A0A093HCJ3_STRCA Loading...

N-acetyltransferase ESCO1

AlphaFold DB , UniProt , Accession A0A093HCJ3, Species STRCA (Struthio camelus australis), Gene n/a, Length 849 aa.

						>A0A093HCJ3_STRCA|A0A093HCJ3
MAAQKRKSTLVEPSAKRPKLDKNSKPSSAKKEKEVSDTKHVSNKSKSNQCTVQKAVLKTSIKSNSDNSSEPELGTRMTTRSSGFKSNNKTAADKKIQQQPKSAKNKEVCQKKSVQEIPKSKCIIAPSEPVTRRSQRLQQLTHVPARSLRNREVKEEKALVVKQSSQAKRHVHSIGAKVPKPAKEKTEQKNMKIKPSGKNEDKEISVEVTSSLKEKRCKADNKNDDSSSFQHNLQGTPFLDHGLGEVKKEQTYLVSPISSHVKKVETGSLKPNSKTVDKEKQQVHQNIKNSIKTKRVSQPSESETDLADQPENDVKSKRVSILELCEEIAGEIESDTVEVKKDSPNAEYRKTEEKRGEVQLQQNEVLPQKEPSQSTQCKRFFPSKKGMPVKCTLNGRNSSSNKNSKWTKIKLMKANNVKQSNLNSTNVPKLSLLKDCFKVSDVSQIATEAQLSNTQGKLSVIRLSENESVTCVQEKLDTSSERAGAKEVTLEIKEPSKRGVENGLLRNLTKHLSEPTPDENFSLHLESSPESSPVKYLTAPKPPKQLKKESGESEHQGLAPKQLTHPLLTNQTSETENRVPLSNPSLASKCSNSLPSEEHIQKLKEAGKDGDKQLIIDAGQKRFGAISCNICGMLYTASNPEDETQHLLFHNQFISAVKYVGWKKERILAEYPDGKIIMVLPDDPKYALKKVEEIREMVDNDLGFQQAPLMCYSRTKTLLFISNDKKVIGCLIAEHIQWGYRVIEEKVPEVSSENEKVIFERQKAWCCSTSPEPAICGISRIWVFSMMRRKKIASRMIECLRSNFIYGSYLSKEEIAFSDPTPDGKLFATQYCGTGQFLVYNFLNGQHHA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	36.8	Very low	241 Å²	241	152.9 Å²	152.9	100%	1.187	81%	0.813	S	S	*	*				0	111.6	0	-60.3	163.4	-177.1	0	0	105.7
2	A	33.9	Very low	36.3	Very low	103 Å²	103	154.1 Å²	154.1	85%	0.851	81%	0.81	S	S	*	*				78.2	127.8	56.7	0	0	0	0	0	112.4
3	A	38.2	Very low	37.4	Very low	84 Å²	84	150.2 Å²	150.2	69%	0.694	80%	0.8	S	S	*	*			cis	-167.9	172.4	-8.8	0	0	0	0	0	113.5
4	Q	38.5	Very low	37	Very low	156 Å²	156	147.6 Å²	147.6	73%	0.729	80%	0.799	S	S	*	*			trans	72.4	155.1	157.9	-65.7	177.3	30.2	0	0	118.5
5	K	39.4	Very low	37.1	Very low	162 Å²	162	143.3 Å²	143.3	70%	0.704	79%	0.791	S	S	*	*			cis	-142.8	136.6	4.4	-110.9	135.3	176.1	155.2	0	108.7
6	R	42.4	Very low	36.7	Very low	232 Å²	232	147.4 Å²	147.4	88%	0.875	80%	0.799	S	S	*	*				57	141.1	93.3	-66	-174.7	175.7	179.1	-0.9	116.1
7	K	39.7	Very low	36.6	Very low	198 Å²	198	152.7 Å²	152.7	86%	0.861	81%	0.805	S	S	*	*			cis	-85.7	-141.8	1.5	-56.7	176.7	-177	176.1	0	110.3
8	S	35.8	Very low	37.1	Very low	97 Å²	97	151.7 Å²	151.7	68%	0.678	81%	0.809	S	S	*	*			cis	-164.8	148.3	-9.1	18.6	0	0	0	0	106.4
9	T	40.4	Very low	36.9	Very low	124 Å²	124	153.7 Å²	153.7	76%	0.761	81%	0.809	S	S	*	*			cis	72.7	123.5	35.1	69.2	0	0	0	0	114.1
10	L	33.8	Very low	36.6	Very low	156 Å²	156	153.2 Å²	153.2	82%	0.817	81%	0.807	S	S	*	*			cis	-151.6	174.4	8.5	-156.9	48.8	0	0	0	107.2
11	V	29.6	Very low	36.3	Very low	129 Å²	129	150.8 Å²	150.8	78%	0.782	79%	0.794	S	S	*	*			cis	-152.2	-179.1	28.8	-149.5	0	0	0	0	110.6
12	E	31.5	Very low	36.3	Very low	167 Å²	167	146.8 Å²	146.8	78%	0.78	77%	0.77	S	S	*	*			trans	-155.2	-172.1	179	-123.5	-142.9	126.1	0	0	108.9
13	P	50.9	Low	36	Very low	104 Å²	104	149 Å²	149	68%	0.675	77%	0.768	S	S	*	*			cis	-118.2	-137.6	0.5	26.9	-0.4	0	0	0	111.1
14	S	31.4	Very low	35.5	Very low	113 Å²	113	150.6 Å²	150.6	79%	0.79	77%	0.774	S	S	*	*			cis	-164.7	-175.7	9.6	-159.7	0	0	0	0	112.6
15	A	37.6	Very low	35.3	Very low	83 Å²	83	152 Å²	152	69%	0.686	78%	0.778	S	S	*	*			trans	-148.3	167.4	-172.4	0	0	0	0	0	115.2
16	K	31.9	Very low	35.3	Very low	210 Å²	210	150.7 Å²	150.7	91%	0.913	79%	0.786	S	S	*	*			trans	178.9	158.3	135.4	-97.5	154.7	-170.9	177.3	0	115.3
17	R	34.9	Very low	34.6	Very low	237 Å²	237	144.1 Å²	144.1	89%	0.894	78%	0.775	S	S	*	*			trans	-105.4	166.8	162.8	-64.8	177.5	175.6	170	-3	109.4
18	P	45.6	Very low	34.1	Very low	135 Å²	135	140.3 Å²	140.3	88%	0.877	77%	0.773	S	S	*	*				-144.4	-145.4	108.7	40	-24.1	0	0	0	114.5
19	K	32.5	Very low	33.9	Very low	189 Å²	189	139.6 Å²	139.6	82%	0.822	77%	0.773	S	S	*	*			trans	-129.6	170.2	-163.6	-52.5	174.1	-177.8	174.4	0	113.2
20	L	31.2	Very low	33.4	Very low	144 Å²	144	142.7 Å²	142.7	75%	0.754	78%	0.776	S	S	*	*			trans	93	142.9	137.6	-125.3	78.5	0	0	0	121.9
21	D	30.1	Very low	33.1	Very low	103 Å²	103	142.7 Å²	142.7	55%	0.551	77%	0.77	S	S	*	*			trans	70.8	119.6	143.1	-89.3	2.2	0	0	0	125.3
22	K	32	Very low	33	Very low	157 Å²	157	143.9 Å²	143.9	68%	0.683	77%	0.767	S	S	*	*				61.6	123.6	123.9	-65.4	170.5	-168.3	143.6	0	123.1
23	N	28	Very low	32.9	Very low	149 Å²	149	144.4 Å²	144.4	80%	0.797	77%	0.767	S	S	*	*				78.1	156.5	128.7	-80.7	-4.8	0	0	0	123
24	S	29.3	Very low	31.8	Very low	118 Å²	118	145.8 Å²	145.8	83%	0.825	76%	0.764	S	S	*	*			trans	87.3	138.8	157.3	74.5	0	0	0	0	118.6
25	K	32.7	Very low	31.7	Very low	185 Å²	185	146.5 Å²	146.5	80%	0.804	76%	0.763	S	S	*	*			trans	-77	163.7	171.3	-58.7	172.9	179.5	173.8	0	108.9
26	P	39.4	Very low	31.3	Very low	135 Å²	135	147.7 Å²	147.7	88%	0.877	77%	0.767	S	S	*	*				-111.7	164.7	106.7	-14.9	31.7	0	0	0	114.4
27	S	27.7	Very low	31.2	Very low	94 Å²	94	142.1 Å²	142.1	66%	0.657	75%	0.747	S	S	*	*			trans	-122.2	-176.8	174.1	52	0	0	0	0	110.1
28	S	30.4	Very low	31.2	Very low	117 Å²	117	137.3 Å²	137.3	82%	0.818	74%	0.744	S	S	*	*			trans	81.1	152	161.5	87.3	0	0	0	0	116.7
29	A	30.1	Very low	30.3	Very low	82 Å²	82	138 Å²	138	68%	0.678	73%	0.733	S	S	*	*			cis	-174.2	-175.4	-21.4	0	0	0	0	0	109.9
30	K	30.8	Very low	30.2	Very low	189 Å²	189	137 Å²	137	82%	0.822	73%	0.731	S	S	*	*			trans	80.8	143.2	167.7	-53.9	175.3	-177.3	175.6	0	114.6
31	K	28.5	Very low	30	Very low	157 Å²	157	136.9 Å²	136.9	68%	0.683	74%	0.736	S	S	*	*			cis	-151.8	133.2	-13	-114	-178.7	171.9	-82.3	0	106.8
32	E	27.1	Very low	29.9	Very low	153 Å²	153	135.5 Å²	135.5	72%	0.715	73%	0.734	S	S	*	*				47.2	114.8	97.4	-58.6	-177.8	146.4	0	0	116.2
33	K	29.7	Very low	29.5	Very low	179 Å²	179	134.8 Å²	134.8	78%	0.778	74%	0.738	S	S	*	*				-163.6	175.8	103.8	-116.6	-173.2	167.6	-108.4	0	113.8
34	E	27.3	Very low	29.5	Very low	132 Å²	132	136.4 Å²	136.4	62%	0.617	74%	0.738	S	S	*	*			trans	-39.5	152.5	-168.4	-72.2	120.7	150.7	0	0	118.9
35	V	29.1	Very low	29.4	Very low	128 Å²	128	135 Å²	135	78%	0.776	73%	0.728	S	S	*	*			cis	91.4	104.6	34.3	173.8	0	0	0	0	115
36	S	29.8	Very low	29	Very low	109 Å²	109	135.9 Å²	135.9	76%	0.762	73%	0.732	S	S	*	*			trans	-164.8	122.4	136.5	33.6	0	0	0	0	106.7
37	D	30	Very low	28.5	Very low	93 Å²	93	134.6 Å²	134.6	50%	0.497	73%	0.726	S	S	.	*				51.6	127.2	74.8	-97.2	-46	0	0	0	112.8	K39	D37-K39 WeakPolarHBondContact OD1-CD 3.43Å; D37-K39 WeakPolarHBondContact OD1-CE 3.38Å; D37-K39 IonicContact OD1-NZ 3.05Å; D37-K39 PolarHBondContact OD1-NZ 2.82Å; D37-K39 IonicContact OD2-NZ 2.67Å; D37-K39 PolarHBondContact OD2-NZ 2.8Å
38	T	33	Very low	28.8	Very low	136 Å²	136	137.2 Å²	137.2	83%	0.834	73%	0.733	S	S	*	*				-144.9	137.1	62.2	-61	0	0	0	0	115.8
39	K	28.7	Very low	28.4	Very low	148 Å²	148	140 Å²	140	64%	0.643	73%	0.733	S	S	*	*			trans	-24.7	153.2	160.7	-71.4	123.6	-178.9	158	0	119.5	D37	D37-K39 WeakPolarHBondContact OD1-CD 3.43Å; D37-K39 WeakPolarHBondContact OD1-CE 3.38Å; D37-K39 IonicContact OD1-NZ 3.05Å; D37-K39 PolarHBondContact OD1-NZ 2.82Å; D37-K39 IonicContact OD2-NZ 2.67Å; D37-K39 PolarHBondContact OD2-NZ 2.8Å
40	H	28.7	Very low	28	Very low	170 Å²	170	141.3 Å²	141.3	79%	0.787	74%	0.736	S	S	*	*			cis	95.4	85.1	37.4	-140.9	-65	0	0	0	114.8
41	V	28	Very low	28.1	Very low	140 Å²	140	138.6 Å²	138.6	85%	0.848	74%	0.735	S	S	*	*			trans	-148.5	120.7	159.1	179.3	0	0	0	0	105.8
42	S	27.9	Very low	28.2	Very low	74 Å²	74	136 Å²	136	52%	0.517	73%	0.732	S	S	.	*			cis	90	119.6	15.1	-156.9	0	0	0	0	116.2
43	N	24.1	Very low	28.4	Very low	143 Å²	143	135.6 Å²	135.6	77%	0.765	73%	0.731	S	S	*	*			trans	75.2	157.4	179.2	-45.4	-74.5	0	0	0	114.8
44	K	26.3	Very low	28.7	Very low	182 Å²	182	135.7 Å²	135.7	79%	0.791	73%	0.731	S	S	*	*			cis	-154.7	148.5	5.2	-145.5	168.8	-174.8	175.4	0	113.2
45	S	27.1	Very low	29	Very low	88 Å²	88	133.1 Å²	133.1	62%	0.615	73%	0.732	S	S	*	*			trans	52.7	122.8	144.6	57	0	0	0	0	123.6
46	K	25.6	Very low	29.1	Very low	205 Å²	205	132.7 Å²	132.7	89%	0.891	73%	0.729	S	S	*	*			trans	65.5	113.1	130.1	-63	178.3	177.7	-174.9	0	120.4
47	S	29.2	Very low	29.2	Very low	108 Å²	108	134.5 Å²	134.5	76%	0.755	73%	0.73	S	S	*	*				-151.8	155.8	128.2	59.8	0	0	0	0	111.5
48	N	33.2	Very low	29.1	Very low	148 Å²	148	138.8 Å²	138.8	79%	0.791	74%	0.744	S	S	*	*			trans	20.2	111.7	154.8	-46	-9.4	0	0	0	117.4
49	Q	22.1	Very low	29	Very low	176 Å²	176	138.5 Å²	138.5	82%	0.822	74%	0.742	S	S	*	*				66.3	111.6	53.6	-165.5	-176.6	8.8	0	0	114.1
50	C	22.2	Very low	28.9	Very low	110 Å²	110	136.4 Å²	136.4	74%	0.743	75%	0.747	S	S	*	*			trans	59.1	130	173.9	-72.3	0	0	0	0	115.2
51	T	33.3	Very low	28.8	Very low	131 Å²	131	135.4 Å²	135.4	80%	0.804	75%	0.745	S	S	*	*			cis	-157.5	175.7	35.2	40.9	0	0	0	0	111.8
52	V	29.8	Very low	28.6	Very low	103 Å²	103	137.7 Å²	137.7	62%	0.624	74%	0.744	S	S	*	*			cis	-166.1	145.4	-47.8	90.2	0	0	0	0	110.8
53	Q	31.1	Very low	28.5	Very low	145 Å²	145	139.7 Å²	139.7	68%	0.678	76%	0.758	S	S	*	*			trans	62.8	167.8	164.3	-67.7	163.6	33.6	0	0	116.8
54	K	36.6	Very low	28.5	Very low	181 Å²	181	139.3 Å²	139.3	79%	0.787	76%	0.756	S	S	*	*			cis	-146.8	162.8	4.9	-117.2	132.4	178.6	155.5	0	106.2
55	A	33.8	Very low	28.6	Very low	78 Å²	78	135.2 Å²	135.2	65%	0.645	75%	0.75	S	S	*	*			cis	-157.1	161.3	-11.3	0	0	0	0	0	106.8
56	V	30.7	Very low	28.6	Very low	118 Å²	118	137.2 Å²	137.2	72%	0.715	75%	0.754	S	S	*	*			cis	78.9	101.2	19.8	-172	0	0	0	0	112.2
57	L	30.9	Very low	28.7	Very low	147 Å²	147	134.6 Å²	134.6	77%	0.77	75%	0.75	S	S	*	*				-169.9	162.2	85.4	-78.4	172.6	0	0	0	111
58	K	28.7	Very low	28.5	Very low	183 Å²	183	133.9 Å²	133.9	80%	0.796	75%	0.745	S	S	*	*			cis	-164	165.4	-33.1	-135.1	-173.6	-157.3	172.4	0	109.1
59	T	30.7	Very low	28.2	Very low	130 Å²	130	131.9 Å²	131.9	80%	0.798	74%	0.742	S	S	*	*			trans	-105.2	163.8	173.5	47.1	0	0	0	0	112.3
60	S	26.9	Very low	28.5	Very low	105 Å²	105	132 Å²	132	73%	0.734	74%	0.743	S	S	*	*			trans	-162.1	132.2	157.1	-105	0	0	0	0	116.2
61	I	26	Very low	29.4	Very low	149 Å²	149	132 Å²	132	76%	0.764	74%	0.742	S	S	*	*			trans	66.1	82.4	137.2	-51.6	166.9	0	0	0	120.2
62	K	24.3	Very low	29.2	Very low	187 Å²	187	133.1 Å²	133.1	81%	0.813	74%	0.738	S	S	*	*				30.4	119.6	107.9	-172.5	179.6	-177.3	-179.4	0	120.7
63	S	25.3	Very low	29.3	Very low	116 Å²	116	135.2 Å²	135.2	81%	0.811	74%	0.744	S	S	*	*			trans	161.3	156.3	141.1	43.9	0	0	0	0	110.2
64	N	24.8	Very low	29.1	Very low	135 Å²	135	131.5 Å²	131.5	72%	0.722	75%	0.746	S	S	*	*			cis	-159	163.8	-36.5	-155.8	39.1	0	0	0	108.6
65	S	28.9	Very low	28.9	Very low	97 Å²	97	128.9 Å²	128.9	68%	0.678	75%	0.745	S	S	*	*			trans	61.5	158.2	167	66.8	0	0	0	0	120
66	D	26.5	Very low	28.8	Very low	129 Å²	129	135.8 Å²	135.8	69%	0.69	75%	0.754	S	S	*	*			cis	-167	152.7	-36.1	-97.5	-42.8	0	0	0	110.1
67	N	27.5	Very low	28.8	Very low	150 Å²	150	137.4 Å²	137.4	80%	0.802	76%	0.756	S	S	*	*			trans	61	153.6	159	-62.9	-33.5	0	0	0	119.6
68	S	25.7	Very low	28.9	Very low	93 Å²	93	135.3 Å²	135.3	65%	0.65	75%	0.749	S	S	*	*			cis	-164.2	170.3	-23.2	57.3	0	0	0	0	110.6
69	S	26.4	Very low	29	Very low	106 Å²	106	132.5 Å²	132.5	74%	0.741	75%	0.747	S	S	*	*			trans	59.8	103	149.5	54.3	0	0	0	0	121.1
70	E	27.5	Very low	29	Very low	180 Å²	180	137 Å²	137	84%	0.841	75%	0.75	S	S	*	*				-34.4	-178.8	126.5	-69.6	-154.2	128.4	0	0	116.7
71	P	42.9	Very low	29.3	Very low	110 Å²	110	136 Å²	136	71%	0.714	74%	0.743	S	S	*	*			cis	-129.6	-149.4	-1	49.6	-34	0	0	0	110.9
72	E	29.2	Very low	29.7	Very low	153 Å²	153	134.7 Å²	134.7	72%	0.715	75%	0.747	S	S	*	*			cis	-158.6	177	-24.6	-137.7	-157.2	131.6	0	0	109.9
73	L	30.4	Very low	29.9	Very low	147 Å²	147	129 Å²	129	77%	0.77	74%	0.741	S	S	*	*			trans	65.4	159.6	150.9	-66.8	158.9	0	0	0	120.8
74	G	27.8	Very low	30.1	Very low	68 Å²	68	131.7 Å²	131.7	70%	0.701	74%	0.739	S	S	*	*			trans	-163.8	-82.9	-175.2	0	0	0	0	0	118
75	T	32	Very low	30.2	Very low	125 Å²	125	133.8 Å²	133.8	77%	0.767	74%	0.741	S	S	*	*			trans	82.4	125.6	169.8	-43.4	0	0	0	0	120.2
76	R	32.6	Very low	30.2	Very low	224 Å²	224	133.3 Å²	133.3	85%	0.845	74%	0.738	S	S	*	*			trans	65.2	113.8	149.4	-82.2	-178.2	155.2	168	-6.2	125.9
77	M	29.7	Very low	30.4	Very low	151 Å²	151	133.2 Å²	133.2	74%	0.744	74%	0.737	S	S	*	*				62.3	111.1	105.6	-65.5	-77.1	-73.4	0	0	124.5
78	T	33.3	Very low	30.5	Very low	103 Å²	103	131.8 Å²	131.8	63%	0.632	73%	0.73	S	S	*	*				59.2	129.8	128.4	62.5	0	0	0	0	124.4
79	T	31.3	Very low	30.8	Very low	124 Å²	124	135.9 Å²	135.9	76%	0.761	74%	0.736	S	S	*	*				-178.3	138.8	112.5	25.2	0	0	0	0	111
80	R	29.9	Very low	31	Very low	226 Å²	226	136.1 Å²	136.1	85%	0.853	73%	0.733	S	S	*	*				55.9	145.8	91.7	-59.8	-176	73.9	-178.4	5.4	116.7
81	S	33.3	Very low	31	Very low	84 Å²	84	131.9 Å²	131.9	59%	0.587	73%	0.729	S	S	*	*			cis	174.5	144.7	-33.5	50.5	0	0	0	0	111.3
82	S	33.5	Very low	30.5	Very low	121 Å²	121	131.2 Å²	131.2	85%	0.846	73%	0.733	S	S	*	*			trans	62.8	164.6	171.7	70.1	0	0	0	0	116.6
83	G	28.9	Very low	30.7	Very low	67 Å²	67	128.2 Å²	128.2	69%	0.691	72%	0.721	S	S	*	*			cis	-157	-166.1	-2.4	0	0	0	0	0	108.8
84	F	28.9	Very low	30.6	Very low	173 Å²	173	130.4 Å²	130.4	76%	0.759	73%	0.725	S	S	*	*			cis	-169	150.4	10.3	-113.1	-53.3	0	0	0	111.3
85	K	28.7	Very low	30.7	Very low	178 Å²	178	134 Å²	134	77%	0.774	72%	0.721	S	S	*	*			trans	62.4	161.4	146.1	-73.5	164.8	-178.8	175.2	0	121
86	S	28.7	Very low	30.5	Very low	87 Å²	87	134.2 Å²	134.2	61%	0.608	72%	0.716	S	S	*	*			cis	-178.7	143.1	-37.4	-140.4	0	0	0	0	111.9
87	N	29.2	Very low	30.2	Very low	128 Å²	128	130.9 Å²	130.9	68%	0.684	71%	0.71	S	S	*	*			trans	67.1	155.6	139.9	-68.8	15.6	0	0	0	119.6
88	N	31.2	Very low	30.1	Very low	120 Å²	120	131.5 Å²	131.5	64%	0.642	71%	0.711	S	S	*	*			cis	-171.8	167.8	-14.3	-113.2	-11.1	0	0	0	114.5
89	K	31.6	Very low	29.8	Very low	178 Å²	178	135.2 Å²	135.2	77%	0.774	72%	0.722	S	S	*	*			trans	74.3	156.6	141.1	-86	-174.1	168.5	-170.2	0	120.1
90	T	29.6	Very low	30.3	Very low	111 Å²	111	133.6 Å²	133.6	68%	0.681	71%	0.713	S	S	*	*			cis	-149.5	158.1	-8.1	0.7	0	0	0	0	107.6
91	A	28.9	Very low	30.1	Very low	91 Å²	91	131.8 Å²	131.8	75%	0.752	71%	0.711	S	S	*	*				53.4	156.9	62.6	0	0	0	0	0	115
92	A	31.6	Very low	29.7	Very low	97 Å²	97	133.6 Å²	133.6	80%	0.802	72%	0.724	S	S	*	*			cis	-149.6	-152.5	-4.5	0	0	0	0	0	107.2
93	D	32.7	Very low	29.4	Very low	89 Å²	89	132 Å²	132	48%	0.476	72%	0.718	S	S	.	*			cis	-167.2	133.4	1.3	150.4	54.1	0	0	0	108	K95	D93-K95 WeakPolarHBondContact OD1-CD 3.49Å; D93-K95 WeakPolarHBondContact OD1-CE 3.28Å; D93-K95 WeakPolarHBondContact OD1-CG 3.38Å; D93-K95 IonicContact OD1-NZ 3.53Å; D93-K95 VanDerWaalsContact OD2-CE 3.28Å; D93-K95 WeakPolarHBondContact OD2-CE 3.18Å; D93-K95 IonicContact OD2-NZ 2.68Å; D93-K95 PolarHBondContact OD2-NZ 2.68Å
94	K	29.9	Very low	29.3	Very low	193 Å²	193	138 Å²	138	84%	0.839	73%	0.725	S	S	*	*			trans	178.9	133	150.5	-94.5	144.2	-165.5	-178.1	0	111.7
95	K	28.5	Very low	29.1	Very low	145 Å²	145	136.9 Å²	136.9	63%	0.63	73%	0.727	S	S	*	*			cis	99.3	146.2	25.2	-73.3	174.9	170	161.4	0	113.2	D93	D93-K95 WeakPolarHBondContact OD1-CD 3.49Å; D93-K95 WeakPolarHBondContact OD1-CE 3.28Å; D93-K95 WeakPolarHBondContact OD1-CG 3.38Å; D93-K95 IonicContact OD1-NZ 3.53Å; D93-K95 VanDerWaalsContact OD2-CE 3.28Å; D93-K95 WeakPolarHBondContact OD2-CE 3.18Å; D93-K95 IonicContact OD2-NZ 2.68Å; D93-K95 PolarHBondContact OD2-NZ 2.68Å
96	I	27.8	Very low	29	Very low	129 Å²	129	136.8 Å²	136.8	66%	0.662	73%	0.727	S	S	*	*			cis	-163.7	129.3	-8.5	-113.4	167.9	0	0	0	106.9
97	Q	26.6	Very low	28.8	Very low	154 Å²	154	139.2 Å²	139.2	72%	0.72	73%	0.728	S	S	*	*				83	148.2	95.6	-150.5	-157.6	17.5	0	0	118.1
98	Q	28.6	Very low	28.5	Very low	164 Å²	164	138.5 Å²	138.5	77%	0.766	73%	0.728	S	S	*	*			trans	103.3	173.9	158.1	-50.1	-161.6	30.9	0	0	119.7
99	Q	25.5	Very low	28.1	Very low	181 Å²	181	137.6 Å²	137.6	85%	0.846	73%	0.73	S	S	*	*			trans	-158.4	-173.9	-147.8	-102.7	-158.1	22.6	0	0	110.1
100	P	43.3	Very low	27.9	Very low	90 Å²	90	135.6 Å²	135.6	58%	0.584	72%	0.724	S	S	*	*			cis	-141.9	-164.5	-22.2	31.2	-6.7	0	0	0	115.5
101	K	24.7	Very low	27.8	Very low	187 Å²	187	137.9 Å²	137.9	81%	0.813	73%	0.725	S	S	*	*			trans	101.6	145.7	141.9	-80.2	167.9	-178.2	175.5	0	123.2
102	S	26.2	Very low	27.7	Very low	123 Å²	123	142.6 Å²	142.6	86%	0.86	73%	0.728	S	S	*	*			trans	82.7	161.1	155	79.3	0	0	0	0	119.8
103	A	26.9	Very low	27.4	Very low	87 Å²	87	142.7 Å²	142.7	72%	0.719	72%	0.722	S	S	*	*			cis	-171.1	152.6	-43.3	0	0	0	0	0	112.8
104	K	26.3	Very low	27.1	Very low	192 Å²	192	144.4 Å²	144.4	84%	0.835	74%	0.736	S	S	*	*			trans	66.5	115.7	158.3	-69.2	176.5	178.8	176.7	0	121.9
105	N	24.6	Very low	27	Very low	150 Å²	150	143.9 Å²	143.9	80%	0.802	74%	0.737	S	S	*	*				47	158.1	117.8	-60.3	-0.8	0	0	0	124.2
106	K	27.4	Very low	26.8	Very low	177 Å²	177	144.9 Å²	144.9	77%	0.77	74%	0.743	S	S	*	*			trans	79.3	145.5	163.3	-73.2	178.8	165	-96.3	0	116.2
107	E	24.3	Very low	27	Very low	137 Å²	137	145.1 Å²	145.1	64%	0.64	75%	0.745	S	S	*	*			cis	-163.8	146.3	-16.2	-128.1	176.4	135.2	0	0	113.4
108	V	22.6	Very low	27.5	Very low	113 Å²	113	143 Å²	143	69%	0.685	74%	0.744	S	S	*	*			trans	56	145.1	132.7	158.1	0	0	0	0	123.8
109	C	22.7	Very low	27.5	Very low	101 Å²	101	144.1 Å²	144.1	68%	0.682	75%	0.746	S	S	*	*			trans	78.1	153.9	158.6	-84.3	0	0	0	0	120.9
110	Q	27.6	Very low	27.8	Very low	137 Å²	137	140.3 Å²	140.3	64%	0.64	74%	0.74	S	S	*	*			cis	-171.3	150.8	-42.8	-121	179.8	66.6	0	0	112.7
111	K	26.5	Very low	27.3	Very low	159 Å²	159	145.3 Å²	145.3	69%	0.691	75%	0.752	S	S	*	*			trans	73.3	131.9	143.5	-85.5	175.7	179.9	141.9	0	122.9
112	K	27.1	Very low	27.4	Very low	190 Å²	190	141.4 Å²	141.4	83%	0.826	75%	0.748	S	S	*	*			trans	78.6	150	143.6	-70.8	177	174.1	-169.9	0	116.5
113	S	25.4	Very low	27.4	Very low	98 Å²	98	142.9 Å²	142.9	69%	0.685	74%	0.744	S	S	*	*			cis	-149.8	148	19.3	54.3	0	0	0	0	115.7
114	V	26.4	Very low	27.5	Very low	125 Å²	125	146 Å²	146	76%	0.758	75%	0.747	S	S	*	*			trans	69.5	148.3	137.4	168.4	0	0	0	0	116.8
115	Q	27.5	Very low	27.7	Very low	183 Å²	183	141.2 Å²	141.2	86%	0.855	74%	0.744	S	S	*	*			cis	-139.7	-161.7	14.6	-150.6	144.4	-6.4	0	0	113.6
116	E	24.6	Very low	28.7	Very low	165 Å²	165	140 Å²	140	77%	0.771	74%	0.744	S	S	*	*			trans	-121.7	146.2	-165	-52.6	-178.2	108.5	0	0	116.4
117	I	31.4	Very low	29	Very low	135 Å²	135	136.6 Å²	136.6	69%	0.692	74%	0.743	S	S	*	*				32.6	123.5	125.2	-55.6	171.9	0	0	0	117.9
118	P	38.6	Very low	29.4	Very low	108 Å²	108	137.3 Å²	137.3	70%	0.701	75%	0.746	S	S	*	*				-157.4	147	87.8	39.6	-19	0	0	0	121.5
119	K	28.5	Very low	30.8	Very low	188 Å²	188	137 Å²	137	82%	0.817	75%	0.746	S	S	*	*				38.2	146.3	122.9	-45.7	165.6	-173.5	164.7	0	119.2
120	S	30.7	Very low	31.4	Very low	101 Å²	101	138.2 Å²	138.2	71%	0.706	75%	0.75	S	S	*	*			cis	-173.6	153.6	36	60.6	0	0	0	0	116
121	K	32.6	Very low	31.9	Very low	195 Å²	195	136.7 Å²	136.7	85%	0.848	75%	0.75	S	S	*	*			trans	51.3	153.7	132.9	-66.9	-174.7	173.5	-175.4	0	122
122	C	26.8	Very low	32.3	Very low	106 Å²	106	140.3 Å²	140.3	72%	0.716	76%	0.76	S	S	*	*			cis	-175.4	-174.7	-16.9	-100.4	0	0	0	0	107.4
123	I	28.1	Very low	32.8	Very low	153 Å²	153	142.5 Å²	142.5	79%	0.785	76%	0.763	S	S	*	*			cis	-123.3	-117.6	5.9	-16.3	172.7	0	0	0	110.4
124	I	27.5	Very low	33.5	Very low	152 Å²	152	142.4 Å²	142.4	78%	0.779	76%	0.762	S	S	*	*			cis	-152.7	144.5	-10.3	-28.4	165.8	0	0	0	108.9
125	A	32	Very low	34.2	Very low	93 Å²	93	143.1 Å²	143.1	77%	0.769	76%	0.757	S	S	*	*			trans	-167.2	154.3	166.6	0	0	0	0	0	112.2
126	P	45.7	Very low	34.4	Very low	125 Å²	125	144.4 Å²	144.4	81%	0.812	75%	0.754	S	S	*	*			trans	-140.5	167.7	148.5	36.9	-21.7	0	0	0	112.7
127	S	32.9	Very low	34.9	Very low	105 Å²	105	143 Å²	143	73%	0.734	75%	0.752	S	S	*	*			cis	-161.5	140.6	-11.1	41.6	0	0	0	0	107.6
128	E	33.2	Very low	35	Very low	152 Å²	152	144 Å²	144	71%	0.71	75%	0.753	S	S	*	*				69.1	163.8	68.4	-110	-136.6	-179.4	0	0	114.7
129	P	52.2	Low	34.7	Very low	106 Å²	106	146 Å²	146	69%	0.688	75%	0.753	S	S	*	*			cis	-85.5	-158.4	4.9	-6.3	28.7	0	0	0	113.6
130	V	35.3	Very low	34.8	Very low	127 Å²	127	144 Å²	144	77%	0.77	75%	0.751	S	S	*	*			cis	-138.4	-160.8	15.9	-152.5	0	0	0	0	111.4
131	T	37	Very low	34.6	Very low	105 Å²	105	146.2 Å²	146.2	64%	0.644	76%	0.76	S	S	*	*			trans	-134.1	-179.5	-162.1	66.2	0	0	0	0	112.5
132	R	35.1	Very low	34.6	Very low	235 Å²	235	145.8 Å²	145.8	89%	0.887	76%	0.761	S	S	*	*				-157.8	-120.5	80.1	-135.7	160.4	-149	-164.9	4.4	116.1
133	R	37.4	Very low	34.6	Very low	235 Å²	235	146.8 Å²	146.8	89%	0.887	76%	0.763	S	S	*	*			trans	-162.2	166.3	-157.8	-83.8	-172.3	175.1	174.4	-2.3	112.3
134	S	41.1	Very low	35.4	Very low	97 Å²	97	145.1 Å²	145.1	68%	0.678	76%	0.762	S	S	*	*			cis	175.3	177.6	-23.9	65.3	0	0	0	0	107.7
135	Q	39.8	Very low	35.4	Very low	140 Å²	140	141.9 Å²	141.9	65%	0.654	76%	0.758	S	S	*	*			cis	-170.4	165	8.1	-158.4	-171.5	93.5	0	0	110.6
136	R	32	Very low	35.2	Very low	210 Å²	210	149.2 Å²	149.2	79%	0.792	77%	0.766	S	S	*	*			trans	81	165.1	140.5	-145.1	177.9	-167.8	124.2	-10.8	120.9
137	L	34.5	Very low	34.3	Very low	136 Å²	136	148.3 Å²	148.3	71%	0.712	76%	0.763	S	S	*	*				-169.9	150.2	-63.5	-154.4	74.6	0	0	0	111.6
138	Q	34.7	Very low	34.1	Very low	155 Å²	155	150 Å²	150	72%	0.724	76%	0.763	S	S	*	*			trans	69.5	158.9	164.7	-51.3	-170.4	-9	0	0	118.2
139	Q	32.3	Very low	33.8	Very low	151 Å²	151	153 Å²	153	71%	0.706	77%	0.767	S	S	*	*			cis	-162.3	163.7	-23.7	-112	-174.2	-1.7	0	0	111.3
140	L	30	Very low	32.7	Very low	145 Å²	145	154.9 Å²	154.9	76%	0.759	77%	0.772	S	S	*	*			trans	58.3	121.7	154	-70.3	163.8	0	0	0	122.3
141	T	27.5	Very low	32.8	Very low	147 Å²	147	160 Å²	160	90%	0.902	78%	0.777	S	S	*	*				-175.6	178.6	117.3	23.1	0	0	0	0	113.1
142	H	30.9	Very low	32.6	Very low	187 Å²	187	163.3 Å²	163.3	87%	0.866	79%	0.786	S	S	*	*			trans	-84.4	159.6	-157.1	-101.2	-126.1	0	0	0	118.5
143	V	28.6	Very low	32.9	Very low	126 Å²	126	157.4 Å²	157.4	76%	0.764	78%	0.775	S	S	*	*			trans	-69.8	163.8	159.2	-106.2	0	0	0	0	111.5
144	P	44.7	Very low	32.7	Very low	119 Å²	119	154.6 Å²	154.6	77%	0.773	77%	0.769	S	S	*	*			cis	-154	178.3	41.3	45.2	-24.1	0	0	0	120.6
145	A	27.5	Very low	32.5	Very low	83 Å²	83	157 Å²	157	69%	0.686	77%	0.77	S	S	*	*			trans	78.5	128.5	140	0	0	0	0	0	124.1
146	R	27.7	Very low	32.2	Very low	247 Å²	247	157.2 Å²	157.2	93%	0.932	77%	0.771	S	S	*	*			trans	52	125.5	137.4	-70.9	-178.7	169.3	170.8	-2.9	121.4
147	S	26.5	Very low	32.3	Very low	107 Å²	107	155.1 Å²	155.1	75%	0.748	77%	0.767	S	S	*	*				130.2	130.1	117.7	-156.7	0	0	0	0	117.2
148	L	27.6	Very low	32	Very low	140 Å²	140	153 Å²	153	73%	0.733	77%	0.77	S	S	*	*			trans	8.1	127	149.7	-58.2	171.4	0	0	0	121.7
149	R	28.1	Very low	32.3	Very low	215 Å²	215	153.2 Å²	153.2	81%	0.811	78%	0.775	S	S	*	*				67.6	135.4	129	-69.4	-173.2	-179.1	-172.8	1	121.7
150	N	28.9	Very low	32.3	Very low	146 Å²	146	151.8 Å²	151.8	78%	0.781	78%	0.777	S	S	*	*			trans	78	87.5	143.8	-62.4	8.9	0	0	0	120.7
151	R	38	Very low	32.5	Very low	233 Å²	233	150.6 Å²	150.6	88%	0.879	78%	0.775	S	S	*	*				-4.9	123.7	128.6	179.3	-168.7	-169.8	161.6	5.2	117.4
152	E	32.2	Very low	32.8	Very low	176 Å²	176	151.6 Å²	151.6	82%	0.822	77%	0.767	S	S	*	*				169.7	166.9	128.1	-93.2	-162.8	132.8	0	0	109.6
153	V	41.5	Very low	32.8	Very low	110 Å²	110	149.7 Å²	149.7	67%	0.667	76%	0.758	S	S	*	*			cis	179	148.7	-43.8	134.6	0	0	0	0	107.8
154	K	32.3	Very low	32.7	Very low	176 Å²	176	147.5 Å²	147.5	77%	0.765	75%	0.748	S	S	*	*			trans	122.3	162.1	167.1	-77.6	179.8	164.3	-80.5	0	114.8
155	E	37.4	Very low	31.9	Very low	147 Å²	147	146.3 Å²	146.3	69%	0.687	74%	0.743	S	S	*	*			cis	-179	171.6	-33.5	-175.4	163.5	-162.4	0	0	108.5
156	E	34	Very low	31.9	Very low	146 Å²	146	151.3 Å²	151.3	68%	0.682	75%	0.752	S	S	*	*			trans	99.8	139.5	169.5	-55.8	-146.8	159.2	0	0	116.4
157	K	34.3	Very low	31.9	Very low	165 Å²	165	144.1 Å²	144.1	72%	0.717	75%	0.746	S	S	*	*			cis	-151.4	154.7	-13.1	-125.6	174.8	-165.7	140.9	0	112.2
158	A	28.3	Very low	31.9	Very low	92 Å²	92	148.1 Å²	148.1	76%	0.76	75%	0.749	S	S	*	*			trans	-142.1	170	168.2	0	0	0	0	0	110
159	L	39.2	Very low	32.3	Very low	159 Å²	159	151.6 Å²	151.6	83%	0.832	75%	0.753	S	S	*	*			trans	-143.1	151	-174.3	-67.8	176.6	0	0	0	109.1
160	V	32.8	Very low	32.5	Very low	122 Å²	122	150 Å²	150	74%	0.739	75%	0.754	S	S	*	*			cis	-167.5	-176.3	-15.4	60.3	0	0	0	0	106.6
161	V	35.2	Very low	32.3	Very low	119 Å²	119	149.2 Å²	149.2	72%	0.721	76%	0.755	S	S	*	*			trans	69.8	142.4	175	162.8	0	0	0	0	113.1
162	K	33.3	Very low	31.8	Very low	168 Å²	168	146.8 Å²	146.8	73%	0.73	75%	0.753	S	S	*	*			cis	-162.9	160	-17.8	-105.3	-172.3	-178.2	-167.1	0	105.7
163	Q	31.5	Very low	31.6	Very low	148 Å²	148	143.8 Å²	143.8	69%	0.692	75%	0.751	S	S	*	*			cis	-164.7	157.9	-17	-131.5	-176.8	-95.4	0	0	105.4
164	S	25.8	Very low	30.9	Very low	79 Å²	79	147.2 Å²	147.2	55%	0.552	76%	0.764	S	S	*	*			cis	-146.5	133.6	4.6	-32.2	0	0	0	0	111
165	S	28.5	Very low	30.5	Very low	95 Å²	95	142.2 Å²	142.2	66%	0.664	76%	0.763	S	S	*	*				35.1	139.3	127.4	64.9	0	0	0	0	122.4
166	Q	26.2	Very low	29.9	Very low	187 Å²	187	140 Å²	140	87%	0.874	77%	0.769	S	S	*	*			cis	-167.5	152	-8.7	-123	156.2	4.6	0	0	113.9
167	A	28.1	Very low	29.5	Very low	97 Å²	97	142.7 Å²	142.7	80%	0.802	78%	0.779	S	S	*	*			trans	3.2	142.4	159.3	0	0	0	0	0	124.5
168	K	27.5	Very low	29.3	Very low	190 Å²	190	141.3 Å²	141.3	83%	0.826	78%	0.784	S	S	*	*			trans	-121.1	150.5	137.7	-71.6	176.4	-179.1	169.5	0	106.9
169	R	36.1	Very low	29.6	Very low	214 Å²	214	142.6 Å²	142.6	81%	0.808	78%	0.784	S	S	*	*			cis	-167.9	141	-9.8	-113.6	-179.2	-178.7	-180	-1.4	108.4
170	H	30.7	Very low	29.1	Very low	181 Å²	181	144.1 Å²	144.1	84%	0.838	78%	0.784	S	S	*	*			trans	175.2	159.2	141.2	-96.3	-58.7	0	0	0	107.2
171	V	25.6	Very low	29.6	Very low	130 Å²	130	144 Å²	144	79%	0.788	79%	0.786	S	S	*	*			cis	-128.4	161.5	28	169.1	0	0	0	0	111.2
172	H	28.3	Very low	29.1	Very low	182 Å²	182	142.2 Å²	142.2	84%	0.843	78%	0.784	S	S	*	*			trans	-106	130.3	160.9	-97.7	-84.4	0	0	0	109.9
173	S	26.4	Very low	28.7	Very low	113 Å²	113	142.4 Å²	142.4	79%	0.79	79%	0.785	S	S	*	*			trans	-102	173.7	168.8	49.3	0	0	0	0	111.6
174	I	27.1	Very low	28.4	Very low	181 Å²	181	143.2 Å²	143.2	93%	0.928	79%	0.788	S	S	*	*			trans	-92.1	145.4	-160.9	-61.5	160.2	0	0	0	111.7
175	G	24.2	Very low	28.6	Very low	72 Å²	72	147.2 Å²	147.2	74%	0.742	80%	0.796	S	S	*	*			trans	-152.5	-5.7	-169.5	0	0	0	0	0	122.6
176	A	25.3	Very low	28.5	Very low	99 Å²	99	146.8 Å²	146.8	82%	0.818	79%	0.79	S	S	*	*			trans	63.3	174	166.2	0	0	0	0	0	121.5
177	K	25.2	Very low	28.6	Very low	203 Å²	203	145 Å²	145	88%	0.883	78%	0.781	S	S	*	*			trans	74.9	92.9	167.6	-68.9	-173.2	177	179.2	0	122.2
178	V	30.4	Very low	28.6	Very low	136 Å²	136	146.7 Å²	146.7	82%	0.824	77%	0.772	S	S	*	*				-14.4	141.3	122	158.3	0	0	0	0	114.7
179	P	33.8	Very low	28.6	Very low	119 Å²	119	146.1 Å²	146.1	77%	0.773	77%	0.77	S	S	*	*			cis	-145.1	-178	45.5	39.8	-18.8	0	0	0	120
180	K	29.1	Very low	28.2	Very low	191 Å²	191	142.5 Å²	142.5	83%	0.83	77%	0.766	S	S	*	*			trans	-60.2	175.4	154.4	-74	-178.3	176.8	179.5	0	111.3
181	P	43.3	Very low	28.1	Very low	120 Å²	120	141.2 Å²	141.2	78%	0.779	76%	0.763	S	S	*	*			cis	-155.3	-162.4	30.5	45.8	-23.2	0	0	0	118.5
182	A	25.7	Very low	28	Very low	82 Å²	82	143.4 Å²	143.4	68%	0.678	76%	0.762	S	S	*	*			trans	71.7	154.6	151.2	0	0	0	0	0	118.3
183	K	24.8	Very low	28	Very low	172 Å²	172	141.6 Å²	141.6	75%	0.748	76%	0.757	S	S	*	*			cis	-147.2	177.3	-11.6	-107.5	157	-165.8	170.5	0	105.8
184	E	25.4	Very low	28.3	Very low	164 Å²	164	145.6 Å²	145.6	77%	0.766	76%	0.76	S	S	*	*			cis	-151.6	151.5	34.3	-129.1	134	-141.5	0	0	107.7
185	K	28.8	Very low	28.8	Very low	163 Å²	163	142.6 Å²	142.6	71%	0.709	75%	0.752	S	S	*	*				67.7	142.7	51.8	-85.6	-168.8	153.3	-144.8	0	113.2
186	T	26.6	Very low	28.8	Very low	87 Å²	87	144.6 Å²	144.6	53%	0.534	76%	0.755	S	S	.	*			cis	-158.1	157.9	10	-5.6	0	0	0	0	113.3
187	E	27.4	Very low	29	Very low	150 Å²	150	143.2 Å²	143.2	70%	0.701	75%	0.75	S	S	*	*			trans	65.6	161.7	144.1	-71.9	172.3	109.4	0	0	119.7
188	Q	29.4	Very low	29.1	Very low	131 Å²	131	143 Å²	143	61%	0.612	75%	0.749	S	S	*	*			cis	-145.7	-169.4	-6.4	-123.8	175	54.5	0	0	106.7
189	K	27.9	Very low	29	Very low	178 Å²	178	143.1 Å²	143.1	77%	0.774	75%	0.745	S	S	*	*			cis	-138.2	-116.9	10.4	-155.8	174.1	-167.3	82.3	0	112.5
190	N	26.1	Very low	29.1	Very low	138 Å²	138	146.3 Å²	146.3	74%	0.738	75%	0.75	S	S	*	*			trans	-166.1	163.4	-167.2	-155	-18.4	0	0	0	112.2
191	M	29.1	Very low	29.2	Very low	154 Å²	154	144.5 Å²	144.5	76%	0.759	75%	0.75	S	S	*	*			trans	67.7	157.4	162.2	-64.2	176.5	67.4	0	0	119.8
192	K	24.2	Very low	29	Very low	176 Å²	176	146.3 Å²	146.3	77%	0.765	75%	0.745	S	S	*	*			cis	-175.1	168.7	-27.4	-171.3	176.6	179.6	177.8	0	108.6
193	I	27.9	Very low	29.3	Very low	145 Å²	145	148.8 Å²	148.8	74%	0.744	74%	0.743	S	S	*	*			trans	96.7	112.9	157.8	-53.5	176.1	0	0	0	118.6
194	K	33	Very low	29.7	Very low	196 Å²	196	146.9 Å²	146.9	85%	0.852	74%	0.739	S	S	*	*			trans	35.8	151.6	138.6	-78.5	-175.4	178	-175.3	0	121.7
195	P	38.3	Very low	29.9	Very low	119 Å²	119	142.2 Å²	142.2	77%	0.773	73%	0.725	S	S	*	*			cis	-144.4	-171.8	42.4	43	-22.8	0	0	0	118.3
196	S	23.9	Very low	30	Very low	114 Å²	114	139 Å²	139	80%	0.797	72%	0.719	S	S	*	*			trans	-64.6	161	166.8	47	0	0	0	0	113.4
197	G	28.1	Very low	29.9	Very low	70 Å²	70	142.6 Å²	142.6	72%	0.722	73%	0.729	S	S	*	*			cis	136.3	154.4	1.5	0	0	0	0	0	112.2
198	K	27.6	Very low	29.9	Very low	198 Å²	198	140.5 Å²	140.5	86%	0.861	73%	0.727	S	S	*	*			trans	-176	141.3	161.1	-107.7	169.6	-176.5	-177.6	0	112.1
199	N	28.4	Very low	29.8	Very low	138 Å²	138	139.8 Å²	139.8	74%	0.738	73%	0.731	S	S	*	*			trans	30	115.7	153.4	-50.3	24.6	0	0	0	117.6
200	E	36	Very low	29.6	Very low	186 Å²	186	136.5 Å²	136.5	87%	0.869	73%	0.73	S	S	*	*				55.9	112	58.1	-56.8	-163.1	127.4	0	0	114.2
201	D	30.5	Very low	29.6	Very low	154 Å²	154	134.7 Å²	134.7	82%	0.824	73%	0.729	S	S	*	*				-159.8	178.3	104.1	-130.6	-40.4	0	0	0	113.8
202	K	38.9	Very low	29.5	Very low	157 Å²	157	134.6 Å²	134.6	68%	0.683	73%	0.73	S	S	*	*			trans	-86.4	178.8	-171.2	-77.3	167.9	152.8	-123.9	0	114.1
