	0.743	S	S	*	*			trans	-50.1	172.6	152.9	-82.7	-81.6	123.8	0	0	112.9	S1013	E1011-S1013 WeakPolarHBondContact OE2-CA 3.47Å; E1011-S1013 WeakPolarHBondContact OE2-CB 3.22Å
1012	P	37.8	Very low	25.5	Very low	121 Å²	121	146.8 Å²	146.8	79%	0.786	75%	0.749	S	S	*	*			cis	-130.3	175.4	17.4	18.3	8.3	0	0	0	115.6
1013	S	22.2	Very low	25.6	Very low	92 Å²	92	147.2 Å²	147.2	64%	0.643	74%	0.744	S	S	*	*			cis	-163.3	170	-17.5	57.3	0	0	0	0	110.9	E1011	E1011-S1013 WeakPolarHBondContact OE2-CA 3.47Å; E1011-S1013 WeakPolarHBondContact OE2-CB 3.22Å
1014	D	25.8	Very low	25.7	Very low	122 Å²	122	144.9 Å²	144.9	65%	0.652	74%	0.736	S	S	*	*			trans	-48.6	159.8	157.4	-123.8	-61.3	0	0	0	112.6	R1016	D1014-R1016 PolarHBondContact OD1-N 2.72Å
1015	K	21	Very low	25.8	Very low	204 Å²	204	145.2 Å²	145.2	89%	0.887	72%	0.724	S	S	*	*				-153.9	122.1	77.8	-89.4	173.2	-175.5	172.7	0	115.9
1016	R	25	Very low	25.9	Very low	217 Å²	217	148.1 Å²	148.1	82%	0.819	73%	0.729	S	S	*	*				-66.8	166.5	129.5	-89.7	-178.5	176.1	-174.6	0.6	110	D1014	D1014-R1016 PolarHBondContact OD1-N 2.72Å
1017	P	36.2	Very low	25.9	Very low	117 Å²	117	149.8 Å²	149.8	76%	0.76	73%	0.734	S	S	*	*			cis	-147.7	-158.3	34.4	44.8	-23.3	0	0	0	115.7
1018	A	22.3	Very low	26	Very low	90 Å²	90	145.8 Å²	145.8	74%	0.744	72%	0.72	S	S	*	*			trans	67.7	130.9	173	0	0	0	0	0	115.4
1019	A	23.6	Very low	26.1	Very low	86 Å²	86	143.5 Å²	143.5	71%	0.711	72%	0.724	S	S	*	*			cis	78.6	140.1	21.6	0	0	0	0	0	116.2
1020	H	24	Very low	26.3	Very low	167 Å²	167	139.8 Å²	139.8	77%	0.773	72%	0.716	S	S	*	*			trans	75.1	109.4	173	-77.6	-86.4	0	0	0	120.5
1021	L	25.3	Very low	26.4	Very low	128 Å²	128	136.2 Å²	136.2	67%	0.67	72%	0.72	S	S	*	*				93.2	127.5	126.7	-70.9	168	0	0	0	121
1022	R	25.6	Very low	26.4	Very low	218 Å²	218	136.6 Å²	136.6	82%	0.823	72%	0.715	S	S	*	*			trans	74.8	155.1	141.9	-71.3	172	-179.8	-171.8	0.8	116.9
1023	K	25.8	Very low	25.9	Very low	143 Å²	143	140.7 Å²	140.7	62%	0.622	71%	0.714	S	S	*	*			cis	-172.9	144.4	-19.5	168.9	167.8	179.2	-85.1	0	108.2
1024	E	26.3	Very low	26.1	Very low	128 Å²	128	143.9 Å²	143.9	60%	0.598	72%	0.719	S	S	*	*			trans	67.9	139.6	159.2	-82.9	163.3	-176.8	0	0	121.7
1025	R	26.6	Very low	26	Very low	182 Å²	182	142.1 Å²	142.1	69%	0.687	72%	0.715	S	S	*	*			trans	76.2	133.8	131.1	-72.9	177.4	118.4	128	15	123
1026	E	25.1	Very low	26.1	Very low	142 Å²	142	140.9 Å²	140.9	66%	0.664	71%	0.71	S	S	*	*				36.1	136	114.1	-51.4	164.7	175.1	0	0	117.7
1027	D	24.2	Very low	25.9	Very low	139 Å²	139	135.7 Å²	135.7	74%	0.743	71%	0.705	S	S	*	*			cis	-160.2	173.5	7.1	-147.1	-26.1	0	0	0	113.3
1028	S	29.6	Very low	25.3	Very low	90 Å²	90	138.3 Å²	138.3	63%	0.629	71%	0.709	S	S	*	*			trans	9.6	142	145.9	-66.7	0	0	0	0	120.3
1029	S	27.3	Very low	25.5	Very low	111 Å²	111	140.5 Å²	140.5	78%	0.776	71%	0.709	S	S	*	*				-159.6	133.3	65.5	20.7	0	0	0	0	112.6
