A0A087XJM2_POEFO Loading...

R3H domain containing 2

AlphaFold DB , UniProt , Accession A0A087XJM2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,063 aa.

						>A0A087XJM2_POEFO|A0A087XJM2
HCKKFNIDLVPPTATTGFSTKRAKSNAKMKLVRSLAVCEESSGPFPNDGPPESVPEIIQLHISCPSDKEEEKSSKDEYENEEKEKKDKTPRKMLSRVDSSQEYTDSTGIDVHEFLVNTLKNNPRDRMMLLKLEQDILEFINDNNNQYKKFPQMTSYHRMLLHRVAAYFGMDHNVDQTGKAVIINKTGNTRIPEQRFSEHIKDERNMDFQKKFILKRDDASMDKDDNQIRVPLQDGRRSKSIEEREEEYQRVRDRIFAREVKSSQNGYINDNRLSTEGYCSSSQKRRQIFRGNRESSSRASSSRQSSTDSDMKCLEPRPWSSTDSDSSNRTLRPPVTKASSFSGISILTRGDSLGSNKGSQGSCKGSRSVAPQMPGEAYDSFSHRNLYPINTTGATHHNSHSLVLVISSPENIVLLWKIKYCKCGVFVSSSFPGLPLVSPDVCPPPSVSQSSRSLLPCPPQPPQQPQPQAPPQTALLPTPQQHPMGNHMIAQGDELAPQFTQMTLSRQGSSENPEPPPMYQPPPTVLSQHPPPQPGYIMATTGQPLPPPSGYQPNTGHPHPPPPPPPPSQTVIQAPPPPQGYIQPPPPQQIQVSYYPPGQYASSGQQYRVSQPISHQVSYQAQRTQPMPPPNQQSGQYITMMPSQQPSYQNMMGVQQPPNPGLLNSQRTSIGGQMQSIMVQYPQMPSYQVPVANENQQVVQQQYQQQVMVPVSQSVQGPMPVYYSVITPTQQNSTSPSVGYLQPPSSEQFQITQSPSPCNPQPLQQQYSAPAGVAPPGPGVMVMQLSVPNGPQPSQNPPLVQWNPCKYYSIEQRPSKPGELYKPDNTPQASTQLTSPLASPTQSPTPSPSGSVNSVCPGLGPLPLISQFQRPGGPAQGDGRYSLLGQPLQYSLCPPPLMHGQSSYNSHQGQGVIKHGARGKKQTLKSASTDLGTTDVVVSRVLEVTDLPEGISRPEAEKLFNQLSMCGAKIQWLKEPQGGRGVAGGCGPCVGASAMSGVGMGAGGGKGDGHDPAHLYTVVAVFPTTMAAQSASFKLNNSGASLFKLRAAKKNYDLRVLERASSQ
					

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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	H	37.5	Very low	34.6	Very low	261 Å²	261	155.4 Å²	155.4	100%	1.208	80%	0.796	S	S	*	*				0	154.4	0	-124.5	85.3	0	0	0	108.7
2	C	28.9	Very low	36	Very low	114 Å²	114	152.2 Å²	152.2	77%	0.77	79%	0.793	S	S	*	*			trans	-105.4	-179.3	-163.2	-156.2	0	0	0	0	113.8
3	K	35.5	Very low	35.5	Very low	183 Å²	183	149.8 Å²	149.8	80%	0.796	79%	0.79	S	S	*	*			trans	81.6	120.9	174	-52.8	174.9	-178.7	179.3	0	114.6
4	K	38.3	Very low	35.1	Very low	177 Å²	177	145.4 Å²	145.4	77%	0.77	79%	0.785	S	S	*	*			cis	77	102.2	12	-157.7	-173.6	-176	-177.8	0	117.2
5	F	36.2	Very low	34.5	Very low	189 Å²	189	143.9 Å²	143.9	83%	0.829	78%	0.783	S	S	*	*			trans	-165	123.3	150.1	-85.9	-80.2	0	0	0	103.8
6	N	28.6	Very low	34.2	Very low	126 Å²	126	143.1 Å²	143.1	67%	0.674	78%	0.784	S	S	*	*			cis	72.5	146.4	13.9	-149.4	41.8	0	0	0	116.8
7	I	30.8	Very low	33.8	Very low	130 Å²	130	138.5 Å²	138.5	67%	0.667	78%	0.778	S	S	*	*			trans	88.7	127	177.1	-58.1	172	0	0	0	113.3
8	D	28.8	Very low	33.6	Very low	123 Å²	123	141.6 Å²	141.6	66%	0.658	78%	0.782	S	S	*	*			cis	-172.3	-179.5	-15.2	-126.6	-56.8	0	0	0	113.7
9	L	28.2	Very low	33.3	Very low	151 Å²	151	139.4 Å²	139.4	79%	0.791	78%	0.777	S	S	*	*			trans	66.2	120.1	147.6	-74.7	156.3	0	0	0	122.1
10	V	31.2	Very low	33.1	Very low	140 Å²	140	137.5 Å²	137.5	85%	0.848	77%	0.769	S	S	*	*			trans	-139.1	134	161	-179.9	0	0	0	0	109.4
11	P	56.8	Low	33.1	Very low	115 Å²	115	139.7 Å²	139.7	75%	0.747	77%	0.771	S	S	*	*			trans	-112.1	-149.2	-172	49.9	-40.8	0	0	0	111.5
12	P	51.4	Low	32.7	Very low	117 Å²	117	139.3 Å²	139.3	76%	0.76	76%	0.759	S	S	*	*			trans	-123	-176.8	-142.8	33.5	-7.5	0	0	0	114
13	T	28.7	Very low	32.7	Very low	122 Å²	122	138.8 Å²	138.8	75%	0.748	76%	0.763	S	S	*	*			cis	-148.2	141.4	27.4	46.8	0	0	0	0	110
14	A	30.1	Very low	32.5	Very low	87 Å²	87	138.3 Å²	138.3	72%	0.719	76%	0.761	S	S	*	*				56.4	134.4	71.5	0	0	0	0	0	113.6
15	T	26.8	Very low	32.1	Very low	124 Å²	124	135 Å²	135	76%	0.761	76%	0.76	S	S	*	*			cis	-155.4	145.9	36.3	43.5	0	0	0	0	111.3
16	T	29.1	Very low	31.8	Very low	130 Å²	130	131.6 Å²	131.6	80%	0.798	75%	0.75	S	S	*	*			cis	86.7	127.8	45.6	51.4	0	0	0	0	119.4
17	G	27.9	Very low	31.9	Very low	66 Å²	66	130.1 Å²	130.1	68%	0.68	76%	0.756	S	S	*	*			trans	153.3	104.2	161.4	0	0	0	0	0	112.9
18	F	29.6	Very low	32.1	Very low	193 Å²	193	130.1 Å²	130.1	85%	0.846	75%	0.751	S	S	*	*				57.6	145.5	61.9	-69	-70.8	0	0	0	113.6
19	S	27.8	Very low	32.3	Very low	100 Å²	100	130 Å²	130	70%	0.699	75%	0.748	S	S	*	*			cis	-174.6	171.7	6	-123.2	0	0	0	0	108.3
20	T	29.7	Very low	32.7	Very low	101 Å²	101	129.6 Å²	129.6	62%	0.62	74%	0.74	S	S	*	*			cis	-168.6	136	-13.1	-119.4	0	0	0	0	112.3
21	K	32.4	Very low	32.5	Very low	185 Å²	185	130 Å²	130	80%	0.804	74%	0.736	S	S	*	*			trans	57.2	121.9	151.4	-60	169	-161.2	163.4	0	124.1
22	R	29.4	Very low	31.2	Very low	252 Å²	252	130.1 Å²	130.1	95%	0.951	74%	0.735	S	S	*	*				66.3	92.2	117.2	-148	-179.8	-148.7	178.3	6.5	119.6
23	A	29.2	Very low	30.2	Very low	104 Å²	104	136 Å²	136	86%	0.86	74%	0.742	S	S	*	*			trans	-132.5	157.4	155.3	0	0	0	0	0	110.3
24	K	31.4	Very low	30.3	Very low	173 Å²	173	135.5 Å²	135.5	75%	0.752	74%	0.743	S	S	*	*			trans	-160.4	140.7	174.7	-147.8	-87.5	167.1	-159	0	110.8	N26	K24-N26 PolarHBondContact NZ-OD1 2.85Å
25	S	29.6	Very low	30.2	Very low	106 Å²	106	139.5 Å²	139.5	74%	0.741	75%	0.752	S	S	*	*			trans	-133.5	169.1	176	61.1	0	0	0	0	112.4
26	N	30.6	Very low	30.4	Very low	119 Å²	119	137.8 Å²	137.8	64%	0.636	75%	0.75	S	S	*	*			trans	-155.8	129.5	174.6	-135.4	99.6	0	0	0	111.3	K24	K24-N26 PolarHBondContact NZ-OD1 2.85Å
27	A	29.6	Very low	30.2	Very low	95 Å²	95	137.5 Å²	137.5	79%	0.785	75%	0.748	S	S	*	*			trans	-166.3	-156.2	176.9	0	0	0	0	0	110.1
28	K	36.2	Very low	30.3	Very low	129 Å²	129	140.5 Å²	140.5	56%	0.561	76%	0.757	S	S	*	*			trans	-134.5	50.9	-152.2	-148.3	-172.1	-170.7	-147.3	0	116.2	S851 V852	K28-S851 WeakPolarHBondContact O-CB 3.49Å; K28-V852 VanDerWaalsContact CD-O 3.28Å; K28-V852 WeakPolarHBondContact CD-O 3.34Å; K28-V852 WeakPolarHBondContact CE-O 3.47Å; K28-V852 PolarHBondContact NZ-O 3.45Å; K28-V852 WeakPolarHBondContact O-CA 3.35Å
29	M	33	Very low	30.2	Very low	121 Å²	121	139.7 Å²	139.7	60%	0.596	76%	0.756	S	S	*	*			trans	-134.3	125.9	170.5	-64.9	-62.8	-173.7	0	0	113.3	S851 V852	M29-S851 WeakPolarHBondContact CA-OG 3.21Å; M29-S851 VanDerWaalsContact N-CB 3.27Å; M29-S851 PolarHBondContact N-OG 3.1Å; M29-S851 PolarHBondContact O-OG 2.77Å; M29-V852 HydrophobicContact SD-CG1 4.46Å
30	K	36.9	Very low	30.2	Very low	142 Å²	142	143.7 Å²	143.7	62%	0.617	76%	0.764	S	S	*	*			trans	-166.5	153.4	173	-154.9	-105.7	167.5	-162.7	0	111.6	G850 S851	K30-G850 VanDerWaalsContact CB-O 3.29Å; K30-G850 WeakPolarHBondContact CB-O 3.17Å; K30-S851 PolarHBondContact N-OG 3.18Å
31	L	25.8	Very low	30.1	Very low	149 Å²	149	144.3 Å²	144.3	78%	0.78	77%	0.772	S	S	*	*			trans	-116	162.6	-176	-172.1	57	0	0	0	114.1
32	V	29.3	Very low	29.9	Very low	118 Å²	118	140.9 Å²	140.9	72%	0.715	77%	0.771	S	S	*	*			trans	-141	154.5	-165.4	-176.7	0	0	0	0	111.8
33	R	32	Very low	29.9	Very low	240 Å²	240	132 Å²	132	91%	0.906	76%	0.758	S	S	*	*			trans	65.7	97.3	178.2	-94.6	-162.9	179.2	109.5	-2.1	117.7
34	S	30.5	Very low	30.3	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	76%	0.759	S	S	*	*			trans	178.8	113	139.9	49.1	0	0	0	0	106.8
35	L	28.1	Very low	30	Very low	170 Å²	170	134.5 Å²	134.5	89%	0.89	76%	0.764	S	S	*	*				74.3	124.3	86.5	-102.6	172.1	0	0	0	113.9
36	A	29.6	Very low	30.7	Very low	89 Å²	89	134.4 Å²	134.4	74%	0.736	76%	0.761	S	S	*	*			trans	50.1	135	159.9	0	0	0	0	0	120.2
37	V	26.6	Very low	30.6	Very low	123 Å²	123	135.3 Å²	135.3	75%	0.745	77%	0.766	S	S	*	*				-178.3	134.6	119.3	147.5	0	0	0	0	108.1	E39	V37-E39 HydrophobicContact CG1-CG 4.18Å
38	C	30	Very low	30.4	Very low	129 Å²	129	137.5 Å²	137.5	87%	0.872	76%	0.764	S	S	*	*			trans	-98.2	134.7	162.8	-58.6	0	0	0	0	108
39	E	27.2	Very low	30.2	Very low	176 Å²	176	134.1 Å²	134.1	82%	0.822	77%	0.766	S	S	*	*			trans	-138.2	119.7	152.4	-70.7	-175.5	104.4	0	0	104.6	V37	V37-E39 HydrophobicContact CG1-CG 4.18Å
40	E	27.5	Very low	30.7	Very low	185 Å²	185	134.2 Å²	134.2	86%	0.864	78%	0.776	S	S	*	*				82.4	149.9	50.8	-168.9	156.1	79.4	0	0	113.3
41	S	27.3	Very low	30.9	Very low	113 Å²	113	132.4 Å²	132.4	79%	0.79	78%	0.778	S	S	*	*			trans	78.4	131.4	-173.3	-70.5	0	0	0	0	116
42	S	27.8	Very low	30.8	Very low	113 Å²	113	133.5 Å²	133.5	79%	0.79	78%	0.779	S	S	*	*			cis	-155.9	149.7	4.5	47.8	0	0	0	0	112.2
43	G	29.1	Very low	30.8	Very low	66 Å²	66	133.3 Å²	133.3	68%	0.68	78%	0.783	S	S	*	*			trans	-70.8	-170.5	175.9	0	0	0	0	0	114.7
44	P	37.8	Very low	30.8	Very low	135 Å²	135	128 Å²	128	88%	0.877	78%	0.777	S	S	*	*				-136.7	160.4	68.8	37	-22.1	0	0	0	117.3
45	F	26.6	Very low	31.2	Very low	195 Å²	195	127.9 Å²	127.9	86%	0.855	77%	0.774	S	S	*	*			trans	-80.5	178.4	166.7	-84.3	-73.4	0	0	0	110.8
46	P	43.1	Very low	31.1	Very low	103 Å²	103	128.1 Å²	128.1	67%	0.669	77%	0.77	S	S	*	*			cis	-149.3	171.9	26.7	43.6	-22.7	0	0	0	120.9
47	N	28.7	Very low	31.2	Very low	139 Å²	139	130 Å²	130	74%	0.743	77%	0.767	S	S	*	*			trans	67.3	148.5	143.6	-76.6	28.5	0	0	0	120.4
48	D	26.4	Very low	31.3	Very low	140 Å²	140	131 Å²	131	75%	0.749	77%	0.766	S	S	*	*			cis	-161.1	164.2	-5.9	-149.4	-87.6	0	0	0	110.7
49	G	30.8	Very low	31.2	Very low	58 Å²	58	133.3 Å²	133.3	60%	0.598	76%	0.764	S	S	*	*			trans	64.1	125.1	145.4	0	0	0	0	0	124.6
50	P	44.7	Very low	31.3	Very low	124 Å²	124	131.8 Å²	131.8	81%	0.805	76%	0.761	S	S	*	*			trans	-96.4	-165.3	162.8	43	-36.3	0	0	0	111.5
51	P	39.3	Very low	31.2	Very low	104 Å²	104	131.9 Å²	131.9	68%	0.675	76%	0.761	S	S	*	*			cis	-143.5	-171	5.3	44.9	-23.7	0	0	0	118
52	E	24.1	Very low	31.2	Very low	172 Å²	172	133.4 Å²	133.4	80%	0.804	76%	0.759	S	S	*	*			trans	56.8	116.7	147.5	-77.8	177	112.3	0	0	125.7
53	S	30	Very low	31	Very low	113 Å²	113	133.1 Å²	133.1	79%	0.79	76%	0.757	S	S	*	*			trans	157.8	112.8	133.7	46.4	0	0	0	0	109.2
54	V	32.1	Very low	30.9	Very low	130 Å²	130	135.9 Å²	135.9	79%	0.788	77%	0.765	S	S	*	*			cis	68	125.3	48.8	-171.7	0	0	0	0	112
55	P	37.6	Very low	30.4	Very low	108 Å²	108	135.9 Å²	135.9	70%	0.701	76%	0.764	S	S	*	*			cis	-138.3	-158.6	-25.2	40	-19.8	0	0	0	113.5
56	E	26.2	Very low	30.3	Very low	176 Å²	176	131.4 Å²	131.4	82%	0.822	76%	0.757	S	S	*	*			trans	116.5	144.9	141.8	-143.7	157.1	173.3	0	0	118.5
57	I	33	Very low	29.7	Very low	129 Å²	129	132.9 Å²	132.9	66%	0.662	76%	0.759	S	S	*	*			trans	-122.7	-179.5	-156.9	-58.8	168.9	0	0	0	108.4	V738	I57-V738 HydrophobicContact CD1-CG2 4.33Å
58	I	28.9	Very low	29.7	Very low	143 Å²	143	134.4 Å²	134.4	73%	0.733	76%	0.759	S	S	*	*			trans	92.1	119.8	162.8	-48.6	165.1	0	0	0	110.8
59	Q	26.4	Very low	29.8	Very low	177 Å²	177	134.5 Å²	134.5	83%	0.827	76%	0.756	S	S	*	*				-153.9	150.1	59.3	-155.9	158	21	0	0	115.3
60	L	29.3	Very low	29.5	Very low	144 Å²	144	139.7 Å²	139.7	75%	0.754	76%	0.764	S	S	*	*			trans	-62.1	159.2	168.1	-66.2	151.3	0	0	0	111.4
61	H	25.7	Very low	28.6	Very low	187 Å²	187	140 Å²	140	87%	0.866	76%	0.755	S	S	*	*				-153.7	120.8	126.5	-120.7	-137.7	0	0	0	112.4
62	I	28	Very low	27.9	Very low	145 Å²	145	142.4 Å²	142.4	74%	0.744	76%	0.755	S	S	*	*			trans	-80.9	138.1	163.4	-68.2	162.8	0	0	0	107.1
63	S	22.1	Very low	28	Very low	108 Å²	108	139.3 Å²	139.3	76%	0.755	75%	0.752	S	S	*	*			trans	-177.7	127.5	139.1	-81.2	0	0	0	0	111.2
64	C	28.4	Very low	27.9	Very low	124 Å²	124	139 Å²	139	84%	0.838	75%	0.75	S	S	*	*			trans	-88.3	160.6	150	-62.3	0	0	0	0	108.7
65	P	27.4	Very low	27.6	Very low	134 Å²	134	141 Å²	141	87%	0.87	75%	0.748	S	S	*	*			trans	-124.7	177.8	138.2	35.3	-26	0	0	0	112.4
66	S	23.8	Very low	27	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	75%	0.747	S	S	*	*			trans	-108.5	165.7	-158.7	-139.8	0	0	0	0	115.3
67	D	29.9	Very low	26.9	Very low	133 Å²	133	141.4 Å²	141.4	71%	0.711	74%	0.744	S	S	*	*			trans	54.9	120.7	148.3	-78.2	-80.8	0	0	0	122.4
68	K	28.9	Very low	26.8	Very low	171 Å²	171	145.2 Å²	145.2	74%	0.743	75%	0.752	S	S	*	*				-177.4	131.4	94.1	-98.6	-178.4	172.2	-87.9	0	115.2
69	E	28.1	Very low	26.8	Very low	143 Å²	143	147.4 Å²	147.4	67%	0.668	76%	0.759	S	S	*	*			trans	35.9	117.8	132.9	-61.8	174.7	125.8	0	0	123.2
70	E	26.1	Very low	26.8	Very low	166 Å²	166	146.2 Å²	146.2	78%	0.776	76%	0.758	S	S	*	*				71.7	132.1	124.2	-123	-172.4	125	0	0	126.2
71	E	25.2	Very low	26.8	Very low	130 Å²	130	147.2 Å²	147.2	61%	0.607	76%	0.759	S	S	*	*			trans	77.8	142.2	140.6	-105.8	-148.5	150.7	0	0	126.6
72	K	25	Very low	27.1	Very low	156 Å²	156	146.4 Å²	146.4	68%	0.678	76%	0.756	S	S	*	*			trans	60.6	107.6	152.6	-82.2	179.1	177.5	86.1	0	122.1
73	S	26.7	Very low	27.4	Very low	106 Å²	106	149.5 Å²	149.5	74%	0.741	76%	0.764	S	S	*	*				53.5	142.2	101.2	-168	0	0	0	0	121.4
74	S	27.3	Very low	27.9	Very low	106 Å²	106	151.6 Å²	151.6	74%	0.741	76%	0.762	S	S	*	*			trans	91.6	105.4	167.2	-32.9	0	0	0	0	112.7
75	K	25.8	Very low	28.2	Very low	174 Å²	174	154.1 Å²	154.1	76%	0.757	76%	0.758	S	S	*	*				72.6	104.3	69.9	-171.5	-161.7	177.6	-89.9	0	111.2
76	D	24.7	Very low	28.6	Very low	126 Å²	126	156.8 Å²	156.8	67%	0.674	76%	0.756	S	S	*	*				-175.8	166.7	117.5	-89.6	-38.4	0	0	0	110.8
77	E	25.4	Very low	28.9	Very low	165 Å²	165	159.1 Å²	159.1	77%	0.771	76%	0.761	S	S	*	*			trans	-67.8	172.5	178	-65.8	155.8	102.3	0	0	110.7
78	Y	29.8	Very low	29.5	Very low	209 Å²	209	161.7 Å²	161.7	82%	0.82	77%	0.766	S	S	*	*			cis	-168	157.2	41.3	28.9	-98.8	0	0	0	112.9
79	E	29.1	Very low	29.5	Very low	190 Å²	190	158.2 Å²	158.2	89%	0.888	76%	0.759	S	S	*	*			trans	18.2	130.4	156.5	-58.7	-178.3	114.4	0	0	123
80	N	26.1	Very low	30.1	Very low	152 Å²	152	157.6 Å²	157.6	81%	0.813	77%	0.767	S	S	*	*				-161.7	168.5	113.4	-155.3	2.2	0	0	0	112.1
81	E	30.5	Very low	30.4	Very low	165 Å²	165	159.8 Å²	159.8	77%	0.771	77%	0.769	S	S	*	*			trans	-89.6	158.1	-155	-61.7	174.5	101.4	0	0	118
82	E	31.5	Very low	30.7	Very low	169 Å²	169	162.6 Å²	162.6	79%	0.79	78%	0.779	S	S	*	*			trans	50.7	110.1	139.5	-163	176.5	-166	0	0	121
83	K	33.7	Very low	31.2	Very low	210 Å²	210	163.6 Å²	163.6	91%	0.913	79%	0.788	S	S	*	*				-155.9	125.3	126.8	-115.8	156.3	-168.6	162.2	0	115.8
84	E	32.3	Very low	31.6	Very low	152 Å²	152	166.7 Å²	166.7	71%	0.71	80%	0.795	S	S	*	*			trans	-61.8	130.7	170.6	-175.3	-150.2	132.7	0	0	112.9
85	K	35.7	Very low	31.9	Very low	177 Å²	177	165.5 Å²	165.5	77%	0.77	79%	0.787	S	S	*	*				175.5	111.9	126.1	-95.9	159.2	-173.7	171.4	0	115
86	K	34.4	Very low	32.6	Very low	190 Å²	190	167.2 Å²	167.2	83%	0.826	79%	0.789	S	S	*	*				23.8	113.2	123.6	-179.1	-171.2	176.7	-174.1	0	117.4
87	D	31	Very low	33.1	Very low	151 Å²	151	167.8 Å²	167.8	81%	0.807	80%	0.796	S	S	*	*				-149.2	152.8	122.9	-138	-58	0	0	0	113.2
88	K	41.4	Very low	33.6	Very low	187 Å²	187	164.2 Å²	164.2	81%	0.813	78%	0.782	S	S	*	*			trans	-110.6	118.2	179	-70.4	177.3	175.9	179.3	0	109
89	T	30	Very low	34.3	Very low	99 Å²	99	158.2 Å²	158.2	61%	0.607	77%	0.771	S	S	*	*			trans	-128.6	122.8	153.1	57.7	0	0	0	0	111.7	R91	T89-R91 PolarHBondContact O-N 3.16Å; T89-R91 VanDerWaalsContact O-N 3.1Å
90	P	39.6	Very low	35.2	Very low	129 Å²	129	152.8 Å²	152.8	84%	0.838	75%	0.754	S	S	*	*			trans	-80.6	91.3	178.7	32.2	-32.6	0	0	0	109.5	K92	P90-K92 PolarHBondContact O-N 3.32Å
91	R	33.8	Very low	36.5	Very low	213 Å²	213	152.7 Å²	152.7	80%	0.804	75%	0.749	S	S	*	*			trans	-92.4	90.3	177.5	-65.1	-164.1	-174.1	-150.6	1.3	111.6	T89	T89-R91 PolarHBondContact O-N 3.16Å; T89-R91 VanDerWaalsContact O-N 3.1Å
92	K	32.1	Very low	38.2	Very low	188 Å²	188	150.3 Å²	150.3	82%	0.817	74%	0.738	S	S	*	*			trans	49.8	99.6	145	-60.1	179.8	-179.7	-178.7	0	115.8	P90 L94	P90-K92 PolarHBondContact O-N 3.32Å; K92-L94 VanDerWaalsContact C-N 3.31Å; K92-L94 PolarHBondContact O-N 2.65Å
93	M	35.3	Very low	40.2	Very low	178 Å²	178	144.6 Å²	144.6	88%	0.877	71%	0.709	S	S	*	*			trans	-52.8	94	152.8	-70.9	-93.9	-73.9	0	0	110	S95	M93-S95 PolarHBondContact O-N 3.04Å; M93-S95 VanDerWaalsContact O-N 3.15Å
94	L	34.5	Very low	42.3	Very low	171 Å²	171	137.5 Å²	137.5	90%	0.895	68%	0.684	S	S	*	*			trans	-78.1	82.9	148.5	-72.8	179.9	0	0	0	106.5	K92	K92-L94 VanDerWaalsContact C-N 3.31Å; K92-L94 PolarHBondContact O-N 2.65Å
95	S	34.1	Very low	44.6	Very low	80 Å²	80	131.3 Å²	131.3	56%	0.559	66%	0.655	S	S	*	*			trans	-56	135.8	170.4	51.2	0	0	0	0	110.6	M93 V97	M93-S95 PolarHBondContact O-N 3.04Å; M93-S95 VanDerWaalsContact O-N 3.15Å; S95-V97 PolarHBondContact O-N 2.77Å
96	R	40.5	Very low	46.5	Very low	211 Å²	211	129 Å²	129	80%	0.796	66%	0.661	S	S	*	*			trans	39.8	74.6	144.8	-73.7	179.4	160.2	146.6	-2.5	115	D98	R96-D98 HydrophobicContact CB-CB 4.06Å; R96-D98 WeakPolarHBondContact CB-OD2 3.03Å; R96-D98 WeakPolarHBondContact CD-OD2 3.28Å; R96-D98 WeakPolarHBondContact CG-OD2 3.24Å; R96-D98 IonicContact NE-OD2 3.66Å; R96-D98 PolarHBondContact NE-OD2 2.61Å
97	V	34.5	Very low	48.7	Very low	137 Å²	137	125 Å²	125	83%	0.83	65%	0.653	S	S	*	*			trans	-91.2	103.3	147.5	-178.9	0	0	0	0	103.6	S95	S95-V97 PolarHBondContact O-N 2.77Å
98	D	34.8	Very low	51	Low	90 Å²	90	120.7 Å²	120.7	48%	0.481	64%	0.644	S	S	.	*			trans	-112.8	163.2	-135.6	-144.3	-17.6	0	0	0	115	R96 S100 Q101	R96-D98 HydrophobicContact CB-CB 4.06Å; R96-D98 WeakPolarHBondContact CB-OD2 3.03Å; R96-D98 WeakPolarHBondContact CD-OD2 3.28Å; R96-D98 WeakPolarHBondContact CG-OD2 3.24Å; R96-D98 IonicContact NE-OD2 3.66Å; R96-D98 PolarHBondContact NE-OD2 2.61Å; D98-S100 PolarHBondContact O-N 3.49Å; D98-Q101 PolarHBondContact O-N 3.27Å
99	S	45.7	Very low	53.2	Low	83 Å²	83	114.8 Å²	114.8	58%	0.58	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-38.6	-25.5	-170.2	-168.9	0	0	0	0	118.8	Q101	S99-Q101 VanDerWaalsContact C-N 3.29Å; S99-Q101 PolarHBondContact O-N 2.94Å
100	S	48.4	Very low	56	Low	77 Å²	77	112.4 Å²	112.4	54%	0.538	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-67.1	-24.8	178.1	-63	0	0	0	0	114	D98 E102 Y103 T104	D98-S100 PolarHBondContact O-N 3.49Å; S100-E102 PolarHBondContact O-N 3.31Å; S100-Y103 PolarHBondContact O-N 3.05Å; S100-Y103 VanDerWaalsContact O-N 3.11Å; S100-T104 PolarHBondContact O-OG1 3.48Å
101	Q	52.7	Low	58.4	Low	150 Å²	150	106.3 Å²	106.3	70%	0.701	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-67	-23.9	-174.7	-168.3	162.5	6	0	0	113.2	D98 S99 Y103	D98-Q101 PolarHBondContact O-N 3.27Å; S99-Q101 VanDerWaalsContact C-N 3.29Å; S99-Q101 PolarHBondContact O-N 2.94Å; Q101-Y103 PolarHBondContact O-N 2.88Å
102	E	65.6	Low	61.1	Low	115 Å²	115	98.8 Å²	98.8	54%	0.537	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-71.3	-16.8	176.4	-125	-166.9	129.6	0	0	113.6	S100 R190	S100-E102 PolarHBondContact O-N 3.31Å; E102-R190 PolarHBondContact O-NH2 2.76Å; E102-R190 VanDerWaalsContact OE1-CD 3.25Å; E102-R190 WeakPolarHBondContact OE1-CD 3.46Å; E102-R190 IonicContact OE1-CZ 2.67Å; E102-R190 IonicContact OE1-NE 3.07Å; E102-R190 PolarHBondContact OE1-NE 3.46Å; E102-R190 IonicContact OE1-NH1 3.46Å; E102-R190 PolarHBondContact OE1-NH1 3.45Å
103	Y	74.2	Confident	63.9	Low	48 Å²	48	96.3 Å²	96.3	19%	0.188	53%	0.53	C	S	.	.	G	3₁₀ helix	trans	-115.9	18.6	-173.5	-63.7	-76	0	0	0	113.4	S100 Q101 V111 H112 Y167	S100-Y103 PolarHBondContact O-N 3.05Å; S100-Y103 VanDerWaalsContact O-N 3.11Å; Q101-Y103 PolarHBondContact O-N 2.88Å; Y103-V111 WeakPolarHBondContact O-CB 3.32Å; Y103-V111 WeakPolarHBondContact O-CG2 3.35Å; Y103-V111 PolarHBondContact O-N 3.31Å; Y103-H112 HydrophobicContact CG-CB 4.42Å; Y103-Y167 AromaticContact CD1-CD2 3.45Å; Y103-Y167 HydrophobicContact CD1-CD2 3.45Å; Y103-Y167 VanDerWaalsContact CD1-CD2 3.45Å; Y103-Y167 AromaticContact CD1-CE2 3.32Å; Y103-Y167 HydrophobicContact CD1-CE2 3.32Å; Y103-Y167 AromaticContact CE1-CD2 3.81Å; Y103-Y167 HydrophobicContact CE1-CD2 3.81Å; Y103-Y167 AromaticContact CE1-CE2 3.37Å; Y103-Y167 HydrophobicContact CE1-CE2 3.37Å; Y103-Y167 AromaticContact CE1-CZ 3.99Å; Y103-Y167 HydrophobicContact CG-CE2 4.38Å
104	T	78.5	Confident	66.6	Low	62 Å²	62	90.1 Å²	90.1	38%	0.38	50%	0.498	S	S	.	.	B	Isolated β-bridge	trans	-98.9	134.5	177.6	-53.7	0	0	0	0	110.6	S100 I109	S100-T104 PolarHBondContact O-OG1 3.48Å; T104-I109 WeakPolarHBondContact CA-O 3.46Å
105	D	80.6	Confident	69.4	Low	22 Å²	22	82 Å²	82	12%	0.118	46%	0.456	C	S	.	.			trans	-81	171.1	174.9	69.9	22.5	0	0	0	112.8	T107 G108 I109 V111 R163	D105-T107 PolarHBondContact O-N 2.77Å; D105-T107 WeakPolarHBondContact OD1-CA 3.32Å; D105-T107 WeakPolarHBondContact OD1-CB 3.35Å; D105-T107 PolarHBondContact OD1-N 2.72Å; D105-T107 PolarHBondContact OD1-OG1 3.24Å; D105-T107 VanDerWaalsContact OD1-OG1 3.07Å; D105-G108 PolarHBondContact O-N 2.93Å; D105-G108 PolarHBondContact OD1-N 2.99Å; D105-I109 PolarHBondContact N-O 3.16Å; D105-I109 PolarHBondContact OD1-N 2.79Å; D105-V111 HydrophobicContact CB-CG2 3.57Å; D105-R163 IonicContact OD2-CZ 2.7Å; D105-R163 VanDerWaalsContact OD2-CZ 3.31Å; D105-R163 IonicContact OD2-NH1 2.78Å; D105-R163 PolarHBondContact OD2-NH1 3.34Å; D105-R163 IonicContact OD2-NH2 3.19Å; D105-R163 PolarHBondContact OD2-NH2 2.82Å
106	S	75.2	Confident	72.1	Confident	128 Å²	128	79.2 Å²	79.2	90%	0.895	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-5.4	176.1	-39.1	0	0	0	0	114.7
107	T	81	Confident	74.5	Confident	106 Å²	106	73.5 Å²	73.5	65%	0.65	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-5	173.9	-25.9	0	0	0	0	111.8	D105 I109	D105-T107 PolarHBondContact O-N 2.77Å; D105-T107 WeakPolarHBondContact OD1-CA 3.32Å; D105-T107 WeakPolarHBondContact OD1-CB 3.35Å; D105-T107 PolarHBondContact OD1-N 2.72Å; D105-T107 PolarHBondContact OD1-OG1 3.24Å; D105-T107 VanDerWaalsContact OD1-OG1 3.07Å; T107-I109 HydrophobicContact CG2-CD1 4.07Å
108	G	79.1	Confident	77.3	Confident	60 Å²	60	67.2 Å²	67.2	62%	0.619	38%	0.383	S	S	*	.	S	Bend	trans	80.5	14.8	-174.1	0	0	0	0	0	114.2	D105	D105-G108 PolarHBondContact O-N 2.93Å; D105-G108 PolarHBondContact OD1-N 2.99Å
109	I	86.4	Confident	80	Confident	63 Å²	63	63 Å²	63	32%	0.323	36%	0.36	S	S	.	.			trans	-92.3	132.4	-179.4	-62.1	163.3	0	0	0	109.2	T104 D105 T107 V111 F114 R163	T104-I109 WeakPolarHBondContact CA-O 3.46Å; D105-I109 PolarHBondContact N-O 3.16Å; D105-I109 PolarHBondContact OD1-N 2.79Å; T107-I109 HydrophobicContact CG2-CD1 4.07Å; I109-V111 PolarHBondContact O-N 2.95Å; I109-F114 HydrophobicContact CG2-CB 4.3Å; I109-R163 VanDerWaalsContact CD1-NH2 3.25Å
110	D	89.4	Confident	81.9	Confident	49 Å²	49	63.3 Å²	63.3	26%	0.262	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-62.7	107.9	167.5	-173.8	-29.3	0	0	0	109	H112 E113 F114	D110-H112 VanDerWaalsContact C-N 3.32Å; D110-H112 WeakPolarHBondContact OD1-CA 3.37Å; D110-H112 VanDerWaalsContact OD1-CB 3.31Å; D110-H112 WeakPolarHBondContact OD1-CB 3.38Å; D110-H112 PolarHBondContact OD1-N 3.35Å; D110-E113 HydrophobicContact CB-CB 3.93Å; D110-E113 PolarHBondContact OD1-N 3.03Å; D110-F114 WeakPolarHBondContact O-CB 3.44Å; D110-F114 PolarHBondContact O-N 3.25Å
111	V	90.7	Very high	83.8	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	35%	0.351	C	S	.	.	H	α-helix	trans	-69.5	-34.7	-178.4	-177.5	0	0	0	0	110.4	Y103 D105 I109 L115 R163 Y167	Y103-V111 WeakPolarHBondContact O-CB 3.32Å; Y103-V111 WeakPolarHBondContact O-CG2 3.35Å; Y103-V111 PolarHBondContact O-N 3.31Å; D105-V111 HydrophobicContact CB-CG2 3.57Å; I109-V111 PolarHBondContact O-N 2.95Å; V111-L115 HydrophobicContact CG1-CD1 3.69Å; V111-L115 HydrophobicContact CG1-CG 4.18Å; V111-L115 VanDerWaalsContact O-CB 3.25Å; V111-L115 WeakPolarHBondContact O-CB 3.48Å; V111-L115 WeakPolarHBondContact O-CD1 3.44Å; V111-L115 WeakPolarHBondContact O-CG 3.48Å; V111-L115 PolarHBondContact O-N 2.87Å; V111-R163 HydrophobicContact CG1-CB 4.19Å; V111-R163 WeakPolarHBondContact CG1-O 3.32Å; V111-Y167 HydrophobicContact CG1-CD2 4.37Å
112	H	89.8	Confident	85.6	Confident	55 Å²	55	60.4 Å²	60.4	26%	0.255	33%	0.334	S	S	.	.	H	α-helix	trans	-67.4	-50.4	177.1	-178.6	69.8	0	0	0	110.3	Y103 D110 F114 L115 V116 Y167 H199	Y103-H112 HydrophobicContact CG-CB 4.42Å; D110-H112 VanDerWaalsContact C-N 3.32Å; D110-H112 WeakPolarHBondContact OD1-CA 3.37Å; D110-H112 VanDerWaalsContact OD1-CB 3.31Å; D110-H112 WeakPolarHBondContact OD1-CB 3.38Å; D110-H112 PolarHBondContact OD1-N 3.35Å; H112-F114 VanDerWaalsContact C-N 3.34Å; H112-F114 PolarHBondContact O-N 3.49Å; H112-L115 PolarHBondContact O-N 3.06Å; H112-V116 WeakPolarHBondContact O-CB 3.45Å; H112-V116 VanDerWaalsContact O-CG2 3.28Å; H112-V116 WeakPolarHBondContact O-CG2 3.42Å; H112-V116 PolarHBondContact O-N 3.4Å; H112-Y167 HydrophobicContact CB-CD2 4.4Å; H112-Y167 HydrophobicContact CB-CE2 3.89Å; H112-Y167 AromaticContact ND1-CE2 3.53Å; H112-Y167 AromaticContact ND1-CZ 3.79Å; H112-Y167 PolarHBondContact ND1-OH 2.88Å; H112-H199 AromaticContact CE1-CE1 3.96Å; H112-H199 AromaticContact CE1-NE2 3.85Å
113	E	91.1	Very high	86.6	Confident	136 Å²	136	58.6 Å²	58.6	64%	0.636	33%	0.332	S	S	*	.	H	α-helix	trans	-56.5	-48.7	174.8	-170.8	-174.7	-178.8	0	0	110.9	D110 L115 V116 N117	D110-E113 HydrophobicContact CB-CB 3.93Å; D110-E113 PolarHBondContact OD1-N 3.03Å; E113-L115 PolarHBondContact O-N 2.87Å; E113-V116 PolarHBondContact O-N 3.42Å; E113-N117 WeakPolarHBondContact O-CB 3.39Å; E113-N117 PolarHBondContact O-N 3.46Å
114	F	92.6	Very high	87.2	Confident	48 Å²	48	66.8 Å²	66.8	21%	0.211	36%	0.363	C	S	.	.	H	α-helix	trans	-56.9	-47.2	177.6	173.8	-84.4	0	0	0	112.4	I109 D110 H112 N117 T118 M159 L160	I109-F114 HydrophobicContact CG2-CB 4.3Å; D110-F114 WeakPolarHBondContact O-CB 3.44Å; D110-F114 PolarHBondContact O-N 3.25Å; H112-F114 VanDerWaalsContact C-N 3.34Å; H112-F114 PolarHBondContact O-N 3.49Å; F114-N117 PolarHBondContact O-N 2.94Å; F114-T118 WeakPolarHBondContact CE1-OG1 3.22Å; F114-T118 WeakPolarHBondContact CZ-OG1 3.28Å; F114-T118 VanDerWaalsContact O-CB 3.31Å; F114-T118 WeakPolarHBondContact O-CB 3.39Å; F114-T118 PolarHBondContact O-N 3.49Å; F114-T118 PolarHBondContact O-OG1 3.28Å; F114-M159 HydrophobicContact CZ-CE 3.86Å; F114-L160 HydrophobicContact CE1-CD2 3.93Å; F114-L160 HydrophobicContact CZ-CD2 4.1Å
115	L	92.4	Very high	87.9	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-68.2	-44	-177.4	-74.5	170.4	0	0	0	111	V111 H112 E113 N117 T118 L119 L129 V164 Y167 F196	V111-L115 HydrophobicContact CG1-CD1 3.69Å; V111-L115 HydrophobicContact CG1-CG 4.18Å; V111-L115 VanDerWaalsContact O-CB 3.25Å; V111-L115 WeakPolarHBondContact O-CB 3.48Å; V111-L115 WeakPolarHBondContact O-CD1 3.44Å; V111-L115 WeakPolarHBondContact O-CG 3.48Å; V111-L115 PolarHBondContact O-N 2.87Å; H112-L115 PolarHBondContact O-N 3.06Å; E113-L115 PolarHBondContact O-N 2.87Å; L115-N117 PolarHBondContact O-N 3.3Å; L115-T118 PolarHBondContact O-N 2.95Å; L115-L119 VanDerWaalsContact O-CB 3.28Å; L115-L119 WeakPolarHBondContact O-CB 3.36Å; L115-L119 WeakPolarHBondContact O-CD1 3.36Å; L115-L119 WeakPolarHBondContact O-CG 3.46Å; L115-L119 PolarHBondContact O-N 2.72Å; L115-L129 HydrophobicContact CD2-CD1 4.23Å; L115-L129 HydrophobicContact CD2-CD2 3.72Å; L115-V164 HydrophobicContact CD2-CG2 3.78Å; L115-Y167 HydrophobicContact CD1-CD1 4.11Å; L115-Y167 HydrophobicContact CD1-CD2 3.96Å; L115-Y167 HydrophobicContact CD1-CG 3.63Å; L115-F196 HydrophobicContact CB-CE1 4.5Å; L115-F196 HydrophobicContact CD1-CE1 3.87Å; L115-F196 HydrophobicContact CD1-CZ 3.72Å; L115-F196 HydrophobicContact CD2-CZ 4.33Å
116	V	90.8	Very high	88.5	Confident	22 Å²	22	65.2 Å²	65.2	13%	0.133	35%	0.35	C	S	.	.	H	α-helix	trans	-62.9	-42.8	176.4	175	0	0	0	0	111.1	H112 E113 K120 H199	H112-V116 WeakPolarHBondContact O-CB 3.45Å; H112-V116 VanDerWaalsContact O-CG2 3.28Å; H112-V116 WeakPolarHBondContact O-CG2 3.42Å; H112-V116 PolarHBondContact O-N 3.4Å; E113-V116 PolarHBondContact O-N 3.42Å; V116-K120 HydrophobicContact CG1-CD 4.12Å; V116-K120 WeakPolarHBondContact O-CB 3.43Å; V116-K120 WeakPolarHBondContact O-CG 3.29Å; V116-K120 PolarHBondContact O-N 3.29Å; V116-H199 VanDerWaalsContact CG2-CD2 3.47Å; V116-H199 WeakPolarHBondContact CG2-CD2 3.28Å; V116-H199 VanDerWaalsContact CG2-NE2 3.29Å; V116-H199 WeakPolarHBondContact CG2-NE2 3.47Å
117	N	91.3	Very high	89.2	Confident	91 Å²	91	65.5 Å²	65.5	49%	0.487	34%	0.339	S	S	.	.	H	α-helix	trans	-64.2	-40.4	175.9	-172.6	60.1	0	0	0	111.8	E113 F114 L115 N121	E113-N117 WeakPolarHBondContact O-CB 3.39Å; E113-N117 PolarHBondContact O-N 3.46Å; F114-N117 PolarHBondContact O-N 2.94Å; L115-N117 PolarHBondContact O-N 3.3Å; N117-N121 WeakPolarHBondContact O-CB 3.35Å; N117-N121 PolarHBondContact O-N 3.11Å; N117-N121 PolarHBondContact O-ND2 2.93Å; N117-N121 PolarHBondContact OD1-ND2 3.1Å
118	T	92.5	Very high	89.8	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-70.5	-42.6	178	-57	0	0	0	0	111.7	F114 L115 K120 N122 D125 L129 L160	F114-T118 WeakPolarHBondContact CE1-OG1 3.22Å; F114-T118 WeakPolarHBondContact CZ-OG1 3.28Å; F114-T118 VanDerWaalsContact O-CB 3.31Å; F114-T118 WeakPolarHBondContact O-CB 3.39Å; F114-T118 PolarHBondContact O-N 3.49Å; F114-T118 PolarHBondContact O-OG1 3.28Å; L115-T118 PolarHBondContact O-N 2.95Å; T118-K120 VanDerWaalsContact C-N 3.3Å; T118-K120 PolarHBondContact O-N 3.02Å; T118-N122 PolarHBondContact O-N 3.38Å; T118-N122 VanDerWaalsContact O-N 3.12Å; T118-D125 HydrophobicContact CG2-CB 3.73Å; T118-L129 HydrophobicContact CG2-CD1 3.79Å; T118-L160 HydrophobicContact CG2-CD2 4.3Å
119	L	91.1	Very high	90.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-36.8	175	-75.8	166.6	0	0	0	112.2	L115 R126 L129 F196 H199 I200	L115-L119 VanDerWaalsContact O-CB 3.28Å; L115-L119 WeakPolarHBondContact O-CB 3.36Å; L115-L119 WeakPolarHBondContact O-CD1 3.36Å; L115-L119 WeakPolarHBondContact O-CG 3.46Å; L115-L119 PolarHBondContact O-N 2.72Å; L119-R126 WeakPolarHBondContact O-CD 3.47Å; L119-R126 WeakPolarHBondContact O-CG 3.37Å; L119-R126 PolarHBondContact O-NE 3.41Å; L119-L129 HydrophobicContact CD2-CB 3.75Å; L119-L129 HydrophobicContact CD2-CD1 3.8Å; L119-L129 HydrophobicContact CD2-CG 4.44Å; L119-L129 HydrophobicContact CG-CD1 3.82Å; L119-F196 HydrophobicContact CD1-CB 3.65Å; L119-F196 HydrophobicContact CD1-CD1 3.85Å; L119-F196 HydrophobicContact CD1-CG 3.76Å; L119-F196 HydrophobicContact CD2-CB 4.03Å; L119-F196 HydrophobicContact CD2-CG 4.44Å; L119-H199 HydrophobicContact CD1-CB 4.26Å; L119-I200 HydrophobicContact CB-CG2 4.31Å; L119-I200 HydrophobicContact CD2-CG2 4.28Å
120	K	87	Confident	90.9	Very high	90 Å²	90	58.4 Å²	58.4	39%	0.391	28%	0.282	S	S	.	.	H	α-helix	trans	-78.1	-52.2	178.8	-72.1	176.5	178.1	179.6	0	112.2	V116 T118 R126	V116-K120 HydrophobicContact CG1-CD 4.12Å; V116-K120 WeakPolarHBondContact O-CB 3.43Å; V116-K120 WeakPolarHBondContact O-CG 3.29Å; V116-K120 PolarHBondContact O-N 3.29Å; T118-K120 VanDerWaalsContact C-N 3.3Å; T118-K120 PolarHBondContact O-N 3.02Å; K120-R126 PolarHBondContact O-NH1 3.29Å
121	N	87.9	Confident	91.1	Very high	101 Å²	101	62 Å²	62	54%	0.54	30%	0.296	S	S	.	.	H	α-helix	trans	-83.1	-23.5	-168.5	-64.4	-72.8	0	0	0	115.4	N117 P123	N117-N121 WeakPolarHBondContact O-CB 3.35Å; N117-N121 PolarHBondContact O-N 3.11Å; N117-N121 PolarHBondContact O-ND2 2.93Å; N117-N121 PolarHBondContact OD1-ND2 3.1Å; N121-P123 WeakPolarHBondContact O-CD 3.39Å
122	N	90.4	Very high	91.3	Very high	66 Å²	66	62 Å²	62	35%	0.353	30%	0.295	S	S	.	.			trans	-118.9	93.8	-170.2	-66.8	-66.5	0	0	0	112.4	T118 R124 D125 R126	T118-N122 PolarHBondContact O-N 3.38Å; T118-N122 VanDerWaalsContact O-N 3.12Å; N122-R124 PolarHBondContact O-N 3.15Å; N122-D125 HydrophobicContact CB-CB 3.97Å; N122-D125 WeakPolarHBondContact CB-OD2 3.37Å; N122-D125 PolarHBondContact O-N 2.89Å; N122-R126 VanDerWaalsContact O-CB 3.26Å; N122-R126 WeakPolarHBondContact O-CB 3.48Å; N122-R126 PolarHBondContact O-N 2.79Å
123	P	86.3	Confident	91.5	Very high	76 Å²	76	59.6 Å²	59.6	49%	0.494	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-17.7	-173.9	23.7	-34.1	0	0	0	115	N121	N121-P123 WeakPolarHBondContact O-CD 3.39Å
124	R	86.9	Confident	91.7	Very high	221 Å²	221	58 Å²	58	83%	0.834	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-44.5	171.8	-66.8	-174.2	179.6	-172.7	1.4	111.5	N122 R126 M127 M128	N122-R124 PolarHBondContact O-N 3.15Å; R124-R126 VanDerWaalsContact C-N 3.33Å; R124-M127 WeakPolarHBondContact O-CB 3.45Å; R124-M127 PolarHBondContact O-N 3.24Å; R124-M127 VanDerWaalsContact O-N 3.14Å; R124-M128 PolarHBondContact O-N 3.14Å
125	D	92.6	Very high	91.8	Very high	20 Å²	20	57.5 Å²	57.5	11%	0.107	28%	0.277	C	S	.	.	H	α-helix	trans	-75.2	-29.8	179.2	-50.6	-40.4	0	0	0	110.6	T118 N122 M127 M128 L129 Y156 L160	T118-D125 HydrophobicContact CG2-CB 3.73Å; N122-D125 HydrophobicContact CB-CB 3.97Å; N122-D125 WeakPolarHBondContact CB-OD2 3.37Å; N122-D125 PolarHBondContact O-N 2.89Å; D125-M127 PolarHBondContact O-N 2.9Å; D125-M127 VanDerWaalsContact O-N 3.07Å; D125-M128 PolarHBondContact O-N 3.43Å; D125-L129 WeakPolarHBondContact O-CB 3.43Å; D125-L129 WeakPolarHBondContact O-CG 3.27Å; D125-L129 PolarHBondContact O-N 2.86Å; D125-Y156 WeakPolarHBondContact OD1-CE1 3.41Å; D125-Y156 PolarHBondContact OD2-OH 2.81Å; D125-L160 HydrophobicContact CB-CD1 4.26Å
126	R	93.2	Very high	91.8	Very high	30 Å²	30	57.5 Å²	57.5	11%	0.113	28%	0.276	C	S	.	.	H	α-helix	trans	-55.1	-15.2	165	-161.8	173.9	-152.3	150.1	18.8	114.1	L119 K120 N122 R124 L130 I200 E203	L119-R126 WeakPolarHBondContact O-CD 3.47Å; L119-R126 WeakPolarHBondContact O-CG 3.37Å; L119-R126 PolarHBondContact O-NE 3.41Å; K120-R126 PolarHBondContact O-NH1 3.29Å; N122-R126 VanDerWaalsContact O-CB 3.26Å; N122-R126 WeakPolarHBondContact O-CB 3.48Å; N122-R126 PolarHBondContact O-N 2.79Å; R124-R126 VanDerWaalsContact C-N 3.33Å; R126-L130 WeakPolarHBondContact O-CD1 3.15Å; R126-L130 VanDerWaalsContact O-CG 3.29Å; R126-L130 WeakPolarHBondContact O-CG 3.39Å; R126-I200 HydrophobicContact CG-CG2 3.76Å; R126-E203 IonicContact CZ-OE2 2.65Å; R126-E203 IonicContact NH1-OE2 3.32Å; R126-E203 PolarHBondContact NH1-OE2 3.17Å; R126-E203 IonicContact NH2-OE2 2.88Å; R126-E203 PolarHBondContact NH2-OE2 2.91Å
127	M	91	Very high	92	Very high	134 Å²	134	57 Å²	57	66%	0.66	27%	0.273	S	S	*	.	H	α-helix	trans	-98.1	-44.5	168.5	-176.6	62	63.1	0	0	111.8	R124 D125 L129 L130 K131	R124-M127 WeakPolarHBondContact O-CB 3.45Å; R124-M127 PolarHBondContact O-N 3.24Å; R124-M127 VanDerWaalsContact O-N 3.14Å; D125-M127 PolarHBondContact O-N 2.9Å; D125-M127 VanDerWaalsContact O-N 3.07Å; M127-L129 PolarHBondContact O-N 3.49Å; M127-L130 PolarHBondContact O-N 3.36Å; M127-K131 PolarHBondContact O-N 2.78Å; M127-K131 VanDerWaalsContact O-N 3.11Å
128	M	94.3	Very high	92.1	Very high	38 Å²	38	58 Å²	58	19%	0.187	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-43.1	-180	-173.2	63.5	-171.4	0	0	112.1	R124 D125 K131 L132 M153 H157 L160	R124-M128 PolarHBondContact O-N 3.14Å; D125-M128 PolarHBondContact O-N 3.43Å; M128-K131 PolarHBondContact O-N 3.36Å; M128-L132 HydrophobicContact CE-CD1 4.12Å; M128-L132 HydrophobicContact CE-CD2 3.96Å; M128-L132 HydrophobicContact CE-CG 4.02Å; M128-L132 HydrophobicContact CG-CD1 4.39Å; M128-L132 WeakPolarHBondContact O-CG 3.19Å; M128-L132 PolarHBondContact O-N 3Å; M128-M153 HydrophobicContact CE-SD 3.61Å; M128-H157 HydrophobicContact CE-CB 4.22Å; M128-L160 HydrophobicContact CG-CD1 4.44Å