203	E	33.4	Very low	29.6	Very low	134 Å²	134	136.1 Å²	136.1	63%	0.626	74%	0.737	S	S	*	*			cis	-165.5	174.9	-3.8	-119.1	162.5	170.7	0	0	112.1
204	I	33.5	Very low	29.5	Very low	133 Å²	133	136.4 Å²	136.4	68%	0.682	74%	0.735	S	S	*	*			trans	62.3	107.7	139.2	-70.5	166.1	0	0	0	123.4
205	S	28.1	Very low	29.5	Very low	66 Å²	66	135.8 Å²	135.8	46%	0.462	73%	0.733	S	S	.	*				64.3	159	112.3	106.8	0	0	0	0	126.2	K541	S205-K541 VanDerWaalsContact C-NZ 3.34Å; S205-K541 PolarHBondContact O-NZ 2.67Å
206	V	30.7	Very low	28.9	Very low	95 Å²	95	142 Å²	142	58%	0.576	74%	0.741	S	S	*	*			trans	64.7	166.3	138.9	172.4	0	0	0	0	123.6	K541	V206-K541 PolarHBondContact O-NZ 3.05Å
207	E	25.9	Very low	29	Very low	163 Å²	163	142.6 Å²	142.6	76%	0.762	74%	0.743	S	S	*	*			trans	-43.9	-173.8	-175.1	-73.9	-179.3	118.4	0	0	122.3
208	V	27.8	Very low	29	Very low	106 Å²	106	149.4 Å²	149.4	64%	0.642	75%	0.753	S	S	*	*			cis	-169.7	152	-40.7	77.5	0	0	0	0	111.6
209	T	26	Very low	28.9	Very low	116 Å²	116	143.9 Å²	143.9	71%	0.712	74%	0.744	S	S	*	*			trans	59.3	156.7	162.6	65.5	0	0	0	0	123.1
210	S	24.3	Very low	28.9	Very low	108 Å²	108	143.5 Å²	143.5	76%	0.755	74%	0.742	S	S	*	*			trans	75.6	158.2	152.9	96.4	0	0	0	0	116.7
211	S	26.8	Very low	28.8	Very low	100 Å²	100	141 Å²	141	70%	0.699	74%	0.735	S	S	*	*			cis	-134.7	141.9	-8.8	-62.3	0	0	0	0	107.3
212	L	25.9	Very low	29	Very low	152 Å²	152	141.5 Å²	141.5	80%	0.796	73%	0.73	S	S	*	*				49.7	95	65.7	-116.2	176	0	0	0	114.7	E214	L212-E214 HydrophobicContact CD2-CG 4.3Å
213	K	26.5	Very low	28.6	Very low	209 Å²	209	140.5 Å²	140.5	91%	0.909	73%	0.732	S	S	*	*			trans	-139	113.3	157.4	-94.4	-172.5	176.2	176.4	0	109.8
214	E	26.8	Very low	28.5	Very low	150 Å²	150	139.3 Å²	139.3	70%	0.701	73%	0.73	S	S	*	*			trans	-84.6	-177.4	168.2	-61	-169.4	125.1	0	0	111.9	L212	L212-E214 HydrophobicContact CD2-CG 4.3Å
215	K	31.8	Very low	28.3	Very low	184 Å²	184	139.5 Å²	139.5	80%	0.8	73%	0.732	S	S	*	*			trans	72.7	93.1	159.2	-60.5	170.5	-171.6	177.1	0	116.1
216	R	26.6	Very low	28.4	Very low	249 Å²	249	140.3 Å²	140.3	94%	0.94	74%	0.738	S	S	*	*				-158	145.5	99	-104.3	172	-171.3	-164.3	1.9	112.4
217	C	25.1	Very low	28.4	Very low	126 Å²	126	141.1 Å²	141.1	85%	0.851	75%	0.748	S	S	*	*			trans	-84.5	133.4	172.9	-48.4	0	0	0	0	110.1
218	K	27.9	Very low	28.5	Very low	213 Å²	213	138.1 Å²	138.1	93%	0.926	75%	0.745	S	S	*	*			trans	-174.1	148.3	130.5	-104.8	173.6	-178.7	-173.7	0	110.4
219	A	26.3	Very low	28.6	Very low	82 Å²	82	141.5 Å²	141.5	68%	0.678	75%	0.751	S	S	*	*			trans	-81.9	175.9	168.8	0	0	0	0	0	109.4
220	D	29	Very low	28.8	Very low	131 Å²	131	143.5 Å²	143.5	70%	0.701	75%	0.753	S	S	*	*			cis	-159	165.8	24.2	-130.8	-30.9	0	0	0	114.6
221	N	33.5	Very low	29	Very low	134 Å²	134	145.8 Å²	145.8	72%	0.717	75%	0.751	S	S	*	*			trans	35.3	125.9	153.2	-64.4	-45.5	0	0	0	123
222	K	34.3	Very low	29	Very low	164 Å²	164	146.9 Å²	146.9	71%	0.713	75%	0.749	S	S	*	*				-169.4	153.6	117.5	-108.5	176.3	176.7	-170.2	0	110.4	D224	K222-D224 WeakPolarHBondContact CE-OD1 3.17Å; K222-D224 WeakPolarHBondContact CG-OD1 3.09Å
223	N	30.9	Very low	29.1	Very low	136 Å²	136	146.7 Å²	146.7	73%	0.727	75%	0.748	S	S	*	*	S	Bend	cis	-127.1	157.8	1.6	-60.6	89.1	0	0	0	108.5
224	D	30.3	Very low	29	Very low	108 Å²	108	145.7 Å²	145.7	58%	0.578	75%	0.747	S	S	*	*			cis	-157.9	-151.6	-22.9	-96.9	-33.7	0	0	0	103.2	K222	K222-D224 WeakPolarHBondContact CE-OD1 3.17Å; K222-D224 WeakPolarHBondContact CG-OD1 3.09Å
225	D	29.1	Very low	29	Very low	138 Å²	138	142.4 Å²	142.4	74%	0.738	75%	0.753	S	S	*	*			cis	-160.5	163.6	12.3	-170.1	12.8	0	0	0	110.6
226	S	31.9	Very low	28.8	Very low	83 Å²	83	140.2 Å²	140.2	58%	0.58	76%	0.755	S	S	*	*			trans	24.3	106	158.9	-65.5	0	0	0	0	119.7
227	S	29.4	Very low	29.9	Very low	111 Å²	111	133 Å²	133	78%	0.776	74%	0.74	S	S	*	*				72.5	140.8	59.9	92.1	0	0	0	0	113.6
228	S	29.3	Very low	30.1	Very low	101 Å²	101	135.4 Å²	135.4	71%	0.706	74%	0.737	S	S	*	*			cis	-153.8	-166	9.9	54.1	0	0	0	0	109.2
229	F	29.3	Very low	30.1	Very low	176 Å²	176	131.6 Å²	131.6	77%	0.772	73%	0.726	S	S	*	*			cis	-150.2	-94.7	8.4	-146.9	-61.3	0	0	0	113.4
230	Q	30.1	Very low	30	Very low	159 Å²	159	133.4 Å²	133.4	74%	0.743	72%	0.724	S	S	*	*			trans	-149.3	173.1	-171.4	-78.8	169	-29.1	0	0	109.3
231	H	28.1	Very low	30	Very low	155 Å²	155	133.9 Å²	133.9	72%	0.718	72%	0.722	S	S	*	*			cis	-154.1	-166.8	26.3	-163.4	-113.5	0	0	0	113.3
232	N	26.3	Very low	29.6	Very low	124 Å²	124	130.5 Å²	130.5	66%	0.663	72%	0.718	S	S	*	*			trans	-78.5	-179.2	-170.1	-74.2	-74.5	0	0	0	117.5
233	L	29.6	Very low	29.3	Very low	148 Å²	148	130.8 Å²	130.8	78%	0.775	73%	0.727	S	S	*	*			trans	96.7	124.2	171.9	-56.5	161.4	0	0	0	113.5
234	Q	24.4	Very low	29	Very low	188 Å²	188	127.2 Å²	127.2	88%	0.879	72%	0.722	S	S	*	*			cis	79.3	105.7	46.9	-169.3	175	0.4	0	0	112.3
235	G	25.7	Very low	28.7	Very low	80 Å²	80	130.2 Å²	130.2	83%	0.825	73%	0.732	S	S	*	*			trans	174.2	93.9	-178	0	0	0	0	0	115
236	T	27.2	Very low	28.6	Very low	139 Å²	139	129 Å²	129	85%	0.853	73%	0.73	S	S	*	*			trans	-92.9	-178.7	162.2	46.8	0	0	0	0	109.8
237	P	50.6	Low	28.4	Very low	97 Å²	97	133 Å²	133	63%	0.63	74%	0.736	S	S	*	*				-141.8	-155.6	-56.5	44.7	-27.1	0	0	0	111.8
238	F	27.9	Very low	28.3	Very low	177 Å²	177	134.3 Å²	134.3	78%	0.776	73%	0.728	S	S	*	*			trans	61.6	177.6	162.3	-82	-127.9	0	0	0	115.3
239	L	28.4	Very low	28.1	Very low	132 Å²	132	135.5 Å²	135.5	69%	0.691	72%	0.723	S	S	*	*			cis	-112.9	163.5	-12.5	-84.4	92.8	0	0	0	108.6
240	D	25.4	Very low	28.1	Very low	120 Å²	120	133.3 Å²	133.3	64%	0.642	72%	0.715	S	S	*	*			cis	86.5	152.2	29.5	-159.7	21.9	0	0	0	115.6
241	H	28.2	Very low	27.9	Very low	142 Å²	142	130.6 Å²	130.6	66%	0.657	71%	0.709	S	S	*	*			trans	74	142.5	-176.4	-51.9	-50.6	0	0	0	118.7
242	G	25.7	Very low	27.8	Very low	62 Å²	62	131.8 Å²	131.8	64%	0.639	71%	0.709	S	S	*	*			cis	147.5	167	-10.9	0	0	0	0	0	115.2
243	L	28.2	Very low	27.8	Very low	171 Å²	171	132.8 Å²	132.8	90%	0.895	71%	0.713	S	S	*	*			trans	66	148.8	173.1	-60.7	122.4	0	0	0	116.9
244	G	24.2	Very low	27.6	Very low	60 Å²	60	131.9 Å²	131.9	62%	0.619	71%	0.714	S	S	*	*			cis	168.1	148.7	-10.4	0	0	0	0	0	114.4
245	E	24.8	Very low	27.6	Very low	171 Å²	171	127.9 Å²	127.9	80%	0.799	71%	0.707	S	S	*	*			trans	62.5	173.1	168.6	-51	-164.7	88.1	0	0	114.4
246	V	26	Very low	28.6	Very low	114 Å²	114	129 Å²	129	69%	0.691	70%	0.699	S	S	*	*			cis	-141	148.5	17.9	170.2	0	0	0	0	111.3
247	K	26.8	Very low	28.4	Very low	165 Å²	165	129.8 Å²	129.8	72%	0.717	70%	0.696	S	S	*	*			trans	-3.4	163.7	149.6	-52.8	163.9	-168.3	164.3	0	119.6
248	K	27.3	Very low	27.2	Very low	140 Å²	140	130.6 Å²	130.6	61%	0.609	71%	0.705	S	S	*	*			cis	178.9	163	-16.9	-95.1	176.7	84.4	-144	0	105.1
249	E	26.5	Very low	27.3	Very low	126 Å²	126	126.6 Å²	126.6	59%	0.589	70%	0.699	S	S	*	*			trans	62.8	170.4	150.4	-73.5	159.3	154.3	0	0	117.3
250	Q	29.3	Very low	27.1	Very low	130 Å²	130	128.6 Å²	128.6	61%	0.607	70%	0.704	S	S	*	*			cis	-142.4	129.7	-19.6	-119.5	141.2	7.7	0	0	106.2
251	T	26.2	Very low	27.2	Very low	101 Å²	101	129.2 Å²	129.2	62%	0.62	71%	0.712	S	S	*	*				87.2	159.6	75.2	-53	0	0	0	0	113.5
252	Y	26.1	Very low	27.2	Very low	180 Å²	180	131.7 Å²	131.7	71%	0.706	72%	0.721	S	S	*	*			trans	84	124.5	178.3	-53	-78.3	0	0	0	114.8
253	L	24.9	Very low	27.4	Very low	145 Å²	145	138.3 Å²	138.3	76%	0.759	73%	0.732	S	S	*	*			cis	75.4	136.8	46.5	-67.4	158.3	0	0	0	111.7
254	V	24.9	Very low	27.4	Very low	129 Å²	129	134.9 Å²	134.9	78%	0.782	72%	0.718	S	S	*	*			cis	-136.5	162.8	9	-164	0	0	0	0	110.4
255	S	26.1	Very low	27.7	Very low	105 Å²	105	140 Å²	140	73%	0.734	73%	0.726	S	S	*	*			trans	-70.3	-152.7	158.1	-37.8	0	0	0	0	111
256	P	44.9	Very low	27.8	Very low	103 Å²	103	138.3 Å²	138.3	67%	0.669	73%	0.727	S	S	*	*			cis	-140.2	-162.7	-16.5	25.5	1.6	0	0	0	114.5
257	I	24.3	Very low	27.9	Very low	155 Å²	155	136.3 Å²	136.3	80%	0.795	73%	0.73	S	S	*	*			trans	81.5	129.4	152.4	-26.8	-175.6	0	0	0	120.5
258	S	24.2	Very low	27.8	Very low	115 Å²	115	133.6 Å²	133.6	80%	0.804	73%	0.732	S	S	*	*			trans	99.8	160.7	142.6	-136	0	0	0	0	120.1
259	S	30	Very low	27.7	Very low	93 Å²	93	134.6 Å²	134.6	65%	0.65	74%	0.743	S	S	*	*			trans	-114.7	-176.4	-161.1	56.8	0	0	0	0	113
260	H	25	Very low	27.7	Very low	173 Å²	173	137.7 Å²	137.7	80%	0.801	75%	0.754	S	S	*	*			trans	100.7	136.2	151.6	-103.6	-86.7	0	0	0	121.2
261	V	26.8	Very low	28.3	Very low	134 Å²	134	136.4 Å²	136.4	81%	0.812	76%	0.757	S	S	*	*			trans	86.3	137.5	160.7	-177.7	0	0	0	0	119.3
262	K	29.8	Very low	28.2	Very low	194 Å²	194	138.5 Å²	138.5	84%	0.843	77%	0.765	S	S	*	*			trans	-85.4	160.2	-174.9	-47.6	161.8	179.1	173.9	0	112.2
263	K	29.2	Very low	28.2	Very low	200 Å²	200	134.3 Å²	134.3	87%	0.87	76%	0.762	S	S	*	*			trans	171.6	152.1	133.8	-99.2	-171.3	177	-173.7	0	110.2
264	V	28.7	Very low	28.2	Very low	100 Å²	100	136.2 Å²	136.2	61%	0.606	76%	0.764	S	S	*	*			cis	-163.6	149.9	-17	86.5	0	0	0	0	110.8
265	E	29.8	Very low	28.1	Very low	168 Å²	168	135.8 Å²	135.8	79%	0.785	76%	0.762	S	S	*	*			trans	50.8	168.9	157.4	-70.7	155.5	139.3	0	0	119.7
266	T	27.7	Very low	28.1	Very low	134 Å²	134	136.8 Å²	136.8	82%	0.822	76%	0.763	S	S	*	*			cis	-142.8	125.4	11.8	-35.7	0	0	0	0	109.3
267	G	26.6	Very low	27.1	Very low	72 Å²	72	137.2 Å²	137.2	74%	0.742	76%	0.76	S	S	*	*				99	141.7	100.5	0	0	0	0	0	112.8
268	S	26.2	Very low	27.2	Very low	109 Å²	109	137.5 Å²	137.5	76%	0.762	76%	0.756	S	S	*	*			cis	-158.6	157	4.4	-152.1	0	0	0	0	113.3
269	L	24.9	Very low	27.2	Very low	161 Å²	161	138.5 Å²	138.5	84%	0.843	75%	0.747	S	S	*	*			trans	64.1	119.7	156.1	-67.6	162.5	0	0	0	123.6
270	K	27	Very low	27.1	Very low	191 Å²	191	141.8 Å²	141.8	83%	0.83	75%	0.75	S	S	*	*			trans	-91.3	-172.1	133.9	-66.8	-175.9	173.3	-179.7	0	107.9
271	P	41.9	Very low	27.4	Very low	103 Å²	103	141.3 Å²	141.3	67%	0.669	75%	0.748	S	S	*	*			cis	-147.1	-168.7	6.5	44.5	-22.9	0	0	0	117.6
272	N	23	Very low	27.5	Very low	144 Å²	144	142.1 Å²	142.1	77%	0.77	74%	0.743	S	S	*	*			trans	59	120.5	143.8	-71	-0	0	0	0	124.7
273	S	26.5	Very low	27.4	Very low	93 Å²	93	139.1 Å²	139.1	65%	0.65	74%	0.74	S	S	*	*			trans	-4.8	137.7	130.2	62.1	0	0	0	0	120.6
274	K	24.5	Very low	27.4	Very low	184 Å²	184	135.8 Å²	135.8	80%	0.8	73%	0.728	S	S	*	*				165.7	128.8	108.7	-95.4	-174.4	178.5	-178.1	0	114.4
275	T	23.3	Very low	27.7	Very low	121 Å²	121	137.7 Å²	137.7	74%	0.742	73%	0.73	S	S	*	*			trans	52.1	126	141.5	56.2	0	0	0	0	124
276	V	25.4	Very low	27.6	Very low	126 Å²	126	135 Å²	135	76%	0.764	72%	0.721	S	S	*	*				102	141.5	121.9	159.6	0	0	0	0	121.3
277	D	24.9	Very low	27.6	Very low	112 Å²	112	134.6 Å²	134.6	60%	0.599	71%	0.713	S	S	*	*			trans	90	117.5	156	-91.5	-5.6	0	0	0	123.6
278	K	25.2	Very low	27.6	Very low	161 Å²	161	138.9 Å²	138.9	70%	0.7	71%	0.711	S	S	*	*			trans	62.5	155.3	134.2	-63.4	175.6	-178.8	79.1	0	118.4
279	E	26	Very low	27.5	Very low	135 Å²	135	140.3 Å²	140.3	63%	0.631	71%	0.71	S	S	*	*			cis	-154	149	15.2	-147	-179.6	128.5	0	0	114.8
280	K	27.6	Very low	27.5	Very low	163 Å²	163	137.4 Å²	137.4	71%	0.709	70%	0.703	S	S	*	*			trans	60.1	155.7	146.2	-94.2	177.6	-157.9	146.4	0	125.1
281	Q	30	Very low	27.5	Very low	163 Å²	163	135.8 Å²	135.8	76%	0.762	70%	0.702	S	S	*	*			trans	65.5	108.3	160.2	-73.8	167.8	-20.8	0	0	118.1
282	Q	29.7	Very low	26.9	Very low	151 Å²	151	140.3 Å²	140.3	71%	0.706	71%	0.711	S	S	*	*			cis	91.9	117	36.5	-177.3	-174.3	-0.1	0	0	113.3
283	V	27.1	Very low	27	Very low	130 Å²	130	140.4 Å²	140.4	79%	0.788	72%	0.717	S	S	*	*				-160.4	114.2	127.1	138.5	0	0	0	0	109.5
284	H	30.4	Very low	27.5	Very low	130 Å²	130	145.4 Å²	145.4	60%	0.602	73%	0.727	S	S	*	*			trans	49.9	137.8	140.6	-67.1	-136.5	0	0	0	120.2
285	Q	34.1	Very low	28.2	Very low	140 Å²	140	147.4 Å²	147.4	65%	0.654	73%	0.73	S	S	*	*			cis	-163.5	152.5	4.4	-126.2	-178.2	8.4	0	0	114.7
286	N	27.2	Very low	29.2	Very low	111 Å²	111	147.8 Å²	147.8	59%	0.594	73%	0.731	S	S	*	*			trans	59	118.6	137.4	-74.8	-6.7	0	0	0	121.5
287	I	28	Very low	29.9	Very low	127 Å²	127	147.3 Å²	147.3	65%	0.651	73%	0.734	S	S	*	*				104.9	136.3	85.9	-82.2	177.5	0	0	0	109.7
288	K	27.5	Very low	30.2	Very low	161 Å²	161	150.7 Å²	150.7	70%	0.7	75%	0.746	S	S	*	*			cis	-157	159.7	-10.7	-116.4	172.9	-165.4	170.9	0	109.9
289	N	23.9	Very low	31.6	Very low	139 Å²	139	148.5 Å²	148.5	74%	0.743	75%	0.748	S	S	*	*				4.4	145.8	124.9	-50.4	12.4	0	0	0	116.8
290	S	23.9	Very low	31.8	Very low	100 Å²	100	147.7 Å²	147.7	70%	0.699	76%	0.758	S	S	*	*			cis	172.2	165.7	-2.1	50.2	0	0	0	0	108.2
291	I	26.6	Very low	31.8	Very low	158 Å²	158	148.8 Å²	148.8	81%	0.81	77%	0.765	S	S	*	*				-176	151.2	125.8	-97.2	153.9	0	0	0	110.6
292	K	30.6	Very low	31.8	Very low	197 Å²	197	145.9 Å²	145.9	86%	0.857	76%	0.763	S	S	*	*			trans	-90.6	139.5	170.9	-65.1	171.6	177.5	171.7	0	110.4
293	T	25.4	Very low	31.7	Very low	147 Å²	147	146.9 Å²	146.9	90%	0.902	77%	0.768	S	S	*	*			trans	-157.4	177.4	139.1	9.1	0	0	0	0	111.5
294	K	36.7	Very low	31.7	Very low	198 Å²	198	146.3 Å²	146.3	86%	0.861	77%	0.765	S	S	*	*			trans	-120.1	149.3	-165.2	-126.1	179.3	-176.8	178.1	0	111.6
295	R	39.8	Very low	31.5	Very low	225 Å²	225	146.6 Å²	146.6	85%	0.849	77%	0.771	S	S	*	*			trans	82.3	111.2	154.8	-76.6	-169.9	162.1	-173.7	-4.6	121.9
296	V	43.7	Very low	31.1	Very low	129 Å²	129	147 Å²	147	78%	0.782	78%	0.776	S	S	*	*				82.1	143.1	128.2	-176	0	0	0	0	119.6
297	S	40.2	Very low	31	Very low	116 Å²	116	146.4 Å²	146.4	81%	0.811	79%	0.787	S	S	*	*			trans	103.6	150.8	166.4	-54.5	0	0	0	0	119
298	Q	31.3	Very low	31.1	Very low	184 Å²	184	147.3 Å²	147.3	86%	0.86	79%	0.793	S	S	*	*			trans	-87.9	-164.4	175.1	-63.8	177.1	-79.5	0	0	111.6
299	P	53.1	Low	31.2	Very low	115 Å²	115	146.8 Å²	146.8	75%	0.747	79%	0.793	S	S	*	*				-130.9	179.5	-60.4	36.2	-20.4	0	0	0	113.3
300	S	30.9	Very low	31.9	Very low	118 Å²	118	145.4 Å²	145.4	83%	0.825	79%	0.791	S	S	*	*			trans	-179.5	179.6	143.8	62.7	0	0	0	0	114.2
301	E	28	Very low	32.1	Very low	185 Å²	185	148.2 Å²	148.2	86%	0.864	79%	0.794	S	S	*	*			trans	-84.5	-170.2	-176.5	-61.4	142.3	146.5	0	0	112.9
302	S	29	Very low	32.3	Very low	102 Å²	102	146.7 Å²	146.7	71%	0.713	79%	0.787	S	S	*	*			cis	-167.1	161.3	23.7	56.1	0	0	0	0	115.7
303	E	28.9	Very low	32.3	Very low	173 Å²	173	144.1 Å²	144.1	81%	0.808	78%	0.783	S	S	*	*			trans	67	132.2	145.8	-81.6	-172.8	-171.5	0	0	125.4
304	T	27.2	Very low	32.7	Very low	118 Å²	118	143.3 Å²	143.3	72%	0.724	78%	0.777	S	S	*	*				74.2	132.8	129.9	-58	0	0	0	0	119.8
305	D	24.8	Very low	32.7	Very low	136 Å²	136	142.1 Å²	142.1	73%	0.727	77%	0.772	S	S	*	*			cis	-162.8	-179.8	0.4	-144.5	-19.6	0	0	0	115.1
306	L	26.2	Very low	32.7	Very low	148 Å²	148	137.3 Å²	137.3	78%	0.775	77%	0.773	S	S	*	*			trans	59.1	107.6	152.2	-71.8	177	0	0	0	124.3
307	A	25.6	Very low	32.9	Very low	98 Å²	98	140.6 Å²	140.6	81%	0.81	78%	0.777	S	S	*	*			trans	72.4	112.8	132	0	0	0	0	0	124
308	D	29.1	Very low	33.3	Very low	146 Å²	146	146.7 Å²	146.7	78%	0.781	78%	0.782	S	S	*	*			trans	-78.8	165.2	159.8	-77.8	-52.3	0	0	0	112.6
309	Q	30.3	Very low	34.4	Very low	150 Å²	150	142.6 Å²	142.6	70%	0.701	77%	0.769	S	S	*	*				-175.1	157.4	70.8	-96.7	-62.5	-45.8	0	0	108.4	E311	Q309-E311 VanDerWaalsContact OE1-N 3.17Å
310	P	38.5	Very low	35.2	Very low	110 Å²	110	140.1 Å²	140.1	71%	0.714	75%	0.754	S	S	*	*				-151.4	155.5	61.7	40.2	-19.3	0	0	0	119.8
311	E	27.7	Very low	37.3	Very low	159 Å²	159	141 Å²	141	74%	0.743	75%	0.748	S	S	*	*			trans	68.5	153	146.3	-76.5	-149.5	124.7	0	0	120.3	Q309	Q309-E311 VanDerWaalsContact OE1-N 3.17Å
312	N	30.5	Very low	39.2	Very low	126 Å²	126	138.5 Å²	138.5	67%	0.674	74%	0.741	S	S	*	*			cis	-166.4	113.9	-33	-139	-29.8	0	0	0	107.6
313	D	31.5	Very low	41.2	Very low	143 Å²	143	138.9 Å²	138.9	77%	0.765	73%	0.731	S	S	*	*			trans	-154.9	108.7	177.1	-153.2	-0.7	0	0	0	112.7	K315	D313-K315 PolarHBondContact O-N 3.27Å
314	V	34	Very low	43.6	Very low	130 Å²	130	134.6 Å²	134.6	79%	0.788	71%	0.713	S	S	*	*			trans	-86.7	96.5	-163.4	-177.5	0	0	0	0	112.2
315	K	36	Very low	45.7	Very low	174 Å²	174	132.6 Å²	132.6	76%	0.757	70%	0.703	S	S	*	*			trans	-103.1	122.2	163.5	-70.4	170.6	-175	160.2	0	109.8	D313 K317	D313-K315 PolarHBondContact O-N 3.27Å; K315-K317 PolarHBondContact O-N 3.28Å
316	S	40.9	Very low	48.3	Very low	123 Å²	123	133.4 Å²	133.4	86%	0.86	70%	0.703	S	S	*	*			trans	-62.9	101.4	-176.4	-51.4	0	0	0	0	112.6
317	K	46.8	Very low	50.7	Low	198 Å²	198	132 Å²	132	86%	0.861	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-70.7	153.4	162.1	-81	-177.4	174.7	178.6	0	110.1	K315	K315-K317 PolarHBondContact O-N 3.28Å
318	R	49.3	Very low	53.2	Low	245 Å²	245	131.4 Å²	131.4	93%	0.925	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-86.3	117	165.1	-60.8	177.3	-176.8	-179.8	-0.2	106.8
319	V	53.1	Low	55.2	Low	97 Å²	97	127 Å²	127	59%	0.588	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-61.6	138.8	174.7	178.7	0	0	0	0	109	E323	V319-E323 HydrophobicContact CG1-CB 4.25Å; V319-E323 HydrophobicContact CG1-CG 4.27Å
320	S	69.9	Low	57	Low	63 Å²	63	121.4 Å²	121.4	44%	0.441	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-79.4	145.2	176.6	-171.9	0	0	0	0	110.7	L322 E323 L324	S320-L322 PolarHBondContact O-N 2.82Å; S320-E323 PolarHBondContact N-OE2 2.9Å; S320-E323 WeakPolarHBondContact O-CB 3.44Å; S320-E323 PolarHBondContact O-N 2.81Å; S320-E323 VanDerWaalsContact O-N 3.14Å; S320-L324 PolarHBondContact O-N 2.86Å
321	I	75.7	Confident	58.4	Low	136 Å²	136	122.8 Å²	122.8	70%	0.697	64%	0.638	S	S	*	*	H	α-helix	trans	-60.7	-31.3	176.7	-77.3	172.6	0	0	0	111.6	C325	I321-C325 PolarHBondContact O-N 3.49Å; I321-C325 VanDerWaalsContact O-N 3.11Å; I321-C325 PolarHBondContact O-SG 2.92Å
322	L	67.8	Low	60.2	Low	134 Å²	134	120.7 Å²	120.7	70%	0.702	63%	0.63	S	S	*	*	H	α-helix	trans	-69.2	-39.3	176.7	-62.4	174.2	0	0	0	112.5	S320 L324 C325 E326	S320-L322 PolarHBondContact O-N 2.82Å; L322-L324 VanDerWaalsContact C-N 3.34Å; L322-L324 PolarHBondContact O-N 2.64Å; L322-C325 PolarHBondContact O-N 2.69Å; L322-C325 VanDerWaalsContact O-N 3.16Å; L322-E326 PolarHBondContact O-N 3.29Å
323	E	71.9	Confident	61.5	Low	110 Å²	110	122.5 Å²	122.5	51%	0.514	64%	0.635	S	S	.	*	H	α-helix	trans	-61.9	-42.2	177.7	-169.5	175.4	-157	0	0	110.3	V319 S320 E326 E327	V319-E323 HydrophobicContact CG1-CB 4.25Å; V319-E323 HydrophobicContact CG1-CG 4.27Å; S320-E323 PolarHBondContact N-OE2 2.9Å; S320-E323 WeakPolarHBondContact O-CB 3.44Å; S320-E323 PolarHBondContact O-N 2.81Å; S320-E323 VanDerWaalsContact O-N 3.14Å; E323-E326 PolarHBondContact O-N 2.76Å; E323-E327 WeakPolarHBondContact O-CB 3.27Å; E323-E327 PolarHBondContact O-N 3.02Å
324	L	78.8	Confident	62.5	Low	82 Å²	82	120.6 Å²	120.6	43%	0.429	63%	0.633	S	S	.	*	H	α-helix	trans	-68.1	-34.2	173.8	-171.9	69.8	0	0	0	113.1	S320 L322 E326 I328	S320-L324 PolarHBondContact O-N 2.86Å; L322-L324 VanDerWaalsContact C-N 3.34Å; L322-L324 PolarHBondContact O-N 2.64Å; L324-E326 VanDerWaalsContact C-N 3.34Å; L324-I328 HydrophobicContact CG-CD1 4.15Å; L324-I328 WeakPolarHBondContact O-CD1 3.17Å; L324-I328 VanDerWaalsContact O-CG1 3.25Å; L324-I328 WeakPolarHBondContact O-CG1 3.42Å; L324-I328 PolarHBondContact O-N 2.76Å; L324-I328 VanDerWaalsContact O-N 3.11Å
325	C	70.3	Confident	63.2	Low	76 Å²	76	121 Å²	121	51%	0.514	63%	0.63	S	S	.	*	H	α-helix	trans	-69.7	-32.9	174.8	-72.3	0	0	0	0	112.5	I321 L322 A329	I321-C325 PolarHBondContact O-N 3.49Å; I321-C325 VanDerWaalsContact O-N 3.11Å; I321-C325 PolarHBondContact O-SG 2.92Å; L322-C325 PolarHBondContact O-N 2.69Å; L322-C325 VanDerWaalsContact O-N 3.16Å; C325-A329 WeakPolarHBondContact O-CB 3.49Å; C325-A329 PolarHBondContact O-N 3.29Å; C325-A329 VanDerWaalsContact O-N 3.13Å
326	E	79.9	Confident	63.9	Low	154 Å²	154	118 Å²	118	72%	0.72	63%	0.627	S	S	*	*	H	α-helix	trans	-75.2	-39.5	177.4	-162.5	160.2	-140.3	0	0	111.2	L322 E323 L324 A329 G330	L322-E326 PolarHBondContact O-N 3.29Å; E323-E326 PolarHBondContact O-N 2.76Å; L324-E326 VanDerWaalsContact C-N 3.34Å; E326-A329 PolarHBondContact O-N 3.27Å; E326-G330 PolarHBondContact O-N 2.82Å
327	E	78	Confident	63.9	Low	119 Å²	119	118.1 Å²	118.1	56%	0.556	62%	0.622	S	S	*	*	H	α-helix	trans	-57.7	-49.4	170.5	-174.1	173.4	-150.3	0	0	111.9	E323 A329 G330 E331	E323-E327 WeakPolarHBondContact O-CB 3.27Å; E323-E327 PolarHBondContact O-N 3.02Å; E327-A329 VanDerWaalsContact C-N 3.32Å; E327-A329 PolarHBondContact O-N 3.15Å; E327-G330 PolarHBondContact O-N 2.88Å; E327-E331 PolarHBondContact O-N 2.95Å
328	I	77.7	Confident	63.5	Low	85 Å²	85	116.4 Å²	116.4	44%	0.436	62%	0.617	S	S	.	*	H	α-helix	trans	-64.8	-34.5	177.9	-68.6	166.4	0	0	0	111.9	L324 I332	L324-I328 HydrophobicContact CG-CD1 4.15Å; L324-I328 WeakPolarHBondContact O-CD1 3.17Å; L324-I328 VanDerWaalsContact O-CG1 3.25Å; L324-I328 WeakPolarHBondContact O-CG1 3.42Å; L324-I328 PolarHBondContact O-N 2.76Å; L324-I328 VanDerWaalsContact O-N 3.11Å; I328-I332 HydrophobicContact CG2-CD1 4.08Å; I328-I332 WeakPolarHBondContact O-CD1 3.41Å; I328-I332 VanDerWaalsContact O-CG1 3.3Å; I328-I332 WeakPolarHBondContact O-CG1 3.46Å; I328-I332 PolarHBondContact O-N 2.59Å
329	A	71.3	Confident	62.8	Low	53 Å²	53	110.9 Å²	110.9	44%	0.438	61%	0.61	S	S	.	*	H	α-helix	trans	-65.8	-42.5	175	0	0	0	0	0	111.7	C325 E326 E327 I332 E333	C325-A329 WeakPolarHBondContact O-CB 3.49Å; C325-A329 PolarHBondContact O-N 3.29Å; C325-A329 VanDerWaalsContact O-N 3.13Å; E326-A329 PolarHBondContact O-N 3.27Å; E327-A329 VanDerWaalsContact C-N 3.32Å; E327-A329 PolarHBondContact O-N 3.15Å; A329-I332 PolarHBondContact O-N 3.05Å; A329-E333 PolarHBondContact O-N 3.14Å; A329-E333 VanDerWaalsContact O-N 3.17Å
330	G	68.1	Low	61.9	Low	33 Å²	33	114.3 Å²	114.3	34%	0.34	62%	0.617	S	S	.	*	H	α-helix	trans	-65.5	-36.6	176.8	0	0	0	0	0	114	E326 E327 I332 S334	E326-G330 PolarHBondContact O-N 2.82Å; E327-G330 PolarHBondContact O-N 2.88Å; G330-I332 VanDerWaalsContact C-N 3.31Å; G330-I332 PolarHBondContact O-N 3.04Å; G330-S334 WeakPolarHBondContact O-CB 3.49Å; G330-S334 PolarHBondContact O-N 2.88Å; G330-S334 VanDerWaalsContact O-N 3.15Å; G330-S334 PolarHBondContact O-OG 2.8Å
331	E	66.8	Low	60.1	Low	138 Å²	138	120.7 Å²	120.7	65%	0.645	64%	0.637	S	S	*	*	H	α-helix	trans	-62.8	-37.4	172.6	-73.8	-163.3	133.6	0	0	112	E327 S334 D335	E327-E331 PolarHBondContact O-N 2.95Å; E331-S334 PolarHBondContact O-N 3.22Å; E331-D335 PolarHBondContact O-N 3.32Å
332	I	66.4	Low	57.8	Low	115 Å²	115	121.7 Å²	121.7	59%	0.59	64%	0.644	S	S	*	*	H	α-helix	trans	-70.8	-39.1	-179.8	-66	164.7	0	0	0	112	I328 A329 G330 S334	I328-I332 HydrophobicContact CG2-CD1 4.08Å; I328-I332 WeakPolarHBondContact O-CD1 3.41Å; I328-I332 VanDerWaalsContact O-CG1 3.3Å; I328-I332 WeakPolarHBondContact O-CG1 3.46Å; I328-I332 PolarHBondContact O-N 2.59Å; A329-I332 PolarHBondContact O-N 3.05Å; G330-I332 VanDerWaalsContact C-N 3.31Å; G330-I332 PolarHBondContact O-N 3.04Å; I332-S334 PolarHBondContact O-N 3.45Å
333	E	56.3	Low	56.3	Low	165 Å²	165	120.5 Å²	120.5	77%	0.771	65%	0.647	S	S	*	*	H	α-helix	trans	-67.9	-23.3	171.8	-77.8	-167	144.6	0	0	112.8	A329	A329-E333 PolarHBondContact O-N 3.14Å; A329-E333 VanDerWaalsContact O-N 3.17Å
334	S	52.6	Low	55.2	Low	103 Å²	103	120.9 Å²	120.9	72%	0.72	66%	0.659	S	S	*	*	H	α-helix	trans	-80.1	-22.7	-177	-62.5	0	0	0	0	114.6	G330 E331 I332	G330-S334 WeakPolarHBondContact O-CB 3.49Å; G330-S334 PolarHBondContact O-N 2.88Å; G330-S334 VanDerWaalsContact O-N 3.15Å; G330-S334 PolarHBondContact O-OG 2.8Å; E331-S334 PolarHBondContact O-N 3.22Å; I332-S334 PolarHBondContact O-N 3.45Å
335	D	49.8	Very low	52.6	Low	138 Å²	138	124.3 Å²	124.3	74%	0.738	68%	0.678	S	S	*	*	S	Bend	trans	-102.3	4.2	-171.6	-153.9	35.6	0	0	0	113.9	E331 V337	E331-D335 PolarHBondContact O-N 3.32Å; D335-V337 PolarHBondContact O-N 3.35Å
336	T	51.1	Low	50.7	Low	110 Å²	110	124.2 Å²	124.2	68%	0.675	68%	0.682	S	S	*	*			trans	-79.7	98.6	177.2	56.2	0	0	0	0	112.5	E338	T336-E338 PolarHBondContact O-N 3.13Å
337	V	41.2	Very low	48.2	Very low	126 Å²	126	125.3 Å²	125.3	76%	0.764	69%	0.687	S	S	*	*			trans	-67.9	121.8	178.5	179.3	0	0	0	0	112.5	D335 V339	D335-V337 PolarHBondContact O-N 3.35Å; V337-V339 PolarHBondContact O-N 3.19Å
338	E	38.1	Very low	45.7	Very low	163 Å²	163	128.7 Å²	128.7	76%	0.762	70%	0.696	S	S	*	*			trans	-61.5	126.5	173.1	-68.6	-168.3	165.5	0	0	112.7	T336	T336-E338 PolarHBondContact O-N 3.13Å
339	V	35	Very low	43.3	Very low	129 Å²	129	134 Å²	134	78%	0.782	71%	0.711	S	S	*	*			trans	-112.9	100	165.2	-179.8	0	0	0	0	109	V337	V337-V339 PolarHBondContact O-N 3.19Å
340	K	33.5	Very low	41.2	Very low	168 Å²	168	140.2 Å²	140.2	73%	0.73	73%	0.728	S	S	*	*			trans	-59.6	139.2	178.8	-70.4	-171.3	175.8	-174.3	0	112.1
341	K	31.7	Very low	39.2	Very low	197 Å²	197	143.5 Å²	143.5	86%	0.857	74%	0.742	S	S	*	*			trans	-145	93.9	174.5	-128.9	-176.9	-175.6	-178.5	0	109.8
342	D	26.8	Very low	37.3	Very low	157 Å²	157	144.9 Å²	144.9	84%	0.84	75%	0.748	S	S	*	*			trans	-69.4	142.6	175.8	-63.7	-65.4	0	0	0	111.1
343	S	36.7	Very low	35.4	Very low	109 Å²	109	146.1 Å²	146.1	76%	0.762	75%	0.752	S	S	*	*			trans	-112.8	164.7	173.3	-52.2	0	0	0	0	108.3
344	P	48.3	Very low	34	Very low	119 Å²	119	145.1 Å²	145.1	77%	0.773	75%	0.745	S	S	*	*				-151.3	-167.9	74.1	46.5	-27	0	0	0	112.2
345	N	26	Very low	32.6	Very low	154 Å²	154	152 Å²	152	82%	0.824	76%	0.755	S	S	*	*			cis	-153.9	176.9	-2.3	-149.8	-9.7	0	0	0	111.3
346	A	29.1	Very low	31.3	Very low	73 Å²	73	148.8 Å²	148.8	60%	0.603	76%	0.755	S	S	*	*			trans	70.1	106.4	153.3	0	0	0	0	0	120.3
347	E	27.2	Very low	30	Very low	178 Å²	178	152.5 Å²	152.5	83%	0.832	76%	0.764	S	S	*	*				32.1	144.7	109.7	-57.2	-170.6	139.9	0	0	120.4
348	Y	25.1	Very low	29.4	Very low	190 Å²	190	152.2 Å²	152.2	75%	0.745	76%	0.763	S	S	*	*			cis	-147.2	-170.2	13.6	-158	-110.6	0	0	0	113
349	R	27.3	Very low	28.7	Very low	195 Å²	195	153 Å²	153	74%	0.736	77%	0.766	S	S	*	*			trans	-85	150.3	-169.6	-58.4	174.7	163.7	-178.5	-1.7	116
350	K	27.2	Very low	28.1	Very low	185 Å²	185	152.8 Å²	152.8	80%	0.804	76%	0.76	S	S	*	*				55.9	123.3	128.9	-75	-160.3	174.2	-165.1	0	120.4
351	T	26.6	Very low	27.8	Very low	102 Å²	102	152.1 Å²	152.1	63%	0.626	76%	0.76	S	S	*	*				80.7	129.4	91.7	-62.1	0	0	0	0	113.6
352	E	27.6	Very low	27.7	Very low	166 Å²	166	149.4 Å²	149.4	78%	0.776	75%	0.75	S	S	*	*			cis	-136.1	-137.2	-5	-144.3	86.9	-62.2	0	0	108.8
353	E	26.3	Very low	27.9	Very low	142 Å²	142	147.4 Å²	147.4	66%	0.664	74%	0.739	S	S	*	*			cis	-159.4	175.4	4.5	-149.5	-145.8	129	0	0	110.6
354	K	27.8	Very low	27.6	Very low	144 Å²	144	149.8 Å²	149.8	63%	0.626	74%	0.738	S	S	*	*			trans	64.2	117.5	163.4	-66.6	-173	171	55.4	0	121.5
355	R	22.9	Very low	26.5	Very low	246 Å²	246	150.6 Å²	150.6	93%	0.928	74%	0.741	S	S	*	*			trans	53.1	138.3	131.8	-65.9	-175.3	171.3	-132.4	0.8	121.1
356	G	22.9	Very low	26.5	Very low	72 Å²	72	149.6 Å²	149.6	74%	0.742	74%	0.735	S	S	*	*			trans	145	82	136.6	0	0	0	0	0	118.3
357	E	23.9	Very low	26.8	Very low	187 Å²	187	152.1 Å²	152.1	87%	0.874	75%	0.745	S	S	*	*			trans	37.8	111	131.3	-158.1	153	-156.3	0	0	121.6
358	V	26.9	Very low	26.8	Very low	121 Å²	121	151.2 Å²	151.2	73%	0.733	74%	0.741	S	S	*	*			trans	38.7	120.9	135.8	-174.7	0	0	0	0	120
359	Q	24.4	Very low	26.7	Very low	178 Å²	178	151.8 Å²	151.8	83%	0.832	75%	0.747	S	S	*	*				-172.3	174	100.9	-156.5	141.7	2.4	0	0	113.9
360	L	22.6	Very low	26.6	Very low	125 Å²	125	150.9 Å²	150.9	65%	0.654	75%	0.751	S	S	*	*			trans	-64.9	151.4	-176.5	-76.6	84.7	0	0	0	114.1
361	Q	26.2	Very low	27.6	Very low	154 Å²	154	147 Å²	147	72%	0.72	75%	0.745	S	S	*	*				50.5	152	104.6	-44.7	-170.8	-7.1	0	0	116.6
362	Q	30.9	Very low	27.5	Very low	141 Å²	141	148 Å²	148	66%	0.659	76%	0.756	S	S	*	*			cis	-170.3	178.5	33.9	-147.4	176.2	59.5	0	0	112.2
363	N	29.7	Very low	27.6	Very low	115 Å²	115	148.7 Å²	148.7	62%	0.615	76%	0.759	S	S	*	*			trans	71.9	151.2	154.4	-63	-18.7	0	0	0	119.5
364	E	30.8	Very low	27.6	Very low	159 Å²	159	147.2 Å²	147.2	74%	0.743	77%	0.765	S	S	*	*			cis	-156.5	177.3	-9.1	-116.4	173.2	112.6	0	0	108.5
365	V	25.5	Very low	27.7	Very low	135 Å²	135	146 Å²	146	82%	0.818	77%	0.769	S	S	*	*			cis	-145.6	163.6	33.9	-179.6	0	0	0	0	111.4
366	L	25.8	Very low	28.2	Very low	133 Å²	133	141.8 Å²	141.8	70%	0.696	76%	0.76	S	S	*	*			trans	-76.4	177.2	-180	-136.7	76.6	0	0	0	114.9	Q368	L366-Q368 HydrophobicContact CD2-CG 3.97Å
367	P	35.9	Very low	29	Very low	126 Å²	126	144.6 Å²	144.6	82%	0.818	77%	0.767	S	S	*	*				-146.8	140.6	67.1	36.5	-14.9	0	0	0	119.9
368	Q	26.3	Very low	29.6	Very low	160 Å²	160	143.9 Å²	143.9	75%	0.748	76%	0.761	S	S	*	*			trans	11.6	136.1	151.3	-58.2	-169	-9.6	0	0	123.7	L366	L366-Q368 HydrophobicContact CD2-CG 3.97Å
369	K	23.6	Very low	30	Very low	201 Å²	201	148.4 Å²	148.4	87%	0.874	77%	0.765	S	S	*	*				-169.3	162.5	92.8	-112.3	-179.7	179.5	175.9	0	114.1
370	E	24.5	Very low	30.1	Very low	176 Å²	176	147.9 Å²	147.9	82%	0.822	76%	0.76	S	S	*	*			trans	-142.1	-169	-179.2	-149.6	-151.9	-153.7	0	0	110.7
371	P	47.7	Very low	30.7	Very low	104 Å²	104	150.8 Å²	150.8	68%	0.675	77%	0.768	S	S	*	*				-99.1	174.5	-96.4	36.1	-23.4	0	0	0	115.3
372	S	26.3	Very low	31.6	Very low	124 Å²	124	148.6 Å²	148.6	87%	0.867	77%	0.768	S	S	*	*			trans	-151	169.6	157.6	57.9	0	0	0	0	112
373	Q	29.2	Very low	31.7	Very low	179 Å²	179	146.8 Å²	146.8	84%	0.836	77%	0.77	S	S	*	*			trans	-110.4	161.6	-158.3	-59.6	171.9	-8	0	0	114
374	S	24.9	Very low	32.3	Very low	112 Å²	112	150.3 Å²	150.3	78%	0.783	78%	0.78	S	S	*	*			trans	70.8	163.9	163.9	81	0	0	0	0	116.3
375	T	30.6	Very low	32.6	Very low	117 Å²	117	151.4 Å²	151.4	72%	0.718	78%	0.783	S	S	*	*			cis	-145.9	157.3	8.2	-25	0	0	0	0	112.8
376	Q	34.7	Very low	33.3	Very low	158 Å²	158	149 Å²	149	74%	0.738	78%	0.784	S	S	*	*			trans	59.7	87.4	141.7	-168.2	170.3	-25	0	0	120.3
377	C	38.2	Very low	33.8	Very low	132 Å²	132	150.4 Å²	150.4	89%	0.892	79%	0.789	S	S	*	*			trans	-103.5	96.6	147.9	-179.7	0	0	0	0	110.2
378	K	36.6	Very low	33.9	Very low	172 Å²	172	149.8 Å²	149.8	75%	0.748	79%	0.786	S	S	*	*			trans	-158.2	154.7	169.5	-65	-166.3	178.6	179.2	0	112.1