1030	E	28.8	Very low	25.5	Very low	136 Å²	136	145.6 Å²	145.6	64%	0.636	72%	0.715	S	S	*	*				55	128.8	94.5	-76.2	-134.5	116.5	0	0	115.5	R1032	E1030-R1032 VanDerWaalsContact OE1-CG 3.25Å; E1030-R1032 WeakPolarHBondContact OE1-CG 3.45Å; E1030-R1032 IonicContact OE1-CZ 2.63Å; E1030-R1032 IonicContact OE1-NE 2.74Å; E1030-R1032 PolarHBondContact OE1-NE 3.36Å; E1030-R1032 IonicContact OE1-NH2 3.9Å; E1030-R1032 IonicContact OE2-CZ 2.99Å; E1030-R1032 IonicContact OE2-NE 2.64Å; E1030-R1032 PolarHBondContact OE2-NE 2.84Å; E1030-R1032 IonicContact OE2-NH2 3.76Å; E1030-R1032 PolarHBondContact OE2-NH2 2.97Å
1031	G	24.8	Very low	25.4	Very low	76 Å²	76	142.1 Å²	142.1	78%	0.784	71%	0.709	S	S	*	*			cis	-178.9	-149.5	3.4	0	0	0	0	0	112.6
1032	R	28.4	Very low	25.5	Very low	160 Å²	160	144.8 Å²	144.8	60%	0.604	72%	0.715	S	S	*	*			cis	-163.2	149.9	5.1	-130.2	-175.4	-168	-167.9	8.8	111.5	E1030	E1030-R1032 VanDerWaalsContact OE1-CG 3.25Å; E1030-R1032 WeakPolarHBondContact OE1-CG 3.45Å; E1030-R1032 IonicContact OE1-CZ 2.63Å; E1030-R1032 IonicContact OE1-NE 2.74Å; E1030-R1032 PolarHBondContact OE1-NE 3.36Å; E1030-R1032 IonicContact OE1-NH2 3.9Å; E1030-R1032 IonicContact OE2-CZ 2.99Å; E1030-R1032 IonicContact OE2-NE 2.64Å; E1030-R1032 PolarHBondContact OE2-NE 2.84Å; E1030-R1032 IonicContact OE2-NH2 3.76Å; E1030-R1032 PolarHBondContact OE2-NH2 2.97Å
1033	R	26.6	Very low	25.5	Very low	206 Å²	206	143.8 Å²	143.8	78%	0.777	72%	0.72	S	S	*	*			trans	69.5	160.3	155.2	-67.8	-176.2	-84.6	-154.5	-5.7	119.7
1034	H	26.4	Very low	25.6	Very low	160 Å²	160	147 Å²	147	74%	0.741	73%	0.728	S	S	*	*			cis	-175.4	131.5	-40	-152.4	70.1	0	0	0	110.4
1035	C	23.3	Very low	25.6	Very low	84 Å²	84	150.3 Å²	150.3	57%	0.568	74%	0.741	S	S	*	*			trans	56.6	-178.9	154.1	-78.7	0	0	0	0	117.8
1036	K	22.2	Very low	25.5	Very low	178 Å²	178	152.9 Å²	152.9	77%	0.774	75%	0.751	S	S	*	*			cis	-148.8	166.6	-37.4	-114.1	165.9	-173.8	163.3	0	109.2
1037	C	22.6	Very low	25.5	Very low	108 Å²	108	156.3 Å²	156.3	73%	0.73	76%	0.758	S	S	*	*			trans	-6.8	137.4	159.6	-47.1	0	0	0	0	119.1
1038	M	22.7	Very low	25.5	Very low	172 Å²	172	157.7 Å²	157.7	85%	0.847	76%	0.764	S	S	*	*				-162.6	155.3	107.4	-109.8	-63.3	153.6	0	0	115.5
1039	N	26.9	Very low	25.4	Very low	136 Å²	136	162.2 Å²	162.2	73%	0.727	77%	0.772	S	S	*	*			trans	-75.9	171.6	-177.8	-80.9	-63.3	0	0	0	114.5
1040	K	23	Very low	25.2	Very low	193 Å²	193	162.9 Å²	162.9	84%	0.839	77%	0.772	S	S	*	*			trans	90.7	109.3	156.6	-52.5	170.6	-175.7	170.6	0	117.3
1041	S	23	Very low	25.1	Very low	94 Å²	94	164.1 Å²	164.1	66%	0.657	78%	0.783	S	S	*	*				-163.1	125.1	109.1	-92.1	0	0	0	0	116.2
1042	K	26.1	Very low	25.2	Very low	184 Å²	184	167 Å²	167	80%	0.8	78%	0.779	S	S	*	*				44.5	77.5	122.6	-52.5	167.9	-175	169.6	0	117.3	R1044	K1042-R1044 PolarHBondContact O-N 2.96Å
1043	E	26.1	Very low	25.2	Very low	198 Å²	198	166.4 Å²	166.4	93%	0.925	78%	0.783	S	S	*	*			trans	-72.8	117.5	160.5	-165.1	168.5	-136.4	0	0	110
1044	R	27.3	Very low	25.3	Very low	209 Å²	209	159.7 Å²	159.7	79%	0.789	76%	0.76	S	S	*	*			trans	-83.4	124.1	-177.1	-80.6	176.3	161.2	167.8	-7.2	110.4	K1042 W1046	K1042-R1044 PolarHBondContact O-N 2.96Å; R1044-W1046 PolarHBondContact O-N 3.39Å
1045	K	26.3	Very low	25.4	Very low	199 Å²	199	156.8 Å²	156.8	87%	0.865	75%	0.745	S	S	*	*			trans	-55.3	105.2	171.4	-91.9	175.3	175.5	161.8	0	111.3
