A0A077Z5W8_TRITR Loading...

Copine family protein

AlphaFold DB , UniProt , Accession A0A077Z5W8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,011 aa.

						>A0A077Z5W8_TRITR|A0A077Z5W8
MNVASLELKANASTSVGTSSAVPTIGTASHHAFLSLLEPGLIDNESGKPFDYVSQEWPTAQTGSKTNQIDQSSTERLMSLPFSFDEQMDSPKVRSVWPSELGLYGAAAYINELKGIVAEQKNLEAEGRSTGNSLSVGSSRDEEKVNQASPLDTTELSRSKTMTKEAHINQSPTVGGEQTIYDDMRNKNDKILDKDSLHTICGGVSIVSVDQRGEKVASSPSTENQDTFTPGNMNMTRSVEVNNWSHGHSMGPDDFNVVTSIDTGVAEAKALQKVDFSEKGAIAAAKVKSVSTATASGISDAEKEMRLCMKKPEPVQLDFVDGTSAGEQADNEVSVFVTAGYANEQGSAAAFPLLGEDKLAQKQMDASISEQSGIPENQRIDLRSSATGASAQTEKWVPQDFSKHPISSFGYTTTSEMYTVGDVETFVTHDFVYKQPDEQSSVLRYTDDCLVDKSAFKTLALQTQSATFEIEKNKNVPTAGGSEVVDVNVPDKLVESTSVTTGLPTTELMVEDHEDTEMSDVAFPQKDGRAPSFLTSNNESDIGGEQVMRKSKRAKRNRRGNKTKLDGVSSQNMEPIVEAAPNSSTLLKDDEPKGQWVKESTTAVSHVTLVRSEAVQSVETNLSDWPEAPSISSSFSSSISGFNVQEGIPSRVETSSSTSSEGVASSPYRARADQLPTDGSSQFFRDSLRTDEKEKESSDTTTKDEDIETTRRSSQVGASIRGRGVLMRKSMSVDVGSRGSRSRRPILIRSSILEMLGAEDVHHAVSQLATLDEVSNVMRKAGLESSNLIFGIDYTASNKYQGERTFGGRSLHAILPDISNPYQQVIQILGKTLQPFSSSGFIAAYGFGDVKTSDLSVFPLKKIGRCRNFEEVLDVYNKVTPGVILSGPTNFAPLIYESINICKEECSVRTDYHILVIVADGQVTNERETREAIMTACKYPLSIIVVGVGDGPWEMMRVFDESLPRREWDNFHFVDFHGVVSGADKPESAFALESLLEIPDQYTRIKALKLL
					

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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	34.5	Very low	32.4	Very low	236 Å²	236	144.1 Å²	144.1	100%	1.163	81%	0.81	S	S	*	*				0	128.6	0	-59.6	172.9	-177.5	0	0	107.2
2	N	29.2	Very low	32.6	Very low	143 Å²	143	140.8 Å²	140.8	77%	0.765	81%	0.814	S	S	*	*			cis	-174	128	-24.6	-104.4	17	0	0	0	102.5
3	V	30.2	Very low	32.6	Very low	126 Å²	126	138.4 Å²	138.4	76%	0.764	81%	0.811	S	S	*	*			trans	60.2	105.8	132.4	178.1	0	0	0	0	116
4	A	31.6	Very low	32.7	Very low	85 Å²	85	138.4 Å²	138.4	70%	0.702	81%	0.814	S	S	*	*				61.1	147.4	73.3	0	0	0	0	0	112.8
5	S	32.8	Very low	32.6	Very low	109 Å²	109	136.1 Å²	136.1	76%	0.762	81%	0.808	S	S	*	*			cis	-165.4	173.5	-5.6	-106.1	0	0	0	0	107.2
6	L	33.5	Very low	32.8	Very low	174 Å²	174	136.8 Å²	136.8	91%	0.911	81%	0.813	S	S	*	*			trans	-179.4	125	137.6	-100.5	158.3	0	0	0	112.5