379	R	35.4	Very low	34.4	Very low	215 Å²	215	149 Å²	149	81%	0.811	79%	0.791	S	S	*	*			trans	83.1	137.5	161.9	-57.5	-171.3	164.9	155.7	-3.3	116.6
380	F	26.4	Very low	34.7	Very low	167 Å²	167	148 Å²	148	73%	0.732	79%	0.787	S	S	*	*			cis	-151.5	164.8	-10.9	-126.7	-71.1	0	0	0	111.6
381	F	35.8	Very low	35.1	Very low	186 Å²	186	145.5 Å²	145.5	82%	0.816	79%	0.787	S	S	*	*			trans	-64.7	-172.6	174.1	-59.9	-95.5	0	0	0	114.1
382	P	44.8	Very low	34.5	Very low	109 Å²	109	146.4 Å²	146.4	71%	0.708	79%	0.791	S	S	*	*			cis	-142.8	160.6	0.6	35.1	-12.8	0	0	0	120
383	S	32.4	Very low	35.1	Very low	103 Å²	103	148.6 Å²	148.6	72%	0.72	79%	0.792	S	S	*	*			trans	49.5	133.2	135.4	-169.1	0	0	0	0	123.5
384	K	41.9	Very low	35.2	Very low	188 Å²	188	148.2 Å²	148.2	82%	0.817	80%	0.796	S	S	*	*				-172.3	134.6	119.6	-98.4	146.5	-167.4	167.3	0	115.7
385	K	38.1	Very low	35.4	Very low	183 Å²	183	146 Å²	146	80%	0.796	79%	0.792	S	S	*	*			trans	44	115.2	143.7	-59.7	-179.9	178.1	-175.9	0	120.4
386	G	39.3	Very low	35.5	Very low	83 Å²	83	151.3 Å²	151.3	86%	0.856	80%	0.798	S	S	*	*			trans	-82.3	140.9	145.1	0	0	0	0	0	111
387	M	36.2	Very low	35.2	Very low	163 Å²	163	150.9 Å²	150.9	80%	0.803	80%	0.801	S	S	*	*			trans	-111.6	148.4	176.2	-86	-178.9	56.7	0	0	111.9
388	P	39.6	Very low	34.7	Very low	114 Å²	114	150.6 Å²	150.6	74%	0.74	80%	0.801	S	S	*	*			trans	-78.9	134.8	176.7	32.1	-33.9	0	0	0	111.8
389	V	35.5	Very low	34.4	Very low	142 Å²	142	147.7 Å²	147.7	86%	0.861	80%	0.802	S	S	*	*			trans	-83	120.7	169.8	-179.3	0	0	0	0	109.3
390	K	31.3	Very low	34.4	Very low	182 Å²	182	142.9 Å²	142.9	79%	0.791	80%	0.801	S	S	*	*			trans	-102.3	101.1	-170.9	-173.9	178.5	-176.3	178.1	0	110.2	T392	K390-T392 PolarHBondContact O-N 2.86Å
391	C	32	Very low	34.7	Very low	122 Å²	122	141.7 Å²	141.7	82%	0.824	80%	0.803	S	S	*	*			trans	-65.4	105.4	176.1	-67.7	0	0	0	0	111.3	L393	C391-L393 PolarHBondContact O-N 2.87Å
392	T	34.5	Very low	35	Very low	124 Å²	124	140.8 Å²	140.8	76%	0.761	80%	0.798	S	S	*	*			trans	-86.9	105.9	178.7	48.8	0	0	0	0	111.4	K390	K390-T392 PolarHBondContact O-N 2.86Å
393	L	39.5	Very low	34.7	Very low	169 Å²	169	142.9 Å²	142.9	89%	0.885	80%	0.804	S	S	*	*			trans	-106.2	94.4	171.7	-107	169.3	0	0	0	110.9	C391	C391-L393 PolarHBondContact O-N 2.87Å
394	N	31.2	Very low	35.2	Very low	171 Å²	171	143.4 Å²	143.4	91%	0.914	81%	0.807	S	S	*	*			trans	-163.4	134.9	167.5	-86.8	-38.6	0	0	0	106.9
395	G	29.3	Very low	35.2	Very low	67 Å²	67	144.5 Å²	144.5	69%	0.691	81%	0.812	S	S	*	*			cis	166	133.1	-10.9	0	0	0	0	0	112.5
396	R	31.6	Very low	34.9	Very low	228 Å²	228	146.5 Å²	146.5	86%	0.86	82%	0.815	S	S	*	*			trans	77.4	106.3	163.8	-60.8	162.4	66	134.8	-4.1	120.1
397	N	29.4	Very low	35.2	Very low	148 Å²	148	148.6 Å²	148.6	79%	0.791	81%	0.811	S	S	*	*				58.5	113.5	123.9	-50.9	4.1	0	0	0	121.4
398	S	26.8	Very low	35.2	Very low	127 Å²	127	149.6 Å²	149.6	89%	0.888	81%	0.811	S	S	*	*				-168.5	173.4	111.5	54	0	0	0	0	112.4
399	S	32.1	Very low	35.3	Very low	111 Å²	111	151.3 Å²	151.3	78%	0.776	81%	0.812	S	S	*	*			trans	-90.1	144.2	-166.4	53.8	0	0	0	0	115.9
400	S	33.6	Very low	35.4	Very low	113 Å²	113	154.3 Å²	154.3	79%	0.79	81%	0.814	S	S	*	*				-171.5	117.1	122.5	57.1	0	0	0	0	115.3
401	N	34.3	Very low	36	Very low	143 Å²	143	152.1 Å²	152.1	77%	0.765	81%	0.81	S	S	*	*			trans	64.2	137.4	133.1	-143.5	-5.3	0	0	0	122.8
402	K	40.9	Very low	36.2	Very low	166 Å²	166	153.8 Å²	153.8	72%	0.722	81%	0.808	S	S	*	*			trans	90.5	124.8	157.9	-50.6	-170.1	-180	175.3	0	121.1
403	N	38.4	Very low	36.3	Very low	154 Å²	154	157.9 Å²	157.9	82%	0.824	82%	0.815	S	S	*	*			trans	33.4	107.2	148.3	64.7	-7.8	0	0	0	123.3
404	S	44	Very low	36.3	Very low	114 Å²	114	153.8 Å²	153.8	80%	0.797	81%	0.805	S	S	*	*			trans	-121.2	151.6	145.8	-178	0	0	0	0	110.9	W406	S404-W406 PolarHBondContact O-N 2.96Å
405	K	41	Very low	36.5	Very low	211 Å²	211	152.8 Å²	152.8	92%	0.917	80%	0.8	S	S	*	*	S	Bend	trans	-93.7	8.4	-152.8	-144.4	174.4	-176.8	-178.8	0	115.5
406	W	32.6	Very low	36.8	Very low	225 Å²	225	157.1 Å²	157.1	85%	0.852	81%	0.807	S	S	*	*			trans	-83.5	-31.8	-166.2	-164.4	-117.1	0	0	0	115.1	S404 K408	S404-W406 PolarHBondContact O-N 2.96Å; W406-K408 PolarHBondContact O-N 2.82Å
407	T	45.2	Very low	36.8	Very low	127 Å²	127	152.7 Å²	152.7	78%	0.779	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	4.1	-165.2	-27.1	0	0	0	0	115.5
408	K	35.8	Very low	36.8	Very low	183 Å²	183	155 Å²	155	80%	0.796	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-7.9	-170.3	-127.2	-176.4	-177.6	-172.1	0	116.2	W406	W406-K408 PolarHBondContact O-N 2.82Å
409	I	42.8	Very low	37	Very low	151 Å²	151	156.3 Å²	156.3	77%	0.774	80%	0.8	S	S	*	*	S	Bend	trans	-91.5	-27.6	-176.9	-68.6	169.6	0	0	0	112.6
410	K	37.2	Very low	36.7	Very low	204 Å²	204	156.9 Å²	156.9	89%	0.887	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	4.1	-175.8	-129.4	174.7	-174.7	178.1	0	115.7
411	L	43.5	Very low	36.6	Very low	136 Å²	136	156.9 Å²	156.9	71%	0.712	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.2	8.1	-178.9	-148.5	76.4	0	0	0	114.6
412	M	36	Very low	36.3	Very low	158 Å²	158	157.8 Å²	157.8	78%	0.778	80%	0.799	S	S	*	*	S	Bend	trans	-99.9	-9.3	177.2	-77.7	-79.4	107.5	0	0	114
413	K	37.8	Very low	35.7	Very low	209 Å²	209	156.7 Å²	156.7	91%	0.909	80%	0.801	S	S	*	*	S	Bend	trans	-106.6	11.3	-176.2	-124.3	178.5	-176.6	-178.1	0	114.8
414	A	39.5	Very low	35.1	Very low	83 Å²	83	155.2 Å²	155.2	69%	0.686	80%	0.803	S	S	*	*	S	Bend	trans	-118.1	9.8	-175.9	0	0	0	0	0	114.1
415	N	34.9	Very low	34.2	Very low	151 Å²	151	155 Å²	155	81%	0.807	80%	0.798	S	S	*	*	S	Bend	trans	-139.1	44.5	-168.8	-134.7	33.9	0	0	0	112.1
416	N	35.5	Very low	33.5	Very low	158 Å²	158	152.4 Å²	152.4	85%	0.845	79%	0.794	S	S	*	*			trans	-152	48.4	-177.3	-122.4	-32.1	0	0	0	114.6
417	V	30.9	Very low	33.4	Very low	134 Å²	134	147.8 Å²	147.8	81%	0.812	79%	0.79	S	S	*	*	S	Bend	trans	-144.6	131.1	156.2	-175.4	0	0	0	0	107.8
418	K	30.6	Very low	33	Very low	197 Å²	197	146.9 Å²	146.9	86%	0.857	79%	0.786	S	S	*	*	S	Bend	trans	68	122	-167.7	-46.4	-174.2	-177	-176.9	0	112.2
419	Q	30.4	Very low	32.5	Very low	155 Å²	155	147.3 Å²	147.3	72%	0.724	79%	0.788	S	S	*	*			cis	-141.6	152.4	14.2	-63.1	173.4	-36.9	0	0	111.6	N421	Q419-N421 PolarHBondContact OE1-ND2 2.84Å
420	S	26.3	Very low	31.6	Very low	123 Å²	123	148 Å²	148	86%	0.86	79%	0.792	S	S	*	*			trans	-100.7	137.7	142.5	46.4	0	0	0	0	108
421	N	30.6	Very low	30.9	Very low	112 Å²	112	143.5 Å²	143.5	60%	0.599	79%	0.787	S	S	*	*			trans	-123.1	149	176.9	-73.3	-59.9	0	0	0	109.1	Q419	Q419-N421 PolarHBondContact OE1-ND2 2.84Å
422	L	29.5	Very low	30.1	Very low	162 Å²	162	144.8 Å²	144.8	85%	0.848	79%	0.793	S	S	*	*			trans	-137.3	98.8	154.9	-78.8	-178.9	0	0	0	110.5
423	N	27.2	Very low	29.6	Very low	143 Å²	143	144.1 Å²	144.1	77%	0.765	79%	0.792	S	S	*	*			trans	38	121.4	131.6	-48.6	-9.4	0	0	0	119.3
424	S	25.2	Very low	28.9	Very low	123 Å²	123	142.4 Å²	142.4	86%	0.86	79%	0.785	S	S	*	*				-168.3	161.5	95.2	-162	0	0	0	0	111.5
425	T	26.6	Very low	28.3	Very low	111 Å²	111	143.9 Å²	143.9	68%	0.681	78%	0.781	S	S	*	*			trans	-115.4	135.9	-170.3	-31.8	0	0	0	0	111.2
426	N	26.6	Very low	27.8	Very low	156 Å²	156	142.3 Å²	142.3	83%	0.834	78%	0.781	S	S	*	*				177.1	169.6	120.3	-87.9	-44.2	0	0	0	112.9
427	V	30	Very low	27.3	Very low	127 Å²	127	143.9 Å²	143.9	77%	0.77	78%	0.78	S	S	*	*			trans	-151.4	158.3	-147.5	151.7	0	0	0	0	106.8
428	P	37.2	Very low	26.9	Very low	108 Å²	108	146.8 Å²	146.8	70%	0.701	78%	0.782	S	S	*	*			cis	-143.4	-173.5	28.9	22.9	5.5	0	0	0	119.3
429	K	23.9	Very low	26.6	Very low	193 Å²	193	143.5 Å²	143.5	84%	0.839	78%	0.778	S	S	*	*			trans	87.9	78.6	145.4	-87.4	168.3	-178.7	179.4	0	121.5
430	L	24.4	Very low	26.4	Very low	164 Å²	164	141.1 Å²	141.1	86%	0.859	78%	0.779	S	S	*	*				50.6	113.7	113.7	-169.6	79.5	0	0	0	120.5
431	S	22.8	Very low	26.3	Very low	111 Å²	111	142.7 Å²	142.7	78%	0.776	78%	0.778	S	S	*	*				-170.2	134.1	124.6	36.6	0	0	0	0	115.2
432	L	26.1	Very low	26	Very low	162 Å²	162	143 Å²	143	85%	0.848	78%	0.783	S	S	*	*			trans	37.8	155.9	140.6	-79.5	164.6	0	0	0	125.3
433	L	25.5	Very low	25.8	Very low	144 Å²	144	140.9 Å²	140.9	75%	0.754	78%	0.782	S	S	*	*			trans	72.1	127	171.9	-59.3	169.4	0	0	0	114.6
434	K	23.8	Very low	25.9	Very low	173 Å²	173	142.9 Å²	142.9	75%	0.752	79%	0.787	S	S	*	*				67.5	111.6	57.7	-75.5	-166.7	178.1	-178.9	0	113.3
435	D	26.1	Very low	25.9	Very low	115 Å²	115	144.7 Å²	144.7	62%	0.615	79%	0.785	S	S	*	*				-172.9	155.1	104.5	-84.7	-24.1	0	0	0	108.7	F437	D435-F437 HydrophobicContact CB-CD2 3.93Å; D435-F437 HydrophobicContact CB-CE2 3.61Å; D435-F437 HydrophobicContact CB-CZ 4.46Å
436	C	24.5	Very low	25.9	Very low	118 Å²	118	143.1 Å²	143.1	80%	0.797	78%	0.784	S	S	*	*			cis	71.6	71.6	19.5	-67	0	0	0	0	116.6
437	F	25.6	Very low	26	Very low	191 Å²	191	141.8 Å²	141.8	84%	0.838	78%	0.781	S	S	*	*			trans	-119.5	143.1	157.7	-81	-75.4	0	0	0	113.6	D435	D435-F437 HydrophobicContact CB-CD2 3.93Å; D435-F437 HydrophobicContact CB-CE2 3.61Å; D435-F437 HydrophobicContact CB-CZ 4.46Å
438	K	22.3	Very low	25.9	Very low	194 Å²	194	143.5 Å²	143.5	84%	0.843	78%	0.781	S	S	*	*			trans	-138.2	141.6	-175.2	-178.5	-177.1	176.6	-171.6	0	107.8
439	V	24.6	Very low	25.3	Very low	128 Å²	128	143.4 Å²	143.4	78%	0.776	79%	0.789	S	S	*	*			trans	-29.6	131.4	176.8	-157.4	0	0	0	0	115.5
440	S	24.9	Very low	25.5	Very low	106 Å²	106	142.8 Å²	142.8	74%	0.741	79%	0.789	S	S	*	*				162.4	108.6	116.6	-81	0	0	0	0	115.1
441	D	24.4	Very low	25.6	Very low	156 Å²	156	141.8 Å²	141.8	83%	0.834	78%	0.784	S	S	*	*				50.6	160	114.8	-146.6	4	0	0	0	123.7
442	V	24.9	Very low	25.9	Very low	119 Å²	119	140.4 Å²	140.4	72%	0.721	77%	0.774	S	S	*	*			trans	81.3	106.5	164.9	-169.2	0	0	0	0	119.5
443	S	25.6	Very low	25.9	Very low	117 Å²	117	139.6 Å²	139.6	82%	0.818	77%	0.771	S	S	*	*				176.8	160.6	116.4	39.7	0	0	0	0	113.6
444	Q	28.5	Very low	25.9	Very low	185 Å²	185	138.4 Å²	138.4	86%	0.864	77%	0.769	S	S	*	*			trans	-136.4	-172	178.5	-75.6	-171.3	-16.1	0	0	110.4
445	I	26.1	Very low	26	Very low	160 Å²	160	139.3 Å²	139.3	82%	0.821	78%	0.776	S	S	*	*			trans	96.5	103.5	172.8	-55.8	163.4	0	0	0	111.4
446	A	27	Very low	26	Very low	79 Å²	79	137.3 Å²	137.3	65%	0.653	78%	0.783	S	S	*	*				80.3	156.5	68.3	0	0	0	0	0	112.4
447	T	27	Very low	26.1	Very low	128 Å²	128	141.4 Å²	141.4	79%	0.785	79%	0.788	S	S	*	*			cis	-125.2	-139.4	19.1	56.3	0	0	0	0	115
448	E	29.1	Very low	26	Very low	163 Å²	163	139.5 Å²	139.5	76%	0.762	79%	0.785	S	S	*	*			trans	-149.3	169	-136.6	-71.2	127.1	82.8	0	0	115.4
449	A	25.4	Very low	26.1	Very low	105 Å²	105	135 Å²	135	87%	0.868	78%	0.778	S	S	*	*			trans	-146.5	149.4	169.9	0	0	0	0	0	113.5
450	Q	28.1	Very low	26	Very low	180 Å²	180	134.6 Å²	134.6	84%	0.841	78%	0.776	S	S	*	*			trans	-69.9	169.3	-176.8	-80.5	177.7	-57.2	0	0	114.8
451	L	26.2	Very low	26.1	Very low	144 Å²	144	136 Å²	136	75%	0.754	77%	0.774	S	S	*	*			cis	-162	-175	5.9	-117	165.5	0	0	0	106.9
452	S	29.1	Very low	26.1	Very low	82 Å²	82	139.4 Å²	139.4	57%	0.573	78%	0.775	S	S	*	*			cis	-167	160.9	1.3	55.8	0	0	0	0	111.7
453	N	25.1	Very low	26.1	Very low	144 Å²	144	140 Å²	140	77%	0.77	77%	0.774	S	S	*	*			trans	66.2	155.9	153.3	-66.3	-6.3	0	0	0	118.6
454	T	25.6	Very low	26.2	Very low	119 Å²	119	138 Å²	138	73%	0.73	76%	0.759	S	S	*	*			cis	-156.6	154.4	3.3	-4.5	0	0	0	0	113.7
455	Q	26.9	Very low	26.3	Very low	192 Å²	192	136.1 Å²	136.1	90%	0.897	75%	0.75	S	S	*	*			trans	15.8	151.2	151.8	-73.1	-177.7	-18.7	0	0	126.1
456	G	25.9	Very low	26.5	Very low	74 Å²	74	134.4 Å²	134.4	76%	0.763	74%	0.743	S	S	*	*			trans	111.5	117.1	155.9	0	0	0	0	0	113.8
457	K	26.1	Very low	26.8	Very low	204 Å²	204	137.8 Å²	137.8	89%	0.887	75%	0.745	S	S	*	*			cis	85.2	134.4	26	-156.2	-175.3	178.5	-176.8	0	115.2
458	L	22.5	Very low	26.9	Very low	150 Å²	150	135.6 Å²	135.6	79%	0.785	74%	0.735	S	S	*	*			trans	88.6	100.2	175.9	-75.3	163.4	0	0	0	118.6
459	S	24.6	Very low	26.9	Very low	100 Å²	100	133.5 Å²	133.5	70%	0.699	73%	0.733	S	S	*	*			trans	-57.7	162.3	141	53.1	0	0	0	0	113.1
460	V	23.9	Very low	27	Very low	120 Å²	120	134.3 Å²	134.3	73%	0.727	73%	0.728	S	S	*	*			trans	178.9	139.8	131.4	137.4	0	0	0	0	113.4
461	I	25.5	Very low	26.8	Very low	136 Å²	136	130.5 Å²	130.5	70%	0.697	72%	0.72	S	S	*	*			trans	59.8	121.6	160.4	-76.4	168.3	0	0	0	117.3
462	R	24.6	Very low	26.8	Very low	226 Å²	226	130 Å²	130	85%	0.853	72%	0.722	S	S	*	*				64.2	147.1	67	-77.1	-170.9	-179.8	177.7	-0.4	112
463	L	26	Very low	26.7	Very low	133 Å²	133	132 Å²	132	70%	0.696	72%	0.723	S	S	*	*			cis	-137.1	147.4	44.6	-81.2	166.1	0	0	0	110.2
464	S	27.8	Very low	26.7	Very low	73 Å²	73	132.6 Å²	132.6	51%	0.51	72%	0.721	S	S	.	*				71.7	147.8	77.6	115.3	0	0	0	0	111.8
465	E	30	Very low	26.7	Very low	147 Å²	147	135.6 Å²	135.6	69%	0.687	72%	0.723	S	S	*	*			cis	-163.6	179	4.6	-113.7	141.8	-157.2	0	0	106
466	N	31	Very low	26.8	Very low	123 Å²	123	133 Å²	133	66%	0.658	72%	0.715	S	S	*	*			cis	-147.2	142	15.4	-104.2	-34.6	0	0	0	106.6
467	E	32.1	Very low	26.7	Very low	151 Å²	151	135.7 Å²	135.7	71%	0.706	71%	0.712	S	S	*	*				72.2	156.8	67.1	-81.9	-138.8	178.4	0	0	114.4
468	S	29.4	Very low	26.7	Very low	82 Å²	82	131.1 Å²	131.1	57%	0.573	70%	0.701	S	S	*	*			cis	175.8	-162	-13.8	58.7	0	0	0	0	107.1
469	V	29.9	Very low	26.8	Very low	118 Å²	118	129 Å²	129	72%	0.715	70%	0.699	S	S	*	*			cis	-129.3	-159.6	-32.1	-137.4	0	0	0	0	104.9
470	T	27	Very low	26.8	Very low	123 Å²	123	129 Å²	129	76%	0.755	70%	0.699	S	S	*	*			cis	175.5	160.5	34.9	3.2	0	0	0	0	104.3
471	C	23.8	Very low	26.8	Very low	100 Å²	100	130.2 Å²	130.2	68%	0.676	70%	0.697	S	S	*	*			cis	-168.5	-172.4	-12.5	-163	0	0	0	0	108.7
472	V	26.8	Very low	26.8	Very low	132 Å²	132	133.6 Å²	133.6	80%	0.8	70%	0.701	S	S	*	*			trans	93.7	133.4	156.3	-175.1	0	0	0	0	117
473	Q	26	Very low	26.9	Very low	126 Å²	126	127.6 Å²	127.6	59%	0.589	70%	0.7	S	S	*	*			cis	-172.9	156.7	-27.6	-174.6	60.1	1.3	0	0	107.9
474	E	24.8	Very low	27	Very low	156 Å²	156	124.9 Å²	124.9	73%	0.729	70%	0.704	S	S	*	*			trans	49.8	133.6	159.6	-81.1	138.4	-148.6	0	0	120.6
475	K	27	Very low	27	Very low	181 Å²	181	125.7 Å²	125.7	79%	0.787	72%	0.715	S	S	*	*			cis	89.1	132.2	6.9	-141.6	-165.2	-178	-173	0	117.4
476	L	27.7	Very low	27.1	Very low	137 Å²	137	127.9 Å²	127.9	72%	0.717	72%	0.722	S	S	*	*			trans	71.5	157.7	168.5	-100.6	71.9	0	0	0	116.2
477	D	24.7	Very low	26.7	Very low	131 Å²	131	129.2 Å²	129.2	70%	0.701	73%	0.725	S	S	*	*			cis	-164.7	-177.5	-13.6	-139.7	-18.5	0	0	0	107.4
478	T	24.8	Very low	26.5	Very low	108 Å²	108	127.9 Å²	127.9	66%	0.663	73%	0.726	S	S	*	*			cis	-161.9	-173.9	-5.1	-152.4	0	0	0	0	112.4
479	S	25	Very low	26.3	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	73%	0.729	S	S	*	*			trans	79.5	160.5	160.4	74	0	0	0	0	121.3
480	S	24.6	Very low	26.2	Very low	100 Å²	100	130.3 Å²	130.3	70%	0.699	73%	0.732	S	S	*	*			cis	166.1	162.9	-49.5	-177.7	0	0	0	0	110.5
481	E	24.3	Very low	26.2	Very low	144 Å²	144	131.9 Å²	131.9	67%	0.673	73%	0.731	S	S	*	*			trans	71.2	152.9	162.5	-84.7	-168.9	88.6	0	0	119.5
482	R	26.6	Very low	26.5	Very low	207 Å²	207	132.6 Å²	132.6	78%	0.781	73%	0.727	S	S	*	*			cis	-157.1	141.7	-0.3	156.2	-175.9	-64.4	-160.4	4	112.4
483	A	25.7	Very low	26.5	Very low	101 Å²	101	135.3 Å²	135.3	84%	0.835	73%	0.728	S	S	*	*			trans	54.8	153.1	158.4	0	0	0	0	0	120
484	G	27.1	Very low	26.7	Very low	76 Å²	76	137.9 Å²	137.9	78%	0.784	74%	0.74	S	S	*	*			cis	-174.2	-168.6	-1.6	0	0	0	0	0	109.7
485	A	28.4	Very low	27.4	Very low	90 Å²	90	135.5 Å²	135.5	74%	0.744	74%	0.738	S	S	*	*			cis	-165.1	150.6	-7	0	0	0	0	0	109.7
486	K	31.6	Very low	27.3	Very low	192 Å²	192	131.8 Å²	131.8	84%	0.835	74%	0.735	S	S	*	*			trans	60.6	159.6	161.3	-66.9	-172.8	-179.9	-166	0	117.7
487	E	22.7	Very low	27.5	Very low	152 Å²	152	133.8 Å²	133.8	71%	0.71	74%	0.738	S	S	*	*			cis	-179.3	172.8	-24.9	-165.1	-178	139.7	0	0	105.3
488	V	27.9	Very low	27.5	Very low	122 Å²	122	138.2 Å²	138.2	74%	0.739	75%	0.745	S	S	*	*			trans	72.7	139.4	162.3	177.4	0	0	0	0	117.6
489	T	26.1	Very low	27.6	Very low	103 Å²	103	136.2 Å²	136.2	63%	0.632	75%	0.745	S	S	*	*			cis	-174.4	136.5	-19.9	-90.3	0	0	0	0	110.2
490	L	27.9	Very low	27.8	Very low	148 Å²	148	137.9 Å²	137.9	78%	0.775	75%	0.751	S	S	*	*			trans	56.8	176.8	163.1	-64.1	165.9	0	0	0	119.7
491	E	27.4	Very low	27.9	Very low	157 Å²	157	140 Å²	140	73%	0.734	75%	0.749	S	S	*	*				-172	-170.5	-61.9	-145.5	-159.1	-162.9	0	0	109.3
492	I	28.8	Very low	28.1	Very low	115 Å²	115	139.9 Å²	139.9	59%	0.59	75%	0.753	S	S	*	*			trans	87.8	93.5	153.1	-72	151.4	0	0	0	120.9
493	K	27.8	Very low	28.1	Very low	189 Å²	189	133.4 Å²	133.4	82%	0.822	75%	0.751	S	S	*	*				75.7	137.2	126.8	-60.5	175.5	-167.8	164.7	0	124
494	E	28.8	Very low	28.2	Very low	179 Å²	179	137.2 Å²	137.2	84%	0.836	76%	0.756	S	S	*	*			trans	-72.4	-159.7	156	-40.4	178.6	107.4	0	0	111.7
495	P	40.5	Very low	28.4	Very low	107 Å²	107	140.5 Å²	140.5	70%	0.695	76%	0.755	S	S	*	*			cis	-141.8	169.8	-6.8	36.2	-14.5	0	0	0	118.7
496	S	25.1	Very low	28.3	Very low	103 Å²	103	148.2 Å²	148.2	72%	0.72	77%	0.765	S	S	*	*			trans	31.8	133.6	137	-166.8	0	0	0	0	122.6
497	K	31	Very low	28.2	Very low	178 Å²	178	145.3 Å²	145.3	77%	0.774	76%	0.759	S	S	*	*				-173.1	165	116	-100.5	155	-168.8	171.3	0	116.9
498	R	26.1	Very low	28.5	Very low	225 Å²	225	146.2 Å²	146.2	85%	0.849	77%	0.768	S	S	*	*			trans	-41.7	164.5	166.4	-69.1	159.8	-102.9	-173.3	-8.9	114.3
499	G	26.3	Very low	28.5	Very low	66 Å²	66	145 Å²	145	68%	0.68	76%	0.761	S	S	*	*			cis	150.1	-157.7	10.7	0	0	0	0	0	109.6
500	V	28.3	Very low	28.8	Very low	141 Å²	141	149.4 Å²	149.4	86%	0.855	77%	0.771	S	S	*	*			trans	73.6	146.3	172.1	177.6	0	0	0	0	115
501	E	28	Very low	28.6	Very low	145 Å²	145	150 Å²	150	68%	0.678	77%	0.77	S	S	*	*			cis	-172.9	171	-29.8	-158.3	-173.6	145.8	0	0	109.1
502	N	28.9	Very low	28.5	Very low	141 Å²	141	149.9 Å²	149.9	75%	0.754	77%	0.773	S	S	*	*			trans	61.4	136.3	155	-71.7	-40.3	0	0	0	123.4
503	G	26.3	Very low	28.3	Very low	71 Å²	71	149.3 Å²	149.3	73%	0.732	78%	0.779	S	S	*	*				133.7	86	111	0	0	0	0	0	122
504	L	26.8	Very low	28	Very low	181 Å²	181	149.3 Å²	149.3	95%	0.948	78%	0.782	S	S	*	*			trans	72.7	166.9	138.9	-136.8	66.9	0	0	0	121.6
505	L	31	Very low	28.3	Very low	145 Å²	145	146.5 Å²	146.5	76%	0.759	78%	0.78	S	S	*	*			trans	-96.6	153.9	-163.8	-74.3	153.9	0	0	0	115.2
506	R	27	Very low	27.7	Very low	252 Å²	252	147.4 Å²	147.4	95%	0.951	78%	0.783	S	S	*	*			trans	-153.1	153.7	134.1	-122.6	177.6	-175.8	-166.9	0.6	113.2
507	N	29.4	Very low	28.5	Very low	132 Å²	132	148 Å²	148	71%	0.706	79%	0.785	S	S	*	*			trans	-118.3	144.4	-178.6	-74.3	-83	0	0	0	111.2
508	L	29.8	Very low	28.4	Very low	170 Å²	170	146.5 Å²	146.5	89%	0.89	79%	0.785	S	S	*	*			trans	-166.7	159.5	153	-139.4	63.5	0	0	0	110.4
509	T	27.4	Very low	28.8	Very low	98 Å²	98	143.1 Å²	143.1	60%	0.601	78%	0.779	S	S	*	*				-174.9	117.9	-68.5	-89.1	0	0	0	0	108.1
510	K	31.2	Very low	28.9	Very low	195 Å²	195	147.3 Å²	147.3	85%	0.848	79%	0.786	S	S	*	*			trans	63.4	165.7	158.9	-72.1	175.1	-174.5	178.5	0	117.2
511	H	25.4	Very low	28.9	Very low	161 Å²	161	148.8 Å²	148.8	75%	0.745	78%	0.781	S	S	*	*			cis	-174.1	-178.5	-27.1	-168.8	-93.8	0	0	0	107.9
512	L	23.6	Very low	29.2	Very low	154 Å²	154	146.4 Å²	146.4	81%	0.806	78%	0.78	S	S	*	*			trans	83.6	174.4	167.9	-55.7	171.5	0	0	0	118
513	S	24.9	Very low	29.1	Very low	103 Å²	103	146.8 Å²	146.8	72%	0.72	78%	0.781	S	S	*	*			trans	-151.9	168.8	-138.1	-46.2	0	0	0	0	114.3
514	E	22.3	Very low	29.1	Very low	189 Å²	189	151.5 Å²	151.5	88%	0.883	78%	0.784	S	S	*	*			trans	68.6	162.2	162.1	-65.3	-176.8	141.8	0	0	117.7
515	P	35.1	Very low	29.5	Very low	120 Å²	120	150.4 Å²	150.4	78%	0.779	78%	0.778	S	S	*	*			cis	-127	-176.4	-17.2	28.5	-6.6	0	0	0	114.3
516	T	26.8	Very low	29.3	Very low	126 Å²	126	152.1 Å²	152.1	77%	0.773	78%	0.783	S	S	*	*			trans	-67.8	153.8	160.4	45.1	0	0	0	0	111.8
517	P	43.9	Very low	29.5	Very low	115 Å²	115	144.8 Å²	144.8	75%	0.747	77%	0.77	S	S	*	*				-133.6	-146.3	57.6	33.7	-9.7	0	0	0	112.4
518	D	28.1	Very low	29.9	Very low	147 Å²	147	143.9 Å²	143.9	79%	0.786	77%	0.774	S	S	*	*			cis	-159.1	-176.7	9.4	-140.7	-32.4	0	0	0	113.5
519	E	34.7	Very low	30.8	Very low	154 Å²	154	141.8 Å²	141.8	72%	0.72	77%	0.771	S	S	*	*			trans	-82	154.8	-176.5	-62.8	-169.8	139.7	0	0	116.6
520	N	28.6	Very low	30.9	Very low	153 Å²	153	145.4 Å²	145.4	82%	0.818	78%	0.781	S	S	*	*				-163.7	156.1	124.2	-115.9	-36.1	0	0	0	115.6
521	F	28.5	Very low	30.8	Very low	173 Å²	173	140.3 Å²	140.3	76%	0.759	77%	0.77	S	S	*	*			trans	-64	172	-178.1	-67	-98.7	0	0	0	115
522	S	32.8	Very low	31	Very low	95 Å²	95	136.5 Å²	136.5	66%	0.664	76%	0.761	S	S	*	*			cis	173.2	162.9	-24.2	-178.6	0	0	0	0	107.6
523	L	27.5	Very low	31.6	Very low	148 Å²	148	135.5 Å²	135.5	78%	0.775	76%	0.764	S	S	*	*			trans	167.1	136.9	138.2	-88.7	-161.8	0	0	0	114.9
524	H	26.2	Very low	31.7	Very low	170 Å²	170	135.6 Å²	135.6	79%	0.787	76%	0.76	S	S	*	*			trans	66.4	148.4	156.4	-80.1	-85.7	0	0	0	124
525	L	35.2	Very low	32.1	Very low	158 Å²	158	134.8 Å²	134.8	83%	0.827	75%	0.753	S	S	*	*			trans	-117.6	166.9	176.8	-62.3	76	0	0	0	109.6
526	E	25.8	Very low	31.7	Very low	182 Å²	182	139.2 Å²	139.2	85%	0.85	76%	0.756	S	S	*	*				-155	143.6	119.7	-118.9	-177.6	166	0	0	114.2
527	S	32.5	Very low	31.7	Very low	97 Å²	97	140.7 Å²	140.7	68%	0.678	76%	0.758	S	S	*	*			trans	40.7	110	156	-59	0	0	0	0	120.8
528	S	38.3	Very low	30.8	Very low	113 Å²	113	141.5 Å²	141.5	79%	0.79	76%	0.761	S	S	*	*				83.2	152.2	66	-71.2	0	0	0	0	114.4
529	P	49	Very low	30.8	Very low	127 Å²	127	138.6 Å²	138.6	83%	0.825	76%	0.758	S	S	*	*			cis	-119.3	-122	16.6	41.4	-26.3	0	0	0	115.2
530	E	28.3	Very low	31.1	Very low	174 Å²	174	136.4 Å²	136.4	81%	0.813	76%	0.757	S	S	*	*			trans	-157	166.5	-137.7	-94.9	-144.6	106.6	0	0	112.9
531	S	30	Very low	30.9	Very low	88 Å²	88	135.4 Å²	135.4	62%	0.615	75%	0.745	S	S	*	*			cis	-162.8	152.3	-3.1	49.4	0	0	0	0	113.2
532	S	28.1	Very low	31.6	Very low	81 Å²	81	132.5 Å²	132.5	57%	0.566	74%	0.744	S	S	*	*				30.6	144.2	128	-149.2	0	0	0	0	121.7	V534	S532-V534 PolarHBondContact OG-N 2.87Å
533	P	36.4	Very low	31.8	Very low	132 Å²	132	132.9 Å²	132.9	86%	0.857	74%	0.744	S	S	*	*				-133.2	138	96.2	37.2	-29.6	0	0	0	114.7
534	V	27.8	Very low	32.1	Very low	105 Å²	105	135.4 Å²	135.4	64%	0.636	75%	0.748	S	S	*	*			trans	-141.5	106.6	-172.6	173.9	0	0	0	0	112.7	S532	S532-V534 PolarHBondContact OG-N 2.87Å
535	K	31.6	Very low	32.2	Very low	173 Å²	173	135.9 Å²	135.9	75%	0.752	75%	0.751	S	S	*	*			trans	70.3	126.4	141.3	-63.6	176.8	-173.5	172.7	0	124
536	Y	26	Very low	31.8	Very low	212 Å²	212	134.9 Å²	134.9	83%	0.831	75%	0.746	S	S	*	*				86.2	156.9	119.8	-83.9	-136	0	0	0	123.3
537	L	27.3	Very low	31.7	Very low	157 Å²	157	135.1 Å²	135.1	82%	0.822	74%	0.744	S	S	*	*			trans	96.5	140.9	149.1	-84.3	165.2	0	0	0	121.9
538	T	25.3	Very low	31.3	Very low	132 Å²	132	138.1 Å²	138.1	81%	0.81	75%	0.745	S	S	*	*			trans	79.6	144.8	155.3	-51.3	0	0	0	0	120.6
539	A	27.3	Very low	30.5	Very low	86 Å²	86	139.3 Å²	139.3	71%	0.711	74%	0.738	S	S	*	*			trans	-147	177.1	171.2	0	0	0	0	0	107
540	P	40.7	Very low	29.5	Very low	108 Å²	108	139 Å²	139	70%	0.701	74%	0.739	S	S	*	*			cis	-140.4	-160.8	6.3	42.8	-22.2	0	0	0	115.1
541	K	23.8	Very low	29.4	Very low	133 Å²	133	133.9 Å²	133.9	58%	0.578	73%	0.733	S	S	*	*			trans	76.7	139.2	162.3	-73.6	176.8	176.2	176.1	0	120	S205 V206	S205-K541 VanDerWaalsContact C-NZ 3.34Å; S205-K541 PolarHBondContact O-NZ 2.67Å; V206-K541 PolarHBondContact O-NZ 3.05Å
542	P	44.1	Very low	29.1	Very low	112 Å²	112	138.4 Å²	138.4	73%	0.727	74%	0.744	S	S	*	*			trans	-94.3	-161.5	162.2	43.7	-37.7	0	0	0	110.2
543	P	38.1	Very low	28.8	Very low	103 Å²	103	139.1 Å²	139.1	67%	0.669	75%	0.749	S	S	*	*			cis	-146.5	177.5	5.9	45	-25	0	0	0	119.9
544	K	32.3	Very low	28.2	Very low	200 Å²	200	141 Å²	141	87%	0.87	75%	0.747	S	S	*	*			trans	55.9	106.4	145.7	-77.1	177	177	-176.9	0	122.5
545	Q	28.2	Very low	28.1	Very low	181 Å²	181	142.8 Å²	142.8	85%	0.846	75%	0.747	S	S	*	*			trans	-161.6	161.7	141.4	-85.6	-145.9	24.3	0	0	107.2
546	L	26.5	Very low	27.7	Very low	136 Å²	136	141.8 Å²	141.8	71%	0.712	75%	0.745	S	S	*	*			cis	-157.3	167	-19.3	175	60.8	0	0	0	107.3
547	K	25.1	Very low	27.8	Very low	187 Å²	187	134.8 Å²	134.8	81%	0.813	74%	0.738	S	S	*	*			trans	-41.3	147.8	178.2	-55	164.3	-178.5	173.9	0	115.3
548	K	24.4	Very low	27.6	Very low	161 Å²	161	135.3 Å²	135.3	70%	0.7	74%	0.741	S	S	*	*				163.3	133.8	96.1	-169.3	162	-176.8	-80.7	0	114.2
549	E	21.7	Very low	27.9	Very low	137 Å²	137	132.9 Å²	132.9	64%	0.64	73%	0.734	S	S	*	*			trans	69.5	129.3	159.2	-85.3	145.2	-150.4	0	0	122.8
550	S	27	Very low	28.2	Very low	121 Å²	121	134 Å²	134	85%	0.846	73%	0.734	S	S	*	*	S	Bend	trans	56.5	101.3	166.8	59	0	0	0	0	117.8
551	G	25.3	Very low	27.5	Very low	66 Å²	66	137.1 Å²	137.1	68%	0.68	74%	0.736	S	S	*	*			cis	170.8	92.5	-6.1	0	0	0	0	0	108.3
552	E	24	Very low	27.6	Very low	184 Å²	184	138.3 Å²	138.3	86%	0.86	74%	0.744	S	S	*	*				78.6	130.7	79	-74.3	-173.8	129.3	0	0	113.1
553	S	22.2	Very low	26.8	Very low	96 Å²	96	139.6 Å²	139.6	67%	0.671	74%	0.744	S	S	*	*			cis	-160.1	144.9	3.6	53.6	0	0	0	0	112.7
554	E	22.9	Very low	26.1	Very low	172 Å²	172	141.2 Å²	141.2	80%	0.804	75%	0.752	S	S	*	*			trans	59.9	150.4	149.5	-74.9	-164.6	135.4	0	0	120.2
555	H	26.3	Very low	26.3	Very low	141 Å²	141	140.4 Å²	140.4	65%	0.653	75%	0.751	S	S	*	*			cis	-153.4	-159.3	-24.4	-140.4	-19.2	0	0	0	110.2
556	Q	23.8	Very low	26.5	Very low	152 Å²	152	138 Å²	138	71%	0.71	75%	0.751	S	S	*	*			trans	-58.1	157.1	172.5	-49.6	145.9	7.7	0	0	110.2
557	G	27.9	Very low	26.5	Very low	65 Å²	65	138.8 Å²	138.8	67%	0.67	76%	0.755	S	S	*	*			cis	78.9	102	32.3	0	0	0	0	0	111
558	L	23.6	Very low	26.5	Very low	169 Å²	169	137.5 Å²	137.5	89%	0.885	76%	0.756	S	S	*	*			trans	-177.5	151.3	162.7	-105.1	164.9	0	0	0	111.9
559	A	30	Very low	26.5	Very low	80 Å²	80	134.7 Å²	134.7	66%	0.661	75%	0.753	S	S	*	*			trans	-90.9	174	160	0	0	0	0	0	109
560	P	35.2	Very low	26.7	Very low	109 Å²	109	134.2 Å²	134.2	71%	0.708	76%	0.755	S	S	*	*				-166.2	-178.3	72.4	44.8	-22.5	0	0	0	119.8
561	K	26.3	Very low	26.7	Very low	174 Å²	174	136.8 Å²	136.8	76%	0.757	75%	0.753	S	S	*	*			trans	70	122.3	140.2	-80.3	162.7	-173.1	176.9	0	123.9
562	Q	25.2	Very low	26.7	Very low	158 Å²	158	140 Å²	140	74%	0.738	76%	0.76	S	S	*	*				96.4	130.5	122.4	-80.6	-179.1	-13.3	0	0	124.2
563	L	26.6	Very low	27	Very low	139 Å²	139	136.6 Å²	136.6	73%	0.728	76%	0.756	S	S	*	*			trans	53.3	111.6	138	-67.3	165	0	0	0	121.2
564	T	24.1	Very low	27.2	Very low	137 Å²	137	140.7 Å²	140.7	84%	0.84	77%	0.765	S	S	*	*				178.2	162.8	105	28.4	0	0	0	0	112
565	H	36.9	Very low	27.4	Very low	184 Å²	184	139.2 Å²	139.2	85%	0.852	77%	0.768	S	S	*	*			trans	-103.7	151.5	160.3	-78.6	-77.2	0	0	0	109
566	P	32.1	Very low	27.5	Very low	129 Å²	129	140.7 Å²	140.7	84%	0.838	78%	0.775	S	S	*	*				-142.6	-177.4	110.3	38.1	-24.1	0	0	0	115.1
567	L	26.1	Very low	27.7	Very low	154 Å²	154	140.3 Å²	140.3	81%	0.806	78%	0.778	S	S	*	*			trans	-101	136.2	-176.1	167.2	79.6	0	0	0	111
568	L	25.8	Very low	27.8	Very low	159 Å²	159	148.4 Å²	148.4	83%	0.832	79%	0.788	S	S	*	*			trans	-163.2	153.8	134.7	-136.5	60.5	0	0	0	116.1
569	T	23.2	Very low	28.1	Very low	103 Å²	103	146.8 Å²	146.8	63%	0.632	79%	0.785	S	S	*	*			trans	-73	151.2	179.3	-11.2	0	0	0	0	113.8
570	N	26.5	Very low	28.5	Very low	127 Å²	127	148.7 Å²	148.7	68%	0.679	79%	0.791	S	S	*	*				169	146.1	98.9	-102.5	-27.2	0	0	0	118.3
571	Q	26.4	Very low	28.1	Very low	175 Å²	175	151.2 Å²	151.2	82%	0.818	80%	0.798	S	S	*	*			trans	73.9	148	139.4	-70	179.6	124.8	0	0	124.4
572	T	25.4	Very low	28.2	Very low	133 Å²	133	148.3 Å²	148.3	82%	0.816	80%	0.799	S	S	*	*			trans	-108.5	151.4	-170.2	43.7	0	0	0	0	113.5
573	S	30.4	Very low	28.4	Very low	112 Å²	112	148.5 Å²	148.5	78%	0.783	81%	0.805	S	S	*	*			trans	-162.8	115.7	143.6	47.8	0	0	0	0	107.3
574	E	27	Very low	28.6	Very low	182 Å²	182	147.9 Å²	147.9	85%	0.85	81%	0.809	S	S	*	*				53.1	108.9	71.2	-68.8	-161.5	170.4	0	0	115.1
575	T	26.2	Very low	28.7	Very low	142 Å²	142	146.5 Å²	146.5	87%	0.871	81%	0.805	S	S	*	*				-175.1	137.1	120.7	-69.4	0	0	0	0	109.4
576	E	28.3	Very low	28.5	Very low	172 Å²	172	145.5 Å²	145.5	80%	0.804	81%	0.805	S	S	*	*			trans	-88.2	162.1	178.1	-52.2	178.5	122.9	0	0	112.5
577	N	27.9	Very low	28.2	Very low	143 Å²	143	142.9 Å²	142.9	77%	0.765	80%	0.795	S	S	*	*				-174.8	150.3	123.3	-110.5	-83.9	0	0	0	116.2
578	R	30.6	Very low	28.3	Very low	235 Å²	235	140.8 Å²	140.8	89%	0.887	79%	0.793	S	S	*	*			trans	63.5	108.7	155.6	-75.7	179.9	171.3	177.5	-4	122.3
579	V	30.9	Very low	28.4	Very low	136 Å²	136	142.1 Å²	142.1	82%	0.824	79%	0.792	S	S	*	*			trans	-87.3	145.2	152.9	165.4	0	0	0	0	107.1
580	P	36.4	Very low	28.6	Very low	120 Å²	120	142.6 Å²	142.6	78%	0.779	80%	0.798	S	S	*	*				-150.2	140.8	75.6	38.4	-16.7	0	0	0	120.6
581	L	28.7	Very low	28.6	Very low	162 Å²	162	140.8 Å²	140.8	85%	0.848	80%	0.795	S	S	*	*			trans	52.3	110.6	131.1	-156.2	78.6	0	0	0	121.1
582	S	26.7	Very low	28.7	Very low	112 Å²	112	139.5 Å²	139.5	78%	0.783	79%	0.794	S	S	*	*				-175.4	137.3	125	-81	0	0	0	0	111.9
583	N	29.5	Very low	28.9	Very low	162 Å²	162	138.9 Å²	138.9	87%	0.866	80%	0.795	S	S	*	*			trans	-86.7	155.9	165.6	-75.3	-21	0	0	0	110
584	P	32.3	Very low	28.9	Very low	127 Å²	127	141.3 Å²	141.3	83%	0.825	80%	0.799	S	S	*	*				-128.7	166.6	104.2	37.5	-32.8	0	0	0	113.9
585	S	25.8	Very low	29	Very low	107 Å²	107	138.5 Å²	138.5	75%	0.748	80%	0.796	S	S	*	*			trans	-94.8	-171	-178.3	-170.5	0	0	0	0	112.3
586	L	32	Very low	29.2	Very low	163 Å²	163	135.7 Å²	135.7	85%	0.853	78%	0.782	S	S	*	*			trans	91.6	147.1	166.6	-49.7	175.5	0	0	0	118
587	A	25.7	Very low	29.8	Very low	75 Å²	75	135 Å²	135	62%	0.62	78%	0.779	S	S	*	*			cis	-174.2	131.7	-29.5	0	0	0	0	0	112.1
588	S	29.6	Very low	30.4	Very low	110 Å²	110	135 Å²	135	77%	0.769	77%	0.774	S	S	*	*			trans	-162.7	112.8	149.9	49.5	0	0	0	0	108.5