1046	W	24.5	Very low	25.6	Very low	235 Å²	235	158.9 Å²	158.9	89%	0.89	75%	0.75	S	S	*	*			trans	-96.2	114.8	156.9	-76.6	102.5	0	0	0	109.4	R1044	R1044-W1046 PolarHBondContact O-N 3.39Å
1047	R	25.8	Very low	25.9	Very low	214 Å²	214	158.3 Å²	158.3	81%	0.808	74%	0.743	S	S	*	*			trans	-92	124.3	165.6	-75.7	177.4	166	178.7	-4.4	107.5
1048	L	25.1	Very low	26.3	Very low	169 Å²	169	156.3 Å²	156.3	89%	0.885	73%	0.731	S	S	*	*			trans	-115.4	118.2	155.3	-156.8	68.6	0	0	0	108.2
1049	K	26	Very low	26.6	Very low	184 Å²	184	152.4 Å²	152.4	80%	0.8	72%	0.72	S	S	*	*			trans	-84.2	140.3	167.4	-68.7	178.5	176.3	-179.7	0	107.5
1050	V	24.5	Very low	26.5	Very low	125 Å²	125	152.7 Å²	152.7	76%	0.758	72%	0.722	S	S	*	*			trans	-110.7	129.3	153.8	176.8	0	0	0	0	106.4
1051	N	25.3	Very low	27.9	Very low	162 Å²	162	148.6 Å²	148.6	87%	0.866	72%	0.715	S	S	*	*			trans	-145.3	130.3	170.6	-131.6	25.5	0	0	0	107.8
1052	I	26.7	Very low	28.1	Very low	137 Å²	137	151.8 Å²	151.8	70%	0.703	72%	0.724	S	S	*	*			trans	-101.1	128.6	-178.4	-62.6	166.3	0	0	0	108
1053	H	29.7	Very low	28.2	Very low	148 Å²	148	147.7 Å²	147.7	69%	0.685	72%	0.719	S	S	*	*				-177	165.4	125.3	-103.5	-70.7	0	0	0	112.2
1054	Q	27.3	Very low	28.3	Very low	64 Å²	64	145 Å²	145	30%	0.299	71%	0.711	S	S	.	*			trans	-148	150.1	-157.2	-178.3	-173.7	68.3	0	0	109.8	E286 N287	E286-Q1054 WeakPolarHBondContact OE2-CG 3.49Å; N287-Q1054 PolarHBondContact ND2-OE1 3.4Å; N287-Q1054 PolarHBondContact OD1-NE2 3.33Å; N287-Q1054 PolarHBondContact OD1-OE1 3.2Å
1055	F	28.6	Very low	28.3	Very low	99 Å²	99	146.2 Å²	146.2	43%	0.434	72%	0.715	S	S	.	*			trans	-148.4	144.4	175	-51.4	-83.3	0	0	0	108	V594 Y596 S597	V594-F1055 HydrophobicContact CG1-CD2 3.74Å; V594-F1055 HydrophobicContact CG1-CE2 3.84Å; Y596-F1055 CarbonylContact C-O 3.51Å; Y596-F1055 VanDerWaalsContact CA-O 3.25Å; Y596-F1055 WeakPolarHBondContact CA-O 3.32Å; Y596-F1055 WeakPolarHBondContact CB-O 3.27Å; Y596-F1055 HydrophobicContact CD1-CB 4.05Å; S597-F1055 PolarHBondContact N-O 2.97Å; S597-F1055 PolarHBondContact OG-O 2.8Å; S597-F1055 VanDerWaalsContact OG-O 3.09Å
1056	L	27.3	Very low	28.4	Very low	129 Å²	129	141 Å²	141	68%	0.675	71%	0.71	S	S	*	*			cis	85.2	87.3	27.9	-55.5	173.3	0	0	0	116.3	Y596 S597	Y596-L1056 WeakPolarHBondContact CD1-O 3.13Å; S597-L1056 PolarHBondContact OG-N 3.45Å; S597-L1056 VanDerWaalsContact OG-N 3.15Å
1057	R	29.4	Very low	28.7	Very low	166 Å²	166	136.1 Å²	136.1	63%	0.626	71%	0.705	S	S	*	*			trans	-72.5	171.2	-178.2	-74.4	-171.9	174.7	-177.4	2.4	116.6	Y596	Y596-R1057 HydrophobicContact CD2-CB 4.33Å; Y596-R1057 HydrophobicContact CD2-CG 3.98Å; Y596-R1057 HydrophobicContact CG-CG 4.21Å
1058	S	30.3	Very low	28.7	Very low	66 Å²	66	133.7 Å²	133.7	46%	0.462	70%	0.704	S	S	.	*			cis	-157.6	-129.6	-20.3	-86.8	0	0	0	0	108.5	Y596	Y596-S1058 WeakPolarHBondContact CD2-OG 3Å
1059	S	28.6	Very low	28.9	Very low	89 Å²	89	128.9 Å²	128.9	62%	0.622	68%	0.684	S	S	*	*			cis	-170.5	151.4	-1.8	-126.9	0	0	0	0	113.1
1060	D	26	Very low	29.1	Very low	143 Å²	143	129.7 Å²	129.7	77%	0.765	68%	0.682	S	S	*	*			trans	54.6	158.7	144.1	-45.6	-35.7	0	0	0	123.4
1061	P	52.4	Low	29.3	Very low	107 Å²	107	131.7 Å²	131.7	70%	0.695	68%	0.681	S	S	*	*			cis	-139.2	-166.2	-49.4	41.8	-25.2	0	0	0	115.1