129	L	94.6	Very high	92.1	Very high	0 Å²	0	58 Å²	58	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-40.4	179	-70.8	174.3	0	0	0	112.4	L115 T118 L119 D125 M127 K131 L132 E133 L160 V164 F196	L115-L129 HydrophobicContact CD2-CD1 4.23Å; L115-L129 HydrophobicContact CD2-CD2 3.72Å; T118-L129 HydrophobicContact CG2-CD1 3.79Å; L119-L129 HydrophobicContact CD2-CB 3.75Å; L119-L129 HydrophobicContact CD2-CD1 3.8Å; L119-L129 HydrophobicContact CD2-CG 4.44Å; L119-L129 HydrophobicContact CG-CD1 3.82Å; D125-L129 WeakPolarHBondContact O-CB 3.43Å; D125-L129 WeakPolarHBondContact O-CG 3.27Å; D125-L129 PolarHBondContact O-N 2.86Å; M127-L129 PolarHBondContact O-N 3.49Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 2.78Å; L129-L132 PolarHBondContact O-N 2.93Å; L129-E133 WeakPolarHBondContact O-CB 3.22Å; L129-E133 PolarHBondContact O-N 3.46Å; L129-L160 HydrophobicContact CD2-CB 4.28Å; L129-L160 HydrophobicContact CD2-CD2 4.31Å; L129-V164 HydrophobicContact CD2-CG2 3.54Å; L129-F196 HydrophobicContact CB-CD2 4.15Å; L129-F196 HydrophobicContact CB-CE2 4.45Å; L129-F196 WeakPolarHBondContact O-CD2 3.49Å
130	L	93.1	Very high	92.2	Very high	43 Å²	43	59.1 Å²	59.1	23%	0.225	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-38.2	174.1	-67.1	177.4	0	0	0	111.7	R126 M127 Q134 F196 I200	R126-L130 WeakPolarHBondContact O-CD1 3.15Å; R126-L130 VanDerWaalsContact O-CG 3.29Å; R126-L130 WeakPolarHBondContact O-CG 3.39Å; M127-L130 PolarHBondContact O-N 3.36Å; L130-Q134 PolarHBondContact O-N 3.4Å; L130-Q134 VanDerWaalsContact O-N 3.11Å; L130-F196 HydrophobicContact CD2-CB 3.87Å; L130-I200 HydrophobicContact CD1-CG1 4.47Å; L130-I200 HydrophobicContact CD2-CG1 4.48Å
131	K	93.9	Very high	92.4	Very high	124 Å²	124	60.2 Å²	60.2	54%	0.539	29%	0.29	S	S	.	.	H	α-helix	trans	-64.6	-45.9	172.6	-178.4	174.6	177.1	177.7	0	111.6	M127 M128 L129 E133 Q134 D135	M127-K131 PolarHBondContact O-N 2.78Å; M127-K131 VanDerWaalsContact O-N 3.11Å; M128-K131 PolarHBondContact O-N 3.36Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 2.78Å; K131-E133 PolarHBondContact O-N 2.94Å; K131-Q134 PolarHBondContact O-N 2.98Å; K131-D135 VanDerWaalsContact CE-OD2 3.28Å; K131-D135 WeakPolarHBondContact CE-OD2 3.15Å; K131-D135 WeakPolarHBondContact O-CB 3.39Å; K131-D135 VanDerWaalsContact O-CG 3.31Å; K131-D135 PolarHBondContact O-N 3.08Å
132	L	95.1	Very high	92.5	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-63.7	-39.9	178.5	-69.8	179.2	0	0	0	112.3	M128 L129 Q134 D135 I136 F150 L160 L161 V164	M128-L132 HydrophobicContact CE-CD1 4.12Å; M128-L132 HydrophobicContact CE-CD2 3.96Å; M128-L132 HydrophobicContact CE-CG 4.02Å; M128-L132 HydrophobicContact CG-CD1 4.39Å; M128-L132 WeakPolarHBondContact O-CG 3.19Å; M128-L132 PolarHBondContact O-N 3Å; L129-L132 PolarHBondContact O-N 2.93Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-Q134 PolarHBondContact O-N 3.41Å; L132-D135 PolarHBondContact O-N 3.13Å; L132-I136 VanDerWaalsContact O-CB 3.28Å; L132-I136 WeakPolarHBondContact O-CB 3.41Å; L132-I136 WeakPolarHBondContact O-CD1 3.5Å; L132-I136 VanDerWaalsContact O-CG1 3.24Å; L132-I136 WeakPolarHBondContact O-CG1 3.39Å; L132-I136 PolarHBondContact O-N 3.18Å; L132-F150 HydrophobicContact CD2-CD1 4.33Å; L132-F150 HydrophobicContact CD2-CE1 3.85Å; L132-F150 HydrophobicContact CD2-CZ 4.46Å; L132-L160 HydrophobicContact CD1-CB 4.38Å; L132-L161 HydrophobicContact CD1-CB 4.11Å; L132-L161 HydrophobicContact CD2-CD1 4.19Å; L132-V164 HydrophobicContact CD1-CG2 4.49Å
133	E	94.2	Very high	92.4	Very high	5 Å²	5	61 Å²	61	2%	0.023	29%	0.294	C	S	.	.	H	α-helix	trans	-54	-49.3	169.9	166.8	175.7	-116.4	0	0	110.8	L129 K131 I136 L137 R195 F196 S197	L129-E133 WeakPolarHBondContact O-CB 3.22Å; L129-E133 PolarHBondContact O-N 3.46Å; K131-E133 PolarHBondContact O-N 2.94Å; E133-I136 PolarHBondContact O-N 3.31Å; E133-L137 HydrophobicContact CG-CD1 3.67Å; E133-L137 HydrophobicContact CG-CG 4.46Å; E133-L137 WeakPolarHBondContact O-CB 3.44Å; E133-L137 VanDerWaalsContact O-CG 3.22Å; E133-L137 WeakPolarHBondContact O-CG 3.42Å; E133-L137 PolarHBondContact O-N 3.23Å; E133-R195 VanDerWaalsContact OE1-CA 3.31Å; E133-R195 WeakPolarHBondContact OE1-CA 3.44Å; E133-R195 WeakPolarHBondContact OE1-CB 3.5Å; E133-R195 VanDerWaalsContact OE1-CD 3.28Å; E133-R195 WeakPolarHBondContact OE1-CD 3.38Å; E133-R195 IonicContact OE1-NE 3.21Å; E133-R195 PolarHBondContact OE1-NE 3.28Å; E133-R195 IonicContact OE2-NE 3.38Å; E133-F196 HydrophobicContact CB-CD2 3.59Å; E133-F196 HydrophobicContact CB-CE2 3.95Å; E133-F196 HydrophobicContact CB-CG 4.33Å; E133-F196 HydrophobicContact CG-CD2 4.37Å; E133-F196 PolarHBondContact OE1-N 3.36Å; E133-S197 PolarHBondContact OE2-N 3.15Å; E133-S197 PolarHBondContact OE2-OG 3Å
134	Q	93.9	Very high	92.6	Very high	102 Å²	102	64.4 Å²	64.4	48%	0.477	31%	0.309	S	S	.	.	H	α-helix	trans	-67.8	-44.8	-178.9	-173.7	55.4	70.9	0	0	112.9	L130 K131 L132 I136 L137 E138	L130-Q134 PolarHBondContact O-N 3.4Å; L130-Q134 VanDerWaalsContact O-N 3.11Å; K131-Q134 PolarHBondContact O-N 2.98Å; L132-Q134 VanDerWaalsContact C-N 3.33Å; L132-Q134 PolarHBondContact O-N 3.41Å; Q134-I136 PolarHBondContact O-N 3.29Å; Q134-L137 PolarHBondContact O-N 2.94Å; Q134-E138 WeakPolarHBondContact O-CB 3.29Å; Q134-E138 PolarHBondContact O-N 3.2Å
135	D	94.5	Very high	92.8	Very high	38 Å²	38	57.7 Å²	57.7	20%	0.203	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-31.1	178.6	-70.5	-7.8	0	0	0	111.4	K131 L132 F139 K148 F150	K131-D135 VanDerWaalsContact CE-OD2 3.28Å; K131-D135 WeakPolarHBondContact CE-OD2 3.15Å; K131-D135 WeakPolarHBondContact O-CB 3.39Å; K131-D135 VanDerWaalsContact O-CG 3.31Å; K131-D135 PolarHBondContact O-N 3.08Å; L132-D135 PolarHBondContact O-N 3.13Å; D135-F139 WeakPolarHBondContact O-CB 3.47Å; D135-F139 PolarHBondContact O-N 3.08Å; D135-K148 PolarHBondContact O-NZ 2.89Å; D135-F150 HydrophobicContact CB-CE1 3.95Å; D135-F150 HydrophobicContact CB-CZ 4.27Å
136	I	94.2	Very high	92.8	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-82.5	-43.4	177.8	-71.5	169.2	0	0	0	111.7	L132 E133 Q134 E138 F139 I140 F150 L161 V164 F168 M170 I183	L132-I136 VanDerWaalsContact O-CB 3.28Å; L132-I136 WeakPolarHBondContact O-CB 3.41Å; L132-I136 WeakPolarHBondContact O-CD1 3.5Å; L132-I136 VanDerWaalsContact O-CG1 3.24Å; L132-I136 WeakPolarHBondContact O-CG1 3.39Å; L132-I136 PolarHBondContact O-N 3.18Å; E133-I136 PolarHBondContact O-N 3.31Å; Q134-I136 PolarHBondContact O-N 3.29Å; I136-E138 VanDerWaalsContact C-N 3.34Å; I136-E138 PolarHBondContact O-N 3.23Å; I136-F139 WeakPolarHBondContact O-CB 3.15Å; I136-F139 PolarHBondContact O-N 3.04Å; I136-F139 VanDerWaalsContact O-N 3.11Å; I136-I140 HydrophobicContact CG2-CD1 3.78Å; I136-I140 HydrophobicContact CG2-CG1 4.29Å; I136-I140 WeakPolarHBondContact O-CG1 3.23Å; I136-I140 PolarHBondContact O-N 3.32Å; I136-F150 HydrophobicContact CG1-CZ 4.12Å; I136-L161 HydrophobicContact CD1-CD1 3.91Å; I136-V164 HydrophobicContact CD1-CB 4.29Å; I136-V164 HydrophobicContact CD1-CG1 3.53Å; I136-F168 HydrophobicContact CG2-CB 4.32Å; I136-F168 HydrophobicContact CG2-CD1 3.91Å; I136-F168 HydrophobicContact CG2-CD2 4.11Å; I136-F168 HydrophobicContact CG2-CE1 4.23Å; I136-F168 HydrophobicContact CG2-CE2 4.41Å; I136-F168 HydrophobicContact CG2-CG 3.85Å; I136-F168 HydrophobicContact CG2-CZ 4.47Å; I136-M170 HydrophobicContact CG2-SD 3.7Å; I136-I183 HydrophobicContact CD1-CD1 4.42Å; I136-I183 HydrophobicContact CG1-CD1 3.81Å
137	L	93.1	Very high	92.8	Very high	11 Å²	11	68.3 Å²	68.3	6%	0.058	33%	0.334	C	S	.	.	H	α-helix	trans	-61.5	-42.4	176	-75.4	168.7	0	0	0	112.1	E133 Q134 F139 I140 N141 F168 I191	E133-L137 HydrophobicContact CG-CD1 3.67Å; E133-L137 HydrophobicContact CG-CG 4.46Å; E133-L137 WeakPolarHBondContact O-CB 3.44Å; E133-L137 VanDerWaalsContact O-CG 3.22Å; E133-L137 WeakPolarHBondContact O-CG 3.42Å; E133-L137 PolarHBondContact O-N 3.23Å; Q134-L137 PolarHBondContact O-N 2.94Å; L137-F139 VanDerWaalsContact C-N 3.3Å; L137-F139 PolarHBondContact O-N 3.26Å; L137-I140 PolarHBondContact O-N 3.47Å; L137-N141 VanDerWaalsContact O-CG 3.26Å; L137-N141 PolarHBondContact O-N 3.43Å; L137-N141 VanDerWaalsContact O-N 3.12Å; L137-N141 PolarHBondContact O-ND2 2.98Å; L137-F168 HydrophobicContact CD2-CE1 3.77Å; L137-F168 HydrophobicContact CD2-CZ 4.36Å; L137-F168 HydrophobicContact CG-CE1 4.1Å; L137-F168 HydrophobicContact CG-CZ 4.29Å; L137-I191 HydrophobicContact CD2-CD1 4.38Å; L137-I191 HydrophobicContact CD2-CG1 4.22Å; L137-I191 HydrophobicContact CD2-CG2 3.94Å
138	E	93.7	Very high	93	Very high	113 Å²	113	64.3 Å²	64.3	53%	0.528	31%	0.313	S	S	.	.	H	α-helix	trans	-57.9	-44.7	172	-179.5	-170	-127.5	0	0	111.1	Q134 I136 N141 D142 K148	Q134-E138 WeakPolarHBondContact O-CB 3.29Å; Q134-E138 PolarHBondContact O-N 3.2Å; I136-E138 VanDerWaalsContact C-N 3.34Å; I136-E138 PolarHBondContact O-N 3.23Å; E138-N141 PolarHBondContact O-N 3.24Å; E138-D142 PolarHBondContact O-N 3.15Å; E138-D142 VanDerWaalsContact O-N 3.08Å; E138-K148 IonicContact OE2-NZ 2.67Å; E138-K148 PolarHBondContact OE2-NZ 3.07Å
139	F	94.2	Very high	93	Very high	4 Å²	4	67.5 Å²	67.5	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-64.5	-44.5	178.1	173.7	-127.7	0	0	0	112.9	D135 I136 L137 N141 D142 N145 Y147 K148 M170 I183 K185	D135-F139 WeakPolarHBondContact O-CB 3.47Å; D135-F139 PolarHBondContact O-N 3.08Å; I136-F139 WeakPolarHBondContact O-CB 3.15Å; I136-F139 PolarHBondContact O-N 3.04Å; I136-F139 VanDerWaalsContact O-N 3.11Å; L137-F139 VanDerWaalsContact C-N 3.3Å; L137-F139 PolarHBondContact O-N 3.26Å; F139-N141 VanDerWaalsContact C-N 3.27Å; F139-N141 PolarHBondContact O-N 3.22Å; F139-D142 PolarHBondContact O-N 3.49Å; F139-D142 VanDerWaalsContact O-N 3.13Å; F139-N145 HydrophobicContact CD2-CB 4.34Å; F139-N145 HydrophobicContact CE2-CB 3.89Å; F139-N145 VanDerWaalsContact CE2-O 3.27Å; F139-N145 WeakPolarHBondContact CE2-O 3.24Å; F139-Y147 VanDerWaalsContact CZ-C 3.44Å; F139-K148 HydrophobicContact CB-CD 3.56Å; F139-K148 HydrophobicContact CD1-CB 3.94Å; F139-K148 HydrophobicContact CD1-CD 4.4Å; F139-K148 HydrophobicContact CD2-CB 3.69Å; F139-K148 HydrophobicContact CD2-CD 3.98Å; F139-K148 HydrophobicContact CD2-CG 4.44Å; F139-K148 HydrophobicContact CE1-CB 3.98Å; F139-K148 HydrophobicContact CE2-CB 3.75Å; F139-K148 HydrophobicContact CG-CB 3.79Å; F139-K148 HydrophobicContact CG-CD 3.72Å; F139-K148 HydrophobicContact CG-CG 4.42Å; F139-K148 HydrophobicContact CZ-CB 3.9Å; F139-M170 HydrophobicContact CD1-CE 3.73Å; F139-M170 HydrophobicContact CE1-CE 3.46Å; F139-M170 VanDerWaalsContact CE1-CE 3.46Å; F139-I183 HydrophobicContact CD1-CD1 3.5Å; F139-I183 VanDerWaalsContact CD1-CD1 3.5Å; F139-I183 HydrophobicContact CD1-CG1 3.96Å; F139-I183 HydrophobicContact CE1-CD1 3.78Å; F139-I183 HydrophobicContact CE1-CG1 3.74Å; F139-K185 HydrophobicContact CE1-CG 3.84Å; F139-K185 HydrophobicContact CE2-CG 4.43Å; F139-K185 HydrophobicContact CZ-CD 4.3Å; F139-K185 HydrophobicContact CZ-CG 3.69Å; F139-K185 WeakPolarHBondContact O-CE 3.45Å; F139-K185 PolarHBondContact O-NZ 3.33Å
140	I	92.3	Very high	93.1	Very high	25 Å²	25	67.9 Å²	67.9	13%	0.128	33%	0.327	C	S	.	.	H	α-helix	trans	-57.5	-44.4	177.5	-69.5	168.9	0	0	0	110	I136 L137 D142 F168 M170 K185 T189 I191	I136-I140 HydrophobicContact CG2-CD1 3.78Å; I136-I140 HydrophobicContact CG2-CG1 4.29Å; I136-I140 WeakPolarHBondContact O-CG1 3.23Å; I136-I140 PolarHBondContact O-N 3.32Å; L137-I140 PolarHBondContact O-N 3.47Å; I140-D142 VanDerWaalsContact C-N 3.34Å; I140-D142 PolarHBondContact O-N 3.44Å; I140-F168 HydrophobicContact CD1-CD1 3.57Å; I140-F168 HydrophobicContact CD1-CE1 4.18Å; I140-F168 HydrophobicContact CD1-CG 4.41Å; I140-M170 HydrophobicContact CD1-SD 4.09Å; I140-M170 HydrophobicContact CG1-CE 4.15Å; I140-M170 HydrophobicContact CG1-SD 4.11Å; I140-K185 PolarHBondContact O-NZ 3.41Å; I140-T189 HydrophobicContact CD1-CG2 3.96Å; I140-T189 HydrophobicContact CG1-CG2 3.82Å; I140-T189 HydrophobicContact CG2-CG2 4.45Å; I140-I191 HydrophobicContact CD1-CG1 4.48Å; I140-I191 HydrophobicContact CG2-CD1 4.24Å; I140-I191 HydrophobicContact CG2-CG1 4.18Å
141	N	90.7	Very high	93.2	Very high	112 Å²	112	70.6 Å²	70.6	60%	0.599	35%	0.347	S	S	*	.	H	α-helix	trans	-68	-26.4	178	-67	-25.6	0	0	0	114.2	L137 E138 F139 N143	L137-N141 VanDerWaalsContact O-CG 3.26Å; L137-N141 PolarHBondContact O-N 3.43Å; L137-N141 VanDerWaalsContact O-N 3.12Å; L137-N141 PolarHBondContact O-ND2 2.98Å; E138-N141 PolarHBondContact O-N 3.24Å; F139-N141 VanDerWaalsContact C-N 3.27Å; F139-N141 PolarHBondContact O-N 3.22Å; N141-N143 PolarHBondContact O-N 2.91Å; N141-N143 VanDerWaalsContact O-N 3.13Å
142	D	91.5	Very high	93.1	Very high	52 Å²	52	71.4 Å²	71.4	28%	0.278	35%	0.353	S	S	.	.			trans	-79.6	90	177.6	178.3	13.2	0	0	0	111.9	E138 F139 I140 N144 N145 K185	E138-D142 PolarHBondContact O-N 3.15Å; E138-D142 VanDerWaalsContact O-N 3.08Å; F139-D142 PolarHBondContact O-N 3.49Å; F139-D142 VanDerWaalsContact O-N 3.13Å; I140-D142 VanDerWaalsContact C-N 3.34Å; I140-D142 PolarHBondContact O-N 3.44Å; D142-N144 PolarHBondContact O-N 3.43Å; D142-N144 VanDerWaalsContact O-N 3.12Å; D142-N144 WeakPolarHBondContact OD1-CB 3.46Å; D142-N144 PolarHBondContact OD1-N 2.91Å; D142-N144 VanDerWaalsContact OD1-N 3.13Å; D142-N145 PolarHBondContact O-N 2.65Å; D142-N145 PolarHBondContact OD2-ND2 2.89Å; D142-K185 VanDerWaalsContact C-NZ 3.34Å; D142-K185 PolarHBondContact O-NZ 3.38Å
143	N	87.7	Confident	93	Very high	131 Å²	131	72.8 Å²	72.8	70%	0.701	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.3	-178.8	-68	-37.3	0	0	0	114.8	N141	N141-N143 PolarHBondContact O-N 2.91Å; N141-N143 VanDerWaalsContact O-N 3.13Å
144	N	90.1	Very high	93	Very high	149 Å²	149	76.2 Å²	76.2	80%	0.797	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-25.8	-178.5	-59.9	-41.9	0	0	0	112.6	D142	D142-N144 PolarHBondContact O-N 3.43Å; D142-N144 VanDerWaalsContact O-N 3.12Å; D142-N144 WeakPolarHBondContact OD1-CB 3.46Å; D142-N144 PolarHBondContact OD1-N 2.91Å; D142-N144 VanDerWaalsContact OD1-N 3.13Å
145	N	91.8	Very high	93	Very high	79 Å²	79	76 Å²	76	42%	0.422	39%	0.391	S	S	.	.			trans	-107.4	121.6	-175.2	-74.9	-56	0	0	0	111.7	F139 D142 K185	F139-N145 HydrophobicContact CD2-CB 4.34Å; F139-N145 HydrophobicContact CE2-CB 3.89Å; F139-N145 VanDerWaalsContact CE2-O 3.27Å; F139-N145 WeakPolarHBondContact CE2-O 3.24Å; D142-N145 PolarHBondContact O-N 2.65Å; D142-N145 PolarHBondContact OD2-ND2 2.89Å; N145-K185 WeakPolarHBondContact O-CE 3.41Å; N145-K185 PolarHBondContact O-NZ 3.02Å
146	Q	91.4	Very high	93	Very high	122 Å²	122	78.3 Å²	78.3	57%	0.57	40%	0.397	S	S	*	.	S	Bend	trans	-87.1	-21.7	175.7	-67.5	-61.5	-32.3	0	0	113.3	N184 K185	Q146-N184 WeakPolarHBondContact O-CA 3.15Å; Q146-K185 PolarHBondContact O-N 3.23Å
147	Y	94	Very high	93	Very high	151 Å²	151	81.2 Å²	81.2	59%	0.592	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	151.5	175.2	69.6	-89.3	0	0	0	111.5	F139 I182 I183 N184	F139-Y147 VanDerWaalsContact CZ-C 3.44Å; Y147-I182 HydrophobicContact CD2-CG2 4.1Å; Y147-I183 CarbonylContact C-O 3.53Å; Y147-I183 VanDerWaalsContact CA-O 3.22Å; Y147-I183 WeakPolarHBondContact CA-O 3.29Å; Y147-N184 VanDerWaalsContact CB-OD1 3.24Å; Y147-N184 WeakPolarHBondContact CB-OD1 3.09Å
148	K	95	Very high	93.1	Very high	50 Å²	50	83 Å²	83	22%	0.217	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	116.9	173.2	-175.3	163.9	-176.5	168.4	0	109.7	D135 E138 F139 F150 I182 I183	D135-K148 PolarHBondContact O-NZ 2.89Å; E138-K148 IonicContact OE2-NZ 2.67Å; E138-K148 PolarHBondContact OE2-NZ 3.07Å; F139-K148 HydrophobicContact CB-CD 3.56Å; F139-K148 HydrophobicContact CD1-CB 3.94Å; F139-K148 HydrophobicContact CD1-CD 4.4Å; F139-K148 HydrophobicContact CD2-CB 3.69Å; F139-K148 HydrophobicContact CD2-CD 3.98Å; F139-K148 HydrophobicContact CD2-CG 4.44Å; F139-K148 HydrophobicContact CE1-CB 3.98Å; F139-K148 HydrophobicContact CE2-CB 3.75Å; F139-K148 HydrophobicContact CG-CB 3.79Å; F139-K148 HydrophobicContact CG-CD 3.72Å; F139-K148 HydrophobicContact CG-CG 4.42Å; F139-K148 HydrophobicContact CZ-CB 3.9Å; K148-F150 HydrophobicContact CG-CE2 4.45Å; K148-I182 WeakPolarHBondContact O-CA 3.41Å; K148-I183 HydrophobicContact CB-CD1 4.46Å; K148-I183 HydrophobicContact CB-CG1 3.97Å; K148-I183 PolarHBondContact N-O 2.92Å; K148-I183 PolarHBondContact O-N 3.44Å
149	K	95.1	Very high	93.1	Very high	106 Å²	106	80.4 Å²	80.4	46%	0.461	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	118	173.7	-178.8	164.5	-179.4	168	0	109.4	D175 A180 I182	K149-D175 IonicContact NZ-OD1 2.67Å; K149-D175 PolarHBondContact NZ-OD1 3.44Å; K149-D175 IonicContact NZ-OD2 2.96Å; K149-D175 PolarHBondContact NZ-OD2 2.87Å; K149-A180 HydrophobicContact CG-CB 4.33Å; K149-I182 HydrophobicContact CB-CG1 4.05Å; K149-I182 HydrophobicContact CD-CD1 4.3Å; K149-I182 HydrophobicContact CD-CG1 4.15Å; K149-I182 HydrophobicContact CG-CG1 3.91Å
150	F	95.8	Very high	93.2	Very high	7 Å²	7	80.2 Å²	80.2	3%	0.031	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-76.4	152.5	173.6	-76.7	-95.4	0	0	0	111.2	L132 D135 I136 K148 M153 L161 A180 V181 I183	L132-F150 HydrophobicContact CD2-CD1 4.33Å; L132-F150 HydrophobicContact CD2-CE1 3.85Å; L132-F150 HydrophobicContact CD2-CZ 4.46Å; D135-F150 HydrophobicContact CB-CE1 3.95Å; D135-F150 HydrophobicContact CB-CZ 4.27Å; I136-F150 HydrophobicContact CG1-CZ 4.12Å; K148-F150 HydrophobicContact CG-CE2 4.45Å; F150-M153 HydrophobicContact CB-CE 4.12Å; F150-L161 HydrophobicContact CB-CD2 3.96Å; F150-L161 HydrophobicContact CD1-CD2 4.18Å; F150-L161 HydrophobicContact CD2-CD1 4.14Å; F150-L161 HydrophobicContact CD2-CD2 3.34Å; F150-L161 HydrophobicContact CD2-CG 4.39Å; F150-L161 HydrophobicContact CE1-CD1 4.44Å; F150-L161 HydrophobicContact CE2-CD1 3.69Å; F150-L161 HydrophobicContact CE2-CD2 3.81Å; F150-L161 HydrophobicContact CE2-CG 4.42Å; F150-L161 HydrophobicContact CG-CD2 3.55Å; F150-L161 HydrophobicContact CZ-CD1 3.86Å; F150-L161 HydrophobicContact CZ-CD2 4.4Å; F150-A180 WeakPolarHBondContact O-CB 3.06Å; F150-V181 PolarHBondContact N-O 2.95Å; F150-I183 HydrophobicContact CE2-CD1 3.7Å; F150-I183 HydrophobicContact CE2-CG1 3.86Å; F150-I183 HydrophobicContact CE2-CG2 4.23Å; F150-I183 HydrophobicContact CZ-CD1 4.29Å
151	P	94.4	Very high	93.3	Very high	100 Å²	100	79 Å²	79	65%	0.649	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-55.7	166.7	170.9	-25.1	35.2	0	0	0	112.9	M153	P151-M153 WeakPolarHBondContact O-CG 3.29Å; P151-M153 PolarHBondContact O-N 2.78Å
152	Q	92.7	Very high	93.5	Very high	141 Å²	141	75.3 Å²	75.3	66%	0.659	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-58	128.7	173.6	176.3	169.7	-3	0	0	110.5	K179	Q152-K179 WeakPolarHBondContact CA-O 3.2Å; Q152-K179 HydrophobicContact CG-CB 4.01Å
153	M	91.9	Very high	93.7	Very high	30 Å²	30	74.2 Å²	74.2	15%	0.148	37%	0.37	C	S	.	.			trans	-128.6	158.3	-175.9	-78.8	-161.3	-61.3	0	0	111.5	M128 F150 P151 H157 R158 L161 K179	M128-M153 HydrophobicContact CE-SD 3.61Å; F150-M153 HydrophobicContact CB-CE 4.12Å; P151-M153 WeakPolarHBondContact O-CG 3.29Å; P151-M153 PolarHBondContact O-N 2.78Å; M153-H157 HydrophobicContact CB-CB 3.98Å; M153-H157 HydrophobicContact CG-CB 4.29Å; M153-H157 HydrophobicContact SD-CB 3.84Å; M153-R158 HydrophobicContact CB-CG 3.82Å; M153-L161 HydrophobicContact CE-CB 3.9Å; M153-L161 HydrophobicContact CE-CD2 3.4Å; M153-L161 VanDerWaalsContact CE-CD2 3.4Å; M153-L161 HydrophobicContact CE-CG 4.3Å; M153-K179 PolarHBondContact N-O 2.63Å
154	T	94.3	Very high	94	Very high	77 Å²	77	68 Å²	68	47%	0.472	34%	0.336	S	S	.	.			trans	-63.3	157.2	172.3	64.9	0	0	0	0	110.4	Y156 H157 R158	T154-Y156 PolarHBondContact O-N 2.88Å; T154-H157 PolarHBondContact O-N 3.35Å; T154-H157 VanDerWaalsContact O-N 3.16Å; T154-H157 WeakPolarHBondContact OG1-CB 3.42Å; T154-H157 PolarHBondContact OG1-N 2.89Å; T154-H157 VanDerWaalsContact OG1-N 3.12Å; T154-H157 PolarHBondContact OG1-ND1 2.92Å; T154-R158 VanDerWaalsContact O-CG 3.29Å; T154-R158 WeakPolarHBondContact O-CG 3.47Å; T154-R158 PolarHBondContact O-N 2.73Å
155	S	93.8	Very high	94.2	Very high	97 Å²	97	60.9 Å²	60.9	68%	0.678	30%	0.298	S	S	*	.	H	α-helix	trans	-51	-41.6	175.3	48.7	0	0	0	0	112.4	M159	S155-M159 PolarHBondContact O-N 2.74Å
156	Y	95.2	Very high	94.3	Very high	87 Å²	87	58.2 Å²	58.2	34%	0.341	29%	0.287	S	S	.	.	H	α-helix	trans	-67.9	-46.1	177.1	-175.4	-104.6	0	0	0	113.5	D125 T154 R158 M159 L160	D125-Y156 WeakPolarHBondContact OD1-CE1 3.41Å; D125-Y156 PolarHBondContact OD2-OH 2.81Å; T154-Y156 PolarHBondContact O-N 2.88Å; Y156-R158 VanDerWaalsContact C-N 3.3Å; Y156-R158 PolarHBondContact O-N 2.83Å; Y156-M159 HydrophobicContact CD2-CE 3.77Å; Y156-M159 HydrophobicContact CD2-SD 4.46Å; Y156-M159 HydrophobicContact CE2-CE 3.46Å; Y156-M159 VanDerWaalsContact CE2-CE 3.46Å; Y156-M159 HydrophobicContact CE2-SD 4.5Å; Y156-M159 WeakPolarHBondContact O-CB 3.49Å; Y156-M159 PolarHBondContact O-N 3.45Å; Y156-M159 VanDerWaalsContact O-N 3.14Å; Y156-L160 HydrophobicContact CD1-CD1 4.22Å; Y156-L160 HydrophobicContact CD1-CG 4.47Å; Y156-L160 HydrophobicContact CE1-CD1 3.65Å; Y156-L160 HydrophobicContact CE1-CD2 4.44Å; Y156-L160 HydrophobicContact CE1-CG 4.02Å; Y156-L160 PolarHBondContact O-N 3.46Å
157	H	94.6	Very high	94.3	Very high	62 Å²	62	52.6 Å²	52.6	29%	0.287	26%	0.261	S	S	.	.	H	α-helix	trans	-65.2	-34.1	176.3	-67.3	168.5	0	0	0	112.3	M128 M153 T154 L160 L161	M128-H157 HydrophobicContact CE-CB 4.22Å; M153-H157 HydrophobicContact CB-CB 3.98Å; M153-H157 HydrophobicContact CG-CB 4.29Å; M153-H157 HydrophobicContact SD-CB 3.84Å; T154-H157 PolarHBondContact O-N 3.35Å; T154-H157 VanDerWaalsContact O-N 3.16Å; T154-H157 WeakPolarHBondContact OG1-CB 3.42Å; T154-H157 PolarHBondContact OG1-N 2.89Å; T154-H157 VanDerWaalsContact OG1-N 3.12Å; T154-H157 PolarHBondContact OG1-ND1 2.92Å; H157-L160 PolarHBondContact O-N 3.25Å; H157-L161 PolarHBondContact O-N 2.84Å
158	R	94.8	Very high	94.3	Very high	47 Å²	47	45.6 Å²	45.6	18%	0.177	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-44	171	-67.2	168.3	64.6	-84.6	0	111.2	M153 T154 Y156 L161 H162 V174 G178 V181	M153-R158 HydrophobicContact CB-CG 3.82Å; T154-R158 VanDerWaalsContact O-CG 3.29Å; T154-R158 WeakPolarHBondContact O-CG 3.47Å; T154-R158 PolarHBondContact O-N 2.73Å; Y156-R158 VanDerWaalsContact C-N 3.3Å; Y156-R158 PolarHBondContact O-N 2.83Å; R158-L161 PolarHBondContact O-N 3.29Å; R158-H162 PolarHBondContact O-CD2 3.48Å; R158-H162 VanDerWaalsContact O-CG 3.32Å; R158-H162 PolarHBondContact O-N 3.5Å; R158-V174 VanDerWaalsContact NH2-CG2 3.26Å; R158-G178 PolarHBondContact NE-O 2.97Å; R158-V181 HydrophobicContact CB-CG2 3.9Å; R158-V181 HydrophobicContact CG-CG2 3.8Å
159	M	94.4	Very high	94.1	Very high	59 Å²	59	43.9 Å²	43.9	29%	0.291	23%	0.23	S	C	.	.	H	α-helix	trans	-60	-44.6	174.4	-179.3	-145.6	68.4	0	0	111.9	F114 S155 Y156 H162 R163	F114-M159 HydrophobicContact CZ-CE 3.86Å; S155-M159 PolarHBondContact O-N 2.74Å; Y156-M159 HydrophobicContact CD2-CE 3.77Å; Y156-M159 HydrophobicContact CD2-SD 4.46Å; Y156-M159 HydrophobicContact CE2-CE 3.46Å; Y156-M159 VanDerWaalsContact CE2-CE 3.46Å; Y156-M159 HydrophobicContact CE2-SD 4.5Å; Y156-M159 WeakPolarHBondContact O-CB 3.49Å; Y156-M159 PolarHBondContact O-N 3.45Å; Y156-M159 VanDerWaalsContact O-N 3.14Å; M159-H162 PolarHBondContact O-N 2.97Å; M159-R163 WeakPolarHBondContact O-CG 3.27Å; M159-R163 PolarHBondContact O-N 3.29Å; M159-R163 VanDerWaalsContact O-N 3.11Å
160	L	95.3	Very high	94	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.2	-46.6	174	-68.7	-178.7	0	0	0	111.3	F114 T118 D125 M128 L129 L132 Y156 H157 H162 R163 V164	F114-L160 HydrophobicContact CE1-CD2 3.93Å; F114-L160 HydrophobicContact CZ-CD2 4.1Å; T118-L160 HydrophobicContact CG2-CD2 4.3Å; D125-L160 HydrophobicContact CB-CD1 4.26Å; M128-L160 HydrophobicContact CG-CD1 4.44Å; L129-L160 HydrophobicContact CD2-CB 4.28Å; L129-L160 HydrophobicContact CD2-CD2 4.31Å; L132-L160 HydrophobicContact CD1-CB 4.38Å; Y156-L160 HydrophobicContact CD1-CD1 4.22Å; Y156-L160 HydrophobicContact CD1-CG 4.47Å; Y156-L160 HydrophobicContact CE1-CD1 3.65Å; Y156-L160 HydrophobicContact CE1-CD2 4.44Å; Y156-L160 HydrophobicContact CE1-CG 4.02Å; Y156-L160 PolarHBondContact O-N 3.46Å; H157-L160 PolarHBondContact O-N 3.25Å; L160-H162 PolarHBondContact O-N 3.04Å; L160-R163 PolarHBondContact O-N 3.32Å; L160-V164 WeakPolarHBondContact O-CG2 3.33Å; L160-V164 PolarHBondContact O-N 3.11Å
161	L	95.7	Very high	93.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.3	-42.1	177.1	172.5	61.7	0	0	0	112.9	L132 I136 F150 M153 H157 R158 R163 V164 A165 V181 I183	L132-L161 HydrophobicContact CD1-CB 4.11Å; L132-L161 HydrophobicContact CD2-CD1 4.19Å; I136-L161 HydrophobicContact CD1-CD1 3.91Å; F150-L161 HydrophobicContact CB-CD2 3.96Å; F150-L161 HydrophobicContact CD1-CD2 4.18Å; F150-L161 HydrophobicContact CD2-CD1 4.14Å; F150-L161 HydrophobicContact CD2-CD2 3.34Å; F150-L161 HydrophobicContact CD2-CG 4.39Å; F150-L161 HydrophobicContact CE1-CD1 4.44Å; F150-L161 HydrophobicContact CE2-CD1 3.69Å; F150-L161 HydrophobicContact CE2-CD2 3.81Å; F150-L161 HydrophobicContact CE2-CG 4.42Å; F150-L161 HydrophobicContact CG-CD2 3.55Å; F150-L161 HydrophobicContact CZ-CD1 3.86Å; F150-L161 HydrophobicContact CZ-CD2 4.4Å; M153-L161 HydrophobicContact CE-CB 3.9Å; M153-L161 HydrophobicContact CE-CD2 3.4Å; M153-L161 VanDerWaalsContact CE-CD2 3.4Å; M153-L161 HydrophobicContact CE-CG 4.3Å; H157-L161 PolarHBondContact O-N 2.84Å; R158-L161 PolarHBondContact O-N 3.29Å; L161-R163 VanDerWaalsContact C-N 3.3Å; L161-R163 PolarHBondContact O-N 3.4Å; L161-V164 PolarHBondContact O-N 2.9Å; L161-A165 VanDerWaalsContact O-CB 3.31Å; L161-A165 WeakPolarHBondContact O-CB 3.28Å; L161-A165 PolarHBondContact O-N 3.13Å; L161-V181 HydrophobicContact CD2-CB 3.7Å; L161-V181 HydrophobicContact CD2-CG1 3.59Å; L161-V181 HydrophobicContact CG-CG1 4.09Å; L161-I183 HydrophobicContact CD1-CG2 4.26Å
162	H	94.9	Very high	93.9	Very high	35 Å²	35	41 Å²	41	16%	0.162	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-42.9	176.1	-69.9	-54.8	0	0	0	111.6	R158 M159 L160 A165 A166 H172 V181	R158-H162 PolarHBondContact O-CD2 3.48Å; R158-H162 VanDerWaalsContact O-CG 3.32Å; R158-H162 PolarHBondContact O-N 3.5Å; M159-H162 PolarHBondContact O-N 2.97Å; L160-H162 PolarHBondContact O-N 3.04Å; H162-A165 PolarHBondContact O-N 3.11Å; H162-A166 WeakPolarHBondContact O-CB 3.29Å; H162-A166 PolarHBondContact O-N 3.09Å; H162-H172 AromaticContact CG-CD2 3.78Å; H162-H172 AromaticContact ND1-CD2 3.11Å; H162-H172 PolarHBondContact ND1-CD2 2.89Å; H162-H172 AromaticContact ND1-CG 3.59Å; H162-V181 WeakPolarHBondContact NE2-CG2 3.4Å
163	R	94.4	Very high	93.9	Very high	28 Å²	28	38 Å²	38	11%	0.106	20%	0.201	C	C	.	.	H	α-helix	trans	-65.1	-45	175	-69.2	-179.4	179.8	-69.7	-14.6	112.3	D105 I109 V111 M159 L160 L161 A166 Y167	D105-R163 IonicContact OD2-CZ 2.7Å; D105-R163 VanDerWaalsContact OD2-CZ 3.31Å; D105-R163 IonicContact OD2-NH1 2.78Å; D105-R163 PolarHBondContact OD2-NH1 3.34Å; D105-R163 IonicContact OD2-NH2 3.19Å; D105-R163 PolarHBondContact OD2-NH2 2.82Å; I109-R163 VanDerWaalsContact CD1-NH2 3.25Å; V111-R163 HydrophobicContact CG1-CB 4.19Å; V111-R163 WeakPolarHBondContact CG1-O 3.32Å; M159-R163 WeakPolarHBondContact O-CG 3.27Å; M159-R163 PolarHBondContact O-N 3.29Å; M159-R163 VanDerWaalsContact O-N 3.11Å; L160-R163 PolarHBondContact O-N 3.32Å; L161-R163 VanDerWaalsContact C-N 3.3Å; L161-R163 PolarHBondContact O-N 3.4Å; R163-A166 PolarHBondContact O-N 2.93Å; R163-Y167 PolarHBondContact O-N 3.17Å
164	V	94.9	Very high	93.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.8	-43.7	176.3	179.4	0	0	0	0	110.8	L115 L129 L132 I136 L160 L161 A166 Y167 F168 F196	L115-V164 HydrophobicContact CD2-CG2 3.78Å; L129-V164 HydrophobicContact CD2-CG2 3.54Å; L132-V164 HydrophobicContact CD1-CG2 4.49Å; I136-V164 HydrophobicContact CD1-CB 4.29Å; I136-V164 HydrophobicContact CD1-CG1 3.53Å; L160-V164 WeakPolarHBondContact O-CG2 3.33Å; L160-V164 PolarHBondContact O-N 3.11Å; L161-V164 PolarHBondContact O-N 2.9Å; V164-A166 VanDerWaalsContact C-N 3.33Å; V164-A166 PolarHBondContact O-N 3.3Å; V164-Y167 WeakPolarHBondContact O-CB 3.32Å; V164-Y167 PolarHBondContact O-N 3.32Å; V164-Y167 VanDerWaalsContact O-N 3.08Å; V164-F168 HydrophobicContact CG1-CD2 3.84Å; V164-F168 HydrophobicContact CG1-CE2 3.83Å; V164-F168 WeakPolarHBondContact O-CD2 3.44Å; V164-F168 PolarHBondContact O-N 3.44Å; V164-F168 VanDerWaalsContact O-N 3.1Å; V164-F196 HydrophobicContact CG1-CE2 3.89Å; V164-F196 HydrophobicContact CG1-CZ 3.97Å; V164-F196 HydrophobicContact CG2-CE2 3.87Å; V164-F196 HydrophobicContact CG2-CZ 4.04Å
165	A	94.6	Very high	93.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.2	-44.7	176.3	0	0	0	0	0	111.8	L161 H162 Y167 F168 G169 M170 H172 I183	L161-A165 VanDerWaalsContact O-CB 3.31Å; L161-A165 WeakPolarHBondContact O-CB 3.28Å; L161-A165 PolarHBondContact O-N 3.13Å; H162-A165 PolarHBondContact O-N 3.11Å; A165-Y167 VanDerWaalsContact C-N 3.35Å; A165-Y167 PolarHBondContact O-N 3.2Å; A165-F168 CarbonylContact O-C 3.41Å; A165-F168 PolarHBondContact O-N 3.39Å; A165-G169 PolarHBondContact O-N 3.1Å; A165-M170 HydrophobicContact CB-CB 4.35Å; A165-M170 WeakPolarHBondContact O-CB 3.42Å; A165-M170 PolarHBondContact O-N 3.42Å; A165-H172 HydrophobicContact CB-CB 3.84Å; A165-I183 HydrophobicContact CB-CG2 3.82Å
166	A	93.1	Very high	93.6	Very high	23 Å²	23	41.8 Å²	41.8	19%	0.19	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-39.8	173.3	0	0	0	0	0	112.9	H162 R163 V164 F168 G169	H162-A166 WeakPolarHBondContact O-CB 3.29Å; H162-A166 PolarHBondContact O-N 3.09Å; R163-A166 PolarHBondContact O-N 2.93Å; V164-A166 VanDerWaalsContact C-N 3.33Å; V164-A166 PolarHBondContact O-N 3.3Å; A166-F168 VanDerWaalsContact C-N 3.28Å; A166-F168 PolarHBondContact O-N 3.18Å; A166-G169 PolarHBondContact O-N 3.24Å
167	Y	92.2	Very high	93.4	Very high	5 Å²	5	41.2 Å²	41.2	2%	0.02	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-34.2	176.3	-173.1	-110	0	0	0	113.2	Y103 V111 H112 L115 R163 V164 A165 G169 R190 P192 F196	Y103-Y167 AromaticContact CD1-CD2 3.45Å; Y103-Y167 HydrophobicContact CD1-CD2 3.45Å; Y103-Y167 VanDerWaalsContact CD1-CD2 3.45Å; Y103-Y167 AromaticContact CD1-CE2 3.32Å; Y103-Y167 HydrophobicContact CD1-CE2 3.32Å; Y103-Y167 AromaticContact CE1-CD2 3.81Å; Y103-Y167 HydrophobicContact CE1-CD2 3.81Å; Y103-Y167 AromaticContact CE1-CE2 3.37Å; Y103-Y167 HydrophobicContact CE1-CE2 3.37Å; Y103-Y167 AromaticContact CE1-CZ 3.99Å; Y103-Y167 HydrophobicContact CG-CE2 4.38Å; V111-Y167 HydrophobicContact CG1-CD2 4.37Å; H112-Y167 HydrophobicContact CB-CD2 4.4Å; H112-Y167 HydrophobicContact CB-CE2 3.89Å; H112-Y167 AromaticContact ND1-CE2 3.53Å; H112-Y167 AromaticContact ND1-CZ 3.79Å; H112-Y167 PolarHBondContact ND1-OH 2.88Å; L115-Y167 HydrophobicContact CD1-CD1 4.11Å; L115-Y167 HydrophobicContact CD1-CD2 3.96Å; L115-Y167 HydrophobicContact CD1-CG 3.63Å; R163-Y167 PolarHBondContact O-N 3.17Å; V164-Y167 WeakPolarHBondContact O-CB 3.32Å; V164-Y167 PolarHBondContact O-N 3.32Å; V164-Y167 VanDerWaalsContact O-N 3.08Å; A165-Y167 VanDerWaalsContact C-N 3.35Å; A165-Y167 PolarHBondContact O-N 3.2Å; Y167-G169 VanDerWaalsContact C-N 3.32Å; Y167-R190 PolarHBondContact O-NH2 3.19Å; Y167-P192 HydrophobicContact CD1-CB 4.28Å; Y167-P192 HydrophobicContact CD1-CG 3.67Å; Y167-P192 HydrophobicContact CE1-CB 3.48Å; Y167-P192 VanDerWaalsContact CE1-CB 3.48Å; Y167-P192 HydrophobicContact CE1-CG 3.39Å; Y167-F196 AromaticContact CD1-CE1 3.62Å; Y167-F196 HydrophobicContact CD1-CE1 3.62Å; Y167-F196 AromaticContact CD1-CZ 3.88Å; Y167-F196 HydrophobicContact CD1-CZ 3.88Å; Y167-F196 HydrophobicContact CE1-CD1 4.44Å; Y167-F196 AromaticContact CE1-CE1 3.57Å; Y167-F196 HydrophobicContact CE1-CE1 3.57Å; Y167-F196 HydrophobicContact CE1-CZ 4.3Å; Y167-F196 HydrophobicContact CG-CE1 4.49Å
168	F	93.1	Very high	93.1	Very high	3 Å²	3	40 Å²	40	1%	0.013	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	5.3	173.6	-78.3	-96.6	0	0	0	113.3	I136 L137 I140 V164 A165 A166 M170 T189 R190 P192 F196	I136-F168 HydrophobicContact CG2-CB 4.32Å; I136-F168 HydrophobicContact CG2-CD1 3.91Å; I136-F168 HydrophobicContact CG2-CD2 4.11Å; I136-F168 HydrophobicContact CG2-CE1 4.23Å; I136-F168 HydrophobicContact CG2-CE2 4.41Å; I136-F168 HydrophobicContact CG2-CG 3.85Å; I136-F168 HydrophobicContact CG2-CZ 4.47Å; L137-F168 HydrophobicContact CD2-CE1 3.77Å; L137-F168 HydrophobicContact CD2-CZ 4.36Å; L137-F168 HydrophobicContact CG-CE1 4.1Å; L137-F168 HydrophobicContact CG-CZ 4.29Å; I140-F168 HydrophobicContact CD1-CD1 3.57Å; I140-F168 HydrophobicContact CD1-CE1 4.18Å; I140-F168 HydrophobicContact CD1-CG 4.41Å; V164-F168 HydrophobicContact CG1-CD2 3.84Å; V164-F168 HydrophobicContact CG1-CE2 3.83Å; V164-F168 WeakPolarHBondContact O-CD2 3.44Å; V164-F168 PolarHBondContact O-N 3.44Å; V164-F168 VanDerWaalsContact O-N 3.1Å; A165-F168 CarbonylContact O-C 3.41Å; A165-F168 PolarHBondContact O-N 3.39Å; A166-F168 VanDerWaalsContact C-N 3.28Å; A166-F168 PolarHBondContact O-N 3.18Å; F168-M170 VanDerWaalsContact C-N 3.28Å; F168-M170 HydrophobicContact CB-CG 3.78Å; F168-M170 HydrophobicContact CB-SD 4.13Å; F168-M170 PolarHBondContact O-N 2.94Å; F168-T189 WeakPolarHBondContact O-CA 3.25Å; F168-R190 WeakPolarHBondContact CD1-O 3.28Å; F168-R190 PolarHBondContact O-N 3.38Å; F168-P192 VanDerWaalsContact CD1-CD 3.48Å; F168-P192 HydrophobicContact CD1-CG 4.24Å; F168-P192 VanDerWaalsContact CE1-CD 3.44Å; F168-P192 HydrophobicContact CE1-CG 4.32Å; F168-P192 HydrophobicContact CG-CG 4.39Å; F168-F196 HydrophobicContact CE2-CZ 4.28Å
169	G	91.3	Very high	92.8	Very high	14 Å²	14	43.3 Å²	43.3	14%	0.144	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	21.1	-179.2	0	0	0	0	0	114.7	A165 A166 Y167 T186 N188	A165-G169 PolarHBondContact O-N 3.1Å; A166-G169 PolarHBondContact O-N 3.24Å; Y167-G169 VanDerWaalsContact C-N 3.32Å; G169-T186 PolarHBondContact O-OG1 2.85Å; G169-N188 WeakPolarHBondContact CA-O 3.39Å; G169-N188 CarbonylContact O-C 3.59Å