589	K	27.9	Very low	30.7	Very low	187 Å²	187	131.2 Å²	131.2	81%	0.813	77%	0.766	S	S	*	*				65.8	124.9	67	-63.5	-179.4	178	-177	0	111
590	C	25.9	Very low	31.4	Very low	113 Å²	113	131.1 Å²	131.1	76%	0.764	76%	0.76	S	S	*	*			cis	-130.8	157	17.2	-66.1	0	0	0	0	111
591	S	27.1	Very low	31.5	Very low	88 Å²	88	132.3 Å²	132.3	62%	0.615	76%	0.755	S	S	*	*			cis	72.9	128	31.1	76.4	0	0	0	0	114.9
592	N	29.5	Very low	32	Very low	149 Å²	149	131.2 Å²	131.2	80%	0.797	74%	0.743	S	S	*	*			cis	-156.6	152	1.9	-94.3	-12.7	0	0	0	110.9
593	S	27.7	Very low	32.8	Very low	119 Å²	119	133 Å²	133	83%	0.832	74%	0.744	S	S	*	*			trans	-175.6	101.7	136	55	0	0	0	0	110.3
594	L	30.6	Very low	33.5	Very low	164 Å²	164	134.3 Å²	134.3	86%	0.859	74%	0.741	S	S	*	*			trans	-109.7	142.3	173.1	-76.2	165.8	0	0	0	109.5
595	P	30.8	Very low	34.1	Very low	123 Å²	123	136.5 Å²	136.5	80%	0.799	74%	0.741	S	S	*	*			trans	-69	163.1	164	-16.4	31.9	0	0	0	112.1
596	S	29.4	Very low	34.9	Very low	83 Å²	83	136.3 Å²	136.3	58%	0.58	75%	0.746	S	S	*	*			trans	-64.2	151.4	-170.9	-169.7	0	0	0	0	115.6	E598	S596-E598 WeakPolarHBondContact CB-OE2 3.39Å; S596-E598 VanDerWaalsContact OG-CG 3.3Å; S596-E598 WeakPolarHBondContact OG-CG 3.43Å; S596-E598 PolarHBondContact OG-N 2.9Å; S596-E598 PolarHBondContact OG-OE2 3.13Å
597	E	40.4	Very low	35.4	Very low	156 Å²	156	131.9 Å²	131.9	73%	0.729	74%	0.739	S	S	*	*	S	Bend	trans	-87.7	-1.7	179.8	-156.6	170	151.6	0	0	113.2	H599 I600	E597-H599 VanDerWaalsContact C-N 3.29Å; E597-H599 PolarHBondContact O-N 2.8Å; E597-H599 VanDerWaalsContact O-N 3.17Å; E597-I600 PolarHBondContact O-N 3.17Å
598	E	40.3	Very low	36.7	Very low	144 Å²	144	138.8 Å²	138.8	67%	0.673	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-16.8	-169.8	-70.6	162.1	126.1	0	0	115.6	S596	S596-E598 WeakPolarHBondContact CB-OE2 3.39Å; S596-E598 VanDerWaalsContact OG-CG 3.3Å; S596-E598 WeakPolarHBondContact OG-CG 3.43Å; S596-E598 PolarHBondContact OG-N 2.9Å; S596-E598 PolarHBondContact OG-OE2 3.13Å
599	H	36.7	Very low	37.8	Very low	155 Å²	155	141.1 Å²	141.1	72%	0.718	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-14.1	-177.3	-156.6	-91.8	0	0	0	114.1	E597	E597-H599 VanDerWaalsContact C-N 3.29Å; E597-H599 PolarHBondContact O-N 2.8Å; E597-H599 VanDerWaalsContact O-N 3.17Å
600	I	45.6	Very low	38.7	Very low	135 Å²	135	134.6 Å²	134.6	69%	0.692	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-30.6	-177.2	-63.6	178.4	0	0	0	111.6	E597	E597-I600 PolarHBondContact O-N 3.17Å
601	Q	40.4	Very low	40.5	Very low	144 Å²	144	137.8 Å²	137.8	67%	0.673	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-75.8	-31.7	-176.2	-67.4	176.5	-5.6	0	0	113	L603 K604	Q601-L603 PolarHBondContact O-N 2.69Å; Q601-L603 VanDerWaalsContact O-N 3.17Å; Q601-K604 PolarHBondContact O-N 3.24Å; Q601-K604 VanDerWaalsContact O-N 3.11Å
602	K	39.2	Very low	42.2	Very low	139 Å²	139	141.8 Å²	141.8	60%	0.604	76%	0.761	S	S	*	*	G	3₁₀ helix	trans	-73.4	-1.7	-176.4	-82.6	178.7	174.9	167.3	0	116.1
603	L	43.1	Very low	43.9	Very low	151 Å²	151	141.8 Å²	141.8	79%	0.791	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-91.7	1.1	168.6	-82.2	167.6	0	0	0	113.6	Q601	Q601-L603 PolarHBondContact O-N 2.69Å; Q601-L603 VanDerWaalsContact O-N 3.17Å
604	K	44.6	Very low	46	Very low	188 Å²	188	143.8 Å²	143.8	82%	0.817	76%	0.756	S	S	*	*	S	Bend	trans	-107.5	3.3	-176.1	-149.6	178.2	178.2	-177.6	0	115.1	Q601	Q601-K604 PolarHBondContact O-N 3.24Å; Q601-K604 VanDerWaalsContact O-N 3.11Å
605	E	43.7	Very low	47.6	Very low	174 Å²	174	140.7 Å²	140.7	81%	0.813	74%	0.74	S	S	*	*	S	Bend	trans	-110.5	10.2	-178.7	-65.5	-167.9	119.6	0	0	114.3
606	A	43.6	Very low	49.5	Very low	103 Å²	103	140.1 Å²	140.1	85%	0.851	73%	0.729	S	S	*	*	S	Bend	trans	-107.7	73.5	170.8	0	0	0	0	0	110
607	G	42.5	Very low	51.2	Low	69 Å²	69	140.3 Å²	140.3	71%	0.711	72%	0.723	S	S	*	*			trans	165.5	47.6	-173.8	0	0	0	0	0	114.2
608	K	52.9	Low	52.6	Low	220 Å²	220	136.9 Å²	136.9	96%	0.957	72%	0.722	S	S	*	*			trans	-102.4	51	172.6	-113.9	-172.8	-179.7	-178.7	0	111.3
609	D	51.3	Low	53.9	Low	159 Å²	159	133.1 Å²	133.1	85%	0.85	72%	0.721	S	S	*	*	S	Bend	trans	-146	140.9	163	-162	-3.5	0	0	0	109.7
610	G	47	Very low	55.7	Low	50 Å²	50	130 Å²	130	52%	0.515	71%	0.707	S	S	.	*			trans	73.8	106.2	-176.3	0	0	0	0	0	115.9	K612	G610-K612 PolarHBondContact O-N 2.77Å
611	D	63.5	Low	56.7	Low	181 Å²	181	133.9 Å²	133.9	97%	0.968	72%	0.719	S	S	*	*			trans	-70.3	56.8	168.9	-75.1	-50.7	0	0	0	112.9
612	K	62.8	Low	57.8	Low	172 Å²	172	134.9 Å²	134.9	75%	0.748	72%	0.717	S	S	*	*			trans	-119	75.5	-179.9	-68.1	176.7	-176.4	168	0	109.8	G610 L614	G610-K612 PolarHBondContact O-N 2.77Å; K612-L614 PolarHBondContact O-N 2.89Å
613	Q	66.2	Low	59.3	Low	149 Å²	149	132.3 Å²	132.3	70%	0.696	71%	0.706	S	S	*	*			trans	-68.8	83.6	167.8	-173.9	179.5	-12.8	0	0	109.9	I615	Q613-I615 WeakPolarHBondContact CG-O 3.32Å; Q613-I615 PolarHBondContact NE2-O 3Å; Q613-I615 PolarHBondContact O-N 2.91Å
614	L	70.7	Confident	61	Low	160 Å²	160	126.5 Å²	126.5	84%	0.838	68%	0.682	S	S	*	*			trans	-65.8	-17.7	178.8	-62.9	177.3	0	0	0	113.3	K612	K612-L614 PolarHBondContact O-N 2.89Å
615	I	64.8	Low	63.1	Low	99 Å²	99	120.3 Å²	120.3	51%	0.508	67%	0.666	S	S	.	*			trans	-124.7	109.7	-174.1	-54.9	179.7	0	0	0	109.7	Q613 F623	Q613-I615 WeakPolarHBondContact CG-O 3.32Å; Q613-I615 PolarHBondContact NE2-O 3Å; Q613-I615 PolarHBondContact O-N 2.91Å; I615-F623 HydrophobicContact CG2-CE2 3.49Å; I615-F623 VanDerWaalsContact CG2-CE2 3.49Å; I615-F623 HydrophobicContact CG2-CZ 3.58Å
616	I	71.8	Confident	65.3	Low	111 Å²	111	114.6 Å²	114.6	57%	0.569	64%	0.64	S	S	*	*			trans	-100.7	120.5	175.9	-55.6	176.1	0	0	0	108.9	A618 Q620	I616-A618 VanDerWaalsContact C-N 3.26Å; I616-A618 HydrophobicContact CG2-CB 4.36Å; I616-A618 PolarHBondContact O-N 3.37Å; I616-Q620 PolarHBondContact O-NE2 3.05Å
617	D	64.9	Low	67.6	Low	87 Å²	87	113.1 Å²	113.1	47%	0.465	62%	0.624	S	S	.	*			trans	-78.3	78.8	168.2	-168.6	2.3	0	0	0	110.5	G619 Q620 F623	D617-G619 PolarHBondContact O-N 3.14Å; D617-G619 PolarHBondContact OD1-N 2.86Å; D617-G619 VanDerWaalsContact OD1-N 3.16Å; D617-Q620 PolarHBondContact OD1-N 3.4Å; D617-F623 HydrophobicContact CB-CD1 4.23Å; D617-F623 HydrophobicContact CB-CD2 3.74Å; D617-F623 HydrophobicContact CB-CE1 4.06Å; D617-F623 HydrophobicContact CB-CE2 3.54Å; D617-F623 HydrophobicContact CB-CG 4.08Å; D617-F623 HydrophobicContact CB-CZ 3.73Å
618	A	69.9	Low	69.9	Low	85 Å²	85	110.4 Å²	110.4	70%	0.702	59%	0.594	S	S	*	*	S	Bend	trans	-78.6	39.1	173.5	0	0	0	0	0	112.3	I616	I616-A618 VanDerWaalsContact C-N 3.26Å; I616-A618 HydrophobicContact CG2-CB 4.36Å; I616-A618 PolarHBondContact O-N 3.37Å
619	G	66.5	Low	71.7	Confident	64 Å²	64	106.6 Å²	106.6	66%	0.66	58%	0.584	S	S	*	*	S	Bend	trans	74	39.3	-177	0	0	0	0	0	113.2	D617 K621	D617-G619 PolarHBondContact O-N 3.14Å; D617-G619 PolarHBondContact OD1-N 2.86Å; D617-G619 VanDerWaalsContact OD1-N 3.16Å; G619-K621 PolarHBondContact O-N 3.22Å
620	Q	74.2	Confident	73.5	Confident	90 Å²	90	103.4 Å²	103.4	42%	0.421	57%	0.566	S	S	.	*			trans	-75.4	121.6	-174.1	-54.7	-166.5	38.1	0	0	111.1	I616 D617 R622 F623	I616-Q620 PolarHBondContact O-NE2 3.05Å; D617-Q620 PolarHBondContact OD1-N 3.4Å; Q620-R622 PolarHBondContact O-N 3.37Å; Q620-F623 HydrophobicContact CB-CB 4.33Å; Q620-F623 HydrophobicContact CB-CD2 4.24Å; Q620-F623 HydrophobicContact CG-CD2 4.4Å; Q620-F623 PolarHBondContact O-N 2.94Å; Q620-F623 VanDerWaalsContact O-N 3.12Å
621	K	67.6	Low	75.6	Confident	216 Å²	216	101.1 Å²	101.1	94%	0.939	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-3.2	-177.8	-66.7	-172.5	179.1	-178.9	0	115.7	G619	G619-K621 PolarHBondContact O-N 3.22Å
622	R	64.1	Low	76.8	Confident	165 Å²	165	93.5 Å²	93.5	62%	0.623	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138.9	49.5	172.7	-63.7	-161.7	-57	-100.7	3.8	110.7	Q620	Q620-R622 PolarHBondContact O-N 3.37Å
623	F	68.7	Low	78.1	Confident	86 Å²	86	87.5 Å²	87.5	38%	0.377	48%	0.482	S	S	.	.			trans	-75.1	144.6	171.9	-157.2	-96.7	0	0	0	111.2	I615 D617 Q620	I615-F623 HydrophobicContact CG2-CE2 3.49Å; I615-F623 VanDerWaalsContact CG2-CE2 3.49Å; I615-F623 HydrophobicContact CG2-CZ 3.58Å; D617-F623 HydrophobicContact CB-CD1 4.23Å; D617-F623 HydrophobicContact CB-CD2 3.74Å; D617-F623 HydrophobicContact CB-CE1 4.06Å; D617-F623 HydrophobicContact CB-CE2 3.54Å; D617-F623 HydrophobicContact CB-CG 4.08Å; D617-F623 HydrophobicContact CB-CZ 3.73Å; Q620-F623 HydrophobicContact CB-CB 4.33Å; Q620-F623 HydrophobicContact CB-CD2 4.24Å; Q620-F623 HydrophobicContact CG-CD2 4.4Å; Q620-F623 PolarHBondContact O-N 2.94Å; Q620-F623 VanDerWaalsContact O-N 3.12Å
624	G	79.9	Confident	79.3	Confident	28 Å²	28	86.3 Å²	86.3	29%	0.289	48%	0.479	S	S	.	.	S	Bend	trans	77.6	-176.9	179	0	0	0	0	0	115.2
625	A	87.6	Confident	80.3	Confident	58 Å²	58	79.8 Å²	79.8	48%	0.479	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	135.7	-177.7	0	0	0	0	0	112.2	L634 Y635	A625-L634 HydrophobicContact CB-CD2 3.63Å; A625-L634 HydrophobicContact CB-CG 4.29Å; A625-Y635 WeakPolarHBondContact CA-O 3.29Å
626	I	90	Very high	81.6	Confident	55 Å²	55	77 Å²	77	28%	0.282	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	153.9	178.5	65.1	168.8	0	0	0	110.5	L634 Y635 A637	I626-L634 CarbonylContact O-C 3.54Å; I626-L634 WeakPolarHBondContact O-CA 3.5Å; I626-Y635 HydrophobicContact CD1-CE1 4.08Å; I626-Y635 HydrophobicContact CG1-CD1 4.21Å; I626-Y635 HydrophobicContact CG1-CE1 3.83Å; I626-Y635 PolarHBondContact N-O 2.8Å; I626-Y635 PolarHBondContact O-N 3.13Å; I626-A637 HydrophobicContact CD1-CB 3.58Å; I626-A637 HydrophobicContact CG1-CB 3.95Å
627	S	91.7	Very high	82.3	Confident	71 Å²	71	72.5 Å²	72.5	50%	0.497	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.3	170.9	58.5	0	0	0	0	110.7	N629 M633	S627-N629 PolarHBondContact O-N 3.38Å; S627-M633 WeakPolarHBondContact CA-O 3.3Å
628	C	92.2	Very high	83.3	Confident	13 Å²	13	71 Å²	71	9%	0.088	41%	0.407	C	S	.	.			trans	-76.8	118.9	176.7	177.2	0	0	0	0	110.9	I630 C631 G632 M633 Y635 H646 M786	C628-I630 PolarHBondContact O-N 3.1Å; C628-C631 VanDerWaalsContact CB-SG 3.59Å; C628-G632 VanDerWaalsContact O-CA 3.28Å; C628-G632 WeakPolarHBondContact O-CA 3.42Å; C628-G632 PolarHBondContact O-N 2.87Å; C628-M633 PolarHBondContact N-O 3.15Å; C628-Y635 HydrophobicContact CB-CE1 4.04Å; C628-H646 WeakPolarHBondContact CB-NE2 3.4Å; C628-H646 PolarHBondContact SG-NE2 2.96Å; C628-M786 WeakPolarHBondContact O-CE 3.5Å
629	N	90.5	Very high	84.2	Confident	139 Å²	139	69.9 Å²	69.9	74%	0.743	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-0.1	180	-65.5	8.8	0	0	0	115.8	S627 M786	S627-N629 PolarHBondContact O-N 3.38Å; N629-M786 VanDerWaalsContact C-CE 3.49Å
630	I	89.7	Confident	85.2	Confident	92 Å²	92	70.6 Å²	70.6	47%	0.472	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-48.1	-175	-67.6	173.7	0	0	0	112.3	C628 I654	C628-I630 PolarHBondContact O-N 3.1Å; I630-I654 HydrophobicContact CG2-CD1 3.54Å; I630-I654 HydrophobicContact CG2-CG1 4.06Å
631	C	89.9	Confident	86	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.014	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-7.7	178.5	67.2	0	0	0	0	114	C628 M633 F649 H650 F653	C628-C631 VanDerWaalsContact CB-SG 3.59Å; C631-M633 PolarHBondContact O-N 2.71Å; C631-M633 VanDerWaalsContact O-N 3.13Å; C631-F649 HydrophobicContact CB-CD1 4.18Å; C631-F649 HydrophobicContact CB-CE1 3.99Å; C631-H650 HydrophobicContact CB-CB 4.4Å; C631-F653 HydrophobicContact CB-CB 4.24Å; C631-F653 HydrophobicContact CB-CD1 3.59Å; C631-F653 HydrophobicContact CB-CE1 4.18Å; C631-F653 HydrophobicContact CB-CG 3.96Å
632	G	88.8	Confident	87.2	Confident	22 Å²	22	62.9 Å²	62.9	23%	0.227	35%	0.35	C	S	.	.			trans	71	-1.1	177.4	0	0	0	0	0	116.1	C628	C628-G632 VanDerWaalsContact O-CA 3.28Å; C628-G632 WeakPolarHBondContact O-CA 3.42Å; C628-G632 PolarHBondContact O-N 2.87Å
633	M	90.2	Very high	88.5	Confident	46 Å²	46	59.8 Å²	59.8	23%	0.227	34%	0.343	C	S	.	.			trans	-64	139.9	173.9	-154.2	-175.4	104.8	0	0	110.4	S627 C628 C631 H646 F649	S627-M633 WeakPolarHBondContact CA-O 3.3Å; C628-M633 PolarHBondContact N-O 3.15Å; C631-M633 PolarHBondContact O-N 2.71Å; C631-M633 VanDerWaalsContact O-N 3.13Å; M633-H646 HydrophobicContact CE-CB 3.77Å; M633-F649 HydrophobicContact CB-CD1 3.76Å; M633-F649 HydrophobicContact CB-CE1 3.85Å; M633-F649 HydrophobicContact CG-CD1 3.96Å; M633-F649 HydrophobicContact CG-CE1 4.21Å; M633-F649 HydrophobicContact CG-CG 4.47Å; M633-F649 HydrophobicContact SD-CB 3.62Å; M633-F649 HydrophobicContact SD-CD1 3.6Å; M633-F649 HydrophobicContact SD-CD2 4.49Å; M633-F649 HydrophobicContact SD-CE1 4.4Å; M633-F649 HydrophobicContact SD-CG 3.65Å
634	L	91.3	Very high	89.7	Confident	123 Å²	123	59.8 Å²	59.8	64%	0.644	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	127	175.5	-174.6	146.8	0	0	0	108.6	A625 I626	A625-L634 HydrophobicContact CB-CD2 3.63Å; A625-L634 HydrophobicContact CB-CG 4.29Å; I626-L634 CarbonylContact O-C 3.54Å; I626-L634 WeakPolarHBondContact O-CA 3.5Å
635	Y	91.9	Very high	90.3	Very high	24 Å²	24	64.2 Å²	64.2	9%	0.094	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	153	-169.4	79	-77.5	0	0	0	112.1	A625 I626 C628 A637 D642 E643 H646	A625-Y635 WeakPolarHBondContact CA-O 3.29Å; I626-Y635 HydrophobicContact CD1-CE1 4.08Å; I626-Y635 HydrophobicContact CG1-CD1 4.21Å; I626-Y635 HydrophobicContact CG1-CE1 3.83Å; I626-Y635 PolarHBondContact N-O 2.8Å; I626-Y635 PolarHBondContact O-N 3.13Å; C628-Y635 HydrophobicContact CB-CE1 4.04Å; Y635-A637 HydrophobicContact CE2-CB 4.06Å; Y635-A637 PolarHBondContact O-N 3.19Å; Y635-D642 HydrophobicContact CD2-CB 4.44Å; Y635-E643 HydrophobicContact CE2-CB 4.46Å; Y635-H646 HydrophobicContact CD1-CB 4.18Å; Y635-H646 AromaticContact CD1-CG 3.91Å; Y635-H646 HydrophobicContact CD2-CB 3.79Å; Y635-H646 HydrophobicContact CE1-CB 4.49Å; Y635-H646 AromaticContact CE1-CD2 3.99Å; Y635-H646 AromaticContact CE1-CE1 3.95Å; Y635-H646 AromaticContact CE1-CG 3.82Å; Y635-H646 AromaticContact CE1-ND1 3.8Å; Y635-H646 HydrophobicContact CE2-CB 4.12Å; Y635-H646 AromaticContact CE2-CG 3.97Å; Y635-H646 AromaticContact CE2-ND1 3.69Å; Y635-H646 HydrophobicContact CG-CB 3.81Å; Y635-H646 AromaticContact CZ-CE1 3.79Å; Y635-H646 AromaticContact CZ-CG 3.84Å; Y635-H646 AromaticContact CZ-ND1 3.43Å
636	T	91.8	Very high	90.5	Very high	40 Å²	40	62.3 Å²	62.3	25%	0.245	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	102.1	-176.8	-40.2	0	0	0	0	110.4	S638 N639 D642	T636-S638 WeakPolarHBondContact CG2-OG 3.39Å; T636-S638 PolarHBondContact O-N 2.75Å; T636-N639 HydrophobicContact CG2-CB 4.42Å; T636-N639 PolarHBondContact O-N 3.31Å; T636-D642 WeakPolarHBondContact CA-OD2 3.38Å; T636-D642 WeakPolarHBondContact CB-OD2 3.36Å; T636-D642 PolarHBondContact N-OD2 2.71Å; T636-D642 WeakPolarHBondContact O-CB 3.44Å; T636-D642 PolarHBondContact OG1-OD2 3.5Å
637	A	87.1	Confident	90.7	Very high	16 Å²	16	64.4 Å²	64.4	13%	0.132	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	6.8	-176.3	0	0	0	0	0	115.3	I626 Y635	I626-A637 HydrophobicContact CD1-CB 3.58Å; I626-A637 HydrophobicContact CG1-CB 3.95Å; Y635-A637 HydrophobicContact CE2-CB 4.06Å; Y635-A637 PolarHBondContact O-N 3.19Å
638	S	85.5	Confident	90.7	Very high	56 Å²	56	67.1 Å²	67.1	39%	0.392	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-6.8	166.4	63.9	0	0	0	0	113.3	T636	T636-S638 WeakPolarHBondContact CG2-OG 3.39Å; T636-S638 PolarHBondContact O-N 2.75Å
639	N	88.1	Confident	90.6	Very high	61 Å²	61	68 Å²	68	33%	0.326	37%	0.367	S	S	.	.			trans	-107.8	118.7	-179.7	-161.4	45.6	0	0	0	109.7	T636 E641 D642 E643	T636-N639 HydrophobicContact CG2-CB 4.42Å; T636-N639 PolarHBondContact O-N 3.31Å; N639-E641 VanDerWaalsContact C-N 3.3Å; N639-E641 PolarHBondContact O-N 3.18Å; N639-E641 PolarHBondContact OD1-OE2 2.8Å; N639-D642 HydrophobicContact CB-CB 4.06Å; N639-D642 PolarHBondContact ND2-OD1 3.3Å; N639-D642 PolarHBondContact O-N 3.19Å; N639-E643 PolarHBondContact O-N 2.77Å; N639-E643 VanDerWaalsContact O-N 3.1Å
640	P	88.9	Confident	90.7	Very high	79 Å²	79	63 Å²	63	51%	0.513	34%	0.339	S	S	.	.	H	α-helix	trans	-68.6	-29.1	-175.3	24.6	-29.1	0	0	0	112.5	E643 T644	P640-E643 PolarHBondContact O-N 2.99Å; P640-T644 WeakPolarHBondContact O-CG2 3.44Å; P640-T644 PolarHBondContact O-N 3.14Å; P640-T644 PolarHBondContact O-OG1 2.95Å
641	E	91.4	Very high	90.8	Very high	108 Å²	108	62.9 Å²	62.9	51%	0.505	34%	0.339	S	S	.	.	H	α-helix	trans	-61.7	-50	172.9	-69.5	63.3	-141.5	0	0	110.6	N639 E643 T644 Q645	N639-E641 VanDerWaalsContact C-N 3.3Å; N639-E641 PolarHBondContact O-N 3.18Å; N639-E641 PolarHBondContact OD1-OE2 2.8Å; E641-E643 VanDerWaalsContact C-N 3.33Å; E641-E643 PolarHBondContact O-N 3.23Å; E641-T644 PolarHBondContact O-N 3.42Å; E641-T644 PolarHBondContact O-OG1 3.17Å; E641-Q645 WeakPolarHBondContact O-CG 3.12Å; E641-Q645 PolarHBondContact O-N 2.93Å
642	D	92.8	Very high	90.9	Very high	36 Å²	36	66.4 Å²	66.4	19%	0.193	36%	0.355	C	S	.	.	H	α-helix	trans	-58.1	-42.2	174.5	-74.7	44.5	0	0	0	112	Y635 T636 N639 Q645 H646	Y635-D642 HydrophobicContact CD2-CB 4.44Å; T636-D642 WeakPolarHBondContact CA-OD2 3.38Å; T636-D642 WeakPolarHBondContact CB-OD2 3.36Å; T636-D642 PolarHBondContact N-OD2 2.71Å; T636-D642 WeakPolarHBondContact O-CB 3.44Å; T636-D642 PolarHBondContact OG1-OD2 3.5Å; N639-D642 HydrophobicContact CB-CB 4.06Å; N639-D642 PolarHBondContact ND2-OD1 3.3Å; N639-D642 PolarHBondContact O-N 3.19Å; D642-Q645 PolarHBondContact O-N 3.3Å; D642-H646 WeakPolarHBondContact O-CB 3.4Å; D642-H646 PolarHBondContact O-N 3.44Å
643	E	91.1	Very high	91	Very high	101 Å²	101	65.6 Å²	65.6	47%	0.472	35%	0.345	S	S	.	.	H	α-helix	trans	-68.5	-37.6	-179.9	-174.6	163.9	-127.5	0	0	112.2	Y635 N639 P640 E641 L647	Y635-E643 HydrophobicContact CE2-CB 4.46Å; N639-E643 PolarHBondContact O-N 2.77Å; N639-E643 VanDerWaalsContact O-N 3.1Å; P640-E643 PolarHBondContact O-N 2.99Å; E641-E643 VanDerWaalsContact C-N 3.33Å; E641-E643 PolarHBondContact O-N 3.23Å; E643-L647 WeakPolarHBondContact O-CB 3.4Å; E643-L647 PolarHBondContact O-N 3.46Å
644	T	93.3	Very high	91.1	Very high	85 Å²	85	66.2 Å²	66.2	52%	0.521	35%	0.349	S	S	.	.	H	α-helix	trans	-69.4	-40.9	174.2	58.6	0	0	0	0	112.2	P640 E641 L647 L648	P640-T644 WeakPolarHBondContact O-CG2 3.44Å; P640-T644 PolarHBondContact O-N 3.14Å; P640-T644 PolarHBondContact O-OG1 2.95Å; E641-T644 PolarHBondContact O-N 3.42Å; E641-T644 PolarHBondContact O-OG1 3.17Å; T644-L647 PolarHBondContact O-N 2.97Å; T644-L648 WeakPolarHBondContact O-CG 3.47Å; T644-L648 PolarHBondContact O-N 2.94Å
645	Q	92.4	Very high	91.1	Very high	122 Å²	122	64.1 Å²	64.1	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-62.3	-45.3	173	-70.7	-177.5	15.7	0	0	111.5	E641 D642 L647 L648 F649	E641-Q645 WeakPolarHBondContact O-CG 3.12Å; E641-Q645 PolarHBondContact O-N 2.93Å; D642-Q645 PolarHBondContact O-N 3.3Å; Q645-L647 VanDerWaalsContact C-N 3.33Å; Q645-L647 PolarHBondContact O-N 3.24Å; Q645-L648 PolarHBondContact O-N 3.45Å; Q645-F649 PolarHBondContact O-N 2.78Å
646	H	92.7	Very high	91.1	Very high	18 Å²	18	63.1 Å²	63.1	8%	0.083	34%	0.342	C	S	.	.	H	α-helix	trans	-55.3	-47.5	172.5	162.7	-117.9	0	0	0	111.1	C628 M633 Y635 D642 L648 F649 H650	C628-H646 WeakPolarHBondContact CB-NE2 3.4Å; C628-H646 PolarHBondContact SG-NE2 2.96Å; M633-H646 HydrophobicContact CE-CB 3.77Å; Y635-H646 HydrophobicContact CD1-CB 4.18Å; Y635-H646 AromaticContact CD1-CG 3.91Å; Y635-H646 HydrophobicContact CD2-CB 3.79Å; Y635-H646 HydrophobicContact CE1-CB 4.49Å; Y635-H646 AromaticContact CE1-CD2 3.99Å; Y635-H646 AromaticContact CE1-CE1 3.95Å; Y635-H646 AromaticContact CE1-CG 3.82Å; Y635-H646 AromaticContact CE1-ND1 3.8Å; Y635-H646 HydrophobicContact CE2-CB 4.12Å; Y635-H646 AromaticContact CE2-CG 3.97Å; Y635-H646 AromaticContact CE2-ND1 3.69Å; Y635-H646 HydrophobicContact CG-CB 3.81Å; Y635-H646 AromaticContact CZ-CE1 3.79Å; Y635-H646 AromaticContact CZ-CG 3.84Å; Y635-H646 AromaticContact CZ-ND1 3.43Å; D642-H646 WeakPolarHBondContact O-CB 3.4Å; D642-H646 PolarHBondContact O-N 3.44Å; H646-L648 VanDerWaalsContact C-N 3.34Å; H646-L648 PolarHBondContact O-N 2.86Å; H646-F649 PolarHBondContact O-N 2.9Å; H646-H650 AromaticContact CE1-ND1 3.82Å; H646-H650 AromaticContact NE2-CG 3.96Å; H646-H650 AromaticContact NE2-ND1 3.17Å; H646-H650 PolarHBondContact NE2-ND1 2.79Å; H646-H650 VanDerWaalsContact NE2-ND1 3.17Å; H646-H650 WeakPolarHBondContact O-CB 3.36Å; H646-H650 PolarHBondContact O-N 3.29Å
647	L	93.4	Very high	91.1	Very high	99 Å²	99	61.5 Å²	61.5	52%	0.518	33%	0.331	S	S	.	.	H	α-helix	trans	-64.2	-38	-179.4	-175.6	60.8	0	0	0	112.3	E643 T644 Q645 N651	E643-L647 WeakPolarHBondContact O-CB 3.4Å; E643-L647 PolarHBondContact O-N 3.46Å; T644-L647 PolarHBondContact O-N 2.97Å; Q645-L647 VanDerWaalsContact C-N 3.33Å; Q645-L647 PolarHBondContact O-N 3.24Å; L647-N651 WeakPolarHBondContact CD1-ND2 3.29Å; L647-N651 WeakPolarHBondContact O-CB 3.41Å; L647-N651 PolarHBondContact O-N 2.79Å; L647-N651 VanDerWaalsContact O-N 3.14Å; L647-N651 PolarHBondContact O-ND2 2.97Å
648	L	91.6	Very high	91.5	Very high	128 Å²	128	67.1 Å²	67.1	67%	0.67	35%	0.353	S	S	*	.	H	α-helix	trans	-64.2	-53.3	174.5	-70	170.5	0	0	0	111.3	T644 Q645 H646 H650 N651 Q652	T644-L648 WeakPolarHBondContact O-CG 3.47Å; T644-L648 PolarHBondContact O-N 2.94Å; Q645-L648 PolarHBondContact O-N 3.45Å; H646-L648 VanDerWaalsContact C-N 3.34Å; H646-L648 PolarHBondContact O-N 2.86Å; L648-H650 PolarHBondContact O-N 2.87Å; L648-N651 PolarHBondContact O-N 2.93Å; L648-Q652 PolarHBondContact O-N 2.79Å
649	F	90.8	Very high	91.9	Very high	31 Å²	31	65 Å²	65	14%	0.136	34%	0.336	C	S	.	.	H	α-helix	trans	-59.7	-44.3	177.8	177.1	-96	0	0	0	111.9	C631 M633 Q645 H646 N651 Q652 F653	C631-F649 HydrophobicContact CB-CD1 4.18Å; C631-F649 HydrophobicContact CB-CE1 3.99Å; M633-F649 HydrophobicContact CB-CD1 3.76Å; M633-F649 HydrophobicContact CB-CE1 3.85Å; M633-F649 HydrophobicContact CG-CD1 3.96Å; M633-F649 HydrophobicContact CG-CE1 4.21Å; M633-F649 HydrophobicContact CG-CG 4.47Å; M633-F649 HydrophobicContact SD-CB 3.62Å; M633-F649 HydrophobicContact SD-CD1 3.6Å; M633-F649 HydrophobicContact SD-CD2 4.49Å; M633-F649 HydrophobicContact SD-CE1 4.4Å; M633-F649 HydrophobicContact SD-CG 3.65Å; Q645-F649 PolarHBondContact O-N 2.78Å; H646-F649 PolarHBondContact O-N 2.9Å; F649-N651 PolarHBondContact O-N 2.85Å; F649-Q652 PolarHBondContact O-N 3.43Å; F649-F653 HydrophobicContact CD1-CB 4.45Å; F649-F653 HydrophobicContact CE1-CB 4.21Å; F649-F653 HydrophobicContact CE1-CD2 4.48Å; F649-F653 HydrophobicContact CE1-CG 4.45Å; F649-F653 HydrophobicContact CZ-CB 4.47Å; F649-F653 HydrophobicContact CZ-CD2 4.35Å; F649-F653 WeakPolarHBondContact O-CB 3.25Å; F649-F653 PolarHBondContact O-N 2.89Å
650	H	92.7	Very high	92	Very high	35 Å²	35	67 Å²	67	16%	0.162	35%	0.351	C	S	.	.	H	α-helix	trans	-59	-45.5	179.5	-170.9	127.4	0	0	0	111.8	C631 H646 L648 I654	C631-H650 HydrophobicContact CB-CB 4.4Å; H646-H650 AromaticContact CE1-ND1 3.82Å; H646-H650 AromaticContact NE2-CG 3.96Å; H646-H650 AromaticContact NE2-ND1 3.17Å; H646-H650 PolarHBondContact NE2-ND1 2.79Å; H646-H650 VanDerWaalsContact NE2-ND1 3.17Å; H646-H650 WeakPolarHBondContact O-CB 3.36Å; H646-H650 PolarHBondContact O-N 3.29Å; L648-H650 PolarHBondContact O-N 2.87Å; H650-I654 WeakPolarHBondContact O-CB 3.33Å; H650-I654 WeakPolarHBondContact O-CG1 3.43Å; H650-I654 PolarHBondContact O-N 3.34Å
651	N	92.4	Very high	92.1	Very high	89 Å²	89	64.8 Å²	64.8	48%	0.476	34%	0.342	S	S	.	.	H	α-helix	trans	-68.3	-39.3	178.6	-76.8	-53	0	0	0	112.2	L647 L648 F649 S655	L647-N651 WeakPolarHBondContact CD1-ND2 3.29Å; L647-N651 WeakPolarHBondContact O-CB 3.41Å; L647-N651 PolarHBondContact O-N 2.79Å; L647-N651 VanDerWaalsContact O-N 3.14Å; L647-N651 PolarHBondContact O-ND2 2.97Å; L648-N651 PolarHBondContact O-N 2.93Å; F649-N651 PolarHBondContact O-N 2.85Å; N651-S655 WeakPolarHBondContact O-CB 3.31Å; N651-S655 PolarHBondContact O-N 3.21Å; N651-S655 PolarHBondContact O-OG 2.93Å
652	Q	90.8	Very high	92.1	Very high	75 Å²	75	61.5 Å²	61.5	35%	0.35	33%	0.325	S	S	.	.	H	α-helix	trans	-64.9	-51	173.6	-173.4	176.4	8.9	0	0	110.9	L648 F649 I654 S655 A656 N700	L648-Q652 PolarHBondContact O-N 2.79Å; F649-Q652 PolarHBondContact O-N 3.43Å; Q652-I654 PolarHBondContact O-N 3.19Å; Q652-S655 PolarHBondContact O-N 3.27Å; Q652-A656 VanDerWaalsContact O-CB 3.31Å; Q652-A656 WeakPolarHBondContact O-CB 3.22Å; Q652-A656 PolarHBondContact O-N 2.75Å; Q652-N700 PolarHBondContact NE2-ND2 3.1Å
653	F	92	Very high	92	Very high	5 Å²	5	70.3 Å²	70.3	2%	0.022	36%	0.362	C	S	.	.	H	α-helix	trans	-55	-53	178.6	175.7	-93.8	0	0	0	111.8	C631 F649 S655 A656 V657 M697 W782 F784	C631-F653 HydrophobicContact CB-CB 4.24Å; C631-F653 HydrophobicContact CB-CD1 3.59Å; C631-F653 HydrophobicContact CB-CE1 4.18Å; C631-F653 HydrophobicContact CB-CG 3.96Å; F649-F653 HydrophobicContact CD1-CB 4.45Å; F649-F653 HydrophobicContact CE1-CB 4.21Å; F649-F653 HydrophobicContact CE1-CD2 4.48Å; F649-F653 HydrophobicContact CE1-CG 4.45Å; F649-F653 HydrophobicContact CZ-CB 4.47Å; F649-F653 HydrophobicContact CZ-CD2 4.35Å; F649-F653 WeakPolarHBondContact O-CB 3.25Å; F649-F653 PolarHBondContact O-N 2.89Å; F653-S655 VanDerWaalsContact C-N 3.26Å; F653-S655 PolarHBondContact O-N 3.48Å; F653-A656 PolarHBondContact O-N 3.35Å; F653-A656 VanDerWaalsContact O-N 3.13Å; F653-V657 HydrophobicContact CD1-CG2 4.37Å; F653-V657 HydrophobicContact CD2-CG1 4.01Å; F653-V657 HydrophobicContact CE1-CG1 4.16Å; F653-V657 HydrophobicContact CE1-CG2 3.97Å; F653-V657 HydrophobicContact CE2-CG1 3.57Å; F653-V657 HydrophobicContact CG-CG1 4.47Å; F653-V657 HydrophobicContact CZ-CG1 3.64Å; F653-V657 HydrophobicContact CZ-CG2 4.22Å; F653-V657 WeakPolarHBondContact O-CG2 3.3Å; F653-V657 PolarHBondContact O-N 3.19Å; F653-M697 HydrophobicContact CD2-CG 4.36Å; F653-M697 HydrophobicContact CD2-SD 3.87Å; F653-M697 HydrophobicContact CE2-SD 4.28Å; F653-W782 HydrophobicContact CE2-CH2 4.13Å; F653-W782 HydrophobicContact CE2-CZ2 4.21Å; F653-F784 HydrophobicContact CE1-CD2 4.48Å; F653-F784 HydrophobicContact CE1-CE2 4.05Å; F653-F784 HydrophobicContact CE1-CZ 4.3Å; F653-F784 AromaticContact CE2-CD2 3.67Å; F653-F784 HydrophobicContact CE2-CD2 3.67Å; F653-F784 AromaticContact CE2-CE2 3.89Å; F653-F784 HydrophobicContact CE2-CE2 3.89Å; F653-F784 HydrophobicContact CE2-CG 4.47Å; F653-F784 HydrophobicContact CZ-CD1 4.47Å; F653-F784 AromaticContact CZ-CD2 3.37Å; F653-F784 HydrophobicContact CZ-CD2 3.37Å; F653-F784 HydrophobicContact CZ-CE1 4.41Å; F653-F784 AromaticContact CZ-CE2 3.33Å; F653-F784 HydrophobicContact CZ-CE2 3.33Å; F653-F784 AromaticContact CZ-CG 4Å; F653-F784 HydrophobicContact CZ-CG 4Å; F653-F784 AromaticContact CZ-CZ 3.89Å; F653-F784 HydrophobicContact CZ-CZ 3.89Å
654	I	92.3	Very high	92	Very high	60 Å²	60	73.7 Å²	73.7	31%	0.308	38%	0.375	S	S	.	.	H	α-helix	trans	-63.8	-32.5	-179.3	-71.1	-68	0	0	0	112	I630 H650 Q652 K658	I630-I654 HydrophobicContact CG2-CD1 3.54Å; I630-I654 HydrophobicContact CG2-CG1 4.06Å; H650-I654 WeakPolarHBondContact O-CB 3.33Å; H650-I654 WeakPolarHBondContact O-CG1 3.43Å; H650-I654 PolarHBondContact O-N 3.34Å; Q652-I654 PolarHBondContact O-N 3.19Å; I654-K658 VanDerWaalsContact O-CB 3.3Å; I654-K658 WeakPolarHBondContact O-CB 3.48Å; I654-K658 PolarHBondContact O-N 2.91Å
655	S	90.5	Very high	92	Very high	78 Å²	78	71.9 Å²	71.9	55%	0.545	36%	0.36	S	S	.	.	H	α-helix	trans	-72	-41.3	173.1	-58	0	0	0	0	112.2	N651 Q652 F653 K690	N651-S655 WeakPolarHBondContact O-CB 3.31Å; N651-S655 PolarHBondContact O-N 3.21Å; N651-S655 PolarHBondContact O-OG 2.93Å; Q652-S655 PolarHBondContact O-N 3.27Å; F653-S655 VanDerWaalsContact C-N 3.26Å; F653-S655 PolarHBondContact O-N 3.48Å; S655-K690 PolarHBondContact O-NZ 3.07Å
656	A	91.4	Very high	92.1	Very high	4 Å²	4	70 Å²	70	3%	0.033	35%	0.348	C	S	.	.	H	α-helix	trans	-67.2	-50	179.8	0	0	0	0	0	112	Q652 F653 K658 K690 M697	Q652-A656 VanDerWaalsContact O-CB 3.31Å; Q652-A656 WeakPolarHBondContact O-CB 3.22Å; Q652-A656 PolarHBondContact O-N 2.75Å; F653-A656 PolarHBondContact O-N 3.35Å; F653-A656 VanDerWaalsContact O-N 3.13Å; A656-K658 VanDerWaalsContact C-N 3.32Å; A656-K658 PolarHBondContact O-N 3.14Å; A656-K690 WeakPolarHBondContact O-CE 2.92Å; A656-K690 PolarHBondContact O-NZ 3.41Å; A656-M697 HydrophobicContact CB-CB 3.73Å; A656-M697 HydrophobicContact CB-CE 4.36Å; A656-M697 HydrophobicContact CB-CG 3.84Å
657	V	92.9	Very high	92.3	Very high	5 Å²	5	72.2 Å²	72.2	3%	0.03	36%	0.36	C	S	.	.	H	α-helix	trans	-74.7	-16.8	-177.9	-55.1	0	0	0	0	113.9	F653 Y659 M697 K726 V727 W782	F653-V657 HydrophobicContact CD1-CG2 4.37Å; F653-V657 HydrophobicContact CD2-CG1 4.01Å; F653-V657 HydrophobicContact CE1-CG1 4.16Å; F653-V657 HydrophobicContact CE1-CG2 3.97Å; F653-V657 HydrophobicContact CE2-CG1 3.57Å; F653-V657 HydrophobicContact CG-CG1 4.47Å; F653-V657 HydrophobicContact CZ-CG1 3.64Å; F653-V657 HydrophobicContact CZ-CG2 4.22Å; F653-V657 WeakPolarHBondContact O-CG2 3.3Å; F653-V657 PolarHBondContact O-N 3.19Å; V657-Y659 PolarHBondContact O-N 3.25Å; V657-Y659 VanDerWaalsContact O-N 3.14Å; V657-M697 HydrophobicContact CG1-CE 4.04Å; V657-K726 CarbonylContact O-C 3.44Å; V657-K726 WeakPolarHBondContact O-CA 3.43Å; V657-V727 WeakPolarHBondContact CB-O 3.48Å; V657-V727 WeakPolarHBondContact CG1-O 3.19Å; V657-V727 PolarHBondContact O-N 3.2Å; V657-W782 HydrophobicContact CG1-CH2 4.44Å
658	K	93.9	Very high	92.4	Very high	135 Å²	135	69.3 Å²	69.3	59%	0.587	35%	0.345	S	S	*	.	B	Isolated β-bridge	trans	-65	114.6	-179.7	-178.9	174.4	-179	176.6	0	111.6	I654 A656	I654-K658 VanDerWaalsContact O-CB 3.3Å; I654-K658 WeakPolarHBondContact O-CB 3.48Å; I654-K658 PolarHBondContact O-N 2.91Å; A656-K658 VanDerWaalsContact C-N 3.32Å; A656-K658 PolarHBondContact O-N 3.14Å