1062	D	26.4	Very low	29.6	Very low	161 Å²	161	133.5 Å²	133.5	86%	0.861	68%	0.681	S	S	*	*			trans	93.5	147.8	153.5	-77.6	-33	0	0	0	125.9
1063	S	28.1	Very low	29.7	Very low	97 Å²	97	136.8 Å²	136.8	68%	0.678	69%	0.69	S	S	*	*			trans	90.2	90.8	157	-149.9	0	0	0	0	123.8
1064	D	27.8	Very low	29.8	Very low	142 Å²	142	140.3 Å²	140.3	76%	0.759	70%	0.703	S	S	*	*				80.7	145.9	116.4	-68.9	-63.3	0	0	0	128.1
1065	R	28.3	Very low	30	Very low	235 Å²	235	146.3 Å²	146.3	89%	0.887	73%	0.728	S	S	*	*			trans	67	121.4	160.6	-75.8	177.5	161.1	122.5	-1.5	118.8
1066	A	27.9	Very low	30	Very low	90 Å²	90	151.7 Å²	151.7	74%	0.744	75%	0.751	S	S	*	*			cis	74.8	144.5	47.6	0	0	0	0	0	113.4
1067	T	30.7	Very low	30	Very low	131 Å²	131	154.5 Å²	154.5	80%	0.804	75%	0.753	S	S	*	*			cis	-146.9	162.9	23.4	47.5	0	0	0	0	110.9
1068	E	25.7	Very low	30	Very low	164 Å²	164	155.1 Å²	155.1	77%	0.766	76%	0.755	S	S	*	*				163.1	168.9	94.5	-94.7	-137.6	94	0	0	109.1
1069	S	29.9	Very low	29.8	Very low	68 Å²	68	158.8 Å²	158.8	48%	0.476	77%	0.765	S	S	.	*			cis	-173	177.5	-35.7	71.9	0	0	0	0	110.5
1070	R	29.5	Very low	29.7	Very low	201 Å²	201	164 Å²	164	76%	0.758	77%	0.771	S	S	*	*			trans	81.1	146.7	168.8	-61	159.8	-179.4	-157.6	-1.2	116.7
1071	K	28.8	Very low	29.6	Very low	167 Å²	167	162.4 Å²	162.4	73%	0.726	76%	0.762	S	S	*	*			cis	-160.7	167.3	1.4	-122.6	165.2	-170	176.3	0	111.8
1072	K	31.8	Very low	28.4	Very low	200 Å²	200	162.2 Å²	162.2	87%	0.87	76%	0.764	S	S	*	*			trans	82.3	151.4	174	-60.6	176.5	-178.2	173.7	0	115.6
1073	K	29.5	Very low	28.4	Very low	205 Å²	205	161.9 Å²	161.9	89%	0.891	76%	0.762	S	S	*	*			cis	-176.7	113.4	-37	-129.9	-177.1	-179.7	-179	0	107.8
1074	K	32	Very low	28.4	Very low	223 Å²	223	161.2 Å²	161.2	97%	0.97	76%	0.757	S	S	*	*			trans	-149.7	158.8	151.5	-131.5	171.3	-175.5	177	0	109.8
1075	K	30	Very low	28.5	Very low	190 Å²	190	162.7 Å²	162.7	83%	0.826	76%	0.76	S	S	*	*			trans	-148.7	114.4	-150.9	173.5	-165.9	175.4	-168.8	0	111.1
1076	K	29.2	Very low	28.6	Very low	211 Å²	211	157.2 Å²	157.2	92%	0.917	76%	0.757	S	S	*	*			trans	-144.1	125.5	150.1	-128.3	179.7	-179.4	-174.9	0	111.2
1077	R	28.2	Very low	28.7	Very low	189 Å²	189	156.2 Å²	156.2	71%	0.713	76%	0.756	S	S	*	*			trans	-86	167.9	163.8	-77.2	-179.4	167	179.9	-4.1	107.2
1078	R	28.4	Very low	28.8	Very low	178 Å²	178	159.7 Å²	159.7	67%	0.672	76%	0.763	S	S	*	*			cis	-171.6	177	-8.9	-111.9	178.1	178.4	-178.6	-5	106.6
1079	H	26	Very low	28.9	Very low	143 Å²	143	155 Å²	155	66%	0.662	76%	0.758	S	S	*	*			trans	91	131.6	164.8	-64.4	-85.6	0	0	0	115.3
1080	R	26.7	Very low	28.9	Very low	198 Å²	198	160.8 Å²	160.8	75%	0.747	78%	0.777	S	S	*	*			cis	112.6	142.3	8.6	-170.3	-149.4	167.4	-174.7	17.6	111.6
1081	D	24.9	Very low	29	Very low	110 Å²	110	155 Å²	155	59%	0.588	77%	0.773	S	S	*	*			trans	87.3	149.1	167.3	-51.8	-52.4	0	0	0	117.3
1082	S	26.9	Very low	29.1	Very low	104 Å²	104	153.5 Å²	153.5	73%	0.727	77%	0.772	S	S	*	*			trans	69.4	135.8	173.4	-59.6	0	0	0	0	119.1
1083	D	25.6	Very low	29.2	Very low	153 Å²	153	154.7 Å²	154.7	82%	0.818	77%	0.772	S	S	*	*			cis	77.3	136.8	37.6	-59.4	-47.6	0	0	0	112.9