170	M	93.1	Very high	92.8	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.015	22%	0.222	C	C	.	.			trans	-96.7	138.3	-174.5	-49.9	-167.1	77.1	0	0	112.3	I136 F139 I140 A165 F168 H172 I183 K185 T189	I136-M170 HydrophobicContact CG2-SD 3.7Å; F139-M170 HydrophobicContact CD1-CE 3.73Å; F139-M170 HydrophobicContact CE1-CE 3.46Å; F139-M170 VanDerWaalsContact CE1-CE 3.46Å; I140-M170 HydrophobicContact CD1-SD 4.09Å; I140-M170 HydrophobicContact CG1-CE 4.15Å; I140-M170 HydrophobicContact CG1-SD 4.11Å; A165-M170 HydrophobicContact CB-CB 4.35Å; A165-M170 WeakPolarHBondContact O-CB 3.42Å; A165-M170 PolarHBondContact O-N 3.42Å; F168-M170 VanDerWaalsContact C-N 3.28Å; F168-M170 HydrophobicContact CB-CG 3.78Å; F168-M170 HydrophobicContact CB-SD 4.13Å; F168-M170 PolarHBondContact O-N 2.94Å; M170-H172 PolarHBondContact O-ND1 2.91Å; M170-I183 HydrophobicContact CE-CD1 4.26Å; M170-I183 HydrophobicContact SD-CD1 4.08Å; M170-K185 HydrophobicContact CE-CG 4.07Å; M170-T189 HydrophobicContact CE-CG2 3.8Å; M170-T189 HydrophobicContact CG-CG2 3.93Å; M170-T189 HydrophobicContact SD-CG2 4.16Å
171	D	92.9	Very high	92.9	Very high	90 Å²	90	40.8 Å²	40.8	48%	0.481	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	136.1	170.8	-85.8	1.2	0	0	0	110.1	I183 N184 T186	D171-I183 CarbonylContact O-C 3.46Å; D171-I183 VanDerWaalsContact O-CA 3.28Å; D171-I183 WeakPolarHBondContact O-CA 3.3Å; D171-N184 HydrophobicContact CB-CB 4.17Å; D171-N184 PolarHBondContact O-N 3.42Å; D171-T186 HydrophobicContact CB-CG2 3.67Å; D171-T186 VanDerWaalsContact CG-CG2 3.45Å
172	H	93.9	Very high	92.8	Very high	61 Å²	61	42.3 Å²	42.3	28%	0.282	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	118.4	-179.2	51.9	-93.7	0	0	0	110.9	H162 A165 M170 I182 I183	H162-H172 AromaticContact CG-CD2 3.78Å; H162-H172 AromaticContact ND1-CD2 3.11Å; H162-H172 PolarHBondContact ND1-CD2 2.89Å; H162-H172 AromaticContact ND1-CG 3.59Å; A165-H172 HydrophobicContact CB-CB 3.84Å; M170-H172 PolarHBondContact O-ND1 2.91Å; H172-I182 WeakPolarHBondContact CA-O 3.15Å; H172-I183 HydrophobicContact CB-CG2 4.26Å
173	N	92.9	Very high	92.9	Very high	78 Å²	78	40.6 Å²	40.6	42%	0.417	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	149.5	-178	-70.3	-79.1	0	0	0	110.1	V181 I182 N184	N173-V181 WeakPolarHBondContact O-CA 3.36Å; N173-I182 PolarHBondContact N-O 3.48Å; N173-I182 PolarHBondContact O-N 2.95Å; N173-N184 PolarHBondContact ND2-ND2 2.84Å
174	V	92.5	Very high	92.9	Very high	70 Å²	70	41.5 Å²	41.5	42%	0.424	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	135	170.7	-176.5	0	0	0	0	108	R158	R158-V174 VanDerWaalsContact NH2-CG2 3.26Å
175	D	92.3	Very high	92.9	Very high	20 Å²	20	43.2 Å²	43.2	11%	0.107	24%	0.236	C	C	.	.			trans	-57.1	150.6	174.2	-175.7	53.1	0	0	0	111.1	K149 T177 G178 A180 I182	K149-D175 IonicContact NZ-OD1 2.67Å; K149-D175 PolarHBondContact NZ-OD1 3.44Å; K149-D175 IonicContact NZ-OD2 2.96Å; K149-D175 PolarHBondContact NZ-OD2 2.87Å; D175-T177 PolarHBondContact O-N 2.9Å; D175-T177 WeakPolarHBondContact OD2-CG2 3.38Å; D175-T177 PolarHBondContact OD2-OG1 3.4Å; D175-G178 PolarHBondContact O-N 3.44Å; D175-A180 HydrophobicContact CB-CB 3.83Å; D175-A180 WeakPolarHBondContact CB-O 3.43Å; D175-A180 PolarHBondContact N-O 3.05Å; D175-I182 HydrophobicContact CB-CD1 4.28Å
176	Q	90.4	Very high	92.6	Very high	192 Å²	192	45 Å²	45	90%	0.897	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-22.4	178.8	66.3	-176.9	22.5	0	0	114.2
177	T	90.1	Very high	92.3	Very high	75 Å²	75	48 Å²	48	46%	0.46	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-7.3	177.5	68	0	0	0	0	114.8	D175 K179	D175-T177 PolarHBondContact O-N 2.9Å; D175-T177 WeakPolarHBondContact OD2-CG2 3.38Å; D175-T177 PolarHBondContact OD2-OG1 3.4Å; T177-K179 PolarHBondContact O-N 2.89Å; T177-K179 VanDerWaalsContact O-N 3.12Å; T177-K179 PolarHBondContact OG1-N 2.81Å
178	G	88.4	Confident	92.1	Very high	38 Å²	38	53.5 Å²	53.5	39%	0.392	31%	0.31	S	S	.	.	S	Bend	trans	74.8	-19.4	-170.2	0	0	0	0	0	115.2	R158 D175	R158-G178 PolarHBondContact NE-O 2.97Å; D175-G178 PolarHBondContact O-N 3.44Å
179	K	89.3	Confident	91.9	Very high	116 Å²	116	55 Å²	55	50%	0.504	32%	0.32	S	S	.	.	S	Bend	trans	-82.3	-27.7	-164.5	-68.2	173	-176.6	-180	0	114.6	Q152 M153 T177	Q152-K179 WeakPolarHBondContact CA-O 3.2Å; Q152-K179 HydrophobicContact CG-CB 4.01Å; M153-K179 PolarHBondContact N-O 2.63Å; T177-K179 PolarHBondContact O-N 2.89Å; T177-K179 VanDerWaalsContact O-N 3.12Å; T177-K179 PolarHBondContact OG1-N 2.81Å
180	A	93.5	Very high	91.8	Very high	5 Å²	5	56.6 Å²	56.6	4%	0.041	32%	0.321	C	S	.	.			trans	-118.5	164.4	-178.5	0	0	0	0	0	111.2	K149 F150 D175	K149-A180 HydrophobicContact CG-CB 4.33Å; F150-A180 WeakPolarHBondContact O-CB 3.06Å; D175-A180 HydrophobicContact CB-CB 3.83Å; D175-A180 WeakPolarHBondContact CB-O 3.43Å; D175-A180 PolarHBondContact N-O 3.05Å
181	V	96.4	Very high	91.5	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	138.3	173	172.3	0	0	0	0	107.8	F150 R158 L161 H162 N173	F150-V181 PolarHBondContact N-O 2.95Å; R158-V181 HydrophobicContact CB-CG2 3.9Å; R158-V181 HydrophobicContact CG-CG2 3.8Å; L161-V181 HydrophobicContact CD2-CB 3.7Å; L161-V181 HydrophobicContact CD2-CG1 3.59Å; L161-V181 HydrophobicContact CG-CG1 4.09Å; H162-V181 WeakPolarHBondContact NE2-CG2 3.4Å; N173-V181 WeakPolarHBondContact O-CA 3.36Å
182	I	95.6	Very high	91.1	Very high	32 Å²	32	57 Å²	57	16%	0.164	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.7	-179.1	-56	169.4	0	0	0	106.3	Y147 K148 K149 H172 N173 D175	Y147-I182 HydrophobicContact CD2-CG2 4.1Å; K148-I182 WeakPolarHBondContact O-CA 3.41Å; K149-I182 HydrophobicContact CB-CG1 4.05Å; K149-I182 HydrophobicContact CD-CD1 4.3Å; K149-I182 HydrophobicContact CD-CG1 4.15Å; K149-I182 HydrophobicContact CG-CG1 3.91Å; H172-I182 WeakPolarHBondContact CA-O 3.15Å; N173-I182 PolarHBondContact N-O 3.48Å; N173-I182 PolarHBondContact O-N 2.95Å; D175-I182 HydrophobicContact CB-CD1 4.28Å
183	I	96	Very high	90	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	143.4	170.8	64.1	170.7	0	0	0	109.7	I136 F139 Y147 K148 F150 L161 A165 M170 D171 H172	I136-I183 HydrophobicContact CD1-CD1 4.42Å; I136-I183 HydrophobicContact CG1-CD1 3.81Å; F139-I183 HydrophobicContact CD1-CD1 3.5Å; F139-I183 VanDerWaalsContact CD1-CD1 3.5Å; F139-I183 HydrophobicContact CD1-CG1 3.96Å; F139-I183 HydrophobicContact CE1-CD1 3.78Å; F139-I183 HydrophobicContact CE1-CG1 3.74Å; Y147-I183 CarbonylContact C-O 3.53Å; Y147-I183 VanDerWaalsContact CA-O 3.22Å; Y147-I183 WeakPolarHBondContact CA-O 3.29Å; K148-I183 HydrophobicContact CB-CD1 4.46Å; K148-I183 HydrophobicContact CB-CG1 3.97Å; K148-I183 PolarHBondContact N-O 2.92Å; K148-I183 PolarHBondContact O-N 3.44Å; F150-I183 HydrophobicContact CE2-CD1 3.7Å; F150-I183 HydrophobicContact CE2-CG1 3.86Å; F150-I183 HydrophobicContact CE2-CG2 4.23Å; F150-I183 HydrophobicContact CZ-CD1 4.29Å; L161-I183 HydrophobicContact CD1-CG2 4.26Å; A165-I183 HydrophobicContact CB-CG2 3.82Å; M170-I183 HydrophobicContact CE-CD1 4.26Å; M170-I183 HydrophobicContact SD-CD1 4.08Å; D171-I183 CarbonylContact O-C 3.46Å; D171-I183 VanDerWaalsContact O-CA 3.28Å; D171-I183 WeakPolarHBondContact O-CA 3.3Å; H172-I183 HydrophobicContact CB-CG2 4.26Å
184	N	94.6	Very high	89.2	Confident	46 Å²	46	63.5 Å²	63.5	25%	0.246	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.8	178.5	-56	-30	0	0	0	109.5	Q146 Y147 D171 N173	Q146-N184 WeakPolarHBondContact O-CA 3.15Å; Y147-N184 VanDerWaalsContact CB-OD1 3.24Å; Y147-N184 WeakPolarHBondContact CB-OD1 3.09Å; D171-N184 HydrophobicContact CB-CB 4.17Å; D171-N184 PolarHBondContact O-N 3.42Å; N173-N184 PolarHBondContact ND2-ND2 2.84Å
185	K	94.4	Very high	88.8	Confident	37 Å²	37	64.6 Å²	64.6	16%	0.161	35%	0.348	C	S	.	.			trans	-72.9	140.8	166.1	-62.1	-173	-177.4	-173.2	0	109.3	F139 I140 D142 N145 Q146 M170	F139-K185 HydrophobicContact CE1-CG 3.84Å; F139-K185 HydrophobicContact CE2-CG 4.43Å; F139-K185 HydrophobicContact CZ-CD 4.3Å; F139-K185 HydrophobicContact CZ-CG 3.69Å; F139-K185 WeakPolarHBondContact O-CE 3.45Å; F139-K185 PolarHBondContact O-NZ 3.33Å; I140-K185 PolarHBondContact O-NZ 3.41Å; D142-K185 VanDerWaalsContact C-NZ 3.34Å; D142-K185 PolarHBondContact O-NZ 3.38Å; N145-K185 WeakPolarHBondContact O-CE 3.41Å; N145-K185 PolarHBondContact O-NZ 3.02Å; Q146-K185 PolarHBondContact O-N 3.23Å; M170-K185 HydrophobicContact CE-CG 4.07Å
186	T	89.8	Confident	88.4	Confident	36 Å²	36	63.8 Å²	63.8	22%	0.221	34%	0.343	C	S	.	.			trans	-136.5	164.3	-177.6	61.2	0	0	0	0	108.8	G169 D171 N188 T189	G169-T186 PolarHBondContact O-OG1 2.85Å; D171-T186 HydrophobicContact CB-CG2 3.67Å; D171-T186 VanDerWaalsContact CG-CG2 3.45Å; T186-N188 PolarHBondContact O-N 3.38Å; T186-N188 VanDerWaalsContact O-N 3.1Å; T186-N188 PolarHBondContact OG1-N 2.79Å; T186-T189 PolarHBondContact N-OG1 3.23Å; T186-T189 VanDerWaalsContact O-CB 3.27Å; T186-T189 WeakPolarHBondContact O-CB 3.02Å; T186-T189 PolarHBondContact O-N 2.78Å; T186-T189 PolarHBondContact O-OG1 2.8Å; T186-T189 PolarHBondContact OG1-N 2.89Å; T186-T189 PolarHBondContact OG1-OG1 3.15Å
187	G	86.3	Confident	87.9	Confident	87 Å²	87	56.7 Å²	56.7	90%	0.897	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.3	170.8	0	0	0	0	0	114.2
188	N	86.9	Confident	87.4	Confident	121 Å²	121	57 Å²	57	65%	0.647	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-2.6	177.5	-57.7	-24.7	0	0	0	112.9	G169 T186 R190	G169-N188 WeakPolarHBondContact CA-O 3.39Å; G169-N188 CarbonylContact O-C 3.59Å; T186-N188 PolarHBondContact O-N 3.38Å; T186-N188 VanDerWaalsContact O-N 3.1Å; T186-N188 PolarHBondContact OG1-N 2.79Å; N188-R190 PolarHBondContact O-N 3.32Å; N188-R190 VanDerWaalsContact O-N 3.09Å
189	T	90.1	Very high	86.7	Confident	34 Å²	34	56 Å²	56	21%	0.209	30%	0.296	C	S	.	.			trans	-65.9	111	-179.3	-65.7	0	0	0	0	109.7	I140 F168 M170 T186	I140-T189 HydrophobicContact CD1-CG2 3.96Å; I140-T189 HydrophobicContact CG1-CG2 3.82Å; I140-T189 HydrophobicContact CG2-CG2 4.45Å; F168-T189 WeakPolarHBondContact O-CA 3.25Å; M170-T189 HydrophobicContact CE-CG2 3.8Å; M170-T189 HydrophobicContact CG-CG2 3.93Å; M170-T189 HydrophobicContact SD-CG2 4.16Å; T186-T189 PolarHBondContact N-OG1 3.23Å; T186-T189 VanDerWaalsContact O-CB 3.27Å; T186-T189 WeakPolarHBondContact O-CB 3.02Å; T186-T189 PolarHBondContact O-N 2.78Å; T186-T189 PolarHBondContact O-OG1 2.8Å; T186-T189 PolarHBondContact OG1-N 2.89Å; T186-T189 PolarHBondContact OG1-OG1 3.15Å
190	R	87.9	Confident	86	Confident	47 Å²	47	51.6 Å²	51.6	18%	0.177	28%	0.278	C	S	.	.			trans	-121.6	152.5	-177	65.6	178.5	-174.2	-94	-6.6	111	E102 Y167 F168 N188 P192	E102-R190 PolarHBondContact O-NH2 2.76Å; E102-R190 VanDerWaalsContact OE1-CD 3.25Å; E102-R190 WeakPolarHBondContact OE1-CD 3.46Å; E102-R190 IonicContact OE1-CZ 2.67Å; E102-R190 IonicContact OE1-NE 3.07Å; E102-R190 PolarHBondContact OE1-NE 3.46Å; E102-R190 IonicContact OE1-NH1 3.46Å; E102-R190 PolarHBondContact OE1-NH1 3.45Å; Y167-R190 PolarHBondContact O-NH2 3.19Å; F168-R190 WeakPolarHBondContact CD1-O 3.28Å; F168-R190 PolarHBondContact O-N 3.38Å; N188-R190 PolarHBondContact O-N 3.32Å; N188-R190 VanDerWaalsContact O-N 3.09Å; R190-P192 WeakPolarHBondContact O-CD 3.33Å
191	I	88.7	Confident	84.3	Confident	93 Å²	93	56.8 Å²	56.8	48%	0.477	30%	0.299	S	S	.	.			trans	-92.7	112.1	166.2	-62.1	176.6	0	0	0	106.6	L137 I140	L137-I191 HydrophobicContact CD2-CD1 4.38Å; L137-I191 HydrophobicContact CD2-CG1 4.22Å; L137-I191 HydrophobicContact CD2-CG2 3.94Å; I140-I191 HydrophobicContact CD1-CG1 4.48Å; I140-I191 HydrophobicContact CG2-CD1 4.24Å; I140-I191 HydrophobicContact CG2-CG1 4.18Å
192	P	82.9	Confident	82.2	Confident	8 Å²	8	63.5 Å²	63.5	5%	0.052	34%	0.335	C	S	.	.			trans	-63.2	141.1	179	-23.2	36.3	0	0	0	111.1	Y167 F168 R190 Q194	Y167-P192 HydrophobicContact CD1-CB 4.28Å; Y167-P192 HydrophobicContact CD1-CG 3.67Å; Y167-P192 HydrophobicContact CE1-CB 3.48Å; Y167-P192 VanDerWaalsContact CE1-CB 3.48Å; Y167-P192 HydrophobicContact CE1-CG 3.39Å; F168-P192 VanDerWaalsContact CD1-CD 3.48Å; F168-P192 HydrophobicContact CD1-CG 4.24Å; F168-P192 VanDerWaalsContact CE1-CD 3.44Å; F168-P192 HydrophobicContact CE1-CG 4.32Å; F168-P192 HydrophobicContact CG-CG 4.39Å; R190-P192 WeakPolarHBondContact O-CD 3.33Å; P192-Q194 PolarHBondContact O-N 3.36Å
193	E	70.4	Confident	80.1	Confident	195 Å²	195	65.7 Å²	65.7	91%	0.911	35%	0.345	S	S	*	.	S	Bend	trans	-61.2	-30.4	-177.2	-62.4	-168.3	152.6	0	0	112.9
194	Q	77.1	Confident	78	Confident	82 Å²	82	73.7 Å²	73.7	38%	0.383	38%	0.375	S	S	.	.	S	Bend	trans	-107.1	120.7	-177	-157	-179.6	9.9	0	0	111.5	P192 H199	P192-Q194 PolarHBondContact O-N 3.36Å; Q194-H199 VanDerWaalsContact CD-NE2 3.28Å; Q194-H199 PolarHBondContact NE2-CE1 3.31Å; Q194-H199 PolarHBondContact NE2-NE2 3.39Å; Q194-H199 VanDerWaalsContact NE2-NE2 3.17Å; Q194-H199 PolarHBondContact OE1-CE1 2.84Å; Q194-H199 VanDerWaalsContact OE1-CE1 3.28Å; Q194-H199 PolarHBondContact OE1-NE2 3.26Å
195	R	84.1	Confident	75.5	Confident	93 Å²	93	75.5 Å²	75.5	35%	0.351	38%	0.384	S	S	.	.			trans	-81.8	149.8	-177.6	-65.5	-81.4	-71	-92.9	-0.2	111	E133 S197 E198 H199	E133-R195 VanDerWaalsContact OE1-CA 3.31Å; E133-R195 WeakPolarHBondContact OE1-CA 3.44Å; E133-R195 WeakPolarHBondContact OE1-CB 3.5Å; E133-R195 VanDerWaalsContact OE1-CD 3.28Å; E133-R195 WeakPolarHBondContact OE1-CD 3.38Å; E133-R195 IonicContact OE1-NE 3.21Å; E133-R195 PolarHBondContact OE1-NE 3.28Å; E133-R195 IonicContact OE2-NE 3.38Å; R195-S197 PolarHBondContact O-N 3.25Å; R195-E198 HydrophobicContact CB-CG 4.15Å; R195-E198 PolarHBondContact N-OE2 3.22Å; R195-E198 WeakPolarHBondContact O-CB 3.47Å; R195-E198 PolarHBondContact O-N 3.03Å; R195-H199 PolarHBondContact O-ND1 2.88Å; R195-H199 VanDerWaalsContact O-ND1 3.14Å
196	F	83.4	Confident	73.1	Confident	3 Å²	3	80.8 Å²	80.8	1%	0.013	41%	0.411	C	S	.	.	H	α-helix	trans	-59.8	-34.5	171.5	-62.5	-11.6	0	0	0	110.9	L115 L119 L129 L130 E133 V164 Y167 F168 E198 H199	L115-F196 HydrophobicContact CB-CE1 4.5Å; L115-F196 HydrophobicContact CD1-CE1 3.87Å; L115-F196 HydrophobicContact CD1-CZ 3.72Å; L115-F196 HydrophobicContact CD2-CZ 4.33Å; L119-F196 HydrophobicContact CD1-CB 3.65Å; L119-F196 HydrophobicContact CD1-CD1 3.85Å; L119-F196 HydrophobicContact CD1-CG 3.76Å; L119-F196 HydrophobicContact CD2-CB 4.03Å; L119-F196 HydrophobicContact CD2-CG 4.44Å; L129-F196 HydrophobicContact CB-CD2 4.15Å; L129-F196 HydrophobicContact CB-CE2 4.45Å; L129-F196 WeakPolarHBondContact O-CD2 3.49Å; L130-F196 HydrophobicContact CD2-CB 3.87Å; E133-F196 HydrophobicContact CB-CD2 3.59Å; E133-F196 HydrophobicContact CB-CE2 3.95Å; E133-F196 HydrophobicContact CB-CG 4.33Å; E133-F196 HydrophobicContact CG-CD2 4.37Å; E133-F196 PolarHBondContact OE1-N 3.36Å; V164-F196 HydrophobicContact CG1-CE2 3.89Å; V164-F196 HydrophobicContact CG1-CZ 3.97Å; V164-F196 HydrophobicContact CG2-CE2 3.87Å; V164-F196 HydrophobicContact CG2-CZ 4.04Å; Y167-F196 AromaticContact CD1-CE1 3.62Å; Y167-F196 HydrophobicContact CD1-CE1 3.62Å; Y167-F196 AromaticContact CD1-CZ 3.88Å; Y167-F196 HydrophobicContact CD1-CZ 3.88Å; Y167-F196 HydrophobicContact CE1-CD1 4.44Å; Y167-F196 AromaticContact CE1-CE1 3.57Å; Y167-F196 HydrophobicContact CE1-CE1 3.57Å; Y167-F196 HydrophobicContact CE1-CZ 4.3Å; Y167-F196 HydrophobicContact CG-CE1 4.49Å; F168-F196 HydrophobicContact CE2-CZ 4.28Å; F196-E198 PolarHBondContact O-N 2.7Å; F196-E198 VanDerWaalsContact O-N 3.11Å; F196-H199 PolarHBondContact O-N 3.35Å
197	S	79.4	Confident	70.8	Confident	42 Å²	42	83.6 Å²	83.6	29%	0.294	43%	0.425	S	S	.	.	H	α-helix	trans	-58.1	-15.9	172.7	-63.5	0	0	0	0	114.9	E133 R195 I200 K201	E133-S197 PolarHBondContact OE2-N 3.15Å; E133-S197 PolarHBondContact OE2-OG 3Å; R195-S197 PolarHBondContact O-N 3.25Å; S197-I200 VanDerWaalsContact O-CD1 3.3Å; S197-I200 WeakPolarHBondContact O-CD1 3.3Å; S197-K201 WeakPolarHBondContact O-CE 3.29Å; S197-K201 WeakPolarHBondContact O-CG 3.37Å
198	E	79.5	Confident	68.7	Low	81 Å²	81	86.8 Å²	86.8	38%	0.379	41%	0.414	S	S	.	.	H	α-helix	trans	-90.4	-37.7	178.5	-66.1	176.3	142.8	0	0	112.1	R195 F196 I200 K201	R195-E198 HydrophobicContact CB-CG 4.15Å; R195-E198 PolarHBondContact N-OE2 3.22Å; R195-E198 WeakPolarHBondContact O-CB 3.47Å; R195-E198 PolarHBondContact O-N 3.03Å; F196-E198 PolarHBondContact O-N 2.7Å; F196-E198 VanDerWaalsContact O-N 3.11Å; E198-I200 PolarHBondContact O-N 2.78Å; E198-I200 VanDerWaalsContact O-N 3.15Å; E198-K201 PolarHBondContact O-N 3.11Å
199	H	75.5	Confident	66.5	Low	17 Å²	17	89.9 Å²	89.9	8%	0.079	43%	0.425	C	S	.	.	H	α-helix	trans	-65.8	-13.5	176.6	-66.3	95.7	0	0	0	114.5	H112 V116 L119 Q194 R195 F196	H112-H199 AromaticContact CE1-CE1 3.96Å; H112-H199 AromaticContact CE1-NE2 3.85Å; V116-H199 VanDerWaalsContact CG2-CD2 3.47Å; V116-H199 WeakPolarHBondContact CG2-CD2 3.28Å; V116-H199 VanDerWaalsContact CG2-NE2 3.29Å; V116-H199 WeakPolarHBondContact CG2-NE2 3.47Å; L119-H199 HydrophobicContact CD1-CB 4.26Å; Q194-H199 VanDerWaalsContact CD-NE2 3.28Å; Q194-H199 PolarHBondContact NE2-CE1 3.31Å; Q194-H199 PolarHBondContact NE2-NE2 3.39Å; Q194-H199 VanDerWaalsContact NE2-NE2 3.17Å; Q194-H199 PolarHBondContact OE1-CE1 2.84Å; Q194-H199 VanDerWaalsContact OE1-CE1 3.28Å; Q194-H199 PolarHBondContact OE1-NE2 3.26Å; R195-H199 PolarHBondContact O-ND1 2.88Å; R195-H199 VanDerWaalsContact O-ND1 3.14Å; F196-H199 PolarHBondContact O-N 3.35Å
200	I	74.3	Confident	64.1	Low	25 Å²	25	95.9 Å²	95.9	13%	0.128	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	4.8	-179	62.5	68.4	0	0	0	113.5	L119 R126 L130 S197 E198	L119-I200 HydrophobicContact CB-CG2 4.31Å; L119-I200 HydrophobicContact CD2-CG2 4.28Å; R126-I200 HydrophobicContact CG-CG2 3.76Å; L130-I200 HydrophobicContact CD1-CG1 4.47Å; L130-I200 HydrophobicContact CD2-CG1 4.48Å; S197-I200 VanDerWaalsContact O-CD1 3.3Å; S197-I200 WeakPolarHBondContact O-CD1 3.3Å; E198-I200 PolarHBondContact O-N 2.78Å; E198-I200 VanDerWaalsContact O-N 3.15Å
201	K	57.9	Low	62	Low	113 Å²	113	102.6 Å²	102.6	49%	0.491	48%	0.479	S	S	.	.	S	Bend	trans	-77.4	-23.9	-177	-70.6	176.1	-177.4	170.4	0	113.9	S197 E198	S197-K201 WeakPolarHBondContact O-CE 3.29Å; S197-K201 WeakPolarHBondContact O-CG 3.37Å; E198-K201 PolarHBondContact O-N 3.11Å
202	D	52.4	Low	59.7	Low	142 Å²	142	107.8 Å²	107.8	76%	0.759	50%	0.498	S	S	*	.	S	Bend	trans	-82.8	-20.4	-173.8	-62.7	-41.4	0	0	0	115.1
203	E	51.5	Low	58	Low	77 Å²	77	114.9 Å²	114.9	36%	0.36	53%	0.534	S	S	.	.			trans	-108.8	2.5	-171	-78.5	-168.5	112.1	0	0	115.9	R126 N205 M206	R126-E203 IonicContact CZ-OE2 2.65Å; R126-E203 IonicContact NH1-OE2 3.32Å; R126-E203 PolarHBondContact NH1-OE2 3.17Å; R126-E203 IonicContact NH2-OE2 2.88Å; R126-E203 PolarHBondContact NH2-OE2 2.91Å; E203-N205 PolarHBondContact O-N 2.95Å; E203-M206 PolarHBondContact O-N 3.27Å
204	R	50.6	Low	56.6	Low	169 Å²	169	113 Å²	113	64%	0.638	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	5	-176	-67.3	-156.4	-61.2	156.2	-1.4	115.8
205	N	41.8	Very low	55.2	Low	83 Å²	83	117.7 Å²	117.7	44%	0.444	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-35.8	171.7	-164.7	-74.3	0	0	0	113.5	E203 D935	E203-N205 PolarHBondContact O-N 2.95Å; N205-D935 VanDerWaalsContact CG-CG 3.41Å; N205-D935 PolarHBondContact ND2-OD1 2.85Å; N205-D935 PolarHBondContact ND2-OD2 3.26Å; N205-D935 PolarHBondContact OD1-OD2 3.14Å
206	M	44.6	Very low	53.4	Low	148 Å²	148	122.8 Å²	122.8	73%	0.729	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	-29.9	-167.3	-66.8	-86.4	72.4	0	0	115.2	E203	E203-M206 PolarHBondContact O-N 3.27Å
207	D	42.3	Very low	51	Low	95 Å²	95	129.7 Å²	129.7	51%	0.508	61%	0.605	S	S	.	*	S	Bend	trans	-89.9	-3.6	-173.7	-100.2	-69.4	0	0	0	115.5	Q209	D207-Q209 PolarHBondContact O-N 2.99Å; D207-Q209 VanDerWaalsContact O-N 3.11Å
208	F	41.8	Very low	49.1	Very low	154 Å²	154	134.1 Å²	134.1	68%	0.675	63%	0.626	S	S	*	*			trans	-79.3	16.9	-179.3	-90.3	-78.5	0	0	0	115.3	K210	F208-K210 PolarHBondContact O-N 3.11Å
209	Q	39.6	Very low	47	Very low	186 Å²	186	135 Å²	135	87%	0.869	65%	0.647	S	S	*	*			trans	-75.5	51	153.5	-70.6	-150.1	4.9	0	0	111.9	D207 K211	D207-Q209 PolarHBondContact O-N 2.99Å; D207-Q209 VanDerWaalsContact O-N 3.11Å; Q209-K211 PolarHBondContact O-N 3.43Å
210	K	39.9	Very low	45	Very low	160 Å²	160	139 Å²	139	70%	0.696	68%	0.676	S	S	*	*			trans	-66.2	98.3	170.4	-174.8	175.4	-178.3	178.2	0	108.5	F208 F212	F208-K210 PolarHBondContact O-N 3.11Å; K210-F212 PolarHBondContact O-N 3.26Å
211	K	45.4	Very low	43.1	Very low	189 Å²	189	144.2 Å²	144.2	82%	0.822	70%	0.702	S	S	*	*			trans	-50	115	167.8	-82.7	173.6	176.3	169.3	0	108.8	Q209 I213	Q209-K211 PolarHBondContact O-N 3.43Å; K211-I213 VanDerWaalsContact C-N 3.25Å; K211-I213 PolarHBondContact O-N 2.79Å
212	F	39.4	Very low	42.1	Very low	201 Å²	201	146.3 Å²	146.3	88%	0.882	72%	0.718	S	S	*	*			trans	-67.8	85.6	171.1	-74.4	-96.6	0	0	0	109	K210 L214	K210-F212 PolarHBondContact O-N 3.26Å; F212-L214 PolarHBondContact O-N 3.22Å
213	I	48.2	Very low	41.5	Very low	158 Å²	158	146.1 Å²	146.1	81%	0.81	71%	0.711	S	S	*	*			trans	-70.3	108.6	153.5	-63.1	178.6	0	0	0	105.2	K211 K215	K211-I213 VanDerWaalsContact C-N 3.25Å; K211-I213 PolarHBondContact O-N 2.79Å; I213-K215 PolarHBondContact O-N 3Å
214	L	40.4	Very low	40.7	Very low	156 Å²	156	147.2 Å²	147.2	82%	0.817	72%	0.719	S	S	*	*			trans	-64.8	89.6	-176.1	-168.7	77	0	0	0	110.1	F212 R216	F212-L214 PolarHBondContact O-N 3.22Å; L214-R216 PolarHBondContact O-N 2.96Å
215	K	46.9	Very low	39.8	Very low	179 Å²	179	146.7 Å²	146.7	78%	0.778	73%	0.729	S	S	*	*			trans	-67.3	124.2	155	-97.8	-171.2	171.1	-170.6	0	107.1	I213 D217	I213-K215 PolarHBondContact O-N 3Å; K215-D217 PolarHBondContact O-N 3.17Å
216	R	47.6	Very low	39.2	Very low	200 Å²	200	148.9 Å²	148.9	76%	0.755	74%	0.741	S	S	*	*			trans	-79.2	101.4	173.1	174.1	-170.7	-100.5	106.7	-8.3	106.1	L214	L214-R216 PolarHBondContact O-N 2.96Å
217	D	32.3	Very low	38.6	Very low	148 Å²	148	148 Å²	148	79%	0.791	74%	0.735	S	S	*	*			trans	-94.2	119.2	163.9	-68.9	-60.6	0	0	0	107.4	K215 A219	K215-D217 PolarHBondContact O-N 3.17Å; D217-A219 PolarHBondContact O-N 2.82Å
218	D	39.7	Very low	38.6	Very low	136 Å²	136	150.2 Å²	150.2	73%	0.727	75%	0.745	S	S	*	*			trans	-80.2	112.9	-174.2	-78	-78.7	0	0	0	111.8
219	A	35.1	Very low	38.2	Very low	99 Å²	99	153.8 Å²	153.8	82%	0.818	75%	0.754	S	S	*	*			trans	54.4	145.9	164	0	0	0	0	0	117.4	D217	D217-A219 PolarHBondContact O-N 2.82Å
220	S	34.3	Very low	38.3	Very low	100 Å²	100	150.2 Å²	150.2	70%	0.699	75%	0.745	S	S	*	*			cis	-173	168.9	37.1	-164.5	0	0	0	0	110.8
221	M	33	Very low	38.2	Very low	136 Å²	136	148.1 Å²	148.1	67%	0.67	75%	0.747	S	S	*	*			trans	67.3	87.1	166.8	-60.1	-70.4	79.3	0	0	118.4	K223	M221-K223 HydrophobicContact CE-CB 4.35Å; M221-K223 HydrophobicContact CE-CD 4Å; M221-K223 HydrophobicContact CE-CG 4.15Å; M221-K223 HydrophobicContact SD-CB 4.1Å; M221-K223 HydrophobicContact SD-CD 4.04Å; M221-K223 HydrophobicContact SD-CG 4.39Å
222	D	38.4	Very low	37.5	Very low	157 Å²	157	146.8 Å²	146.8	84%	0.84	75%	0.748	S	S	*	*				-99.1	131.7	121.8	-172.8	-96.5	0	0	0	108.3
223	K	38.4	Very low	37.6	Very low	138 Å²	138	145.3 Å²	145.3	60%	0.6	74%	0.744	S	S	*	*			trans	-174.5	127.7	178.6	-112.7	-163.2	163.7	-162.5	0	105.9	M221	M221-K223 HydrophobicContact CE-CB 4.35Å; M221-K223 HydrophobicContact CE-CD 4Å; M221-K223 HydrophobicContact CE-CG 4.15Å; M221-K223 HydrophobicContact SD-CB 4.1Å; M221-K223 HydrophobicContact SD-CD 4.04Å; M221-K223 HydrophobicContact SD-CG 4.39Å
224	D	34.9	Very low	36.6	Very low	99 Å²	99	144.2 Å²	144.2	53%	0.529	74%	0.74	S	S	.	*			cis	-142	138.1	5.6	-83.5	-91	0	0	0	107.9	Q227	D224-Q227 PolarHBondContact OD1-NE2 2.81Å
225	D	32.5	Very low	36.5	Very low	159 Å²	159	140.1 Å²	140.1	85%	0.85	74%	0.736	S	S	*	*	S	Bend	trans	-140.5	121.4	141.5	-146.1	-50.9	0	0	0	112.6
226	N	29.2	Very low	36.4	Very low	129 Å²	129	143.7 Å²	143.7	69%	0.69	74%	0.744	S	S	*	*			trans	52.9	109	176	-143	1.4	0	0	0	121.3
227	Q	32.2	Very low	35.9	Very low	128 Å²	128	143 Å²	143	60%	0.598	74%	0.742	S	S	*	*			trans	-113.7	72.1	176.1	-59.4	-168.7	42.7	0	0	112.3	D224 R229	D224-Q227 PolarHBondContact OD1-NE2 2.81Å; Q227-R229 PolarHBondContact O-N 3.23Å
228	I	41.8	Very low	36.5	Very low	143 Å²	143	140.9 Å²	140.9	73%	0.733	74%	0.738	S	S	*	*			trans	-65.8	100.9	157.7	-64.6	-175.7	0	0	0	107.6
229	R	33.8	Very low	36.7	Very low	229 Å²	229	138.3 Å²	138.3	86%	0.864	72%	0.721	S	S	*	*	S	Bend	trans	-29.1	130.7	169.4	-73.4	169.2	159.9	156.9	-7.7	113.4	Q227	Q227-R229 PolarHBondContact O-N 3.23Å
230	V	40.2	Very low	37.3	Very low	111 Å²	111	134.9 Å²	134.9	67%	0.673	69%	0.691	S	S	*	*			cis	56.5	158	-5.5	-47.4	0	0	0	0	118.4
231	P	38.4	Very low	38.3	Very low	115 Å²	115	136.2 Å²	136.2	75%	0.747	69%	0.689	S	S	*	*			cis	-124.9	166.5	-10.6	39.5	-26.5	0	0	0	114.7
232	L	30.8	Very low	40.2	Very low	161 Å²	161	136.8 Å²	136.8	84%	0.843	69%	0.69	S	S	*	*			trans	-144.3	136.1	140.2	-145	106.2	0	0	0	111.2
233	Q	41.9	Very low	42	Very low	171 Å²	171	133.5 Å²	133.5	80%	0.799	67%	0.669	S	S	*	*	S	Bend	trans	-26.3	125.2	176.4	-62.2	154.8	4.7	0	0	114.4
234	D	27.8	Very low	44	Very low	135 Å²	135	132.8 Å²	132.8	72%	0.722	66%	0.663	S	S	*	*				-152.6	111.4	64.9	-114.2	-45.1	0	0	0	112.3
235	G	37.5	Very low	46.2	Very low	70 Å²	70	134.3 Å²	134.3	72%	0.722	67%	0.667	S	S	*	*	S	Bend	trans	-92.3	122.4	171.8	0	0	0	0	0	111.1	R237	G235-R237 VanDerWaalsContact C-N 3.31Å; G235-R237 PolarHBondContact O-N 2.87Å; G235-R237 VanDerWaalsContact O-N 3.11Å
236	R	45.5	Very low	48.5	Very low	254 Å²	254	132 Å²	132	96%	0.958	65%	0.651	S	S	*	*			trans	50.3	37.3	165.3	-56.1	-175.9	-175.3	-99.6	7	116.3	S238	R236-S238 PolarHBondContact O-N 2.98Å
237	R	35.7	Very low	50.7	Low	185 Å²	185	129.8 Å²	129.8	70%	0.698	64%	0.636	S	S	*	*			trans	-67.8	120	154.9	-151.8	173.1	-172.1	-148.3	1.2	106.6	G235 K239	G235-R237 VanDerWaalsContact C-N 3.31Å; G235-R237 PolarHBondContact O-N 2.87Å; G235-R237 VanDerWaalsContact O-N 3.11Å; R237-K239 PolarHBondContact O-N 2.83Å; R237-K239 VanDerWaalsContact O-N 3.16Å
238	S	44.8	Very low	52.9	Low	103 Å²	103	131.7 Å²	131.7	72%	0.72	64%	0.639	S	S	*	*			trans	-50.2	124.1	164.9	-55.3	0	0	0	0	107.1	R236 S240	R236-S238 PolarHBondContact O-N 2.98Å; S238-S240 PolarHBondContact O-N 3.49Å
239	K	44.4	Very low	54.8	Low	82 Å²	82	128.4 Å²	128.4	36%	0.357	62%	0.621	S	S	.	*			trans	-36.7	117.5	-176.8	-74.3	-167.7	160.3	178.1	0	109.5	R237 E243 R244 E247	R237-K239 PolarHBondContact O-N 2.83Å; R237-K239 VanDerWaalsContact O-N 3.16Å; K239-E243 VanDerWaalsContact CA-OE2 3.28Å; K239-E243 WeakPolarHBondContact CA-OE2 3.46Å; K239-E243 WeakPolarHBondContact CE-OE1 3.31Å; K239-E243 WeakPolarHBondContact CG-OE1 3.28Å; K239-R244 PolarHBondContact O-NH1 3.27Å; K239-R244 VanDerWaalsContact O-NH1 3.14Å; K239-R244 PolarHBondContact O-NH2 3.01Å; K239-E247 IonicContact NZ-OE1 3.17Å; K239-E247 PolarHBondContact NZ-OE1 3.49Å; K239-E247 IonicContact NZ-OE2 3.82Å; K239-E247 PolarHBondContact NZ-OE2 2.86Å
240	S	48	Very low	57.2	Low	28 Å²	28	123.4 Å²	123.4	20%	0.196	60%	0.602	C	S	.	*			trans	-57.8	155.1	-174.4	76	0	0	0	0	108.2	S238 E242 E243 R244	S238-S240 PolarHBondContact O-N 3.49Å; S240-E242 PolarHBondContact O-N 2.75Å; S240-E243 PolarHBondContact N-OE2 3.4Å; S240-E243 PolarHBondContact O-N 2.87Å; S240-E243 VanDerWaalsContact O-N 3.12Å; S240-E243 WeakPolarHBondContact OG-CB 3.37Å; S240-E243 PolarHBondContact OG-N 3.41Å; S240-R244 PolarHBondContact O-N 3.4Å
241	I	55.9	Low	59.1	Low	127 Å²	127	121 Å²	121	65%	0.651	59%	0.588	S	S	*	*	H	α-helix	trans	-54.7	-39.1	179.4	-177.6	58.6	0	0	0	110.7	R244 E245	I241-R244 PolarHBondContact O-N 3.41Å; I241-E245 VanDerWaalsContact O-CB 3.26Å; I241-E245 WeakPolarHBondContact O-CB 3.35Å; I241-E245 PolarHBondContact O-N 3Å
242	E	72.7	Confident	61.2	Low	148 Å²	148	121.7 Å²	121.7	69%	0.692	58%	0.575	S	S	*	*	H	α-helix	trans	-63.6	-44.8	174.6	-171	169.9	-149.6	0	0	113.5	S240 R244 E245 E246	S240-E242 PolarHBondContact O-N 2.75Å; E242-R244 VanDerWaalsContact C-N 3.35Å; E242-R244 PolarHBondContact O-N 3.12Å; E242-E245 PolarHBondContact O-N 2.92Å; E242-E246 WeakPolarHBondContact O-CB 3.33Å; E242-E246 PolarHBondContact O-N 3.24Å
243	E	75	Confident	63.3	Low	88 Å²	88	118 Å²	118	41%	0.411	56%	0.556	S	S	.	*	H	α-helix	trans	-65.4	-38.1	175.4	-171.4	-162.2	157.2	0	0	111.8	K239 S240 E247	K239-E243 VanDerWaalsContact CA-OE2 3.28Å; K239-E243 WeakPolarHBondContact CA-OE2 3.46Å; K239-E243 WeakPolarHBondContact CE-OE1 3.31Å; K239-E243 WeakPolarHBondContact CG-OE1 3.28Å; S240-E243 PolarHBondContact N-OE2 3.4Å; S240-E243 PolarHBondContact O-N 2.87Å; S240-E243 VanDerWaalsContact O-N 3.12Å; S240-E243 WeakPolarHBondContact OG-CB 3.37Å; S240-E243 PolarHBondContact OG-N 3.41Å; E243-E247 WeakPolarHBondContact O-CB 3.16Å; E243-E247 PolarHBondContact O-N 3.34Å
244	R	81.1	Confident	65.1	Low	124 Å²	124	118.7 Å²	118.7	47%	0.468	55%	0.552	S	S	.	*	H	α-helix	trans	-70.4	-36.7	175.7	-172.3	-173.8	-69.3	92	4.3	111.4	K239 S240 I241 E242 Y248	K239-R244 PolarHBondContact O-NH1 3.27Å; K239-R244 VanDerWaalsContact O-NH1 3.14Å; K239-R244 PolarHBondContact O-NH2 3.01Å; S240-R244 PolarHBondContact O-N 3.4Å; I241-R244 PolarHBondContact O-N 3.41Å; E242-R244 VanDerWaalsContact C-N 3.35Å; E242-R244 PolarHBondContact O-N 3.12Å; R244-Y248 WeakPolarHBondContact O-CB 3.31Å; R244-Y248 PolarHBondContact O-N 3.11Å
245	E	80.1	Confident	67.1	Low	131 Å²	131	117.1 Å²	117.1	61%	0.612	54%	0.542	S	S	*	.	H	α-helix	trans	-70.7	-40	176.3	-175.5	161.8	-150.3	0	0	111.4	I241 E242 Y248 Q249	I241-E245 VanDerWaalsContact O-CB 3.26Å; I241-E245 WeakPolarHBondContact O-CB 3.35Å; I241-E245 PolarHBondContact O-N 3Å; E242-E245 PolarHBondContact O-N 2.92Å; E245-Y248 CarbonylContact O-C 3.49Å; E245-Y248 PolarHBondContact O-N 2.9Å; E245-Q249 WeakPolarHBondContact O-CB 3.31Å; E245-Q249 PolarHBondContact O-N 3.23Å
246	E	81.8	Confident	68.5	Low	110 Å²	110	119 Å²	119	51%	0.514	53%	0.531	S	S	.	.	H	α-helix	trans	-67	-37.2	174	-160.2	-152.3	-143	0	0	111.7	E242 Q249 R250	E242-E246 WeakPolarHBondContact O-CB 3.33Å; E242-E246 PolarHBondContact O-N 3.24Å; E246-Q249 PolarHBondContact O-N 2.81Å; E246-R250 WeakPolarHBondContact O-CB 3.18Å; E246-R250 PolarHBondContact O-N 3.03Å; E246-R250 IonicContact OE1-NH2 3.31Å; E246-R250 PolarHBondContact OE1-NH2 2.68Å; E246-R250 IonicContact OE2-CZ 3.3Å; E246-R250 VanDerWaalsContact OE2-CZ 3.32Å; E246-R250 IonicContact OE2-NH1 3.13Å; E246-R250 PolarHBondContact OE2-NH1 3.3Å; E246-R250 IonicContact OE2-NH2 2.68Å; E246-R250 PolarHBondContact OE2-NH2 2.75Å
247	E	75	Confident	69.1	Low	83 Å²	83	109.6 Å²	109.6	39%	0.388	51%	0.507	S	S	.	.	H	α-helix	trans	-66.5	-40	170.9	-169.7	174.8	-132.7	0	0	112.1	K239 E243 R250 V251	K239-E247 IonicContact NZ-OE1 3.17Å; K239-E247 PolarHBondContact NZ-OE1 3.49Å; K239-E247 IonicContact NZ-OE2 3.82Å; K239-E247 PolarHBondContact NZ-OE2 2.86Å; E243-E247 WeakPolarHBondContact O-CB 3.16Å; E243-E247 PolarHBondContact O-N 3.34Å; E247-R250 PolarHBondContact O-N 2.8Å; E247-V251 WeakPolarHBondContact O-CB 3.46Å; E247-V251 VanDerWaalsContact O-CG2 3.31Å; E247-V251 WeakPolarHBondContact O-CG2 3.13Å; E247-V251 PolarHBondContact O-N 3.43Å
248	Y	79.9	Confident	70	Confident	167 Å²	167	111 Å²	111	66%	0.655	51%	0.512	S	S	*	.	H	α-helix	trans	-65.8	-40.8	174.7	-167.4	-95.8	0	0	0	111.8	R244 E245 V251 R252	R244-Y248 WeakPolarHBondContact O-CB 3.31Å; R244-Y248 PolarHBondContact O-N 3.11Å; E245-Y248 CarbonylContact O-C 3.49Å; E245-Y248 PolarHBondContact O-N 2.9Å; Y248-V251 PolarHBondContact O-N 3.09Å; Y248-R252 VanDerWaalsContact O-CB 3.28Å; Y248-R252 WeakPolarHBondContact O-CB 3.46Å; Y248-R252 PolarHBondContact O-N 2.91Å
249	Q	80.4	Confident	70.2	Confident	75 Å²	75	113.5 Å²	113.5	35%	0.35	51%	0.512	S	S	.	.	H	α-helix	trans	-68.7	-41.3	176.3	-168.7	60.3	37.7	0	0	111	E245 E246 V251 R252 D253	E245-Q249 WeakPolarHBondContact O-CB 3.31Å; E245-Q249 PolarHBondContact O-N 3.23Å; E246-Q249 PolarHBondContact O-N 2.81Å; Q249-V251 VanDerWaalsContact C-N 3.28Å; Q249-V251 PolarHBondContact O-N 2.92Å; Q249-R252 CarbonylContact O-C 3.54Å; Q249-R252 WeakPolarHBondContact O-CB 3.25Å; Q249-R252 PolarHBondContact O-N 2.74Å; Q249-R252 VanDerWaalsContact O-N 3.13Å; Q249-D253 PolarHBondContact NE2-OD1 3.06Å; Q249-D253 WeakPolarHBondContact O-CB 3.33Å; Q249-D253 PolarHBondContact O-N 3.1Å
250	R	83.8	Confident	70.4	Confident	123 Å²	123	115.1 Å²	115.1	46%	0.464	53%	0.529	S	S	.	.	H	α-helix	trans	-61.4	-33.9	172.9	-175.4	-177.4	-69.9	115.2	-3.6	112.8	E246 E247 R254	E246-R250 WeakPolarHBondContact O-CB 3.18Å; E246-R250 PolarHBondContact O-N 3.03Å; E246-R250 IonicContact OE1-NH2 3.31Å; E246-R250 PolarHBondContact OE1-NH2 2.68Å; E246-R250 IonicContact OE2-CZ 3.3Å; E246-R250 VanDerWaalsContact OE2-CZ 3.32Å; E246-R250 IonicContact OE2-NH1 3.13Å; E246-R250 PolarHBondContact OE2-NH1 3.3Å; E246-R250 IonicContact OE2-NH2 2.68Å; E246-R250 PolarHBondContact OE2-NH2 2.75Å; E247-R250 PolarHBondContact O-N 2.8Å; R250-R254 WeakPolarHBondContact O-CB 3.48Å; R250-R254 PolarHBondContact O-N 3Å
251	V	80.2	Confident	70.3	Confident	62 Å²	62	122.7 Å²	122.7	38%	0.376	56%	0.558	S	S	.	*	H	α-helix	trans	-74.9	-41.6	171.8	169.3	0	0	0	0	111.3	E247 Y248 Q249 R254 I255	E247-V251 WeakPolarHBondContact O-CB 3.46Å; E247-V251 VanDerWaalsContact O-CG2 3.31Å; E247-V251 WeakPolarHBondContact O-CG2 3.13Å; E247-V251 PolarHBondContact O-N 3.43Å; Y248-V251 PolarHBondContact O-N 3.09Å; Q249-V251 VanDerWaalsContact C-N 3.28Å; Q249-V251 PolarHBondContact O-N 2.92Å; V251-R254 WeakPolarHBondContact O-CB 3.17Å; V251-R254 PolarHBondContact O-N 3.34Å; V251-I255 HydrophobicContact CG1-CD1 3.76Å; V251-I255 VanDerWaalsContact O-CG1 3.3Å; V251-I255 WeakPolarHBondContact O-CG1 3.28Å; V251-I255 PolarHBondContact O-N 3.09Å
252	R	83.3	Confident	69.5	Low	129 Å²	129	121.6 Å²	121.6	49%	0.487	56%	0.562	S	S	.	*	H	α-helix	trans	-59.7	-49.2	175.3	-173.9	-177	-177.2	145.6	5.9	111	Y248 Q249 R254 I255 F256	Y248-R252 VanDerWaalsContact O-CB 3.28Å; Y248-R252 WeakPolarHBondContact O-CB 3.46Å; Y248-R252 PolarHBondContact O-N 2.91Å; Q249-R252 CarbonylContact O-C 3.54Å; Q249-R252 WeakPolarHBondContact O-CB 3.25Å; Q249-R252 PolarHBondContact O-N 2.74Å; Q249-R252 VanDerWaalsContact O-N 3.13Å; R252-R254 VanDerWaalsContact C-N 3.31Å; R252-R254 PolarHBondContact O-N 2.84Å; R252-I255 PolarHBondContact O-N 3.29Å; R252-F256 HydrophobicContact CG-CD2 3.58Å; R252-F256 HydrophobicContact CG-CE2 4.04Å; R252-F256 VanDerWaalsContact O-CD2 3.32Å; R252-F256 WeakPolarHBondContact O-CD2 3.05Å; R252-F256 PolarHBondContact O-N 3.34Å