7	E	31.6	Very low	32.7	Very low	139 Å²	139	132.5 Å²	132.5	65%	0.65	80%	0.804	S	S	*	*			trans	-80.7	168.5	159.3	-66.7	-171.3	112.6	0	0	110.9	K9	E7-K9 IonicContact OE1-NZ 2.66Å; E7-K9 PolarHBondContact OE1-NZ 3.07Å; E7-K9 IonicContact OE2-NZ 2.67Å; E7-K9 PolarHBondContact OE2-NZ 3.11Å
8	L	32.6	Very low	32.9	Very low	175 Å²	175	132.8 Å²	132.8	92%	0.916	81%	0.807	S	S	*	*			trans	-146.2	134.3	138.4	-112.7	168.2	0	0	0	111.3
9	K	31.5	Very low	32.8	Very low	143 Å²	143	131.8 Å²	131.8	62%	0.622	81%	0.806	S	S	*	*			trans	-104	159.2	-178	-68.5	175.8	165.2	67.6	0	111.7	E7	E7-K9 IonicContact OE1-NZ 2.66Å; E7-K9 PolarHBondContact OE1-NZ 3.07Å; E7-K9 IonicContact OE2-NZ 2.67Å; E7-K9 PolarHBondContact OE2-NZ 3.11Å
10	A	35.6	Very low	32.6	Very low	101 Å²	101	130.8 Å²	130.8	84%	0.835	81%	0.805	S	S	*	*			trans	-147.5	149.5	157.1	0	0	0	0	0	110.9
11	N	33.2	Very low	32.6	Very low	154 Å²	154	128.9 Å²	128.9	82%	0.824	80%	0.802	S	S	*	*			trans	-118.4	161.7	-173.3	-50.5	-45	0	0	0	111.3
12	A	35	Very low	32.7	Very low	104 Å²	104	123.9 Å²	123.9	86%	0.86	79%	0.785	S	S	*	*				-178.4	140.2	125.1	0	0	0	0	0	114
13	S	32.7	Very low	32.9	Very low	110 Å²	110	122.8 Å²	122.8	77%	0.769	79%	0.785	S	S	*	*			trans	-85.8	166.9	175.7	50.8	0	0	0	0	114.4
14	T	33.4	Very low	32.9	Very low	139 Å²	139	122.9 Å²	122.9	85%	0.853	79%	0.786	S	S	*	*				-176.8	169.2	120.9	-68.9	0	0	0	0	110.1
15	S	32.5	Very low	32.9	Very low	104 Å²	104	127 Å²	127	73%	0.727	80%	0.795	S	S	*	*			trans	-134.5	-173.4	-156.2	56.5	0	0	0	0	115.9
16	V	35.7	Very low	32.7	Very low	147 Å²	147	125.2 Å²	125.2	89%	0.891	79%	0.793	S	S	*	*			trans	99.3	129.5	163.4	-173.8	0	0	0	0	118
17	G	31	Very low	32.4	Very low	64 Å²	64	123.8 Å²	123.8	66%	0.66	79%	0.792	S	S	*	*			trans	159.1	76.3	157.9	0	0	0	0	0	121.6
18	T	35.3	Very low	32.4	Very low	138 Å²	138	122.1 Å²	122.1	85%	0.847	80%	0.802	S	S	*	*			trans	49.1	106.6	142	56.7	0	0	0	0	124.4
19	S	31.3	Very low	32.2	Very low	114 Å²	114	118.9 Å²	118.9	80%	0.797	79%	0.794	S	S	*	*				70.3	115.3	106.5	-171.1	0	0	0	0	124.6
20	S	29.8	Very low	32.4	Very low	111 Å²	111	121.1 Å²	121.1	78%	0.776	81%	0.806	S	S	*	*			trans	68.1	117.9	133.3	179.2	0	0	0	0	122.5
21	A	32.7	Very low	32.1	Very low	91 Å²	91	124.1 Å²	124.1	75%	0.752	80%	0.803	S	S	*	*				-179.5	151.5	104.3	0	0	0	0	0	113.2
22	V	35	Very low	31.9	Very low	131 Å²	131	120.7 Å²	120.7	79%	0.794	80%	0.795	S	S	*	*			trans	-129.6	143	169.5	174.3	0	0	0	0	109