1084	S	28.4	Very low	29.2	Very low	83 Å²	83	150.7 Å²	150.7	58%	0.58	77%	0.769	S	S	*	*			cis	-160.8	174.8	-2.7	53.5	0	0	0	0	112
1085	E	29.4	Very low	29.2	Very low	174 Å²	174	144.6 Å²	144.6	81%	0.813	76%	0.755	S	S	*	*			trans	63.4	165.9	147.3	-77.6	161	122	0	0	120
1086	S	31.3	Very low	29.2	Very low	119 Å²	119	143.7 Å²	143.7	83%	0.832	75%	0.751	S	S	*	*			cis	-159.8	173.3	-21.1	52.2	0	0	0	0	107.2
1087	G	29.8	Very low	29.2	Very low	69 Å²	69	138.8 Å²	138.8	71%	0.711	73%	0.731	S	S	*	*			cis	-152.8	-159.7	-6.6	0	0	0	0	0	106.9
1088	Q	32	Very low	29.2	Very low	205 Å²	205	139 Å²	139	96%	0.958	73%	0.732	S	S	*	*			cis	-150	165.2	0.3	-58.4	167.6	-56.1	0	0	106.1
1089	G	27.9	Very low	29.3	Very low	64 Å²	64	136.6 Å²	136.6	66%	0.66	73%	0.728	S	S	*	*			cis	174.6	169	-5.2	0	0	0	0	0	112.1
1090	H	30.3	Very low	29.4	Very low	190 Å²	190	134.4 Å²	134.4	88%	0.88	72%	0.721	S	S	*	*			trans	72	84.2	159.8	-61.6	-80.5	0	0	0	123.8
1091	A	32	Very low	29.7	Very low	80 Å²	80	134.2 Å²	134.2	66%	0.661	72%	0.721	S	S	*	*				67.6	118.5	103.6	0	0	0	0	0	125.5
1092	N	31.3	Very low	29.9	Very low	135 Å²	135	136 Å²	136	72%	0.722	72%	0.723	S	S	*	*				85.8	112.6	121.4	-78.4	-28.9	0	0	0	126.1
1093	R	32.8	Very low	30	Very low	226 Å²	226	140.4 Å²	140.4	85%	0.853	72%	0.724	S	S	*	*				86.9	147.2	118.6	-77.7	-179.7	170.8	-169.8	-3.1	124.2
1094	S	29.7	Very low	30.1	Very low	120 Å²	120	140.6 Å²	140.6	84%	0.839	72%	0.72	S	S	*	*			trans	96.6	136.7	148.5	-153.3	0	0	0	0	117.8
1095	S	32.5	Very low	30.2	Very low	96 Å²	96	145.5 Å²	145.5	67%	0.671	73%	0.733	S	S	*	*			cis	-172.6	173.9	-21.8	-168.5	0	0	0	0	111.4
1096	K	30.3	Very low	30	Very low	170 Å²	170	142.3 Å²	142.3	74%	0.739	73%	0.73	S	S	*	*			trans	70.8	150.7	158	-79.2	166	168.8	-84.5	0	119.5
1097	E	29	Very low	29.8	Very low	108 Å²	108	143.2 Å²	143.2	51%	0.505	73%	0.725	S	S	.	*			cis	-164	152.5	-19.4	-134.6	-175.4	112.2	0	0	112
1098	R	28.1	Very low	29.6	Very low	195 Å²	195	145.3 Å²	145.3	74%	0.736	73%	0.725	S	S	*	*			trans	54.5	163.7	146.4	-84.8	-169.7	159.8	119.3	-10.7	122.9
1099	E	31.8	Very low	29.5	Very low	126 Å²	126	144.8 Å²	144.8	59%	0.589	72%	0.719	S	S	*	*			cis	-161	161.1	-34.5	-138.9	-174.8	125.8	0	0	111.8
1100	N	27.6	Very low	29.6	Very low	97 Å²	97	147.6 Å²	147.6	52%	0.519	72%	0.719	S	S	.	*			trans	63.6	110.6	147.1	-83.3	-23.6	0	0	0	126.2
1101	R	32	Very low	29.8	Very low	195 Å²	195	142 Å²	142	74%	0.736	70%	0.701	S	S	*	*				69	124.1	110.4	-75.1	179.3	177.4	172	-0.5	124.1
1102	K	29.6	Very low	29.6	Very low	146 Å²	146	146.3 Å²	146.3	64%	0.635	70%	0.7	S	S	*	*				84.5	119.7	124.5	-75.9	-179.8	177.3	179.9	0	122.8
1103	R	29.4	Very low	29.5	Very low	198 Å²	198	147 Å²	147	75%	0.747	69%	0.694	S	S	*	*				83	132.2	123.8	-76.3	-178.8	174.8	-169.8	-3.3	122.8
1104	H	28	Very low	29.6	Very low	157 Å²	157	140 Å²	140	73%	0.727	67%	0.674	S	S	*	*			trans	61.9	106	144	-65.7	-61.4	0	0	0	122.9
1105	H	29	Very low	29.8	Very low	186 Å²	186	141.8 Å²	141.8	86%	0.861	67%	0.666	S	S	*	*				65.8	155.4	111	-120.6	29.2	0	0	0	122.6
1106	S	26.1	Very low	29.8	Very low	107 Å²	107	142 Å²	142	75%	0.748	66%	0.66	S	S	*	*			trans	63.7	158.5	-172.9	87.9	0	0	0	0	115.6