659	Y	94.6	Very high	92.6	Very high	10 Å²	10	64.3 Å²	64.3	4%	0.039	32%	0.322	C	S	.	.			trans	-99.7	136.1	172.6	-164.9	-106.7	0	0	0	110.3	V657 G661 W662 E665 I677 I721 K725 V727	V657-Y659 PolarHBondContact O-N 3.25Å; V657-Y659 VanDerWaalsContact O-N 3.14Å; Y659-G661 VanDerWaalsContact CE1-CA 3.49Å; Y659-W662 AromaticContact CE2-CD2 3.93Å; Y659-W662 HydrophobicContact CE2-CD2 3.93Å; Y659-W662 AromaticContact CE2-CE2 3.54Å; Y659-W662 HydrophobicContact CE2-CE3 4.34Å; Y659-W662 HydrophobicContact CE2-CH2 4.06Å; Y659-W662 AromaticContact CE2-CZ2 3.62Å; Y659-W662 HydrophobicContact CE2-CZ2 3.62Å; Y659-W662 HydrophobicContact CE2-CZ3 4.4Å; Y659-W662 AromaticContact CE2-NE1 3.9Å; Y659-W662 AromaticContact CZ-CD2 3.84Å; Y659-W662 AromaticContact CZ-CE2 3.94Å; Y659-E665 WeakPolarHBondContact CE1-OE1 3.43Å; Y659-E665 VanDerWaalsContact OH-CD 3.31Å; Y659-E665 WeakPolarHBondContact OH-CG 3.35Å; Y659-E665 PolarHBondContact OH-OE1 3.05Å; Y659-I677 HydrophobicContact CE2-CD1 4.12Å; Y659-I721 HydrophobicContact CD1-CD1 3.84Å; Y659-I721 HydrophobicContact CD1-CG1 4.28Å; Y659-I721 HydrophobicContact CD1-CG2 3.89Å; Y659-I721 HydrophobicContact CD2-CD1 4.05Å; Y659-I721 HydrophobicContact CD2-CG1 4.33Å; Y659-I721 HydrophobicContact CE1-CD1 3.54Å; Y659-I721 HydrophobicContact CE1-CG1 4.46Å; Y659-I721 HydrophobicContact CE2-CD1 3.78Å; Y659-I721 HydrophobicContact CG-CD1 4.08Å; Y659-I721 HydrophobicContact CG-CG1 4.21Å; Y659-I721 HydrophobicContact CG-CG2 4.22Å; Y659-K725 WeakPolarHBondContact CA-O 3.33Å; Y659-K725 VanDerWaalsContact CB-O 3.25Å; Y659-K725 WeakPolarHBondContact CB-O 3.47Å; Y659-K725 PolarHBondContact N-O 2.79Å; Y659-K725 WeakPolarHBondContact O-CB 3.47Å; Y659-V727 HydrophobicContact CD2-CG2 4.3Å
660	V	90.9	Very high	92.9	Very high	105 Å²	105	69.3 Å²	69.3	64%	0.636	35%	0.346	S	S	*	.			trans	-99.8	-13.5	-176.7	-68.8	0	0	0	0	113.8
661	G	90.1	Very high	93.1	Very high	32 Å²	32	70.9 Å²	70.9	33%	0.33	35%	0.351	S	S	.	.			trans	81.7	138.3	-162.9	0	0	0	0	0	111.3	Y659 E665	Y659-G661 VanDerWaalsContact CE1-CA 3.49Å; G661-E665 WeakPolarHBondContact CA-OE1 3.44Å
662	W	92.8	Very high	93.2	Very high	38 Å²	38	72.7 Å²	72.7	14%	0.144	37%	0.367	C	S	.	.			trans	-116.5	151.5	176.9	-57.3	-27.6	0	0	0	110.9	Y659 K664 E665 I677 V679 Y686 A687 K690	Y659-W662 AromaticContact CE2-CD2 3.93Å; Y659-W662 HydrophobicContact CE2-CD2 3.93Å; Y659-W662 AromaticContact CE2-CE2 3.54Å; Y659-W662 HydrophobicContact CE2-CE3 4.34Å; Y659-W662 HydrophobicContact CE2-CH2 4.06Å; Y659-W662 AromaticContact CE2-CZ2 3.62Å; Y659-W662 HydrophobicContact CE2-CZ2 3.62Å; Y659-W662 HydrophobicContact CE2-CZ3 4.4Å; Y659-W662 AromaticContact CE2-NE1 3.9Å; Y659-W662 AromaticContact CZ-CD2 3.84Å; Y659-W662 AromaticContact CZ-CE2 3.94Å; W662-K664 PolarHBondContact O-N 3.47Å; W662-E665 HydrophobicContact CB-CG 3.82Å; W662-E665 HydrophobicContact CE3-CG 4.43Å; W662-E665 PolarHBondContact N-OE1 2.85Å; W662-I677 HydrophobicContact CE3-CD1 4.15Å; W662-I677 HydrophobicContact CH2-CD1 4.07Å; W662-I677 HydrophobicContact CZ3-CD1 3.59Å; W662-V679 HydrophobicContact CH2-CG2 3.95Å; W662-V679 HydrophobicContact CZ3-CG2 3.92Å; W662-Y686 HydrophobicContact CB-CE2 3.9Å; W662-Y686 AromaticContact CD1-CD2 3.89Å; W662-Y686 AromaticContact CD1-CE2 3.73Å; W662-Y686 HydrophobicContact CD2-CD2 4.1Å; W662-Y686 AromaticContact CD2-CE2 3.61Å; W662-Y686 HydrophobicContact CD2-CE2 3.61Å; W662-Y686 AromaticContact CE2-CD2 3.95Å; W662-Y686 AromaticContact CE2-CE2 3.96Å; W662-Y686 HydrophobicContact CE3-CE2 4.16Å; W662-Y686 HydrophobicContact CG-CD2 4.08Å; W662-Y686 AromaticContact CG-CE2 3.48Å; W662-Y686 HydrophobicContact CG-CE2 3.48Å; W662-Y686 VanDerWaalsContact CG-CE2 3.48Å; W662-Y686 AromaticContact NE1-CD2 3.8Å; W662-Y686 AromaticContact NE1-CE2 4Å; W662-A687 HydrophobicContact CE3-CB 4.24Å; W662-A687 HydrophobicContact CH2-CB 3.53Å; W662-A687 HydrophobicContact CZ2-CB 3.99Å; W662-A687 HydrophobicContact CZ3-CB 3.66Å; W662-K690 HydrophobicContact CZ2-CB 3.95Å; W662-K690 HydrophobicContact CZ2-CG 4.16Å
663	K	89.2	Confident	93.4	Very high	222 Å²	222	71.3 Å²	71.3	97%	0.965	36%	0.362	S	S	*	.	S	Bend	trans	-65.9	-24.1	178.4	-67.5	-172.6	177.6	-175.4	0	113.5
664	K	91	Very high	93.6	Very high	172 Å²	172	71.2 Å²	71.2	75%	0.748	36%	0.363	S	S	*	.	S	Bend	trans	-134.7	113.2	174.4	-172.1	178.7	-178	-176.8	0	107.1	W662	W662-K664 PolarHBondContact O-N 3.47Å
665	E	94.1	Very high	93.9	Very high	46 Å²	46	70.9 Å²	70.9	22%	0.215	36%	0.359	C	S	.	.			trans	-119.2	130.3	177	-67.1	177.4	-166	0	0	107.9	Y659 G661 W662 I667 K675 I677	Y659-E665 WeakPolarHBondContact CE1-OE1 3.43Å; Y659-E665 VanDerWaalsContact OH-CD 3.31Å; Y659-E665 WeakPolarHBondContact OH-CG 3.35Å; Y659-E665 PolarHBondContact OH-OE1 3.05Å; G661-E665 WeakPolarHBondContact CA-OE1 3.44Å; W662-E665 HydrophobicContact CB-CG 3.82Å; W662-E665 HydrophobicContact CE3-CG 4.43Å; W662-E665 PolarHBondContact N-OE1 2.85Å; E665-I667 HydrophobicContact CB-CG1 4.15Å; E665-I667 PolarHBondContact O-N 2.54Å; E665-K675 WeakPolarHBondContact OE2-CE 3.47Å; E665-K675 IonicContact OE2-NZ 2.64Å; E665-K675 PolarHBondContact OE2-NZ 2.73Å; E665-I677 HydrophobicContact CB-CG2 4.33Å
666	R	95.1	Very high	94.2	Very high	82 Å²	82	67.2 Å²	67.2	31%	0.309	33%	0.333	S	S	.	.			trans	-91.9	79.5	174.8	-175.5	-168.3	-64.3	92	-1.9	108.2	I677 M678 D683	R666-I677 CarbonylContact O-C 3.55Å; R666-I677 VanDerWaalsContact O-CA 3.27Å; R666-I677 WeakPolarHBondContact O-CA 3.35Å; R666-M678 WeakPolarHBondContact CB-O 3.33Å; R666-M678 PolarHBondContact NH1-O 2.89Å; R666-M678 PolarHBondContact O-N 2.79Å; R666-D683 IonicContact CZ-OD1 3.5Å; R666-D683 IonicContact CZ-OD2 3.56Å; R666-D683 IonicContact NH1-OD1 3.29Å; R666-D683 PolarHBondContact NH1-OD1 2.78Å; R666-D683 IonicContact NH1-OD2 2.69Å; R666-D683 PolarHBondContact NH1-OD2 2.87Å; R666-D683 IonicContact NH2-OD1 2.76Å; R666-D683 PolarHBondContact NH2-OD1 3.19Å; R666-D683 IonicContact NH2-OD2 3.52Å
667	I	96.1	Very high	94.5	Very high	65 Å²	65	67 Å²	67	33%	0.333	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	132	177.8	-57	166.3	0	0	0	108.6	E665 E670 K675 I676 I677	E665-I667 HydrophobicContact CB-CG1 4.15Å; E665-I667 PolarHBondContact O-N 2.54Å; I667-E670 HydrophobicContact CG2-CG 3.73Å; I667-K675 HydrophobicContact CD1-CD 4.07Å; I667-K675 HydrophobicContact CG1-CD 4.27Å; I667-I676 WeakPolarHBondContact CA-O 3.42Å; I667-I677 HydrophobicContact CG1-CG2 3.92Å
668	L	95.6	Very high	94.6	Very high	38 Å²	38	67.5 Å²	67.5	20%	0.199	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-37.5	175.2	-60.2	-167.4	0	0	0	112.2	I676 M678 L718 C799 N803	L668-I676 HydrophobicContact CB-CG2 4.44Å; L668-I676 PolarHBondContact N-O 3.23Å; L668-M678 HydrophobicContact CD1-CB 3.77Å; L668-M678 HydrophobicContact CD1-SD 4.36Å; L668-M678 HydrophobicContact CD2-CB 4.04Å; L668-M678 HydrophobicContact CD2-CE 4.25Å; L668-M678 HydrophobicContact CG-CB 3.89Å; L668-L718 HydrophobicContact CD1-CD2 3.83Å; L668-L718 HydrophobicContact CD1-CG 4.04Å; L668-C799 HydrophobicContact CB-CB 4.22Å; L668-C799 HydrophobicContact CD1-CB 3.96Å; L668-N803 HydrophobicContact CD1-CB 3.95Å; L668-N803 HydrophobicContact CD2-CB 4.28Å
669	A	96	Very high	94.7	Very high	23 Å²	23	61.2 Å²	61.2	19%	0.19	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	151.2	179.3	0	0	0	0	0	111	Y671 K675 I676 C799	A669-Y671 HydrophobicContact CB-CE2 3.71Å; A669-K675 WeakPolarHBondContact O-CA 3.29Å; A669-I676 PolarHBondContact O-N 3.11Å; A669-C799 VanDerWaalsContact CB-SG 3.55Å
670	E	96.8	Very high	94.7	Very high	137 Å²	137	62.5 Å²	62.5	64%	0.64	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.5	144	174.9	-57.7	-166.9	152.5	0	0	109.9	I667 K675	I667-E670 HydrophobicContact CG2-CG 3.73Å; E670-K675 HydrophobicContact CB-CB 4.47Å; E670-K675 HydrophobicContact CG-CB 4.09Å
671	Y	95.9	Very high	94.7	Very high	68 Å²	68	59.6 Å²	59.6	27%	0.267	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	161.8	-176.6	-58.3	-78.9	0	0	0	110.2	A669 D673 G674 I676 F720 R795	A669-Y671 HydrophobicContact CB-CE2 3.71Å; Y671-D673 VanDerWaalsContact CB-OD1 3.29Å; Y671-D673 WeakPolarHBondContact CB-OD1 3.27Å; Y671-D673 PolarHBondContact O-N 2.94Å; Y671-D673 VanDerWaalsContact O-N 3.13Å; Y671-G674 CarbonylContact C-O 3.48Å; Y671-G674 WeakPolarHBondContact CA-O 3.25Å; Y671-G674 WeakPolarHBondContact CB-O 3.04Å; Y671-G674 PolarHBondContact N-O 2.72Å; Y671-G674 PolarHBondContact O-N 3.38Å; Y671-I676 HydrophobicContact CE2-CD1 3.75Å; Y671-I676 HydrophobicContact CE2-CG1 4.08Å; Y671-F720 AromaticContact CD2-CE2 3.85Å; Y671-F720 HydrophobicContact CD2-CE2 3.85Å; Y671-F720 HydrophobicContact CD2-CZ 4.2Å; Y671-F720 HydrophobicContact CE2-CE2 4.29Å; Y671-R795 VanDerWaalsContact CE1-CD 3.46Å; Y671-R795 HydrophobicContact CE1-CG 4.06Å; Y671-R795 HydrophobicContact CE2-CB 4.17Å; Y671-R795 HydrophobicContact CE2-CG 4.41Å; Y671-R795 VanDerWaalsContact CG-NH1 3.3Å
672	P	95.9	Very high	94.8	Very high	126 Å²	126	65.2 Å²	65.2	82%	0.818	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.3	179.6	-25.6	35.8	0	0	0	115.1	N723	P672-N723 PolarHBondContact O-ND2 2.99Å
673	D	95.4	Very high	94.9	Very high	47 Å²	47	64.8 Å²	64.8	25%	0.251	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-3.4	-178.9	61.8	-29.6	0	0	0	114.3	Y671 N723 R795	Y671-D673 VanDerWaalsContact CB-OD1 3.29Å; Y671-D673 WeakPolarHBondContact CB-OD1 3.27Å; Y671-D673 PolarHBondContact O-N 2.94Å; Y671-D673 VanDerWaalsContact O-N 3.13Å; D673-N723 PolarHBondContact O-N 3.33Å; D673-R795 IonicContact OD1-CZ 2.76Å; D673-R795 IonicContact OD1-NH1 2.71Å; D673-R795 PolarHBondContact OD1-NH1 2.82Å; D673-R795 IonicContact OD1-NH2 3.55Å; D673-R795 IonicContact OD2-CZ 3.25Å; D673-R795 IonicContact OD2-NH1 2.59Å; D673-R795 PolarHBondContact OD2-NH1 3.2Å; D673-R795 IonicContact OD2-NH2 3.88Å; D673-R795 PolarHBondContact OD2-NH2 3.12Å
674	G	96.1	Very high	95.1	Very high	3 Å²	3	57.1 Å²	57.1	3%	0.031	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.5	-166.4	179.2	0	0	0	0	0	113.6	Y671 I721 N723	Y671-G674 CarbonylContact C-O 3.48Å; Y671-G674 WeakPolarHBondContact CA-O 3.25Å; Y671-G674 WeakPolarHBondContact CB-O 3.04Å; Y671-G674 PolarHBondContact N-O 2.72Å; Y671-G674 PolarHBondContact O-N 3.38Å; G674-I721 CarbonylContact C-O 3.54Å; G674-I721 WeakPolarHBondContact CA-O 3.36Å; G674-N723 WeakPolarHBondContact CA-OD1 3.4Å; G674-N723 PolarHBondContact N-OD1 3.17Å
675	K	97	Very high	95.2	Very high	53 Å²	53	57.6 Å²	57.6	23%	0.23	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154.2	-176.8	66.3	-174.2	-171.8	174.9	0	112.8	E665 I667 A669 E670 I721	E665-K675 WeakPolarHBondContact OE2-CE 3.47Å; E665-K675 IonicContact OE2-NZ 2.64Å; E665-K675 PolarHBondContact OE2-NZ 2.73Å; I667-K675 HydrophobicContact CD1-CD 4.07Å; I667-K675 HydrophobicContact CG1-CD 4.27Å; A669-K675 WeakPolarHBondContact O-CA 3.29Å; E670-K675 HydrophobicContact CB-CB 4.47Å; E670-K675 HydrophobicContact CG-CB 4.09Å; K675-I721 PolarHBondContact N-O 2.89Å; K675-I721 PolarHBondContact O-N 3.48Å
676	I	97.8	Very high	95.1	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.4	177.7	-63.4	178.4	0	0	0	108.8	I667 L668 A669 Y671 L718 L719 F720 R795 M796 C799	I667-I676 WeakPolarHBondContact CA-O 3.42Å; L668-I676 HydrophobicContact CB-CG2 4.44Å; L668-I676 PolarHBondContact N-O 3.23Å; A669-I676 PolarHBondContact O-N 3.11Å; Y671-I676 HydrophobicContact CE2-CD1 3.75Å; Y671-I676 HydrophobicContact CE2-CG1 4.08Å; I676-L718 HydrophobicContact CG2-CB 4.32Å; I676-L718 HydrophobicContact CG2-CD2 4.15Å; I676-L718 HydrophobicContact CG2-CG 4.37Å; I676-L719 WeakPolarHBondContact CA-O 3.43Å; I676-F720 HydrophobicContact CD1-CD2 3.72Å; I676-F720 HydrophobicContact CD1-CE2 4.14Å; I676-F720 HydrophobicContact CG1-CB 4.33Å; I676-F720 HydrophobicContact CG1-CD2 3.37Å; I676-F720 HydrophobicContact CG1-CE2 3.91Å; I676-F720 HydrophobicContact CG1-CG 4.1Å; I676-R795 HydrophobicContact CD1-CB 3.99Å; I676-M796 HydrophobicContact CD1-CB 4.5Å; I676-M796 HydrophobicContact CD1-CG 3.84Å; I676-M796 HydrophobicContact CG1-CG 4.46Å; I676-C799 HydrophobicContact CD1-CB 4.39Å; I676-C799 HydrophobicContact CG2-CB 4.11Å
677	I	96.9	Very high	95.1	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	155.1	169.9	65	164.6	0	0	0	110.5	Y659 W662 E665 R666 I667 L718 L719 I721	Y659-I677 HydrophobicContact CE2-CD1 4.12Å; W662-I677 HydrophobicContact CE3-CD1 4.15Å; W662-I677 HydrophobicContact CH2-CD1 4.07Å; W662-I677 HydrophobicContact CZ3-CD1 3.59Å; E665-I677 HydrophobicContact CB-CG2 4.33Å; R666-I677 CarbonylContact O-C 3.55Å; R666-I677 VanDerWaalsContact O-CA 3.27Å; R666-I677 WeakPolarHBondContact O-CA 3.35Å; I667-I677 HydrophobicContact CG1-CG2 3.92Å; I677-L718 CarbonylContact O-C 3.53Å; I677-L718 VanDerWaalsContact O-CA 3.29Å; I677-L718 WeakPolarHBondContact O-CA 3.46Å; I677-L719 HydrophobicContact CD1-CB 4.49Å; I677-L719 HydrophobicContact CD1-CD1 4.44Å; I677-L719 HydrophobicContact CG1-CB 3.94Å; I677-L719 PolarHBondContact N-O 3.49Å; I677-L719 PolarHBondContact O-N 3.12Å; I677-I721 HydrophobicContact CD1-CD1 3.62Å; I677-I721 HydrophobicContact CG1-CD1 3.73Å; I677-I721 HydrophobicContact CG2-CD1 4.03Å
678	M	96.4	Very high	94.9	Very high	14 Å²	14	56.5 Å²	56.5	7%	0.069	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	131.5	171.3	177	171.7	70.9	0	0	111.2	R666 L668 L680 K716 T717 L718 N803	R666-M678 WeakPolarHBondContact CB-O 3.33Å; R666-M678 PolarHBondContact NH1-O 2.89Å; R666-M678 PolarHBondContact O-N 2.79Å; L668-M678 HydrophobicContact CD1-CB 3.77Å; L668-M678 HydrophobicContact CD1-SD 4.36Å; L668-M678 HydrophobicContact CD2-CB 4.04Å; L668-M678 HydrophobicContact CD2-CE 4.25Å; L668-M678 HydrophobicContact CG-CB 3.89Å; M678-L680 HydrophobicContact CE-CD2 4.1Å; M678-L680 HydrophobicContact CG-CD2 4.19Å; M678-L680 HydrophobicContact SD-CD2 4.12Å; M678-K716 HydrophobicContact SD-CB 4.26Å; M678-K716 HydrophobicContact SD-CD 4.08Å; M678-T717 CarbonylContact C-O 3.46Å; M678-T717 WeakPolarHBondContact CA-O 3.36Å; M678-L718 HydrophobicContact CB-CD1 4.29Å; M678-L718 HydrophobicContact CB-CG 4.32Å; M678-L718 HydrophobicContact CG-CD1 3.99Å; M678-L718 HydrophobicContact SD-CD1 4.12Å; M678-N803 HydrophobicContact CE-CB 4.41Å
679	V	95.4	Very high	94.8	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.024	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	135.5	172.2	-171.9	0	0	0	0	109.2	W662 D683 A687 L688 V691 T717 L719	W662-V679 HydrophobicContact CH2-CG2 3.95Å; W662-V679 HydrophobicContact CZ3-CG2 3.92Å; V679-D683 VanDerWaalsContact CA-OD2 3.32Å; V679-D683 WeakPolarHBondContact CA-OD2 3.15Å; V679-D683 HydrophobicContact CG1-CB 4.11Å; V679-A687 HydrophobicContact CG1-CB 4.01Å; V679-L688 HydrophobicContact CG1-CD2 4.24Å; V679-V691 HydrophobicContact CB-CG2 3.9Å; V679-V691 HydrophobicContact CG1-CG2 3.93Å; V679-V691 HydrophobicContact CG2-CG2 3.87Å; V679-T717 PolarHBondContact N-O 3.15Å; V679-T717 PolarHBondContact O-N 2.93Å; V679-L719 HydrophobicContact CG2-CD1 4.45Å
680	L	94.1	Very high	94.7	Very high	37 Å²	37	60.9 Å²	60.9	19%	0.194	30%	0.304	C	S	.	.			trans	-112.3	156.8	176.2	-62	-176.9	0	0	0	109.9	M678 D682 D683 L688 K716	M678-L680 HydrophobicContact CE-CD2 4.1Å; M678-L680 HydrophobicContact CG-CD2 4.19Å; M678-L680 HydrophobicContact SD-CD2 4.12Å; L680-D682 PolarHBondContact O-N 2.77Å; L680-D682 VanDerWaalsContact O-N 3.15Å; L680-D683 PolarHBondContact N-OD2 3.38Å; L680-D683 VanDerWaalsContact O-CB 3.3Å; L680-D683 WeakPolarHBondContact O-CB 3.45Å; L680-D683 PolarHBondContact O-N 2.83Å; L680-L688 WeakPolarHBondContact O-CD2 3.45Å; L680-K716 HydrophobicContact CD2-CB 4.38Å; L680-K716 HydrophobicContact CD2-CD 3.99Å; L680-K716 HydrophobicContact CD2-CG 3.73Å
681	P	91.9	Very high	94.5	Very high	44 Å²	44	55 Å²	55	29%	0.286	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-24.4	179.2	24	-35.4	0	0	0	113.6	D683 L688 S713 T715	P681-D683 VanDerWaalsContact C-N 3.32Å; P681-L688 WeakPolarHBondContact O-CD1 3.35Å; P681-S713 WeakPolarHBondContact CG-O 3.47Å; P681-T715 VanDerWaalsContact CD-O 3.31Å; P681-T715 WeakPolarHBondContact CD-O 3.4Å
682	D	91.9	Very high	94.4	Very high	150 Å²	150	54.8 Å²	54.8	80%	0.802	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.1	177.2	-47.9	-71.8	0	0	0	114.2	L680	L680-D682 PolarHBondContact O-N 2.77Å; L680-D682 VanDerWaalsContact O-N 3.15Å
683	D	93.4	Very high	94.2	Very high	28 Å²	28	51.5 Å²	51.5	15%	0.15	25%	0.252	C	S	.	.	S	Bend	trans	-71.5	155.4	179.6	-78.1	-33.2	0	0	0	112.4	R666 V679 L680 P681 A687 L688	R666-D683 IonicContact CZ-OD1 3.5Å; R666-D683 IonicContact CZ-OD2 3.56Å; R666-D683 IonicContact NH1-OD1 3.29Å; R666-D683 PolarHBondContact NH1-OD1 2.78Å; R666-D683 IonicContact NH1-OD2 2.69Å; R666-D683 PolarHBondContact NH1-OD2 2.87Å; R666-D683 IonicContact NH2-OD1 2.76Å; R666-D683 PolarHBondContact NH2-OD1 3.19Å; R666-D683 IonicContact NH2-OD2 3.52Å; V679-D683 VanDerWaalsContact CA-OD2 3.32Å; V679-D683 WeakPolarHBondContact CA-OD2 3.15Å; V679-D683 HydrophobicContact CG1-CB 4.11Å; L680-D683 PolarHBondContact N-OD2 3.38Å; L680-D683 VanDerWaalsContact O-CB 3.3Å; L680-D683 WeakPolarHBondContact O-CB 3.45Å; L680-D683 PolarHBondContact O-N 2.83Å; P681-D683 VanDerWaalsContact C-N 3.32Å; D683-A687 HydrophobicContact CB-CB 4.28Å; D683-L688 WeakPolarHBondContact O-CD1 3.38Å
684	P	94.4	Very high	94.2	Very high	62 Å²	62	49.3 Å²	49.3	40%	0.403	24%	0.24	S	C	.	.			trans	-56.9	142.7	-178.4	22.7	-35.9	0	0	0	112.9	Y686 A687	P684-Y686 HydrophobicContact CB-CD1 3.89Å; P684-Y686 HydrophobicContact CB-CE1 3.57Å; P684-Y686 HydrophobicContact CG-CD1 4.14Å; P684-Y686 HydrophobicContact CG-CE1 3.43Å; P684-Y686 VanDerWaalsContact CG-CE1 3.43Å; P684-Y686 HydrophobicContact CG-CE2 4.12Å; P684-Y686 VanDerWaalsContact CG-CZ 3.41Å; P684-Y686 WeakPolarHBondContact CG-OH 3.18Å; P684-Y686 PolarHBondContact O-N 2.98Å; P684-A687 WeakPolarHBondContact O-CB 3.41Å; P684-A687 PolarHBondContact O-N 3.48Å
685	K	92.7	Very high	93.9	Very high	182 Å²	182	49.6 Å²	49.6	79%	0.791	24%	0.241	S	C	*	.	H	α-helix	trans	-50.1	-24.3	-171.4	-63.3	-174.3	177.3	-175.2	0	116.2	A687 K689	K685-A687 VanDerWaalsContact C-N 3.33Å; K685-K689 VanDerWaalsContact O-CB 3.29Å; K685-K689 WeakPolarHBondContact O-CB 3.32Å; K685-K689 PolarHBondContact O-N 3Å
686	Y	93.3	Very high	93.6	Very high	108 Å²	108	52.1 Å²	52.1	42%	0.424	25%	0.253	S	S	.	.	H	α-helix	trans	-67	-32.5	174.1	66.2	-108.3	0	0	0	112.8	W662 P684 K690	W662-Y686 HydrophobicContact CB-CE2 3.9Å; W662-Y686 AromaticContact CD1-CD2 3.89Å; W662-Y686 AromaticContact CD1-CE2 3.73Å; W662-Y686 HydrophobicContact CD2-CD2 4.1Å; W662-Y686 AromaticContact CD2-CE2 3.61Å; W662-Y686 HydrophobicContact CD2-CE2 3.61Å; W662-Y686 AromaticContact CE2-CD2 3.95Å; W662-Y686 AromaticContact CE2-CE2 3.96Å; W662-Y686 HydrophobicContact CE3-CE2 4.16Å; W662-Y686 HydrophobicContact CG-CD2 4.08Å; W662-Y686 AromaticContact CG-CE2 3.48Å; W662-Y686 HydrophobicContact CG-CE2 3.48Å; W662-Y686 VanDerWaalsContact CG-CE2 3.48Å; W662-Y686 AromaticContact NE1-CD2 3.8Å; W662-Y686 AromaticContact NE1-CE2 4Å; P684-Y686 HydrophobicContact CB-CD1 3.89Å; P684-Y686 HydrophobicContact CB-CE1 3.57Å; P684-Y686 HydrophobicContact CG-CD1 4.14Å; P684-Y686 HydrophobicContact CG-CE1 3.43Å; P684-Y686 VanDerWaalsContact CG-CE1 3.43Å; P684-Y686 HydrophobicContact CG-CE2 4.12Å; P684-Y686 VanDerWaalsContact CG-CZ 3.41Å; P684-Y686 WeakPolarHBondContact CG-OH 3.18Å; P684-Y686 PolarHBondContact O-N 2.98Å; Y686-K690 WeakPolarHBondContact O-CB 3.38Å; Y686-K690 PolarHBondContact O-N 3.23Å
687	A	93.8	Very high	93.3	Very high	2 Å²	2	52.2 Å²	52.2	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-76.6	-45.9	177.8	0	0	0	0	0	110.3	W662 V679 D683 P684 K685 K690 V691	W662-A687 HydrophobicContact CE3-CB 4.24Å; W662-A687 HydrophobicContact CH2-CB 3.53Å; W662-A687 HydrophobicContact CZ2-CB 3.99Å; W662-A687 HydrophobicContact CZ3-CB 3.66Å; V679-A687 HydrophobicContact CG1-CB 4.01Å; D683-A687 HydrophobicContact CB-CB 4.28Å; P684-A687 WeakPolarHBondContact O-CB 3.41Å; P684-A687 PolarHBondContact O-N 3.48Å; K685-A687 VanDerWaalsContact C-N 3.33Å; A687-K690 PolarHBondContact O-N 3.25Å; A687-K690 VanDerWaalsContact O-N 3.14Å; A687-V691 PolarHBondContact O-N 2.94Å
688	L	92.7	Very high	93	Very high	59 Å²	59	52.2 Å²	52.2	31%	0.309	25%	0.254	S	S	.	.	H	α-helix	trans	-58.4	-48.4	174.9	-56.2	179.3	0	0	0	111.6	V679 L680 P681 D683 K690 V691 E692	V679-L688 HydrophobicContact CG1-CD2 4.24Å; L680-L688 WeakPolarHBondContact O-CD2 3.45Å; P681-L688 WeakPolarHBondContact O-CD1 3.35Å; D683-L688 WeakPolarHBondContact O-CD1 3.38Å; L688-K690 VanDerWaalsContact C-N 3.27Å; L688-K690 PolarHBondContact O-N 3.15Å; L688-V691 WeakPolarHBondContact O-CB 3.28Å; L688-V691 PolarHBondContact O-N 3.48Å; L688-V691 VanDerWaalsContact O-N 3.15Å; L688-E692 PolarHBondContact O-N 2.99Å
689	K	93.1	Very high	92.6	Very high	130 Å²	130	52 Å²	52	57%	0.565	25%	0.253	S	S	*	.	H	α-helix	trans	-60.1	-37.3	175.7	-174.3	175.1	-171.5	-70.5	0	112.2	K685 E692 E693	K685-K689 VanDerWaalsContact O-CB 3.29Å; K685-K689 WeakPolarHBondContact O-CB 3.32Å; K685-K689 PolarHBondContact O-N 3Å; K689-E692 PolarHBondContact O-N 2.89Å; K689-E693 IonicContact NZ-OE1 2.68Å; K689-E693 PolarHBondContact NZ-OE1 2.91Å; K689-E693 WeakPolarHBondContact O-CG 3.18Å; K689-E693 PolarHBondContact O-N 2.89Å
690	K	93.9	Very high	92.1	Very high	23 Å²	23	56.1 Å²	56.1	10%	0.1	28%	0.275	C	S	.	.	H	α-helix	trans	-70	-36.7	177.2	-166.1	70.2	-139.5	167.9	0	111.9	S655 A656 W662 Y686 A687 L688 E693 I694	S655-K690 PolarHBondContact O-NZ 3.07Å; A656-K690 WeakPolarHBondContact O-CE 2.92Å; A656-K690 PolarHBondContact O-NZ 3.41Å; W662-K690 HydrophobicContact CZ2-CB 3.95Å; W662-K690 HydrophobicContact CZ2-CG 4.16Å; Y686-K690 WeakPolarHBondContact O-CB 3.38Å; Y686-K690 PolarHBondContact O-N 3.23Å; A687-K690 PolarHBondContact O-N 3.25Å; A687-K690 VanDerWaalsContact O-N 3.14Å; L688-K690 VanDerWaalsContact C-N 3.27Å; L688-K690 PolarHBondContact O-N 3.15Å; K690-E693 WeakPolarHBondContact CD-OE2 3.46Å; K690-E693 WeakPolarHBondContact CE-OE2 3.31Å; K690-E693 IonicContact NZ-OE2 3.69Å; K690-E693 PolarHBondContact NZ-OE2 3.09Å; K690-I694 HydrophobicContact CG-CD1 4.07Å; K690-I694 WeakPolarHBondContact O-CD1 3.4Å; K690-I694 WeakPolarHBondContact O-CG1 3.45Å; K690-I694 PolarHBondContact O-N 2.8Å; K690-I694 VanDerWaalsContact O-N 3.1Å
691	V	93.4	Very high	91.7	Very high	14 Å²	14	57.1 Å²	57.1	9%	0.085	28%	0.281	C	S	.	.	H	α-helix	trans	-61.6	-44.5	171.1	164.9	0	0	0	0	110.7	V679 A687 L688 I694 R695 T717 L719	V679-V691 HydrophobicContact CB-CG2 3.9Å; V679-V691 HydrophobicContact CG1-CG2 3.93Å; V679-V691 HydrophobicContact CG2-CG2 3.87Å; A687-V691 PolarHBondContact O-N 2.94Å; L688-V691 WeakPolarHBondContact O-CB 3.28Å; L688-V691 PolarHBondContact O-N 3.48Å; L688-V691 VanDerWaalsContact O-N 3.15Å; V691-I694 PolarHBondContact O-N 3.41Å; V691-R695 WeakPolarHBondContact O-CB 3.43Å; V691-R695 PolarHBondContact O-N 3.12Å; V691-T717 HydrophobicContact CG1-CG2 3.93Å; V691-T717 HydrophobicContact CG2-CG2 3.9Å; V691-L719 HydrophobicContact CG2-CD1 4.36Å
692	E	92.2	Very high	91.2	Very high	64 Å²	64	57.6 Å²	57.6	30%	0.299	28%	0.28	S	S	.	.	H	α-helix	trans	-65.9	-43.1	178.1	-150.7	64.7	-148.5	0	0	112.1	L688 K689 I694 R695 E696	L688-E692 PolarHBondContact O-N 2.99Å; K689-E692 PolarHBondContact O-N 2.89Å; E692-I694 PolarHBondContact O-N 2.81Å; E692-R695 PolarHBondContact O-N 2.87Å; E692-R695 VanDerWaalsContact O-N 3.1Å; E692-R695 WeakPolarHBondContact OE1-CD 3.44Å; E692-R695 IonicContact OE1-NE 3.3Å; E692-R695 PolarHBondContact OE1-NE 3.22Å; E692-E696 WeakPolarHBondContact O-CG 3.47Å; E692-E696 PolarHBondContact O-N 2.88Å
693	E	93.3	Very high	90.4	Very high	57 Å²	57	53.5 Å²	53.5	27%	0.266	27%	0.274	S	S	.	.	H	α-helix	trans	-57.3	-32.6	172.7	-75.5	169.8	-159.2	0	0	113.2	K689 K690	K689-E693 IonicContact NZ-OE1 2.68Å; K689-E693 PolarHBondContact NZ-OE1 2.91Å; K689-E693 WeakPolarHBondContact O-CG 3.18Å; K689-E693 PolarHBondContact O-N 2.89Å; K690-E693 WeakPolarHBondContact CD-OE2 3.46Å; K690-E693 WeakPolarHBondContact CE-OE2 3.31Å; K690-E693 IonicContact NZ-OE2 3.69Å; K690-E693 PolarHBondContact NZ-OE2 3.09Å
694	I	93.4	Very high	89.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-80.4	-39.1	176.3	-66.7	159.3	0	0	0	110.2	K690 V691 E692 M697 V698 L719 V727 C730	K690-I694 HydrophobicContact CG-CD1 4.07Å; K690-I694 WeakPolarHBondContact O-CD1 3.4Å; K690-I694 WeakPolarHBondContact O-CG1 3.45Å; K690-I694 PolarHBondContact O-N 2.8Å; K690-I694 VanDerWaalsContact O-N 3.1Å; V691-I694 PolarHBondContact O-N 3.41Å; E692-I694 PolarHBondContact O-N 2.81Å; I694-M697 HydrophobicContact CG2-CE 4.31Å; I694-M697 PolarHBondContact O-N 3.31Å; I694-V698 HydrophobicContact CG2-CG2 4.29Å; I694-V698 WeakPolarHBondContact O-CB 3.36Å; I694-V698 VanDerWaalsContact O-CG2 3.28Å; I694-V698 WeakPolarHBondContact O-CG2 3.34Å; I694-V698 PolarHBondContact O-N 2.84Å; I694-L719 HydrophobicContact CD1-CD1 3.8Å; I694-L719 HydrophobicContact CD1-CD2 4.04Å; I694-L719 HydrophobicContact CG2-CD2 4.33Å; I694-V727 HydrophobicContact CD1-CB 4.32Å; I694-V727 HydrophobicContact CD1-CG1 4.13Å; I694-V727 HydrophobicContact CD1-CG2 3.91Å; I694-C730 HydrophobicContact CG2-CB 3.83Å
695	R	90.9	Very high	87.2	Confident	10 Å²	10	60.6 Å²	60.6	4%	0.038	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-51.9	176.1	171.3	173.4	154.7	66.2	-11	111.2	V691 E692 M697 V698 D699 A707 Y712 I732	V691-R695 WeakPolarHBondContact O-CB 3.43Å; V691-R695 PolarHBondContact O-N 3.12Å; E692-R695 PolarHBondContact O-N 2.87Å; E692-R695 VanDerWaalsContact O-N 3.1Å; E692-R695 WeakPolarHBondContact OE1-CD 3.44Å; E692-R695 IonicContact OE1-NE 3.3Å; E692-R695 PolarHBondContact OE1-NE 3.22Å; R695-M697 PolarHBondContact O-N 2.73Å; R695-V698 PolarHBondContact O-N 2.85Å; R695-D699 WeakPolarHBondContact CG-OD2 3.37Å; R695-D699 IonicContact CZ-OD2 3.21Å; R695-D699 IonicContact NE-OD2 2.71Å; R695-D699 IonicContact NH1-OD1 3.31Å; R695-D699 IonicContact NH1-OD2 3.41Å; R695-D699 PolarHBondContact NH1-OD2 3.07Å; R695-D699 PolarHBondContact O-N 2.75Å; R695-A707 PolarHBondContact NH2-O 3.4Å; R695-Y712 PolarHBondContact NH2-OH 3.01Å; R695-I732 HydrophobicContact CB-CD1 4.27Å; R695-I732 HydrophobicContact CG-CD1 4.27Å
696	E	90.1	Very high	85.2	Confident	105 Å²	105	60 Å²	60	49%	0.491	30%	0.3	S	S	.	.	H	α-helix	trans	-53.1	-43.5	175	-72.3	177.7	177.5	0	0	111.6	E692 N700	E692-E696 WeakPolarHBondContact O-CG 3.47Å; E692-E696 PolarHBondContact O-N 2.88Å; E696-N700 WeakPolarHBondContact O-CB 3.41Å; E696-N700 PolarHBondContact O-N 2.91Å; E696-N700 PolarHBondContact O-ND2 2.82Å
697	M	90.9	Very high	83.4	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-39.1	177.8	-179.6	-83.5	-57.5	0	0	112.6	F653 A656 V657 I694 R695 D701 W782	F653-M697 HydrophobicContact CD2-CG 4.36Å; F653-M697 HydrophobicContact CD2-SD 3.87Å; F653-M697 HydrophobicContact CE2-SD 4.28Å; A656-M697 HydrophobicContact CB-CB 3.73Å; A656-M697 HydrophobicContact CB-CE 4.36Å; A656-M697 HydrophobicContact CB-CG 3.84Å; V657-M697 HydrophobicContact CG1-CE 4.04Å; I694-M697 HydrophobicContact CG2-CE 4.31Å; I694-M697 PolarHBondContact O-N 3.31Å; R695-M697 PolarHBondContact O-N 2.73Å; M697-D701 WeakPolarHBondContact O-CB 3.41Å; M697-D701 PolarHBondContact O-N 3.13Å; M697-W782 HydrophobicContact CE-CH2 3.77Å; M697-W782 HydrophobicContact CE-CZ2 4.02Å; M697-W782 HydrophobicContact CE-CZ3 4.15Å; M697-W782 HydrophobicContact SD-CH2 4.23Å; M697-W782 HydrophobicContact SD-CZ2 3.92Å
698	V	90.7	Very high	81.7	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.012	32%	0.321	C	S	.	.	H	α-helix	trans	-71.1	-42.4	177.3	167.3	0	0	0	0	112.2	I694 R695 N700 D701 L702 C730 W782	I694-V698 HydrophobicContact CG2-CG2 4.29Å; I694-V698 WeakPolarHBondContact O-CB 3.36Å; I694-V698 VanDerWaalsContact O-CG2 3.28Å; I694-V698 WeakPolarHBondContact O-CG2 3.34Å; I694-V698 PolarHBondContact O-N 2.84Å; R695-V698 PolarHBondContact O-N 2.85Å; V698-N700 VanDerWaalsContact C-N 3.29Å; V698-N700 PolarHBondContact O-N 3.23Å; V698-D701 PolarHBondContact O-N 2.63Å; V698-L702 HydrophobicContact CG1-CD1 3.71Å; V698-L702 HydrophobicContact CG1-CG 4.43Å; V698-L702 WeakPolarHBondContact O-CB 3.46Å; V698-L702 VanDerWaalsContact O-CG 3.24Å; V698-L702 WeakPolarHBondContact O-CG 3.2Å; V698-L702 PolarHBondContact O-N 2.69Å; V698-C730 HydrophobicContact CG2-CB 4.26Å; V698-W782 HydrophobicContact CB-CB 4.45Å; V698-W782 HydrophobicContact CB-CG 4.35Å; V698-W782 HydrophobicContact CG1-CB 3.68Å; V698-W782 HydrophobicContact CG1-CG 3.95Å; V698-W782 HydrophobicContact CG2-CB 3.83Å; V698-W782 HydrophobicContact CG2-CD2 3.66Å; V698-W782 HydrophobicContact CG2-CE3 4.03Å; V698-W782 HydrophobicContact CG2-CG 3.58Å
699	D	88.4	Confident	80.3	Confident	9 Å²	9	58.4 Å²	58.4	5%	0.048	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-38.7	175.2	-75.9	-57.3	0	0	0	110.4	R695 L702 G703 F704 R780	R695-D699 WeakPolarHBondContact CG-OD2 3.37Å; R695-D699 IonicContact CZ-OD2 3.21Å; R695-D699 IonicContact NE-OD2 2.71Å; R695-D699 IonicContact NH1-OD1 3.31Å; R695-D699 IonicContact NH1-OD2 3.41Å; R695-D699 PolarHBondContact NH1-OD2 3.07Å; R695-D699 PolarHBondContact O-N 2.75Å; D699-L702 PolarHBondContact O-N 3.27Å; D699-G703 PolarHBondContact O-N 3.44Å; D699-F704 HydrophobicContact CB-CB 4.28Å; D699-F704 PolarHBondContact O-N 2.76Å; D699-R780 IonicContact OD1-CZ 3.48Å; D699-R780 IonicContact OD1-NE 2.94Å; D699-R780 PolarHBondContact OD1-NE 2.76Å; D699-R780 IonicContact OD1-NH2 2.76Å; D699-R780 PolarHBondContact OD1-NH2 2.8Å
700	N	85.9	Confident	78.6	Confident	91 Å²	91	58.3 Å²	58.3	49%	0.487	31%	0.312	S	S	.	.	H	α-helix	trans	-66	-45.3	172.1	-71.3	-16.7	0	0	0	113.4	Q652 E696 V698 L702 G703	Q652-N700 PolarHBondContact NE2-ND2 3.1Å; E696-N700 WeakPolarHBondContact O-CB 3.41Å; E696-N700 PolarHBondContact O-N 2.91Å; E696-N700 PolarHBondContact O-ND2 2.82Å; V698-N700 VanDerWaalsContact C-N 3.29Å; V698-N700 PolarHBondContact O-N 3.23Å; N700-L702 PolarHBondContact O-N 3.17Å; N700-G703 PolarHBondContact O-N 2.92Å; N700-G703 VanDerWaalsContact O-N 3.14Å