253	D	74.4	Confident	67.9	Low	82 Å²	82	119.8 Å²	119.8	44%	0.439	57%	0.566	S	S	.	*	H	α-helix	trans	-62.7	-39.6	178.1	-64.4	-19.9	0	0	0	110.4	Q249 I255 A257	Q249-D253 PolarHBondContact NE2-OD1 3.06Å; Q249-D253 WeakPolarHBondContact O-CB 3.33Å; Q249-D253 PolarHBondContact O-N 3.1Å; D253-I255 VanDerWaalsContact C-N 3.29Å; D253-I255 PolarHBondContact O-N 3.23Å; D253-A257 WeakPolarHBondContact O-CA 3.14Å; D253-A257 WeakPolarHBondContact O-CB 3.26Å; D253-A257 PolarHBondContact O-N 3.34Å
254	R	80.2	Confident	66	Low	187 Å²	187	123.9 Å²	123.9	71%	0.706	59%	0.585	S	S	*	*	H	α-helix	trans	-60.9	-35.9	172.5	-175	-177.1	-62.7	167	1.3	113.3	R250 V251 R252	R250-R254 WeakPolarHBondContact O-CB 3.48Å; R250-R254 PolarHBondContact O-N 3Å; V251-R254 WeakPolarHBondContact O-CB 3.17Å; V251-R254 PolarHBondContact O-N 3.34Å; R252-R254 VanDerWaalsContact C-N 3.31Å; R252-R254 PolarHBondContact O-N 2.84Å
255	I	69.8	Low	63.8	Low	102 Å²	102	125.7 Å²	125.7	52%	0.523	60%	0.604	S	S	.	*	H	α-helix	trans	-79.4	-47.4	-178.8	-69.3	168.1	0	0	0	111	V251 R252 D253	V251-I255 HydrophobicContact CG1-CD1 3.76Å; V251-I255 VanDerWaalsContact O-CG1 3.3Å; V251-I255 WeakPolarHBondContact O-CG1 3.28Å; V251-I255 PolarHBondContact O-N 3.09Å; R252-I255 PolarHBondContact O-N 3.29Å; D253-I255 VanDerWaalsContact C-N 3.29Å; D253-I255 PolarHBondContact O-N 3.23Å
256	F	67.3	Low	61.4	Low	110 Å²	110	122.8 Å²	122.8	48%	0.482	61%	0.609	S	S	.	*	H	α-helix	trans	-98.3	-24.8	-170	-66.4	-77.1	0	0	0	114.6	R252 R258 E259 V260	R252-F256 HydrophobicContact CG-CD2 3.58Å; R252-F256 HydrophobicContact CG-CE2 4.04Å; R252-F256 VanDerWaalsContact O-CD2 3.32Å; R252-F256 WeakPolarHBondContact O-CD2 3.05Å; R252-F256 PolarHBondContact O-N 3.34Å; F256-R258 PolarHBondContact O-N 2.96Å; F256-R258 VanDerWaalsContact O-N 3.09Å; F256-E259 PolarHBondContact O-N 2.96Å; F256-E259 VanDerWaalsContact O-N 3.1Å; F256-V260 PolarHBondContact O-N 3.03Å
257	A	57.3	Low	58.9	Low	55 Å²	55	127.6 Å²	127.6	46%	0.455	62%	0.624	S	S	.	*	H	α-helix	trans	-66.4	-12.3	174.3	0	0	0	0	0	112.8	D253	D253-A257 WeakPolarHBondContact O-CA 3.14Å; D253-A257 WeakPolarHBondContact O-CB 3.26Å; D253-A257 PolarHBondContact O-N 3.34Å
258	R	54.7	Low	57	Low	216 Å²	216	130.7 Å²	130.7	82%	0.815	64%	0.642	S	S	*	*	H	α-helix	trans	-76.3	-19.9	174	-135.3	177	-168.7	-177	2.9	113.9	F256	F256-R258 PolarHBondContact O-N 2.96Å; F256-R258 VanDerWaalsContact O-N 3.09Å
259	E	48.1	Very low	54.6	Low	154 Å²	154	129.8 Å²	129.8	72%	0.72	65%	0.648	S	S	*	*	H	α-helix	trans	-93.3	-30.3	171.7	-69.6	-176.6	146.1	0	0	111.9	F256 K261	F256-E259 PolarHBondContact O-N 2.96Å; F256-E259 VanDerWaalsContact O-N 3.1Å; E259-K261 PolarHBondContact O-N 3.03Å; E259-K261 VanDerWaalsContact O-N 3.17Å
260	V	50.4	Low	52.1	Low	117 Å²	117	133.4 Å²	133.4	71%	0.709	67%	0.67	S	S	*	*	H	α-helix	trans	-62.3	-21.2	175.8	177.3	0	0	0	0	112.7	F256	F256-V260 PolarHBondContact O-N 3.03Å
261	K	45.8	Very low	49.5	Very low	186 Å²	186	134.6 Å²	134.6	81%	0.809	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.7	68.2	178.1	-68	-164.4	174.6	-171.9	0	114.2	E259	E259-K261 PolarHBondContact O-N 3.03Å; E259-K261 VanDerWaalsContact O-N 3.17Å
262	S	39.3	Very low	46.9	Very low	105 Å²	105	142.2 Å²	142.2	73%	0.734	71%	0.707	S	S	*	*	S	Bend	trans	-130.3	20.9	161	-170.1	0	0	0	0	113.5
263	S	38.3	Very low	44.4	Very low	110 Å²	110	142.8 Å²	142.8	77%	0.769	72%	0.719	S	S	*	*	S	Bend	trans	-128.1	122.8	178.2	-63.6	0	0	0	0	111.9
264	Q	34.3	Very low	42.1	Very low	173 Å²	173	143.7 Å²	143.7	81%	0.808	73%	0.732	S	S	*	*			trans	66.8	111.7	166.7	-127.3	75.6	13.5	0	0	119.8
265	N	36.3	Very low	39.5	Very low	162 Å²	162	140.6 Å²	140.6	87%	0.866	74%	0.735	S	S	*	*			trans	-64.3	158.9	158.8	-77.5	-11.3	0	0	0	112.4
266	G	29.7	Very low	37.4	Very low	70 Å²	70	145.1 Å²	145.1	72%	0.722	75%	0.753	S	S	*	*			trans	-160	77	171.6	0	0	0	0	0	115.1
267	Y	29.6	Very low	35.5	Very low	212 Å²	212	143 Å²	143	83%	0.831	76%	0.763	S	S	*	*			trans	42.3	126	150.9	-67.8	-87	0	0	0	123.2
268	I	33.5	Very low	34.1	Very low	148 Å²	148	151.3 Å²	151.3	76%	0.759	78%	0.784	S	S	*	*			trans	71.8	136.5	139.9	-63.3	169.5	0	0	0	115.5
269	N	29.1	Very low	32.7	Very low	147 Å²	147	146.5 Å²	146.5	79%	0.786	78%	0.783	S	S	*	*			cis	-144.2	171	16.5	-142.6	0.5	0	0	0	112.4
270	D	28.7	Very low	31.5	Very low	151 Å²	151	145.2 Å²	145.2	81%	0.807	79%	0.791	S	S	*	*			trans	-72.5	162.1	-177.6	-78.7	-83.2	0	0	0	117.6
271	N	28.8	Very low	30.4	Very low	148 Å²	148	144.8 Å²	144.8	79%	0.791	79%	0.793	S	S	*	*			trans	87.2	90.3	144	-156.5	20.6	0	0	0	120.6
272	R	27.1	Very low	29.8	Very low	222 Å²	222	142.3 Å²	142.3	84%	0.838	80%	0.799	S	S	*	*				-171.4	129.1	109.5	-112.9	-173.5	168.2	-158.4	-2.2	115.7
273	L	29.1	Very low	29.6	Very low	141 Å²	141	146.3 Å²	146.3	74%	0.738	81%	0.806	S	S	*	*			trans	64.6	102.8	135.7	-150.9	68.8	0	0	0	121.3
274	S	26.8	Very low	29.4	Very low	101 Å²	101	150.6 Å²	150.6	71%	0.706	81%	0.811	S	S	*	*			trans	56.4	113.8	139.8	-53.7	0	0	0	0	121.2
275	T	26.5	Very low	29.5	Very low	123 Å²	123	154 Å²	154	76%	0.755	82%	0.816	S	S	*	*				168.3	137.8	106.7	-68.3	0	0	0	0	111.3
276	E	25.5	Very low	29.6	Very low	196 Å²	196	158 Å²	158	92%	0.916	82%	0.819	S	S	*	*			trans	61.5	139	168.5	-76.1	178.6	176.6	0	0	121.2
277	G	26.8	Very low	29.8	Very low	67 Å²	67	163.8 Å²	163.8	69%	0.691	83%	0.827	S	S	*	*			trans	131.3	97.8	148.8	0	0	0	0	0	120.3
278	Y	27.5	Very low	30.2	Very low	228 Å²	228	161.5 Å²	161.5	89%	0.894	83%	0.828	S	S	*	*			trans	82.1	136.7	142.1	-79.1	-87	0	0	0	125.4
279	C	24.8	Very low	30.2	Very low	116 Å²	116	164.6 Å²	164.6	78%	0.784	84%	0.836	S	S	*	*			trans	80.6	114.8	141.1	-94.3	0	0	0	0	122.6
280	S	23.9	Very low	30.3	Very low	127 Å²	127	169.9 Å²	169.9	89%	0.888	85%	0.845	S	S	*	*			trans	-160.5	156.4	134.5	-96.1	0	0	0	0	114.2
281	S	27.8	Very low	30.3	Very low	108 Å²	108	166.2 Å²	166.2	76%	0.755	84%	0.843	S	S	*	*			trans	80.5	82.1	171.1	-153.4	0	0	0	0	118.6
282	S	32.6	Very low	30.2	Very low	134 Å²	134	166.5 Å²	166.5	94%	0.937	85%	0.845	S	S	*	*			trans	-137.4	48.6	151.4	-77.9	0	0	0	0	110.8
283	Q	35.5	Very low	30.2	Very low	189 Å²	189	164.9 Å²	164.9	88%	0.883	84%	0.839	S	S	*	*			trans	-134.8	41.5	-171.3	-152.7	176	13.6	0	0	113
284	K	33.9	Very low	30.1	Very low	200 Å²	200	164.9 Å²	164.9	87%	0.87	84%	0.835	S	S	*	*			trans	-154.1	62.9	179.6	-150.5	168.9	-172.9	173.3	0	117.1
285	R	35.4	Very low	30.1	Very low	243 Å²	243	164.8 Å²	164.8	92%	0.917	83%	0.834	S	S	*	*			trans	-157.8	66.9	155.8	-162.4	166.1	-77.1	-127.3	1.1	114.4
286	R	40.2	Very low	30.1	Very low	247 Å²	247	164.7 Å²	164.7	93%	0.932	84%	0.838	S	S	*	*	S	Bend	trans	-153.3	46.7	163.6	-140.2	-174.1	-67.8	-122.9	7.8	114.3
287	Q	33.4	Very low	30.2	Very low	191 Å²	191	159.7 Å²	159.7	89%	0.893	83%	0.825	S	S	*	*			trans	-149.1	90.6	166.9	-76.2	-162.9	7.1	0	0	111.5
288	I	37.3	Very low	30.4	Very low	164 Å²	164	167.5 Å²	167.5	84%	0.841	83%	0.834	S	S	*	*			trans	-156.3	83.9	153.4	14.1	173.6	0	0	0	109.8
289	F	32.8	Very low	30.4	Very low	214 Å²	214	161.2 Å²	161.2	94%	0.939	83%	0.829	S	S	*	*			trans	-150.9	100.3	155.8	-91.3	-71.7	0	0	0	107.9
290	R	32.4	Very low	30.6	Very low	257 Å²	257	161.3 Å²	161.3	97%	0.97	83%	0.831	S	S	*	*			trans	-130	90.3	159.6	-89.8	-167.7	-177.7	-105.2	4.2	107.7
291	G	29	Very low	30.8	Very low	75 Å²	75	160.4 Å²	160.4	77%	0.773	82%	0.824	S	S	*	*			trans	-82.3	128.5	162	0	0	0	0	0	109.6
292	N	25.4	Very low	30.7	Very low	154 Å²	154	160 Å²	160	82%	0.824	82%	0.822	S	S	*	*			trans	-73.7	140.9	166.5	175.4	73.2	0	0	0	108.9
293	R	27.6	Very low	30.7	Very low	187 Å²	187	164.6 Å²	164.6	71%	0.706	82%	0.819	S	S	*	*			cis	-170.5	155.2	-12.5	165.7	179.4	168.9	-153.2	-12.8	108.6
294	E	27.3	Very low	30.5	Very low	141 Å²	141	164.2 Å²	164.2	66%	0.659	82%	0.817	S	S	*	*			trans	59.5	177.4	174.2	-101.7	73.7	-55.9	0	0	116
295	S	26.1	Very low	30.2	Very low	100 Å²	100	159.7 Å²	159.7	70%	0.699	81%	0.811	S	S	*	*			cis	-139.4	137.8	2.5	53	0	0	0	0	113.4
296	S	26.8	Very low	30.1	Very low	120 Å²	120	153 Å²	153	84%	0.839	80%	0.801	S	S	*	*			trans	60.4	141.6	163.5	-79.2	0	0	0	0	120.3
297	S	27.1	Very low	29.7	Very low	91 Å²	91	147.5 Å²	147.5	64%	0.636	80%	0.795	S	S	*	*			cis	-171.2	161.2	-12.7	53.7	0	0	0	0	111.5
298	R	31.7	Very low	29.4	Very low	232 Å²	232	145.3 Å²	145.3	88%	0.875	79%	0.789	S	S	*	*			trans	77.9	112.9	171.1	-50.5	175.1	-177.6	-173	-2.4	115
299	A	27.4	Very low	29	Very low	95 Å²	95	142.1 Å²	142.1	79%	0.785	78%	0.782	S	S	*	*			cis	71.1	140.1	46.5	0	0	0	0	0	112.9
300	S	28.6	Very low	28.8	Very low	118 Å²	118	138.5 Å²	138.5	83%	0.825	77%	0.772	S	S	*	*			cis	-172.7	170.4	-0.8	-102.3	0	0	0	0	108.2
301	S	28.3	Very low	28.6	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	76%	0.755	S	S	*	*			cis	-174.8	-164.9	-17.2	-173	0	0	0	0	108.6
302	S	26.7	Very low	28.6	Very low	101 Å²	101	137.5 Å²	137.5	71%	0.706	76%	0.757	S	S	*	*			trans	85	144	168.4	-157.4	0	0	0	0	118.3
303	R	32.9	Very low	28.5	Very low	229 Å²	229	135.4 Å²	135.4	86%	0.864	75%	0.753	S	S	*	*			cis	151.2	162.9	-28.5	-96.8	-172.8	168.4	-125	0.5	108.7
304	Q	30.1	Very low	28.5	Very low	182 Å²	182	134.7 Å²	134.7	85%	0.85	76%	0.763	S	S	*	*			trans	89.8	157.3	170.2	-53.8	177.4	-7.3	0	0	117.2
305	S	28	Very low	28.5	Very low	105 Å²	105	136.7 Å²	136.7	73%	0.734	77%	0.772	S	S	*	*				174.1	125.9	-62	-90.9	0	0	0	0	112.7
306	S	34	Very low	29.4	Very low	103 Å²	103	137 Å²	137	72%	0.72	77%	0.771	S	S	*	*			trans	76.3	153	142	-45.6	0	0	0	0	124
307	T	31.1	Very low	30.6	Very low	130 Å²	130	142.8 Å²	142.8	80%	0.798	78%	0.775	S	S	*	*			trans	80.5	145.1	157.5	66.6	0	0	0	0	121.5
308	D	26.5	Very low	31.4	Very low	145 Å²	145	143.7 Å²	143.7	78%	0.775	78%	0.778	S	S	*	*			cis	-168.5	176.8	-38	-124	108.8	0	0	0	115
309	S	29.3	Very low	31.3	Very low	98 Å²	98	142.4 Å²	142.4	69%	0.685	77%	0.774	S	S	*	*			trans	60.4	104.4	151.3	67.2	0	0	0	0	125.5
310	D	28	Very low	31.4	Very low	138 Å²	138	142.2 Å²	142.2	74%	0.738	77%	0.767	S	S	*	*				63.7	125.4	109.5	-85.7	-138.3	0	0	0	129
311	M	29.8	Very low	31.4	Very low	122 Å²	122	140.8 Å²	140.8	60%	0.601	76%	0.757	S	S	*	*			trans	80.2	95.9	134.1	-56.1	-59.6	159.5	0	0	126.6
312	K	28.5	Very low	31.5	Very low	188 Å²	188	141.6 Å²	141.6	82%	0.817	76%	0.757	S	S	*	*				58.6	120.6	129.2	-79	170.7	173.6	165	0	123.4
313	C	22.6	Very low	31.6	Very low	111 Å²	111	143.9 Å²	143.9	75%	0.75	76%	0.761	S	S	*	*				-175.7	127.4	116.6	-152.7	0	0	0	0	114.3
314	L	27.2	Very low	31.4	Very low	172 Å²	172	136.6 Å²	136.6	90%	0.901	75%	0.746	S	S	*	*			trans	55.1	159.6	158.7	-62.8	169	0	0	0	121
315	E	27.6	Very low	31.1	Very low	182 Å²	182	135.1 Å²	135.1	85%	0.85	74%	0.744	S	S	*	*			trans	-163.2	159	-151.3	167.2	177.7	-167.6	0	0	109.9
316	P	45.5	Very low	31	Very low	106 Å²	106	134.2 Å²	134.2	69%	0.688	74%	0.737	S	S	*	*			cis	-123	-173.6	-0.4	40.9	-27.4	0	0	0	115.4
317	R	52.3	Low	30.7	Very low	242 Å²	242	133.7 Å²	133.7	91%	0.913	73%	0.734	S	S	*	*			trans	68.1	150.3	180	-90.3	-179.1	173	154.2	-1.6	113.3
318	P	43.2	Very low	30.6	Very low	110 Å²	110	134.1 Å²	134.1	71%	0.714	73%	0.731	S	S	*	*			cis	-146.6	-164.7	36	43.2	-22.2	0	0	0	116.3
319	W	29.3	Very low	31	Very low	206 Å²	206	137 Å²	137	78%	0.78	73%	0.731	S	S	*	*			trans	55.8	121.2	145.6	-138.9	-86.8	0	0	0	119.5	S321	W319-S321 PolarHBondContact NE1-OG 3.21Å
320	S	29.8	Very low	31.2	Very low	90 Å²	90	138.1 Å²	138.1	63%	0.629	73%	0.734	S	S	*	*			cis	72.6	-175.2	49	74	0	0	0	0	115.6
321	S	28.2	Very low	31.3	Very low	89 Å²	89	139.8 Å²	139.8	62%	0.622	74%	0.742	S	S	*	*			trans	81.9	106.9	-159.8	-54.8	0	0	0	0	112.5	W319	W319-S321 PolarHBondContact NE1-OG 3.21Å
322	T	31	Very low	31.7	Very low	124 Å²	124	141.3 Å²	141.3	76%	0.761	74%	0.741	S	S	*	*			cis	73.8	116.9	29	-36.7	0	0	0	0	113.8
323	D	28.1	Very low	32.1	Very low	149 Å²	149	137.9 Å²	137.9	80%	0.797	74%	0.738	S	S	*	*			trans	-149.2	104.2	149.3	-164.6	-126.3	0	0	0	105.5
324	S	29.1	Very low	32.7	Very low	77 Å²	77	136.8 Å²	136.8	54%	0.538	73%	0.73	S	S	.	*				72.9	112.6	81.6	-49.3	0	0	0	0	111.8
325	D	24.4	Very low	32.7	Very low	150 Å²	150	135.1 Å²	135.1	80%	0.802	73%	0.726	S	S	*	*				80.5	131.2	93.1	-139.5	-9.9	0	0	0	110.4
326	S	25.6	Very low	33.1	Very low	86 Å²	86	132.2 Å²	132.2	60%	0.601	72%	0.721	S	S	*	*			cis	-154.2	149.4	23	-53.8	0	0	0	0	115.2
327	S	28.6	Very low	32.2	Very low	93 Å²	93	132.6 Å²	132.6	65%	0.65	71%	0.712	S	S	*	*			trans	66.4	127.4	133.4	69.9	0	0	0	0	124.1
328	N	28.6	Very low	31.1	Very low	138 Å²	138	124.7 Å²	124.7	74%	0.738	70%	0.699	S	S	*	*			trans	70.5	126.1	136.7	-68.7	-30.7	0	0	0	119.5
329	R	34.7	Very low	30.5	Very low	205 Å²	205	122.3 Å²	122.3	77%	0.774	68%	0.684	S	S	*	*			cis	-147.5	154.6	3.5	-56.8	-176	168.7	-102.4	-2.3	111.4
330	T	33	Very low	30.6	Very low	122 Å²	122	115.5 Å²	115.5	75%	0.748	67%	0.668	S	S	*	*			trans	33.3	100.3	147.3	54.6	0	0	0	0	119.3
331	L	31	Very low	30.7	Very low	174 Å²	174	119 Å²	119	91%	0.911	67%	0.672	S	S	*	*				176.1	152	117.5	-89.1	165.8	0	0	0	110
332	R	37.9	Very low	31.6	Very low	154 Å²	154	117.6 Å²	117.6	58%	0.581	66%	0.663	S	S	*	*			trans	-31.6	134.3	-166.6	-71	-175.2	169.2	113.8	4.3	118.8	L820 Y821	R332-L820 WeakPolarHBondContact CD-O 3.25Å; R332-Y821 VanDerWaalsContact NH1-CD2 3.35Å; R332-Y821 VanDerWaalsContact NH1-CE2 3.26Å
333	P	35.4	Very low	31.5	Very low	116 Å²	116	115.4 Å²	115.4	75%	0.753	67%	0.665	S	S	*	*			trans	-87.7	148.8	154.9	35.6	-31.3	0	0	0	112.1
334	P	36.2	Very low	32.2	Very low	88 Å²	88	115.9 Å²	115.9	57%	0.571	67%	0.666	S	S	*	*			trans	-93.1	166.5	174.9	38.1	-35.4	0	0	0	113
335	V	27.6	Very low	32.2	Very low	137 Å²	137	118 Å²	118	83%	0.83	68%	0.681	S	S	*	*			trans	63.3	143.9	170.1	-42.3	0	0	0	0	116.2
336	T	34.8	Very low	32.7	Very low	121 Å²	121	117.7 Å²	117.7	74%	0.742	68%	0.677	S	S	*	*			cis	-152.6	136.5	2.4	-32.5	0	0	0	0	109.8
337	K	26.7	Very low	32.9	Very low	113 Å²	113	120.8 Å²	120.8	49%	0.491	69%	0.686	S	S	.	*			trans	-147.7	148.7	159.4	-88	-176.1	-168.9	138.5	0	109.1	K816 P817	K337-K816 WeakPolarHBondContact CE-O 3.46Å; K337-K816 VanDerWaalsContact NZ-C 3.31Å; K337-K816 PolarHBondContact NZ-O 3.36Å; K337-P817 WeakPolarHBondContact CD-O 3.47Å; K337-P817 PolarHBondContact NZ-O 3.23Å
338	A	30	Very low	32.9	Very low	77 Å²	77	122 Å²	122	64%	0.636	69%	0.69	S	S	*	*			cis	-134.9	154.8	26.6	0	0	0	0	0	115.6
339	S	30.4	Very low	33.1	Very low	59 Å²	59	126.6 Å²	126.6	41%	0.413	70%	0.697	S	S	.	*			trans	41	117.6	137.3	-118	0	0	0	0	118.7
340	S	32.5	Very low	32.8	Very low	63 Å²	63	119.6 Å²	119.6	44%	0.441	69%	0.689	S	S	.	*			cis	59.3	107.3	42.8	-156.1	0	0	0	0	112.1	Q812	S340-Q812 VanDerWaalsContact OG-CD 3.3Å; S340-Q812 PolarHBondContact OG-NE2 2.88Å; S340-Q812 PolarHBondContact OG-OE1 3.07Å
341	F	30.9	Very low	32.6	Very low	164 Å²	164	120.8 Å²	120.8	72%	0.719	69%	0.691	S	S	*	*			cis	102.7	65.7	14.9	-155.2	-105.2	0	0	0	117.4	E811 Q812	F341-E811 WeakPolarHBondContact CA-OE1 3.34Å; F341-E811 PolarHBondContact N-OE1 2.82Å; F341-Q812 VanDerWaalsContact C-NE2 3.34Å; F341-Q812 PolarHBondContact O-NE2 2.95Å
342	S	46.8	Very low	32.4	Very low	60 Å²	60	117.3 Å²	117.3	42%	0.42	68%	0.681	S	S	.	*			trans	60.3	164.3	154.4	-81.6	0	0	0	0	120.6	E811 Q812	S342-E811 WeakPolarHBondContact CB-OE2 3.44Å; S342-E811 VanDerWaalsContact N-CD 3.28Å; S342-E811 PolarHBondContact N-OE1 2.67Å; S342-E811 PolarHBondContact N-OE2 3.22Å; S342-E811 PolarHBondContact OG-OE2 3.16Å; S342-Q812 PolarHBondContact O-NE2 2.98Å
343	G	29.8	Very low	31.9	Very low	78 Å²	78	118.3 Å²	118.3	80%	0.804	70%	0.697	S	S	*	*			trans	166.9	139.2	-179.9	0	0	0	0	0	113.2
344	I	42.7	Very low	31.7	Very low	158 Å²	158	116.5 Å²	116.5	81%	0.81	70%	0.699	S	S	*	*			trans	-105.6	150.3	177.2	-59.8	159.9	0	0	0	108.5
345	S	28.5	Very low	31.3	Very low	122 Å²	122	117.8 Å²	117.8	85%	0.853	71%	0.71	S	S	*	*			trans	-137.8	147.6	159.5	-80.8	0	0	0	0	112.3
346	I	34.3	Very low	31.4	Very low	143 Å²	143	117.6 Å²	117.6	73%	0.733	70%	0.704	S	S	*	*			trans	-111.5	179.1	-178.7	-65.3	175.6	0	0	0	108.8
347	L	31.2	Very low	31	Very low	152 Å²	152	121.1 Å²	121.1	80%	0.796	71%	0.709	S	S	*	*			trans	103.8	138.7	158.8	-51.8	166.3	0	0	0	113.3
348	T	28.2	Very low	31.1	Very low	119 Å²	119	119.5 Å²	119.5	73%	0.73	73%	0.725	S	S	*	*			cis	-160.2	155.3	5.8	-12.3	0	0	0	0	112.7
349	R	33.5	Very low	31.3	Very low	233 Å²	233	121.6 Å²	121.6	88%	0.879	74%	0.735	S	S	*	*			trans	73	123.4	135.9	-157.7	176	-159.5	147.1	3.2	122.6
350	G	28.4	Very low	31.3	Very low	58 Å²	58	128.1 Å²	128.1	60%	0.598	76%	0.759	S	S	*	*			trans	84	155.7	144.4	0	0	0	0	0	118.1
351	D	27.1	Very low	31.1	Very low	148 Å²	148	128.5 Å²	128.5	79%	0.791	77%	0.773	S	S	*	*			cis	-161	157.4	-16.2	-84.5	-50.6	0	0	0	108.7
352	S	28.4	Very low	31.1	Very low	100 Å²	100	126.5 Å²	126.5	70%	0.699	78%	0.779	S	S	*	*			trans	64	122.1	142.9	-73.3	0	0	0	0	124.5
353	L	27.1	Very low	30.3	Very low	176 Å²	176	128.8 Å²	128.8	92%	0.921	79%	0.794	S	S	*	*			trans	77.4	140.3	134.2	-58.5	168	0	0	0	121.3
354	G	30.3	Very low	30.2	Very low	77 Å²	77	135.5 Å²	135.5	79%	0.794	80%	0.801	S	S	*	*			trans	145.5	80.4	150.3	0	0	0	0	0	118.4
355	S	28.5	Very low	29.5	Very low	115 Å²	115	130.9 Å²	130.9	80%	0.804	79%	0.793	S	S	*	*			trans	-60.5	165.3	150.9	-50.3	0	0	0	0	109.5
356	N	29	Very low	29.7	Very low	134 Å²	134	130.7 Å²	130.7	72%	0.717	79%	0.792	S	S	*	*			cis	-175.1	170.9	43.9	-144.2	-1.8	0	0	0	112.3
357	K	26.8	Very low	29.7	Very low	194 Å²	194	135.3 Å²	135.3	84%	0.843	80%	0.8	S	S	*	*			trans	6	148.4	150.8	-68.8	172.3	176.4	-176.9	0	121.1
358	G	27.9	Very low	29.6	Very low	80 Å²	80	132.6 Å²	132.6	83%	0.825	79%	0.793	S	S	*	*			trans	166.2	100.5	138.9	0	0	0	0	0	116.8
359	S	34.8	Very low	29.8	Very low	121 Å²	121	133.2 Å²	133.2	85%	0.846	80%	0.797	S	S	*	*			trans	-83.3	138.7	172.7	-47.3	0	0	0	0	112.6
360	Q	30.4	Very low	29.7	Very low	195 Å²	195	126.3 Å²	126.3	91%	0.911	79%	0.789	S	S	*	*			trans	172.4	141.1	141.8	-98.6	170	-11	0	0	107.3
361	G	29.3	Very low	30.8	Very low	71 Å²	71	129.2 Å²	129.2	73%	0.732	80%	0.798	S	S	*	*			cis	101.4	89.2	8.6	0	0	0	0	0	111.8
362	S	30.9	Very low	30.8	Very low	122 Å²	122	131 Å²	131	85%	0.853	80%	0.802	S	S	*	*			trans	-165.5	134.4	141.3	-162.3	0	0	0	0	113
363	C	29.5	Very low	30.9	Very low	109 Å²	109	133.7 Å²	133.7	74%	0.736	81%	0.805	S	S	*	*			trans	-84.6	163.4	178.8	46.8	0	0	0	0	113.9
364	K	27.8	Very low	31.9	Very low	218 Å²	218	131.3 Å²	131.3	95%	0.948	80%	0.8	S	S	*	*			trans	-178.8	142.8	134.6	-98.5	162.9	-177.5	179.6	0	107.8
365	G	28.5	Very low	31.8	Very low	62 Å²	62	130.1 Å²	130.1	64%	0.639	79%	0.788	S	S	*	*			cis	155.5	106.6	-2.3	0	0	0	0	0	111.3
366	S	31.8	Very low	31.6	Very low	118 Å²	118	133.8 Å²	133.8	83%	0.825	79%	0.792	S	S	*	*				47.6	138.2	128.6	-43.7	0	0	0	0	122.6
367	R	34.7	Very low	31.6	Very low	239 Å²	239	131.8 Å²	131.8	90%	0.902	79%	0.794	S	S	*	*				160.4	154.5	118.2	-87.7	-177.4	174.9	-155.1	-2.6	109.7
368	S	29.6	Very low	31.5	Very low	95 Å²	95	133.4 Å²	133.4	66%	0.664	80%	0.796	S	S	*	*			cis	-169.9	172.9	-2.6	-98.3	0	0	0	0	108.4
369	V	31.4	Very low	31.3	Very low	132 Å²	132	136.1 Å²	136.1	80%	0.8	79%	0.792	S	S	*	*			cis	-174.5	163.8	-43.2	113.2	0	0	0	0	109.2
370	A	32.4	Very low	30.8	Very low	88 Å²	88	134.6 Å²	134.6	73%	0.727	78%	0.781	S	S	*	*			trans	82.8	157.1	165.1	0	0	0	0	0	119
371	P	51.1	Low	30.6	Very low	119 Å²	119	134.9 Å²	134.9	77%	0.773	78%	0.78	S	S	*	*			cis	-121.8	-176.5	5	37.8	-21.3	0	0	0	114.6
372	Q	27	Very low	30.5	Very low	187 Å²	187	135.3 Å²	135.3	87%	0.874	77%	0.772	S	S	*	*			cis	-162.8	160	-37.5	-176.1	161.2	10.1	0	0	109.5
373	M	29.7	Very low	30.6	Very low	156 Å²	156	137.8 Å²	137.8	77%	0.768	77%	0.769	S	S	*	*			trans	-77.2	-176.5	-175.1	-73.7	-68.5	-76.1	0	0	114.1
374	P	49.2	Very low	30.6	Very low	126 Å²	126	143.1 Å²	143.1	82%	0.818	77%	0.774	S	S	*	*			cis	-138.6	-176.9	15.6	41.5	-20.6	0	0	0	116.8
375	G	26.8	Very low	30.6	Very low	52 Å²	52	139 Å²	139	54%	0.536	76%	0.762	S	S	.	*			cis	176.1	168	-7.4	0	0	0	0	0	114.9
376	E	24.5	Very low	30.6	Very low	191 Å²	191	142.7 Å²	142.7	89%	0.893	77%	0.767	S	S	*	*			trans	62.2	111.1	156.5	-42.9	-155.2	127.1	0	0	119.3
377	A	28.4	Very low	30.4	Very low	92 Å²	92	146.5 Å²	146.5	76%	0.76	76%	0.764	S	S	*	*				72.2	126.2	68	0	0	0	0	0	113.1
378	Y	25.4	Very low	31.3	Very low	228 Å²	228	140.3 Å²	140.3	89%	0.894	76%	0.755	S	S	*	*				-156.6	171.8	60.2	55.9	-94.4	0	0	0	117
379	D	24.3	Very low	31.2	Very low	137 Å²	137	143.7 Å²	143.7	73%	0.733	76%	0.764	S	S	*	*			trans	-56.9	146.1	-174.6	-124	-99.7	0	0	0	121.1
380	S	24.2	Very low	30.8	Very low	89 Å²	89	144.1 Å²	144.1	62%	0.622	76%	0.762	S	S	*	*				99.1	144.5	120.3	-105.8	0	0	0	0	127.5
381	F	26.9	Very low	30.6	Very low	202 Å²	202	145.2 Å²	145.2	89%	0.886	76%	0.76	S	S	*	*			trans	86.7	157.3	147.5	-98	-85.3	0	0	0	123.1
382	S	26.3	Very low	29.7	Very low	79 Å²	79	146.1 Å²	146.1	55%	0.552	76%	0.764	S	S	*	*			trans	-133	154.2	-155.2	-166.4	0	0	0	0	113.6
383	H	33.1	Very low	29.8	Very low	174 Å²	174	140.5 Å²	140.5	81%	0.806	76%	0.756	S	S	*	*			trans	86.4	139.4	154.1	-64.4	-51	0	0	0	124
384	R	29	Very low	29.8	Very low	222 Å²	222	137.7 Å²	137.7	84%	0.838	76%	0.757	S	S	*	*			trans	84.6	118.3	162.5	-64.5	-177	101.8	-172.4	3.7	116.5
385	N	29	Very low	28.8	Very low	131 Å²	131	137.9 Å²	137.9	70%	0.701	76%	0.756	S	S	*	*				68.1	129.3	71.5	-74.8	-44.3	0	0	0	111.8
386	L	27.7	Very low	29	Very low	140 Å²	140	143.2 Å²	143.2	73%	0.733	77%	0.767	S	S	*	*			cis	-151.6	176.4	21.8	-142.5	84.6	0	0	0	111.9
387	Y	26.8	Very low	29.2	Very low	197 Å²	197	142.2 Å²	142.2	77%	0.773	76%	0.762	S	S	*	*			trans	-57.9	-171.7	-178.4	-41.2	-82.8	0	0	0	117.5
388	P	55.3	Low	29.2	Very low	110 Å²	110	144.1 Å²	144.1	71%	0.714	76%	0.759	S	S	*	*			cis	-139.4	-178.8	-3.6	30.8	-6.5	0	0	0	117
389	I	25.9	Very low	29.4	Very low	166 Å²	166	138 Å²	138	85%	0.851	75%	0.75	S	S	*	*				161.3	155	127.1	-83.4	169.8	0	0	0	115
390	N	24.1	Very low	29.7	Very low	141 Å²	141	141 Å²	141	75%	0.754	76%	0.759	S	S	*	*			trans	-63	146.2	-172.1	-88.2	-3.3	0	0	0	120.6
391	T	28.9	Very low	29.8	Very low	110 Å²	110	141.9 Å²	141.9	68%	0.675	77%	0.765	S	S	*	*				56.6	152.2	113.4	-39.6	0	0	0	0	123.4
392	T	30.3	Very low	29.8	Very low	139 Å²	139	139.3 Å²	139.3	85%	0.853	76%	0.76	S	S	*	*			trans	93.9	137.5	167.5	68.3	0	0	0	0	116.5
393	G	29.1	Very low	29.7	Very low	69 Å²	69	141.5 Å²	141.5	71%	0.711	77%	0.769	S	S	*	*			cis	167.6	174.5	-8	0	0	0	0	0	113.4
394	A	30.4	Very low	29.3	Very low	97 Å²	97	140.3 Å²	140.3	80%	0.802	77%	0.768	S	S	*	*			trans	71	144.9	166.2	0	0	0	0	0	117.9
395	T	28.1	Very low	29	Very low	129 Å²	129	135.2 Å²	135.2	79%	0.791	76%	0.761	S	S	*	*			cis	-162.1	149.1	-0.9	5.2	0	0	0	0	113
396	H	31.3	Very low	28.9	Very low	164 Å²	164	136.2 Å²	136.2	76%	0.759	77%	0.765	S	S	*	*			trans	33.2	141.1	137.3	-103.1	-126	0	0	0	121.6
397	H	29.7	Very low	28.7	Very low	170 Å²	170	135.5 Å²	135.5	79%	0.787	77%	0.772	S	S	*	*			cis	-172.9	164.6	36.8	49.9	-72.5	0	0	0	108.9
398	N	27.2	Very low	28.8	Very low	133 Å²	133	131.1 Å²	131.1	71%	0.711	77%	0.77	S	S	*	*			cis	-147	177.6	7	-166.1	23.6	0	0	0	110.6
399	S	30.7	Very low	28.5	Very low	100 Å²	100	132.3 Å²	132.3	70%	0.699	78%	0.778	S	S	*	*			trans	-130.2	160.1	179.3	-57.7	0	0	0	0	114
400	H	29.8	Very low	28.8	Very low	200 Å²	200	132 Å²	132	93%	0.926	77%	0.773	S	S	*	*			trans	-107.3	165.2	161.8	-96.1	-121.9	0	0	0	111.5
401	S	27.2	Very low	29.1	Very low	107 Å²	107	130.4 Å²	130.4	75%	0.748	76%	0.764	S	S	*	*			trans	-122.5	171.9	-143.4	-168.4	0	0	0	0	115.9
402	L	26.3	Very low	29.2	Very low	148 Å²	148	132.9 Å²	132.9	78%	0.775	77%	0.772	S	S	*	*			trans	103.9	84.7	155.8	-54.7	-179.9	0	0	0	121.3
403	V	25.1	Very low	29.2	Very low	124 Å²	124	131.3 Å²	131.3	75%	0.752	76%	0.762	S	S	*	*				30.5	149.7	126.3	-110.5	0	0	0	0	125.6
404	L	23.1	Very low	29.3	Very low	150 Å²	150	134.6 Å²	134.6	79%	0.785	76%	0.763	S	S	*	*			trans	94.1	90.6	144.1	-111.3	80.7	0	0	0	122.1
405	V	23.8	Very low	29.3	Very low	114 Å²	114	136.7 Å²	136.7	69%	0.691	76%	0.759	S	S	*	*				48.6	118.5	108.8	-179.4	0	0	0	0	121.3
406	I	26.8	Very low	29.1	Very low	152 Å²	152	141 Å²	141	78%	0.779	76%	0.761	S	S	*	*			trans	64.4	124.4	146.7	-62.3	167.3	0	0	0	120.7
407	S	23.3	Very low	28.9	Very low	125 Å²	125	142.4 Å²	142.4	87%	0.874	77%	0.765	S	S	*	*				-162.7	143.7	128.7	-85	0	0	0	0	113.6
408	S	28.3	Very low	29	Very low	105 Å²	105	140.2 Å²	140.2	73%	0.734	76%	0.758	S	S	*	*			trans	-141	142.3	166.7	-175	0	0	0	0	105.8
409	P	48.5	Very low	29	Very low	136 Å²	136	142.4 Å²	142.4	88%	0.883	76%	0.761	S	S	*	*				-147	165.5	91.8	32.1	-11	0	0	0	115.7
410	E	33.4	Very low	28.9	Very low	158 Å²	158	147.7 Å²	147.7	74%	0.738	77%	0.767	S	S	*	*			trans	-119.2	167.2	-157.1	-147.7	-79	-66.7	0	0	114.5
411	N	29.6	Very low	28.7	Very low	108 Å²	108	143.4 Å²	143.4	58%	0.578	76%	0.759	S	S	*	*			trans	98.6	127.4	152.7	-144.5	-99.5	0	0	0	120.2
412	I	31.4	Very low	28.6	Very low	163 Å²	163	146.9 Å²	146.9	84%	0.836	76%	0.76	S	S	*	*			trans	-124.4	136.5	153.5	-78.3	-178.3	0	0	0	109.2
413	V	29.7	Very low	28.5	Very low	105 Å²	105	145.8 Å²	145.8	64%	0.636	76%	0.764	S	S	*	*			trans	-90.1	147.1	179.7	-168.2	0	0	0	0	110.4
414	L	31.9	Very low	28.6	Very low	139 Å²	139	143.5 Å²	143.5	73%	0.728	77%	0.766	S	S	*	*			trans	140.7	134.8	130.8	-75.9	172.7	0	0	0	115.1
415	L	30.4	Very low	28.9	Very low	140 Å²	140	142.3 Å²	142.3	73%	0.733	76%	0.764	S	S	*	*			trans	57.9	130.8	142.4	-56.7	165.1	0	0	0	117.5
416	W	24.6	Very low	29	Very low	219 Å²	219	145.8 Å²	145.8	83%	0.83	77%	0.77	S	S	*	*			cis	-157.7	165.6	39.3	-138.1	29	0	0	0	113.5	I418	W416-I418 HydrophobicContact CD2-CD1 4.41Å; W416-I418 HydrophobicContact CE3-CD1 3.58Å; W416-I418 HydrophobicContact CE3-CG1 4.13Å; W416-I418 HydrophobicContact CH2-CD1 4.16Å; W416-I418 HydrophobicContact CZ3-CD1 3.43Å; W416-I418 VanDerWaalsContact CZ3-CD1 3.43Å; W416-I418 HydrophobicContact CZ3-CG1 4.41Å
417	K	25.8	Very low	29.1	Very low	195 Å²	195	144.3 Å²	144.3	85%	0.848	77%	0.768	S	S	*	*			trans	-123.4	103.5	-175.6	175.6	172.7	179.3	168.5	0	110.5
418	I	31.9	Very low	29.2	Very low	123 Å²	123	143.1 Å²	143.1	63%	0.631	76%	0.76	S	S	*	*			trans	-136	108.8	169	-64.5	-173.5	0	0	0	106.9	W416	W416-I418 HydrophobicContact CD2-CD1 4.41Å; W416-I418 HydrophobicContact CE3-CD1 3.58Å; W416-I418 HydrophobicContact CE3-CG1 4.13Å; W416-I418 HydrophobicContact CH2-CD1 4.16Å; W416-I418 HydrophobicContact CZ3-CD1 3.43Å; W416-I418 VanDerWaalsContact CZ3-CD1 3.43Å; W416-I418 HydrophobicContact CZ3-CG1 4.41Å
419	K	28.1	Very low	29.3	Very low	179 Å²	179	143.2 Å²	143.2	78%	0.778	76%	0.761	S	S	*	*				75.7	98.8	75.3	-98.5	-174.7	175.8	-179.5	0	114.7
420	Y	27.8	Very low	28.4	Very low	211 Å²	211	141.4 Å²	141.4	83%	0.827	75%	0.751	S	S	*	*				58.1	140.6	126.7	-86.6	-91.6	0	0	0	122.6
421	C	25	Very low	28.3	Very low	111 Å²	111	143.2 Å²	143.2	75%	0.75	76%	0.757	S	S	*	*			trans	75.6	156.5	154.9	-70.5	0	0	0	0	118.3
422	K	25.8	Very low	29.1	Very low	179 Å²	179	143.6 Å²	143.6	78%	0.778	77%	0.765	S	S	*	*			cis	-176.7	139.2	-26.3	-171.4	171.3	-174.2	-177.6	0	106.6
423	C	24.8	Very low	28.9	Very low	125 Å²	125	139.1 Å²	139.1	85%	0.845	76%	0.759	S	S	*	*			trans	32.1	131.7	162	-57.7	0	0	0	0	121.4
424	G	26.7	Very low	28.8	Very low	77 Å²	77	142.4 Å²	142.4	79%	0.794	77%	0.772	S	S	*	*			trans	154.5	147.2	155.1	0	0	0	0	0	114.8
425	V	29.2	Very low	29.6	Very low	125 Å²	125	140.9 Å²	140.9	76%	0.758	77%	0.771	S	S	*	*			trans	-132.1	168.3	-174.7	-171.1	0	0	0	0	109.4
426	F	27.1	Very low	29.4	Very low	187 Å²	187	142 Å²	142	82%	0.82	78%	0.777	S	S	*	*			trans	82.4	145.3	170.4	-68.6	-90.6	0	0	0	117.1
427	V	28.2	Very low	29.3	Very low	120 Å²	120	137.8 Å²	137.8	73%	0.727	78%	0.775	S	S	*	*			cis	-171.7	167.8	-23.9	111.5	0	0	0	0	109.4
428	S	25.7	Very low	29.3	Very low	101 Å²	101	133.9 Å²	133.9	71%	0.706	77%	0.772	S	S	*	*			trans	131.6	108.2	158.4	-63.3	0	0	0	0	112.3
429	S	29.1	Very low	30.3	Very low	107 Å²	107	133.8 Å²	133.8	75%	0.748	78%	0.779	S	S	*	*				81.6	141.4	73.2	71.9	0	0	0	0	114.7
430	S	30.5	Very low	30.2	Very low	97 Å²	97	131.8 Å²	131.8	68%	0.678	78%	0.777	S	S	*	*			cis	-171.6	168.8	-13.8	-91.4	0	0	0	0	110.5
431	F	30.1	Very low	30	Very low	196 Å²	196	127.5 Å²	127.5	86%	0.86	77%	0.773	S	S	*	*			trans	74.2	160.5	163.9	-66.8	-67.1	0	0	0	120.5
432	P	47.2	Very low	30.1	Very low	117 Å²	117	126.8 Å²	126.8	76%	0.76	77%	0.768	S	S	*	*			cis	-139.4	154.4	-31.7	35.4	-17.6	0	0	0	117.3
433	G	27	Very low	31.4	Very low	69 Å²	69	123.8 Å²	123.8	71%	0.711	77%	0.767	S	S	*	*			trans	66.2	109.7	130.7	0	0	0	0	0	125.8
434	L	27.7	Very low	33	Very low	173 Å²	173	122.2 Å²	122.2	91%	0.906	76%	0.755	S	S	*	*				54.6	162.4	127.8	-69	-176.4	0	0	0	122.9
435	P	48.7	Very low	34.6	Very low	108 Å²	108	124.3 Å²	124.3	70%	0.701	75%	0.754	S	S	*	*			cis	-138.7	177.8	-14.7	39.1	-20	0	0	0	117.6
436	L	25.8	Very low	34.7	Very low	164 Å²	164	122.9 Å²	122.9	86%	0.859	75%	0.75	S	S	*	*			trans	81.4	137.2	141.7	-141.1	70.7	0	0	0	125.1
437	V	24.1	Very low	34.8	Very low	130 Å²	130	120 Å²	120	79%	0.788	75%	0.748	S	S	*	*			trans	87.8	137.5	149	101.2	0	0	0	0	122
438	S	25.6	Very low	34.8	Very low	113 Å²	113	118.8 Å²	118.8	79%	0.79	75%	0.745	S	S	*	*			trans	-174.9	-177.1	-177.7	-72.7	0	0	0	0	107.4
439	P	52	Low	35	Very low	120 Å²	120	121.3 Å²	121.3	78%	0.779	75%	0.745	S	S	*	*			cis	-138.1	-140.8	4.2	44.7	-23.5	0	0	0	113.4
440	D	26	Very low	34.9	Very low	137 Å²	137	120.3 Å²	120.3	73%	0.733	74%	0.738	S	S	*	*			trans	98	120	151.7	-139.1	-99.9	0	0	0	120.8
441	V	23.6	Very low	34.9	Very low	121 Å²	121	118.6 Å²	118.6	73%	0.733	73%	0.726	S	S	*	*				-176.4	136.7	110.4	146.4	0	0	0	0	111.4	P443	V441-P443 HydrophobicContact CG1-CG 4.42Å
442	C	26.4	Very low	35.1	Very low	97 Å²	97	119 Å²	119	66%	0.655	72%	0.722	S	S	*	*			trans	-105.3	-72.2	172.2	179.1	0	0	0	0	110.7	P444	C442-P444 VanDerWaalsContact C-CD 3.5Å; C442-P444 PolarHBondContact SG-O 3.43Å; C442-P444 VanDerWaalsContact SG-O 3.32Å
443	P	53.8	Low	34.2	Very low	115 Å²	115	118.2 Å²	118.2	75%	0.747	72%	0.719	S	S	*	*			cis	-81.8	-23.7	-27.8	-19.4	35.3	0	0	0	120.1	V441	V441-P443 HydrophobicContact CG1-CG 4.42Å
444	P	58.3	Low	34.3	Very low	93 Å²	93	122.8 Å²	122.8	60%	0.604	73%	0.726	S	S	*	*			trans	-94.6	171.4	-161.8	39.3	-39.9	0	0	0	114.8	C442	C442-P444 VanDerWaalsContact C-CD 3.5Å; C442-P444 PolarHBondContact SG-O 3.43Å; C442-P444 VanDerWaalsContact SG-O 3.32Å
445	P	61.2	Low	34.3	Very low	120 Å²	120	121.2 Å²	121.2	78%	0.779	72%	0.718	S	S	*	*			cis	-127.2	-64.5	5.4	32.3	-13.6	0	0	0	117.1
446	S	30.1	Very low	33.8	Very low	95 Å²	95	121 Å²	121	66%	0.664	72%	0.717	S	S	*	*			trans	-176.7	177.4	-160.4	55.9	0	0	0	0	107.6
447	V	29.8	Very low	33.8	Very low	128 Å²	128	116.2 Å²	116.2	78%	0.776	70%	0.696	S	S	*	*			cis	-135.2	-172.7	21.6	-68.9	0	0	0	0	109.4
448	S	28.3	Very low	34.9	Very low	94 Å²	94	115.1 Å²	115.1	66%	0.657	69%	0.692	S	S	*	*			cis	-157.1	-171	13.4	-155.5	0	0	0	0	112.9
449	Q	29.3	Very low	35.7	Very low	154 Å²	154	114.2 Å²	114.2	72%	0.72	68%	0.683	S	S	*	*			trans	-145.5	161.7	176.4	-80.5	-56.9	-62.1	0	0	109.8
450	S	27.8	Very low	34.4	Very low	86 Å²	86	117.1 Å²	117.1	60%	0.601	69%	0.687	S	S	*	*			cis	-159.4	-173.3	4.4	-140.2	0	0	0	0	109.1
451	S	30.6	Very low	35.3	Very low	60 Å²	60	116 Å²	116	42%	0.42	69%	0.687	S	S	.	*				-172	164.2	-73.1	65	0	0	0	0	109.2
452	R	33	Very low	36.2	Very low	204 Å²	204	115 Å²	115	77%	0.77	68%	0.683	S	S	*	*			trans	73.9	154.8	175.6	-59.6	149	-68.3	144	13.6	114.9
453	S	29.2	Very low	36.1	Very low	101 Å²	101	119.7 Å²	119.7	71%	0.706	70%	0.695	S	S	*	*			cis	-171	-177.4	-18	-94.2	0	0	0	0	110
454	L	30	Very low	34.9	Very low	165 Å²	165	122.2 Å²	122.2	86%	0.864	70%	0.697	S	S	*	*			trans	96	152.3	158.6	-51.2	-179.2	0	0	0	118.6
455	L	27.3	Very low	33.7	Very low	141 Å²	141	123.2 Å²	123.2	74%	0.738	70%	0.703	S	S	*	*			trans	-159.7	173.6	-176.4	-72	-178.3	0	0	0	106.8	P562	L455-P562 HydrophobicContact CD2-CG 4.04Å
456	P	36.8	Very low	31.9	Very low	104 Å²	104	124.7 Å²	124.7	68%	0.675	70%	0.7	S	S	*	*			cis	-127.3	-160.4	2.3	44.4	-27.8	0	0	0	112.6	P562	P456-P562 HydrophobicContact CB-CB 3.93Å; P456-P562 HydrophobicContact CB-CG 3.78Å
457	C	27.4	Very low	32.8	Very low	62 Å²	62	126.7 Å²	126.7	42%	0.419	71%	0.711	S	S	.	*			trans	-146.8	166.1	165.9	-84.6	0	0	0	0	110.6	P562 P563	C457-P562 VanDerWaalsContact O-CB 3.31Å; C457-P562 WeakPolarHBondContact O-CB 3.29Å; C457-P563 WeakPolarHBondContact CB-O 3.38Å
458	P	45.9	Very low	32.5	Very low	107 Å²	107	130 Å²	130	70%	0.695	72%	0.717	S	S	*	*			trans	-99.3	159.8	-173.9	37.8	-36	0	0	0	115.4	P563	P458-P563 WeakPolarHBondContact O-CG 3.35Å
459	P	42.9	Very low	32.4	Very low	94 Å²	94	129.9 Å²	129.9	61%	0.61	72%	0.722	S	S	*	*			trans	-100.9	172.2	170.5	39.5	-33.9	0	0	0	113.9	P563	P459-P563 HydrophobicContact CB-CG 4.26Å
460	Q	24.9	Very low	33.4	Very low	182 Å²	182	128.6 Å²	128.6	85%	0.85	73%	0.728	S	S	*	*			trans	66	172.8	175.3	-53.8	-169.7	17.7	0	0	114.1
461	P	44	Very low	34.1	Very low	114 Å²	114	130 Å²	130	74%	0.74	73%	0.734	S	S	*	*			cis	-114.1	-149.5	-5.9	45.7	-31.8	0	0	0	110
462	P	42.5	Very low	34.1	Very low	100 Å²	100	135.1 Å²	135.1	65%	0.649	75%	0.752	S	S	*	*			cis	-137.1	131.2	-10.5	34.3	-12.6	0	0	0	117.5
463	Q	26	Very low	34.2	Very low	194 Å²	194	131 Å²	131	91%	0.907	75%	0.749	S	S	*	*			trans	59.8	-160.5	143.4	-48.9	-171.8	118.8	0	0	118.9
464	Q	26.6	Very low	34.3	Very low	169 Å²	169	130.1 Å²	130.1	79%	0.79	75%	0.748	S	S	*	*			trans	-156.3	173.2	-168.5	-75	-166.2	-32.1	0	0	107.9
465	P	35	Very low	34.2	Very low	113 Å²	113	130.4 Å²	130.4	73%	0.734	75%	0.75	S	S	*	*			cis	-135.5	-133.7	16.7	44.4	-23.7	0	0	0	115.2
466	Q	22.5	Very low	34	Very low	151 Å²	151	131.4 Å²	131.4	71%	0.706	76%	0.755	S	S	*	*			trans	-135.1	160.1	-166.1	-53.6	79.9	-124.9	0	0	114.7
467	P	49.2	Very low	34.3	Very low	138 Å²	138	131.9 Å²	131.9	90%	0.896	76%	0.758	S	S	*	*			trans	-105.5	-175.7	-177.4	41.4	-36.5	0	0	0	116.1
468	Q	23.9	Very low	34.1	Very low	196 Å²	196	135.6 Å²	135.6	92%	0.916	78%	0.779	S	S	*	*			trans	-145.7	157.1	-176.2	-163.9	-177	20	0	0	113.6
469	A	25.5	Very low	34.3	Very low	92 Å²	92	135.9 Å²	135.9	76%	0.76	78%	0.781	S	S	*	*			trans	-154.7	150.8	167.6	0	0	0	0	0	113.2
470	P	49.7	Very low	33.4	Very low	128 Å²	128	139.8 Å²	139.8	83%	0.831	79%	0.791	S	S	*	*			trans	-118.1	155.4	-177.8	40.4	-31.7	0	0	0	116.6
471	P	42.6	Very low	33.4	Very low	114 Å²	114	139 Å²	139	74%	0.74	79%	0.788	S	S	*	*			trans	-114.3	164	175.6	40.5	-32.8	0	0	0	115.9
472	Q	31.7	Very low	32.5	Very low	168 Å²	168	141.6 Å²	141.6	79%	0.785	79%	0.789	S	S	*	*			trans	-158.2	157.2	176.2	-86.1	-51.5	-72.7	0	0	112.8
473	T	33.9	Very low	32.4	Very low	117 Å²	117	142.3 Å²	142.3	72%	0.718	79%	0.794	S	S	*	*			cis	-114.9	-82	-14.7	-55.8	0	0	0	0	111.1
474	A	31.4	Very low	32.4	Very low	84 Å²	84	142.2 Å²	142.2	69%	0.694	80%	0.796	S	S	*	*			cis	-170	158.2	-19.5	0	0	0	0	0	107