1107	D	27.1	Very low	29.7	Very low	138 Å²	138	143 Å²	143	74%	0.738	66%	0.664	S	S	*	*			cis	-143.8	-148.5	5.2	-144.9	-59.6	0	0	0	113.4
1108	T	26.3	Very low	29.9	Very low	113 Å²	113	144.3 Å²	144.3	69%	0.693	67%	0.674	S	S	*	*			trans	-108.6	156.3	-153.8	41.9	0	0	0	0	118.7
1109	K	28.2	Very low	30.7	Very low	193 Å²	193	141 Å²	141	84%	0.839	68%	0.678	S	S	*	*			trans	64.5	111.6	147.8	-76	179.5	175.9	-179.2	0	123.9
1110	D	30.7	Very low	30.6	Very low	123 Å²	123	139 Å²	139	66%	0.658	67%	0.669	S	S	*	*				67.6	130.2	121.4	-125.8	-41.1	0	0	0	125.4	K838	K838-D1110 IonicContact NZ-OD1 3.45Å; K838-D1110 PolarHBondContact NZ-OD1 3.01Å
1111	S	34.1	Very low	30.7	Very low	73 Å²	73	142.4 Å²	142.4	51%	0.51	68%	0.679	S	S	.	*			trans	110.6	148.3	131	79.3	0	0	0	0	123.1
1112	R	29.1	Very low	30.6	Very low	171 Å²	171	141.3 Å²	141.3	65%	0.645	68%	0.675	S	S	*	*			trans	93.8	151.7	171.9	-63.3	-179.3	-77.3	-178.6	-2.6	117	P839	P839-R1112 HydrophobicContact CB-CG 4.44Å
1113	Y	28.8	Very low	30.5	Very low	149 Å²	149	140.7 Å²	140.7	58%	0.584	67%	0.674	S	S	*	*			cis	-152.1	149.7	-3.5	-127.5	-43.4	0	0	0	113.3	Q836 S837 P839	Q836-Y1113 CarbonylContact O-C 3.53Å; S837-Y1113 CarbonylContact O-C 3.41Å; S837-Y1113 VanDerWaalsContact O-CA 3.24Å; S837-Y1113 WeakPolarHBondContact O-CA 3.3Å; S837-Y1113 PolarHBondContact OG-N 2.96Å; P839-Y1113 HydrophobicContact CG-CE1 4.27Å
1114	D	34.9	Very low	30.5	Very low	80 Å²	80	141.2 Å²	141.2	43%	0.428	68%	0.676	S	S	.	*			trans	-87.7	179.6	177.3	-132.6	-33.7	0	0	0	116	Q836 S837	Q836-D1114 WeakPolarHBondContact CA-OD1 3.2Å; S837-D1114 WeakPolarHBondContact CA-OD2 3.08Å; S837-D1114 VanDerWaalsContact N-CB 3.28Å; S837-D1114 PolarHBondContact N-OD1 2.75Å; S837-D1114 PolarHBondContact N-OD2 2.98Å; S837-D1114 WeakPolarHBondContact O-CB 3.02Å; S837-D1114 PolarHBondContact O-N 2.95Å
1115	K	33	Very low	30.6	Very low	157 Å²	157	138.5 Å²	138.5	68%	0.683	67%	0.671	S	S	*	*			trans	128.5	147.3	151.9	-75	-172.3	164.4	-77.9	0	113.2
1116	D	32.6	Very low	30.5	Very low	101 Å²	101	136.2 Å²	136.2	54%	0.54	67%	0.665	S	S	.	*			cis	-166.8	179.9	-16.4	-114.1	-14.4	0	0	0	109.6
1117	F	28.4	Very low	30.5	Very low	189 Å²	189	137.4 Å²	137.4	83%	0.829	67%	0.672	S	S	*	*			trans	117.4	92.6	146	-73.7	-77.4	0	0	0	119.2
1118	L	34.1	Very low	30.4	Very low	136 Å²	136	135.7 Å²	135.7	71%	0.712	67%	0.671	S	S	*	*			trans	-59.7	167	135.7	-67.8	159.9	0	0	0	110.5
1119	P	43.4	Very low	30.4	Very low	127 Å²	127	138.5 Å²	138.5	83%	0.825	68%	0.681	S	S	*	*				-129.3	142.7	102	3.9	17	0	0	0	113.2
1120	E	30.4	Very low	30.2	Very low	83 Å²	83	132.6 Å²	132.6	39%	0.388	68%	0.676	S	S	.	*			cis	-142.2	-94.9	7	-174.5	-162.3	-160	0	0	111.9	R1122	E1120-R1122 VanDerWaalsContact CD-NE 3.28Å; E1120-R1122 IonicContact OE1-CZ 3.2Å; E1120-R1122 IonicContact OE1-NE 2.82Å; E1120-R1122 PolarHBondContact OE1-NE 3.23Å; E1120-R1122 IonicContact OE1-NH2 2.71Å; E1120-R1122 PolarHBondContact OE1-NH2 3.23Å; E1120-R1122 IonicContact OE2-CZ 3.88Å; E1120-R1122 IonicContact OE2-NE 3.04Å; E1120-R1122 PolarHBondContact OE2-NE 3.48Å; E1120-R1122 IonicContact OE2-NH2 3.92Å