701	D	85.8	Confident	76.9	Confident	58 Å²	58	59.6 Å²	59.6	31%	0.31	32%	0.324	S	S	.	.	H	α-helix	trans	-64.2	-23.5	178	-171.8	78.5	0	0	0	112.8	M697 V698 W782 R788	M697-D701 WeakPolarHBondContact O-CB 3.41Å; M697-D701 PolarHBondContact O-N 3.13Å; V698-D701 PolarHBondContact O-N 2.63Å; D701-W782 PolarHBondContact OD2-NE1 3.4Å; D701-R788 IonicContact OD2-NH2 3.38Å
702	L	80.5	Confident	75.8	Confident	53 Å²	53	63.7 Å²	63.7	28%	0.277	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-4.2	176.5	-64.8	173.2	0	0	0	113.7	V698 D699 N700 F704	V698-L702 HydrophobicContact CG1-CD1 3.71Å; V698-L702 HydrophobicContact CG1-CG 4.43Å; V698-L702 WeakPolarHBondContact O-CB 3.46Å; V698-L702 VanDerWaalsContact O-CG 3.24Å; V698-L702 WeakPolarHBondContact O-CG 3.2Å; V698-L702 PolarHBondContact O-N 2.69Å; D699-L702 PolarHBondContact O-N 3.27Å; N700-L702 PolarHBondContact O-N 3.17Å; L702-F704 VanDerWaalsContact C-N 3.31Å; L702-F704 HydrophobicContact CB-CD2 3.56Å; L702-F704 HydrophobicContact CB-CE2 3.87Å; L702-F704 HydrophobicContact CD1-CD2 4.11Å; L702-F704 HydrophobicContact CD1-CE2 4.03Å; L702-F704 HydrophobicContact CG-CD2 4.49Å; L702-F704 PolarHBondContact O-N 2.77Å
703	G	75.2	Confident	74.8	Confident	65 Å²	65	64.6 Å²	64.6	67%	0.67	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	11.8	-177.7	0	0	0	0	0	115.6	D699 N700 Q705	D699-G703 PolarHBondContact O-N 3.44Å; N700-G703 PolarHBondContact O-N 2.92Å; N700-G703 VanDerWaalsContact O-N 3.14Å; G703-Q705 PolarHBondContact O-N 2.68Å
704	F	66.5	Low	74.3	Confident	50 Å²	50	70.2 Å²	70.2	22%	0.219	37%	0.37	C	S	.	.			trans	-78	107.7	179.2	-74	-62.5	0	0	0	111.6	D699 L702 Q706	D699-F704 HydrophobicContact CB-CB 4.28Å; D699-F704 PolarHBondContact O-N 2.76Å; L702-F704 VanDerWaalsContact C-N 3.31Å; L702-F704 HydrophobicContact CB-CD2 3.56Å; L702-F704 HydrophobicContact CB-CE2 3.87Å; L702-F704 HydrophobicContact CD1-CD2 4.11Å; L702-F704 HydrophobicContact CD1-CE2 4.03Å; L702-F704 HydrophobicContact CG-CD2 4.49Å; L702-F704 PolarHBondContact O-N 2.77Å; F704-Q706 VanDerWaalsContact C-N 3.31Å; F704-Q706 PolarHBondContact O-N 3.05Å
705	Q	54.6	Low	74.2	Confident	189 Å²	189	70.9 Å²	70.9	88%	0.883	37%	0.374	S	S	*	.			trans	-75.8	80.9	176.7	-165.3	155.9	6.3	0	0	112.2	G703 A707	G703-Q705 PolarHBondContact O-N 2.68Å; Q705-A707 PolarHBondContact O-N 3.28Å
706	Q	51.5	Low	74.4	Confident	168 Å²	168	72.9 Å²	72.9	79%	0.785	38%	0.383	S	S	*	.			trans	57.4	39.7	169.6	-58	-176.6	25.8	0	0	116.2	F704 P708	F704-Q706 VanDerWaalsContact C-N 3.31Å; F704-Q706 PolarHBondContact O-N 3.05Å; Q706-P708 WeakPolarHBondContact O-CD 3.25Å; Q706-P708 VanDerWaalsContact O-N 3.11Å
707	A	54.3	Low	74.7	Confident	40 Å²	40	68.1 Å²	68.1	33%	0.331	36%	0.362	S	S	.	.			trans	-56	115.3	168.1	0	0	0	0	0	110.5	R695 Q705	R695-A707 PolarHBondContact NH2-O 3.4Å; Q705-A707 PolarHBondContact O-N 3.28Å
708	P	59	Low	75	Confident	86 Å²	86	68 Å²	68	56%	0.558	36%	0.361	S	S	*	.			trans	-67.6	145.9	-176.5	-20.3	33.7	0	0	0	111.7	Q706	Q706-P708 WeakPolarHBondContact O-CD 3.25Å; Q706-P708 VanDerWaalsContact O-N 3.11Å
709	L	62.8	Low	75.3	Confident	11 Å²	11	68 Å²	68	6%	0.058	36%	0.361	C	S	.	.			trans	-74.5	126.8	163.7	-56	-173.8	0	0	0	108.4	C711 Y712 T715 I732	L709-C711 PolarHBondContact O-N 2.93Å; L709-Y712 HydrophobicContact CB-CD1 4.14Å; L709-Y712 HydrophobicContact CB-CD2 4.01Å; L709-Y712 HydrophobicContact CB-CE1 4Å; L709-Y712 HydrophobicContact CB-CE2 3.88Å; L709-Y712 HydrophobicContact CB-CG 4.13Å; L709-Y712 HydrophobicContact CD1-CD1 3.78Å; L709-Y712 HydrophobicContact CD1-CE1 3.7Å; L709-Y712 HydrophobicContact CD1-CG 4.49Å; L709-Y712 HydrophobicContact CG-CD1 4.22Å; L709-Y712 HydrophobicContact CG-CE1 3.82Å; L709-Y712 HydrophobicContact CG-CE2 4.48Å; L709-T715 HydrophobicContact CD1-CG2 4.1Å; L709-I732 HydrophobicContact CD1-CG2 4.04Å
710	M	57.6	Low	75.8	Confident	128 Å²	128	67.5 Å²	67.5	63%	0.631	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-24	-173.5	-61.8	-58.8	160.3	0	0	112.6
711	C	57.7	Low	76.3	Confident	50 Å²	50	63.4 Å²	63.4	34%	0.338	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-152.3	83.8	168.4	-158.1	0	0	0	0	114	L709 S713 R714	L709-C711 PolarHBondContact O-N 2.93Å; C711-S713 PolarHBondContact O-N 3.43Å; C711-S713 PolarHBondContact SG-OG 3.42Å; C711-R714 PolarHBondContact O-N 3.28Å
712	Y	71.3	Confident	76.8	Confident	100 Å²	100	60.9 Å²	60.9	39%	0.392	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-48.2	-30.2	174.2	-70.1	-92.6	0	0	0	114.2	R695 L709 R714 T715	R695-Y712 PolarHBondContact NH2-OH 3.01Å; L709-Y712 HydrophobicContact CB-CD1 4.14Å; L709-Y712 HydrophobicContact CB-CD2 4.01Å; L709-Y712 HydrophobicContact CB-CE1 4Å; L709-Y712 HydrophobicContact CB-CE2 3.88Å; L709-Y712 HydrophobicContact CB-CG 4.13Å; L709-Y712 HydrophobicContact CD1-CD1 3.78Å; L709-Y712 HydrophobicContact CD1-CE1 3.7Å; L709-Y712 HydrophobicContact CD1-CG 4.49Å; L709-Y712 HydrophobicContact CG-CD1 4.22Å; L709-Y712 HydrophobicContact CG-CE1 3.82Å; L709-Y712 HydrophobicContact CG-CE2 4.48Å; Y712-R714 PolarHBondContact O-N 2.91Å; Y712-T715 PolarHBondContact O-OG1 3.25Å
713	S	71.2	Confident	77.5	Confident	83 Å²	83	63.7 Å²	63.7	58%	0.58	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-72.1	-4.4	-178.8	72	0	0	0	0	115.5	P681 C711	P681-S713 WeakPolarHBondContact CG-O 3.47Å; C711-S713 PolarHBondContact O-N 3.43Å; C711-S713 PolarHBondContact SG-OG 3.42Å
714	R	82.7	Confident	78.3	Confident	175 Å²	175	66.3 Å²	66.3	66%	0.66	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-126.2	6.9	-179	-63.6	-174.5	180	-175.3	0.6	114	C711 Y712	C711-R714 PolarHBondContact O-N 3.28Å; Y712-R714 PolarHBondContact O-N 2.91Å
715	T	91.5	Very high	79.7	Confident	14 Å²	14	69.9 Å²	69.9	9%	0.086	35%	0.352	C	S	.	.			trans	-81.1	157.2	-177.2	67.5	0	0	0	0	112.1	P681 L709 Y712 I732 A733 E734	P681-T715 VanDerWaalsContact CD-O 3.31Å; P681-T715 WeakPolarHBondContact CD-O 3.4Å; L709-T715 HydrophobicContact CD1-CG2 4.1Å; Y712-T715 PolarHBondContact O-OG1 3.25Å; T715-I732 HydrophobicContact CG2-CG2 4.37Å; T715-A733 CarbonylContact C-O 3.55Å; T715-A733 WeakPolarHBondContact CA-O 3.46Å; T715-A733 WeakPolarHBondContact CB-O 3.13Å; T715-E734 HydrophobicContact CG2-CB 4.13Å
716	K	94.4	Very high	81.6	Confident	51 Å²	51	65.4 Å²	65.4	22%	0.222	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	116	172	-62.8	-170.5	172.5	-179.6	0	107.8	M678 L680 A733 F804	M678-K716 HydrophobicContact SD-CB 4.26Å; M678-K716 HydrophobicContact SD-CD 4.08Å; L680-K716 HydrophobicContact CD2-CB 4.38Å; L680-K716 HydrophobicContact CD2-CD 3.99Å; L680-K716 HydrophobicContact CD2-CG 3.73Å; K716-A733 PolarHBondContact N-O 3.43Å; K716-A733 PolarHBondContact O-N 2.87Å; K716-F804 HydrophobicContact CD-CD2 3.92Å; K716-F804 HydrophobicContact CD-CE2 4.21Å; K716-F804 HydrophobicContact CG-CE2 4.44Å; K716-F804 PolarHBondContact NZ-O 2.85Å
717	T	95.9	Very high	83.7	Confident	6 Å²	6	57.5 Å²	57.5	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	116.7	-178.2	-58.7	0	0	0	0	110.1	M678 V679 V691 L719 L731 I732	M678-T717 CarbonylContact C-O 3.46Å; M678-T717 WeakPolarHBondContact CA-O 3.36Å; V679-T717 PolarHBondContact N-O 3.15Å; V679-T717 PolarHBondContact O-N 2.93Å; V691-T717 HydrophobicContact CG1-CG2 3.93Å; V691-T717 HydrophobicContact CG2-CG2 3.9Å; T717-L719 HydrophobicContact CG2-CD2 3.8Å; T717-L719 HydrophobicContact CG2-CG 4.19Å; T717-L731 CarbonylContact C-O 3.56Å; T717-L731 WeakPolarHBondContact CA-O 3.46Å; T717-I732 HydrophobicContact CG2-CG1 4.12Å
718	L	97.5	Very high	85.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.5	171.2	-78.8	68.7	0	0	0	109.1	L668 I676 I677 M678 L731 M796 C799 L800	L668-L718 HydrophobicContact CD1-CD2 3.83Å; L668-L718 HydrophobicContact CD1-CG 4.04Å; I676-L718 HydrophobicContact CG2-CB 4.32Å; I676-L718 HydrophobicContact CG2-CD2 4.15Å; I676-L718 HydrophobicContact CG2-CG 4.37Å; I677-L718 CarbonylContact O-C 3.53Å; I677-L718 VanDerWaalsContact O-CA 3.29Å; I677-L718 WeakPolarHBondContact O-CA 3.46Å; M678-L718 HydrophobicContact CB-CD1 4.29Å; M678-L718 HydrophobicContact CB-CG 4.32Å; M678-L718 HydrophobicContact CG-CD1 3.99Å; M678-L718 HydrophobicContact SD-CD1 4.12Å; L718-L731 HydrophobicContact CB-CB 4.36Å; L718-L731 PolarHBondContact N-O 2.58Å; L718-L731 PolarHBondContact O-N 3.05Å; L718-M796 HydrophobicContact CB-CE 4.09Å; L718-M796 WeakPolarHBondContact CD2-O 3.49Å; L718-M796 WeakPolarHBondContact O-CE 3.35Å; L718-C799 HydrophobicContact CD2-CB 3.8Å; L718-L800 HydrophobicContact CD1-CD1 4.08Å; L718-L800 HydrophobicContact CD2-CB 4.03Å
719	L	97.6	Very high	87.5	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.8	176.8	-58.5	178.6	0	0	0	109.6	I676 I677 V679 V691 I694 T717 V727 G729 C730	I676-L719 WeakPolarHBondContact CA-O 3.43Å; I677-L719 HydrophobicContact CD1-CB 4.49Å; I677-L719 HydrophobicContact CD1-CD1 4.44Å; I677-L719 HydrophobicContact CG1-CB 3.94Å; I677-L719 PolarHBondContact N-O 3.49Å; I677-L719 PolarHBondContact O-N 3.12Å; V679-L719 HydrophobicContact CG2-CD1 4.45Å; V691-L719 HydrophobicContact CG2-CD1 4.36Å; I694-L719 HydrophobicContact CD1-CD1 3.8Å; I694-L719 HydrophobicContact CD1-CD2 4.04Å; I694-L719 HydrophobicContact CG2-CD2 4.33Å; T717-L719 HydrophobicContact CG2-CD2 3.8Å; T717-L719 HydrophobicContact CG2-CG 4.19Å; L719-V727 HydrophobicContact CB-CG1 4.34Å; L719-V727 HydrophobicContact CD2-CG1 4.17Å; L719-G729 WeakPolarHBondContact CA-O 3.48Å; L719-C730 HydrophobicContact CD2-CB 4.06Å
720	F	97.9	Very high	89.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	118.7	169.5	-163.9	-65.6	0	0	0	109.2	Y671 I676 V727 I728 G729 I792 M796	Y671-F720 AromaticContact CD2-CE2 3.85Å; Y671-F720 HydrophobicContact CD2-CE2 3.85Å; Y671-F720 HydrophobicContact CD2-CZ 4.2Å; Y671-F720 HydrophobicContact CE2-CE2 4.29Å; I676-F720 HydrophobicContact CD1-CD2 3.72Å; I676-F720 HydrophobicContact CD1-CE2 4.14Å; I676-F720 HydrophobicContact CG1-CB 4.33Å; I676-F720 HydrophobicContact CG1-CD2 3.37Å; I676-F720 HydrophobicContact CG1-CE2 3.91Å; I676-F720 HydrophobicContact CG1-CG 4.1Å; F720-V727 CarbonylContact O-C 3.55Å; F720-V727 WeakPolarHBondContact O-CA 3.24Å; F720-I728 HydrophobicContact CB-CG1 4.45Å; F720-I728 HydrophobicContact CD1-CD1 3.68Å; F720-I728 HydrophobicContact CD1-CG1 3.53Å; F720-I728 HydrophobicContact CE1-CD1 3.83Å; F720-I728 HydrophobicContact CE1-CG1 4.21Å; F720-I728 HydrophobicContact CG-CG1 4.31Å; F720-I728 PolarHBondContact O-N 3.14Å; F720-G729 PolarHBondContact N-O 3.25Å; F720-G729 PolarHBondContact O-N 2.95Å; F720-I792 HydrophobicContact CB-CG2 3.95Å; F720-I792 HydrophobicContact CD2-CG2 3.77Å; F720-I792 HydrophobicContact CE2-CG2 4.47Å; F720-I792 HydrophobicContact CG-CG2 3.85Å; F720-M796 HydrophobicContact CB-CE 4.32Å; F720-M796 HydrophobicContact CB-CG 4.39Å; F720-M796 HydrophobicContact CB-SD 3.9Å; F720-M796 HydrophobicContact CD2-CG 4.47Å
721	I	97.3	Very high	90.9	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.3	-179.8	-61	156.3	0	0	0	108.7	Y659 G674 K675 I677 K726 V727	Y659-I721 HydrophobicContact CD1-CD1 3.84Å; Y659-I721 HydrophobicContact CD1-CG1 4.28Å; Y659-I721 HydrophobicContact CD1-CG2 3.89Å; Y659-I721 HydrophobicContact CD2-CD1 4.05Å; Y659-I721 HydrophobicContact CD2-CG1 4.33Å; Y659-I721 HydrophobicContact CE1-CD1 3.54Å; Y659-I721 HydrophobicContact CE1-CG1 4.46Å; Y659-I721 HydrophobicContact CE2-CD1 3.78Å; Y659-I721 HydrophobicContact CG-CD1 4.08Å; Y659-I721 HydrophobicContact CG-CG1 4.21Å; Y659-I721 HydrophobicContact CG-CG2 4.22Å; G674-I721 CarbonylContact C-O 3.54Å; G674-I721 WeakPolarHBondContact CA-O 3.36Å; K675-I721 PolarHBondContact N-O 2.89Å; K675-I721 PolarHBondContact O-N 3.48Å; I677-I721 HydrophobicContact CD1-CD1 3.62Å; I677-I721 HydrophobicContact CG1-CD1 3.73Å; I677-I721 HydrophobicContact CG2-CD1 4.03Å; I721-K726 CarbonylContact C-O 3.58Å; I721-K726 WeakPolarHBondContact CA-O 3.35Å; I721-V727 HydrophobicContact CG1-CG2 4.36Å
722	S	96.3	Very high	92.7	Very high	5 Å²	5	43 Å²	43	4%	0.035	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	162.4	173.5	81.3	0	0	0	0	112.1	D724 K725 K726	S722-D724 PolarHBondContact O-N 3.03Å; S722-D724 VanDerWaalsContact O-N 3.13Å; S722-D724 PolarHBondContact OG-N 2.98Å; S722-D724 PolarHBondContact OG-OD2 2.91Å; S722-K725 WeakPolarHBondContact O-CA 3.37Å; S722-K725 PolarHBondContact O-N 3.12Å; S722-K726 PolarHBondContact N-O 2.89Å; S722-K726 PolarHBondContact OG-N 3.3Å
723	N	94.4	Very high	93.8	Very high	111 Å²	111	38.3 Å²	38.3	59%	0.594	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-30	172.2	-63.1	-20.7	0	0	0	112.9	P672 D673 G674 K725	P672-N723 PolarHBondContact O-ND2 2.99Å; D673-N723 PolarHBondContact O-N 3.33Å; G674-N723 WeakPolarHBondContact CA-OD1 3.4Å; G674-N723 PolarHBondContact N-OD1 3.17Å; N723-K725 PolarHBondContact O-N 3.38Å; N723-K725 VanDerWaalsContact O-N 3.17Å
724	D	93.3	Very high	94.9	Very high	121 Å²	121	35.2 Å²	35.2	65%	0.647	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	3.1	176.1	-32.3	-66.1	0	0	0	114	S722 K726	S722-D724 PolarHBondContact O-N 3.03Å; S722-D724 VanDerWaalsContact O-N 3.13Å; S722-D724 PolarHBondContact OG-N 2.98Å; S722-D724 PolarHBondContact OG-OD2 2.91Å; D724-K726 HydrophobicContact CB-CG 4.42Å
725	K	94	Very high	95.4	Very high	124 Å²	124	32.2 Å²	32.2	54%	0.539	16%	0.156	S	C	.	.	S	Bend	trans	58.8	45.3	-172	-48.9	-179.6	-176.9	-179.9	0	112.5	Y659 S722 N723	Y659-K725 WeakPolarHBondContact CA-O 3.33Å; Y659-K725 VanDerWaalsContact CB-O 3.25Å; Y659-K725 WeakPolarHBondContact CB-O 3.47Å; Y659-K725 PolarHBondContact N-O 2.79Å; Y659-K725 WeakPolarHBondContact O-CB 3.47Å; S722-K725 WeakPolarHBondContact O-CA 3.37Å; S722-K725 PolarHBondContact O-N 3.12Å; N723-K725 PolarHBondContact O-N 3.38Å; N723-K725 VanDerWaalsContact O-N 3.17Å
726	K	94.8	Very high	95.4	Very high	96 Å²	96	32.4 Å²	32.4	42%	0.417	16%	0.157	S	C	.	.	B	Isolated β-bridge	trans	-112.1	136.5	168.3	-64.5	176.3	-178.1	174.9	0	110.2	V657 I721 S722 D724 I728	V657-K726 CarbonylContact O-C 3.44Å; V657-K726 WeakPolarHBondContact O-CA 3.43Å; I721-K726 CarbonylContact C-O 3.58Å; I721-K726 WeakPolarHBondContact CA-O 3.35Å; S722-K726 PolarHBondContact N-O 2.89Å; S722-K726 PolarHBondContact OG-N 3.3Å; D724-K726 HydrophobicContact CB-CG 4.42Å; K726-I728 HydrophobicContact CB-CG2 4.19Å; K726-I728 PolarHBondContact O-N 2.79Å
727	V	96.6	Very high	95.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	112.5	167	-178	0	0	0	0	107.9	V657 Y659 I694 L719 F720 I721 G729	V657-V727 WeakPolarHBondContact CB-O 3.48Å; V657-V727 WeakPolarHBondContact CG1-O 3.19Å; V657-V727 PolarHBondContact O-N 3.2Å; Y659-V727 HydrophobicContact CD2-CG2 4.3Å; I694-V727 HydrophobicContact CD1-CB 4.32Å; I694-V727 HydrophobicContact CD1-CG1 4.13Å; I694-V727 HydrophobicContact CD1-CG2 3.91Å; L719-V727 HydrophobicContact CB-CG1 4.34Å; L719-V727 HydrophobicContact CD2-CG1 4.17Å; F720-V727 CarbonylContact O-C 3.55Å; F720-V727 WeakPolarHBondContact O-CA 3.24Å; I721-V727 HydrophobicContact CG1-CG2 4.36Å; V727-G729 WeakPolarHBondContact CG1-O 3.46Å
728	I	95.9	Very high	95.1	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.036	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-3.7	-178.4	61.4	169.4	0	0	0	113	F720 K726 V783 F784 M787 I792	F720-I728 HydrophobicContact CB-CG1 4.45Å; F720-I728 HydrophobicContact CD1-CD1 3.68Å; F720-I728 HydrophobicContact CD1-CG1 3.53Å; F720-I728 HydrophobicContact CE1-CD1 3.83Å; F720-I728 HydrophobicContact CE1-CG1 4.21Å; F720-I728 HydrophobicContact CG-CG1 4.31Å; F720-I728 PolarHBondContact O-N 3.14Å; K726-I728 HydrophobicContact CB-CG2 4.19Å; K726-I728 PolarHBondContact O-N 2.79Å; I728-V783 WeakPolarHBondContact O-CA 3.28Å; I728-V783 WeakPolarHBondContact O-CG1 3.43Å; I728-F784 HydrophobicContact CB-CB 4.46Å; I728-F784 PolarHBondContact O-N 2.91Å; I728-M787 HydrophobicContact CB-CB 4.38Å; I728-M787 HydrophobicContact CB-CG 4.23Å; I728-M787 HydrophobicContact CD1-CB 4.38Å; I728-M787 HydrophobicContact CD1-CE 3.54Å; I728-M787 HydrophobicContact CD1-CG 4.24Å; I728-M787 HydrophobicContact CG2-CG 4.24Å; I728-I792 HydrophobicContact CD1-CD1 3.54Å; I728-I792 HydrophobicContact CG1-CD1 4.11Å
729	G	96.3	Very high	94.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	146	171.3	0	0	0	0	0	111.8	L719 F720 V727 W782	L719-G729 WeakPolarHBondContact CA-O 3.48Å; F720-G729 PolarHBondContact N-O 3.25Å; F720-G729 PolarHBondContact O-N 2.95Å; V727-G729 WeakPolarHBondContact CG1-O 3.46Å; G729-W782 CarbonylContact C-O 3.5Å; G729-W782 VanDerWaalsContact CA-O 3.24Å; G729-W782 WeakPolarHBondContact CA-O 3.31Å
730	C	96.7	Very high	94.6	Very high	2 Å²	2	46 Å²	46	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.9	177.3	-175.1	0	0	0	0	108.8	I694 V698 L719 W782	I694-C730 HydrophobicContact CG2-CB 3.83Å; V698-C730 HydrophobicContact CG2-CB 4.26Å; L719-C730 HydrophobicContact CD2-CB 4.06Å; C730-W782 HydrophobicContact CB-CE3 4.29Å; C730-W782 PolarHBondContact N-O 3.32Å; C730-W782 PolarHBondContact O-N 2.85Å
731	L	96.6	Very high	94.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	123.3	171.4	-174.6	160.3	0	0	0	107.8	T717 L718 A733 I778 R780 I781 M796 I797 L800	T717-L731 CarbonylContact C-O 3.56Å; T717-L731 WeakPolarHBondContact CA-O 3.46Å; L718-L731 HydrophobicContact CB-CB 4.36Å; L718-L731 PolarHBondContact N-O 2.58Å; L718-L731 PolarHBondContact O-N 3.05Å; L731-A733 HydrophobicContact CD2-CB 3.92Å; L731-I778 HydrophobicContact CD1-CD1 4.45Å; L731-I778 HydrophobicContact CG-CG2 4.3Å; L731-R780 CarbonylContact C-O 3.58Å; L731-R780 VanDerWaalsContact CA-O 3.31Å; L731-R780 WeakPolarHBondContact CA-O 3.31Å; L731-I781 HydrophobicContact CD1-CD1 3.84Å; L731-I781 HydrophobicContact CD1-CG1 4.15Å; L731-I781 HydrophobicContact CG-CB 4.48Å; L731-I781 HydrophobicContact CG-CG1 4.36Å; L731-M796 HydrophobicContact CB-CB 4.46Å; L731-M796 HydrophobicContact CB-CE 3.83Å; L731-M796 HydrophobicContact CD1-CB 4.07Å; L731-I797 HydrophobicContact CD1-CG1 3.72Å; L731-L800 HydrophobicContact CD1-CD2 4.22Å; L731-L800 HydrophobicContact CD2-CD1 4.22Å; L731-L800 HydrophobicContact CD2-CD2 3.76Å; L731-L800 HydrophobicContact CD2-CG 4.48Å
732	I	94.9	Very high	94	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.015	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	116.8	173.2	-54.6	178.2	0	0	0	107.2	R695 L709 T715 T717 S779 R780	R695-I732 HydrophobicContact CB-CD1 4.27Å; R695-I732 HydrophobicContact CG-CD1 4.27Å; L709-I732 HydrophobicContact CD1-CG2 4.04Å; T715-I732 HydrophobicContact CG2-CG2 4.37Å; T717-I732 HydrophobicContact CG2-CG1 4.12Å; I732-S779 WeakPolarHBondContact O-CB 3.31Å; I732-S779 PolarHBondContact O-N 2.89Å; I732-R780 HydrophobicContact CB-CB 4.1Å; I732-R780 HydrophobicContact CD1-CB 4.26Å; I732-R780 HydrophobicContact CD1-CG 4.18Å; I732-R780 HydrophobicContact CG1-CB 4.18Å; I732-R780 PolarHBondContact N-O 2.74Å; I732-R780 PolarHBondContact O-N 2.78Å; I732-R780 VanDerWaalsContact O-N 3.12Å
733	A	94.9	Very high	93.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	149.3	174	0	0	0	0	0	111.2	T715 K716 L731 G777 L800 F804	T715-A733 CarbonylContact C-O 3.55Å; T715-A733 WeakPolarHBondContact CA-O 3.46Å; T715-A733 WeakPolarHBondContact CB-O 3.13Å; K716-A733 PolarHBondContact N-O 3.43Å; K716-A733 PolarHBondContact O-N 2.87Å; L731-A733 HydrophobicContact CD2-CB 3.92Å; A733-G777 CarbonylContact C-O 3.35Å; A733-G777 WeakPolarHBondContact CA-O 3.39Å; A733-L800 HydrophobicContact CB-CD1 3.45Å; A733-L800 VanDerWaalsContact CB-CD1 3.45Å; A733-L800 HydrophobicContact CB-CD2 4.13Å; A733-L800 HydrophobicContact CB-CG 4.41Å; A733-F804 HydrophobicContact CB-CD2 4.09Å; A733-F804 HydrophobicContact CB-CE2 3.88Å
734	E	93.1	Very high	92.4	Very high	19 Å²	19	51.6 Å²	51.6	9%	0.089	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160	174.5	70.3	-163.4	136	0	0	111	T715 I736 G777 S779 F804 Y840	T715-E734 HydrophobicContact CG2-CB 4.13Å; E734-I736 HydrophobicContact CG-CG2 4.27Å; E734-G777 PolarHBondContact N-O 3.43Å; E734-G777 PolarHBondContact O-N 2.86Å; E734-S779 WeakPolarHBondContact OE1-CB 3.46Å; E734-S779 PolarHBondContact OE1-OG 2.93Å; E734-F804 WeakPolarHBondContact O-CZ 3.34Å; E734-Y840 HydrophobicContact CG-CE2 4.43Å; E734-Y840 WeakPolarHBondContact OE1-CE2 3.32Å; E734-Y840 PolarHBondContact OE1-OH 3.47Å
735	H	92.3	Very high	91.2	Very high	111 Å²	111	50.2 Å²	50.2	51%	0.514	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.8	179.5	-168.4	-47.5	0	0	0	109.9	F804	H735-F804 HydrophobicContact CB-CZ 4.15Å
736	I	92.1	Very high	89.6	Confident	19 Å²	19	53.1 Å²	53.1	10%	0.097	24%	0.236	C	C	.	.			trans	-113.1	-179.5	176	62.1	175.8	0	0	0	110.2	E734 A774 I775 A816 Y840	E734-I736 HydrophobicContact CG-CG2 4.27Å; I736-A774 CarbonylContact C-O 3.4Å; I736-A774 HydrophobicContact CD1-CB 3.62Å; I736-A774 HydrophobicContact CG1-CB 4.09Å; I736-I775 PolarHBondContact N-O 3.45Å; I736-I775 VanDerWaalsContact N-O 3.09Å; I736-A816 HydrophobicContact CD1-CB 3.61Å; I736-Y840 HydrophobicContact CD1-CD1 4.26Å; I736-Y840 HydrophobicContact CD1-CG 4.38Å; I736-Y840 HydrophobicContact CG2-CD2 3.89Å; I736-Y840 HydrophobicContact CG2-CE2 3.74Å; I736-Y840 HydrophobicContact CG2-CG 4.43Å
737	Q	91.8	Very high	87.9	Confident	143 Å²	143	53.2 Å²	53.2	67%	0.668	25%	0.245	S	C	*	.	S	Bend	trans	-125.1	-27.1	171.9	-69.3	179	-26.3	0	0	111.9	P773 A774	Q737-P773 WeakPolarHBondContact O-CA 3.22Å; Q737-A774 CarbonylContact C-O 3.59Å; Q737-A774 WeakPolarHBondContact CA-O 3.26Å; Q737-A774 PolarHBondContact N-O 3.03Å; Q737-A774 PolarHBondContact O-N 3.24Å
738	W	91.9	Very high	86	Confident	134 Å²	134	55.8 Å²	55.8	51%	0.508	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	141.2	-171.8	-53.8	107	0	0	0	110.2	P771 E772 P773	W738-P771 HydrophobicContact CB-CB 4.11Å; W738-P771 HydrophobicContact CD2-CB 4.25Å; W738-P771 HydrophobicContact CE3-CB 3.99Å; W738-P771 HydrophobicContact CG-CB 4.31Å; W738-E772 CarbonylContact C-O 3.46Å; W738-E772 VanDerWaalsContact CA-O 3.32Å; W738-E772 WeakPolarHBondContact CA-O 3.4Å; W738-P773 HydrophobicContact CZ3-CB 4.21Å
739	G	92.8	Very high	84	Confident	0 Å²	0	65 Å²	65	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	159.2	166.2	0	0	0	0	0	109.6	E772 V839	G739-E772 PolarHBondContact N-O 3.01Å; G739-E772 PolarHBondContact O-N 2.79Å; G739-V839 CarbonylContact C-O 3.56Å; G739-V839 WeakPolarHBondContact CA-O 3.16Å
740	Y	92.4	Very high	82.1	Confident	64 Å²	64	67.6 Å²	67.6	25%	0.251	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.7	-176.9	-60.3	-96.6	0	0	0	108.8	V742 S768 P771 L838 V839 F842	Y740-V742 PolarHBondContact O-N 2.85Å; Y740-S768 WeakPolarHBondContact CD1-O 3.48Å; Y740-P771 HydrophobicContact CD1-CB 4.43Å; Y740-P771 HydrophobicContact CE1-CB 3.88Å; Y740-L838 CarbonylContact O-C 3.57Å; Y740-L838 WeakPolarHBondContact O-CA 3.37Å; Y740-V839 PolarHBondContact N-O 3.34Å; Y740-V839 VanDerWaalsContact O-CG2 3.29Å; Y740-V839 WeakPolarHBondContact O-CG2 3.34Å; Y740-V839 PolarHBondContact O-N 3.13Å; Y740-F842 HydrophobicContact CD1-CZ 4.45Å; Y740-F842 AromaticContact CD2-CE1 3.57Å; Y740-F842 HydrophobicContact CD2-CE1 3.57Å; Y740-F842 AromaticContact CD2-CZ 3.63Å; Y740-F842 HydrophobicContact CD2-CZ 3.63Å; Y740-F842 HydrophobicContact CE2-CE1 4.41Å; Y740-F842 HydrophobicContact CE2-CZ 4.31Å; Y740-F842 AromaticContact CG-CE1 3.95Å; Y740-F842 HydrophobicContact CG-CE1 3.95Å; Y740-F842 AromaticContact CG-CZ 3.69Å; Y740-F842 HydrophobicContact CG-CZ 3.69Å
741	R	91.8	Very high	80.3	Confident	60 Å²	60	73.5 Å²	73.5	23%	0.226	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	123.5	-175.2	-176.8	169	-65	-84	-10	111.2	I743 C767 S768 E772 Q836 L838	R741-I743 PolarHBondContact O-N 2.84Å; R741-C767 CarbonylContact O-C 3.6Å; R741-C767 WeakPolarHBondContact O-CA 3.06Å; R741-S768 PolarHBondContact O-N 3.28Å; R741-E772 WeakPolarHBondContact CB-OE1 3.24Å; R741-E772 WeakPolarHBondContact CD-OE1 3.36Å; R741-E772 IonicContact CZ-OE1 2.76Å; R741-E772 IonicContact CZ-OE2 3.7Å; R741-E772 IonicContact NE-OE1 2.61Å; R741-E772 PolarHBondContact NE-OE1 2.83Å; R741-E772 IonicContact NE-OE2 3.7Å; R741-E772 PolarHBondContact NE-OE2 2.88Å; R741-E772 IonicContact NH2-OE1 2.73Å; R741-E772 IonicContact NH2-OE2 2.75Å; R741-E772 PolarHBondContact NH2-OE2 3.47Å; R741-Q836 HydrophobicContact CG-CB 4.02Å; R741-L838 HydrophobicContact CB-CD2 3.88Å
742	V	90.2	Very high	78.9	Confident	5 Å²	5	75.1 Å²	75.1	3%	0.03	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	127.1	168.9	178.5	0	0	0	0	108.4	Y740 Q836 F837 V839	Y740-V742 PolarHBondContact O-N 2.85Å; V742-Q836 WeakPolarHBondContact O-CA 3.42Å; V742-F837 HydrophobicContact CB-CE1 4.42Å; V742-F837 HydrophobicContact CB-CZ 4.46Å; V742-F837 HydrophobicContact CG1-CE1 4.47Å; V742-F837 HydrophobicContact CG2-CD2 4.12Å; V742-F837 HydrophobicContact CG2-CE1 4.33Å; V742-F837 HydrophobicContact CG2-CE2 3.79Å; V742-F837 HydrophobicContact CG2-CZ 3.89Å; V742-F837 WeakPolarHBondContact CG2-O 3.3Å; V742-F837 PolarHBondContact N-O 3.5Å; V742-V839 HydrophobicContact CG2-CB 4.22Å; V742-V839 HydrophobicContact CG2-CG1 3.48Å; V742-V839 VanDerWaalsContact CG2-CG1 3.48Å; V742-V839 HydrophobicContact CG2-CG2 3.71Å
743	I	84.7	Confident	77.3	Confident	79 Å²	79	82 Å²	82	41%	0.405	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-84.6	116.2	175	-59.5	175.8	0	0	0	106.8	R741 E745 C766	R741-I743 PolarHBondContact O-N 2.84Å; I743-E745 VanDerWaalsContact C-N 3.29Å; I743-E745 PolarHBondContact O-N 3.14Å; I743-C766 HydrophobicContact CB-CB 4.21Å; I743-C766 HydrophobicContact CD1-CB 4.43Å; I743-C766 PolarHBondContact N-O 3.07Å
744	E	73.9	Confident	75.6	Confident	95 Å²	95	88 Å²	88	44%	0.444	44%	0.437	S	S	.	.			trans	-73.7	89.4	168.4	-177.9	162.5	-130.3	0	0	108.5	K746 G835 Q836	E744-K746 PolarHBondContact O-N 2.82Å; E744-G835 VanDerWaalsContact CD-CA 3.5Å; E744-G835 WeakPolarHBondContact OE2-CA 3.48Å; E744-G835 PolarHBondContact OE2-N 3.41Å; E744-Q836 HydrophobicContact CB-CG 4.42Å
745	E	67.1	Low	74	Confident	92 Å²	92	92 Å²	92	43%	0.43	46%	0.455	S	S	.	.			trans	-61	110	172.3	-173.5	175.9	-147.1	0	0	109.2	I743 V747	I743-E745 VanDerWaalsContact C-N 3.29Å; I743-E745 PolarHBondContact O-N 3.14Å; E745-V747 PolarHBondContact O-N 3.1Å
746	K	61.1	Low	72.4	Confident	185 Å²	185	90.6 Å²	90.6	80%	0.804	45%	0.448	S	S	*	.			trans	-72.1	115.9	171.8	-66.5	177	178.2	176.8	0	107	E744 P748	E744-K746 PolarHBondContact O-N 2.82Å; K746-P748 WeakPolarHBondContact O-CD 3.35Å; K746-P748 VanDerWaalsContact O-N 3.11Å
747	V	58.4	Low	70.8	Confident	99 Å²	99	92.8 Å²	92.8	60%	0.6	46%	0.462	S	S	*	.			trans	-48.1	118.6	-179.9	-179.8	0	0	0	0	109.1	E745	E745-V747 PolarHBondContact O-N 3.1Å
748	P	56.3	Low	69.2	Low	55 Å²	55	90.4 Å²	90.4	36%	0.357	45%	0.453	S	S	.	.			trans	-61.8	145.7	176.1	24.7	-32.4	0	0	0	109.5	K746 V750 F759	K746-P748 WeakPolarHBondContact O-CD 3.35Å; K746-P748 VanDerWaalsContact O-N 3.11Å; P748-V750 HydrophobicContact CB-CG2 4.06Å; P748-V750 HydrophobicContact CG-CG2 4.03Å; P748-V750 PolarHBondContact O-N 3.39Å; P748-F759 HydrophobicContact CG-CZ 4.39Å
749	E	54.6	Low	67.3	Low	201 Å²	201	88.6 Å²	88.6	94%	0.939	45%	0.448	S	S	*	.			trans	-78.1	48.4	-172.2	-159.3	162.4	-140.4	0	0	112.3
750	V	56.9	Low	65.6	Low	54 Å²	54	94.5 Å²	94.5	33%	0.327	48%	0.476	S	S	.	.			trans	-69	136.6	178.9	-173	0	0	0	0	109.5	P748 E755 K756	P748-V750 HydrophobicContact CB-CG2 4.06Å; P748-V750 HydrophobicContact CG-CG2 4.03Å; P748-V750 PolarHBondContact O-N 3.39Å; V750-E755 HydrophobicContact CG1-CB 4.25Å; V750-E755 WeakPolarHBondContact CG1-OE2 3.38Å; V750-K756 VanDerWaalsContact O-CE 3.27Å; V750-K756 WeakPolarHBondContact O-CE 3.42Å; V750-K756 PolarHBondContact O-NZ 2.81Å
751	S	59.5	Low	63.7	Low	125 Å²	125	100.5 Å²	100.5	87%	0.874	50%	0.498	S	S	*	.			trans	-91.5	3.2	-163.9	50.2	0	0	0	0	115.7
752	S	65.4	Low	61.8	Low	34 Å²	34	104.8 Å²	104.8	24%	0.238	52%	0.521	C	S	.	.			trans	-109.5	139.4	177.9	90.1	0	0	0	0	113.5	N754 E755 K756	S752-N754 VanDerWaalsContact C-N 3.26Å; S752-N754 PolarHBondContact O-N 3.36Å; S752-E755 WeakPolarHBondContact CB-OE2 3.15Å; S752-E755 VanDerWaalsContact OG-CB 3.31Å; S752-E755 WeakPolarHBondContact OG-CB 3.17Å; S752-E755 VanDerWaalsContact OG-CD 3.31Å; S752-E755 VanDerWaalsContact OG-CG 3.25Å; S752-E755 WeakPolarHBondContact OG-CG 3.36Å; S752-E755 PolarHBondContact OG-N 3.37Å; S752-E755 VanDerWaalsContact OG-N 3.13Å; S752-E755 PolarHBondContact OG-OE2 3.24Å; S752-K756 WeakPolarHBondContact O-CG 3.14Å; S752-K756 PolarHBondContact O-N 3.29Å
753	E	62.6	Low	60.2	Low	148 Å²	148	107.8 Å²	107.8	69%	0.692	53%	0.533	S	S	*	.	H	α-helix	trans	-59.8	-38.5	173.3	-137.6	72.4	-126.7	0	0	111.4	K756 V757	E753-K756 PolarHBondContact O-N 2.93Å; E753-V757 WeakPolarHBondContact O-CG2 3.48Å; E753-V757 PolarHBondContact O-N 3.18Å
754	N	57.9	Low	59.2	Low	126 Å²	126	107.9 Å²	107.9	67%	0.674	55%	0.546	S	S	*	.	H	α-helix	trans	-73.3	-41.1	-170.8	-63.7	-26	0	0	0	112.1	S752 V757 I758	S752-N754 VanDerWaalsContact C-N 3.26Å; S752-N754 PolarHBondContact O-N 3.36Å; N754-V757 PolarHBondContact O-N 2.87Å; N754-I758 WeakPolarHBondContact O-CG1 3.4Å; N754-I758 PolarHBondContact O-N 3.48Å; N754-I758 VanDerWaalsContact O-N 3.15Å
755	E	60.3	Low	59.1	Low	103 Å²	103	109.1 Å²	109.1	48%	0.481	55%	0.547	S	S	.	.	H	α-helix	trans	-68.6	-36.1	176.6	-69.3	164.5	124.5	0	0	111.3	V750 S752 V757 I758 F759	V750-E755 HydrophobicContact CG1-CB 4.25Å; V750-E755 WeakPolarHBondContact CG1-OE2 3.38Å; S752-E755 WeakPolarHBondContact CB-OE2 3.15Å; S752-E755 VanDerWaalsContact OG-CB 3.31Å; S752-E755 WeakPolarHBondContact OG-CB 3.17Å; S752-E755 VanDerWaalsContact OG-CD 3.31Å; S752-E755 VanDerWaalsContact OG-CG 3.25Å; S752-E755 WeakPolarHBondContact OG-CG 3.36Å; S752-E755 PolarHBondContact OG-N 3.37Å; S752-E755 VanDerWaalsContact OG-N 3.13Å; S752-E755 PolarHBondContact OG-OE2 3.24Å; E755-V757 VanDerWaalsContact C-N 3.29Å; E755-V757 PolarHBondContact O-N 3.39Å; E755-I758 PolarHBondContact O-N 2.93Å; E755-I758 VanDerWaalsContact O-N 3.13Å; E755-F759 WeakPolarHBondContact O-CB 3.12Å; E755-F759 PolarHBondContact O-N 2.92Å