475	L	27.9	Very low	32.4	Very low	171 Å²	171	137.4 Å²	137.4	90%	0.895	79%	0.792	S	S	*	*			cis	-161.2	159.9	-18.3	-113	171.7	0	0	0	107.8
476	L	23.5	Very low	32	Very low	162 Å²	162	139.8 Å²	139.8	85%	0.848	80%	0.798	S	S	*	*			trans	-156.4	129.5	-169.6	-179.4	60.4	0	0	0	115
477	P	42.9	Very low	32.4	Very low	114 Å²	114	140.3 Å²	140.3	74%	0.74	80%	0.801	S	S	*	*			trans	-121.9	94.3	-179.2	39.1	-26.9	0	0	0	117.1
478	T	24.1	Very low	31.2	Very low	139 Å²	139	141.1 Å²	141.1	85%	0.853	79%	0.794	S	S	*	*			trans	54.2	-129.4	147.9	47.3	0	0	0	0	121.3
479	P	48.7	Very low	31.4	Very low	114 Å²	114	138.7 Å²	138.7	74%	0.74	79%	0.786	S	S	*	*				-130.2	173.6	-126.6	40	-20.5	0	0	0	118.4
480	Q	25.5	Very low	31.5	Very low	176 Å²	176	138.3 Å²	138.3	82%	0.822	78%	0.783	S	S	*	*			trans	-151.4	174	170.5	-102.4	-61.8	-6.4	0	0	112.7
481	Q	24.6	Very low	30.3	Very low	166 Å²	166	142 Å²	142	78%	0.776	79%	0.789	S	S	*	*			trans	-139.7	156.1	-175.1	-83.4	-70.5	7.9	0	0	117.2
482	H	25.8	Very low	29.7	Very low	168 Å²	168	140.2 Å²	140.2	78%	0.778	79%	0.791	S	S	*	*			trans	-95.9	-161	-176.2	-59.9	-92.8	0	0	0	111.1
483	P	40.3	Very low	29.5	Very low	114 Å²	114	139.8 Å²	139.8	74%	0.74	80%	0.795	S	S	*	*			cis	-152.9	-176.7	8.7	47.1	-25.4	0	0	0	120.6
484	M	25.8	Very low	29.1	Very low	192 Å²	192	141.5 Å²	141.5	95%	0.946	79%	0.794	S	S	*	*			trans	56.7	141.6	144.3	-123.5	73.6	163.9	0	0	124.1
485	G	25.8	Very low	29.2	Very low	69 Å²	69	145 Å²	145	71%	0.711	80%	0.801	S	S	*	*			trans	157.4	148.4	152.9	0	0	0	0	0	117.8
486	N	27.3	Very low	29.2	Very low	162 Å²	162	141.3 Å²	141.3	87%	0.866	80%	0.795	S	S	*	*			trans	-123.5	-173.3	-174.6	-54.2	-30.8	0	0	0	110.8
487	H	29.6	Very low	30.1	Very low	163 Å²	163	139.1 Å²	139.1	76%	0.755	79%	0.79	S	S	*	*			cis	-167.6	160.1	17.9	67.1	-36.8	0	0	0	113.4
488	M	24.1	Very low	29.5	Very low	155 Å²	155	142.9 Å²	142.9	76%	0.764	80%	0.798	S	S	*	*			trans	59.3	141.5	138.5	-72	-72.6	-93.1	0	0	124.8
489	I	29.3	Very low	29.7	Very low	145 Å²	145	145.4 Å²	145.4	74%	0.744	80%	0.797	S	S	*	*			trans	97	108.7	142.5	-74.3	160.6	0	0	0	122.6
490	A	27.5	Very low	28.7	Very low	84 Å²	84	145.7 Å²	145.7	69%	0.694	80%	0.797	S	S	*	*			trans	73.9	123.2	130.6	0	0	0	0	0	127
491	Q	24.8	Very low	28.9	Very low	204 Å²	204	144.8 Å²	144.8	95%	0.953	79%	0.793	S	S	*	*			trans	66.6	135.7	133.6	-73	-162.9	-22.5	0	0	124.2
492	G	29.2	Very low	29	Very low	77 Å²	77	144.2 Å²	144.2	79%	0.794	79%	0.792	S	S	*	*			trans	155.2	111.9	157.3	0	0	0	0	0	114.9
493	D	26.8	Very low	29	Very low	160 Å²	160	142.6 Å²	142.6	86%	0.856	79%	0.794	S	S	*	*			trans	-53.5	162.1	162.9	-90.4	-96.8	0	0	0	112.2
494	E	27.4	Very low	28.6	Very low	153 Å²	153	144.4 Å²	144.4	72%	0.715	80%	0.797	S	S	*	*			cis	-163.6	171.1	32	-155.1	-175.6	73.4	0	0	111.2
495	L	31.7	Very low	28.9	Very low	157 Å²	157	140.1 Å²	140.1	82%	0.822	79%	0.786	S	S	*	*			trans	81.3	142.6	160.4	-54.7	177.6	0	0	0	121
496	A	29.2	Very low	29.1	Very low	94 Å²	94	147.2 Å²	147.2	78%	0.777	79%	0.791	S	S	*	*			trans	-131.4	-165.6	-163.3	0	0	0	0	0	111.3
497	P	41.5	Very low	29.3	Very low	116 Å²	116	147.5 Å²	147.5	75%	0.753	79%	0.787	S	S	*	*				-127.5	169.9	-56.4	33.3	-19.4	0	0	0	112.7
498	Q	30.2	Very low	29.2	Very low	192 Å²	192	143 Å²	143	90%	0.897	79%	0.786	S	S	*	*			trans	-163.1	147.6	135.7	-89	-131.4	-44.5	0	0	113.6
499	F	29	Very low	29.9	Very low	192 Å²	192	140.3 Å²	140.3	84%	0.842	78%	0.782	S	S	*	*			trans	-37.5	147	178.2	-85.9	-122.4	0	0	0	116.3
500	T	27.7	Very low	29.9	Very low	120 Å²	120	139.3 Å²	139.3	74%	0.736	79%	0.787	S	S	*	*				-173	144.9	72.7	-58.3	0	0	0	0	110.9
501	Q	28.8	Very low	29.9	Very low	157 Å²	157	142.1 Å²	142.1	73%	0.734	79%	0.786	S	S	*	*			trans	155.9	166	140.4	-84.2	-73.8	22.4	0	0	113.2
502	M	26.7	Very low	30	Very low	155 Å²	155	139.6 Å²	139.6	76%	0.764	78%	0.78	S	S	*	*			trans	-72.4	152.7	-174.9	-60	167	-98.5	0	0	114.8
503	T	27.1	Very low	30.7	Very low	134 Å²	134	139.9 Å²	139.9	82%	0.822	77%	0.767	S	S	*	*				152.7	144.1	124.9	-62.1	0	0	0	0	114.5
504	L	31.9	Very low	30.9	Very low	151 Å²	151	140.4 Å²	140.4	79%	0.791	77%	0.765	S	S	*	*			trans	-34.5	133.9	178.9	-65.2	153.5	0	0	0	120.8
505	S	30.5	Very low	31.9	Very low	102 Å²	102	138.6 Å²	138.6	71%	0.713	77%	0.766	S	S	*	*			trans	43	133	134.6	66.9	0	0	0	0	123.7
506	R	30.4	Very low	33.4	Very low	218 Å²	218	136.7 Å²	136.7	82%	0.823	76%	0.763	S	S	*	*				-171.9	177.7	117.1	-107.8	-177.8	159.4	-73.3	-7	115.3
507	Q	31.7	Very low	34.3	Very low	168 Å²	168	137.6 Å²	137.6	79%	0.785	76%	0.761	S	S	*	*			trans	-91.6	172.5	-163	-53.9	162.6	-86.2	0	0	116.4
508	G	28.3	Very low	33.5	Very low	70 Å²	70	138.6 Å²	138.6	72%	0.722	76%	0.757	S	S	*	*			trans	153.7	112	161.1	0	0	0	0	0	109.7
509	S	39.1	Very low	33.5	Very low	98 Å²	98	139.7 Å²	139.7	69%	0.685	76%	0.755	S	S	*	*			cis	81.1	129.7	37.6	-132.7	0	0	0	0	114.7	E511	S509-E511 VanDerWaalsContact CB-OE1 3.3Å; S509-E511 WeakPolarHBondContact CB-OE1 3.43Å; S509-E511 WeakPolarHBondContact CB-OE2 3.17Å; S509-E511 PolarHBondContact OG-OE1 3.26Å
510	S	28.7	Very low	33.3	Very low	123 Å²	123	138.7 Å²	138.7	86%	0.86	75%	0.753	S	S	*	*			trans	-179.3	121.7	160.8	-173.9	0	0	0	0	111.5
511	E	28.1	Very low	33.8	Very low	143 Å²	143	137.7 Å²	137.7	67%	0.668	75%	0.748	S	S	*	*			cis	-158.2	-177.7	-41.8	-133.2	64.7	-75.2	0	0	110.5	S509	S509-E511 VanDerWaalsContact CB-OE1 3.3Å; S509-E511 WeakPolarHBondContact CB-OE1 3.43Å; S509-E511 WeakPolarHBondContact CB-OE2 3.17Å; S509-E511 PolarHBondContact OG-OE1 3.26Å
512	N	25.8	Very low	34.8	Very low	152 Å²	152	135.4 Å²	135.4	81%	0.813	75%	0.747	S	S	*	*			trans	-107.7	136.1	-172.7	-160.4	107.6	0	0	0	113.8
513	P	44.8	Very low	36.3	Very low	83 Å²	83	133.2 Å²	133.2	54%	0.539	74%	0.744	S	S	.	*			trans	-105.5	-170.9	-179.4	42.5	-37.7	0	0	0	114.8
514	E	30.1	Very low	36.6	Very low	171 Å²	171	133.1 Å²	133.1	80%	0.799	74%	0.744	S	S	*	*			trans	52.2	85.5	148.5	-71.3	158.1	100.7	0	0	121.3
515	P	49.3	Very low	36.5	Very low	114 Å²	114	132.1 Å²	132.1	74%	0.74	74%	0.743	S	S	*	*				-67.6	173.2	126.9	35.4	-36.5	0	0	0	110.8
516	P	63	Low	36.5	Very low	117 Å²	117	134.9 Å²	134.9	76%	0.76	75%	0.749	S	S	*	*			cis	-97.7	-144.3	8.6	44.5	-39.5	0	0	0	110.6
517	P	47.2	Very low	36.4	Very low	113 Å²	113	128.9 Å²	128.9	73%	0.734	74%	0.741	S	S	*	*			cis	-128.7	178.5	-15	41.6	-25.3	0	0	0	114.3
518	M	26.3	Very low	36.2	Very low	137 Å²	137	129.5 Å²	129.5	68%	0.675	74%	0.744	S	S	*	*			cis	-155.7	115.4	-23.6	-109.3	-72.4	-79.3	0	0	107.8
519	Y	28.4	Very low	36.1	Very low	216 Å²	216	134 Å²	134	85%	0.847	75%	0.746	S	S	*	*				175.8	156.4	119.9	-105.2	-81.2	0	0	0	111.3
520	Q	24.6	Very low	36.3	Very low	170 Å²	170	133.9 Å²	133.9	79%	0.794	74%	0.743	S	S	*	*			trans	-135.7	-177.2	-165.4	-117.7	-162.1	26.6	0	0	107.4
521	P	40.2	Very low	37.3	Very low	100 Å²	100	133.3 Å²	133.3	65%	0.649	74%	0.736	S	S	*	*			cis	-133.8	-119.6	-20.9	29.3	-2.9	0	0	0	114.4
522	P	48.6	Very low	38	Very low	108 Å²	108	131.5 Å²	131.5	70%	0.701	74%	0.736	S	S	*	*				-134	-143.9	-109.5	44.3	-22.1	0	0	0	114.6
523	P	58.2	Low	38.1	Very low	109 Å²	109	132.6 Å²	132.6	71%	0.708	74%	0.737	S	S	*	*				-128	-178.8	-59.3	28.6	-6.5	0	0	0	115.3
524	T	32.8	Very low	38	Very low	133 Å²	133	134.1 Å²	134.1	82%	0.816	75%	0.746	S	S	*	*			trans	-160.3	139.9	170.1	-73.8	0	0	0	0	109.4
525	V	31	Very low	37.9	Very low	129 Å²	129	128.4 Å²	128.4	78%	0.782	73%	0.733	S	S	*	*			cis	98	128.1	12.5	178.5	0	0	0	0	115
526	L	31	Very low	36.9	Very low	160 Å²	160	133 Å²	133	84%	0.838	74%	0.737	S	S	*	*			cis	-159	154.6	-24.7	-179.8	64.3	0	0	0	110
527	S	28.5	Very low	35.4	Very low	92 Å²	92	133.7 Å²	133.7	64%	0.643	73%	0.734	S	S	*	*			trans	-45.8	156.1	173.4	-169.7	0	0	0	0	118.4
528	Q	26.5	Very low	34.4	Very low	182 Å²	182	136.3 Å²	136.3	85%	0.85	74%	0.738	S	S	*	*				-176.8	154.3	121.3	-94.7	-76.9	75	0	0	115.3
529	H	26	Very low	34.3	Very low	165 Å²	165	133.4 Å²	133.4	76%	0.764	74%	0.736	S	S	*	*			trans	-99.1	-174.1	-179.2	-149.5	-143.5	0	0	0	109.6
530	P	42.8	Very low	34.4	Very low	95 Å²	95	129.1 Å²	129.1	62%	0.617	73%	0.733	S	S	*	*			cis	-129.9	-125.1	-33.1	23.6	3.5	0	0	0	113.8
531	P	50	Low	34.3	Very low	110 Å²	110	128 Å²	128	71%	0.714	74%	0.738	S	S	*	*				-118.3	-147	-107.1	44.4	-25.2	0	0	0	111.9
532	P	44.1	Very low	33.7	Very low	105 Å²	105	126.6 Å²	126.6	68%	0.682	74%	0.741	S	S	*	*			cis	-138.3	164.2	-14.1	40.6	-22.6	0	0	0	117.8
533	Q	28	Very low	32.6	Very low	176 Å²	176	129.7 Å²	129.7	82%	0.822	75%	0.746	S	S	*	*			trans	48.7	-176	135.1	-58.2	-71.5	11	0	0	121.4
534	P	41.2	Very low	31.7	Very low	114 Å²	114	129.9 Å²	129.9	74%	0.74	75%	0.747	S	S	*	*				-131.9	-178.8	-67.7	40.4	-25.5	0	0	0	114.6
535	G	29.1	Very low	31.2	Very low	51 Å²	51	130.5 Å²	130.5	53%	0.526	75%	0.745	S	S	.	*			trans	116.4	107.6	135.7	0	0	0	0	0	122.5
536	Y	27.1	Very low	31.7	Very low	210 Å²	210	129.6 Å²	129.6	82%	0.824	74%	0.741	S	S	*	*				61.6	143.9	122.4	64.5	-118.4	0	0	0	126.4
537	I	31.8	Very low	32.8	Very low	133 Å²	133	127.2 Å²	127.2	68%	0.682	74%	0.735	S	S	*	*			trans	87.9	123.1	136.3	-79.6	161.2	0	0	0	123.9
538	M	25.6	Very low	33.8	Very low	167 Å²	167	128 Å²	128	82%	0.823	74%	0.739	S	S	*	*			trans	55.3	126.6	141	-65.8	-164.5	-61.5	0	0	126.7
539	A	25.5	Very low	34.2	Very low	76 Å²	76	125.4 Å²	125.4	63%	0.628	74%	0.74	S	S	*	*				73.2	113.9	118.4	0	0	0	0	0	125.4
540	T	29.3	Very low	34.3	Very low	127 Å²	127	121 Å²	121	78%	0.779	74%	0.74	S	S	*	*				78.5	153.1	129.7	61.7	0	0	0	0	123.3
541	T	24.3	Very low	33.6	Very low	147 Å²	147	127.4 Å²	127.4	90%	0.902	75%	0.753	S	S	*	*			trans	76.1	145.4	173	75.9	0	0	0	0	116.3
542	G	26.2	Very low	32.6	Very low	69 Å²	69	129 Å²	129	71%	0.711	75%	0.751	S	S	*	*			cis	163.3	130.6	-15.4	0	0	0	0	0	114.6
543	Q	26.1	Very low	32.7	Very low	174 Å²	174	129 Å²	129	81%	0.813	75%	0.751	S	S	*	*			trans	68	161.6	167.3	-63.7	-65.5	-36.9	0	0	117.3
544	P	38.2	Very low	32.9	Very low	112 Å²	112	126.2 Å²	126.2	73%	0.727	74%	0.742	S	S	*	*			cis	-136.2	-103.5	17.3	39.1	-15.7	0	0	0	118.2
545	L	23.9	Very low	32.7	Very low	147 Å²	147	126.5 Å²	126.5	77%	0.77	74%	0.742	S	S	*	*			trans	-171	-174.8	-151.7	-93.4	164.7	0	0	0	108
546	P	40.8	Very low	32.7	Very low	109 Å²	109	127 Å²	127	71%	0.708	75%	0.747	S	S	*	*			cis	-131.5	-131.8	-18.3	27.4	-0.3	0	0	0	112.6
547	P	53.8	Low	33.3	Very low	110 Å²	110	125.6 Å²	125.6	71%	0.714	75%	0.748	S	S	*	*				-114.5	-158	-91.8	41.4	-23.1	0	0	0	113.1
548	P	50.4	Low	34	Very low	110 Å²	110	123.9 Å²	123.9	71%	0.714	75%	0.745	S	S	*	*			cis	-145	157.5	4.9	42.4	-21.1	0	0	0	122.4
549	S	33.9	Very low	34.3	Very low	126 Å²	126	124.6 Å²	124.6	88%	0.881	75%	0.746	S	S	*	*			trans	61.7	139.3	131.3	-63	0	0	0	0	126.9
550	G	27.9	Very low	35.2	Very low	74 Å²	74	126.3 Å²	126.3	76%	0.763	75%	0.751	S	S	*	*			trans	-175.9	43.3	166.9	0	0	0	0	0	120.8
551	Y	28.2	Very low	36.1	Very low	229 Å²	229	126 Å²	126	90%	0.898	75%	0.751	S	S	*	*			trans	61	102.9	157.1	-79.9	-91	0	0	0	124.9
552	Q	29.8	Very low	37	Very low	143 Å²	143	121.3 Å²	121.3	67%	0.668	72%	0.723	S	S	*	*				16.8	165.4	116.8	-91.5	-126	-60	0	0	123.8	N554	Q552-N554 PolarHBondContact NE2-OD1 2.65Å
553	P	46.4	Very low	38.2	Very low	105 Å²	105	120.6 Å²	120.6	68%	0.682	71%	0.706	S	S	*	*			cis	-145.5	162.8	26.4	41.3	-20.5	0	0	0	122.5
554	N	32.5	Very low	39.2	Very low	117 Å²	117	118.1 Å²	118.1	63%	0.626	71%	0.705	S	S	*	*			trans	48.4	151.4	141	-72.2	6.6	0	0	0	124.4	Q552	Q552-N554 PolarHBondContact NE2-OD1 2.65Å
555	T	35.5	Very low	39.5	Very low	120 Å²	120	117.9 Å²	117.9	74%	0.736	70%	0.704	S	S	*	*			cis	-170.4	155.3	-4.3	22.5	0	0	0	0	108.9
556	G	29.6	Very low	40.5	Very low	62 Å²	62	116.8 Å²	116.8	64%	0.639	71%	0.705	S	S	*	*			cis	171.8	153.9	-9	0	0	0	0	0	114.7
557	H	38.8	Very low	41.4	Very low	180 Å²	180	117.5 Å²	117.5	83%	0.833	71%	0.71	S	S	*	*			trans	71	155.5	143.2	-60.8	-52.9	0	0	0	122.6
558	P	47.5	Very low	40.6	Very low	98 Å²	98	117 Å²	117	64%	0.636	71%	0.709	S	S	*	*				-143.5	-179.3	-71.5	32.3	-8.9	0	0	0	116.9
559	H	31	Very low	39.7	Very low	181 Å²	181	120.2 Å²	120.2	84%	0.838	72%	0.715	S	S	*	*			trans	126.9	152	147.8	-71.6	-71.4	0	0	0	119.8
560	P	44.4	Very low	39.6	Very low	113 Å²	113	120.3 Å²	120.3	73%	0.734	71%	0.71	S	S	*	*			trans	-116.5	173.7	-165.4	43.5	-32.8	0	0	0	117.1
561	P	48.5	Very low	39.7	Very low	119 Å²	119	123 Å²	123	77%	0.773	71%	0.711	S	S	*	*			trans	-97.2	172	-177.3	38.5	-37.1	0	0	0	116.9
562	P	42.5	Very low	39.8	Very low	49 Å²	49	119 Å²	119	32%	0.318	70%	0.704	S	S	.	*			trans	-106.7	168.3	-172.5	39.8	-35.2	0	0	0	117.3	L455 P456 C457	L455-P562 HydrophobicContact CD2-CG 4.04Å; P456-P562 HydrophobicContact CB-CB 3.93Å; P456-P562 HydrophobicContact CB-CG 3.78Å; C457-P562 VanDerWaalsContact O-CB 3.31Å; C457-P562 WeakPolarHBondContact O-CB 3.29Å
563	P	51.7	Low	39.7	Very low	55 Å²	55	121.8 Å²	121.8	36%	0.357	72%	0.717	S	S	.	*			trans	-99	170.5	179.2	40	-37.8	0	0	0	116	C457 P458 P459	C457-P563 WeakPolarHBondContact CB-O 3.38Å; P458-P563 WeakPolarHBondContact O-CG 3.35Å; P459-P563 HydrophobicContact CB-CG 4.26Å
564	P	46.8	Very low	39	Very low	121 Å²	121	121 Å²	121	79%	0.786	72%	0.72	S	S	*	*			trans	-103.3	165.1	-179.5	39.2	-35.7	0	0	0	116.5
565	P	45.5	Very low	39.8	Very low	108 Å²	108	121.1 Å²	121.1	70%	0.701	73%	0.726	S	S	*	*			trans	-105.1	165.1	-176.5	39.9	-36	0	0	0	116.8
566	P	44	Very low	40.5	Very low	123 Å²	123	121.2 Å²	121.2	80%	0.799	73%	0.729	S	S	*	*			trans	-108.8	164.8	-179	40.6	-35.2	0	0	0	116.6
567	P	61.5	Low	41.4	Very low	124 Å²	124	123.5 Å²	123.5	81%	0.805	73%	0.733	S	S	*	*			trans	-104.9	165	178.6	39.8	-35.3	0	0	0	115.9
568	S	35.4	Very low	42.2	Very low	101 Å²	101	120.9 Å²	120.9	71%	0.706	73%	0.732	S	S	*	*			trans	-175.1	165.9	174.9	-84.6	0	0	0	0	111.2
569	Q	32.4	Very low	41.4	Very low	177 Å²	177	125.7 Å²	125.7	83%	0.827	75%	0.746	S	S	*	*			cis	-164.5	175.4	-19.2	-107.1	176.8	82.2	0	0	109
570	T	31.7	Very low	41.4	Very low	127 Å²	127	120.3 Å²	120.3	78%	0.779	74%	0.739	S	S	*	*			trans	-141.2	141.3	-169.6	-42.9	0	0	0	0	115
571	V	29.7	Very low	40.6	Very low	130 Å²	130	125.4 Å²	125.4	79%	0.788	75%	0.745	S	S	*	*			trans	-147.3	139.3	179.9	168	0	0	0	0	108.6
572	I	30.8	Very low	39.8	Very low	145 Å²	145	126.9 Å²	126.9	74%	0.744	75%	0.745	S	S	*	*			cis	100.6	130.4	15.7	-58	167.8	0	0	0	114.6
573	Q	27.8	Very low	39.1	Very low	202 Å²	202	133.2 Å²	133.2	94%	0.944	77%	0.77	S	S	*	*			trans	-156.8	170.7	-179.7	-121.9	170.4	64.7	0	0	114.9
574	A	31.4	Very low	39.2	Very low	90 Å²	90	135.5 Å²	135.5	74%	0.744	79%	0.785	S	S	*	*			trans	-128	-128.2	-147.9	0	0	0	0	0	118.7
575	P	49.6	Very low	39.1	Very low	118 Å²	118	135.4 Å²	135.4	77%	0.766	79%	0.785	S	S	*	*				-117.9	-156.3	-103.8	38.2	-20.1	0	0	0	113.8
576	P	49.1	Very low	39.4	Very low	122 Å²	122	135.6 Å²	135.6	79%	0.792	79%	0.785	S	S	*	*			cis	-124.8	-96.1	-5.4	21.3	6.3	0	0	0	120.9
577	P	50	Low	39.5	Very low	111 Å²	111	134.7 Å²	134.7	72%	0.721	78%	0.78	S	S	*	*			trans	-132.1	166.3	-132.3	42.5	-24	0	0	0	120.3
578	P	54.3	Low	38.1	Very low	124 Å²	124	136.9 Å²	136.9	81%	0.805	78%	0.779	S	S	*	*			trans	-123.9	169.4	174.8	42.3	-31.4	0	0	0	117.2
579	Q	30.4	Very low	37.8	Very low	200 Å²	200	139.1 Å²	139.1	94%	0.935	78%	0.778	S	S	*	*			trans	-155.2	171.1	172.8	-64.2	-167.7	35.1	0	0	111.1
580	G	32.5	Very low	38	Very low	67 Å²	67	137.1 Å²	137.1	69%	0.691	77%	0.772	S	S	*	*			cis	165.1	151	-9.9	0	0	0	0	0	115
581	Y	26.7	Very low	37.5	Very low	220 Å²	220	138.7 Å²	138.7	86%	0.863	77%	0.771	S	S	*	*			trans	59.5	136.9	164.5	-78.7	-77	0	0	0	125
582	I	31.4	Very low	37.3	Very low	151 Å²	151	138.2 Å²	138.2	77%	0.774	77%	0.768	S	S	*	*			trans	101.5	121.1	139.8	-74.9	160.1	0	0	0	124.4
583	Q	29	Very low	36.9	Very low	182 Å²	182	135.5 Å²	135.5	85%	0.85	76%	0.762	S	S	*	*			trans	55.5	157.4	149.3	-78.8	-145.5	38.7	0	0	127.3
584	P	53.6	Low	36.7	Very low	103 Å²	103	136.5 Å²	136.5	67%	0.669	76%	0.758	S	S	*	*			trans	-112.5	-159.7	-173.1	45.7	-32.6	0	0	0	113.4
585	P	43.6	Very low	36.4	Very low	119 Å²	119	142.8 Å²	142.8	77%	0.773	76%	0.764	S	S	*	*			cis	-123.5	-84.4	-9.5	19.1	6.8	0	0	0	121.7
586	P	52.5	Low	36.5	Very low	111 Å²	111	142.4 Å²	142.4	72%	0.721	76%	0.762	S	S	*	*			trans	-131.3	-146.2	-149	45.6	-23.5	0	0	0	113.4
587	P	47.3	Very low	36.2	Very low	105 Å²	105	142.5 Å²	142.5	68%	0.682	76%	0.763	S	S	*	*			cis	-137.9	174.8	-15.9	43.8	-26.5	0	0	0	117.7
588	Q	31.8	Very low	35.3	Very low	170 Å²	170	140.6 Å²	140.6	79%	0.794	76%	0.763	S	S	*	*			trans	63.5	165.4	155.8	-64.9	-78.6	14.7	0	0	117.7
589	Q	28.8	Very low	34	Very low	147 Å²	147	142.5 Å²	142.5	69%	0.687	76%	0.761	S	S	*	*			cis	-165.8	165.3	11.6	-138.2	171.9	-1.2	0	0	112.3
590	I	35.5	Very low	33.5	Very low	135 Å²	135	143.3 Å²	143.3	69%	0.692	76%	0.757	S	S	*	*			trans	70.2	147.4	148	-79.8	154	0	0	0	120.9
591	Q	22.1	Very low	33.3	Very low	160 Å²	160	145 Å²	145	75%	0.748	77%	0.765	S	S	*	*			cis	-177.7	171.5	-27.1	-149.5	-177.6	54.8	0	0	110.5
592	V	24.8	Very low	33.3	Very low	120 Å²	120	140.4 Å²	140.4	73%	0.727	77%	0.765	S	S	*	*			trans	73	145.3	155.8	172.8	0	0	0	0	118.6
593	S	23.8	Very low	33.4	Very low	88 Å²	88	139 Å²	139	62%	0.615	77%	0.768	S	S	*	*			cis	-172.5	150.5	-22.2	-93.8	0	0	0	0	114
594	Y	23.6	Very low	33.5	Very low	224 Å²	224	133.6 Å²	133.6	88%	0.878	76%	0.761	S	S	*	*			trans	72.3	148.1	142.7	-83.6	-110	0	0	0	126.2
595	Y	23.9	Very low	32.4	Very low	221 Å²	221	137.2 Å²	137.2	87%	0.867	77%	0.769	S	S	*	*			trans	-77.7	-178.5	-179.1	-89.2	-117.9	0	0	0	114.4
596	P	52.1	Low	31.6	Very low	111 Å²	111	138.7 Å²	138.7	72%	0.721	77%	0.766	S	S	*	*			cis	-132.2	-134.5	10.4	42.9	-21.7	0	0	0	111.8
597	P	42.6	Very low	30.4	Very low	124 Å²	124	142 Å²	142	81%	0.805	77%	0.765	S	S	*	*			cis	-131.9	-178.1	-31.7	39.7	-22.4	0	0	0	115.7
598	G	30.7	Very low	29.4	Very low	70 Å²	70	146.5 Å²	146.5	72%	0.722	77%	0.768	S	S	*	*			trans	149.9	175.1	160.2	0	0	0	0	0	115.5
599	Q	27	Very low	29.1	Very low	164 Å²	164	144.5 Å²	144.5	77%	0.766	77%	0.767	S	S	*	*			cis	-166.9	178.5	-18	-109.8	-61.6	0	0	0	110.6
600	Y	21.3	Very low	29.1	Very low	218 Å²	218	143 Å²	143	86%	0.855	77%	0.774	S	S	*	*			trans	-126.5	-176.1	-169.7	-52.8	-68.7	0	0	0	113.4
601	A	27	Very low	28.7	Very low	103 Å²	103	145.4 Å²	145.4	85%	0.851	78%	0.782	S	S	*	*			cis	-147.5	-141.2	13.9	0	0	0	0	0	114.2
602	S	27	Very low	29.8	Very low	123 Å²	123	142.3 Å²	142.3	86%	0.86	78%	0.776	S	S	*	*			trans	-150.1	168.1	-158.6	-161.1	0	0	0	0	117.8
603	S	33.9	Very low	29.9	Very low	122 Å²	122	144.2 Å²	144.2	85%	0.853	78%	0.78	S	S	*	*			trans	-160.1	-177.4	179.3	72	0	0	0	0	112.6
604	G	31.4	Very low	30	Very low	67 Å²	67	144.8 Å²	144.8	69%	0.691	78%	0.784	S	S	*	*			cis	-170.2	-21.4	7.4	0	0	0	0	0	119.5
605	Q	29	Very low	30.3	Very low	180 Å²	180	142.4 Å²	142.4	84%	0.841	78%	0.78	S	S	*	*			trans	77.1	-177.3	167.3	-64.6	-73.5	66.4	0	0	121.9
606	Q	27.3	Very low	30.4	Very low	150 Å²	150	139.9 Å²	139.9	70%	0.701	78%	0.777	S	S	*	*			trans	-124.1	-177.3	-138.7	-61.6	-174.1	-40.1	0	0	117.1
607	Y	27.2	Very low	29.1	Very low	180 Å²	180	140.3 Å²	140.3	71%	0.706	78%	0.777	S	S	*	*			trans	122.3	173	145.2	-102.7	-99	0	0	0	120.8
608	R	26.2	Very low	28.2	Very low	199 Å²	199	139.4 Å²	139.4	75%	0.751	77%	0.773	S	S	*	*			trans	-86.5	151.8	-144.1	-75.3	174.7	176.3	145.4	-1.6	119.7
609	V	26.5	Very low	27.9	Very low	128 Å²	128	145.8 Å²	145.8	78%	0.776	78%	0.777	S	S	*	*			trans	29.1	124.2	131.4	-173.6	0	0	0	0	120.9
610	S	27.3	Very low	27.7	Very low	117 Å²	117	146.2 Å²	146.2	82%	0.818	78%	0.779	S	S	*	*				177.7	151.6	124.1	-75.4	0	0	0	0	113.1
611	Q	28.9	Very low	27.9	Very low	184 Å²	184	139.3 Å²	139.3	86%	0.86	77%	0.767	S	S	*	*			trans	-90	-167	169.3	-52.4	-175.3	-26.3	0	0	110.5
612	P	44.4	Very low	27.9	Very low	96 Å²	96	143.3 Å²	143.3	62%	0.623	77%	0.768	S	S	*	*			cis	-140.2	-178.7	-7.8	41.6	-23.2	0	0	0	116.8
613	I	26.5	Very low	27.9	Very low	159 Å²	159	146.6 Å²	146.6	82%	0.815	76%	0.762	S	S	*	*			trans	68	139.7	151	-77.3	158.9	0	0	0	116.3
614	S	27.1	Very low	27.5	Very low	101 Å²	101	145.2 Å²	145.2	71%	0.706	75%	0.748	S	S	*	*			cis	-153.5	-170.3	26.1	-148.7	0	0	0	0	114.2
615	H	28.8	Very low	27.2	Very low	173 Å²	173	149.3 Å²	149.3	80%	0.801	75%	0.75	S	S	*	*			trans	-67.8	169.3	-171.6	-56.6	-96.2	0	0	0	118.8
616	Q	26.7	Very low	27.8	Very low	168 Å²	168	145.2 Å²	145.2	79%	0.785	74%	0.738	S	S	*	*			trans	132.2	111.3	153.1	-68.4	-78	-15.4	0	0	110.1
617	V	24.5	Very low	27.6	Very low	121 Å²	121	145.8 Å²	145.8	73%	0.733	74%	0.743	S	S	*	*				93.1	136.4	68.1	163.6	0	0	0	0	113.6
618	S	24.3	Very low	28.5	Very low	104 Å²	104	143 Å²	143	73%	0.727	75%	0.747	S	S	*	*			trans	90.2	107	165.8	-63.1	0	0	0	0	123.4
619	Y	22.7	Very low	29.9	Very low	204 Å²	204	138.7 Å²	138.7	80%	0.8	75%	0.745	S	S	*	*				41.2	131.7	121.7	-88.9	-105.8	0	0	0	125.2
620	Q	23.9	Very low	30.6	Very low	174 Å²	174	138 Å²	138	81%	0.813	74%	0.743	S	S	*	*			trans	56.5	165	141	-77.3	-173.7	-42.2	0	0	120.3
621	A	24.3	Very low	30.5	Very low	73 Å²	73	139 Å²	139	60%	0.603	74%	0.739	S	S	*	*			cis	-171.8	172.4	-30	0	0	0	0	0	108.5
622	Q	27.3	Very low	30.5	Very low	186 Å²	186	137.9 Å²	137.9	87%	0.869	73%	0.734	S	S	*	*			trans	67.7	159.4	163.1	-69.2	-162.7	13.2	0	0	117.8
623	R	27.6	Very low	29.8	Very low	192 Å²	192	141.1 Å²	141.1	73%	0.725	74%	0.741	S	S	*	*			cis	-173	149.2	-24.7	-170.3	-156.1	86.5	168.4	8.8	108.7
624	T	25.9	Very low	30.1	Very low	93 Å²	93	139.4 Å²	139.4	57%	0.571	74%	0.743	S	S	*	*			trans	64	128.5	162.8	36.6	0	0	0	0	119
625	Q	25.7	Very low	30.4	Very low	154 Å²	154	137.8 Å²	137.8	72%	0.72	74%	0.742	S	S	*	*				68.5	143.1	68.8	-67.5	-84.5	55.1	0	0	114.6
626	P	41.4	Very low	30.6	Very low	93 Å²	93	137.4 Å²	137.4	60%	0.604	74%	0.741	S	S	*	*			cis	-147.3	126	-13.2	35.8	-12.6	0	0	0	118.3
627	M	23.3	Very low	30.7	Very low	163 Å²	163	139 Å²	139	80%	0.803	74%	0.741	S	S	*	*			trans	59.7	-156	152.2	-38	-49.3	173.1	0	0	115.9
628	P	44.9	Very low	30.9	Very low	120 Å²	120	139.6 Å²	139.6	78%	0.779	74%	0.739	S	S	*	*			cis	-122.9	-86.7	-21.1	18.7	6.8	0	0	0	120.4
629	P	54.8	Low	31.2	Very low	110 Å²	110	140 Å²	140	71%	0.714	74%	0.737	S	S	*	*			trans	-133.1	-153.6	-148.6	47.5	-26.8	0	0	0	114
630	P	43	Very low	31.5	Very low	112 Å²	112	138.9 Å²	138.9	73%	0.727	74%	0.741	S	S	*	*			cis	-136.5	167	-12.1	42.8	-25.2	0	0	0	118.8
631	N	23.6	Very low	31.9	Very low	140 Å²	140	139 Å²	139	75%	0.749	74%	0.744	S	S	*	*			trans	83.9	134	138.6	-110.5	6.4	0	0	0	127.6
632	Q	30.4	Very low	33.6	Very low	159 Å²	159	140.9 Å²	140.9	74%	0.743	75%	0.75	S	S	*	*			trans	59.4	160	150.4	-66.6	-173.8	121.8	0	0	121.5
633	Q	28.6	Very low	33.8	Very low	164 Å²	164	137.2 Å²	137.2	77%	0.766	75%	0.745	S	S	*	*			cis	167.3	124.7	-39.6	-113.7	-168.8	-2.3	0	0	107.6
634	S	33.9	Very low	34.5	Very low	124 Å²	124	136.3 Å²	136.3	87%	0.867	75%	0.749	S	S	*	*			trans	54.5	151.4	160.2	55.2	0	0	0	0	121.4
635	G	33.2	Very low	34.9	Very low	67 Å²	67	139.4 Å²	139.4	69%	0.691	76%	0.757	S	S	*	*			cis	164.8	-179.6	-4.2	0	0	0	0	0	113.7
636	Q	31.8	Very low	35.7	Very low	164 Å²	164	136.5 Å²	136.5	77%	0.766	75%	0.751	S	S	*	*			trans	79.2	170.1	171.1	-88.6	-72	10.6	0	0	121.2
637	Y	30	Very low	35.5	Very low	201 Å²	201	135.9 Å²	135.9	79%	0.788	75%	0.749	S	S	*	*			trans	84	163.1	166.3	-51.8	-78.3	0	0	0	120.2
638	I	28.7	Very low	35.7	Very low	135 Å²	135	139.7 Å²	139.7	69%	0.692	76%	0.757	S	S	*	*				-158.1	140.9	-76.7	-107	172	0	0	0	113.4
639	T	30.3	Very low	35.3	Very low	113 Å²	113	138.5 Å²	138.5	69%	0.693	74%	0.741	S	S	*	*			trans	30.7	138	147.9	-50.1	0	0	0	0	124
640	M	29.7	Very low	34	Very low	179 Å²	179	138.8 Å²	138.8	88%	0.882	74%	0.736	S	S	*	*				-168.1	145	129.5	-103.5	164.7	-120.5	0	0	112.1
641	M	31.6	Very low	33.4	Very low	176 Å²	176	140 Å²	140	87%	0.867	73%	0.734	S	S	*	*			trans	-162.9	169.9	-171	-89.3	-64.2	168.2	0	0	108.8
642	P	60	Low	33.7	Very low	113 Å²	113	140.6 Å²	140.6	73%	0.734	73%	0.734	S	S	*	*			cis	-124.9	-123.2	2.5	40.6	-22.5	0	0	0	111.6
643	S	31.6	Very low	33.7	Very low	110 Å²	110	136.3 Å²	136.3	77%	0.769	73%	0.733	S	S	*	*			trans	80.5	-167.3	171.4	-155.8	0	0	0	0	116.2
644	Q	42.6	Very low	33.6	Very low	173 Å²	173	134 Å²	134	81%	0.808	73%	0.729	S	S	*	*			trans	80	162.2	-170.6	-45.8	-56.1	-17	0	0	116.4
645	Q	33.8	Very low	33.2	Very low	157 Å²	157	136.6 Å²	136.6	73%	0.734	73%	0.728	S	S	*	*			trans	-163.4	178.8	-167.9	-112.5	-157.8	93.5	0	0	109.5
646	P	41.7	Very low	32.8	Very low	93 Å²	93	141.3 Å²	141.3	60%	0.604	73%	0.732	S	S	*	*			cis	-119.4	-80.8	15	34.6	-16.4	0	0	0	116.6	Q649	P646-Q649 WeakPolarHBondContact O-CG 3.3Å; P646-Q649 PolarHBondContact O-NE2 2.88Å
647	S	38.6	Very low	33.4	Very low	80 Å²	80	136.5 Å²	136.5	56%	0.559	72%	0.715	S	S	*	*			trans	-157.1	169.8	-151.3	59.3	0	0	0	0	112.3
648	Y	26.4	Very low	33.5	Very low	244 Å²	244	132.8 Å²	132.8	96%	0.957	72%	0.715	S	S	*	*	S	Bend	cis	-64.2	157.2	1.8	-103	-111.5	0	0	0	114.4
649	Q	36	Very low	33.6	Very low	94 Å²	94	129.8 Å²	129.8	44%	0.439	70%	0.701	S	S	.	*			trans	-151.9	148	-130.6	-131.7	-174.1	31.7	0	0	116.2	P646	P646-Q649 WeakPolarHBondContact O-CG 3.3Å; P646-Q649 PolarHBondContact O-NE2 2.88Å
650	N	28.7	Very low	34.3	Very low	116 Å²	116	129.1 Å²	129.1	62%	0.62	70%	0.698	S	S	*	*			trans	64.1	155.8	137.8	-82	-14	0	0	0	119.7
651	M	30.1	Very low	34.5	Very low	138 Å²	138	122 Å²	122	68%	0.68	67%	0.67	S	S	*	*			cis	-154.1	157.9	5.5	-134.5	145.4	111.3	0	0	110.6
652	M	30	Very low	34.7	Very low	153 Å²	153	119.9 Å²	119.9	75%	0.754	66%	0.662	S	S	*	*			trans	64	173.7	166.4	-58.2	-176.9	-63.5	0	0	114.8	V654	M652-V654 HydrophobicContact CB-CG2 4.19Å; M652-V654 HydrophobicContact CE-CG2 4.31Å; M652-V654 HydrophobicContact CG-CG2 4.33Å; M652-V654 HydrophobicContact SD-CG2 3.54Å; M652-V654 VanDerWaalsContact SD-CG2 3.54Å
653	G	30.3	Very low	33.3	Very low	69 Å²	69	121.7 Å²	121.7	71%	0.711	66%	0.664	S	S	*	*			cis	120.5	-155	-7.6	0	0	0	0	0	113.8	Q655	G653-Q655 PolarHBondContact O-N 3.07Å
654	V	27.5	Very low	33.1	Very low	114 Å²	114	123 Å²	123	69%	0.691	66%	0.663	S	S	*	*			trans	46.3	54.2	171.6	-161.5	0	0	0	0	115.3	M652 Q656	M652-V654 HydrophobicContact CB-CG2 4.19Å; M652-V654 HydrophobicContact CE-CG2 4.31Å; M652-V654 HydrophobicContact CG-CG2 4.33Å; M652-V654 HydrophobicContact SD-CG2 3.54Å; M652-V654 VanDerWaalsContact SD-CG2 3.54Å; V654-Q656 PolarHBondContact O-N 2.81Å
655	Q	24.5	Very low	32.6	Very low	180 Å²	180	119.7 Å²	119.7	84%	0.841	66%	0.659	S	S	*	*			trans	63.5	-17.6	154.7	-164.4	168.6	-105.8	0	0	119.8	G653 P657	G653-Q655 PolarHBondContact O-N 3.07Å; Q655-P657 WeakPolarHBondContact O-CD 3.31Å
656	Q	24.9	Very low	32.4	Very low	165 Å²	165	121 Å²	121	77%	0.771	67%	0.665	S	S	*	*			trans	89.6	-67.3	-173.4	178.7	-86.4	118.2	0	0	117.9	V654	V654-Q656 PolarHBondContact O-N 2.81Å
657	P	44	Very low	31.8	Very low	64 Å²	64	126.9 Å²	126.9	42%	0.416	68%	0.675	S	S	.	*			trans	-85.1	161.4	-169.5	34.6	-34.3	0	0	0	112.5	Q655	Q655-P657 WeakPolarHBondContact O-CD 3.31Å
658	P	31.8	Very low	31.3	Very low	122 Å²	122	128.6 Å²	128.6	79%	0.792	68%	0.683	S	S	*	*			cis	-128.4	-177.6	11.2	39.1	-21.9	0	0	0	116.3
659	N	31.6	Very low	31.8	Very low	73 Å²	73	122.2 Å²	122.2	39%	0.39	67%	0.673	S	S	.	*			trans	-64.6	179.6	170.4	-64.1	-76.9	0	0	0	114.4	V679	N659-V679 WeakPolarHBondContact ND2-CB 3.47Å; N659-V679 WeakPolarHBondContact OD1-CB 3.42Å; N659-V679 VanDerWaalsContact OD1-CG2 3.25Å; N659-V679 WeakPolarHBondContact OD1-CG2 3.39Å; N659-V679 PolarHBondContact OD1-N 2.78Å
660	P	44.7	Very low	32	Very low	98 Å²	98	125 Å²	125	64%	0.636	69%	0.69	S	S	*	*			cis	-130.1	-148.1	6.5	47.4	-29.5	0	0	0	112.4	M678	P660-M678 HydrophobicContact CB-SD 4.48Å
661	G	34.3	Very low	32.1	Very low	29 Å²	29	122.4 Å²	122.4	30%	0.299	69%	0.69	S	S	.	*			cis	-175.2	163.6	-6.4	0	0	0	0	0	116.3	I677	G661-I677 VanDerWaalsContact C-CG2 3.46Å
662	L	36.7	Very low	32.3	Very low	133 Å²	133	119.1 Å²	119.1	70%	0.696	69%	0.692	S	S	*	*			trans	77.4	118.6	147.1	-52.6	-179	0	0	0	125.2	M678	L662-M678 HydrophobicContact CD2-CE 4.41Å; L662-M678 HydrophobicContact CD2-SD 4.04Å
663	L	30.7	Very low	32.6	Very low	150 Å²	150	119.5 Å²	119.5	79%	0.785	69%	0.692	S	S	*	*				74.1	107.6	124.1	-63	173.9	0	0	0	126.3
664	N	26.6	Very low	33.1	Very low	138 Å²	138	124.4 Å²	124.4	74%	0.738	70%	0.699	S	S	*	*				91.4	118.8	111.4	-154	21.1	0	0	0	125.3
665	S	31.2	Very low	33.1	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	71%	0.705	S	S	*	*			trans	58.2	114.5	146.9	-71.9	0	0	0	0	124.2
666	Q	30.7	Very low	33.1	Very low	183 Å²	183	123.9 Å²	123.9	86%	0.855	70%	0.7	S	S	*	*			trans	-150.9	133	130.4	-158.9	159.2	106.8	0	0	114.5
667	R	29.1	Very low	33.3	Very low	218 Å²	218	121.8 Å²	121.8	82%	0.823	69%	0.693	S	S	*	*			trans	38.2	100.8	160.9	-74.1	-174	-176	-90.3	-0.1	120
668	T	28.6	Very low	32.6	Very low	116 Å²	116	122.6 Å²	122.6	71%	0.712	69%	0.692	S	S	*	*				-33.3	139.1	125.3	-52.6	0	0	0	0	111.7	I670	T668-I670 HydrophobicContact CG2-CG1 4.4Å
669	S	35.8	Very low	32.7	Very low	109 Å²	109	119.8 Å²	119.8	76%	0.762	67%	0.673	S	S	*	*	S	Bend	cis	-58.4	143	13	-160.4	0	0	0	0	115.1	G671	S669-G671 VanDerWaalsContact O-CA 3.29Å; S669-G671 WeakPolarHBondContact O-CA 3.49Å; S669-G671 PolarHBondContact O-N 3.06Å
670	I	41.5	Very low	32.6	Very low	152 Å²	152	123.1 Å²	123.1	78%	0.779	69%	0.686	S	S	*	*			trans	-71.3	109.4	-178.4	-68.5	172.3	0	0	0	107.7	T668	T668-I670 HydrophobicContact CG2-CG1 4.4Å
671	G	30.5	Very low	31.5	Very low	62 Å²	62	127.2 Å²	127.2	64%	0.639	69%	0.69	S	S	*	*			cis	82.1	96.6	6.7	0	0	0	0	0	111.1	S669	S669-G671 VanDerWaalsContact O-CA 3.29Å; S669-G671 WeakPolarHBondContact O-CA 3.49Å; S669-G671 PolarHBondContact O-N 3.06Å
672	G	33.8	Very low	31.7	Very low	69 Å²	69	130.1 Å²	130.1	71%	0.711	70%	0.703	S	S	*	*			cis	118.2	102.1	8.1	0	0	0	0	0	111.3
673	Q	36.1	Very low	31.1	Very low	161 Å²	161	132.1 Å²	132.1	75%	0.752	71%	0.709	S	S	*	*			trans	70.8	139.9	156.3	-54.7	-61.2	-12.2	0	0	120.8	Q675	Q673-Q675 PolarHBondContact O-NE2 3.07Å
674	M	40.9	Very low	30.9	Very low	173 Å²	173	129.4 Å²	129.4	85%	0.852	69%	0.694	S	S	*	*			trans	51.6	113.1	157.1	-63.1	178.4	-178.8	0	0	119.3
675	Q	26.6	Very low	31.7	Very low	176 Å²	176	127.1 Å²	127.1	82%	0.822	69%	0.687	S	S	*	*			trans	-138.6	164.7	164	-73.6	94.6	72.2	0	0	110.2	Q673	Q673-Q675 PolarHBondContact O-NE2 3.07Å
676	S	25.5	Very low	31.5	Very low	106 Å²	106	126 Å²	126	74%	0.741	68%	0.679	S	S	*	*			trans	-130.3	163	-174.8	-58.4	0	0	0	0	111.9
677	I	29.1	Very low	31.3	Very low	121 Å²	121	124.8 Å²	124.8	62%	0.621	67%	0.667	S	S	*	*			trans	73.6	156.9	143.7	-88.8	163.3	0	0	0	118.9	G661	G661-I677 VanDerWaalsContact C-CG2 3.46Å
678	M	28	Very low	31.2	Very low	82 Å²	82	121.1 Å²	121.1	40%	0.404	66%	0.66	S	S	.	*			trans	82.9	110.6	162.3	-160.6	161.4	-179.9	0	0	119.7	P660 L662 Q680	P660-M678 HydrophobicContact CB-SD 4.48Å; L662-M678 HydrophobicContact CD2-CE 4.41Å; L662-M678 HydrophobicContact CD2-SD 4.04Å; M678-Q680 HydrophobicContact CE-CB 4.39Å
679	V	34	Very low	31.1	Very low	62 Å²	62	119.8 Å²	119.8	38%	0.376	65%	0.651	S	S	.	*			trans	-67.9	146.7	148.8	173.7	0	0	0	0	109.8	N659 Y681	N659-V679 WeakPolarHBondContact ND2-CB 3.47Å; N659-V679 WeakPolarHBondContact OD1-CB 3.42Å; N659-V679 VanDerWaalsContact OD1-CG2 3.25Å; N659-V679 WeakPolarHBondContact OD1-CG2 3.39Å; N659-V679 PolarHBondContact OD1-N 2.78Å; V679-Y681 HydrophobicContact CG1-CD1 4.02Å; V679-Y681 HydrophobicContact CG1-CE1 3.57Å; V679-Y681 HydrophobicContact CG1-CE2 4.32Å
680	Q	29.7	Very low	31.1	Very low	144 Å²	144	117.4 Å²	117.4	67%	0.673	63%	0.633	S	S	*	*			trans	-146.9	135.1	151.5	-167.3	53.7	62.7	0	0	111.7	M678	M678-Q680 HydrophobicContact CE-CB 4.39Å
681	Y	23.1	Very low	30.5	Very low	183 Å²	183	115.6 Å²	115.6	72%	0.718	63%	0.629	S	S	*	*			trans	-86.4	137.9	-179.5	-53.3	-56.6	0	0	0	111.9	V679	V679-Y681 HydrophobicContact CG1-CD1 4.02Å; V679-Y681 HydrophobicContact CG1-CE1 3.57Å; V679-Y681 HydrophobicContact CG1-CE2 4.32Å
682	P	38.6	Very low	30.4	Very low	90 Å²	90	114.6 Å²	114.6	58%	0.584	61%	0.614	S	S	*	*			trans	-93.8	157.8	-176.2	36.7	-36.4	0	0	0	114.6	P793	P682-P793 HydrophobicContact CB-CG 3.84Å; P682-P793 HydrophobicContact CG-CG 3.51Å
683	Q	23.7	Very low	30.2	Very low	175 Å²	175	116.5 Å²	116.5	82%	0.818	61%	0.608	S	S	*	*			trans	-143.6	152.2	169.5	-65.9	-168.8	-5.5	0	0	105.7
684	M	26.8	Very low	29.9	Very low	94 Å²	94	116.4 Å²	116.4	46%	0.463	61%	0.608	S	S	.	*				58.8	136.5	53.3	-59.3	-72.2	-67.3	0	0	112.5	G790 Q792	M684-G790 WeakPolarHBondContact CE-O 3.33Å; M684-G790 VanDerWaalsContact SD-C 3.51Å; M684-Q792 PolarHBondContact SD-N 2.85Å
685	P	42.9	Very low	29.2	Very low	90 Å²	90	113.1 Å²	113.1	58%	0.584	59%	0.594	S	S	*	*			cis	-71.9	-154.4	-9	-17.8	35.5	0	0	0	113.6	N789 G790	P685-N789 HydrophobicContact CB-CB 4.4Å; P685-N789 WeakPolarHBondContact CB-OD1 3.44Å; P685-G790 CarbonylContact C-O 3.05Å; P685-G790 WeakPolarHBondContact CA-O 3.45Å
686	S	25.8	Very low	29.3	Very low	81 Å²	81	111 Å²	111	57%	0.566	58%	0.584	S	S	*	*			cis	-142.3	179.8	5.2	70.1	0	0	0	0	113	N789 G790 P791	S686-N789 WeakPolarHBondContact CA-OD1 3.14Å; S686-N789 WeakPolarHBondContact CB-OD1 3.36Å; S686-G790 WeakPolarHBondContact CA-O 3.04Å; S686-G790 PolarHBondContact N-O 3.02Å; S686-G790 VanDerWaalsContact N-O 3.09Å; S686-P791 WeakPolarHBondContact O-CD 3.19Å
687	Y	27.8	Very low	29.4	Very low	157 Å²	157	113.4 Å²	113.4	62%	0.616	58%	0.583	S	S	*	*			trans	-165.5	164.9	176.7	-170.7	57.4	0	0	0	113	N789	Y687-N789 VanDerWaalsContact CB-C 3.5Å; Y687-N789 WeakPolarHBondContact CB-O 3.41Å; Y687-N789 PolarHBondContact O-N 3.05Å
688	Q	26.1	Very low	29.2	Very low	141 Å²	141	113 Å²	113	66%	0.659	59%	0.587	S	S	*	*			trans	-158.3	156.4	-178.1	-75.4	-163.6	11.5	0	0	109.3	V787	Q688-V787 HydrophobicContact CG-CG1 4.12Å
689	V	27.2	Very low	29	Very low	88 Å²	88	115.2 Å²	115.2	53%	0.533	60%	0.604	S	S	.	*			cis	-159.4	148.3	-3.1	132.8	0	0	0	0	106.6	S786 V787	V689-S786 WeakPolarHBondContact CG1-OG 3.39Å; V689-V787 HydrophobicContact CG2-CG1 3.67Å
690	P	36.5	Very low	28.5	Very low	59 Å²	59	119.2 Å²	119.2	38%	0.383	62%	0.619	S	S	.	*			trans	-114.6	156.4	-153.5	33.4	-18.9	0	0	0	118.8	Q784 S786	P690-Q784 PolarHBondContact O-NE2 3.14Å; P690-S786 VanDerWaalsContact CD-CA 3.49Å; P690-S786 VanDerWaalsContact CD-CB 3.43Å; P690-S786 WeakPolarHBondContact CD-OG 3.41Å
691	V	27.7	Very low	28.2	Very low	114 Å²	114	119 Å²	119	69%	0.691	62%	0.618	S	S	*	*			trans	-139.9	146.4	150.6	-73.9	0	0	0	0	106.7	Q784	V691-Q784 HydrophobicContact CG1-CG 4.26Å
692	A	28.7	Very low	28.2	Very low	40 Å²	40	117.1 Å²	117.1	33%	0.331	62%	0.615	S	S	.	*			cis	80	126.1	23.9	0	0	0	0	0	115.8
693	N	30	Very low	27.5	Very low	110 Å²	110	122.5 Å²	122.5	59%	0.588	63%	0.626	S	S	*	*			cis	-166.1	176.8	-28.3	-117.1	-0.1	0	0	0	107.2	N695	N693-N695 PolarHBondContact OD1-ND2 3.29Å