1121	K	30.2	Very low	30.1	Very low	169 Å²	169	131.9 Å²	131.9	74%	0.735	68%	0.68	S	S	*	*			cis	-141.9	-143.3	-8	-149.8	129.7	-155.7	76.8	0	112.7
1122	R	28.8	Very low	29.9	Very low	172 Å²	172	138.8 Å²	138.8	65%	0.649	70%	0.695	S	S	*	*			trans	-145.2	150.9	-151.6	-64.8	-171.5	-173.4	-156.6	-4.1	111.7	E1120	E1120-R1122 VanDerWaalsContact CD-NE 3.28Å; E1120-R1122 IonicContact OE1-CZ 3.2Å; E1120-R1122 IonicContact OE1-NE 2.82Å; E1120-R1122 PolarHBondContact OE1-NE 3.23Å; E1120-R1122 IonicContact OE1-NH2 2.71Å; E1120-R1122 PolarHBondContact OE1-NH2 3.23Å; E1120-R1122 IonicContact OE2-CZ 3.88Å; E1120-R1122 IonicContact OE2-NE 3.04Å; E1120-R1122 PolarHBondContact OE2-NE 3.48Å; E1120-R1122 IonicContact OE2-NH2 3.92Å
1123	Q	28.3	Very low	30	Very low	133 Å²	133	136.3 Å²	136.3	62%	0.621	70%	0.695	S	S	*	*			cis	-165.6	146.9	-4.8	-117.7	178.5	-0.1	0	0	111.1
1124	R	29.2	Very low	30.2	Very low	208 Å²	208	137.4 Å²	137.4	79%	0.785	71%	0.705	S	S	*	*			trans	63.6	164.5	147.2	-68.1	-175.5	172.1	-165.2	-3.5	118
1125	T	29.3	Very low	30.7	Very low	101 Å²	101	138 Å²	138	62%	0.62	71%	0.713	S	S	*	*			cis	-162.5	153.5	-21.7	24.2	0	0	0	0	109.6
1126	D	26.9	Very low	30.6	Very low	137 Å²	137	138 Å²	138	73%	0.733	72%	0.72	S	S	*	*			trans	53.8	152.6	141.3	-52.2	-26.5	0	0	0	124.3
1127	C	26.1	Very low	31.1	Very low	133 Å²	133	138.5 Å²	138.5	90%	0.899	73%	0.729	S	S	*	*			trans	74.5	175.8	147.1	-79.7	0	0	0	0	121.3
1128	S	25.8	Very low	32.3	Very low	102 Å²	102	133.7 Å²	133.7	71%	0.713	72%	0.717	S	S	*	*			trans	-106.1	176.8	-166.8	51.9	0	0	0	0	113.2
1129	D	26.1	Very low	32.1	Very low	171 Å²	171	136.6 Å²	136.6	91%	0.914	73%	0.726	S	S	*	*			trans	71.2	158	174.9	-88.7	-45.9	0	0	0	117.9
1130	G	24.8	Very low	31.6	Very low	70 Å²	70	138.7 Å²	138.7	72%	0.722	73%	0.725	S	S	*	*			trans	112.1	75	153.2	0	0	0	0	0	120.1
1131	S	28.6	Very low	31.5	Very low	108 Å²	108	139.8 Å²	139.8	76%	0.755	74%	0.741	S	S	*	*				46.8	114.2	128.8	-176.3	0	0	0	0	123
1132	R	30.1	Very low	31.4	Very low	218 Å²	218	136.5 Å²	136.5	82%	0.823	75%	0.746	S	S	*	*			trans	78.3	142.9	134.4	-86.3	-178	169	167.3	-1.3	124.4
1133	D	30.5	Very low	31.4	Very low	118 Å²	118	136.3 Å²	136.3	63%	0.631	76%	0.757	S	S	*	*			trans	73.9	92.4	142.4	-58.5	-23.2	0	0	0	123.4
1134	Q	31.8	Very low	31.5	Very low	172 Å²	172	135.1 Å²	135.1	80%	0.804	76%	0.763	S	S	*	*				75.2	159.5	123.1	-78.2	-164.7	52.8	0	0	121.6
1135	P	45.6	Very low	31.6	Very low	92 Å²	92	132 Å²	132	60%	0.597	76%	0.762	S	S	*	*			cis	-141.1	-177	-23.8	35.5	-15	0	0	0	116.4
1136	L	31.3	Very low	31.5	Very low	157 Å²	157	136.2 Å²	136.2	82%	0.822	78%	0.775	S	S	*	*			trans	81.4	161.4	161.4	-53.8	-171.2	0	0	0	117.3
1137	P	44.5	Very low	31.7	Very low	112 Å²	112	134.6 Å²	134.6	73%	0.727	77%	0.774	S	S	*	*				-142.9	-146.1	-98.7	35.4	-7.8	0	0	0	113.4
1138	P	52	Low	31.9	Very low	89 Å²	89	131.8 Å²	131.8	58%	0.578	76%	0.76	S	S	*	*				-122.1	174.4	-71.6	34.3	-19.1	0	0	0	113.3
1139	H	30.1	Very low	32.2	Very low	196 Å²	196	134.4 Å²	134.4	91%	0.907	76%	0.761	S	S	*	*			trans	-149.9	158.4	138.2	-110.1	-77.8	0	0	0	111.1
1140	H	32.7	Very low	32.3	Very low	171 Å²	171	133.4 Å²	133.4	79%	0.792	75%	0.751	S	S	*	*			trans	-98.5	160.9	-148.8	-91.9	-95.8	0	0	0	118