756	K	59.3	Low	59.6	Low	82 Å²	82	108 Å²	108	36%	0.357	55%	0.548	S	S	.	.	H	α-helix	trans	-56.1	-44.7	172.3	-67.4	172.1	-162.8	-62.1	0	111.4	V750 S752 E753 I758 F759 E760	V750-K756 VanDerWaalsContact O-CE 3.27Å; V750-K756 WeakPolarHBondContact O-CE 3.42Å; V750-K756 PolarHBondContact O-NZ 2.81Å; S752-K756 WeakPolarHBondContact O-CG 3.14Å; S752-K756 PolarHBondContact O-N 3.29Å; E753-K756 PolarHBondContact O-N 2.93Å; K756-I758 VanDerWaalsContact C-N 3.33Å; K756-I758 PolarHBondContact O-N 2.91Å; K756-F759 PolarHBondContact O-N 2.77Å; K756-E760 WeakPolarHBondContact O-CB 3.36Å; K756-E760 PolarHBondContact O-N 3.26Å
757	V	58.3	Low	60.8	Low	64 Å²	64	101 Å²	101	39%	0.388	52%	0.523	S	S	.	.	H	α-helix	trans	-67	-31.2	178.5	172.8	0	0	0	0	112.5	E753 N754 E755 R761	E753-V757 WeakPolarHBondContact O-CG2 3.48Å; E753-V757 PolarHBondContact O-N 3.18Å; N754-V757 PolarHBondContact O-N 2.87Å; E755-V757 VanDerWaalsContact C-N 3.29Å; E755-V757 PolarHBondContact O-N 3.39Å; V757-R761 WeakPolarHBondContact O-CB 3.38Å; V757-R761 WeakPolarHBondContact O-CD 3.32Å; V757-R761 VanDerWaalsContact O-CG 3.23Å; V757-R761 WeakPolarHBondContact O-CG 3.18Å; V757-R761 PolarHBondContact O-N 2.96Å
758	I	56.9	Low	62.1	Low	94 Å²	94	97.9 Å²	97.9	48%	0.482	51%	0.505	S	S	.	.	H	α-helix	trans	-74.3	-48.2	174.4	-65.4	165.8	0	0	0	110.5	N754 E755 K756 E760 R761 Q762	N754-I758 WeakPolarHBondContact O-CG1 3.4Å; N754-I758 PolarHBondContact O-N 3.48Å; N754-I758 VanDerWaalsContact O-N 3.15Å; E755-I758 PolarHBondContact O-N 2.93Å; E755-I758 VanDerWaalsContact O-N 3.13Å; K756-I758 VanDerWaalsContact C-N 3.33Å; K756-I758 PolarHBondContact O-N 2.91Å; I758-E760 VanDerWaalsContact C-N 3.3Å; I758-E760 PolarHBondContact O-N 3.31Å; I758-R761 WeakPolarHBondContact O-CA 3.35Å; I758-R761 WeakPolarHBondContact O-CB 3.1Å; I758-R761 PolarHBondContact O-N 2.79Å; I758-Q762 PolarHBondContact O-N 3.16Å
759	F	54	Low	63.5	Low	95 Å²	95	101.8 Å²	101.8	42%	0.417	53%	0.528	S	S	.	.	H	α-helix	trans	-61	-38.7	178.8	-144	-82.4	0	0	0	111.7	P748 E755 K756 R761 Q762 K763	P748-F759 HydrophobicContact CG-CZ 4.39Å; E755-F759 WeakPolarHBondContact O-CB 3.12Å; E755-F759 PolarHBondContact O-N 2.92Å; K756-F759 PolarHBondContact O-N 2.77Å; F759-R761 VanDerWaalsContact C-N 3.32Å; F759-R761 PolarHBondContact O-N 3.2Å; F759-Q762 PolarHBondContact O-N 2.84Å; F759-K763 PolarHBondContact O-N 3.45Å
760	E	56.1	Low	65.2	Low	125 Å²	125	94.8 Å²	94.8	58%	0.584	50%	0.501	S	S	*	.	H	α-helix	trans	-72.4	-22.9	175.6	-173	137.2	-99.2	0	0	113.5	K756 I758 K763	K756-E760 WeakPolarHBondContact O-CB 3.36Å; K756-E760 PolarHBondContact O-N 3.26Å; I758-E760 VanDerWaalsContact C-N 3.3Å; I758-E760 PolarHBondContact O-N 3.31Å; E760-K763 HydrophobicContact CG-CD 4.37Å; E760-K763 WeakPolarHBondContact O-CB 3.28Å; E760-K763 IonicContact OE1-NZ 3.4Å; E760-K763 PolarHBondContact OE1-NZ 3.28Å
761	R	52.6	Low	66.9	Low	189 Å²	189	95.4 Å²	95.4	71%	0.713	51%	0.506	S	S	*	.	H	α-helix	trans	-81.6	-29.7	170.4	-77.7	171.1	165.7	-165	-9.6	113.1	V757 I758 F759 K763	V757-R761 WeakPolarHBondContact O-CB 3.38Å; V757-R761 WeakPolarHBondContact O-CD 3.32Å; V757-R761 VanDerWaalsContact O-CG 3.23Å; V757-R761 WeakPolarHBondContact O-CG 3.18Å; V757-R761 PolarHBondContact O-N 2.96Å; I758-R761 WeakPolarHBondContact O-CA 3.35Å; I758-R761 WeakPolarHBondContact O-CB 3.1Å; I758-R761 PolarHBondContact O-N 2.79Å; F759-R761 VanDerWaalsContact C-N 3.32Å; F759-R761 PolarHBondContact O-N 3.2Å; R761-K763 VanDerWaalsContact C-N 3.28Å; R761-K763 PolarHBondContact O-N 3.36Å
762	Q	51.5	Low	68.5	Low	151 Å²	151	91.8 Å²	91.8	71%	0.706	48%	0.476	S	S	*	.	S	Bend	trans	-91	19.6	176.5	-66.5	-173.8	-62.8	0	0	113.4	I758 F759 A764	I758-Q762 PolarHBondContact O-N 3.16Å; F759-Q762 PolarHBondContact O-N 2.84Å; Q762-A764 PolarHBondContact O-N 3.05Å
763	K	57.5	Low	69.9	Low	67 Å²	67	94.8 Å²	94.8	29%	0.291	50%	0.495	S	S	.	.			trans	-75.2	58.4	-168.7	-154.5	172.2	-149	169.5	0	114.2	F759 E760 R761 W765	F759-K763 PolarHBondContact O-N 3.45Å; E760-K763 HydrophobicContact CG-CD 4.37Å; E760-K763 WeakPolarHBondContact O-CB 3.28Å; E760-K763 IonicContact OE1-NZ 3.4Å; E760-K763 PolarHBondContact OE1-NZ 3.28Å; R761-K763 VanDerWaalsContact C-N 3.28Å; R761-K763 PolarHBondContact O-N 3.36Å; K763-W765 HydrophobicContact CD-CH2 3.72Å; K763-W765 HydrophobicContact CD-CZ2 4.17Å; K763-W765 HydrophobicContact CD-CZ3 4.2Å; K763-W765 HydrophobicContact CG-CH2 4.01Å; K763-W765 HydrophobicContact CG-CZ2 4.3Å; K763-W765 HydrophobicContact CG-CZ3 4.13Å; K763-W765 PolarHBondContact O-N 2.79Å
764	A	62.7	Low	71.4	Confident	81 Å²	81	88 Å²	88	67%	0.669	46%	0.463	S	S	*	.			trans	-64	125	167.2	0	0	0	0	0	109.3	Q762 C766	Q762-A764 PolarHBondContact O-N 3.05Å; A764-C766 PolarHBondContact O-N 3.4Å; A764-C766 VanDerWaalsContact O-N 3.16Å
765	W	72	Confident	73.1	Confident	121 Å²	121	84 Å²	84	46%	0.458	44%	0.441	S	S	.	.			trans	-77.4	107.2	-173.5	-60.4	108.4	0	0	0	111.6	K763 K825	K763-W765 HydrophobicContact CD-CH2 3.72Å; K763-W765 HydrophobicContact CD-CZ2 4.17Å; K763-W765 HydrophobicContact CD-CZ3 4.2Å; K763-W765 HydrophobicContact CG-CH2 4.01Å; K763-W765 HydrophobicContact CG-CZ2 4.3Å; K763-W765 HydrophobicContact CG-CZ3 4.13Å; K763-W765 PolarHBondContact O-N 2.79Å; W765-K825 HydrophobicContact CD2-CD 3.67Å; W765-K825 HydrophobicContact CE3-CD 4Å; W765-K825 HydrophobicContact CG-CD 4.2Å; W765-K825 HydrophobicContact CH2-CD 4.07Å; W765-K825 VanDerWaalsContact CH2-NZ 3.33Å; W765-K825 HydrophobicContact CZ2-CD 3.75Å; W765-K825 HydrophobicContact CZ3-CD 4.2Å
766	C	77.5	Confident	74.8	Confident	68 Å²	68	79 Å²	79	46%	0.459	42%	0.418	S	S	.	.			trans	-61.3	138	173.2	-62.2	0	0	0	0	111.8	I743 A764	I743-C766 HydrophobicContact CB-CB 4.21Å; I743-C766 HydrophobicContact CD1-CB 4.43Å; I743-C766 PolarHBondContact N-O 3.07Å; A764-C766 PolarHBondContact O-N 3.4Å; A764-C766 VanDerWaalsContact O-N 3.16Å
767	C	85.6	Confident	76.4	Confident	40 Å²	40	75.1 Å²	75.1	27%	0.27	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.6	170.6	49.5	0	0	0	0	108.9	R741 V839 F842	R741-C767 CarbonylContact O-C 3.6Å; R741-C767 WeakPolarHBondContact O-CA 3.06Å; C767-V839 HydrophobicContact CB-CG2 4.32Å; C767-F842 HydrophobicContact CB-CE2 4.47Å; C767-F842 HydrophobicContact CB-CZ 4.27Å; C767-F842 WeakPolarHBondContact SG-CE2 3.25Å; C767-F842 VanDerWaalsContact SG-CZ 3.56Å
768	S	86.8	Confident	78.2	Confident	33 Å²	33	72.2 Å²	72.2	23%	0.231	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	142.3	171.9	-169.2	0	0	0	0	110.1	Y740 R741 S770	Y740-S768 WeakPolarHBondContact CD1-O 3.48Å; R741-S768 PolarHBondContact O-N 3.28Å; S768-S770 PolarHBondContact O-N 2.76Å; S768-S770 PolarHBondContact OG-N 2.88Å; S768-S770 PolarHBondContact OG-OG 2.79Å
769	T	86.3	Confident	79.8	Confident	136 Å²	136	68 Å²	68	83%	0.834	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	-15.7	169.6	51	0	0	0	0	112.5	P771	T769-P771 WeakPolarHBondContact O-CD 3.39Å
770	S	89.7	Confident	81.6	Confident	54 Å²	54	64.6 Å²	64.6	38%	0.378	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	119	175.8	63.8	0	0	0	0	111.5	S768	S768-S770 PolarHBondContact O-N 2.76Å; S768-S770 PolarHBondContact OG-N 2.88Å; S768-S770 PolarHBondContact OG-OG 2.79Å
771	P	92.4	Very high	83.5	Confident	67 Å²	67	60.5 Å²	60.5	44%	0.435	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.6	168.9	29.9	-32.8	0	0	0	110	W738 Y740 T769	W738-P771 HydrophobicContact CB-CB 4.11Å; W738-P771 HydrophobicContact CD2-CB 4.25Å; W738-P771 HydrophobicContact CE3-CB 3.99Å; W738-P771 HydrophobicContact CG-CB 4.31Å; Y740-P771 HydrophobicContact CD1-CB 4.43Å; Y740-P771 HydrophobicContact CE1-CB 3.88Å; T769-P771 WeakPolarHBondContact O-CD 3.39Å
772	E	93.4	Very high	85.6	Confident	49 Å²	49	51.9 Å²	51.9	23%	0.229	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	144.3	171.6	-69.2	-177	-143.6	0	0	109.8	W738 G739 R741 A774 L838	W738-E772 CarbonylContact C-O 3.46Å; W738-E772 VanDerWaalsContact CA-O 3.32Å; W738-E772 WeakPolarHBondContact CA-O 3.4Å; G739-E772 PolarHBondContact N-O 3.01Å; G739-E772 PolarHBondContact O-N 2.79Å; R741-E772 WeakPolarHBondContact CB-OE1 3.24Å; R741-E772 WeakPolarHBondContact CD-OE1 3.36Å; R741-E772 IonicContact CZ-OE1 2.76Å; R741-E772 IonicContact CZ-OE2 3.7Å; R741-E772 IonicContact NE-OE1 2.61Å; R741-E772 PolarHBondContact NE-OE1 2.83Å; R741-E772 IonicContact NE-OE2 3.7Å; R741-E772 PolarHBondContact NE-OE2 2.88Å; R741-E772 IonicContact NH2-OE1 2.73Å; R741-E772 IonicContact NH2-OE2 2.75Å; R741-E772 PolarHBondContact NH2-OE2 3.47Å; E772-A774 PolarHBondContact O-N 3.16Å; E772-L838 HydrophobicContact CB-CD1 4.25Å; E772-L838 HydrophobicContact CB-CD2 4.2Å
773	P	94.2	Very high	87.7	Confident	98 Å²	98	45.2 Å²	45.2	64%	0.636	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	124.6	-178.2	27.2	-34.2	0	0	0	110.8	Q737 W738	Q737-P773 WeakPolarHBondContact O-CA 3.22Å; W738-P773 HydrophobicContact CZ3-CB 4.21Å
774	A	94.4	Very high	89.4	Confident	4 Å²	4	43.2 Å²	43.2	3%	0.033	26%	0.257	C	S	.	.			trans	-135.4	145.4	-179.5	0	0	0	0	0	110.5	I736 Q737 E772 A816 L838	I736-A774 CarbonylContact C-O 3.4Å; I736-A774 HydrophobicContact CD1-CB 3.62Å; I736-A774 HydrophobicContact CG1-CB 4.09Å; Q737-A774 CarbonylContact C-O 3.59Å; Q737-A774 WeakPolarHBondContact CA-O 3.26Å; Q737-A774 PolarHBondContact N-O 3.03Å; Q737-A774 PolarHBondContact O-N 3.24Å; E772-A774 PolarHBondContact O-N 3.16Å; A774-A816 HydrophobicContact CB-CB 4.46Å; A774-L838 HydrophobicContact CB-CD1 3.85Å
775	I	93.7	Very high	90.8	Very high	42 Å²	42	41.6 Å²	41.6	22%	0.215	24%	0.241	C	C	.	.	S	Bend	trans	-105.5	-44	-172.2	-60.8	179.5	0	0	0	110.8	I736 F804 I805 L810 E814	I736-I775 PolarHBondContact N-O 3.45Å; I736-I775 VanDerWaalsContact N-O 3.09Å; I775-F804 HydrophobicContact CG2-CD1 4.25Å; I775-F804 HydrophobicContact CG2-CE1 4.1Å; I775-I805 HydrophobicContact CG2-CD1 3.64Å; I775-I805 HydrophobicContact CG2-CG1 4.42Å; I775-L810 HydrophobicContact CB-CD2 4.37Å; I775-L810 HydrophobicContact CD1-CD2 4.08Å; I775-L810 HydrophobicContact CG2-CD2 4.12Å; I775-E814 HydrophobicContact CB-CB 4.42Å; I775-E814 HydrophobicContact CD1-CB 4.28Å; I775-E814 HydrophobicContact CD1-CG 4.05Å; I775-E814 WeakPolarHBondContact CD1-OE1 3.23Å; I775-E814 HydrophobicContact CG1-CB 4.33Å; I775-E814 HydrophobicContact CG1-CG 4.45Å; I775-E814 PolarHBondContact N-O 3.15Å
776	C	95	Very high	91.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	112	-170.5	-178.8	0	0	0	0	111.4	F804 L810 E814 I815 A816	C776-F804 HydrophobicContact CB-CD1 3.83Å; C776-F804 HydrophobicContact CB-CE1 3.88Å; C776-F804 HydrophobicContact CB-CG 4.19Å; C776-F804 HydrophobicContact CB-CZ 4.28Å; C776-L810 HydrophobicContact CB-CD1 3.59Å; C776-E814 PolarHBondContact N-O 3.45Å; C776-E814 VanDerWaalsContact N-O 3.07Å; C776-I815 WeakPolarHBondContact O-CA 3.49Å; C776-A816 PolarHBondContact O-N 3.3Å
777	G	94.3	Very high	92.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	120.5	170.7	0	0	0	0	0	110.6	A733 E734 S779 A816 Y840	A733-G777 CarbonylContact C-O 3.35Å; A733-G777 WeakPolarHBondContact CA-O 3.39Å; E734-G777 PolarHBondContact N-O 3.43Å; E734-G777 PolarHBondContact O-N 2.86Å; G777-S779 PolarHBondContact O-N 2.83Å; G777-A816 CarbonylContact C-O 3.1Å; G777-A816 WeakPolarHBondContact CA-O 3.36Å; G777-Y840 VanDerWaalsContact C-OH 3.3Å; G777-Y840 WeakPolarHBondContact CA-OH 3.38Å
778	I	95.1	Very high	92.8	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	96.6	168.8	-64.3	177.1	0	0	0	107.4	L731 I781 I797 L800 I815 A816 F817 S818	L731-I778 HydrophobicContact CD1-CD1 4.45Å; L731-I778 HydrophobicContact CG-CG2 4.3Å; I778-I781 HydrophobicContact CG2-CB 3.82Å; I778-I781 HydrophobicContact CG2-CG2 4.08Å; I778-I797 HydrophobicContact CD1-CD1 3.46Å; I778-I797 VanDerWaalsContact CD1-CD1 3.46Å; I778-I797 HydrophobicContact CD1-CG1 3.78Å; I778-L800 HydrophobicContact CD1-CD2 3.99Å; I778-L800 HydrophobicContact CG1-CD2 3.89Å; I778-I815 HydrophobicContact CD1-CG2 3.57Å; I778-I815 HydrophobicContact CG1-CG2 3.87Å; I778-A816 PolarHBondContact N-O 3.23Å; I778-F817 HydrophobicContact CB-CD1 4.06Å; I778-F817 HydrophobicContact CB-CE1 4.44Å; I778-F817 HydrophobicContact CD1-CD1 4.17Å; I778-F817 HydrophobicContact CD1-CE1 3.69Å; I778-F817 HydrophobicContact CD1-CZ 4.06Å; I778-F817 HydrophobicContact CG2-CD1 4.11Å; I778-F817 HydrophobicContact CG2-CE1 4.41Å; I778-S818 PolarHBondContact O-N 3.43Å; I778-S818 PolarHBondContact O-OG 2.89Å
779	S	91.9	Very high	93.1	Very high	6 Å²	6	47.8 Å²	47.8	4%	0.042	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-31.6	-176	-155.1	0	0	0	0	112.3	I732 E734 G777 S818 Y840	I732-S779 WeakPolarHBondContact O-CB 3.31Å; I732-S779 PolarHBondContact O-N 2.89Å; E734-S779 WeakPolarHBondContact OE1-CB 3.46Å; E734-S779 PolarHBondContact OE1-OG 2.93Å; G777-S779 PolarHBondContact O-N 2.83Å; S779-S818 VanDerWaalsContact CA-OG 3.32Å; S779-S818 WeakPolarHBondContact CA-OG 3.22Å; S779-S818 PolarHBondContact O-OG 3.18Å; S779-Y840 VanDerWaalsContact CA-OH 3.26Å; S779-Y840 WeakPolarHBondContact CA-OH 3.28Å; S779-Y840 WeakPolarHBondContact CB-OH 3.43Å; S779-Y840 PolarHBondContact N-OH 3.29Å
780	R	91.7	Very high	93.6	Very high	23 Å²	23	46.4 Å²	46.4	9%	0.087	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	141.5	168	-65.4	-63.5	-177.5	-88.7	1.2	109.8	D699 L731 I732	D699-R780 IonicContact OD1-CZ 3.48Å; D699-R780 IonicContact OD1-NE 2.94Å; D699-R780 PolarHBondContact OD1-NE 2.76Å; D699-R780 IonicContact OD1-NH2 2.76Å; D699-R780 PolarHBondContact OD1-NH2 2.8Å; L731-R780 CarbonylContact C-O 3.58Å; L731-R780 VanDerWaalsContact CA-O 3.31Å; L731-R780 WeakPolarHBondContact CA-O 3.31Å; I732-R780 HydrophobicContact CB-CB 4.1Å; I732-R780 HydrophobicContact CD1-CB 4.26Å; I732-R780 HydrophobicContact CD1-CG 4.18Å; I732-R780 HydrophobicContact CG1-CB 4.18Å; I732-R780 PolarHBondContact N-O 2.74Å; I732-R780 PolarHBondContact O-N 2.78Å; I732-R780 VanDerWaalsContact O-N 3.12Å
781	I	95.1	Very high	93.9	Very high	40 Å²	40	50.2 Å²	50.2	21%	0.205	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	124.6	165	-170.7	169.7	0	0	0	109.7	L731 I778 A793 I797 F827	L731-I781 HydrophobicContact CD1-CD1 3.84Å; L731-I781 HydrophobicContact CD1-CG1 4.15Å; L731-I781 HydrophobicContact CG-CB 4.48Å; L731-I781 HydrophobicContact CG-CG1 4.36Å; I778-I781 HydrophobicContact CG2-CB 3.82Å; I778-I781 HydrophobicContact CG2-CG2 4.08Å; I781-A793 HydrophobicContact CD1-CB 3.92Å; I781-A793 HydrophobicContact CG1-CB 4.4Å; I781-I797 HydrophobicContact CD1-CD1 3.9Å; I781-I797 HydrophobicContact CD1-CG1 4.01Å; I781-F827 HydrophobicContact CD1-CD1 4.42Å; I781-F827 HydrophobicContact CD1-CE1 3.73Å; I781-F827 HydrophobicContact CD1-CZ 4.16Å
782	W	95.9	Very high	94.1	Very high	7 Å²	7	47.2 Å²	47.2	3%	0.027	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	142.7	-173.8	177.8	92.7	0	0	0	110.9	F653 V657 M697 V698 D701 G729 C730 F784	F653-W782 HydrophobicContact CE2-CH2 4.13Å; F653-W782 HydrophobicContact CE2-CZ2 4.21Å; V657-W782 HydrophobicContact CG1-CH2 4.44Å; M697-W782 HydrophobicContact CE-CH2 3.77Å; M697-W782 HydrophobicContact CE-CZ2 4.02Å; M697-W782 HydrophobicContact CE-CZ3 4.15Å; M697-W782 HydrophobicContact SD-CH2 4.23Å; M697-W782 HydrophobicContact SD-CZ2 3.92Å; V698-W782 HydrophobicContact CB-CB 4.45Å; V698-W782 HydrophobicContact CB-CG 4.35Å; V698-W782 HydrophobicContact CG1-CB 3.68Å; V698-W782 HydrophobicContact CG1-CG 3.95Å; V698-W782 HydrophobicContact CG2-CB 3.83Å; V698-W782 HydrophobicContact CG2-CD2 3.66Å; V698-W782 HydrophobicContact CG2-CE3 4.03Å; V698-W782 HydrophobicContact CG2-CG 3.58Å; D701-W782 PolarHBondContact OD2-NE1 3.4Å; G729-W782 CarbonylContact C-O 3.5Å; G729-W782 VanDerWaalsContact CA-O 3.24Å; G729-W782 WeakPolarHBondContact CA-O 3.31Å; C730-W782 HydrophobicContact CB-CE3 4.29Å; C730-W782 PolarHBondContact N-O 3.32Å; C730-W782 PolarHBondContact O-N 2.85Å; W782-F784 HydrophobicContact CH2-CB 3.61Å; W782-F784 HydrophobicContact CH2-CD2 4.48Å; W782-F784 HydrophobicContact CH2-CG 4.45Å; W782-F784 HydrophobicContact CZ2-CB 4.08Å; W782-F784 HydrophobicContact CZ2-CD2 4.46Å; W782-F784 HydrophobicContact CZ3-CB 4.14Å
783	V	96.3	Very high	94.3	Very high	12 Å²	12	45.6 Å²	45.6	7%	0.073	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	132.9	170.5	177.3	0	0	0	0	107.6	I728 S785 M787 R788 I792 A793	I728-V783 WeakPolarHBondContact O-CA 3.28Å; I728-V783 WeakPolarHBondContact O-CG1 3.43Å; V783-S785 PolarHBondContact O-N 3.5Å; V783-M787 HydrophobicContact CG1-CB 4.26Å; V783-R788 HydrophobicContact CB-CG 4.14Å; V783-R788 HydrophobicContact CG1-CG 4.17Å; V783-R788 WeakPolarHBondContact O-CG 3.34Å; V783-R788 PolarHBondContact O-NE 3.36Å; V783-I792 HydrophobicContact CG1-CB 4.08Å; V783-I792 HydrophobicContact CG1-CD1 3.96Å; V783-I792 HydrophobicContact CG1-CG2 4.17Å; V783-I792 HydrophobicContact CG2-CB 4.07Å; V783-I792 HydrophobicContact CG2-CG2 3.78Å; V783-A793 HydrophobicContact CG2-CB 3.93Å
784	F	94.1	Very high	94.4	Very high	24 Å²	24	42.2 Å²	42.2	11%	0.105	20%	0.196	C	C	.	.			trans	-51.6	133	178.1	174	-133.7	0	0	0	110.6	F653 I728 W782 M786 M787 R788	F653-F784 HydrophobicContact CE1-CD2 4.48Å; F653-F784 HydrophobicContact CE1-CE2 4.05Å; F653-F784 HydrophobicContact CE1-CZ 4.3Å; F653-F784 AromaticContact CE2-CD2 3.67Å; F653-F784 HydrophobicContact CE2-CD2 3.67Å; F653-F784 AromaticContact CE2-CE2 3.89Å; F653-F784 HydrophobicContact CE2-CE2 3.89Å; F653-F784 HydrophobicContact CE2-CG 4.47Å; F653-F784 HydrophobicContact CZ-CD1 4.47Å; F653-F784 AromaticContact CZ-CD2 3.37Å; F653-F784 HydrophobicContact CZ-CD2 3.37Å; F653-F784 HydrophobicContact CZ-CE1 4.41Å; F653-F784 AromaticContact CZ-CE2 3.33Å; F653-F784 HydrophobicContact CZ-CE2 3.33Å; F653-F784 AromaticContact CZ-CG 4Å; F653-F784 HydrophobicContact CZ-CG 4Å; F653-F784 AromaticContact CZ-CZ 3.89Å; F653-F784 HydrophobicContact CZ-CZ 3.89Å; I728-F784 HydrophobicContact CB-CB 4.46Å; I728-F784 PolarHBondContact O-N 2.91Å; W782-F784 HydrophobicContact CH2-CB 3.61Å; W782-F784 HydrophobicContact CH2-CD2 4.48Å; W782-F784 HydrophobicContact CH2-CG 4.45Å; W782-F784 HydrophobicContact CZ2-CB 4.08Å; W782-F784 HydrophobicContact CZ2-CD2 4.46Å; W782-F784 HydrophobicContact CZ3-CB 4.14Å; F784-M786 HydrophobicContact CD1-CB 4.3Å; F784-M786 HydrophobicContact CE1-CB 3.78Å; F784-M786 HydrophobicContact CE1-CG 4.06Å; F784-M786 HydrophobicContact CE1-SD 3.98Å; F784-M786 HydrophobicContact CZ-CB 4.13Å; F784-M786 HydrophobicContact CZ-CE 4.32Å; F784-M786 HydrophobicContact CZ-CG 3.9Å; F784-M786 HydrophobicContact CZ-SD 3.74Å; F784-M786 PolarHBondContact O-N 3Å; F784-M787 HydrophobicContact CB-CB 4.48Å; F784-M787 HydrophobicContact CD1-CB 4.49Å; F784-M787 HydrophobicContact CD1-CG 3.89Å; F784-M787 CarbonylContact O-C 3.57Å; F784-M787 WeakPolarHBondContact O-CA 3.18Å; F784-M787 PolarHBondContact O-N 3.38Å; F784-R788 PolarHBondContact O-N 2.9Å
785	S	90.9	Very high	94.5	Very high	48 Å²	48	43.9 Å²	43.9	34%	0.336	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-47.1	-51.9	-169.1	54.4	0	0	0	0	113.7	V783 M787 R788	V783-S785 PolarHBondContact O-N 3.5Å; S785-M787 PolarHBondContact O-N 2.68Å; S785-M787 VanDerWaalsContact O-N 3.14Å; S785-R788 WeakPolarHBondContact O-CB 3.46Å; S785-R788 PolarHBondContact O-N 3.38Å; S785-R788 VanDerWaalsContact O-N 3.12Å
786	M	89.9	Confident	94.7	Very high	77 Å²	77	41.9 Å²	41.9	38%	0.379	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-68.1	-11	179	-58.6	176.3	-174.9	0	0	114.8	C628 N629 F784 K790	C628-M786 WeakPolarHBondContact O-CE 3.5Å; N629-M786 VanDerWaalsContact C-CE 3.49Å; F784-M786 HydrophobicContact CD1-CB 4.3Å; F784-M786 HydrophobicContact CE1-CB 3.78Å; F784-M786 HydrophobicContact CE1-CG 4.06Å; F784-M786 HydrophobicContact CE1-SD 3.98Å; F784-M786 HydrophobicContact CZ-CB 4.13Å; F784-M786 HydrophobicContact CZ-CE 4.32Å; F784-M786 HydrophobicContact CZ-CG 3.9Å; F784-M786 HydrophobicContact CZ-SD 3.74Å; F784-M786 PolarHBondContact O-N 3Å; M786-K790 PolarHBondContact O-NZ 3.35Å
787	M	92.7	Very high	94.8	Very high	39 Å²	39	41.9 Å²	41.9	19%	0.192	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-110.2	-0.7	177.4	-59.4	-61.2	-80	0	0	112.8	I728 V783 F784 S785 K790 I792	I728-M787 HydrophobicContact CB-CB 4.38Å; I728-M787 HydrophobicContact CB-CG 4.23Å; I728-M787 HydrophobicContact CD1-CB 4.38Å; I728-M787 HydrophobicContact CD1-CE 3.54Å; I728-M787 HydrophobicContact CD1-CG 4.24Å; I728-M787 HydrophobicContact CG2-CG 4.24Å; V783-M787 HydrophobicContact CG1-CB 4.26Å; F784-M787 HydrophobicContact CB-CB 4.48Å; F784-M787 HydrophobicContact CD1-CB 4.49Å; F784-M787 HydrophobicContact CD1-CG 3.89Å; F784-M787 CarbonylContact O-C 3.57Å; F784-M787 WeakPolarHBondContact O-CA 3.18Å; F784-M787 PolarHBondContact O-N 3.38Å; S785-M787 PolarHBondContact O-N 2.68Å; S785-M787 VanDerWaalsContact O-N 3.14Å; M787-K790 HydrophobicContact CE-CD 4.11Å; M787-K790 HydrophobicContact SD-CD 3.98Å; M787-K790 PolarHBondContact SD-NZ 2.76Å; M787-I792 HydrophobicContact CB-CD1 3.82Å; M787-I792 WeakPolarHBondContact O-CD1 3.48Å
788	R	94.4	Very high	94.9	Very high	84 Å²	84	45 Å²	45	32%	0.317	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	163.1	170.6	-66.8	-175	-170.5	177	13.5	110.8	D701 V783 F784 S785 K790 D823	D701-R788 IonicContact OD2-NH2 3.38Å; V783-R788 HydrophobicContact CB-CG 4.14Å; V783-R788 HydrophobicContact CG1-CG 4.17Å; V783-R788 WeakPolarHBondContact O-CG 3.34Å; V783-R788 PolarHBondContact O-NE 3.36Å; F784-R788 PolarHBondContact O-N 2.9Å; S785-R788 WeakPolarHBondContact O-CB 3.46Å; S785-R788 PolarHBondContact O-N 3.38Å; S785-R788 VanDerWaalsContact O-N 3.12Å; R788-K790 PolarHBondContact O-N 3.3Å; R788-D823 IonicContact CZ-OD2 3.66Å; R788-D823 IonicContact NH1-OD2 2.68Å; R788-D823 PolarHBondContact NH1-OD2 3.47Å
789	R	94.6	Very high	95	Very high	191 Å²	191	45.2 Å²	45.2	72%	0.721	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	-15.7	-175.2	-43.6	-53.5	-67.4	-178.1	-3.1	116.7	K791	R789-K791 PolarHBondContact O-N 2.85Å
790	K	95.3	Very high	95.2	Very high	107 Å²	107	45 Å²	45	47%	0.465	21%	0.206	S	C	.	.	S	Bend	trans	-71.9	32	175.5	-61.9	171.2	-177.3	157.3	0	114.6	M786 M787 R788 I792 R795	M786-K790 PolarHBondContact O-NZ 3.35Å; M787-K790 HydrophobicContact CE-CD 4.11Å; M787-K790 HydrophobicContact SD-CD 3.98Å; M787-K790 PolarHBondContact SD-NZ 2.76Å; R788-K790 PolarHBondContact O-N 3.3Å; K790-I792 HydrophobicContact CB-CG1 4.41Å; K790-I792 PolarHBondContact O-N 2.94Å; K790-R795 PolarHBondContact O-NH2 3.4Å
791	K	96.1	Very high	95.5	Very high	135 Å²	135	44.7 Å²	44.7	59%	0.587	21%	0.205	S	C	*	.	S	Bend	trans	49.9	20.6	-178.3	-62.1	-73.2	-174.6	173.2	0	115.6	R789 S794 R795	R789-K791 PolarHBondContact O-N 2.85Å; K791-S794 PolarHBondContact O-N 3.44Å; K791-R795 WeakPolarHBondContact O-CG 3.46Å; K791-R795 PolarHBondContact O-N 3.39Å; K791-R795 VanDerWaalsContact O-N 3.12Å; K791-R795 PolarHBondContact O-NE 3.45Å
792	I	97.1	Very high	95.5	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-56.7	-180	-67	174.5	0	0	0	110.3	F720 I728 V783 M787 K790 S794 R795 M796	F720-I792 HydrophobicContact CB-CG2 3.95Å; F720-I792 HydrophobicContact CD2-CG2 3.77Å; F720-I792 HydrophobicContact CE2-CG2 4.47Å; F720-I792 HydrophobicContact CG-CG2 3.85Å; I728-I792 HydrophobicContact CD1-CD1 3.54Å; I728-I792 HydrophobicContact CG1-CD1 4.11Å; V783-I792 HydrophobicContact CG1-CB 4.08Å; V783-I792 HydrophobicContact CG1-CD1 3.96Å; V783-I792 HydrophobicContact CG1-CG2 4.17Å; V783-I792 HydrophobicContact CG2-CB 4.07Å; V783-I792 HydrophobicContact CG2-CG2 3.78Å; M787-I792 HydrophobicContact CB-CD1 3.82Å; M787-I792 WeakPolarHBondContact O-CD1 3.48Å; K790-I792 HydrophobicContact CB-CG1 4.41Å; K790-I792 PolarHBondContact O-N 2.94Å; I792-S794 VanDerWaalsContact C-N 3.27Å; I792-S794 PolarHBondContact O-N 3.04Å; I792-R795 WeakPolarHBondContact O-CB 3.1Å; I792-R795 PolarHBondContact O-N 2.72Å; I792-M796 HydrophobicContact CG2-CG 4.36Å; I792-M796 HydrophobicContact CG2-SD 3.91Å; I792-M796 WeakPolarHBondContact O-CG 3.33Å; I792-M796 PolarHBondContact O-N 3.04Å
793	A	97.1	Very high	95.4	Very high	15 Å²	15	47.6 Å²	47.6	12%	0.124	23%	0.226	C	C	.	.	H	α-helix	trans	-54.6	-40.4	178.5	0	0	0	0	0	112.9	I781 V783 R795 M796 I797 F827	I781-A793 HydrophobicContact CD1-CB 3.92Å; I781-A793 HydrophobicContact CG1-CB 4.4Å; V783-A793 HydrophobicContact CG2-CB 3.93Å; A793-R795 PolarHBondContact O-N 3.25Å; A793-M796 PolarHBondContact O-N 3.01Å; A793-I797 PolarHBondContact O-N 3.19Å; A793-F827 HydrophobicContact CB-CD2 4.04Å; A793-F827 HydrophobicContact CB-CE1 4.27Å; A793-F827 HydrophobicContact CB-CE2 3.43Å; A793-F827 VanDerWaalsContact CB-CE2 3.43Å; A793-F827 HydrophobicContact CB-CZ 3.58Å
794	S	96.9	Very high	95.3	Very high	27 Å²	27	47.5 Å²	47.5	19%	0.189	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-43	175.2	-50.7	0	0	0	0	112.4	K791 I792 M796 I797 E798	K791-S794 PolarHBondContact O-N 3.44Å; I792-S794 VanDerWaalsContact C-N 3.27Å; I792-S794 PolarHBondContact O-N 3.04Å; S794-M796 VanDerWaalsContact C-N 3.35Å; S794-I797 PolarHBondContact O-N 2.98Å; S794-E798 WeakPolarHBondContact O-CB 3.48Å; S794-E798 PolarHBondContact O-N 2.87Å
795	R	97.2	Very high	95.3	Very high	39 Å²	39	49.3 Å²	49.3	15%	0.147	24%	0.235	C	C	.	.	H	α-helix	trans	-68.2	-33.1	176.3	-72.2	178.5	-78.2	165.5	-8.1	112.6	Y671 D673 I676 K790 K791 I792 A793 E798 C799	Y671-R795 VanDerWaalsContact CE1-CD 3.46Å; Y671-R795 HydrophobicContact CE1-CG 4.06Å; Y671-R795 HydrophobicContact CE2-CB 4.17Å; Y671-R795 HydrophobicContact CE2-CG 4.41Å; Y671-R795 VanDerWaalsContact CG-NH1 3.3Å; D673-R795 IonicContact OD1-CZ 2.76Å; D673-R795 IonicContact OD1-NH1 2.71Å; D673-R795 PolarHBondContact OD1-NH1 2.82Å; D673-R795 IonicContact OD1-NH2 3.55Å; D673-R795 IonicContact OD2-CZ 3.25Å; D673-R795 IonicContact OD2-NH1 2.59Å; D673-R795 PolarHBondContact OD2-NH1 3.2Å; D673-R795 IonicContact OD2-NH2 3.88Å; D673-R795 PolarHBondContact OD2-NH2 3.12Å; I676-R795 HydrophobicContact CD1-CB 3.99Å; K790-R795 PolarHBondContact O-NH2 3.4Å; K791-R795 WeakPolarHBondContact O-CG 3.46Å; K791-R795 PolarHBondContact O-N 3.39Å; K791-R795 VanDerWaalsContact O-N 3.12Å; K791-R795 PolarHBondContact O-NE 3.45Å; I792-R795 WeakPolarHBondContact O-CB 3.1Å; I792-R795 PolarHBondContact O-N 2.72Å; A793-R795 PolarHBondContact O-N 3.25Å; R795-E798 PolarHBondContact O-N 3.35Å; R795-C799 PolarHBondContact O-N 3.16Å; R795-C799 PolarHBondContact O-SG 2.98Å
796	M	97.7	Very high	95.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-67.9	-42.8	175.1	-64.5	-177.4	79	0	0	112.1	I676 L718 F720 L731 I792 A793 S794 E798 C799 L800	I676-M796 HydrophobicContact CD1-CB 4.5Å; I676-M796 HydrophobicContact CD1-CG 3.84Å; I676-M796 HydrophobicContact CG1-CG 4.46Å; L718-M796 HydrophobicContact CB-CE 4.09Å; L718-M796 WeakPolarHBondContact CD2-O 3.49Å; L718-M796 WeakPolarHBondContact O-CE 3.35Å; F720-M796 HydrophobicContact CB-CE 4.32Å; F720-M796 HydrophobicContact CB-CG 4.39Å; F720-M796 HydrophobicContact CB-SD 3.9Å; F720-M796 HydrophobicContact CD2-CG 4.47Å; L731-M796 HydrophobicContact CB-CB 4.46Å; L731-M796 HydrophobicContact CB-CE 3.83Å; L731-M796 HydrophobicContact CD1-CB 4.07Å; I792-M796 HydrophobicContact CG2-CG 4.36Å; I792-M796 HydrophobicContact CG2-SD 3.91Å; I792-M796 WeakPolarHBondContact O-CG 3.33Å; I792-M796 PolarHBondContact O-N 3.04Å; A793-M796 PolarHBondContact O-N 3.01Å; S794-M796 VanDerWaalsContact C-N 3.35Å; M796-E798 VanDerWaalsContact C-N 3.34Å; M796-C799 PolarHBondContact O-N 3.03Å; M796-L800 WeakPolarHBondContact O-CB 3.32Å; M796-L800 PolarHBondContact O-N 3.23Å
797	I	97	Very high	95.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.8	-36.3	171.8	-62.9	-174.9	0	0	0	111.3	L731 I778 I781 A793 S794 C799 L800 R801 I815 F817 F827 Y831	L731-I797 HydrophobicContact CD1-CG1 3.72Å; I778-I797 HydrophobicContact CD1-CD1 3.46Å; I778-I797 VanDerWaalsContact CD1-CD1 3.46Å; I778-I797 HydrophobicContact CD1-CG1 3.78Å; I781-I797 HydrophobicContact CD1-CD1 3.9Å; I781-I797 HydrophobicContact CD1-CG1 4.01Å; A793-I797 PolarHBondContact O-N 3.19Å; S794-I797 PolarHBondContact O-N 2.98Å; I797-C799 PolarHBondContact O-N 2.9Å; I797-L800 WeakPolarHBondContact O-CB 3.49Å; I797-L800 PolarHBondContact O-N 2.82Å; I797-R801 HydrophobicContact CG2-CG 4.01Å; I797-R801 WeakPolarHBondContact O-CB 3.3Å; I797-R801 VanDerWaalsContact O-CG 3.25Å; I797-R801 WeakPolarHBondContact O-CG 3.36Å; I797-R801 PolarHBondContact O-N 2.97Å; I797-I815 HydrophobicContact CG2-CD1 3.95Å; I797-F817 HydrophobicContact CD1-CE1 3.89Å; I797-F817 HydrophobicContact CD1-CZ 3.87Å; I797-F827 HydrophobicContact CD1-CE1 3.52Å; I797-F827 HydrophobicContact CD1-CZ 3.8Å; I797-F827 HydrophobicContact CG1-CZ 4.5Å; I797-Y831 HydrophobicContact CB-CE1 4.24Å; I797-Y831 HydrophobicContact CB-CE2 4.35Å; I797-Y831 HydrophobicContact CD1-CD1 4.46Å; I797-Y831 HydrophobicContact CG2-CD1 4.29Å; I797-Y831 HydrophobicContact CG2-CE1 3.49Å; I797-Y831 VanDerWaalsContact CG2-CE1 3.49Å; I797-Y831 HydrophobicContact CG2-CE2 4.39Å
798	E	96.7	Very high	95.4	Very high	65 Å²	65	58.9 Å²	58.9	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-63.5	-41	177.1	-156.9	59.4	-155.2	0	0	112.7	S794 R795 M796 R801 S802 Y809 Y831	S794-E798 WeakPolarHBondContact O-CB 3.48Å; S794-E798 PolarHBondContact O-N 2.87Å; R795-E798 PolarHBondContact O-N 3.35Å; M796-E798 VanDerWaalsContact C-N 3.34Å; E798-R801 IonicContact OE1-NH1 3.66Å; E798-R801 PolarHBondContact OE1-NH1 2.61Å; E798-R801 IonicContact OE2-NH1 3.64Å; E798-R801 PolarHBondContact OE2-NH1 3.17Å; E798-S802 PolarHBondContact O-N 3.16Å; E798-S802 PolarHBondContact O-OG 2.93Å; E798-Y809 WeakPolarHBondContact OE1-CE2 3.32Å; E798-Y809 PolarHBondContact OE1-OH 3.22Å; E798-Y831 PolarHBondContact OE2-OH 3.44Å