694	E	29.9	Very low	27.5	Very low	159 Å²	159	122.1 Å²	122.1	74%	0.743	62%	0.624	S	S	*	*			cis	-144.5	148	3.2	-131.9	144.3	92.6	0	0	106.3
695	N	26.4	Very low	27.4	Very low	103 Å²	103	125.4 Å²	125.4	55%	0.551	64%	0.638	S	S	*	*			cis	78.7	132.3	29.4	-63	-47	0	0	0	115.3	N693	N693-N695 PolarHBondContact OD1-ND2 3.29Å
696	Q	28.5	Very low	26.5	Very low	132 Å²	132	130.7 Å²	130.7	62%	0.617	66%	0.655	S	S	*	*			cis	-167.2	168.8	-26.4	-134.2	-172.2	100.7	0	0	111.6
697	Q	26.8	Very low	26.4	Very low	156 Å²	156	132.2 Å²	132.2	73%	0.729	66%	0.66	S	S	*	*			trans	71	-172.8	152.2	-66.2	164.9	-47.4	0	0	116
698	V	25.7	Very low	26.2	Very low	114 Å²	114	133.3 Å²	133.3	69%	0.691	67%	0.673	S	S	*	*			cis	-161	151.4	25.6	-129.8	0	0	0	0	114.3
699	V	23	Very low	26.3	Very low	128 Å²	128	132.4 Å²	132.4	78%	0.776	68%	0.677	S	S	*	*				37.8	147.1	128	158.2	0	0	0	0	120.5
700	Q	23.5	Very low	26.8	Very low	145 Å²	145	133.3 Å²	133.3	68%	0.678	69%	0.685	S	S	*	*			cis	-176.7	156.1	-13.7	-177.9	-156.8	88.9	0	0	108.8
701	Q	24.1	Very low	26.1	Very low	140 Å²	140	136.6 Å²	136.6	65%	0.654	70%	0.703	S	S	*	*			trans	92.7	145.3	146.7	-122.1	-162.8	111.9	0	0	122.2
702	Q	22.6	Very low	25.9	Very low	143 Å²	143	135.7 Å²	135.7	67%	0.668	70%	0.702	S	S	*	*			trans	100.2	122.9	148.8	-63.5	-118.4	-46.9	0	0	122.4
703	Y	24.5	Very low	25.7	Very low	204 Å²	204	142.3 Å²	142.3	80%	0.8	73%	0.726	S	S	*	*			trans	93.4	158.8	140.1	-103.7	-94.6	0	0	0	123.8
704	Q	22.7	Very low	25.6	Very low	166 Å²	166	142.5 Å²	142.5	78%	0.776	74%	0.736	S	S	*	*			trans	-111.6	132.2	-151.7	174.1	-179.5	85.5	0	0	110.8
705	Q	24.9	Very low	25.2	Very low	163 Å²	163	141.1 Å²	141.1	76%	0.762	74%	0.738	S	S	*	*			trans	7.3	130.9	151.2	-173.2	175.7	104.7	0	0	119.3
706	Q	24.4	Very low	25.2	Very low	202 Å²	202	145 Å²	145	94%	0.944	75%	0.753	S	S	*	*			trans	-153	169	136.6	-115	168.9	46.1	0	0	113
707	V	24.4	Very low	25.2	Very low	112 Å²	112	142.3 Å²	142.3	68%	0.679	76%	0.761	S	S	*	*			trans	-121.7	137.4	-154.2	165.5	0	0	0	0	111.6
708	M	23.1	Very low	25.6	Very low	181 Å²	181	140.6 Å²	140.6	89%	0.892	76%	0.763	S	S	*	*			trans	-167.4	145.6	133.8	-144.1	61.6	151.8	0	0	112.6
709	V	28.8	Very low	25.9	Very low	122 Å²	122	142.1 Å²	142.1	74%	0.739	76%	0.764	S	S	*	*			trans	-88.1	172.7	169.2	-139.9	0	0	0	0	107.5
710	P	37.7	Very low	26.4	Very low	107 Å²	107	142 Å²	142	70%	0.695	77%	0.766	S	S	*	*			cis	-150.1	-166.1	17.8	42.8	-19.3	0	0	0	118.5
711	V	21.3	Very low	26.5	Very low	127 Å²	127	140.3 Å²	140.3	77%	0.77	77%	0.766	S	S	*	*			trans	96.6	116.6	141.4	144.8	0	0	0	0	121.3
712	S	23.6	Very low	26.6	Very low	95 Å²	95	142.4 Å²	142.4	66%	0.664	77%	0.769	S	S	*	*			trans	71.6	118.3	138.9	-63.3	0	0	0	0	125.4
713	Q	24	Very low	26.8	Very low	179 Å²	179	145.9 Å²	145.9	84%	0.836	78%	0.777	S	S	*	*				73.9	138.5	123.6	-72.9	-147.3	90	0	0	124.6
714	S	27	Very low	27.1	Very low	114 Å²	114	139.5 Å²	139.5	80%	0.797	76%	0.762	S	S	*	*			trans	89.5	162.4	139.3	82.9	0	0	0	0	120.8
715	V	23.3	Very low	27.3	Very low	130 Å²	130	137.4 Å²	137.4	79%	0.788	76%	0.761	S	S	*	*			trans	-144.3	143.5	-152.4	-175.6	0	0	0	0	108.5
716	Q	26	Very low	27.6	Very low	186 Å²	186	136.7 Å²	136.7	87%	0.869	76%	0.761	S	S	*	*			trans	137.1	105.2	143.1	-73.9	-175	1.2	0	0	116
717	G	28.8	Very low	27.8	Very low	75 Å²	75	133.8 Å²	133.8	77%	0.773	76%	0.757	S	S	*	*			trans	57.4	-177.7	144.2	0	0	0	0	0	121.7
718	P	34.9	Very low	28.4	Very low	119 Å²	119	133 Å²	133	77%	0.773	75%	0.754	S	S	*	*			cis	-142.7	170.3	-22.3	43.3	-27.2	0	0	0	116.2
719	M	32.2	Very low	28.7	Very low	146 Å²	146	130.2 Å²	130.2	72%	0.719	75%	0.747	S	S	*	*			trans	67.8	146.8	160.5	-59.1	-49.1	-68.7	0	0	119.9	V721	M719-V721 HydrophobicContact CE-CG2 3.46Å; M719-V721 VanDerWaalsContact CE-CG2 3.46Å
720	P	32.6	Very low	28.8	Very low	125 Å²	125	132 Å²	132	81%	0.812	75%	0.748	S	S	*	*				-133.8	171.5	73.4	36.4	-19.6	0	0	0	117.6
721	V	26.7	Very low	28.5	Very low	110 Å²	110	133.7 Å²	133.7	67%	0.667	75%	0.746	S	S	*	*			trans	-88.8	122.7	-172.5	167.7	0	0	0	0	110.2	M719	M719-V721 HydrophobicContact CE-CG2 3.46Å; M719-V721 VanDerWaalsContact CE-CG2 3.46Å
722	Y	24.9	Very low	28.6	Very low	184 Å²	184	135 Å²	135	72%	0.722	75%	0.749	S	S	*	*				69.4	131.4	93.9	-141.3	-94.4	0	0	0	115.5	S724	Y722-S724 WeakPolarHBondContact CE1-OG 3.16Å
723	Y	26.1	Very low	28.9	Very low	217 Å²	217	134.4 Å²	134.4	85%	0.851	75%	0.745	S	S	*	*			trans	-155.8	135.4	131.3	-117	-77.5	0	0	0	111.9
724	S	32.3	Very low	29.1	Very low	69 Å²	69	132.4 Å²	132.4	48%	0.483	75%	0.745	S	S	.	*			trans	-93.1	-151.5	167.5	-47.1	0	0	0	0	108.8	Y722	Y722-S724 WeakPolarHBondContact CE1-OG 3.16Å
725	V	27	Very low	28.9	Very low	123 Å²	123	132 Å²	132	75%	0.745	74%	0.742	S	S	*	*			cis	-144.8	-156.9	12.2	-133.1	0	0	0	0	107.7
726	I	30.9	Very low	30	Very low	147 Å²	147	131.4 Å²	131.4	75%	0.754	74%	0.741	S	S	*	*			cis	-143.6	138.3	16.1	-45.4	164.6	0	0	0	108.7
727	T	28.9	Very low	30.4	Very low	142 Å²	142	127.9 Å²	127.9	87%	0.871	74%	0.737	S	S	*	*			trans	-133	104.4	175.2	-50.4	0	0	0	0	110.6
728	P	37.3	Very low	30.4	Very low	94 Å²	94	130.9 Å²	130.9	61%	0.61	74%	0.74	S	S	*	*			trans	-109.3	174.4	-172.2	40.9	-35.4	0	0	0	114.7
729	T	28.6	Very low	30.4	Very low	123 Å²	123	128.1 Å²	128.1	76%	0.755	73%	0.733	S	S	*	*			trans	65.8	142.3	162.4	54.4	0	0	0	0	119.7
730	Q	30.1	Very low	30.4	Very low	160 Å²	160	131.8 Å²	131.8	75%	0.748	74%	0.74	S	S	*	*			cis	176.4	160.3	-23.9	-113.2	-152.4	60.4	0	0	105.3
731	Q	32.1	Very low	30.2	Very low	143 Å²	143	133.7 Å²	133.7	67%	0.668	74%	0.743	S	S	*	*			cis	-165.1	168.5	-29.8	-138	-174.6	9.5	0	0	109.4
732	N	24.1	Very low	30.1	Very low	154 Å²	154	137.3 Å²	137.3	82%	0.824	75%	0.753	S	S	*	*			trans	-145.2	144.2	146.7	-172.8	8	0	0	0	107.7
733	S	30.1	Very low	31.7	Very low	82 Å²	82	134 Å²	134	57%	0.573	75%	0.753	S	S	*	*			trans	-165.7	151.2	-178.9	-75.5	0	0	0	0	112.6
734	T	27.2	Very low	32.6	Very low	138 Å²	138	129.1 Å²	129.1	85%	0.847	75%	0.748	S	S	*	*			trans	-139.2	142.2	171.8	43.4	0	0	0	0	110.2
735	S	22.6	Very low	32.2	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	76%	0.761	S	S	*	*			trans	-156.5	-173.2	178.6	-49.9	0	0	0	0	108.5
736	P	47.4	Very low	32.4	Very low	118 Å²	118	130 Å²	130	77%	0.766	76%	0.76	S	S	*	*			cis	-85	-175.3	18.3	38.8	-41.3	0	0	0	113.8
737	S	34.2	Very low	32.2	Very low	113 Å²	113	130.8 Å²	130.8	79%	0.79	76%	0.761	S	S	*	*			cis	90.5	128.3	13.6	-58.8	0	0	0	0	119
738	V	29	Very low	32.1	Very low	137 Å²	137	130.3 Å²	130.3	83%	0.83	75%	0.748	S	S	*	*			trans	-168.6	157.7	172.2	66.3	0	0	0	0	111.3	I57	I57-V738 HydrophobicContact CD1-CG2 4.33Å
739	G	34.8	Very low	31.6	Very low	61 Å²	61	133.4 Å²	133.4	63%	0.629	75%	0.753	S	S	*	*			trans	119.6	140.2	165.5	0	0	0	0	0	116.1
740	Y	32.4	Very low	31.4	Very low	224 Å²	224	134.4 Å²	134.4	88%	0.878	75%	0.749	S	S	*	*			trans	-167	154.5	-175.8	-110.9	-73.4	0	0	0	115.2
741	L	28.5	Very low	31.3	Very low	165 Å²	165	133.3 Å²	133.3	86%	0.864	75%	0.746	S	S	*	*			trans	67.8	144.9	157.5	-58.1	177.9	0	0	0	122.2
742	Q	24.5	Very low	30.9	Very low	186 Å²	186	132.9 Å²	132.9	87%	0.869	75%	0.754	S	S	*	*			trans	-155.3	150.9	176.6	-178.6	177.1	-19.9	0	0	111.6
743	P	58.2	Low	30.9	Very low	113 Å²	113	134.2 Å²	134.2	73%	0.734	76%	0.755	S	S	*	*			trans	-116	-155.3	-175.3	50.1	-39.1	0	0	0	112.7
744	P	44.6	Very low	30.8	Very low	115 Å²	115	135 Å²	135	75%	0.747	76%	0.76	S	S	*	*				-131.1	-173.5	-128.1	35.2	-10.3	0	0	0	118.3
745	S	24.3	Very low	31.4	Very low	106 Å²	106	134 Å²	134	74%	0.741	76%	0.756	S	S	*	*			trans	76.4	144	154.6	61.7	0	0	0	0	121.1
746	S	29.7	Very low	31.5	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	76%	0.757	S	S	*	*			cis	-169.9	170.4	-15.5	-87.5	0	0	0	0	111.3
747	E	27.7	Very low	31.3	Very low	163 Å²	163	134.3 Å²	134.3	76%	0.762	76%	0.759	S	S	*	*			trans	77.9	143.8	157.7	-48.3	-144.7	92.3	0	0	118
748	Q	26.4	Very low	30.7	Very low	131 Å²	131	134.4 Å²	134.4	61%	0.612	76%	0.758	S	S	*	*			cis	-165.6	148.7	-2.4	-119	178.9	21.8	0	0	111.7
749	F	28	Very low	30.5	Very low	159 Å²	159	134.9 Å²	134.9	70%	0.697	76%	0.756	S	S	*	*			trans	59.5	155.7	150.9	-67.3	-50.5	0	0	0	122.3
750	Q	24.3	Very low	31	Very low	145 Å²	145	137 Å²	137	68%	0.678	76%	0.759	S	S	*	*			cis	-170.8	152	-23.7	-160.5	167	31.9	0	0	110.6
751	I	26.9	Very low	30.8	Very low	136 Å²	136	135.5 Å²	135.5	70%	0.697	76%	0.759	S	S	*	*			trans	24.1	119.5	159.6	-63.8	168.3	0	0	0	118.4
752	T	24.2	Very low	31.7	Very low	135 Å²	135	133.3 Å²	133.3	83%	0.828	76%	0.755	S	S	*	*			cis	80.8	100.6	10.8	-33	0	0	0	0	118.1
753	Q	25	Very low	31.9	Very low	181 Å²	181	131.7 Å²	131.7	85%	0.846	75%	0.752	S	S	*	*			trans	-157.3	159.9	170.9	-90.1	-117.4	64.1	0	0	114.1
754	S	27.2	Very low	30.4	Very low	98 Å²	98	133.2 Å²	133.2	69%	0.685	75%	0.749	S	S	*	*			trans	-93.3	-169.1	170.9	59.2	0	0	0	0	110.9
755	P	40.2	Very low	29.8	Very low	117 Å²	117	134.9 Å²	134.9	76%	0.76	75%	0.747	S	S	*	*			cis	-140.8	-159.5	3.8	43.2	-21	0	0	0	116.3
756	S	24.8	Very low	30	Very low	107 Å²	107	136.1 Å²	136.1	75%	0.748	74%	0.741	S	S	*	*			trans	-68.5	-157.6	176.4	-30.8	0	0	0	0	115.1
757	P	41.9	Very low	30.1	Very low	123 Å²	123	140.7 Å²	140.7	80%	0.799	74%	0.744	S	S	*	*			cis	-139.1	-164.8	-17.5	34.2	-11	0	0	0	115.2
758	C	23	Very low	30.1	Very low	114 Å²	114	137.5 Å²	137.5	77%	0.77	74%	0.739	S	S	*	*			trans	108.3	116.5	138.2	-145	0	0	0	0	123.1
759	N	23.9	Very low	30.2	Very low	148 Å²	148	135.8 Å²	135.8	79%	0.791	75%	0.747	S	S	*	*			trans	55.3	173.9	145.2	-112.6	12.1	0	0	0	122.3
760	P	46.6	Very low	31.2	Very low	105 Å²	105	134.4 Å²	134.4	68%	0.682	75%	0.754	S	S	*	*			cis	-129.4	172.7	-4.8	39.7	-22.2	0	0	0	116.4
761	Q	26.7	Very low	31.7	Very low	192 Å²	192	131.8 Å²	131.8	90%	0.897	76%	0.758	S	S	*	*			trans	-148.6	133.5	177.8	-66.2	-173.2	-11.2	0	0	115.2
762	P	47.7	Very low	31.9	Very low	119 Å²	119	128.9 Å²	128.9	77%	0.773	76%	0.761	S	S	*	*			trans	-135	-172.9	171.8	46.6	-32.2	0	0	0	112.8
763	L	28.6	Very low	32.3	Very low	153 Å²	153	129.9 Å²	129.9	80%	0.801	77%	0.767	S	S	*	*			cis	-160.4	175	-0	-152.2	58.7	0	0	0	111.8
764	Q	26.8	Very low	32.4	Very low	145 Å²	145	125.5 Å²	125.5	68%	0.678	76%	0.761	S	S	*	*			trans	64.3	103.1	158.7	-67.5	-135.4	30	0	0	123.3
765	Q	31.6	Very low	33.8	Very low	150 Å²	150	126.5 Å²	126.5	70%	0.701	77%	0.765	S	S	*	*				65	138.9	127.1	-63.7	-161.7	106	0	0	120.7
766	Q	29	Very low	34.2	Very low	132 Å²	132	127 Å²	127	62%	0.617	77%	0.769	S	S	*	*			cis	-174.5	148.1	7.4	151.2	-177.1	-80.3	0	0	113.9
767	Y	31.2	Very low	34.4	Very low	202 Å²	202	125.5 Å²	125.5	79%	0.792	77%	0.77	S	S	*	*			trans	58.5	154.4	165.9	-63.5	-41.8	0	0	0	120.7
768	S	27.9	Very low	34.8	Very low	96 Å²	96	126.2 Å²	126.2	67%	0.671	78%	0.775	S	S	*	*			cis	-169.5	126.6	-20.8	-86.6	0	0	0	0	107.3
769	A	29.2	Very low	35.4	Very low	94 Å²	94	123.9 Å²	123.9	78%	0.777	77%	0.77	S	S	*	*				60.2	149.1	83.5	0	0	0	0	0	116.8
770	P	49.7	Very low	36.3	Very low	130 Å²	130	124 Å²	124	84%	0.844	78%	0.776	S	S	*	*			cis	-127.8	-142	-20.1	44.7	-26.4	0	0	0	110.4
771	A	34.1	Very low	35.9	Very low	91 Å²	91	127.6 Å²	127.6	75%	0.752	79%	0.785	S	S	*	*			cis	-163	143.4	-10.1	0	0	0	0	0	111.9
772	G	31.8	Very low	36.3	Very low	74 Å²	74	125.4 Å²	125.4	76%	0.763	79%	0.785	S	S	*	*			trans	83.9	160.5	132.6	0	0	0	0	0	121.6
773	V	30.8	Very low	35.6	Very low	157 Å²	157	126.7 Å²	126.7	95%	0.952	78%	0.782	S	S	*	*			cis	-154.5	167	-12.7	-160.7	0	0	0	0	108.2
774	A	28.1	Very low	36	Very low	89 Å²	89	123.7 Å²	123.7	74%	0.736	76%	0.764	S	S	*	*			trans	-113.3	-123.9	-173.1	0	0	0	0	0	117.1
775	P	56.5	Low	36	Very low	118 Å²	118	124 Å²	124	77%	0.766	77%	0.77	S	S	*	*				-127.4	-160.5	-122.6	42.6	-22.8	0	0	0	113.5
776	P	47.6	Very low	35.8	Very low	129 Å²	129	118.8 Å²	118.8	84%	0.838	75%	0.75	S	S	*	*			cis	-129.2	-165.8	-10.8	43.8	-27.8	0	0	0	113.9
777	G	30.7	Very low	36	Very low	74 Å²	74	117.2 Å²	117.2	76%	0.763	75%	0.749	S	S	*	*			trans	161.6	134.1	153.1	0	0	0	0	0	119.5
778	P	50	Low	36.3	Very low	139 Å²	139	111.7 Å²	111.7	90%	0.903	74%	0.738	S	S	*	*			trans	-112.7	162.9	-175.1	40.9	-32.5	0	0	0	115.4
779	G	34.2	Very low	36.3	Very low	65 Å²	65	111.2 Å²	111.2	67%	0.67	73%	0.728	S	S	*	*			trans	-179.5	133.1	168.4	0	0	0	0	0	113.4
780	V	44.3	Very low	36.4	Very low	151 Å²	151	107.7 Å²	107.7	92%	0.915	70%	0.7	S	S	*	*			trans	-87.6	151.2	179.3	-65.9	0	0	0	0	111.8
781	M	36.7	Very low	35.6	Very low	180 Å²	180	105.5 Å²	105.5	89%	0.887	69%	0.686	S	S	*	*			trans	-138.4	172.2	-177.7	-59	-172.5	-173.7	0	0	110.7
782	V	35.5	Very low	35.4	Very low	145 Å²	145	107.5 Å²	107.5	88%	0.879	68%	0.68	S	S	*	*			trans	-130.3	153.8	-177.7	-71.9	0	0	0	0	112.1
783	M	33.9	Very low	35.4	Very low	147 Å²	147	107.4 Å²	107.4	72%	0.724	67%	0.666	S	S	*	*			trans	-48.1	161.3	166.3	-80.5	175	164.7	0	0	113.5
784	Q	35.9	Very low	35.2	Very low	89 Å²	89	105 Å²	105	42%	0.416	66%	0.656	S	S	.	*			cis	-173.5	151.5	-13.6	159.3	60.5	-15	0	0	106.9	P690 V691	P690-Q784 PolarHBondContact O-NE2 3.14Å; V691-Q784 HydrophobicContact CG1-CG 4.26Å
785	L	26.6	Very low	35.2	Very low	152 Å²	152	109.6 Å²	109.6	80%	0.796	66%	0.662	S	S	*	*			trans	-147.7	133	172.5	-108.4	146.2	0	0	0	116.4
786	S	28.9	Very low	33.8	Very low	41 Å²	41	110 Å²	110	29%	0.287	66%	0.657	S	S	.	*			trans	-62.8	166.9	161.6	-31.4	0	0	0	0	111.9	V689 P690	V689-S786 WeakPolarHBondContact CG1-OG 3.39Å; P690-S786 VanDerWaalsContact CD-CA 3.49Å; P690-S786 VanDerWaalsContact CD-CB 3.43Å; P690-S786 WeakPolarHBondContact CD-OG 3.41Å
787	V	32.6	Very low	33.5	Very low	98 Å²	98	108.7 Å²	108.7	59%	0.594	65%	0.649	S	S	*	*			cis	-160.9	-169.7	29.6	-122	0	0	0	0	107.3	Q688 V689	Q688-V787 HydrophobicContact CG-CG1 4.12Å; V689-V787 HydrophobicContact CG2-CG1 3.67Å
788	P	36.9	Very low	33.6	Very low	87 Å²	87	110.1 Å²	110.1	57%	0.565	65%	0.645	S	S	*	*			cis	-132.6	-166.9	-16.3	29	-5.3	0	0	0	112.8
789	N	28.9	Very low	32.5	Very low	86 Å²	86	110.1 Å²	110.1	46%	0.46	64%	0.637	S	S	.	*			trans	82.4	158.1	151.3	-67.7	-22.4	0	0	0	121.1	P685 S686 Y687	P685-N789 HydrophobicContact CB-CB 4.4Å; P685-N789 WeakPolarHBondContact CB-OD1 3.44Å; S686-N789 WeakPolarHBondContact CA-OD1 3.14Å; S686-N789 WeakPolarHBondContact CB-OD1 3.36Å; Y687-N789 VanDerWaalsContact CB-C 3.5Å; Y687-N789 WeakPolarHBondContact CB-O 3.41Å; Y687-N789 PolarHBondContact O-N 3.05Å
790	G	30.3	Very low	32.3	Very low	19 Å²	19	114.1 Å²	114.1	20%	0.196	65%	0.648	C	S	.	*			trans	155.7	-162.5	-160.4	0	0	0	0	0	107.5	M684 P685 S686	M684-G790 WeakPolarHBondContact CE-O 3.33Å; M684-G790 VanDerWaalsContact SD-C 3.51Å; P685-G790 CarbonylContact C-O 3.05Å; P685-G790 WeakPolarHBondContact CA-O 3.45Å; S686-G790 WeakPolarHBondContact CA-O 3.04Å; S686-G790 PolarHBondContact N-O 3.02Å; S686-G790 VanDerWaalsContact N-O 3.09Å
791	P	33	Very low	31.6	Very low	84 Å²	84	114.5 Å²	114.5	55%	0.545	64%	0.64	S	S	.	*			cis	-129.8	-29.9	-10.8	38.5	-23.9	0	0	0	117	S686	S686-P791 WeakPolarHBondContact O-CD 3.19Å
792	Q	29.5	Very low	31.2	Very low	134 Å²	134	116 Å²	116	63%	0.626	64%	0.636	S	S	*	*			trans	-158.2	159.5	-162	-85.5	-121.5	-28.3	0	0	111.5	M684	M684-Q792 PolarHBondContact SD-N 2.85Å
793	P	33.3	Very low	31.5	Very low	72 Å²	72	115.3 Å²	115.3	47%	0.468	63%	0.627	S	S	.	*			cis	-129.5	167.5	31.5	44.1	-29.3	0	0	0	115.3	P682	P682-P793 HydrophobicContact CB-CG 3.84Å; P682-P793 HydrophobicContact CG-CG 3.51Å
794	S	26.9	Very low	31.1	Very low	105 Å²	105	114 Å²	114	73%	0.734	63%	0.629	S	S	*	*				-156.7	-179.1	86.4	68	0	0	0	0	113.9
795	Q	27.3	Very low	30.6	Very low	186 Å²	186	114.8 Å²	114.8	87%	0.869	64%	0.644	S	S	*	*			trans	-78.2	138.2	-156.3	-55.6	-178.7	-3.2	0	0	116.5
796	N	27.1	Very low	30.5	Very low	126 Å²	126	117.1 Å²	117.1	67%	0.674	65%	0.648	S	S	*	*				-16.5	174.8	122.9	-90.2	-67.2	0	0	0	117.7
797	P	40.4	Very low	30.5	Very low	102 Å²	102	125.4 Å²	125.4	66%	0.662	67%	0.674	S	S	*	*			cis	-130.3	-163.3	-24.6	31.8	-10	0	0	0	110.1
798	P	34	Very low	30.1	Very low	105 Å²	105	131.1 Å²	131.1	68%	0.682	69%	0.686	S	S	*	*			cis	-110	141.6	-14.3	34.7	-20.7	0	0	0	112.4
799	L	26.3	Very low	29.6	Very low	139 Å²	139	131.7 Å²	131.7	73%	0.728	69%	0.692	S	S	*	*				50.3	73.2	75.3	-79.1	169.6	0	0	0	113.4
800	V	29.1	Very low	29.6	Very low	149 Å²	149	134 Å²	134	90%	0.903	70%	0.703	S	S	*	*			trans	-117	82.5	149.7	-175.5	0	0	0	0	107.4
801	Q	30.7	Very low	29.6	Very low	158 Å²	158	137 Å²	137	74%	0.738	71%	0.713	S	S	*	*			trans	-138.6	121.8	173.9	-170.6	167.4	48.6	0	0	111.7
802	W	27.6	Very low	29.4	Very low	212 Å²	212	136.5 Å²	136.5	80%	0.803	70%	0.703	S	S	*	*	S	Bend	trans	53.6	100	167.2	-76.3	103.3	0	0	0	119
803	N	42.5	Very low	29.3	Very low	130 Å²	130	140.4 Å²	140.4	70%	0.695	71%	0.712	S	S	*	*			trans	61.9	108.5	151.9	-62.7	-12.8	0	0	0	120.4
804	P	24.2	Very low	29	Very low	119 Å²	119	142.1 Å²	142.1	77%	0.773	72%	0.723	S	S	*	*			trans	-95.8	141	131.1	14	5.1	0	0	0	109.3
805	C	27.4	Very low	29.2	Very low	107 Å²	107	139.3 Å²	139.3	72%	0.723	70%	0.703	S	S	*	*			cis	-155.5	151.1	6.1	-87.3	0	0	0	0	106.2
806	K	24.1	Very low	29.4	Very low	201 Å²	201	138.7 Å²	138.7	87%	0.874	70%	0.698	S	S	*	*			cis	45	70.8	17	-79.7	-169.2	179.2	179.5	0	113.6
807	Y	28.3	Very low	29.7	Very low	215 Å²	215	137.7 Å²	137.7	84%	0.843	70%	0.698	S	S	*	*				-160.6	119.2	128.8	-124.3	-87.9	0	0	0	112
808	Y	24.9	Very low	29.2	Very low	217 Å²	217	135.1 Å²	135.1	85%	0.851	69%	0.69	S	S	*	*			trans	-87.2	121.6	167.4	-145.9	-92.2	0	0	0	106.3
809	S	25.7	Very low	28.8	Very low	99 Å²	99	138.2 Å²	138.2	69%	0.692	70%	0.696	S	S	*	*			trans	-162.4	105	156.5	-158.1	0	0	0	0	111.8
810	I	29.1	Very low	29	Very low	135 Å²	135	135.4 Å²	135.4	69%	0.692	68%	0.681	S	S	*	*			trans	-98.1	165.6	162.3	-167.7	60.8	0	0	0	108.7
811	E	30.2	Very low	29	Very low	83 Å²	83	136.2 Å²	136.2	39%	0.388	67%	0.669	S	S	.	*	S	Bend	trans	68.9	161.8	167.6	-94.7	-59.1	-31.1	0	0	118.2	F341 S342	F341-E811 WeakPolarHBondContact CA-OE1 3.34Å; F341-E811 PolarHBondContact N-OE1 2.82Å; S342-E811 WeakPolarHBondContact CB-OE2 3.44Å; S342-E811 VanDerWaalsContact N-CD 3.28Å; S342-E811 PolarHBondContact N-OE1 2.67Å; S342-E811 PolarHBondContact N-OE2 3.22Å; S342-E811 PolarHBondContact OG-OE2 3.16Å
812	Q	28.6	Very low	29.2	Very low	73 Å²	73	137.8 Å²	137.8	34%	0.341	67%	0.673	S	S	.	*			trans	-63.8	146.2	174.6	-85.2	-177.7	25.4	0	0	111.7	S340 F341 S342	S340-Q812 VanDerWaalsContact OG-CD 3.3Å; S340-Q812 PolarHBondContact OG-NE2 2.88Å; S340-Q812 PolarHBondContact OG-OE1 3.07Å; F341-Q812 VanDerWaalsContact C-NE2 3.34Å; F341-Q812 PolarHBondContact O-NE2 2.95Å; S342-Q812 PolarHBondContact O-NE2 2.98Å
813	R	27.4	Very low	30.2	Very low	216 Å²	216	132.7 Å²	132.7	82%	0.815	67%	0.668	S	S	*	*			trans	-140.9	152.2	144.1	-73.6	-163.5	179.3	91.1	1.3	110.5
814	P	26.3	Very low	29.5	Very low	107 Å²	107	132.7 Å²	132.7	70%	0.695	67%	0.668	S	S	*	*			cis	-127	140.7	6.5	35.3	-18.7	0	0	0	115.3
815	S	32.8	Very low	29.6	Very low	46 Å²	46	133 Å²	133	32%	0.322	66%	0.663	S	S	.	*			trans	-104.4	95.2	142.7	-74.4	0	0	0	0	110.3
816	K	30.5	Very low	29.8	Very low	174 Å²	174	133.3 Å²	133.3	76%	0.757	66%	0.661	S	S	*	*			trans	-121	159	162	-83.9	-170.3	175.4	-175.7	0	108.7	K337	K337-K816 WeakPolarHBondContact CE-O 3.46Å; K337-K816 VanDerWaalsContact NZ-C 3.31Å; K337-K816 PolarHBondContact NZ-O 3.36Å
817	P	33.9	Very low	30.8	Very low	104 Å²	104	128.6 Å²	128.6	68%	0.675	65%	0.651	S	S	*	*			cis	-125.1	-155.3	-42.4	37.2	-19.8	0	0	0	109.2	K337	K337-P817 WeakPolarHBondContact CD-O 3.47Å; K337-P817 PolarHBondContact NZ-O 3.23Å
818	G	29.9	Very low	31	Very low	49 Å²	49	127 Å²	127	51%	0.505	65%	0.651	S	S	.	*			trans	97.2	94.1	177	0	0	0	0	0	112
819	E	26	Very low	31.3	Very low	170 Å²	170	120.4 Å²	120.4	79%	0.794	64%	0.642	S	S	*	*			cis	82.3	127.4	43.2	-146.7	-155.8	178.2	0	0	114.3
820	L	29.1	Very low	31.3	Very low	80 Å²	80	120.6 Å²	120.6	42%	0.419	64%	0.643	S	S	.	*			trans	66.6	97.7	150.2	-115	66.1	0	0	0	120.2	R332	R332-L820 WeakPolarHBondContact CD-O 3.25Å
821	Y	29.8	Very low	31.4	Very low	165 Å²	165	119.8 Å²	119.8	65%	0.647	64%	0.644	S	S	*	*				177.2	149	89.8	-119.2	-95.1	0	0	0	113	R332	R332-Y821 VanDerWaalsContact NH1-CD2 3.35Å; R332-Y821 VanDerWaalsContact NH1-CE2 3.26Å
822	K	35.4	Very low	31.3	Very low	192 Å²	192	123.1 Å²	123.1	84%	0.835	66%	0.66	S	S	*	*			trans	-80.6	-166.7	155.7	-93.8	-173	176.1	-173.7	0	108.6
823	P	48.4	Very low	31.4	Very low	105 Å²	105	125.9 Å²	125.9	68%	0.682	68%	0.677	S	S	*	*			cis	-116	-162.2	-8.2	42.7	-25.3	0	0	0	110
824	D	27.1	Very low	31.5	Very low	130 Å²	130	121.9 Å²	121.9	70%	0.695	68%	0.676	S	S	*	*			cis	-159.6	166.7	30.4	-136.3	-122.9	0	0	0	106.3
825	N	26.4	Very low	31.5	Very low	125 Å²	125	121.9 Å²	121.9	67%	0.668	68%	0.679	S	S	*	*			cis	-149.9	163	15.8	-169.1	-63.9	0	0	0	109.5
826	T	31.7	Very low	32.1	Very low	114 Å²	114	125.2 Å²	125.2	70%	0.699	70%	0.699	S	S	*	*			trans	-53.2	177.5	169.4	24.8	0	0	0	0	116.4
827	P	45.7	Very low	32	Very low	101 Å²	101	124.8 Å²	124.8	66%	0.656	70%	0.704	S	S	*	*			cis	-135.9	150.1	19.2	27.9	-3.2	0	0	0	120.3
828	Q	32.1	Very low	31.8	Very low	182 Å²	182	124.3 Å²	124.3	85%	0.85	71%	0.709	S	S	*	*			trans	67.4	145.7	130.5	-69	179.1	-50.4	0	0	120.8
829	A	30.5	Very low	32	Very low	78 Å²	78	127.7 Å²	127.7	65%	0.645	73%	0.725	S	S	*	*			cis	-161.1	135	-5.7	0	0	0	0	0	108.1
830	S	27.1	Very low	32.9	Very low	104 Å²	104	125.8 Å²	125.8	73%	0.727	73%	0.728	S	S	*	*				78	140.9	99.8	-145.5	0	0	0	0	113.3
831	T	30.1	Very low	33	Very low	117 Å²	117	127.7 Å²	127.7	72%	0.718	74%	0.743	S	S	*	*			cis	-175.7	175.8	-4.1	17.9	0	0	0	0	107.8
832	Q	28.6	Very low	33	Very low	154 Å²	154	127.8 Å²	127.8	72%	0.72	75%	0.749	S	S	*	*			cis	-157.3	155.2	1.8	-123.2	-160.5	137.6	0	0	109.9
833	L	31.2	Very low	32.8	Very low	131 Å²	131	123.9 Å²	123.9	69%	0.686	75%	0.746	S	S	*	*			trans	68	149.3	141.5	-65.4	173.2	0	0	0	125.9
834	T	29.4	Very low	32.7	Very low	132 Å²	132	124.2 Å²	124.2	81%	0.81	75%	0.748	S	S	*	*			trans	78.7	105.7	149.2	24.9	0	0	0	0	122
835	S	25.4	Very low	33	Very low	107 Å²	107	124.3 Å²	124.3	75%	0.748	75%	0.754	S	S	*	*			trans	-63	-176.9	149	-30.2	0	0	0	0	112
836	P	46.3	Very low	33.7	Very low	115 Å²	115	124 Å²	124	75%	0.747	76%	0.759	S	S	*	*			cis	-139.7	-179.1	-1.8	37.4	-16.5	0	0	0	117.1
837	L	28.5	Very low	33.5	Very low	165 Å²	165	124.3 Å²	124.3	86%	0.864	77%	0.765	S	S	*	*			trans	106.8	122.6	133.9	-149.5	66	0	0	0	121.2
838	A	29	Very low	33.3	Very low	94 Å²	94	125.7 Å²	125.7	78%	0.777	77%	0.774	S	S	*	*			trans	46.4	118.1	154.2	0	0	0	0	0	121.5
839	S	33.9	Very low	33.3	Very low	120 Å²	120	122.1 Å²	122.1	84%	0.839	77%	0.769	S	S	*	*			trans	-105.9	154.1	-175.1	-53.3	0	0	0	0	115.1
840	P	45.1	Very low	33.4	Very low	131 Å²	131	120.8 Å²	120.8	85%	0.851	76%	0.763	S	S	*	*			trans	-90.5	177.4	-178.5	36.9	-37.8	0	0	0	115.7
841	T	30.8	Very low	33.8	Very low	119 Å²	119	117.9 Å²	117.9	73%	0.73	74%	0.742	S	S	*	*			trans	-110.3	142	-172.4	-51.2	0	0	0	0	113.2
842	Q	29.6	Very low	33.7	Very low	168 Å²	168	115.8 Å²	115.8	79%	0.785	73%	0.73	S	S	*	*			trans	39.4	109.6	157.1	-66.5	-179.9	86.3	0	0	122.5
843	S	31.7	Very low	33.9	Very low	109 Å²	109	114.1 Å²	114.1	76%	0.762	73%	0.726	S	S	*	*			trans	53.6	169.8	131.7	68.3	0	0	0	0	122.1
844	P	47.7	Very low	34	Very low	113 Å²	113	111.7 Å²	111.7	73%	0.734	72%	0.719	S	S	*	*				-119.7	166	-62.4	36.6	-24.5	0	0	0	114.9
845	T	33.3	Very low	34.2	Very low	132 Å²	132	112 Å²	112	81%	0.81	72%	0.72	S	S	*	*			trans	-21.4	150	168.8	35.9	0	0	0	0	119.5
846	P	40.8	Very low	34.5	Very low	119 Å²	119	112.9 Å²	112.9	77%	0.773	73%	0.726	S	S	*	*				-148.9	167.9	51	40.4	-21	0	0	0	119.1
847	S	26.3	Very low	34.6	Very low	119 Å²	119	113.2 Å²	113.2	83%	0.832	73%	0.728	S	S	*	*			trans	-161.1	143.9	160.1	-78.9	0	0	0	0	112.8
848	P	41.7	Very low	34.6	Very low	130 Å²	130	108.8 Å²	108.8	84%	0.844	72%	0.722	S	S	*	*			trans	-92.3	167.3	176.9	35.8	-33.8	0	0	0	114.9
849	S	31.7	Very low	34.9	Very low	108 Å²	108	113.1 Å²	113.1	76%	0.755	73%	0.731	S	S	*	*			trans	-75.5	167.7	-170.1	-39.9	0	0	0	0	115.6
850	G	34.3	Very low	34.7	Very low	49 Å²	49	110.9 Å²	110.9	51%	0.505	73%	0.727	S	S	.	*			cis	172.9	-169.9	-0.1	0	0	0	0	0	114.2	K30	K30-G850 VanDerWaalsContact CB-O 3.29Å; K30-G850 WeakPolarHBondContact CB-O 3.17Å
851	S	34.4	Very low	34.8	Very low	43 Å²	43	111.2 Å²	111.2	30%	0.301	73%	0.729	S	S	.	*			trans	168.4	174.7	177.5	31.9	0	0	0	0	111.3	K28 M29 K30	K28-S851 WeakPolarHBondContact O-CB 3.49Å; M29-S851 WeakPolarHBondContact CA-OG 3.21Å; M29-S851 VanDerWaalsContact N-CB 3.27Å; M29-S851 PolarHBondContact N-OG 3.1Å; M29-S851 PolarHBondContact O-OG 2.77Å; K30-S851 PolarHBondContact N-OG 3.18Å
852	V	28.7	Very low	34.9	Very low	74 Å²	74	113.3 Å²	113.3	45%	0.448	74%	0.735	S	S	.	*			cis	-145.2	173.7	-19.3	-132.2	0	0	0	0	106.8	K28 M29	K28-V852 VanDerWaalsContact CD-O 3.28Å; K28-V852 WeakPolarHBondContact CD-O 3.34Å; K28-V852 WeakPolarHBondContact CE-O 3.47Å; K28-V852 PolarHBondContact NZ-O 3.45Å; K28-V852 WeakPolarHBondContact O-CA 3.35Å; M29-V852 HydrophobicContact SD-CG1 4.46Å
853	N	31.9	Very low	36	Very low	119 Å²	119	110.4 Å²	110.4	64%	0.636	73%	0.73	S	S	*	*			cis	-157	-164.2	13.4	-159.6	8	0	0	0	111
854	S	33.8	Very low	36	Very low	79 Å²	79	112.5 Å²	112.5	55%	0.552	73%	0.733	S	S	*	*			trans	-66.5	179.6	179.2	-46.9	0	0	0	0	116.6
855	V	32.8	Very low	35.2	Very low	138 Å²	138	114.3 Å²	114.3	84%	0.836	73%	0.734	S	S	*	*			cis	-150.4	138.2	18.5	-176.8	0	0	0	0	111
856	C	31.4	Very low	35	Very low	127 Å²	127	112.8 Å²	112.8	86%	0.858	73%	0.729	S	S	*	*			trans	-170.4	126.7	165.4	-173	0	0	0	0	115.4
857	P	48.8	Very low	34.4	Very low	122 Å²	122	114.3 Å²	114.3	79%	0.792	73%	0.726	S	S	*	*			trans	-145.3	163.8	166.5	40.3	-24.1	0	0	0	117.5
858	G	29.4	Very low	34.6	Very low	72 Å²	72	115.4 Å²	115.4	74%	0.742	72%	0.716	S	S	*	*			trans	152.2	113.7	152.5	0	0	0	0	0	121.5
859	L	35.1	Very low	34	Very low	185 Å²	185	115.9 Å²	115.9	97%	0.969	71%	0.707	S	S	*	*			trans	73.2	142.3	156	-52.5	-179.1	0	0	0	122.2
860	G	28.8	Very low	33.8	Very low	73 Å²	73	119.2 Å²	119.2	75%	0.753	70%	0.703	S	S	*	*			trans	-111	-162.1	170.4	0	0	0	0	0	112.5
861	P	48.4	Very low	35	Very low	137 Å²	137	123.3 Å²	123.3	89%	0.89	72%	0.72	S	S	*	*			cis	-136.8	-171.5	36.5	39	-18.5	0	0	0	117.4
862	L	32	Very low	34.9	Very low	164 Å²	164	125.2 Å²	125.2	86%	0.859	75%	0.747	S	S	*	*			trans	-67.1	-176.5	-178.8	-71.3	168.9	0	0	0	115.6
863	P	52.5	Low	35.6	Very low	106 Å²	106	125.2 Å²	125.2	69%	0.688	76%	0.762	S	S	*	*			cis	-135.5	172.5	-0.4	30	-7.8	0	0	0	117.3
864	L	31.8	Very low	37	Very low	154 Å²	154	126.1 Å²	126.1	81%	0.806	77%	0.774	S	S	*	*				172.4	105.2	120.8	-90.4	162.7	0	0	0	114.9
865	I	30.6	Very low	37.3	Very low	150 Å²	150	127.3 Å²	127.3	77%	0.769	79%	0.789	S	S	*	*			trans	58.3	117.3	138.1	-62.7	176.6	0	0	0	122.7
866	S	29.1	Very low	38	Very low	100 Å²	100	130.4 Å²	130.4	70%	0.699	79%	0.794	S	S	*	*			trans	29.7	159.8	134.3	-92.1	0	0	0	0	124.2
867	Q	29.6	Very low	38	Very low	152 Å²	152	128 Å²	128	71%	0.71	79%	0.791	S	S	*	*			cis	-173.5	154.2	-26.2	-115.1	-167.3	12.8	0	0	108.6
868	F	29.6	Very low	37.4	Very low	142 Å²	142	130.3 Å²	130.3	62%	0.623	80%	0.797	S	S	*	*			trans	55.6	138.6	161.1	-73.6	-70.5	0	0	0	124.1
869	Q	29	Very low	37.6	Very low	140 Å²	140	129.6 Å²	129.6	65%	0.654	79%	0.789	S	S	*	*			trans	-27.8	166.3	153.1	-42.2	150	-14.5	0	0	116.6
870	R	28.9	Very low	37.6	Very low	178 Å²	178	131.1 Å²	131.1	67%	0.672	78%	0.782	S	S	*	*			cis	-152	152.2	34.5	-60.8	83	-148.8	151.4	-2.4	112.5
871	P	58.5	Low	37.5	Very low	134 Å²	134	137.3 Å²	137.3	87%	0.87	78%	0.784	S	S	*	*			trans	-119	162.4	176.3	40.9	-31.4	0	0	0	116.6
872	G	32.5	Very low	36.8	Very low	83 Å²	83	135.9 Å²	135.9	86%	0.856	78%	0.777	S	S	*	*			trans	171.2	151.4	170.2	0	0	0	0	0	111.4
873	G	43.5	Very low	37.2	Very low	75 Å²	75	136.4 Å²	136.4	77%	0.773	78%	0.78	S	S	*	*			trans	163.7	-167.6	-175.5	0	0	0	0	0	112.5
874	P	60.1	Low	36.4	Very low	137 Å²	137	140.1 Å²	140.1	89%	0.89	79%	0.793	S	S	*	*			cis	-121.7	-155.6	3.9	43.6	-29.5	0	0	0	113.2
875	A	41.1	Very low	36.3	Very low	105 Å²	105	135.3 Å²	135.3	87%	0.868	78%	0.78	S	S	*	*			trans	-146.8	-178.6	176.9	0	0	0	0	0	112.6
876	Q	46.9	Very low	36.2	Very low	202 Å²	202	137 Å²	137	94%	0.944	79%	0.785	S	S	*	*			trans	-136.1	138.1	175.6	-163.6	-173.1	17	0	0	110.9
877	G	32.8	Very low	37.4	Very low	76 Å²	76	137.5 Å²	137.5	78%	0.784	79%	0.786	S	S	*	*			trans	167.8	139.8	175.2	0	0	0	0	0	113.6
878	D	34.8	Very low	37.5	Very low	172 Å²	172	138.1 Å²	138.1	92%	0.92	79%	0.793	S	S	*	*			trans	-75.8	163.8	173.9	-153.3	-30.1	0	0	0	111.3
879	G	34.4	Very low	37.3	Very low	56 Å²	56	138.6 Å²	138.6	58%	0.577	80%	0.797	S	S	*	*			trans	79.5	84.2	154.1	0	0	0	0	0	121.2
880	R	35	Very low	37.1	Very low	217 Å²	217	141.7 Å²	141.7	82%	0.819	81%	0.805	S	S	*	*			trans	75.6	134.6	134.2	-43	-144.7	-67.8	177.1	-3.2	122.6
881	Y	27	Very low	36.9	Very low	204 Å²	204	137.1 Å²	137.1	80%	0.8	80%	0.8	S	S	*	*			trans	75.7	161.2	157.3	-72.3	-68.4	0	0	0	121.2
882	S	33.5	Very low	35.3	Very low	106 Å²	106	138.6 Å²	138.6	74%	0.741	80%	0.8	S	S	*	*			trans	-85.6	119.1	-150.2	-50.8	0	0	0	0	115.5
883	L	39.4	Very low	35.1	Very low	176 Å²	176	140.2 Å²	140.2	92%	0.921	80%	0.796	S	S	*	*			trans	49.2	114.9	146.1	-55.5	178.4	0	0	0	119.7
884	L	35.3	Very low	35.5	Very low	184 Å²	184	142.3 Å²	142.3	96%	0.963	80%	0.797	S	S	*	*			trans	-143.4	162	162.9	-172	58	0	0	0	110.2
885	G	30.8	Very low	35.5	Very low	52 Å²	52	141.1 Å²	141.1	54%	0.536	79%	0.789	S	S	.	*			trans	177.8	-166.3	179	0	0	0	0	0	113.8
886	Q	28.3	Very low	35.9	Very low	186 Å²	186	141.2 Å²	141.2	87%	0.869	78%	0.78	S	S	*	*			trans	68.4	169	-172.5	-41	-54.5	-9.8	0	0	113.1
887	P	54.6	Low	35.3	Very low	110 Å²	110	138.7 Å²	138.7	71%	0.714	77%	0.773	S	S	*	*			cis	-117.1	-0	-4.5	42.2	-33.5	0	0	0	115.8
888	L	30.6	Very low	35.1	Very low	166 Å²	166	142.4 Å²	142.4	87%	0.869	77%	0.772	S	S	*	*			trans	60.7	-135.4	-164.9	-46.3	178.8	0	0	0	111.6
889	Q	26	Very low	34.9	Very low	151 Å²	151	143.4 Å²	143.4	71%	0.706	77%	0.77	S	S	*	*			trans	69.4	122.5	-169.5	-79	-127.8	45.6	0	0	114.5
890	Y	24.3	Very low	34.5	Very low	206 Å²	206	143.6 Å²	143.6	81%	0.808	77%	0.772	S	S	*	*				63.7	144.2	106.2	-84.6	-118	0	0	0	114.2
891	S	24.9	Very low	34	Very low	82 Å²	82	142.4 Å²	142.4	57%	0.573	78%	0.776	S	S	*	*			cis	-178.3	-176.1	-9.4	51.6	0	0	0	0	109.2
892	L	25.6	Very low	34.1	Very low	165 Å²	165	137 Å²	137	86%	0.864	77%	0.768	S	S	*	*			trans	81.6	119.6	155.9	-63.5	155.7	0	0	0	120.8
893	C	28	Very low	33.6	Very low	116 Å²	116	137.6 Å²	137.6	78%	0.784	77%	0.772	S	S	*	*			trans	-40.7	179.4	150.2	-69.3	0	0	0	0	118
894	P	52.4	Low	33	Very low	120 Å²	120	140 Å²	140	78%	0.779	77%	0.771	S	S	*	*			cis	-130.8	-126.2	-16.5	27.2	-0.2	0	0	0	114.2
895	P	59.3	Low	32.5	Very low	111 Å²	111	138.9 Å²	138.9	72%	0.721	77%	0.766	S	S	*	*				-121.9	-166.3	-124.4	46.1	-24.9	0	0	0	113
896	P	50.8	Low	32.3	Very low	107 Å²	107	139.9 Å²	139.9	70%	0.695	76%	0.764	S	S	*	*				-157.3	170	66.7	39.4	-15.1	0	0	0	119.8
897	L	32.6	Very low	32.6	Very low	150 Å²	150	139.2 Å²	139.2	79%	0.785	76%	0.761	S	S	*	*			trans	51.7	121.4	140.8	-64.4	166.3	0	0	0	126.3
898	M	29.3	Very low	31.3	Very low	154 Å²	154	143.4 Å²	143.4	76%	0.759	77%	0.771	S	S	*	*				77.7	149.2	125.8	-65.7	-64.9	106.8	0	0	125.3
899	H	30.4	Very low	31.2	Very low	193 Å²	193	138.2 Å²	138.2	89%	0.894	76%	0.757	S	S	*	*			trans	64.3	151.2	175	-77.8	83.7	0	0	0	117
900	G	26	Very low	31.4	Very low	60 Å²	60	140.9 Å²	140.9	62%	0.619	77%	0.77	S	S	*	*			cis	163.7	140.7	-8.3	0	0	0	0	0	112.5
901	Q	25.4	Very low	31.6	Very low	191 Å²	191	134.3 Å²	134.3	89%	0.893	77%	0.765	S	S	*	*			trans	67.6	147.9	163.2	-70.6	-62.2	-19.6	0	0	122.6
902	S	27.6	Very low	31.8	Very low	91 Å²	91	137 Å²	137	64%	0.636	78%	0.777	S	S	*	*			trans	-46.2	148.1	176.8	-174.3	0	0	0	0	117.9
903	S	24.6	Very low	32.2	Very low	119 Å²	119	136.4 Å²	136.4	83%	0.832	77%	0.774	S	S	*	*			trans	-163.5	140.2	133.7	-82.8	0	0	0	0	113.7
904	Y	26.1	Very low	32.3	Very low	226 Å²	226	139.6 Å²	139.6	89%	0.886	77%	0.774	S	S	*	*			trans	-65.1	146.2	164.2	-95.8	-121.6	0	0	0	111.6
905	N	25.2	Very low	31.3	Very low	161 Å²	161	143 Å²	143	86%	0.861	78%	0.779	S	S	*	*				-162	162	112.8	-147.2	-14.5	0	0	0	112.1
906	S	26.2	Very low	29.7	Very low	72 Å²	72	141.4 Å²	141.4	50%	0.503	78%	0.783	S	S	.	*			trans	-115.8	165.9	-164.6	-177.1	0	0	0	0	113.4
907	H	34.4	Very low	28.6	Very low	173 Å²	173	141 Å²	141	80%	0.801	79%	0.789	S	S	*	*			trans	64.7	-179.1	-178	-41.8	-72.8	0	0	0	111.2
908	Q	28.5	Very low	28.6	Very low	198 Å²	198	146.2 Å²	146.2	93%	0.925	80%	0.798	S	S	*	*			cis	-146	138.3	5.4	179.2	-176.6	63.3	0	0	104.6
909	G	28.4	Very low	28.8	Very low	56 Å²	56	142.7 Å²	142.7	58%	0.577	80%	0.802	S	S	*	*			cis	154.7	169.6	17.5	0	0	0	0	0	106.1
910	Q	29.1	Very low	28.9	Very low	208 Å²	208	143.3 Å²	143.3	97%	0.972	80%	0.801	S	S	*	*			trans	64.3	126	178.4	-50.1	178.7	-13.8	0	0	114.2
911	G	29.3	Very low	29.3	Very low	68 Å²	68	149.7 Å²	149.7	70%	0.701	81%	0.812	S	S	*	*			cis	132.3	161.4	39.9	0	0	0	0	0	108.2
912	V	29.6	Very low	29.6	Very low	138 Å²	138	149.5 Å²	149.5	84%	0.836	81%	0.811	S	S	*	*			trans	79.2	84.8	166.2	-163.7	0	0	0	0	118.7
913	I	33.1	Very low	29.8	Very low	153 Å²	153	151.5 Å²	151.5	79%	0.785	82%	0.82	S	S	*	*			trans	11.7	142.2	130.6	24.3	171.4	0	0	0	122.4
914	K	30.6	Very low	30.3	Very low	182 Å²	182	153.3 Å²	153.3	79%	0.791	82%	0.819	S	S	*	*			trans	97.6	96.9	150.9	-77.1	-178.3	172.1	-179.2	0	120.8
915	H	31.1	Very low	30.4	Very low	192 Å²	192	152.9 Å²	152.9	89%	0.889	82%	0.822	S	S	*	*			trans	24.7	124.7	133.5	-55.3	-80.4	0	0	0	120.8
916	G	26.5	Very low	30.8	Very low	78 Å²	78	150 Å²	150	80%	0.804	82%	0.815	S	S	*	*			trans	-165	24.1	177.8	0	0	0	0	0	122.2
917	A	27.4	Very low	30.9	Very low	99 Å²	99	151.6 Å²	151.6	82%	0.818	83%	0.832	S	S	*	*			trans	67.2	144.3	157.5	0	0	0	0	0	123.6
918	R	31.7	Very low	30.7	Very low	258 Å²	258	149 Å²	149	97%	0.974	83%	0.833	S	S	*	*			trans	68.6	120.1	154.4	-74.6	-179.1	172.4	-175.1	-1.6	121.1
919	G	34.3	Very low	31	Very low	81 Å²	81	144.9 Å²	144.9	84%	0.835	82%	0.822	S	S	*	*			trans	174	55.1	164	0	0	0	0	0	114.6
920	K	31.3	Very low	31.1	Very low	205 Å²	205	149.6 Å²	149.6	89%	0.891	83%	0.834	S	S	*	*			trans	-75.1	134.1	-168.1	-59.1	176.1	179	-178.9	0	113.8
921	K	35.4	Very low	31.7	Very low	194 Å²	194	145.2 Å²	145.2	84%	0.843	82%	0.817	S	S	*	*			trans	-159	113.6	138.1	-112.6	168.2	-173.9	-179.4	0	114.2
922	Q	31.6	Very low	32.1	Very low	187 Å²	187	145.1 Å²	145.1	87%	0.874	82%	0.816	S	S	*	*			trans	39.5	100.9	149.6	-68.5	174.4	-26.7	0	0	120.4
923	T	30.8	Very low	32.8	Very low	133 Å²	133	142.2 Å²	142.2	82%	0.816	80%	0.798	S	S	*	*			trans	-111.1	136.2	147.7	-57	0	0	0	0	108.9