1141	S	28	Very low	32.5	Very low	106 Å²	106	137.7 Å²	137.7	74%	0.741	75%	0.751	S	S	*	*			trans	-142.4	173.9	161.5	66.8	0	0	0	0	111.1
1142	A	29.5	Very low	32.5	Very low	100 Å²	100	139.2 Å²	139.2	83%	0.826	75%	0.75	S	S	*	*			trans	76	155.7	157.7	0	0	0	0	0	121.2
1143	L	27.9	Very low	32.4	Very low	168 Å²	168	136.2 Å²	136.2	88%	0.88	75%	0.751	S	S	*	*			trans	-94.6	151.4	165.3	-70.6	137.9	0	0	0	109.3
1144	S	29.9	Very low	32.3	Very low	108 Å²	108	133.9 Å²	133.9	76%	0.755	76%	0.755	S	S	*	*				166.4	149.8	115.7	50	0	0	0	0	114.8
1145	N	32	Very low	32.3	Very low	144 Å²	144	134.3 Å²	134.3	77%	0.77	76%	0.756	S	S	*	*			trans	6.9	142.9	151	-48.7	-16.5	0	0	0	120.5
1146	H	28.1	Very low	31.5	Very low	189 Å²	189	136.6 Å²	136.6	88%	0.875	77%	0.769	S	S	*	*				-159.6	160.5	115.1	-120.1	-83.9	0	0	0	114
1147	S	29.8	Very low	31.5	Very low	102 Å²	102	132.1 Å²	132.1	71%	0.713	76%	0.761	S	S	*	*			trans	-103.2	172.9	165.7	61.2	0	0	0	0	109.3
1148	A	31.3	Very low	31	Very low	75 Å²	75	133.5 Å²	133.5	62%	0.62	77%	0.767	S	S	*	*			cis	-166.3	-176.8	23.2	0	0	0	0	0	113.6
1149	H	30.9	Very low	30.1	Very low	157 Å²	157	133.3 Å²	133.3	73%	0.727	77%	0.773	S	S	*	*			trans	74.5	110.9	152.8	-77.2	-77.7	0	0	0	123
1150	Q	29.7	Very low	30.3	Very low	150 Å²	150	130.2 Å²	130.2	70%	0.701	77%	0.768	S	S	*	*				90.4	118.9	122	-80.9	179	-17.9	0	0	124.6
1151	H	28.6	Very low	30.5	Very low	159 Å²	159	128.4 Å²	128.4	74%	0.736	77%	0.769	S	S	*	*			trans	85.6	139.5	132.3	-86.9	-64.7	0	0	0	123.3
1152	L	27.8	Very low	31.3	Very low	140 Å²	140	133.1 Å²	133.1	73%	0.733	79%	0.793	S	S	*	*			trans	82.7	114.7	157.9	-68.1	160.6	0	0	0	119.7
1153	N	29.2	Very low	31.4	Very low	155 Å²	155	134.8 Å²	134.8	83%	0.829	79%	0.792	S	S	*	*			trans	49.2	135.4	136.2	-58.6	-3.9	0	0	0	121.8
1154	G	27.9	Very low	31.6	Very low	70 Å²	70	133 Å²	133	72%	0.722	79%	0.787	S	S	*	*			trans	124.8	88.7	132.8	0	0	0	0	0	118.3
1155	H	30.6	Very low	31.7	Very low	180 Å²	180	134.4 Å²	134.4	83%	0.833	79%	0.789	S	S	*	*			trans	46.9	141.1	132.5	-89.1	32.6	0	0	0	123.4
1156	T	30.4	Very low	31.7	Very low	141 Å²	141	133.8 Å²	133.8	87%	0.865	79%	0.79	S	S	*	*			trans	72.6	149.3	148.1	54	0	0	0	0	121.3
1157	G	30.8	Very low	31.9	Very low	63 Å²	63	130.4 Å²	130.4	65%	0.649	79%	0.785	S	S	*	*			trans	96.2	91.6	170.6	0	0	0	0	0	114.6
1158	T	33.2	Very low	32	Very low	140 Å²	140	132.3 Å²	132.3	86%	0.859	79%	0.79	S	S	*	*				75.7	138.5	63.9	67.6	0	0	0	0	116.5
1159	A	33.5	Very low	32.1	Very low	85 Å²	85	136.4 Å²	136.4	70%	0.702	80%	0.802	S	S	*	*			trans	71.4	120.5	-180	0	0	0	0	0	115.6
1160	T	35.1	Very low	32.2	Very low	131 Å²	131	134.8 Å²	134.8	80%	0.804	81%	0.807	S	S	*	*			cis	94.1	153.2	30.8	68.1	0	0	0	0	115.2
1161	V	37.1	Very low	32.4	Very low	133 Å²	133	133.5 Å²	133.5	81%	0.806	82%	0.816	S	S	*	*			trans	80.3	112	-170.3	-172.9	0	0	0	0	111.7
1162	T	44.2	Very low	32.7	Very low	205 Å²	205	131.2 Å²	131.2	100%	1.258	82%	0.824	S	S	*	*			cis	-143.2	0	1.5	-5.1	0	0	0	0	110.7

Retrieved 1,162 of 1,162 residues in 1215.1 ms (Link to these results)

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