23	P	33.7	Very low	31.6	Very low	119 Å²	119	124.1 Å²	124.1	77%	0.773	79%	0.791	S	S	*	*			trans	-126.7	127.8	157.4	34.9	-21.7	0	0	0	113.3
24	T	29.8	Very low	31.4	Very low	128 Å²	128	125 Å²	125	79%	0.785	79%	0.787	S	S	*	*			trans	-110.6	116.9	165	-56.2	0	0	0	0	108.8
25	I	32.3	Very low	31	Very low	173 Å²	173	122.9 Å²	122.9	89%	0.887	78%	0.777	S	S	*	*			trans	-166.8	144.3	172.6	-89.5	130.6	0	0	0	105.6
26	G	29.7	Very low	30.9	Very low	71 Å²	71	125.2 Å²	125.2	73%	0.732	78%	0.781	S	S	*	*			cis	-177.9	169.7	-2.9	0	0	0	0	0	111.6
27	T	26.8	Very low	30.4	Very low	144 Å²	144	126.7 Å²	126.7	88%	0.883	78%	0.783	S	S	*	*			trans	-75.5	146.4	-170.9	52.1	0	0	0	0	115.5
28	A	31.4	Very low	30.5	Very low	104 Å²	104	132 Å²	132	86%	0.86	79%	0.79	S	S	*	*			trans	-151.2	126.5	150.6	0	0	0	0	0	111.7
29	S	28.1	Very low	30.5	Very low	106 Å²	106	131.4 Å²	131.4	74%	0.741	79%	0.789	S	S	*	*			trans	-82.3	160.3	-176.3	-40.6	0	0	0	0	113.4
30	H	34.6	Very low	30.2	Very low	191 Å²	191	129.1 Å²	129.1	88%	0.884	78%	0.784	S	S	*	*				-179.7	141	129.1	-107.5	-135.6	0	0	0	109.6
31	H	30.5	Very low	30.2	Very low	164 Å²	164	131.4 Å²	131.4	76%	0.759	79%	0.786	S	S	*	*			cis	165.2	139.9	-30.1	-178	-75.7	0	0	0	104.6
32	A	29.2	Very low	29.9	Very low	81 Å²	81	133.9 Å²	133.9	67%	0.669	79%	0.785	S	S	*	*			trans	69.7	150.7	176.2	0	0	0	0	0	117
33	F	27.3	Very low	29.7	Very low	177 Å²	177	134.4 Å²	134.4	78%	0.776	78%	0.784	S	S	*	*			cis	-151.4	146.3	1.5	-139.6	-140.5	0	0	0	112.7
34	L	28.7	Very low	29.5	Very low	129 Å²	129	135.2 Å²	135.2	68%	0.675	78%	0.781	S	S	*	*			trans	14.6	156.4	145.5	-50.3	-173.3	0	0	0	122
35	S	26.8	Very low	29.6	Very low	93 Å²	93	137.8 Å²	137.8	65%	0.65	79%	0.785	S	S	*	*			cis	178.4	-176	-17.4	-89.3	0	0	0	0	108.4
36	L	29.3	Very low	29.8	Very low	154 Å²	154	136 Å²	136	81%	0.806	79%	0.787	S	S	*	*			trans	79.5	96.5	160.6	-54.7	176.2	0	0	0	117.4
37	L	26.1	Very low	29.8	Very low	178 Å²	178	135.8 Å²	135.8	93%	0.932	79%	0.786	S	S	*	*			trans	-94.2	120	139.1	-87.3	161.2	0	0	0	107.5
38	E	31.6	Very low	29.9	Very low	175 Å²	175	138.6 Å²	138.6	82%	0.818	79%	0.786	S	S	*	*			trans	-143	159.6	162.1	-86.3	-160.1	149.1	0	0	110