799	C	96.5	Very high	95.5	Very high	7 Å²	7	60.7 Å²	60.7	5%	0.047	30%	0.299	C	S	.	.	H	α-helix	trans	-66.4	-38.8	172	-68	0	0	0	0	112.2	L668 A669 I676 L718 R795 M796 I797 S802 N803	L668-C799 HydrophobicContact CB-CB 4.22Å; L668-C799 HydrophobicContact CD1-CB 3.96Å; A669-C799 VanDerWaalsContact CB-SG 3.55Å; I676-C799 HydrophobicContact CD1-CB 4.39Å; I676-C799 HydrophobicContact CG2-CB 4.11Å; L718-C799 HydrophobicContact CD2-CB 3.8Å; R795-C799 PolarHBondContact O-N 3.16Å; R795-C799 PolarHBondContact O-SG 2.98Å; M796-C799 PolarHBondContact O-N 3.03Å; I797-C799 PolarHBondContact O-N 2.9Å; C799-S802 PolarHBondContact O-N 2.78Å; C799-N803 WeakPolarHBondContact O-CB 3.33Å; C799-N803 PolarHBondContact O-N 3.29Å; C799-N803 PolarHBondContact O-ND2 3.17Å
800	L	96.7	Very high	95.5	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-53.3	175.8	178.6	69.3	0	0	0	111	L718 L731 A733 I778 M796 I797 S802 N803 F804	L718-L800 HydrophobicContact CD1-CD1 4.08Å; L718-L800 HydrophobicContact CD2-CB 4.03Å; L731-L800 HydrophobicContact CD1-CD2 4.22Å; L731-L800 HydrophobicContact CD2-CD1 4.22Å; L731-L800 HydrophobicContact CD2-CD2 3.76Å; L731-L800 HydrophobicContact CD2-CG 4.48Å; A733-L800 HydrophobicContact CB-CD1 3.45Å; A733-L800 VanDerWaalsContact CB-CD1 3.45Å; A733-L800 HydrophobicContact CB-CD2 4.13Å; A733-L800 HydrophobicContact CB-CG 4.41Å; I778-L800 HydrophobicContact CD1-CD2 3.99Å; I778-L800 HydrophobicContact CG1-CD2 3.89Å; M796-L800 WeakPolarHBondContact O-CB 3.32Å; M796-L800 PolarHBondContact O-N 3.23Å; I797-L800 WeakPolarHBondContact O-CB 3.49Å; I797-L800 PolarHBondContact O-N 2.82Å; L800-S802 PolarHBondContact O-N 3.48Å; L800-S802 VanDerWaalsContact O-N 3.14Å; L800-N803 CarbonylContact O-C 3.46Å; L800-N803 PolarHBondContact O-N 3.04Å; L800-F804 HydrophobicContact CD1-CB 4.09Å; L800-F804 HydrophobicContact CD1-CD2 3.72Å; L800-F804 HydrophobicContact CD1-CG 4.28Å; L800-F804 HydrophobicContact CG-CB 4.42Å; L800-F804 VanDerWaalsContact O-CB 3.25Å; L800-F804 WeakPolarHBondContact O-CB 3.45Å; L800-F804 PolarHBondContact O-N 2.76Å
801	R	96.4	Very high	95.5	Very high	17 Å²	17	48.4 Å²	48.4	6%	0.064	26%	0.256	C	S	.	.	H	α-helix	trans	-54.5	-35.5	179.5	-71.3	170.1	70.9	-133.5	-11	112.4	I797 E798 Y809 L810 S811 I815 Y831	I797-R801 HydrophobicContact CG2-CG 4.01Å; I797-R801 WeakPolarHBondContact O-CB 3.3Å; I797-R801 VanDerWaalsContact O-CG 3.25Å; I797-R801 WeakPolarHBondContact O-CG 3.36Å; I797-R801 PolarHBondContact O-N 2.97Å; E798-R801 IonicContact OE1-NH1 3.66Å; E798-R801 PolarHBondContact OE1-NH1 2.61Å; E798-R801 IonicContact OE2-NH1 3.64Å; E798-R801 PolarHBondContact OE2-NH1 3.17Å; R801-Y809 HydrophobicContact CB-CD2 4.35Å; R801-Y809 HydrophobicContact CB-CE2 4.24Å; R801-Y809 VanDerWaalsContact CZ-OH 3.31Å; R801-Y809 PolarHBondContact NH1-OH 3.14Å; R801-Y809 VanDerWaalsContact NH2-CZ 3.27Å; R801-Y809 PolarHBondContact NH2-OH 3.19Å; R801-Y809 WeakPolarHBondContact O-CA 3.5Å; R801-L810 HydrophobicContact CB-CB 4.21Å; R801-L810 HydrophobicContact CG-CB 4.16Å; R801-L810 VanDerWaalsContact CZ-O 3.23Å; R801-L810 PolarHBondContact NE-O 3.11Å; R801-L810 PolarHBondContact NH2-O 2.9Å; R801-L810 PolarHBondContact O-N 3.06Å; R801-S811 PolarHBondContact NE-O 3.31Å; R801-I815 HydrophobicContact CG-CD1 3.5Å; R801-Y831 WeakPolarHBondContact CD-OH 3.36Å; R801-Y831 PolarHBondContact NH1-OH 3.44Å; R801-Y831 VanDerWaalsContact NH1-OH 3.11Å
802	S	95.9	Very high	95.4	Very high	54 Å²	54	45.3 Å²	45.3	38%	0.378	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-9.3	-179.7	-48.9	0	0	0	0	115.1	E798 C799 L800 Y809	E798-S802 PolarHBondContact O-N 3.16Å; E798-S802 PolarHBondContact O-OG 2.93Å; C799-S802 PolarHBondContact O-N 2.78Å; L800-S802 PolarHBondContact O-N 3.48Å; L800-S802 VanDerWaalsContact O-N 3.14Å; S802-Y809 WeakPolarHBondContact OG-CD2 3.38Å
803	N	94.8	Very high	95.3	Very high	54 Å²	54	50.3 Å²	50.3	29%	0.289	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	-4.6	-171.5	-67.6	-89.5	0	0	0	114.9	L668 M678 C799 L800	L668-N803 HydrophobicContact CD1-CB 3.95Å; L668-N803 HydrophobicContact CD2-CB 4.28Å; M678-N803 HydrophobicContact CE-CB 4.41Å; C799-N803 WeakPolarHBondContact O-CB 3.33Å; C799-N803 PolarHBondContact O-N 3.29Å; C799-N803 PolarHBondContact O-ND2 3.17Å; L800-N803 CarbonylContact O-C 3.46Å; L800-N803 PolarHBondContact O-N 3.04Å
804	F	94.1	Very high	95.2	Very high	9 Å²	9	52.6 Å²	52.6	4%	0.039	27%	0.274	C	S	.	.	S	Bend	trans	-70.3	-40	-178.8	-171.8	-98.9	0	0	0	111.8	K716 A733 E734 H735 I775 C776 L800 L810	K716-F804 HydrophobicContact CD-CD2 3.92Å; K716-F804 HydrophobicContact CD-CE2 4.21Å; K716-F804 HydrophobicContact CG-CE2 4.44Å; K716-F804 PolarHBondContact NZ-O 2.85Å; A733-F804 HydrophobicContact CB-CD2 4.09Å; A733-F804 HydrophobicContact CB-CE2 3.88Å; E734-F804 WeakPolarHBondContact O-CZ 3.34Å; H735-F804 HydrophobicContact CB-CZ 4.15Å; I775-F804 HydrophobicContact CG2-CD1 4.25Å; I775-F804 HydrophobicContact CG2-CE1 4.1Å; C776-F804 HydrophobicContact CB-CD1 3.83Å; C776-F804 HydrophobicContact CB-CE1 3.88Å; C776-F804 HydrophobicContact CB-CG 4.19Å; C776-F804 HydrophobicContact CB-CZ 4.28Å; L800-F804 HydrophobicContact CD1-CB 4.09Å; L800-F804 HydrophobicContact CD1-CD2 3.72Å; L800-F804 HydrophobicContact CD1-CG 4.28Å; L800-F804 HydrophobicContact CG-CB 4.42Å; L800-F804 VanDerWaalsContact O-CB 3.25Å; L800-F804 WeakPolarHBondContact O-CB 3.45Å; L800-F804 PolarHBondContact O-N 2.76Å; F804-L810 HydrophobicContact CB-CD1 3.94Å; F804-L810 HydrophobicContact CD1-CD1 4.01Å; F804-L810 HydrophobicContact CG-CD1 4.27Å
805	I	93.3	Very high	95.1	Very high	63 Å²	63	51.5 Å²	51.5	32%	0.323	27%	0.266	S	S	.	.	S	Bend	trans	-111.4	143.3	161.6	-68.5	179.1	0	0	0	107.6	I775 S808 L810	I775-I805 HydrophobicContact CG2-CD1 3.64Å; I775-I805 HydrophobicContact CG2-CG1 4.42Å; I805-S808 WeakPolarHBondContact CB-OG 3.29Å; I805-S808 VanDerWaalsContact CG2-OG 3.27Å; I805-S808 WeakPolarHBondContact CG2-OG 3.26Å; I805-L810 HydrophobicContact CD1-CD2 4.49Å
806	Y	91.8	Very high	95	Very high	232 Å²	232	49.6 Å²	49.6	91%	0.91	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	124	179.8	179.3	-96.3	0	0	0	110.3	S808	Y806-S808 VanDerWaalsContact C-N 3.35Å
807	G	90.9	Very high	94.8	Very high	80 Å²	80	50 Å²	50	83%	0.825	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	83	2.7	176.5	0	0	0	0	0	115.6
808	S	93.3	Very high	94.5	Very high	53 Å²	53	50.8 Å²	50.8	37%	0.371	27%	0.266	S	S	.	.			trans	-121.6	164.4	167.9	71.5	0	0	0	0	111.3	I805 Y806	I805-S808 WeakPolarHBondContact CB-OG 3.29Å; I805-S808 VanDerWaalsContact CG2-OG 3.27Å; I805-S808 WeakPolarHBondContact CG2-OG 3.26Å; Y806-S808 VanDerWaalsContact C-N 3.35Å
809	Y	96	Very high	94	Very high	122 Å²	122	51.9 Å²	51.9	48%	0.478	27%	0.274	S	S	.	.			trans	-127	112.6	178.7	170.3	-95.2	0	0	0	107.9	E798 R801 S802	E798-Y809 WeakPolarHBondContact OE1-CE2 3.32Å; E798-Y809 PolarHBondContact OE1-OH 3.22Å; R801-Y809 HydrophobicContact CB-CD2 4.35Å; R801-Y809 HydrophobicContact CB-CE2 4.24Å; R801-Y809 VanDerWaalsContact CZ-OH 3.31Å; R801-Y809 PolarHBondContact NH1-OH 3.14Å; R801-Y809 VanDerWaalsContact NH2-CZ 3.27Å; R801-Y809 PolarHBondContact NH2-OH 3.19Å; R801-Y809 WeakPolarHBondContact O-CA 3.5Å; S802-Y809 WeakPolarHBondContact OG-CD2 3.38Å
810	L	95.6	Very high	93.7	Very high	2 Å²	2	53 Å²	53	1%	0.01	28%	0.281	C	S	.	.			trans	-65.6	145.6	-172.4	-61.2	179.1	0	0	0	112	I775 C776 R801 F804 I805 E814	I775-L810 HydrophobicContact CB-CD2 4.37Å; I775-L810 HydrophobicContact CD1-CD2 4.08Å; I775-L810 HydrophobicContact CG2-CD2 4.12Å; C776-L810 HydrophobicContact CB-CD1 3.59Å; R801-L810 HydrophobicContact CB-CB 4.21Å; R801-L810 HydrophobicContact CG-CB 4.16Å; R801-L810 VanDerWaalsContact CZ-O 3.23Å; R801-L810 PolarHBondContact NE-O 3.11Å; R801-L810 PolarHBondContact NH2-O 2.9Å; R801-L810 PolarHBondContact O-N 3.06Å; F804-L810 HydrophobicContact CB-CD1 3.94Å; F804-L810 HydrophobicContact CD1-CD1 4.01Å; F804-L810 HydrophobicContact CG-CD1 4.27Å; I805-L810 HydrophobicContact CD1-CD2 4.49Å; L810-E814 WeakPolarHBondContact CA-OE2 3.46Å; L810-E814 WeakPolarHBondContact CD2-OE2 3.46Å
811	S	95.1	Very high	93.4	Very high	38 Å²	38	55.3 Å²	55.3	27%	0.266	30%	0.295	S	S	.	.			trans	-66.2	-176.2	166.2	103.1	0	0	0	0	110.7	R801 E813 E814 I815	R801-S811 PolarHBondContact NE-O 3.31Å; S811-E813 WeakPolarHBondContact CB-OE2 3.2Å; S811-E813 PolarHBondContact OG-N 3.04Å; S811-E813 PolarHBondContact OG-OE2 3.41Å; S811-E814 PolarHBondContact N-OE2 3.24Å; S811-E814 PolarHBondContact OG-N 3.47Å; S811-E814 VanDerWaalsContact OG-N 3.15Å; S811-I815 WeakPolarHBondContact O-CD1 3.34Å
812	K	94.4	Very high	93	Very high	69 Å²	69	59.3 Å²	59.3	30%	0.3	32%	0.323	S	S	.	.	S	Bend	trans	-89.3	-24.1	171.8	-53.7	-168.7	-161.2	174.9	0	112	I815 Y831 C832	K812-I815 PolarHBondContact O-N 3.49Å; K812-Y831 HydrophobicContact CD-CE1 4.34Å; K812-Y831 HydrophobicContact CG-CE1 4.44Å; K812-Y831 PolarHBondContact NZ-O 3.29Å; K812-C832 PolarHBondContact NZ-O 3.17Å
813	E	93.4	Very high	92.8	Very high	108 Å²	108	60.3 Å²	60.3	51%	0.505	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-30.3	-178.4	-54.5	66.9	-144.7	0	0	110.7	S811 I815 L838	S811-E813 WeakPolarHBondContact CB-OE2 3.2Å; S811-E813 PolarHBondContact OG-N 3.04Å; S811-E813 PolarHBondContact OG-OE2 3.41Å; E813-I815 PolarHBondContact O-N 3.23Å; E813-I815 VanDerWaalsContact O-N 3.17Å; E813-L838 WeakPolarHBondContact O-CD1 3.35Å
814	E	94.7	Very high	92.6	Very high	63 Å²	63	58.3 Å²	58.3	29%	0.294	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	0.4	172.2	-67.4	174.5	142	0	0	114.2	I775 C776 L810 S811	I775-E814 HydrophobicContact CB-CB 4.42Å; I775-E814 HydrophobicContact CD1-CB 4.28Å; I775-E814 HydrophobicContact CD1-CG 4.05Å; I775-E814 WeakPolarHBondContact CD1-OE1 3.23Å; I775-E814 HydrophobicContact CG1-CB 4.33Å; I775-E814 HydrophobicContact CG1-CG 4.45Å; I775-E814 PolarHBondContact N-O 3.15Å; C776-E814 PolarHBondContact N-O 3.45Å; C776-E814 VanDerWaalsContact N-O 3.07Å; L810-E814 WeakPolarHBondContact CA-OE2 3.46Å; L810-E814 WeakPolarHBondContact CD2-OE2 3.46Å; S811-E814 PolarHBondContact N-OE2 3.24Å; S811-E814 PolarHBondContact OG-N 3.47Å; S811-E814 VanDerWaalsContact OG-N 3.15Å
815	I	95.6	Very high	92.4	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.2	-176.3	-48	173.1	0	0	0	109.9	C776 I778 I797 R801 S811 K812 E813	C776-I815 WeakPolarHBondContact O-CA 3.49Å; I778-I815 HydrophobicContact CD1-CG2 3.57Å; I778-I815 HydrophobicContact CG1-CG2 3.87Å; I797-I815 HydrophobicContact CG2-CD1 3.95Å; R801-I815 HydrophobicContact CG-CD1 3.5Å; S811-I815 WeakPolarHBondContact O-CD1 3.34Å; K812-I815 PolarHBondContact O-N 3.49Å; E813-I815 PolarHBondContact O-N 3.23Å; E813-I815 VanDerWaalsContact O-N 3.17Å
816	A	94.9	Very high	92.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	153.4	170.2	0	0	0	0	0	111.7	I736 A774 C776 G777 I778 L838 Y840	I736-A816 HydrophobicContact CD1-CB 3.61Å; A774-A816 HydrophobicContact CB-CB 4.46Å; C776-A816 PolarHBondContact O-N 3.3Å; G777-A816 CarbonylContact C-O 3.1Å; G777-A816 WeakPolarHBondContact CA-O 3.36Å; I778-A816 PolarHBondContact N-O 3.23Å; A816-L838 CarbonylContact C-O 3.5Å; A816-L838 VanDerWaalsContact CA-O 3.28Å; A816-L838 WeakPolarHBondContact CA-O 3.31Å; A816-L838 HydrophobicContact CB-CB 3.65Å; A816-Y840 HydrophobicContact CB-CD1 3.71Å; A816-Y840 HydrophobicContact CB-CE1 4.49Å; A816-Y840 HydrophobicContact CB-CG 4.45Å
817	F	93.7	Very high	92.5	Very high	8 Å²	8	52 Å²	52	4%	0.035	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134	176.1	-63.5	-97.3	0	0	0	110.3	I778 I797 F827 A828 F837 L838 V839 Y840	I778-F817 HydrophobicContact CB-CD1 4.06Å; I778-F817 HydrophobicContact CB-CE1 4.44Å; I778-F817 HydrophobicContact CD1-CD1 4.17Å; I778-F817 HydrophobicContact CD1-CE1 3.69Å; I778-F817 HydrophobicContact CD1-CZ 4.06Å; I778-F817 HydrophobicContact CG2-CD1 4.11Å; I778-F817 HydrophobicContact CG2-CE1 4.41Å; I797-F817 HydrophobicContact CD1-CE1 3.89Å; I797-F817 HydrophobicContact CD1-CZ 3.87Å; F817-F827 HydrophobicContact CE1-CD1 4.48Å; F817-F827 HydrophobicContact CE1-CE1 4.27Å; F817-A828 HydrophobicContact CD2-CB 4.04Å; F817-A828 HydrophobicContact CE1-CB 4.35Å; F817-A828 HydrophobicContact CE2-CB 3.74Å; F817-A828 HydrophobicContact CG-CB 4.48Å; F817-A828 HydrophobicContact CZ-CB 3.91Å; F817-F837 AromaticContact CD2-CD2 3.83Å; F817-F837 HydrophobicContact CD2-CD2 3.83Å; F817-F837 HydrophobicContact CD2-CE2 4.33Å; F817-F837 HydrophobicContact CE2-CD2 4.36Å; F817-L838 PolarHBondContact N-O 2.83Å; F817-V839 CarbonylContact O-C 3.58Å; F817-V839 WeakPolarHBondContact O-CA 3.44Å; F817-V839 WeakPolarHBondContact O-CB 3.35Å; F817-Y840 PolarHBondContact O-N 3.13Å
818	S	90.9	Very high	92.6	Very high	17 Å²	17	48.2 Å²	48.2	12%	0.119	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.8	171.5	66	0	0	0	0	109.8	I778 S779 Y840	I778-S818 PolarHBondContact O-N 3.43Å; I778-S818 PolarHBondContact O-OG 2.89Å; S779-S818 VanDerWaalsContact CA-OG 3.32Å; S779-S818 WeakPolarHBondContact CA-OG 3.22Å; S779-S818 PolarHBondContact O-OG 3.18Å; S818-Y840 WeakPolarHBondContact CA-O 3.42Å
819	D	86.7	Confident	92.6	Very high	88 Å²	88	47.4 Å²	47.4	47%	0.471	25%	0.25	S	S	.	.	S	Bend	trans	35	68.9	169.7	-167.9	23.8	0	0	0	114.7	T821 Y840	D819-T821 PolarHBondContact O-N 2.72Å; D819-T821 VanDerWaalsContact O-N 3.16Å; D819-Y840 PolarHBondContact N-O 3.15Å
820	P	89.5	Confident	92.5	Very high	31 Å²	31	47.9 Å²	47.9	20%	0.201	26%	0.257	C	S	.	.			trans	-72.5	113	-167.7	29.7	-36.8	0	0	0	112.3	F837 V839	P820-F837 HydrophobicContact CB-CE2 4.45Å; P820-F837 HydrophobicContact CG-CE2 4.2Å; P820-F837 HydrophobicContact CG-CZ 4.43Å; P820-V839 HydrophobicContact CG-CG1 3.64Å
821	T	89.3	Confident	92.4	Very high	49 Å²	49	49.1 Å²	49.1	30%	0.301	26%	0.262	S	S	.	.			trans	-53.4	160.9	168.1	68.3	0	0	0	0	111.8	D819 D823 G824 K825	D819-T821 PolarHBondContact O-N 2.72Å; D819-T821 VanDerWaalsContact O-N 3.16Å; T821-D823 VanDerWaalsContact C-N 3.27Å; T821-D823 PolarHBondContact O-N 2.54Å; T821-G824 CarbonylContact O-C 3.56Å; T821-G824 VanDerWaalsContact O-CA 3.28Å; T821-G824 WeakPolarHBondContact O-CA 3.25Å; T821-G824 PolarHBondContact O-N 3.37Å; T821-G824 PolarHBondContact OG1-N 2.87Å; T821-K825 PolarHBondContact O-N 3.36Å
822	P	88.7	Confident	92.3	Very high	101 Å²	101	48.1 Å²	48.1	66%	0.656	25%	0.254	S	S	*	.	H	α-helix	trans	-54	-41	179.5	-28.5	36.2	0	0	0	113.8	K825 L826	P822-K825 PolarHBondContact O-N 3.35Å; P822-L826 WeakPolarHBondContact O-CG 3.46Å; P822-L826 PolarHBondContact O-N 3.49Å
823	D	91	Very high	92.1	Very high	76 Å²	76	47.9 Å²	47.9	41%	0.406	27%	0.272	S	S	.	.	H	α-helix	trans	-63.2	-41.7	173.9	-126.6	24	0	0	0	111.1	R788 T821 F827	R788-D823 IonicContact CZ-OD2 3.66Å; R788-D823 IonicContact NH1-OD2 2.68Å; R788-D823 PolarHBondContact NH1-OD2 3.47Å; T821-D823 VanDerWaalsContact C-N 3.27Å; T821-D823 PolarHBondContact O-N 2.54Å; D823-F827 VanDerWaalsContact O-CB 3.31Å; D823-F827 WeakPolarHBondContact O-CB 3.41Å; D823-F827 PolarHBondContact O-N 3.31Å
824	G	91.9	Very high	91.8	Very high	12 Å²	12	46 Å²	46	12%	0.124	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-43.2	174.6	0	0	0	0	0	113.4	T821 F827 A828	T821-G824 CarbonylContact O-C 3.56Å; T821-G824 VanDerWaalsContact O-CA 3.28Å; T821-G824 WeakPolarHBondContact O-CA 3.25Å; T821-G824 PolarHBondContact O-N 3.37Å; T821-G824 PolarHBondContact OG1-N 2.87Å; G824-F827 PolarHBondContact O-N 3.27Å; G824-A828 VanDerWaalsContact O-CB 3.31Å; G824-A828 WeakPolarHBondContact O-CB 3.48Å; G824-A828 PolarHBondContact O-N 3.44Å
825	K	89.8	Confident	91.3	Very high	25 Å²	25	43.2 Å²	43.2	11%	0.109	26%	0.255	C	S	.	.	H	α-helix	trans	-65	-49.2	176.5	178.5	161.6	-166.5	-76.7	0	112	W765 T821 P822 F827 A828 T829 F837	W765-K825 HydrophobicContact CD2-CD 3.67Å; W765-K825 HydrophobicContact CE3-CD 4Å; W765-K825 HydrophobicContact CG-CD 4.2Å; W765-K825 HydrophobicContact CH2-CD 4.07Å; W765-K825 VanDerWaalsContact CH2-NZ 3.33Å; W765-K825 HydrophobicContact CZ2-CD 3.75Å; W765-K825 HydrophobicContact CZ3-CD 4.2Å; T821-K825 PolarHBondContact O-N 3.36Å; P822-K825 PolarHBondContact O-N 3.35Å; K825-F827 PolarHBondContact O-N 3.36Å; K825-A828 PolarHBondContact O-N 3.11Å; K825-A828 VanDerWaalsContact O-N 3.16Å; K825-T829 PolarHBondContact O-N 3.13Å; K825-T829 PolarHBondContact O-OG1 3.16Å; K825-F837 HydrophobicContact CB-CZ 4.27Å; K825-F837 HydrophobicContact CD-CZ 4.41Å; K825-F837 HydrophobicContact CG-CE1 3.99Å; K825-F837 HydrophobicContact CG-CZ 3.87Å
826	L	91.6	Very high	90.9	Very high	115 Å²	115	47.5 Å²	47.5	60%	0.602	28%	0.276	S	S	*	.	H	α-helix	trans	-58.7	-35.5	176.1	-71	173.3	0	0	0	111.7	P822 Q830	P822-L826 WeakPolarHBondContact O-CG 3.46Å; P822-L826 PolarHBondContact O-N 3.49Å; L826-Q830 VanDerWaalsContact O-CB 3.22Å; L826-Q830 WeakPolarHBondContact O-CB 3.32Å; L826-Q830 PolarHBondContact O-N 2.98Å
827	F	95	Very high	90.8	Very high	31 Å²	31	47.8 Å²	47.8	14%	0.136	28%	0.277	C	S	.	.	H	α-helix	trans	-71.5	-45.7	173.2	169.5	-96.2	0	0	0	113	I781 A793 I797 F817 D823 G824 K825 Q830 Y831	I781-F827 HydrophobicContact CD1-CD1 4.42Å; I781-F827 HydrophobicContact CD1-CE1 3.73Å; I781-F827 HydrophobicContact CD1-CZ 4.16Å; A793-F827 HydrophobicContact CB-CD2 4.04Å; A793-F827 HydrophobicContact CB-CE1 4.27Å; A793-F827 HydrophobicContact CB-CE2 3.43Å; A793-F827 VanDerWaalsContact CB-CE2 3.43Å; A793-F827 HydrophobicContact CB-CZ 3.58Å; I797-F827 HydrophobicContact CD1-CE1 3.52Å; I797-F827 HydrophobicContact CD1-CZ 3.8Å; I797-F827 HydrophobicContact CG1-CZ 4.5Å; F817-F827 HydrophobicContact CE1-CD1 4.48Å; F817-F827 HydrophobicContact CE1-CE1 4.27Å; D823-F827 VanDerWaalsContact O-CB 3.31Å; D823-F827 WeakPolarHBondContact O-CB 3.41Å; D823-F827 PolarHBondContact O-N 3.31Å; G824-F827 PolarHBondContact O-N 3.27Å; K825-F827 PolarHBondContact O-N 3.36Å; F827-Q830 PolarHBondContact O-N 3.46Å; F827-Y831 HydrophobicContact CZ-CD2 4.43Å; F827-Y831 HydrophobicContact CZ-CG 4.4Å; F827-Y831 WeakPolarHBondContact O-CB 3.3Å; F827-Y831 PolarHBondContact O-N 2.97Å
828	A	93.8	Very high	90.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-48.2	-178.1	0	0	0	0	0	111.5	F817 G824 K825 Q830 Y831 C832 F837	F817-A828 HydrophobicContact CD2-CB 4.04Å; F817-A828 HydrophobicContact CE1-CB 4.35Å; F817-A828 HydrophobicContact CE2-CB 3.74Å; F817-A828 HydrophobicContact CG-CB 4.48Å; F817-A828 HydrophobicContact CZ-CB 3.91Å; G824-A828 VanDerWaalsContact O-CB 3.31Å; G824-A828 WeakPolarHBondContact O-CB 3.48Å; G824-A828 PolarHBondContact O-N 3.44Å; K825-A828 PolarHBondContact O-N 3.11Å; K825-A828 VanDerWaalsContact O-N 3.16Å; A828-Q830 VanDerWaalsContact C-N 3.32Å; A828-Q830 PolarHBondContact O-N 3.29Å; A828-Y831 PolarHBondContact O-N 3.11Å; A828-C832 WeakPolarHBondContact O-CB 3.47Å; A828-C832 PolarHBondContact O-N 3.35Å; A828-C832 PolarHBondContact O-SG 3.42Å; A828-F837 HydrophobicContact CB-CD1 3.93Å; A828-F837 HydrophobicContact CB-CD2 3.77Å; A828-F837 HydrophobicContact CB-CE1 3.92Å; A828-F837 HydrophobicContact CB-CE2 3.74Å; A828-F837 HydrophobicContact CB-CG 3.87Å; A828-F837 HydrophobicContact CB-CZ 3.83Å
829	T	92.1	Very high	90.9	Very high	37 Å²	37	47.1 Å²	47.1	23%	0.227	27%	0.273	C	S	.	.	H	α-helix	trans	-55.8	-46.5	173.1	-64.6	0	0	0	0	111.4	K825 Y831 G833 T834	K825-T829 PolarHBondContact O-N 3.13Å; K825-T829 PolarHBondContact O-OG1 3.16Å; T829-Y831 PolarHBondContact O-N 3.03Å; T829-G833 PolarHBondContact O-N 3.41Å; T829-T834 WeakPolarHBondContact CA-O 3.37Å; T829-T834 PolarHBondContact O-N 3.15Å
830	Q	94.1	Very high	91.1	Very high	132 Å²	132	43.8 Å²	43.8	62%	0.617	25%	0.253	S	S	*	.	H	α-helix	trans	-70.1	-27.4	-179.8	-178.3	62	93.6	0	0	113.9	L826 F827 A828	L826-Q830 VanDerWaalsContact O-CB 3.22Å; L826-Q830 WeakPolarHBondContact O-CB 3.32Å; L826-Q830 PolarHBondContact O-N 2.98Å; F827-Q830 PolarHBondContact O-N 3.46Å; A828-Q830 VanDerWaalsContact C-N 3.32Å; A828-Q830 PolarHBondContact O-N 3.29Å
831	Y	94.6	Very high	90.7	Very high	27 Å²	27	45.7 Å²	45.7	11%	0.106	26%	0.262	C	S	.	.	H	α-helix	trans	-82.4	-42.8	177	-176.8	-96.9	0	0	0	111.8	I797 E798 R801 K812 F827 A828 T829	I797-Y831 HydrophobicContact CB-CE1 4.24Å; I797-Y831 HydrophobicContact CB-CE2 4.35Å; I797-Y831 HydrophobicContact CD1-CD1 4.46Å; I797-Y831 HydrophobicContact CG2-CD1 4.29Å; I797-Y831 HydrophobicContact CG2-CE1 3.49Å; I797-Y831 VanDerWaalsContact CG2-CE1 3.49Å; I797-Y831 HydrophobicContact CG2-CE2 4.39Å; E798-Y831 PolarHBondContact OE2-OH 3.44Å; R801-Y831 WeakPolarHBondContact CD-OH 3.36Å; R801-Y831 PolarHBondContact NH1-OH 3.44Å; R801-Y831 VanDerWaalsContact NH1-OH 3.11Å; K812-Y831 HydrophobicContact CD-CE1 4.34Å; K812-Y831 HydrophobicContact CG-CE1 4.44Å; K812-Y831 PolarHBondContact NZ-O 3.29Å; F827-Y831 HydrophobicContact CZ-CD2 4.43Å; F827-Y831 HydrophobicContact CZ-CG 4.4Å; F827-Y831 WeakPolarHBondContact O-CB 3.3Å; F827-Y831 PolarHBondContact O-N 2.97Å; A828-Y831 PolarHBondContact O-N 3.11Å; T829-Y831 PolarHBondContact O-N 3.03Å
832	C	92.1	Very high	89.8	Confident	17 Å²	17	46.1 Å²	46.1	12%	0.115	26%	0.26	C	S	.	.	H	α-helix	trans	-64.9	-44.5	175.7	-61	0	0	0	0	110.8	K812 A828 F837	K812-C832 PolarHBondContact NZ-O 3.17Å; A828-C832 WeakPolarHBondContact O-CB 3.47Å; A828-C832 PolarHBondContact O-N 3.35Å; A828-C832 PolarHBondContact O-SG 3.42Å; C832-F837 HydrophobicContact CB-CB 4.46Å
833	G	90.4	Very high	88.4	Confident	64 Å²	64	46.8 Å²	46.8	66%	0.66	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	7.5	-170.1	0	0	0	0	0	112.9	T829	T829-G833 PolarHBondContact O-N 3.41Å
834	T	88.1	Confident	86.1	Confident	70 Å²	70	49.8 Å²	49.8	43%	0.429	27%	0.273	S	S	.	.	S	Bend	trans	-139.4	145.1	-177.5	50.5	0	0	0	0	108.4	T829 Q836	T829-T834 WeakPolarHBondContact CA-O 3.37Å; T829-T834 PolarHBondContact O-N 3.15Å; T834-Q836 PolarHBondContact O-N 2.77Å; T834-Q836 PolarHBondContact OG1-O 2.69Å
835	G	83.4	Confident	83.4	Confident	3 Å²	3	52.5 Å²	52.5	3%	0.031	30%	0.302	C	S	.	.	S	Bend	trans	-68.1	-20.9	168.3	0	0	0	0	0	113.2	E744 F837	E744-G835 VanDerWaalsContact CD-CA 3.5Å; E744-G835 WeakPolarHBondContact OE2-CA 3.48Å; E744-G835 PolarHBondContact OE2-N 3.41Å; G835-F837 VanDerWaalsContact O-CD1 3.3Å; G835-F837 WeakPolarHBondContact O-CD1 3.27Å; G835-F837 PolarHBondContact O-N 3.48Å
836	Q	88.2	Confident	80.7	Confident	95 Å²	95	59.6 Å²	59.6	44%	0.444	34%	0.335	S	S	.	.			trans	-86.3	98.9	175.4	-60.1	176.3	2.3	0	0	111.1	R741 V742 E744 T834	R741-Q836 HydrophobicContact CG-CB 4.02Å; V742-Q836 WeakPolarHBondContact O-CA 3.42Å; E744-Q836 HydrophobicContact CB-CG 4.42Å; T834-Q836 PolarHBondContact O-N 2.77Å; T834-Q836 PolarHBondContact OG1-O 2.69Å
837	F	92.8	Very high	77.9	Confident	6 Å²	6	62.3 Å²	62.3	3%	0.026	34%	0.344	C	S	.	.			trans	-123.1	164.6	170	60.3	-89	0	0	0	109.6	V742 F817 P820 K825 A828 C832 G835 V839	V742-F837 HydrophobicContact CB-CE1 4.42Å; V742-F837 HydrophobicContact CB-CZ 4.46Å; V742-F837 HydrophobicContact CG1-CE1 4.47Å; V742-F837 HydrophobicContact CG2-CD2 4.12Å; V742-F837 HydrophobicContact CG2-CE1 4.33Å; V742-F837 HydrophobicContact CG2-CE2 3.79Å; V742-F837 HydrophobicContact CG2-CZ 3.89Å; V742-F837 WeakPolarHBondContact CG2-O 3.3Å; V742-F837 PolarHBondContact N-O 3.5Å; F817-F837 AromaticContact CD2-CD2 3.83Å; F817-F837 HydrophobicContact CD2-CD2 3.83Å; F817-F837 HydrophobicContact CD2-CE2 4.33Å; F817-F837 HydrophobicContact CE2-CD2 4.36Å; P820-F837 HydrophobicContact CB-CE2 4.45Å; P820-F837 HydrophobicContact CG-CE2 4.2Å; P820-F837 HydrophobicContact CG-CZ 4.43Å; K825-F837 HydrophobicContact CB-CZ 4.27Å; K825-F837 HydrophobicContact CD-CZ 4.41Å; K825-F837 HydrophobicContact CG-CE1 3.99Å; K825-F837 HydrophobicContact CG-CZ 3.87Å; A828-F837 HydrophobicContact CB-CD1 3.93Å; A828-F837 HydrophobicContact CB-CD2 3.77Å; A828-F837 HydrophobicContact CB-CE1 3.92Å; A828-F837 HydrophobicContact CB-CE2 3.74Å; A828-F837 HydrophobicContact CB-CG 3.87Å; A828-F837 HydrophobicContact CB-CZ 3.83Å; C832-F837 HydrophobicContact CB-CB 4.46Å; G835-F837 VanDerWaalsContact O-CD1 3.3Å; G835-F837 WeakPolarHBondContact O-CD1 3.27Å; G835-F837 PolarHBondContact O-N 3.48Å; F837-V839 HydrophobicContact CD2-CG1 4.12Å; F837-V839 HydrophobicContact CE2-CG1 3.64Å
838	L	93.8	Very high	74.8	Confident	4 Å²	4	70.3 Å²	70.3	2%	0.021	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	145.4	179.1	-58.4	-168.5	0	0	0	112.3	Y740 R741 E772 A774 E813 A816 F817	Y740-L838 CarbonylContact O-C 3.57Å; Y740-L838 WeakPolarHBondContact O-CA 3.37Å; R741-L838 HydrophobicContact CB-CD2 3.88Å; E772-L838 HydrophobicContact CB-CD1 4.25Å; E772-L838 HydrophobicContact CB-CD2 4.2Å; A774-L838 HydrophobicContact CB-CD1 3.85Å; E813-L838 WeakPolarHBondContact O-CD1 3.35Å; A816-L838 CarbonylContact C-O 3.5Å; A816-L838 VanDerWaalsContact CA-O 3.28Å; A816-L838 WeakPolarHBondContact CA-O 3.31Å; A816-L838 HydrophobicContact CB-CB 3.65Å; F817-L838 PolarHBondContact N-O 2.83Å
839	V	92.8	Very high	71.7	Confident	7 Å²	7	78.6 Å²	78.6	4%	0.042	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	156.8	170.9	-71.1	0	0	0	0	111.8	G739 Y740 V742 C767 F817 P820 F837 F842	G739-V839 CarbonylContact C-O 3.56Å; G739-V839 WeakPolarHBondContact CA-O 3.16Å; Y740-V839 PolarHBondContact N-O 3.34Å; Y740-V839 VanDerWaalsContact O-CG2 3.29Å; Y740-V839 WeakPolarHBondContact O-CG2 3.34Å; Y740-V839 PolarHBondContact O-N 3.13Å; V742-V839 HydrophobicContact CG2-CB 4.22Å; V742-V839 HydrophobicContact CG2-CG1 3.48Å; V742-V839 VanDerWaalsContact CG2-CG1 3.48Å; V742-V839 HydrophobicContact CG2-CG2 3.71Å; C767-V839 HydrophobicContact CB-CG2 4.32Å; F817-V839 CarbonylContact O-C 3.58Å; F817-V839 WeakPolarHBondContact O-CA 3.44Å; F817-V839 WeakPolarHBondContact O-CB 3.35Å; P820-V839 HydrophobicContact CG-CG1 3.64Å; F837-V839 HydrophobicContact CD2-CG1 4.12Å; F837-V839 HydrophobicContact CE2-CG1 3.64Å; V839-F842 HydrophobicContact CB-CD1 4.16Å; V839-F842 HydrophobicContact CB-CE1 4.41Å; V839-F842 HydrophobicContact CG2-CD1 3.8Å; V839-F842 HydrophobicContact CG2-CE1 3.74Å
840	Y	90.3	Very high	70.7	Confident	17 Å²	17	80.7 Å²	80.7	7%	0.067	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	172.7	173.6	76.1	-72.9	0	0	0	110.8	E734 I736 G777 S779 A816 F817 S818 D819 F842	E734-Y840 HydrophobicContact CG-CE2 4.43Å; E734-Y840 WeakPolarHBondContact OE1-CE2 3.32Å; E734-Y840 PolarHBondContact OE1-OH 3.47Å; I736-Y840 HydrophobicContact CD1-CD1 4.26Å; I736-Y840 HydrophobicContact CD1-CG 4.38Å; I736-Y840 HydrophobicContact CG2-CD2 3.89Å; I736-Y840 HydrophobicContact CG2-CE2 3.74Å; I736-Y840 HydrophobicContact CG2-CG 4.43Å; G777-Y840 VanDerWaalsContact C-OH 3.3Å; G777-Y840 WeakPolarHBondContact CA-OH 3.38Å; S779-Y840 VanDerWaalsContact CA-OH 3.26Å; S779-Y840 WeakPolarHBondContact CA-OH 3.28Å; S779-Y840 WeakPolarHBondContact CB-OH 3.43Å; S779-Y840 PolarHBondContact N-OH 3.29Å; A816-Y840 HydrophobicContact CB-CD1 3.71Å; A816-Y840 HydrophobicContact CB-CE1 4.49Å; A816-Y840 HydrophobicContact CB-CG 4.45Å; F817-Y840 PolarHBondContact O-N 3.13Å; S818-Y840 WeakPolarHBondContact CA-O 3.42Å; D819-Y840 PolarHBondContact N-O 3.15Å; Y840-F842 PolarHBondContact O-N 3.44Å; Y840-F842 VanDerWaalsContact O-N 3.15Å
841	N	81	Confident	69.5	Low	71 Å²	71	78 Å²	78	38%	0.38	45%	0.453	S	S	.	.	S	Bend	trans	54.2	33.8	175.7	-156.9	80.9	0	0	0	115.1
842	F	70.3	Confident	68.1	Low	59 Å²	59	80.8 Å²	80.8	26%	0.259	47%	0.473	S	S	.	.			trans	-100.1	-2.9	176.1	57.9	-91.8	0	0	0	113.3	Y740 C767 V839 Y840	Y740-F842 HydrophobicContact CD1-CZ 4.45Å; Y740-F842 AromaticContact CD2-CE1 3.57Å; Y740-F842 HydrophobicContact CD2-CE1 3.57Å; Y740-F842 AromaticContact CD2-CZ 3.63Å; Y740-F842 HydrophobicContact CD2-CZ 3.63Å; Y740-F842 HydrophobicContact CE2-CE1 4.41Å; Y740-F842 HydrophobicContact CE2-CZ 4.31Å; Y740-F842 AromaticContact CG-CE1 3.95Å; Y740-F842 HydrophobicContact CG-CE1 3.95Å; Y740-F842 AromaticContact CG-CZ 3.69Å; Y740-F842 HydrophobicContact CG-CZ 3.69Å; C767-F842 HydrophobicContact CB-CE2 4.47Å; C767-F842 HydrophobicContact CB-CZ 4.27Å; C767-F842 WeakPolarHBondContact SG-CE2 3.25Å; C767-F842 VanDerWaalsContact SG-CZ 3.56Å; V839-F842 HydrophobicContact CB-CD1 4.16Å; V839-F842 HydrophobicContact CB-CE1 4.41Å; V839-F842 HydrophobicContact CG2-CD1 3.8Å; V839-F842 HydrophobicContact CG2-CE1 3.74Å; Y840-F842 PolarHBondContact O-N 3.44Å; Y840-F842 VanDerWaalsContact O-N 3.15Å
843	L	59.4	Low	66.6	Low	114 Å²	114	84.6 Å²	84.6	60%	0.597	49%	0.494	S	S	*	.			trans	-110	62.8	179.3	-63	-179	0	0	0	112.4	G845	L843-G845 PolarHBondContact O-N 2.57Å
844	N	41.8	Very low	65.2	Low	139 Å²	139	85.9 Å²	85.9	74%	0.743	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	74.7	167.8	-74.3	-5.5	0	0	0	110.2
845	G	36.8	Very low	63.6	Low	70 Å²	70	86.9 Å²	86.9	72%	0.722	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	177.5	-20	174.4	0	0	0	0	0	121	L843	L843-G845 PolarHBondContact O-N 2.57Å
846	Q	31.4	Very low	62.2	Low	173 Å²	173	92.9 Å²	92.9	81%	0.808	52%	0.519	S	S	*	.	S	Bend	trans	-122	19.9	-168.1	-71.2	-146.5	-34.6	0	0	117.4
847	H	33	Very low	60.2	Low	173 Å²	173	92.8 Å²	92.8	80%	0.801	53%	0.525	S	S	*	.			trans	-118.7	53.6	168.6	-75.2	-56.6	0	0	0	113.1
848	H	30.4	Very low	57.5	Low	198 Å²	198	100 Å²	100	92%	0.917	57%	0.567	S	S	*	*			trans	-116.8	111.8	147	-81.7	-70.2	0	0	0	107.9
849	A	28.9	Very low	54.2	Low	175 Å²	175	108.7 Å²	108.7	100%	1.446	62%	0.617	S	S	*	*			trans	-126.5	0	170.6	0	0	0	0	0	107.7

Retrieved 849 of 849 residues in 650.2 ms (Link to these results)

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