924	L	36.6	Very low	33.5	Very low	157 Å²	157	139.4 Å²	139.4	82%	0.822	79%	0.788	S	S	*	*			trans	9.7	117.9	163.1	-57.1	169.1	0	0	0	118.3	S926	L924-S926 PolarHBondContact O-N 3.08Å
925	K	28.1	Very low	34.4	Very low	218 Å²	218	133.5 Å²	133.5	95%	0.948	77%	0.765	S	S	*	*			trans	-79.4	88.9	161.7	-82.1	-172.4	172	-173.9	0	110.4
926	S	32.6	Very low	35.4	Very low	100 Å²	100	128.2 Å²	128.2	70%	0.699	75%	0.746	S	S	*	*			trans	-70.2	144.8	151.5	-52.1	0	0	0	0	108.8	L924 S928	L924-S926 PolarHBondContact O-N 3.08Å; S926-S928 PolarHBondContact O-N 2.95Å
927	A	29.5	Very low	36.9	Very low	105 Å²	105	126.7 Å²	126.7	87%	0.868	72%	0.722	S	S	*	*			trans	-64.7	121.7	177	0	0	0	0	0	110.5
928	S	29	Very low	38.8	Very low	119 Å²	119	123.4 Å²	123.4	83%	0.832	69%	0.691	S	S	*	*			trans	-93.9	112.8	165.3	-65.8	0	0	0	0	108.6	S926 D930	S926-S928 PolarHBondContact O-N 2.95Å; S928-D930 PolarHBondContact O-N 3.39Å
929	T	36.1	Very low	40.8	Very low	111 Å²	111	113.6 Å²	113.6	68%	0.681	66%	0.662	S	S	*	*			trans	-68.2	120.3	158.6	-45.2	0	0	0	0	107.3	L931	T929-L931 HydrophobicContact CG2-CD1 4.45Å; T929-L931 HydrophobicContact CG2-CD2 4.04Å; T929-L931 HydrophobicContact CG2-CG 4.05Å
930	D	30.4	Very low	43.3	Very low	155 Å²	155	112.7 Å²	112.7	83%	0.829	63%	0.633	S	S	*	*			trans	-70.6	128.9	172.8	-168	-93.1	0	0	0	109.3	S928	S928-D930 PolarHBondContact O-N 3.39Å
931	L	39.8	Very low	46.1	Very low	117 Å²	117	103 Å²	103	61%	0.613	59%	0.591	S	S	*	*			trans	-143.7	66.3	-166.2	-71.5	174	0	0	0	110.8	T929 T933	T929-L931 HydrophobicContact CG2-CD1 4.45Å; T929-L931 HydrophobicContact CG2-CD2 4.04Å; T929-L931 HydrophobicContact CG2-CG 4.05Å; L931-T933 PolarHBondContact O-N 3.36Å
932	G	38.7	Very low	48.8	Very low	66 Å²	66	94.4 Å²	94.4	68%	0.68	55%	0.554	S	S	*	*			trans	-65.3	-13.2	175.1	0	0	0	0	0	115	T934	G932-T934 VanDerWaalsContact C-N 3.35Å; G932-T934 PolarHBondContact O-N 3Å
933	T	44	Very low	51.7	Low	77 Å²	77	86.6 Å²	86.6	47%	0.472	52%	0.518	S	S	.	.			trans	-79.8	74.5	-177.8	45	0	0	0	0	112.7	L931 D935 V936 V937	L931-T933 PolarHBondContact O-N 3.36Å; T933-D935 PolarHBondContact O-N 2.86Å; T933-V936 HydrophobicContact CG2-CG2 4.48Å; T933-V936 PolarHBondContact O-N 3.2Å; T933-V937 PolarHBondContact O-N 3.47Å
934	T	49	Very low	54.6	Low	93 Å²	93	80.9 Å²	80.9	57%	0.571	48%	0.483	S	S	*	.	H	α-helix	trans	-52.8	-25.5	170.3	55.1	0	0	0	0	113.1	G932 V937 V938	G932-T934 VanDerWaalsContact C-N 3.35Å; G932-T934 PolarHBondContact O-N 3Å; T934-V937 WeakPolarHBondContact O-CB 3.38Å; T934-V937 PolarHBondContact O-N 2.79Å; T934-V938 PolarHBondContact O-N 3.28Å; T934-V938 VanDerWaalsContact O-N 3.11Å
935	D	49.1	Very low	57	Low	58 Å²	58	74.8 Å²	74.8	31%	0.31	45%	0.453	S	S	.	.	H	α-helix	trans	-74.8	-40.4	-178.7	-165.5	-84.7	0	0	0	114.4	N205 T933 V937 V938 S939	N205-D935 VanDerWaalsContact CG-CG 3.41Å; N205-D935 PolarHBondContact ND2-OD1 2.85Å; N205-D935 PolarHBondContact ND2-OD2 3.26Å; N205-D935 PolarHBondContact OD1-OD2 3.14Å; T933-D935 PolarHBondContact O-N 2.86Å; D935-V937 PolarHBondContact O-N 2.9Å; D935-V938 PolarHBondContact O-N 3.26Å; D935-V938 VanDerWaalsContact O-N 3.13Å; D935-S939 PolarHBondContact O-N 3.11Å; D935-S939 PolarHBondContact O-OG 3.43Å; D935-S939 VanDerWaalsContact O-OG 3.11Å
936	V	51	Low	59.6	Low	81 Å²	81	69 Å²	69	49%	0.491	43%	0.432	S	S	.	.	H	α-helix	trans	-63.4	-33.8	172.9	179	0	0	0	0	110.1	T933 S939 R940 T1025	T933-V936 HydrophobicContact CG2-CG2 4.48Å; T933-V936 PolarHBondContact O-N 3.2Å; V936-S939 PolarHBondContact O-N 3.47Å; V936-R940 PolarHBondContact O-N 3.49Å; V936-T1025 HydrophobicContact CG1-CG2 4.45Å
937	V	58.8	Low	62.2	Low	47 Å²	47	66 Å²	66	29%	0.285	41%	0.408	S	S	.	.	H	α-helix	trans	-67.1	-36.8	175.3	172.4	0	0	0	0	111.9	T933 T934 D935 V941 L1054	T933-V937 PolarHBondContact O-N 3.47Å; T934-V937 WeakPolarHBondContact O-CB 3.38Å; T934-V937 PolarHBondContact O-N 2.79Å; D935-V937 PolarHBondContact O-N 2.9Å; V937-V941 WeakPolarHBondContact O-CG2 3.47Å; V937-L1054 HydrophobicContact CG1-CB 4.4Å; V937-L1054 HydrophobicContact CG1-CD1 3.43Å; V937-L1054 VanDerWaalsContact CG1-CD1 3.43Å; V937-L1054 HydrophobicContact CG1-CD2 4.08Å; V937-L1054 HydrophobicContact CG1-CG 4.15Å
938	V	66.7	Low	64.7	Low	29 Å²	29	63.4 Å²	63.4	18%	0.176	38%	0.382	C	S	.	.	H	α-helix	trans	-71.2	-38	170.9	171.6	0	0	0	0	111.6	T934 D935 R940 V941 A1048 N1051	T934-V938 PolarHBondContact O-N 3.28Å; T934-V938 VanDerWaalsContact O-N 3.11Å; D935-V938 PolarHBondContact O-N 3.26Å; D935-V938 VanDerWaalsContact O-N 3.13Å; V938-R940 PolarHBondContact O-N 3.11Å; V938-R940 VanDerWaalsContact O-N 3.17Å; V938-V941 WeakPolarHBondContact O-CA 3.48Å; V938-V941 PolarHBondContact O-N 3.36Å; V938-A1048 HydrophobicContact CG1-CB 4.32Å; V938-N1051 VanDerWaalsContact CG2-OD1 3.29Å; V938-N1051 WeakPolarHBondContact CG2-OD1 3.46Å
939	S	73.8	Confident	67	Low	52 Å²	52	67.4 Å²	67.4	36%	0.364	39%	0.387	S	S	.	.	H	α-helix	trans	-65.3	-18.5	-177.7	-67.1	0	0	0	0	114.6	D935 V936	D935-S939 PolarHBondContact O-N 3.11Å; D935-S939 PolarHBondContact O-OG 3.43Å; D935-S939 VanDerWaalsContact O-OG 3.11Å; V936-S939 PolarHBondContact O-N 3.47Å
940	R	87.3	Confident	68.9	Low	62 Å²	62	64.6 Å²	64.6	23%	0.234	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	7.3	170.3	86.7	175.9	-167.7	150.1	-2.8	114.1	V936 V938 F1022 P1023 T1025 L1054 E1058	V936-R940 PolarHBondContact O-N 3.49Å; V938-R940 PolarHBondContact O-N 3.11Å; V938-R940 VanDerWaalsContact O-N 3.17Å; R940-F1022 VanDerWaalsContact CD-O 3.29Å; R940-F1022 WeakPolarHBondContact CD-O 3.37Å; R940-F1022 PolarHBondContact O-N 3.33Å; R940-P1023 PolarHBondContact NH1-O 3.1Å; R940-T1025 HydrophobicContact CB-CG2 4.22Å; R940-L1054 HydrophobicContact CG-CD2 4.26Å; R940-L1054 VanDerWaalsContact NE-CD2 3.31Å; R940-E1058 IonicContact NH2-OE1 3.43Å; R940-E1058 PolarHBondContact NH2-OE1 2.91Å; R940-E1058 VanDerWaalsContact NH2-OE1 3.14Å
941	V	90.5	Very high	71.5	Confident	2 Å²	2	58.2 Å²	58.2	1%	0.012	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.3	-172.3	-178.1	0	0	0	0	111.2	V937 V938 V1019 A1020 V1021 A1048 Y1052 L1054	V937-V941 WeakPolarHBondContact O-CG2 3.47Å; V938-V941 WeakPolarHBondContact O-CA 3.48Å; V938-V941 PolarHBondContact O-N 3.36Å; V941-V1019 HydrophobicContact CG1-CG1 3.18Å; V941-A1020 WeakPolarHBondContact CA-O 3.24Å; V941-V1021 HydrophobicContact CG1-CG2 4.43Å; V941-V1021 HydrophobicContact CG2-CG1 4.2Å; V941-V1021 HydrophobicContact CG2-CG2 4.15Å; V941-A1048 HydrophobicContact CB-CB 4.39Å; V941-A1048 HydrophobicContact CG1-CB 4.04Å; V941-A1048 WeakPolarHBondContact O-CB 3.28Å; V941-A1048 PolarHBondContact O-N 3.23Å; V941-Y1052 HydrophobicContact CG1-CD2 4.11Å; V941-L1054 HydrophobicContact CG2-CD1 3.88Å; V941-L1054 HydrophobicContact CG2-CD2 4.06Å; V941-L1054 HydrophobicContact CG2-CG 4.34Å
942	L	91.7	Very high	73.7	Confident	13 Å²	13	53.3 Å²	53.3	7%	0.068	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	138.3	-179.9	-56.9	-179.3	0	0	0	110.5	V1019 A1020 F1022 A1028 L1045 R1046	L942-V1019 CarbonylContact O-C 3.45Å; L942-V1019 WeakPolarHBondContact O-CA 3.49Å; L942-A1020 PolarHBondContact N-O 3.02Å; L942-A1020 PolarHBondContact O-N 3.36Å; L942-F1022 HydrophobicContact CB-CE2 4.2Å; L942-F1022 HydrophobicContact CD1-CD2 4.41Å; L942-F1022 HydrophobicContact CD1-CE2 3.71Å; L942-F1022 HydrophobicContact CD1-CZ 4.26Å; L942-F1022 HydrophobicContact CG-CD2 4.4Å; L942-F1022 HydrophobicContact CG-CE2 3.96Å; L942-A1028 HydrophobicContact CD1-CB 4.05Å; L942-A1028 WeakPolarHBondContact CD1-O 3.4Å; L942-A1028 HydrophobicContact CG-CB 4.2Å; L942-L1045 HydrophobicContact CB-CD2 4.17Å; L942-L1045 HydrophobicContact CD1-CB 4.05Å; L942-L1045 HydrophobicContact CD1-CD1 3.99Å; L942-L1045 HydrophobicContact CD1-CD2 4.48Å; L942-L1045 HydrophobicContact CD1-CG 4.43Å; L942-R1046 CarbonylContact C-O 3.56Å; L942-R1046 VanDerWaalsContact CA-O 3.23Å; L942-R1046 WeakPolarHBondContact CA-O 3.22Å; L942-R1046 WeakPolarHBondContact CB-O 3.35Å
943	E	92.4	Very high	76	Confident	23 Å²	23	54 Å²	54	11%	0.107	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	135.4	167.8	-78.7	165.3	-167.1	0	0	109	T1017 V1019 R1046 A1048 K1049 Y1052	E943-T1017 HydrophobicContact CG-CG2 4.39Å; E943-V1019 HydrophobicContact CG-CG2 4.15Å; E943-R1046 PolarHBondContact N-O 2.88Å; E943-R1046 PolarHBondContact O-N 3.02Å; E943-A1048 HydrophobicContact CG-CB 4.29Å; E943-K1049 PolarHBondContact OE1-N 3.38Å; E943-K1049 PolarHBondContact OE2-N 2.98Å; E943-Y1052 HydrophobicContact CG-CE2 4.16Å; E943-Y1052 VanDerWaalsContact OE1-CE2 3.24Å; E943-Y1052 WeakPolarHBondContact OE1-CE2 3.33Å; E943-Y1052 PolarHBondContact OE1-OH 3.25Å
944	V	91.1	Very high	77.9	Confident	14 Å²	14	53.9 Å²	53.9	9%	0.085	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.1	170.7	-175.2	0	0	0	0	108.2	L947 F960 L963 V1018 F1043 K1044 L1045	V944-L947 HydrophobicContact CG1-CD2 4.17Å; V944-L947 HydrophobicContact CG1-CG 4.26Å; V944-F960 HydrophobicContact CG1-CE1 3.77Å; V944-F960 HydrophobicContact CG1-CZ 4.09Å; V944-F960 HydrophobicContact CG2-CE1 4.38Å; V944-L963 HydrophobicContact CG2-CD1 4.11Å; V944-V1018 HydrophobicContact CB-CB 4.06Å; V944-V1018 HydrophobicContact CB-CG1 4.12Å; V944-V1018 HydrophobicContact CG2-CB 4.32Å; V944-V1018 HydrophobicContact CG2-CG1 3.86Å; V944-V1018 PolarHBondContact N-O 3.24Å; V944-F1043 HydrophobicContact CG1-CB 3.79Å; V944-F1043 HydrophobicContact CG1-CD2 3.69Å; V944-F1043 HydrophobicContact CG1-CG 3.91Å; V944-K1044 WeakPolarHBondContact CA-O 3.46Å; V944-L1045 HydrophobicContact CG2-CD2 3.98Å
945	T	86.7	Confident	79.6	Confident	29 Å²	29	53.9 Å²	53.9	18%	0.178	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	169.5	177.7	66.1	0	0	0	0	110.8	L947 K1044 R1046	T945-L947 VanDerWaalsContact C-N 3.33Å; T945-L947 PolarHBondContact O-N 3.17Å; T945-K1044 PolarHBondContact N-O 3.46Å; T945-K1044 PolarHBondContact O-N 3.11Å; T945-R1046 HydrophobicContact CG2-CB 4.21Å
946	D	84.4	Confident	81.5	Confident	95 Å²	95	51.1 Å²	51.1	51%	0.508	28%	0.283	S	S	.	.			trans	60.4	39.6	172.8	-46.7	-76.7	0	0	0	113.2	K1044	D946-K1044 HydrophobicContact CB-CB 4.46Å; D946-K1044 HydrophobicContact CB-CD 4.46Å; D946-K1044 HydrophobicContact CB-CG 4.49Å
947	L	85.4	Confident	83.1	Confident	39 Å²	39	51.4 Å²	51.4	20%	0.204	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-69	149.2	171	-74.1	169	0	0	0	111	V944 T945 E949 I951 F960 A1013 V1018 F1043	V944-L947 HydrophobicContact CG1-CD2 4.17Å; V944-L947 HydrophobicContact CG1-CG 4.26Å; T945-L947 VanDerWaalsContact C-N 3.33Å; T945-L947 PolarHBondContact O-N 3.17Å; L947-E949 PolarHBondContact O-N 2.89Å; L947-I951 HydrophobicContact CB-CG2 4.3Å; L947-F960 HydrophobicContact CD1-CZ 4.19Å; L947-F960 HydrophobicContact CD2-CE1 3.77Å; L947-F960 HydrophobicContact CD2-CZ 3.66Å; L947-A1013 HydrophobicContact CD1-CB 4.17Å; L947-V1018 HydrophobicContact CD1-CG2 4.27Å; L947-F1043 HydrophobicContact CD2-CB 3.92Å
948	P	82.2	Confident	84.4	Confident	50 Å²	50	56.2 Å²	56.2	33%	0.325	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-58.6	135.4	177.5	-23	34.5	0	0	0	111.7	G950 I951 L959 L1042	P948-G950 PolarHBondContact O-N 3.45Å; P948-I951 HydrophobicContact CB-CB 4.42Å; P948-I951 HydrophobicContact CG-CD1 4.28Å; P948-I951 WeakPolarHBondContact O-CB 3.34Å; P948-I951 WeakPolarHBondContact O-CG2 3.4Å; P948-I951 PolarHBondContact O-N 3.5Å; P948-L959 HydrophobicContact CG-CD1 4.35Å; P948-L1042 WeakPolarHBondContact CD-O 3.27Å; P948-L1042 HydrophobicContact CG-CB 4.29Å
949	E	77.8	Confident	85.3	Confident	202 Å²	202	56.8 Å²	56.8	94%	0.944	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	138.2	178.1	-65.6	-171.6	168.9	0	0	111	L947 I951	L947-E949 PolarHBondContact O-N 2.89Å; E949-I951 VanDerWaalsContact C-N 3.27Å; E949-I951 PolarHBondContact O-N 3.47Å
950	G	75.9	Confident	86	Confident	52 Å²	52	54.4 Å²	54.4	54%	0.536	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	-6.2	-178.7	0	0	0	0	0	116.3	P948 S952	P948-G950 PolarHBondContact O-N 3.45Å; G950-S952 PolarHBondContact O-N 2.98Å
951	I	85.1	Confident	86	Confident	22 Å²	22	56 Å²	56	11%	0.113	29%	0.294	C	S	.	.			trans	-58.9	131.4	-178.7	-163	170.7	0	0	0	112.1	L947 P948 E949 E955 A956 L959 A1013	L947-I951 HydrophobicContact CB-CG2 4.3Å; P948-I951 HydrophobicContact CB-CB 4.42Å; P948-I951 HydrophobicContact CG-CD1 4.28Å; P948-I951 WeakPolarHBondContact O-CB 3.34Å; P948-I951 WeakPolarHBondContact O-CG2 3.4Å; P948-I951 PolarHBondContact O-N 3.5Å; E949-I951 VanDerWaalsContact C-N 3.27Å; E949-I951 PolarHBondContact O-N 3.47Å; I951-E955 HydrophobicContact CD1-CB 4.1Å; I951-E955 HydrophobicContact CG1-CB 3.61Å; I951-A956 HydrophobicContact CD1-CB 4Å; I951-A956 HydrophobicContact CG1-CB 4.28Å; I951-A956 HydrophobicContact CG2-CB 4.35Å; I951-L959 HydrophobicContact CD1-CD1 3.47Å; I951-L959 VanDerWaalsContact CD1-CD1 3.47Å; I951-L959 HydrophobicContact CD1-CG 4.16Å; I951-A1013 HydrophobicContact CG2-CB 3.74Å; I951-A1013 PolarHBondContact O-N 2.89Å
952	S	86.8	Confident	85.6	Confident	13 Å²	13	60.8 Å²	60.8	9%	0.091	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-75.6	154.2	173.4	70.9	0	0	0	0	111	G950 E955 A956	G950-S952 PolarHBondContact O-N 2.98Å; S952-E955 VanDerWaalsContact CB-OE2 3.28Å; S952-E955 WeakPolarHBondContact CB-OE2 3.34Å; S952-E955 PolarHBondContact N-OE2 2.84Å; S952-E955 PolarHBondContact O-N 3.38Å; S952-E955 VanDerWaalsContact O-N 3.11Å; S952-E955 VanDerWaalsContact OG-CG 3.24Å; S952-E955 WeakPolarHBondContact OG-CG 3.32Å; S952-E955 PolarHBondContact OG-N 3.18Å; S952-E955 PolarHBondContact OG-OE2 2.94Å; S952-A956 PolarHBondContact O-N 3Å
953	R	86.3	Confident	85.4	Confident	82 Å²	82	60.2 Å²	60.2	31%	0.309	31%	0.313	S	S	.	.	H	α-helix	trans	-48.5	-50.9	174.1	179.8	175.9	171.1	-173.1	-5.2	114.1	E955 A956 E957 W972 D1011	R953-E955 VanDerWaalsContact C-N 3.29Å; R953-E955 PolarHBondContact O-N 2.83Å; R953-A956 PolarHBondContact O-N 3.47Å; R953-E957 IonicContact NE-OE1 3.59Å; R953-E957 WeakPolarHBondContact O-CG 3.41Å; R953-E957 PolarHBondContact O-N 3.11Å; R953-W972 HydrophobicContact CB-CH2 4.46Å; R953-W972 HydrophobicContact CG-CD2 4.07Å; R953-W972 HydrophobicContact CG-CE3 4.17Å; R953-W972 HydrophobicContact CG-CH2 3.96Å; R953-W972 HydrophobicContact CG-CZ2 3.79Å; R953-W972 HydrophobicContact CG-CZ3 4.12Å; R953-D1011 HydrophobicContact CB-CB 4.48Å; R953-D1011 WeakPolarHBondContact CB-O 2.94Å; R953-D1011 WeakPolarHBondContact CD-OD2 3.29Å; R953-D1011 PolarHBondContact N-O 3.4Å; R953-D1011 IonicContact NH1-OD2 3.74Å
954	P	84.8	Confident	85.2	Confident	73 Å²	73	62 Å²	62	47%	0.474	33%	0.328	S	S	.	.	H	α-helix	trans	-67.4	-24.8	179.3	26.5	-35.9	0	0	0	113.9	K958	P954-K958 PolarHBondContact O-N 3.34Å
955	E	84.5	Confident	84.8	Confident	94 Å²	94	69.3 Å²	69.3	44%	0.439	36%	0.364	S	S	.	.	H	α-helix	trans	-75	-40.4	172.4	-70.1	165	142.7	0	0	111.7	I951 S952 R953 E957 K958 L959	I951-E955 HydrophobicContact CD1-CB 4.1Å; I951-E955 HydrophobicContact CG1-CB 3.61Å; S952-E955 VanDerWaalsContact CB-OE2 3.28Å; S952-E955 WeakPolarHBondContact CB-OE2 3.34Å; S952-E955 PolarHBondContact N-OE2 2.84Å; S952-E955 PolarHBondContact O-N 3.38Å; S952-E955 VanDerWaalsContact O-N 3.11Å; S952-E955 VanDerWaalsContact OG-CG 3.24Å; S952-E955 WeakPolarHBondContact OG-CG 3.32Å; S952-E955 PolarHBondContact OG-N 3.18Å; S952-E955 PolarHBondContact OG-OE2 2.94Å; R953-E955 VanDerWaalsContact C-N 3.29Å; R953-E955 PolarHBondContact O-N 2.83Å; E955-E957 VanDerWaalsContact C-N 3.32Å; E955-E957 PolarHBondContact O-N 3.12Å; E955-K958 WeakPolarHBondContact O-CB 3.28Å; E955-K958 PolarHBondContact O-N 2.86Å; E955-L959 PolarHBondContact O-N 3.45Å
956	A	88	Confident	84.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-63.2	-37.7	173.3	0	0	0	0	0	111.8	I951 S952 R953 K958 L959 F960 W972 A1013	I951-A956 HydrophobicContact CD1-CB 4Å; I951-A956 HydrophobicContact CG1-CB 4.28Å; I951-A956 HydrophobicContact CG2-CB 4.35Å; S952-A956 PolarHBondContact O-N 3Å; R953-A956 PolarHBondContact O-N 3.47Å; A956-K958 PolarHBondContact O-N 3.43Å; A956-L959 WeakPolarHBondContact O-CB 3.43Å; A956-L959 PolarHBondContact O-N 3.39Å; A956-F960 HydrophobicContact CB-CE2 3.97Å; A956-F960 HydrophobicContact CB-CZ 4.03Å; A956-F960 WeakPolarHBondContact O-CD2 3.35Å; A956-F960 WeakPolarHBondContact O-CE2 3.33Å; A956-F960 VanDerWaalsContact O-CG 3.22Å; A956-F960 WeakPolarHBondContact O-CG 3.38Å; A956-F960 PolarHBondContact O-N 3.38Å; A956-F960 VanDerWaalsContact O-N 3.08Å; A956-W972 HydrophobicContact CB-CH2 3.69Å; A956-W972 HydrophobicContact CB-CZ2 4.23Å; A956-A1013 HydrophobicContact CB-CB 4Å
957	E	85.9	Confident	84.5	Confident	86 Å²	86	67.3 Å²	67.3	40%	0.402	37%	0.365	S	S	.	.	H	α-helix	trans	-59.1	-32.7	171.2	-70.5	-178.7	174	0	0	112.5	R953 E955 F960 N961 W972	R953-E957 IonicContact NE-OE1 3.59Å; R953-E957 WeakPolarHBondContact O-CG 3.41Å; R953-E957 PolarHBondContact O-N 3.11Å; E955-E957 VanDerWaalsContact C-N 3.32Å; E955-E957 PolarHBondContact O-N 3.12Å; E957-F960 PolarHBondContact O-N 3.18Å; E957-N961 PolarHBondContact O-N 3.43Å; E957-W972 HydrophobicContact CG-CZ2 3.66Å; E957-W972 PolarHBondContact OE1-NE1 3.14Å
958	K	85.4	Confident	84.8	Confident	149 Å²	149	65.8 Å²	65.8	65%	0.648	36%	0.358	S	S	*	.	H	α-helix	trans	-66	-37.8	172.8	-65.5	172.3	-174.4	173.7	0	112.3	P954 E955 A956 F960 N961	P954-K958 PolarHBondContact O-N 3.34Å; E955-K958 WeakPolarHBondContact O-CB 3.28Å; E955-K958 PolarHBondContact O-N 2.86Å; A956-K958 PolarHBondContact O-N 3.43Å; K958-F960 VanDerWaalsContact C-N 3.3Å; K958-F960 PolarHBondContact O-N 3.08Å; K958-N961 WeakPolarHBondContact CA-ND2 3.39Å; K958-N961 WeakPolarHBondContact O-CB 3.12Å; K958-N961 PolarHBondContact O-N 3.13Å; K958-N961 PolarHBondContact O-ND2 3.17Å
959	L	85.6	Confident	85.1	Confident	41 Å²	41	65.9 Å²	65.9	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-64.9	-36.3	174.6	-57.7	-176	0	0	0	111.4	P948 I951 E955 A956 N961 L1042 F1043	P948-L959 HydrophobicContact CG-CD1 4.35Å; I951-L959 HydrophobicContact CD1-CD1 3.47Å; I951-L959 VanDerWaalsContact CD1-CD1 3.47Å; I951-L959 HydrophobicContact CD1-CG 4.16Å; E955-L959 PolarHBondContact O-N 3.45Å; A956-L959 WeakPolarHBondContact O-CB 3.43Å; A956-L959 PolarHBondContact O-N 3.39Å; L959-N961 PolarHBondContact O-N 3.37Å; L959-L1042 HydrophobicContact CD1-CB 4.05Å; L959-L1042 HydrophobicContact CD2-CB 4.43Å; L959-L1042 HydrophobicContact CD2-CD1 3.79Å; L959-F1043 HydrophobicContact CB-CD1 4.08Å; L959-F1043 HydrophobicContact CB-CE1 4.05Å
960	F	89.1	Confident	85.8	Confident	2 Å²	2	57.8 Å²	57.8	1%	0.009	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-0.1	-178.3	-52.1	-29.9	0	0	0	114.7	V944 L947 A956 E957 K958 Q962 L963 S964 I970 W972 V1018 F1043	V944-F960 HydrophobicContact CG1-CE1 3.77Å; V944-F960 HydrophobicContact CG1-CZ 4.09Å; V944-F960 HydrophobicContact CG2-CE1 4.38Å; L947-F960 HydrophobicContact CD1-CZ 4.19Å; L947-F960 HydrophobicContact CD2-CE1 3.77Å; L947-F960 HydrophobicContact CD2-CZ 3.66Å; A956-F960 HydrophobicContact CB-CE2 3.97Å; A956-F960 HydrophobicContact CB-CZ 4.03Å; A956-F960 WeakPolarHBondContact O-CD2 3.35Å; A956-F960 WeakPolarHBondContact O-CE2 3.33Å; A956-F960 VanDerWaalsContact O-CG 3.22Å; A956-F960 WeakPolarHBondContact O-CG 3.38Å; A956-F960 PolarHBondContact O-N 3.38Å; A956-F960 VanDerWaalsContact O-N 3.08Å; E957-F960 PolarHBondContact O-N 3.18Å; K958-F960 VanDerWaalsContact C-N 3.3Å; K958-F960 PolarHBondContact O-N 3.08Å; F960-Q962 PolarHBondContact O-N 3.13Å; F960-L963 HydrophobicContact CB-CD1 4.09Å; F960-L963 HydrophobicContact CD1-CD1 3.71Å; F960-L963 HydrophobicContact CG-CD1 4.08Å; F960-L963 WeakPolarHBondContact O-CA 3.47Å; F960-L963 WeakPolarHBondContact O-CB 3.36Å; F960-L963 PolarHBondContact O-N 2.8Å; F960-S964 PolarHBondContact O-N 2.83Å; F960-S964 PolarHBondContact O-OG 2.78Å; F960-I970 HydrophobicContact CB-CD1 4.09Å; F960-I970 HydrophobicContact CB-CG1 3.89Å; F960-I970 HydrophobicContact CD2-CG1 4.32Å; F960-I970 HydrophobicContact CD2-CG2 3.9Å; F960-I970 HydrophobicContact CE2-CG2 4.35Å; F960-I970 HydrophobicContact CG-CD1 4.39Å; F960-I970 HydrophobicContact CG-CG1 4.36Å; F960-W972 HydrophobicContact CD2-CZ2 4.13Å; F960-W972 AromaticContact CE2-CH2 3.76Å; F960-W972 HydrophobicContact CE2-CH2 3.76Å; F960-W972 AromaticContact CE2-CZ2 3.59Å; F960-W972 HydrophobicContact CE2-CZ2 3.59Å; F960-V1018 HydrophobicContact CD2-CG1 4.38Å; F960-V1018 HydrophobicContact CE2-CG1 3.65Å; F960-V1018 HydrophobicContact CE2-CG2 4.47Å; F960-V1018 HydrophobicContact CZ-CG1 3.92Å; F960-F1043 HydrophobicContact CD1-CD1 4.27Å; F960-F1043 HydrophobicContact CD1-CE1 4.04Å; F960-F1043 HydrophobicContact CD1-CZ 4.25Å; F960-F1043 HydrophobicContact CE1-CD1 4.1Å; F960-F1043 HydrophobicContact CE1-CE1 4.34Å; F960-F1043 HydrophobicContact CE1-CG 4.26Å
961	N	86.4	Confident	86.3	Confident	96 Å²	96	56.7 Å²	56.7	51%	0.513	30%	0.297	S	S	.	.	H	α-helix	trans	-52.8	-37.7	168.8	-80.7	-61.2	0	0	0	112.2	E957 K958 L959 L963 S964 M965	E957-N961 PolarHBondContact O-N 3.43Å; K958-N961 WeakPolarHBondContact CA-ND2 3.39Å; K958-N961 WeakPolarHBondContact O-CB 3.12Å; K958-N961 PolarHBondContact O-N 3.13Å; K958-N961 PolarHBondContact O-ND2 3.17Å; L959-N961 PolarHBondContact O-N 3.37Å; N961-L963 VanDerWaalsContact C-N 3.32Å; N961-L963 PolarHBondContact O-N 3.41Å; N961-S964 PolarHBondContact O-N 2.77Å; N961-M965 VanDerWaalsContact O-CG 3.27Å; N961-M965 WeakPolarHBondContact O-CG 3.42Å; N961-M965 PolarHBondContact O-N 2.74Å
962	Q	82.1	Confident	86.5	Confident	102 Å²	102	56.9 Å²	56.9	48%	0.477	30%	0.296	S	S	.	.	H	α-helix	trans	-65.6	-34.2	177.1	-61.4	-169.5	14.5	0	0	112.7	F960 C966 L1035	F960-Q962 PolarHBondContact O-N 3.13Å; Q962-C966 PolarHBondContact O-N 2.76Å; Q962-C966 PolarHBondContact O-SG 2.91Å; Q962-L1035 HydrophobicContact CB-CD2 4.15Å
963	L	88.2	Confident	86.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69.3	-44	173.6	-63.4	172	0	0	0	111.1	V944 F960 N961 M965 C966 G967 A968 I970 A1020 F1022 L1035 F1043 L1045	V944-L963 HydrophobicContact CG2-CD1 4.11Å; F960-L963 HydrophobicContact CB-CD1 4.09Å; F960-L963 HydrophobicContact CD1-CD1 3.71Å; F960-L963 HydrophobicContact CG-CD1 4.08Å; F960-L963 WeakPolarHBondContact O-CA 3.47Å; F960-L963 WeakPolarHBondContact O-CB 3.36Å; F960-L963 PolarHBondContact O-N 2.8Å; N961-L963 VanDerWaalsContact C-N 3.32Å; N961-L963 PolarHBondContact O-N 3.41Å; L963-M965 VanDerWaalsContact C-N 3.3Å; L963-M965 PolarHBondContact O-N 3.13Å; L963-C966 CarbonylContact O-C 3.57Å; L963-C966 WeakPolarHBondContact O-CA 3.35Å; L963-C966 WeakPolarHBondContact O-CB 3.28Å; L963-C966 PolarHBondContact O-N 3.5Å; L963-G967 PolarHBondContact O-N 3.46Å; L963-A968 HydrophobicContact CB-CB 4.04Å; L963-A968 VanDerWaalsContact O-CB 3.29Å; L963-A968 WeakPolarHBondContact O-CB 3.28Å; L963-A968 PolarHBondContact O-N 2.84Å; L963-I970 HydrophobicContact CB-CD1 3.87Å; L963-I970 HydrophobicContact CD1-CD1 3.66Å; L963-I970 HydrophobicContact CG-CD1 4.41Å; L963-A1020 HydrophobicContact CD1-CB 4.39Å; L963-F1022 HydrophobicContact CD2-CZ 4.15Å; L963-L1035 HydrophobicContact CD2-CD1 3.33Å; L963-L1035 HydrophobicContact CG-CD1 4.13Å; L963-F1043 HydrophobicContact CD1-CE2 3.8Å; L963-F1043 HydrophobicContact CD1-CZ 3.91Å; L963-F1043 HydrophobicContact CD2-CE2 4.06Å; L963-F1043 HydrophobicContact CD2-CZ 4.29Å; L963-F1043 HydrophobicContact CG-CE2 4Å; L963-F1043 HydrophobicContact CG-CZ 3.85Å; L963-L1045 HydrophobicContact CD1-CD2 4.39Å; L963-L1045 HydrophobicContact CD2-CD1 3.73Å; L963-L1045 HydrophobicContact CD2-CD2 3.92Å; L963-L1045 HydrophobicContact CD2-CG 4.26Å
964	S	86.6	Confident	86.1	Confident	61 Å²	61	61.6 Å²	61.6	43%	0.427	32%	0.319	S	S	.	.	H	α-helix	trans	-60	-39	175.5	-55.8	0	0	0	0	111.9	F960 N961 C966 G967	F960-S964 PolarHBondContact O-N 2.83Å; F960-S964 PolarHBondContact O-OG 2.78Å; N961-S964 PolarHBondContact O-N 2.77Å; S964-C966 VanDerWaalsContact C-N 3.27Å; S964-C966 PolarHBondContact O-N 3.25Å; S964-G967 WeakPolarHBondContact O-CA 3.31Å; S964-G967 PolarHBondContact O-N 2.99Å
965	M	83.3	Confident	84.8	Confident	168 Å²	168	62 Å²	62	83%	0.828	32%	0.315	S	S	*	.	H	α-helix	trans	-66.9	-24.3	172.8	-70	-60.9	-66	0	0	113.3	N961 L963	N961-M965 VanDerWaalsContact O-CG 3.27Å; N961-M965 WeakPolarHBondContact O-CG 3.42Å; N961-M965 PolarHBondContact O-N 2.74Å; L963-M965 VanDerWaalsContact C-N 3.3Å; L963-M965 PolarHBondContact O-N 3.13Å
966	C	82.2	Confident	83	Confident	37 Å²	37	63.4 Å²	63.4	25%	0.25	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	10.5	168	-65.8	0	0	0	0	113.3	Q962 L963 S964 A968 F1022 A1031	Q962-C966 PolarHBondContact O-N 2.76Å; Q962-C966 PolarHBondContact O-SG 2.91Å; L963-C966 CarbonylContact O-C 3.57Å; L963-C966 WeakPolarHBondContact O-CA 3.35Å; L963-C966 WeakPolarHBondContact O-CB 3.28Å; L963-C966 PolarHBondContact O-N 3.5Å; S964-C966 VanDerWaalsContact C-N 3.27Å; S964-C966 PolarHBondContact O-N 3.25Å; C966-A968 VanDerWaalsContact C-N 3.33Å; C966-A968 PolarHBondContact O-N 3.3Å; C966-F1022 HydrophobicContact CB-CE1 4.3Å; C966-A1031 HydrophobicContact CB-CB 4.15Å
967	G	83.9	Confident	80.7	Confident	44 Å²	44	70 Å²	70	45%	0.454	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	10.5	178.7	0	0	0	0	0	114.8	L963 S964 P1023	L963-G967 PolarHBondContact O-N 3.46Å; S964-G967 WeakPolarHBondContact O-CA 3.31Å; S964-G967 PolarHBondContact O-N 2.99Å; G967-P1023 WeakPolarHBondContact O-CD 3.28Å
968	A	90.3	Very high	78.3	Confident	7 Å²	7	69.4 Å²	69.4	6%	0.058	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-73.3	131.2	177.7	0	0	0	0	0	111.4	L963 C966 I970 A1020 V1021 F1022	L963-A968 HydrophobicContact CB-CB 4.04Å; L963-A968 VanDerWaalsContact O-CB 3.29Å; L963-A968 WeakPolarHBondContact O-CB 3.28Å; L963-A968 PolarHBondContact O-N 2.84Å; C966-A968 VanDerWaalsContact C-N 3.33Å; C966-A968 PolarHBondContact O-N 3.3Å; A968-I970 HydrophobicContact CB-CD1 4.48Å; A968-A1020 HydrophobicContact CB-CB 4.28Å; A968-V1021 CarbonylContact C-O 3.59Å; A968-V1021 WeakPolarHBondContact CA-O 3.46Å; A968-F1022 HydrophobicContact CB-CD1 3.86Å; A968-F1022 HydrophobicContact CB-CD2 4.47Å; A968-F1022 HydrophobicContact CB-CE1 3.62Å; A968-F1022 HydrophobicContact CB-CE2 4.24Å; A968-F1022 HydrophobicContact CB-CG 4.3Å; A968-F1022 HydrophobicContact CB-CZ 3.83Å
969	K	89.2	Confident	75.7	Confident	52 Å²	52	65.8 Å²	65.8	23%	0.226	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.8	155.6	168.1	175.1	173.2	179.2	0	108.4	A1020 V1021 L1057 S1061	K969-A1020 CarbonylContact O-C 3.56Å; K969-A1020 WeakPolarHBondContact O-CA 3.27Å; K969-V1021 PolarHBondContact N-O 3.42Å; K969-V1021 PolarHBondContact O-N 3.11Å; K969-L1057 PolarHBondContact NZ-O 2.8Å; K969-S1061 WeakPolarHBondContact CE-OG 2.98Å; K969-S1061 PolarHBondContact NZ-OG 2.75Å
970	I	91.5	Very high	73.2	Confident	33 Å²	33	75.9 Å²	75.9	17%	0.169	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.3	166.6	-51.2	-55.7	0	0	0	110	F960 L963 A968 V1018 A1020	F960-I970 HydrophobicContact CB-CD1 4.09Å; F960-I970 HydrophobicContact CB-CG1 3.89Å; F960-I970 HydrophobicContact CD2-CG1 4.32Å; F960-I970 HydrophobicContact CD2-CG2 3.9Å; F960-I970 HydrophobicContact CE2-CG2 4.35Å; F960-I970 HydrophobicContact CG-CD1 4.39Å; F960-I970 HydrophobicContact CG-CG1 4.36Å; L963-I970 HydrophobicContact CB-CD1 3.87Å; L963-I970 HydrophobicContact CD1-CD1 3.66Å; L963-I970 HydrophobicContact CG-CD1 4.41Å; A968-I970 HydrophobicContact CB-CD1 4.48Å; I970-V1018 HydrophobicContact CG2-CG1 3.73Å; I970-A1020 HydrophobicContact CD1-CB 3.94Å
971	Q	86.7	Confident	70.4	Confident	28 Å²	28	79 Å²	79	13%	0.131	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	122.6	173.5	-173.1	65.8	58.4	0	0	110.1	L973 V1019 L1057	Q971-L973 HydrophobicContact CG-CD1 4.09Å; Q971-L973 HydrophobicContact CG-CG 4.14Å; Q971-V1019 PolarHBondContact N-O 3.01Å; Q971-V1019 PolarHBondContact O-N 3.44Å; Q971-L1057 HydrophobicContact CB-CD2 4.06Å; Q971-L1057 HydrophobicContact CG-CD2 4.15Å; Q971-L1057 HydrophobicContact CG-CG 4.12Å
972	W	88.7	Confident	67.9	Low	27 Å²	27	81.7 Å²	81.7	10%	0.102	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.2	170.2	-63.6	95.2	0	0	0	109.3	R953 A956 E957 F960 A1013 Y1016 V1018	R953-W972 HydrophobicContact CB-CH2 4.46Å; R953-W972 HydrophobicContact CG-CD2 4.07Å; R953-W972 HydrophobicContact CG-CE3 4.17Å; R953-W972 HydrophobicContact CG-CH2 3.96Å; R953-W972 HydrophobicContact CG-CZ2 3.79Å; R953-W972 HydrophobicContact CG-CZ3 4.12Å; A956-W972 HydrophobicContact CB-CH2 3.69Å; A956-W972 HydrophobicContact CB-CZ2 4.23Å; E957-W972 HydrophobicContact CG-CZ2 3.66Å; E957-W972 PolarHBondContact OE1-NE1 3.14Å; F960-W972 HydrophobicContact CD2-CZ2 4.13Å; F960-W972 AromaticContact CE2-CH2 3.76Å; F960-W972 HydrophobicContact CE2-CH2 3.76Å; F960-W972 AromaticContact CE2-CZ2 3.59Å; F960-W972 HydrophobicContact CE2-CZ2 3.59Å; W972-A1013 HydrophobicContact CH2-CB 4Å; W972-A1013 HydrophobicContact CZ3-CB 3.88Å; W972-Y1016 HydrophobicContact CB-CD1 4.22Å; W972-Y1016 HydrophobicContact CE3-CD1 4.46Å; W972-Y1016 HydrophobicContact CE3-CD2 4.02Å; W972-Y1016 AromaticContact CE3-CG 3.78Å; W972-Y1016 HydrophobicContact CE3-CG 3.78Å; W972-Y1016 HydrophobicContact CZ3-CD2 4.35Å; W972-Y1016 HydrophobicContact CZ3-CG 4.44Å; W972-V1018 HydrophobicContact CD2-CG2 4.28Å; W972-V1018 HydrophobicContact CE3-CG2 3.56Å; W972-V1018 HydrophobicContact CH2-CG2 3.73Å; W972-V1018 HydrophobicContact CZ2-CG2 4.46Å; W972-V1018 HydrophobicContact CZ3-CG2 3.25Å
973	L	84.9	Confident	65.4	Low	50 Å²	50	81.3 Å²	81.3	26%	0.262	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	107.5	175.2	-67.5	124.1	0	0	0	109.4	Q971 E975 Y1016 T1017 V1019 Y1052	Q971-L973 HydrophobicContact CG-CD1 4.09Å; Q971-L973 HydrophobicContact CG-CG 4.14Å; L973-E975 PolarHBondContact O-N 3.12Å; L973-Y1016 CarbonylContact O-C 3.54Å; L973-Y1016 WeakPolarHBondContact O-CA 3.16Å; L973-T1017 WeakPolarHBondContact CB-O 3.44Å; L973-T1017 PolarHBondContact N-O 3.19Å; L973-T1017 PolarHBondContact O-N 2.94Å; L973-V1019 HydrophobicContact CD1-CB 3.74Å; L973-V1019 HydrophobicContact CD1-CG2 3.39Å; L973-Y1052 HydrophobicContact CD1-CD1 4.26Å; L973-Y1052 HydrophobicContact CD1-CE1 4.05Å; L973-Y1052 HydrophobicContact CD2-CD1 4.43Å
974	K	80.1	Confident	62.6	Low	144 Å²	144	84.9 Å²	84.9	63%	0.626	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.1	127.7	177.4	-169.7	165.6	-175.6	162.1	0	109.8	P976 Y1016	K974-P976 WeakPolarHBondContact O-CD 3.4Å; K974-Y1016 HydrophobicContact CB-CD1 3.84Å; K974-Y1016 HydrophobicContact CB-CE1 3.81Å; K974-Y1016 HydrophobicContact CD-CE1 4.22Å; K974-Y1016 HydrophobicContact CG-CD1 4.36Å; K974-Y1016 HydrophobicContact CG-CE1 4.11Å
975	E	57.3	Low	59.9	Low	81 Å²	81	85.9 Å²	85.9	38%	0.379	54%	0.543	S	S	.	.			trans	-75.6	126.5	-172.4	-169.4	171.5	-143.9	0	0	112.1	L973 Q977 L1015 K1050	L973-E975 PolarHBondContact O-N 3.12Å; E975-Q977 VanDerWaalsContact C-N 3.26Å; E975-Q977 HydrophobicContact CB-CG 3.94Å; E975-Q977 HydrophobicContact CG-CG 3.63Å; E975-Q977 PolarHBondContact O-N 3.3Å; E975-Q977 WeakPolarHBondContact OE2-CG 3Å; E975-Q977 PolarHBondContact OE2-NE2 2.84Å; E975-L1015 PolarHBondContact N-O 2.82Å; E975-K1050 IonicContact OE1-NZ 3.14Å
976	P	47.2	Very low	57.2	Low	124 Å²	124	84.4 Å²	84.4	81%	0.805	55%	0.548	S	S	*	.			trans	-80.5	73.3	173	33.7	-34.6	0	0	0	110.2	K974 G978	K974-P976 WeakPolarHBondContact O-CD 3.4Å; P976-G978 PolarHBondContact O-N 3.39Å
977	Q	40.7	Very low	54.6	Low	137 Å²	137	86 Å²	86	64%	0.64	57%	0.571	S	S	*	*			trans	-69.4	89	-174.3	-68.1	-174	-12.1	0	0	112.6	E975 G979	E975-Q977 VanDerWaalsContact C-N 3.26Å; E975-Q977 HydrophobicContact CB-CG 3.94Å; E975-Q977 HydrophobicContact CG-CG 3.63Å; E975-Q977 PolarHBondContact O-N 3.3Å; E975-Q977 WeakPolarHBondContact OE2-CG 3Å; E975-Q977 PolarHBondContact OE2-NE2 2.84Å; Q977-G979 VanDerWaalsContact C-N 3.32Å; Q977-G979 PolarHBondContact O-N 3.47Å
978	G	34.3	Very low	52.9	Low	75 Å²	75	89.6 Å²	89.6	77%	0.773	59%	0.587	S	S	*	*			trans	-68.5	84.2	170.5	0	0	0	0	0	111.6	P976 R980	P976-G978 PolarHBondContact O-N 3.39Å; G978-R980 PolarHBondContact O-N 2.67Å
979	G	31.1	Very low	49.8	Very low	72 Å²	72	95.1 Å²	95.1	74%	0.742	62%	0.623	S	S	*	*			trans	-50.6	132.2	-170.9	0	0	0	0	0	115.2	Q977	Q977-G979 VanDerWaalsContact C-N 3.32Å; Q977-G979 PolarHBondContact O-N 3.47Å
980	R	33.3	Very low	46.9	Very low	254 Å²	254	99.4 Å²	99.4	96%	0.958	65%	0.653	S	S	*	*			trans	-112.1	55.9	160.2	-74.1	-168.4	173.4	-146.4	-0.4	110.3	G978	G978-R980 PolarHBondContact O-N 2.67Å
981	G	31.3	Very low	43.8	Very low	68 Å²	68	101.2 Å²	101.2	70%	0.701	68%	0.681	S	S	*	*			trans	-87	135.3	160.8	0	0	0	0	0	109.4	A983	G981-A983 PolarHBondContact O-N 3.46Å
982	V	33.3	Very low	41	Very low	152 Å²	152	104.5 Å²	104.5	92%	0.921	71%	0.712	S	S	*	*			trans	-64.5	127.2	168.5	172.9	0	0	0	0	108.5
983	A	30.4	Very low	38.1	Very low	94 Å²	94	109.1 Å²	109.1	78%	0.777	75%	0.749	S	S	*	*			trans	-133.9	106.6	165.6	0	0	0	0	0	109.2	G981	G981-A983 PolarHBondContact O-N 3.46Å
984	G	29.5	Very low	35.5	Very low	74 Å²	74	111.7 Å²	111.7	76%	0.763	78%	0.777	S	S	*	*			trans	-62.8	143.9	156.1	0	0	0	0	0	108.9
985	G	29.3	Very low	33.2	Very low	82 Å²	82	112.6 Å²	112.6	85%	0.845	79%	0.786	S	S	*	*			trans	-85.6	149.6	-165.8	0	0	0	0	0	115.3
986	C	26.9	Very low	32.1	Very low	137 Å²	137	114.1 Å²	114.1	93%	0.926	81%	0.806	S	S	*	*			trans	-155.3	154.9	143.3	56.5	0	0	0	0	109.2
987	G	26.9	Very low	31.4	Very low	72 Å²	72	111.5 Å²	111.5	74%	0.742	80%	0.801	S	S	*	*			trans	-142.6	-164.5	164.4	0	0	0	0	0	107.8
988	P	47.4	Very low	31.1	Very low	119 Å²	119	112.7 Å²	112.7	77%	0.773	82%	0.817	S	S	*	*			cis	-127.6	-168	-8.3	41	-24.6	0	0	0	112.7
989	C	25.2	Very low	30.8	Very low	122 Å²	122	112.7 Å²	112.7	82%	0.824	82%	0.817	S	S	*	*			trans	59.2	154.3	172.4	80.1	0	0	0	0	116.5
990	V	29.7	Very low	31.1	Very low	142 Å²	142	118.9 Å²	118.9	86%	0.861	83%	0.829	S	S	*	*			cis	-137.3	168.5	6.4	-80	0	0	0	0	106.7
991	G	25.1	Very low	30.9	Very low	72 Å²	72	110.3 Å²	110.3	74%	0.742	82%	0.82	S	S	*	*			cis	148.5	152.9	18.7	0	0	0	0	0	108.3
992	A	28.4	Very low	31	Very low	96 Å²	96	112.4 Å²	112.4	79%	0.793	83%	0.83	S	S	*	*			trans	77.9	115.8	171.4	0	0	0	0	0	121.7
993	S	28.9	Very low	30.8	Very low	124 Å²	124	108.9 Å²	108.9	87%	0.867	83%	0.825	S	S	*	*				50.2	149.9	125.9	-45.5	0	0	0	0	121.7
994	A	29.8	Very low	30.7	Very low	105 Å²	105	108.4 Å²	108.4	87%	0.868	83%	0.83	S	S	*	*			cis	-153.2	-171.7	13.6	0	0	0	0	0	112.7