39	P	36.8	Very low	29.6	Very low	125 Å²	125	138.7 Å²	138.7	81%	0.812	78%	0.777	S	S	*	*			trans	-118	158.1	-155.3	40.2	-30	0	0	0	116.5
40	G	25.1	Very low	29.7	Very low	67 Å²	67	143.6 Å²	143.6	69%	0.691	79%	0.786	S	S	*	*			trans	106.8	167.5	151.1	0	0	0	0	0	118
41	L	28.5	Very low	29.3	Very low	159 Å²	159	140.7 Å²	140.7	83%	0.832	78%	0.777	S	S	*	*			trans	61.6	112.1	-177.4	-61.4	104.1	0	0	0	114.8
42	I	26.8	Very low	29.3	Very low	142 Å²	142	143 Å²	143	73%	0.728	78%	0.78	S	S	*	*				60.4	95.5	65.6	-52.9	170.3	0	0	0	112.8
43	D	30.4	Very low	29.3	Very low	143 Å²	143	144.1 Å²	144.1	77%	0.765	78%	0.779	S	S	*	*				-173	120.9	129.9	-94.9	-27.1	0	0	0	106.6
44	N	30.5	Very low	29.1	Very low	135 Å²	135	141.1 Å²	141.1	72%	0.722	78%	0.779	S	S	*	*				96.4	139.8	63.2	-89.4	-43.4	0	0	0	113.7
45	E	31.2	Very low	29.1	Very low	183 Å²	183	144.1 Å²	144.1	86%	0.855	79%	0.79	S	S	*	*			trans	56.8	85.7	166.5	-57.9	-163	146.6	0	0	120.6
46	S	36	Very low	29	Very low	134 Å²	134	147.1 Å²	147.1	94%	0.937	79%	0.794	S	S	*	*				178.4	147.8	112.9	44.8	0	0	0	0	112.3
47	G	29.3	Very low	29	Very low	68 Å²	68	150.3 Å²	150.3	70%	0.701	80%	0.795	S	S	*	*			cis	158.7	54.6	-4.3	0	0	0	0	0	115.2
48	K	29.8	Very low	29.1	Very low	203 Å²	203	147.3 Å²	147.3	88%	0.883	79%	0.786	S	S	*	*			trans	-170.9	133.6	164.2	-102.6	141.8	-172.4	175	0	112
49	P	26.3	Very low	28.9	Very low	106 Å²	106	143.1 Å²	143.1	69%	0.688	77%	0.773	S	S	*	*			trans	-83.4	168.8	164.4	36.2	-34.2	0	0	0	111.2
50	F	29.6	Very low	28.7	Very low	208 Å²	208	141.8 Å²	141.8	91%	0.912	77%	0.773	S	S	*	*			trans	-129.9	90	166.6	-131.5	-75.9	0	0	0	109.9
51	D	26.4	Very low	28.9	Very low	131 Å²	131	143.5 Å²	143.5	70%	0.701	76%	0.763	S	S	*	*			trans	-82.4	128.9	170.7	-74.1	-62.2	0	0	0	110.6
52	Y	30	Very low	29	Very low	211 Å²	211	141.9 Å²	141.9	83%	0.827	76%	0.76	S	S	*	*			trans	-152.7	88.9	150.2	-135.2	-94.3	0	0	0	108.7
53	V	29.4	Very low	29.1	Very low	105 Å²	105	138.4 Å²	138.4	64%	0.636	76%	0.758	S	S	*	*				68.7	109.7	87.1	174.6	0	0	0	0	112.1
54	S	22.6	Very low	29	Very low	114 Å²	114	137.2 Å²	137.2	80%	0.797	76%	0.762	S	S	*	*			trans	-72.8	144.7	177.8	-44.8	0	0	0	0	112.8
55	Q	29.5	Very low	29	Very low	193 Å²	193	140.3 Å²	140.3	90%	0.902	77%	0.768	S	S	*	*			trans	-134.3	141	155.2	-76.7	-170	-30.9	0	0	109.9
56	E	24.2	Very low	28.8	Very low	155 Å²	155	137.3 Å²	137.3	72%	0.724	76%	0.763	S	S	*	*			trans	-106.9	-175.2	-175.4	-69.8	178.2	138.8	0	0	111.5
57	W	27.8	Very low	28.4	Very low	221 Å²	221	138.2 Å²	138.2	84%	0.837	76%	0.757	S	S	*	*			trans	81.9	149.1	162.4	-54.5	85.2	0	0	0	117.6
58	P	30.2	Very low	28.4	Very low	115 Å²	115	143.1 Å²	143.1	75%	0.747	76%	0.762	S	S	*	*			cis	-126.7	163.2	-16.9	35.4	-18.7	0	0	0	114.9
59	T	26.4	Very low	28.4	Very low	87 Å²	87	141.1 Å²	141.1	53%	0.534	76%	0.759	S	S	.	*			trans	-79.8	144.6	-179.6	-36.8	0	0	0	0	113.2	Q462	T59-Q462 VanDerWaalsContact CG2-OE1 3.29Å; T59-Q462 VanDerWaalsContact OG1-CD 3.23Å; T59-Q462 PolarHBondContact OG1-NE2 3.46Å; T59-Q462 PolarHBondContact OG1-OE1 3.34Å
60	A	31.7	Very low	28.6	Very low	98 Å²	98	140.3 Å²	140.3	81%	0.81	75%	0.749	S	S	*	*			trans	-128.1	147.7	162.8	0	0	0	0	0	110
61	Q	29.4	Very low	28.8	Very low	103 Å²	103	138.3 Å²	138.3	48%	0.481	74%	0.743	S	S	.	*			trans	-102.2	152.2	-161.9	-60.1	173.4	-70.9	0	0	114.2	Q464 S465	Q61-Q464 PolarHBondContact NE2-O 2.77Å; Q61-S465 PolarHBondContact NE2-O 3.38Å
62	T	30.8	Very low	29.3	Very low	125 Å²	125	134.4 Å²	134.4	77%	0.767	73%	0.726	S	S	*	*			trans	60.8	149.4	151	51.1	0	0	0	0	119.1
63	G	28.4	Very low	29.5	Very low	68 Å²	68	127.1 Å²	127.1	70%	0.701	71%	0.706	S	S	*	*			cis	173.7	154.9	-4.4	0	0	0	0	0	112.1
64	S	28.8	Very low	30.1	Very low	119 Å²	119	125.9 Å²	125.9	83%	0.832	70%	0.699	S	S	*	*			trans	7.2	114.8	174	-167.1	0	0	0	0	119.3
65	K	30.2	Very low	30.9	Very low	199 Å²	199	126.4 Å²	126.4	87%	0.865	69%	0.688	S	S	*	*				-156.7	143.8	128.8	-111.4	157.6	-171.2	173.7	0	112.1
66	T	27.1	Very low	31.4	Very low	121 Å²	121	126.1 Å²	126.1	74%	0.742	68%	0.679	S	S	*	*			trans	-49.9	142	168.3	49	0	0	0	0	112.2
67	N	28.7	Very low	32.1	Very low	153 Å²	153	124.4 Å²	124.4	82%	0.818	67%	0.674	S	S	*	*			trans	-164.7	165.8	141.5	-103.6	-18.6	0	0	0	112.9
68	Q	29.7	Very low	32.8	Very low	171 Å²	171	119.4 Å²	119.4	80%	0.799	66%	0.662	S	S	*	*			trans	-53.5	154.6	176.1	-63.8	149.2	-22.4	0	0	112.3	D70	Q68-D70 PolarHBondContact O-N 3.09Å
69	I	28.5	Very low	33.5	Very low	160 Å²	160	118.1 Å²	118.1	82%	0.821	66%	0.655	S	S	*	*			trans	-71.7	85.4	165.9	-57.3	178.8	0	0	0	108