995	M	31.9	Very low	30.8	Very low	163 Å²	163	108.5 Å²	108.5	80%	0.803	83%	0.83	S	S	*	*			trans	-104.5	163.3	-174.1	70.3	-179.9	-170	0	0	115.1
996	S	32.8	Very low	31.4	Very low	113 Å²	113	114.7 Å²	114.7	79%	0.79	83%	0.834	S	S	*	*			trans	66.7	157	154	-63.6	0	0	0	0	119.6
997	G	33.7	Very low	31.7	Very low	69 Å²	69	111.6 Å²	111.6	71%	0.711	83%	0.826	S	S	*	*			trans	-125.8	-147.4	179.8	0	0	0	0	0	113.6
998	V	33.1	Very low	32.5	Very low	162 Å²	162	114.9 Å²	114.9	98%	0.982	83%	0.826	S	S	*	*			trans	88.7	129.6	-173.3	-172.4	0	0	0	0	114.4
999	G	29	Very low	32.6	Very low	75 Å²	75	112.4 Å²	112.4	77%	0.773	82%	0.822	S	S	*	*			trans	149.9	115	164.5	0	0	0	0	0	114.9
1000	M	36.5	Very low	34.2	Very low	202 Å²	202	113.3 Å²	113.3	100%	0.995	81%	0.814	S	S	*	*			trans	-93.2	142	164.5	-73.4	164.1	153.4	0	0	109.6
1001	G	29.2	Very low	36.4	Very low	74 Å²	74	108.9 Å²	108.9	76%	0.763	79%	0.785	S	S	*	*			trans	147.9	100.5	162.3	0	0	0	0	0	116.4
1002	A	34.6	Very low	39.1	Very low	111 Å²	111	106.4 Å²	106.4	92%	0.917	76%	0.756	S	S	*	*			trans	36.7	119.1	153.4	0	0	0	0	0	120.9
1003	G	28.5	Very low	41.7	Very low	79 Å²	79	101.8 Å²	101.8	81%	0.814	72%	0.718	S	S	*	*			trans	148.8	82.6	154.3	0	0	0	0	0	116.9
1004	G	28.7	Very low	44.1	Very low	84 Å²	84	102.3 Å²	102.3	87%	0.866	71%	0.707	S	S	*	*			trans	62.8	112.5	147.1	0	0	0	0	0	120.5
1005	G	30.5	Very low	46.6	Very low	76 Å²	76	100.7 Å²	100.7	78%	0.784	68%	0.683	S	S	*	*			trans	111.3	111.1	141.3	0	0	0	0	0	117.5
1006	K	42.3	Very low	49.1	Very low	211 Å²	211	94.5 Å²	94.5	92%	0.917	65%	0.651	S	S	*	*			trans	36	100.3	149.8	-76.8	-175.7	169.4	-178	0	118.1
1007	G	33.5	Very low	51.8	Low	73 Å²	73	90.7 Å²	90.7	75%	0.753	62%	0.623	S	S	*	*			trans	-156.2	72.2	151.9	0	0	0	0	0	108.4	G1009	G1007-G1009 VanDerWaalsContact C-N 3.33Å; G1007-G1009 PolarHBondContact O-N 3.28Å
1008	D	42.9	Very low	54.5	Low	141 Å²	141	87.6 Å²	87.6	75%	0.754	59%	0.59	S	S	*	*			trans	-58	102.2	170.2	-77.5	-71.6	0	0	0	108	H1010	D1008-H1010 PolarHBondContact O-N 3.41Å
1009	G	49.5	Very low	57.3	Low	66 Å²	66	79.9 Å²	79.9	68%	0.68	54%	0.543	S	S	*	.			trans	-72	74.3	-175.8	0	0	0	0	0	110.1	G1007 D1011	G1007-G1009 VanDerWaalsContact C-N 3.33Å; G1007-G1009 PolarHBondContact O-N 3.28Å; G1009-D1011 PolarHBondContact O-N 3.11Å
1010	H	59.3	Low	60.3	Low	141 Å²	141	76.3 Å²	76.3	65%	0.653	51%	0.506	S	S	*	.			trans	-60.3	87.4	159.6	-72.1	-88.1	0	0	0	107.5	D1008 P1012	D1008-H1010 PolarHBondContact O-N 3.41Å; H1010-P1012 WeakPolarHBondContact O-CD 3.26Å
1011	D	77.2	Confident	62.9	Low	49 Å²	49	67.3 Å²	67.3	26%	0.262	46%	0.463	S	S	.	.			trans	-88.9	82.6	153.2	-174.4	40.7	0	0	0	105.3	R953 G1009 Y1016	R953-D1011 HydrophobicContact CB-CB 4.48Å; R953-D1011 WeakPolarHBondContact CB-O 2.94Å; R953-D1011 WeakPolarHBondContact CD-OD2 3.29Å; R953-D1011 PolarHBondContact N-O 3.4Å; R953-D1011 IonicContact NH1-OD2 3.74Å; G1009-D1011 PolarHBondContact O-N 3.11Å; D1011-Y1016 VanDerWaalsContact CG-OH 3.24Å; D1011-Y1016 WeakPolarHBondContact OD1-CE2 3.49Å; D1011-Y1016 PolarHBondContact OD1-OH 3.4Å; D1011-Y1016 WeakPolarHBondContact OD2-CE2 3.44Å; D1011-Y1016 PolarHBondContact OD2-OH 3.14Å; D1011-Y1016 VanDerWaalsContact OD2-OH 3.04Å
1012	P	81.2	Confident	65.9	Low	20 Å²	20	63.9 Å²	63.9	13%	0.13	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-70.8	138.4	-170.5	31.5	-38.6	0	0	0	109.9	H1010 H1014 L1015	H1010-P1012 WeakPolarHBondContact O-CD 3.26Å; P1012-H1014 VanDerWaalsContact CB-CE1 3.48Å; P1012-H1014 WeakPolarHBondContact CB-CE1 3.42Å; P1012-H1014 WeakPolarHBondContact CG-CE1 3.46Å; P1012-H1014 PolarHBondContact O-N 3.5Å; P1012-L1015 HydrophobicContact CG-CD1 3.79Å; P1012-L1015 HydrophobicContact CG-CG 3.98Å; P1012-L1015 PolarHBondContact O-N 3.41Å; P1012-L1015 VanDerWaalsContact O-N 3.13Å
1013	A	82.1	Confident	68.3	Low	0 Å²	0	62.1 Å²	62.1	0%	0	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-59.6	-25.3	-173.4	0	0	0	0	0	113	L947 I951 A956 W972 L1015 Y1016	L947-A1013 HydrophobicContact CD1-CB 4.17Å; I951-A1013 HydrophobicContact CG2-CB 3.74Å; I951-A1013 PolarHBondContact O-N 2.89Å; A956-A1013 HydrophobicContact CB-CB 4Å; W972-A1013 HydrophobicContact CH2-CB 4Å; W972-A1013 HydrophobicContact CZ3-CB 3.88Å; A1013-L1015 PolarHBondContact O-N 2.94Å; A1013-Y1016 PolarHBondContact O-N 3.37Å; A1013-Y1016 VanDerWaalsContact O-N 3.08Å
1014	H	78.8	Confident	71	Confident	135 Å²	135	61.9 Å²	61.9	63%	0.625	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-64.1	-16.4	179.2	72.2	-114	0	0	0	114.8	P1012 Y1016	P1012-H1014 VanDerWaalsContact CB-CE1 3.48Å; P1012-H1014 WeakPolarHBondContact CB-CE1 3.42Å; P1012-H1014 WeakPolarHBondContact CG-CE1 3.46Å; P1012-H1014 PolarHBondContact O-N 3.5Å; H1014-Y1016 PolarHBondContact O-N 2.96Å
1015	L	82.6	Confident	73.8	Confident	71 Å²	71	60.4 Å²	60.4	37%	0.372	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-76.2	-4.7	174.2	-66.2	174.2	0	0	0	113.1	E975 P1012 A1013	E975-L1015 PolarHBondContact N-O 2.82Å; P1012-L1015 HydrophobicContact CG-CD1 3.79Å; P1012-L1015 HydrophobicContact CG-CG 3.98Å; P1012-L1015 PolarHBondContact O-N 3.41Å; P1012-L1015 VanDerWaalsContact O-N 3.13Å; A1013-L1015 PolarHBondContact O-N 2.94Å
1016	Y	86	Confident	76.5	Confident	33 Å²	33	62.5 Å²	62.5	13%	0.129	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.1	-176.3	-55.7	-91.3	0	0	0	110.9	W972 L973 K974 D1011 A1013 H1014 V1018	W972-Y1016 HydrophobicContact CB-CD1 4.22Å; W972-Y1016 HydrophobicContact CE3-CD1 4.46Å; W972-Y1016 HydrophobicContact CE3-CD2 4.02Å; W972-Y1016 AromaticContact CE3-CG 3.78Å; W972-Y1016 HydrophobicContact CE3-CG 3.78Å; W972-Y1016 HydrophobicContact CZ3-CD2 4.35Å; W972-Y1016 HydrophobicContact CZ3-CG 4.44Å; L973-Y1016 CarbonylContact O-C 3.54Å; L973-Y1016 WeakPolarHBondContact O-CA 3.16Å; K974-Y1016 HydrophobicContact CB-CD1 3.84Å; K974-Y1016 HydrophobicContact CB-CE1 3.81Å; K974-Y1016 HydrophobicContact CD-CE1 4.22Å; K974-Y1016 HydrophobicContact CG-CD1 4.36Å; K974-Y1016 HydrophobicContact CG-CE1 4.11Å; D1011-Y1016 VanDerWaalsContact CG-OH 3.24Å; D1011-Y1016 WeakPolarHBondContact OD1-CE2 3.49Å; D1011-Y1016 PolarHBondContact OD1-OH 3.4Å; D1011-Y1016 WeakPolarHBondContact OD2-CE2 3.44Å; D1011-Y1016 PolarHBondContact OD2-OH 3.14Å; D1011-Y1016 VanDerWaalsContact OD2-OH 3.04Å; A1013-Y1016 PolarHBondContact O-N 3.37Å; A1013-Y1016 VanDerWaalsContact O-N 3.08Å; H1014-Y1016 PolarHBondContact O-N 2.96Å; Y1016-V1018 PolarHBondContact O-N 2.87Å
1017	T	88.1	Confident	78.7	Confident	33 Å²	33	53.2 Å²	53.2	20%	0.202	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118.8	157.2	-53.2	0	0	0	0	107.8	E943 L973 V1019	E943-T1017 HydrophobicContact CG-CG2 4.39Å; L973-T1017 WeakPolarHBondContact CB-O 3.44Å; L973-T1017 PolarHBondContact N-O 3.19Å; L973-T1017 PolarHBondContact O-N 2.94Å; T1017-V1019 HydrophobicContact CG2-CG2 4.21Å
1018	V	91	Very high	81.4	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	127.3	178.9	-175.9	0	0	0	0	109.5	V944 L947 F960 I970 W972 Y1016	V944-V1018 HydrophobicContact CB-CB 4.06Å; V944-V1018 HydrophobicContact CB-CG1 4.12Å; V944-V1018 HydrophobicContact CG2-CB 4.32Å; V944-V1018 HydrophobicContact CG2-CG1 3.86Å; V944-V1018 PolarHBondContact N-O 3.24Å; L947-V1018 HydrophobicContact CD1-CG2 4.27Å; F960-V1018 HydrophobicContact CD2-CG1 4.38Å; F960-V1018 HydrophobicContact CE2-CG1 3.65Å; F960-V1018 HydrophobicContact CE2-CG2 4.47Å; F960-V1018 HydrophobicContact CZ-CG1 3.92Å; I970-V1018 HydrophobicContact CG2-CG1 3.73Å; W972-V1018 HydrophobicContact CD2-CG2 4.28Å; W972-V1018 HydrophobicContact CE3-CG2 3.56Å; W972-V1018 HydrophobicContact CH2-CG2 3.73Å; W972-V1018 HydrophobicContact CZ2-CG2 4.46Å; W972-V1018 HydrophobicContact CZ3-CG2 3.25Å; Y1016-V1018 PolarHBondContact O-N 2.87Å
1019	V	91.9	Very high	83.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.3	-175.8	175.1	0	0	0	0	110.4	V941 L942 E943 Q971 L973 T1017 V1021 Y1052 L1057	V941-V1019 HydrophobicContact CG1-CG1 3.18Å; L942-V1019 CarbonylContact O-C 3.45Å; L942-V1019 WeakPolarHBondContact O-CA 3.49Å; E943-V1019 HydrophobicContact CG-CG2 4.15Å; Q971-V1019 PolarHBondContact N-O 3.01Å; Q971-V1019 PolarHBondContact O-N 3.44Å; L973-V1019 HydrophobicContact CD1-CB 3.74Å; L973-V1019 HydrophobicContact CD1-CG2 3.39Å; T1017-V1019 HydrophobicContact CG2-CG2 4.21Å; V1019-V1021 HydrophobicContact CG1-CG2 4.3Å; V1019-Y1052 HydrophobicContact CG1-CD2 4.43Å; V1019-Y1052 HydrophobicContact CG2-CD2 4.41Å; V1019-Y1052 HydrophobicContact CG2-CE1 4.16Å; V1019-Y1052 HydrophobicContact CG2-CE2 3.86Å; V1019-L1057 HydrophobicContact CG1-CD2 3.99Å
1020	A	92.3	Very high	85.4	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	116.4	174.8	0	0	0	0	0	110.2	V941 L942 L963 A968 K969 I970 F1022	V941-A1020 WeakPolarHBondContact CA-O 3.24Å; L942-A1020 PolarHBondContact N-O 3.02Å; L942-A1020 PolarHBondContact O-N 3.36Å; L963-A1020 HydrophobicContact CD1-CB 4.39Å; A968-A1020 HydrophobicContact CB-CB 4.28Å; K969-A1020 CarbonylContact O-C 3.56Å; K969-A1020 WeakPolarHBondContact O-CA 3.27Å; I970-A1020 HydrophobicContact CD1-CB 3.94Å; A1020-F1022 HydrophobicContact CB-CE2 3.73Å; A1020-F1022 HydrophobicContact CB-CZ 4.22Å
1021	V	91.7	Very high	86.8	Confident	14 Å²	14	41.2 Å²	41.2	9%	0.085	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.6	177.4	-175.8	0	0	0	0	109	V941 A968 K969 V1019 L1054 L1057	V941-V1021 HydrophobicContact CG1-CG2 4.43Å; V941-V1021 HydrophobicContact CG2-CG1 4.2Å; V941-V1021 HydrophobicContact CG2-CG2 4.15Å; A968-V1021 CarbonylContact C-O 3.59Å; A968-V1021 WeakPolarHBondContact CA-O 3.46Å; K969-V1021 PolarHBondContact N-O 3.42Å; K969-V1021 PolarHBondContact O-N 3.11Å; V1019-V1021 HydrophobicContact CG1-CG2 4.3Å; V1021-L1054 HydrophobicContact CG1-CD2 3.97Å; V1021-L1057 HydrophobicContact CG2-CB 4.49Å; V1021-L1057 HydrophobicContact CG2-CD2 3.44Å; V1021-L1057 VanDerWaalsContact CG2-CD2 3.44Å
1022	F	91.3	Very high	87.3	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.009	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-95.8	153.3	-178.9	-66.9	-95.6	0	0	0	111.3	R940 L942 L963 C966 A968 A1020 T1024 A1027 A1028 A1031 L1045	R940-F1022 VanDerWaalsContact CD-O 3.29Å; R940-F1022 WeakPolarHBondContact CD-O 3.37Å; R940-F1022 PolarHBondContact O-N 3.33Å; L942-F1022 HydrophobicContact CB-CE2 4.2Å; L942-F1022 HydrophobicContact CD1-CD2 4.41Å; L942-F1022 HydrophobicContact CD1-CE2 3.71Å; L942-F1022 HydrophobicContact CD1-CZ 4.26Å; L942-F1022 HydrophobicContact CG-CD2 4.4Å; L942-F1022 HydrophobicContact CG-CE2 3.96Å; L963-F1022 HydrophobicContact CD2-CZ 4.15Å; C966-F1022 HydrophobicContact CB-CE1 4.3Å; A968-F1022 HydrophobicContact CB-CD1 3.86Å; A968-F1022 HydrophobicContact CB-CD2 4.47Å; A968-F1022 HydrophobicContact CB-CE1 3.62Å; A968-F1022 HydrophobicContact CB-CE2 4.24Å; A968-F1022 HydrophobicContact CB-CG 4.3Å; A968-F1022 HydrophobicContact CB-CZ 3.83Å; A1020-F1022 HydrophobicContact CB-CE2 3.73Å; A1020-F1022 HydrophobicContact CB-CZ 4.22Å; F1022-T1024 VanDerWaalsContact C-N 3.3Å; F1022-T1024 WeakPolarHBondContact CB-O 3.24Å; F1022-T1024 PolarHBondContact O-N 2.87Å; F1022-A1027 HydrophobicContact CB-CB 4.17Å; F1022-A1027 HydrophobicContact CD1-CB 4.05Å; F1022-A1028 HydrophobicContact CB-CB 3.94Å; F1022-A1028 HydrophobicContact CD1-CB 4.46Å; F1022-A1028 HydrophobicContact CD2-CB 3.54Å; F1022-A1028 HydrophobicContact CE2-CB 4.16Å; F1022-A1028 HydrophobicContact CG-CB 3.72Å; F1022-A1031 HydrophobicContact CD1-CB 4.37Å; F1022-A1031 HydrophobicContact CE1-CB 3.35Å; F1022-A1031 HydrophobicContact CZ-CB 3.62Å; F1022-L1045 HydrophobicContact CZ-CD1 4.46Å
1023	P	85.8	Confident	87.5	Confident	74 Å²	74	46.4 Å²	46.4	48%	0.481	25%	0.248	S	C	.	.	S	Bend	trans	-63.1	-38.8	176.8	24.4	-33.7	0	0	0	111.4	R940 G967 A1027	R940-P1023 PolarHBondContact NH1-O 3.1Å; G967-P1023 WeakPolarHBondContact O-CD 3.28Å; P1023-A1027 HydrophobicContact CG-CB 4.26Å
1024	T	85.1	Confident	87.7	Confident	74 Å²	74	52.2 Å²	52.2	45%	0.454	27%	0.273	S	S	.	.	S	Bend	trans	-131	156.7	179.5	67.6	0	0	0	0	111.8	F1022 M1026 A1027 A1028	F1022-T1024 VanDerWaalsContact C-N 3.3Å; F1022-T1024 WeakPolarHBondContact CB-O 3.24Å; F1022-T1024 PolarHBondContact O-N 2.87Å; T1024-M1026 VanDerWaalsContact C-N 3.26Å; T1024-M1026 PolarHBondContact O-N 2.68Å; T1024-A1027 PolarHBondContact O-N 3.48Å; T1024-A1027 WeakPolarHBondContact OG1-CB 3.48Å; T1024-A1027 PolarHBondContact OG1-N 2.78Å; T1024-A1027 VanDerWaalsContact OG1-N 3.09Å; T1024-A1028 PolarHBondContact O-N 2.87Å
1025	T	87.4	Confident	87.9	Confident	53 Å²	53	46.2 Å²	46.2	33%	0.325	25%	0.245	S	C	.	.	H	α-helix	trans	-60.7	-35.4	172	50.7	0	0	0	0	112.1	V936 R940 A1028 Q1029	V936-T1025 HydrophobicContact CG1-CG2 4.45Å; R940-T1025 HydrophobicContact CB-CG2 4.22Å; T1025-A1028 WeakPolarHBondContact O-CB 3.22Å; T1025-A1028 PolarHBondContact O-N 3.19Å; T1025-Q1029 WeakPolarHBondContact O-CG 3.44Å; T1025-Q1029 PolarHBondContact O-N 3.48Å
1026	M	87.3	Confident	88.1	Confident	119 Å²	119	45.6 Å²	45.6	59%	0.586	24%	0.243	S	C	*	.	H	α-helix	trans	-64	-39.9	175	-166.6	69.7	72.4	0	0	112.3	T1024 Q1029 S1030	T1024-M1026 VanDerWaalsContact C-N 3.26Å; T1024-M1026 PolarHBondContact O-N 2.68Å; M1026-Q1029 PolarHBondContact O-N 2.73Å; M1026-S1030 WeakPolarHBondContact O-CB 3.3Å; M1026-S1030 PolarHBondContact O-N 3.34Å; M1026-S1030 PolarHBondContact O-OG 3.12Å
1027	A	87.4	Confident	87.9	Confident	16 Å²	16	49.4 Å²	49.4	13%	0.132	27%	0.265	C	S	.	.	H	α-helix	trans	-63.7	-42.6	174.1	0	0	0	0	0	111.2	F1022 P1023 T1024 S1030 A1031	F1022-A1027 HydrophobicContact CB-CB 4.17Å; F1022-A1027 HydrophobicContact CD1-CB 4.05Å; P1023-A1027 HydrophobicContact CG-CB 4.26Å; T1024-A1027 PolarHBondContact O-N 3.48Å; T1024-A1027 WeakPolarHBondContact OG1-CB 3.48Å; T1024-A1027 PolarHBondContact OG1-N 2.78Å; T1024-A1027 VanDerWaalsContact OG1-N 3.09Å; A1027-S1030 PolarHBondContact O-OG 2.72Å; A1027-S1030 VanDerWaalsContact O-OG 3.05Å; A1027-A1031 VanDerWaalsContact O-CB 3.28Å; A1027-A1031 WeakPolarHBondContact O-CB 3.14Å; A1027-A1031 PolarHBondContact O-N 3.13Å
1028	A	91.3	Very high	87.3	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.008	27%	0.274	C	S	.	.	H	α-helix	trans	-60.4	-48.1	174	0	0	0	0	0	112.3	L942 F1022 T1024 T1025 A1031 S1032	L942-A1028 HydrophobicContact CD1-CB 4.05Å; L942-A1028 WeakPolarHBondContact CD1-O 3.4Å; L942-A1028 HydrophobicContact CG-CB 4.2Å; F1022-A1028 HydrophobicContact CB-CB 3.94Å; F1022-A1028 HydrophobicContact CD1-CB 4.46Å; F1022-A1028 HydrophobicContact CD2-CB 3.54Å; F1022-A1028 HydrophobicContact CE2-CB 4.16Å; F1022-A1028 HydrophobicContact CG-CB 3.72Å; T1024-A1028 PolarHBondContact O-N 2.87Å; T1025-A1028 WeakPolarHBondContact O-CB 3.22Å; T1025-A1028 PolarHBondContact O-N 3.19Å; A1028-A1031 PolarHBondContact O-N 3.2Å; A1028-S1032 VanDerWaalsContact O-CB 3.27Å; A1028-S1032 WeakPolarHBondContact O-CB 3.46Å; A1028-S1032 PolarHBondContact O-N 3.01Å
1029	Q	88.3	Confident	86.2	Confident	113 Å²	113	54.8 Å²	54.8	53%	0.528	32%	0.319	S	S	.	.	H	α-helix	trans	-64.1	-43.7	179.4	-72	-178.8	18.5	0	0	112.6	T1025 M1026 S1032 F1033	T1025-Q1029 WeakPolarHBondContact O-CG 3.44Å; T1025-Q1029 PolarHBondContact O-N 3.48Å; M1026-Q1029 PolarHBondContact O-N 2.73Å; Q1029-S1032 PolarHBondContact O-N 3.26Å; Q1029-F1033 WeakPolarHBondContact O-CB 3.48Å; Q1029-F1033 PolarHBondContact O-N 3.16Å
1030	S	88	Confident	85	Confident	56 Å²	56	58.8 Å²	58.8	39%	0.392	35%	0.352	S	S	.	.	H	α-helix	trans	-67.3	-39.7	177.9	59.8	0	0	0	0	112.6	M1026 A1027 K1034	M1026-S1030 WeakPolarHBondContact O-CB 3.3Å; M1026-S1030 PolarHBondContact O-N 3.34Å; M1026-S1030 PolarHBondContact O-OG 3.12Å; A1027-S1030 PolarHBondContact O-OG 2.72Å; A1027-S1030 VanDerWaalsContact O-OG 3.05Å; S1030-K1034 VanDerWaalsContact O-CB 3.3Å; S1030-K1034 WeakPolarHBondContact O-CB 3.43Å; S1030-K1034 VanDerWaalsContact O-CG 3.25Å; S1030-K1034 WeakPolarHBondContact O-CG 3.38Å; S1030-K1034 PolarHBondContact O-N 3.01Å
1031	A	87.9	Confident	84.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-65.8	-43.5	173.8	0	0	0	0	0	111.9	C966 F1022 A1027 A1028 K1034 L1035 L1045	C966-A1031 HydrophobicContact CB-CB 4.15Å; F1022-A1031 HydrophobicContact CD1-CB 4.37Å; F1022-A1031 HydrophobicContact CE1-CB 3.35Å; F1022-A1031 HydrophobicContact CZ-CB 3.62Å; A1027-A1031 VanDerWaalsContact O-CB 3.28Å; A1027-A1031 WeakPolarHBondContact O-CB 3.14Å; A1027-A1031 PolarHBondContact O-N 3.13Å; A1028-A1031 PolarHBondContact O-N 3.2Å; A1031-K1034 PolarHBondContact O-N 3.02Å; A1031-L1035 VanDerWaalsContact O-CB 3.29Å; A1031-L1035 WeakPolarHBondContact O-CB 3.31Å; A1031-L1035 WeakPolarHBondContact O-CG 3.46Å; A1031-L1035 PolarHBondContact O-N 2.87Å; A1031-L1045 HydrophobicContact CB-CD1 4.28Å
1032	S	88.7	Confident	83.6	Confident	29 Å²	29	64.6 Å²	64.6	20%	0.203	38%	0.384	C	S	.	.	H	α-helix	trans	-59	-49.4	174.4	-175.9	0	0	0	0	111.7	A1028 Q1029 N1036	A1028-S1032 VanDerWaalsContact O-CB 3.27Å; A1028-S1032 WeakPolarHBondContact O-CB 3.46Å; A1028-S1032 PolarHBondContact O-N 3.01Å; Q1029-S1032 PolarHBondContact O-N 3.26Å; S1032-N1036 WeakPolarHBondContact O-CB 3.19Å; S1032-N1036 VanDerWaalsContact O-CG 3.25Å; S1032-N1036 PolarHBondContact O-N 2.91Å; S1032-N1036 PolarHBondContact O-ND2 3.12Å; S1032-N1036 PolarHBondContact OG-ND2 2.83Å
1033	F	85.8	Confident	83.4	Confident	148 Å²	148	64.9 Å²	64.9	65%	0.649	39%	0.385	S	S	*	.	H	α-helix	trans	-63.1	-45.9	177.9	-177.7	-96.4	0	0	0	112.2	Q1029 N1037	Q1029-F1033 WeakPolarHBondContact O-CB 3.48Å; Q1029-F1033 PolarHBondContact O-N 3.16Å; F1033-N1037 WeakPolarHBondContact CD2-ND2 3.36Å; F1033-N1037 WeakPolarHBondContact O-CB 3.44Å; F1033-N1037 PolarHBondContact O-N 3.39Å; F1033-N1037 PolarHBondContact O-ND2 2.8Å
1034	K	85.1	Confident	83.4	Confident	123 Å²	123	66.9 Å²	66.9	54%	0.535	39%	0.386	S	S	.	.	H	α-helix	trans	-64.7	-49.2	179.9	-75.1	175.7	67.5	-170.4	0	112	S1030 A1031 S1038	S1030-K1034 VanDerWaalsContact O-CB 3.3Å; S1030-K1034 WeakPolarHBondContact O-CB 3.43Å; S1030-K1034 VanDerWaalsContact O-CG 3.25Å; S1030-K1034 WeakPolarHBondContact O-CG 3.38Å; S1030-K1034 PolarHBondContact O-N 3.01Å; A1031-K1034 PolarHBondContact O-N 3.02Å; K1034-S1038 WeakPolarHBondContact O-CB 3.2Å; K1034-S1038 PolarHBondContact O-N 3.24Å; K1034-S1038 PolarHBondContact O-OG 2.94Å
1035	L	82.5	Confident	83.7	Confident	8 Å²	8	63.7 Å²	63.7	4%	0.042	37%	0.367	C	S	.	.	H	α-helix	trans	-79.8	-35.2	-171.4	-62.2	172.9	0	0	0	112.5	Q962 L963 A1031 N1037 S1041 F1043 L1045	Q962-L1035 HydrophobicContact CB-CD2 4.15Å; L963-L1035 HydrophobicContact CD2-CD1 3.33Å; L963-L1035 HydrophobicContact CG-CD1 4.13Å; A1031-L1035 VanDerWaalsContact O-CB 3.29Å; A1031-L1035 WeakPolarHBondContact O-CB 3.31Å; A1031-L1035 WeakPolarHBondContact O-CG 3.46Å; A1031-L1035 PolarHBondContact O-N 2.87Å; L1035-N1037 VanDerWaalsContact C-N 3.32Å; L1035-N1037 PolarHBondContact O-N 2.87Å; L1035-S1041 WeakPolarHBondContact O-CB 3.45Å; L1035-F1043 HydrophobicContact CD1-CE2 4.13Å; L1035-F1043 HydrophobicContact CD1-CZ 4.13Å; L1035-L1045 HydrophobicContact CB-CD1 4.45Å; L1035-L1045 HydrophobicContact CD1-CD1 3.99Å
1036	N	86.7	Confident	83.7	Confident	59 Å²	59	67.8 Å²	67.8	32%	0.316	38%	0.376	S	S	.	.	H	α-helix	trans	-71.9	-24.9	176.8	-67.8	-17.2	0	0	0	113.4	S1032 K1044 L1045	S1032-N1036 WeakPolarHBondContact O-CB 3.19Å; S1032-N1036 VanDerWaalsContact O-CG 3.25Å; S1032-N1036 PolarHBondContact O-N 2.91Å; S1032-N1036 PolarHBondContact O-ND2 3.12Å; S1032-N1036 PolarHBondContact OG-ND2 2.83Å; N1036-K1044 WeakPolarHBondContact OD1-CA 3.29Å; N1036-L1045 PolarHBondContact ND2-O 2.8Å; N1036-L1045 PolarHBondContact OD1-N 3.01Å
1037	N	82	Confident	83.7	Confident	112 Å²	112	65.5 Å²	65.5	60%	0.599	38%	0.376	S	S	*	.	H	α-helix	trans	-100.3	-13.3	177.4	-63.7	-69.3	0	0	0	113.5	F1033 L1035 G1039	F1033-N1037 WeakPolarHBondContact CD2-ND2 3.36Å; F1033-N1037 WeakPolarHBondContact O-CB 3.44Å; F1033-N1037 PolarHBondContact O-N 3.39Å; F1033-N1037 PolarHBondContact O-ND2 2.8Å; L1035-N1037 VanDerWaalsContact C-N 3.32Å; L1035-N1037 PolarHBondContact O-N 2.87Å; N1037-G1039 PolarHBondContact O-N 2.57Å
1038	S	76.7	Confident	83.3	Confident	57 Å²	57	65.1 Å²	65.1	40%	0.399	37%	0.373	S	S	.	.			trans	-74.8	107.8	169.7	-66.5	0	0	0	0	108.8	K1034 A1040 S1041	K1034-S1038 WeakPolarHBondContact O-CB 3.2Å; K1034-S1038 PolarHBondContact O-N 3.24Å; K1034-S1038 PolarHBondContact O-OG 2.94Å; S1038-A1040 PolarHBondContact O-N 3.04Å; S1038-S1041 PolarHBondContact O-N 2.63Å
1039	G	67	Low	82.1	Confident	93 Å²	93	74 Å²	74	96%	0.959	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-0.3	176.7	0	0	0	0	0	115.7	N1037	N1037-G1039 PolarHBondContact O-N 2.57Å
1040	A	66.1	Low	81.2	Confident	84 Å²	84	73.8 Å²	73.8	69%	0.694	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-1.8	172.5	0	0	0	0	0	114.1	S1038 L1042	S1038-A1040 PolarHBondContact O-N 3.04Å; A1040-L1042 PolarHBondContact O-N 2.76Å
1041	S	75.4	Confident	80.3	Confident	28 Å²	28	76.9 Å²	76.9	20%	0.196	42%	0.421	C	S	.	.			trans	-80.2	119.2	177.5	-169.1	0	0	0	0	111.2	L1035 S1038 F1043	L1035-S1041 WeakPolarHBondContact O-CB 3.45Å; S1038-S1041 PolarHBondContact O-N 2.63Å; S1041-F1043 PolarHBondContact O-N 2.62Å; S1041-F1043 PolarHBondContact OG-O 3.29Å
1042	L	79.8	Confident	79.7	Confident	108 Å²	108	78.5 Å²	78.5	57%	0.565	43%	0.427	S	S	*	.	S	Bend	trans	-81	10.9	176.6	-67.4	174.1	0	0	0	113.7	P948 L959 A1040	P948-L1042 WeakPolarHBondContact CD-O 3.27Å; P948-L1042 HydrophobicContact CG-CB 4.29Å; L959-L1042 HydrophobicContact CD1-CB 4.05Å; L959-L1042 HydrophobicContact CD2-CB 4.43Å; L959-L1042 HydrophobicContact CD2-CD1 3.79Å; A1040-L1042 PolarHBondContact O-N 2.76Å
1043	F	87.4	Confident	78.7	Confident	7 Å²	7	80.4 Å²	80.4	3%	0.031	44%	0.435	C	S	.	.	S	Bend	trans	-152.8	162.8	176.9	62	-93	0	0	0	110	V944 L947 L959 F960 L963 L1035 S1041 L1045	V944-F1043 HydrophobicContact CG1-CB 3.79Å; V944-F1043 HydrophobicContact CG1-CD2 3.69Å; V944-F1043 HydrophobicContact CG1-CG 3.91Å; L947-F1043 HydrophobicContact CD2-CB 3.92Å; L959-F1043 HydrophobicContact CB-CD1 4.08Å; L959-F1043 HydrophobicContact CB-CE1 4.05Å; F960-F1043 HydrophobicContact CD1-CD1 4.27Å; F960-F1043 HydrophobicContact CD1-CE1 4.04Å; F960-F1043 HydrophobicContact CD1-CZ 4.25Å; F960-F1043 HydrophobicContact CE1-CD1 4.1Å; F960-F1043 HydrophobicContact CE1-CE1 4.34Å; F960-F1043 HydrophobicContact CE1-CG 4.26Å; L963-F1043 HydrophobicContact CD1-CE2 3.8Å; L963-F1043 HydrophobicContact CD1-CZ 3.91Å; L963-F1043 HydrophobicContact CD2-CE2 4.06Å; L963-F1043 HydrophobicContact CD2-CZ 4.29Å; L963-F1043 HydrophobicContact CG-CE2 4Å; L963-F1043 HydrophobicContact CG-CZ 3.85Å; L1035-F1043 HydrophobicContact CD1-CE2 4.13Å; L1035-F1043 HydrophobicContact CD1-CZ 4.13Å; S1041-F1043 PolarHBondContact O-N 2.62Å; S1041-F1043 PolarHBondContact OG-O 3.29Å; F1043-L1045 HydrophobicContact CE2-CD2 4.42Å; F1043-L1045 HydrophobicContact CE2-CG 4.36Å
1044	K	86.7	Confident	77.6	Confident	116 Å²	116	74 Å²	74	50%	0.504	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	152.6	174.3	-69.9	175.6	-178.9	166.1	0	111.3	V944 T945 D946 N1036	V944-K1044 WeakPolarHBondContact CA-O 3.46Å; T945-K1044 PolarHBondContact N-O 3.46Å; T945-K1044 PolarHBondContact O-N 3.11Å; D946-K1044 HydrophobicContact CB-CB 4.46Å; D946-K1044 HydrophobicContact CB-CD 4.46Å; D946-K1044 HydrophobicContact CB-CG 4.49Å; N1036-K1044 WeakPolarHBondContact OD1-CA 3.29Å
1045	L	91.1	Very high	76.4	Confident	7 Å²	7	76.2 Å²	76.2	4%	0.037	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126.3	173.5	-69.7	174.2	0	0	0	110.2	L942 V944 L963 F1022 A1031 L1035 N1036 F1043	L942-L1045 HydrophobicContact CB-CD2 4.17Å; L942-L1045 HydrophobicContact CD1-CB 4.05Å; L942-L1045 HydrophobicContact CD1-CD1 3.99Å; L942-L1045 HydrophobicContact CD1-CD2 4.48Å; L942-L1045 HydrophobicContact CD1-CG 4.43Å; V944-L1045 HydrophobicContact CG2-CD2 3.98Å; L963-L1045 HydrophobicContact CD1-CD2 4.39Å; L963-L1045 HydrophobicContact CD2-CD1 3.73Å; L963-L1045 HydrophobicContact CD2-CD2 3.92Å; L963-L1045 HydrophobicContact CD2-CG 4.26Å; F1022-L1045 HydrophobicContact CZ-CD1 4.46Å; A1031-L1045 HydrophobicContact CB-CD1 4.28Å; L1035-L1045 HydrophobicContact CB-CD1 4.45Å; L1035-L1045 HydrophobicContact CD1-CD1 3.99Å; N1036-L1045 PolarHBondContact ND2-O 2.8Å; N1036-L1045 PolarHBondContact OD1-N 3.01Å; F1043-L1045 HydrophobicContact CE2-CD2 4.42Å; F1043-L1045 HydrophobicContact CE2-CG 4.36Å
1046	R	87.8	Confident	75.3	Confident	140 Å²	140	80 Å²	80	53%	0.528	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.5	175.2	-166.8	176.4	-63.2	-178.5	2.8	110	L942 E943 T945 A1048	L942-R1046 CarbonylContact C-O 3.56Å; L942-R1046 VanDerWaalsContact CA-O 3.23Å; L942-R1046 WeakPolarHBondContact CA-O 3.22Å; L942-R1046 WeakPolarHBondContact CB-O 3.35Å; E943-R1046 PolarHBondContact N-O 2.88Å; E943-R1046 PolarHBondContact O-N 3.02Å; T945-R1046 HydrophobicContact CG2-CB 4.21Å; R1046-A1048 PolarHBondContact O-N 3.25Å
1047	A	85.3	Confident	74.1	Confident	70 Å²	70	77.5 Å²	77.5	58%	0.579	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.5	134.3	167.9	0	0	0	0	0	110	K1049	A1047-K1049 PolarHBondContact O-N 2.82Å
1048	A	80.5	Confident	72.8	Confident	9 Å²	9	78.1 Å²	78.1	7%	0.074	42%	0.422	C	S	.	.			trans	-56.2	121.3	179.5	0	0	0	0	0	111.2	V938 V941 E943 R1046 K1050 Y1052	V938-A1048 HydrophobicContact CG1-CB 4.32Å; V941-A1048 HydrophobicContact CB-CB 4.39Å; V941-A1048 HydrophobicContact CG1-CB 4.04Å; V941-A1048 WeakPolarHBondContact O-CB 3.28Å; V941-A1048 PolarHBondContact O-N 3.23Å; E943-A1048 HydrophobicContact CG-CB 4.29Å; R1046-A1048 PolarHBondContact O-N 3.25Å; A1048-K1050 VanDerWaalsContact C-N 3.32Å; A1048-Y1052 HydrophobicContact CB-CD2 3.92Å; A1048-Y1052 HydrophobicContact CB-CE2 3.75Å
1049	K	64.7	Low	71.1	Confident	187 Å²	187	84.3 Å²	84.3	81%	0.813	44%	0.436	S	S	*	.	S	Bend	trans	-79.3	-19.6	-178.5	-171	173.8	179.1	-179.8	0	112.2	E943 A1047	E943-K1049 PolarHBondContact OE1-N 3.38Å; E943-K1049 PolarHBondContact OE2-N 2.98Å; A1047-K1049 PolarHBondContact O-N 2.82Å
1050	K	70.7	Confident	69.9	Low	108 Å²	108	82.2 Å²	82.2	47%	0.47	41%	0.41	S	S	.	.	S	Bend	trans	-109.7	140.9	179.7	-60.3	171.4	-174.6	167.8	0	109.3	E975 A1048 Y1052	E975-K1050 IonicContact OE1-NZ 3.14Å; A1048-K1050 VanDerWaalsContact C-N 3.32Å; K1050-Y1052 HydrophobicContact CB-CE1 4.27Å; K1050-Y1052 HydrophobicContact CB-CE2 4.06Å; K1050-Y1052 WeakPolarHBondContact O-CD2 3.45Å; K1050-Y1052 WeakPolarHBondContact O-CE2 3.42Å; K1050-Y1052 PolarHBondContact O-N 3.38Å; K1050-Y1052 VanDerWaalsContact O-N 3.15Å
1051	N	68.8	Low	68.7	Low	122 Å²	122	81.6 Å²	81.6	65%	0.652	40%	0.401	S	S	*	.			trans	-71.8	105.5	169.4	-81.7	-90.6	0	0	0	108.6	V938	V938-N1051 VanDerWaalsContact CG2-OD1 3.29Å; V938-N1051 WeakPolarHBondContact CG2-OD1 3.46Å
1052	Y	75.9	Confident	66.6	Low	33 Å²	33	85.5 Å²	85.5	13%	0.129	43%	0.428	C	S	.	.			trans	-88.5	129.9	176.5	-64.7	-75.5	0	0	0	110.3	V941 E943 L973 V1019 A1048 K1050 L1054	V941-Y1052 HydrophobicContact CG1-CD2 4.11Å; E943-Y1052 HydrophobicContact CG-CE2 4.16Å; E943-Y1052 VanDerWaalsContact OE1-CE2 3.24Å; E943-Y1052 WeakPolarHBondContact OE1-CE2 3.33Å; E943-Y1052 PolarHBondContact OE1-OH 3.25Å; L973-Y1052 HydrophobicContact CD1-CD1 4.26Å; L973-Y1052 HydrophobicContact CD1-CE1 4.05Å; L973-Y1052 HydrophobicContact CD2-CD1 4.43Å; V1019-Y1052 HydrophobicContact CG1-CD2 4.43Å; V1019-Y1052 HydrophobicContact CG2-CD2 4.41Å; V1019-Y1052 HydrophobicContact CG2-CE1 4.16Å; V1019-Y1052 HydrophobicContact CG2-CE2 3.86Å; A1048-Y1052 HydrophobicContact CB-CD2 3.92Å; A1048-Y1052 HydrophobicContact CB-CE2 3.75Å; K1050-Y1052 HydrophobicContact CB-CE1 4.27Å; K1050-Y1052 HydrophobicContact CB-CE2 4.06Å; K1050-Y1052 WeakPolarHBondContact O-CD2 3.45Å; K1050-Y1052 WeakPolarHBondContact O-CE2 3.42Å; K1050-Y1052 PolarHBondContact O-N 3.38Å; K1050-Y1052 VanDerWaalsContact O-N 3.15Å; Y1052-L1054 WeakPolarHBondContact O-CD1 3.32Å; Y1052-L1054 PolarHBondContact O-N 2.8Å; Y1052-L1054 VanDerWaalsContact O-N 3.15Å
1053	D	66.8	Low	64.1	Low	69 Å²	69	92.4 Å²	92.4	37%	0.369	46%	0.458	S	S	.	.			trans	-75.1	103.1	175.4	-174.3	-16.5	0	0	0	109.8	R1055 V1056 L1057	D1053-R1055 PolarHBondContact O-N 2.87Å; D1053-R1055 VanDerWaalsContact O-N 3.1Å; D1053-R1055 WeakPolarHBondContact OD1-CB 3.44Å; D1053-R1055 WeakPolarHBondContact OD1-CG 3.45Å; D1053-R1055 IonicContact OD1-CZ 3.89Å; D1053-R1055 PolarHBondContact OD1-N 2.8Å; D1053-R1055 IonicContact OD1-NE 3.02Å; D1053-R1055 PolarHBondContact OD1-NE 3.34Å; D1053-R1055 IonicContact OD1-NH2 3.86Å; D1053-R1055 IonicContact OD2-CZ 3.43Å; D1053-R1055 IonicContact OD2-NE 3.29Å; D1053-R1055 PolarHBondContact OD2-NE 3.12Å; D1053-R1055 IonicContact OD2-NH2 2.72Å; D1053-R1055 PolarHBondContact OD2-NH2 2.67Å; D1053-V1056 HydrophobicContact CB-CG2 4.09Å; D1053-V1056 WeakPolarHBondContact O-CA 3.33Å; D1053-V1056 VanDerWaalsContact O-CB 3.32Å; D1053-V1056 WeakPolarHBondContact O-CB 3.08Å; D1053-V1056 PolarHBondContact O-N 2.67Å; D1053-L1057 VanDerWaalsContact O-CD1 3.28Å; D1053-L1057 WeakPolarHBondContact O-CD1 3.19Å; D1053-L1057 PolarHBondContact O-N 3.02Å
1054	L	63.7	Low	63	Low	15 Å²	15	96.7 Å²	96.7	8%	0.079	48%	0.479	C	S	.	.	H	α-helix	trans	-64.3	-15.6	-178.1	-84.1	67.8	0	0	0	113.4	V937 R940 V941 V1021 Y1052 V1056 L1057 E1058	V937-L1054 HydrophobicContact CG1-CB 4.4Å; V937-L1054 HydrophobicContact CG1-CD1 3.43Å; V937-L1054 VanDerWaalsContact CG1-CD1 3.43Å; V937-L1054 HydrophobicContact CG1-CD2 4.08Å; V937-L1054 HydrophobicContact CG1-CG 4.15Å; R940-L1054 HydrophobicContact CG-CD2 4.26Å; R940-L1054 VanDerWaalsContact NE-CD2 3.31Å; V941-L1054 HydrophobicContact CG2-CD1 3.88Å; V941-L1054 HydrophobicContact CG2-CD2 4.06Å; V941-L1054 HydrophobicContact CG2-CG 4.34Å; V1021-L1054 HydrophobicContact CG1-CD2 3.97Å; Y1052-L1054 WeakPolarHBondContact O-CD1 3.32Å; Y1052-L1054 PolarHBondContact O-N 2.8Å; Y1052-L1054 VanDerWaalsContact O-N 3.15Å; L1054-V1056 PolarHBondContact O-N 2.96Å; L1054-L1057 PolarHBondContact O-N 2.93Å; L1054-E1058 WeakPolarHBondContact O-CB 3.25Å; L1054-E1058 WeakPolarHBondContact O-CG 3.21Å; L1054-E1058 PolarHBondContact O-N 3.26Å
1055	R	59.3	Low	61.7	Low	169 Å²	169	95.7 Å²	95.7	64%	0.638	48%	0.478	S	S	*	.	H	α-helix	trans	-69.9	-18.1	170.9	-54.2	172.4	-60.7	173.5	4.6	112.4	D1053 R1059	D1053-R1055 PolarHBondContact O-N 2.87Å; D1053-R1055 VanDerWaalsContact O-N 3.1Å; D1053-R1055 WeakPolarHBondContact OD1-CB 3.44Å; D1053-R1055 WeakPolarHBondContact OD1-CG 3.45Å; D1053-R1055 IonicContact OD1-CZ 3.89Å; D1053-R1055 PolarHBondContact OD1-N 2.8Å; D1053-R1055 IonicContact OD1-NE 3.02Å; D1053-R1055 PolarHBondContact OD1-NE 3.34Å; D1053-R1055 IonicContact OD1-NH2 3.86Å; D1053-R1055 IonicContact OD2-CZ 3.43Å; D1053-R1055 IonicContact OD2-NE 3.29Å; D1053-R1055 PolarHBondContact OD2-NE 3.12Å; D1053-R1055 IonicContact OD2-NH2 2.72Å; D1053-R1055 PolarHBondContact OD2-NH2 2.67Å; R1055-R1059 WeakPolarHBondContact O-CG 3.41Å; R1055-R1059 PolarHBondContact O-NH1 2.88Å
1056	V	59.6	Low	60.1	Low	87 Å²	87	100.6 Å²	100.6	53%	0.527	50%	0.502	S	S	.	.	H	α-helix	trans	-87	-44.4	169.1	-176.8	0	0	0	0	109.7	D1053 L1054 E1058 R1059 A1060	D1053-V1056 HydrophobicContact CB-CG2 4.09Å; D1053-V1056 WeakPolarHBondContact O-CA 3.33Å; D1053-V1056 VanDerWaalsContact O-CB 3.32Å; D1053-V1056 WeakPolarHBondContact O-CB 3.08Å; D1053-V1056 PolarHBondContact O-N 2.67Å; L1054-V1056 PolarHBondContact O-N 2.96Å; V1056-E1058 PolarHBondContact O-N 2.96Å; V1056-R1059 PolarHBondContact O-N 3.35Å; V1056-A1060 WeakPolarHBondContact O-CB 3.48Å; V1056-A1060 PolarHBondContact O-N 3.09Å
1057	L	60.7	Low	58.4	Low	7 Å²	7	98.3 Å²	98.3	4%	0.037	50%	0.501	C	S	.	.	H	α-helix	trans	-66.2	-36.7	179	-74.9	82.5	0	0	0	112.9	K969 Q971 V1019 V1021 D1053 L1054 A1060	K969-L1057 PolarHBondContact NZ-O 2.8Å; Q971-L1057 HydrophobicContact CB-CD2 4.06Å; Q971-L1057 HydrophobicContact CG-CD2 4.15Å; Q971-L1057 HydrophobicContact CG-CG 4.12Å; V1019-L1057 HydrophobicContact CG1-CD2 3.99Å; V1021-L1057 HydrophobicContact CG2-CB 4.49Å; V1021-L1057 HydrophobicContact CG2-CD2 3.44Å; V1021-L1057 VanDerWaalsContact CG2-CD2 3.44Å; D1053-L1057 VanDerWaalsContact O-CD1 3.28Å; D1053-L1057 WeakPolarHBondContact O-CD1 3.19Å; D1053-L1057 PolarHBondContact O-N 3.02Å; L1054-L1057 PolarHBondContact O-N 2.93Å; L1057-A1060 PolarHBondContact O-N 2.91Å
1058	E	54.1	Low	56.8	Low	124 Å²	124	100.1 Å²	100.1	58%	0.579	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-35.1	175.4	-72.7	-175.5	149	0	0	112	R940 L1054 V1056 A1060	R940-E1058 IonicContact NH2-OE1 3.43Å; R940-E1058 PolarHBondContact NH2-OE1 2.91Å; R940-E1058 VanDerWaalsContact NH2-OE1 3.14Å; L1054-E1058 WeakPolarHBondContact O-CB 3.25Å; L1054-E1058 WeakPolarHBondContact O-CG 3.21Å; L1054-E1058 PolarHBondContact O-N 3.26Å; V1056-E1058 PolarHBondContact O-N 2.96Å; E1058-A1060 VanDerWaalsContact C-N 3.32Å; E1058-A1060 PolarHBondContact O-N 2.92Å
1059	R	41.8	Very low	55.2	Low	187 Å²	187	106.1 Å²	106.1	71%	0.706	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-67.1	-31.3	173.3	-82.7	-176.3	177.8	78.2	0.9	113.3	R1055 V1056 S1061 S1062	R1055-R1059 WeakPolarHBondContact O-CG 3.41Å; R1055-R1059 PolarHBondContact O-NH1 2.88Å; V1056-R1059 PolarHBondContact O-N 3.35Å; R1059-S1061 PolarHBondContact O-N 2.85Å; R1059-S1061 VanDerWaalsContact O-N 3.16Å; R1059-S1062 PolarHBondContact O-N 3.31Å
1060	A	41.1	Very low	54.5	Low	50 Å²	50	100.4 Å²	100.4	41%	0.413	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-79.5	13.1	-171	0	0	0	0	0	115.6	V1056 L1057 E1058	V1056-A1060 WeakPolarHBondContact O-CB 3.48Å; V1056-A1060 PolarHBondContact O-N 3.09Å; L1057-A1060 PolarHBondContact O-N 2.91Å; E1058-A1060 VanDerWaalsContact C-N 3.32Å; E1058-A1060 PolarHBondContact O-N 2.92Å
1061	S	41.4	Very low	53.3	Low	70 Å²	70	99.8 Å²	99.8	49%	0.49	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-141.1	47.7	161.6	62.5	0	0	0	0	111.1	K969 R1059	K969-S1061 WeakPolarHBondContact CE-OG 2.98Å; K969-S1061 PolarHBondContact NZ-OG 2.75Å; R1059-S1061 PolarHBondContact O-N 2.85Å; R1059-S1061 VanDerWaalsContact O-N 3.16Å
1062	S	31.1	Very low	52	Low	111 Å²	111	97.9 Å²	97.9	78%	0.776	49%	0.494	S	S	*	.			trans	-115.7	27	153.8	-173.1	0	0	0	0	110.2	R1059	R1059-S1062 PolarHBondContact O-N 3.31Å
1063	Q	28.2	Very low	49.8	Very low	253 Å²	253	103.8 Å²	103.8	100%	1.182	53%	0.527	S	S	*	.			trans	-117.9	0	163.4	-79.4	-171.2	-19.7	0	0	107.3

Retrieved 1,063 of 1,063 residues in 838.3 ms (Link to these results)

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