70	D	30.3	Very low	34.3	Very low	90 Å²	90	118 Å²	118	48%	0.481	65%	0.651	S	S	.	*			trans	-70.7	148.7	171.2	173.3	50.9	0	0	0	111.2	Q68 S72 S73	Q68-D70 PolarHBondContact O-N 3.09Å; D70-S72 PolarHBondContact O-N 3.47Å; D70-S72 VanDerWaalsContact O-N 3.08Å; D70-S72 WeakPolarHBondContact OD2-CB 3.41Å; D70-S72 PolarHBondContact OD2-N 2.65Å; D70-S72 PolarHBondContact OD2-OG 3.37Å; D70-S73 WeakPolarHBondContact O-CB 3.1Å; D70-S73 PolarHBondContact O-N 3.13Å; D70-S73 PolarHBondContact O-OG 3.3Å
71	Q	35	Very low	35.2	Very low	165 Å²	165	119 Å²	119	77%	0.771	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-23.2	-174.3	-65.1	-179	-13.2	0	0	112.9	S73 T74	Q71-S73 PolarHBondContact O-N 2.94Å; Q71-T74 PolarHBondContact O-N 3.24Å
72	S	36.4	Very low	36.2	Very low	50 Å²	50	119.6 Å²	119.6	35%	0.35	65%	0.65	S	S	.	*	H	α-helix	trans	-63.5	-17.9	174	67.6	0	0	0	0	114.6	D70 R76	D70-S72 PolarHBondContact O-N 3.47Å; D70-S72 VanDerWaalsContact O-N 3.08Å; D70-S72 WeakPolarHBondContact OD2-CB 3.41Å; D70-S72 PolarHBondContact OD2-N 2.65Å; D70-S72 PolarHBondContact OD2-OG 3.37Å; S72-R76 WeakPolarHBondContact O-CG 3.16Å; S72-R76 PolarHBondContact O-N 3.35Å
73	S	35.4	Very low	37.7	Very low	58 Å²	58	116.2 Å²	116.2	41%	0.406	63%	0.632	S	S	.	*	H	α-helix	trans	-71.5	-37.5	176.8	-57.7	0	0	0	0	112	D70 Q71 R76 L77	D70-S73 WeakPolarHBondContact O-CB 3.1Å; D70-S73 PolarHBondContact O-N 3.13Å; D70-S73 PolarHBondContact O-OG 3.3Å; Q71-S73 PolarHBondContact O-N 2.94Å; S73-R76 PolarHBondContact O-N 3.35Å; S73-L77 PolarHBondContact O-N 3.35Å
74	T	41.2	Very low	39.3	Very low	79 Å²	79	115.4 Å²	115.4	49%	0.485	61%	0.609	S	S	.	*	H	α-helix	trans	-67.7	-42.2	178.4	-40.4	0	0	0	0	111	Q71 R76 L77 M78	Q71-T74 PolarHBondContact O-N 3.24Å; T74-R76 VanDerWaalsContact C-N 3.26Å; T74-R76 PolarHBondContact O-N 2.9Å; T74-L77 PolarHBondContact O-N 3.25Å; T74-M78 VanDerWaalsContact O-CG 3.3Å; T74-M78 WeakPolarHBondContact O-CG 3.43Å; T74-M78 PolarHBondContact O-N 2.81Å
75	E	39.1	Very low	40.9	Very low	125 Å²	125	113.8 Å²	113.8	58%	0.584	59%	0.591	S	S	*	*	H	α-helix	trans	-64.2	-29.4	175.2	-64.5	-163.7	145	0	0	112.5	S79	E75-S79 WeakPolarHBondContact O-CB 3.07Å; E75-S79 PolarHBondContact O-N 3.14Å
76	R	40.3	Very low	42.5	Very low	186 Å²	186	109.6 Å²	109.6	70%	0.702	57%	0.574	S	S	*	*	H	α-helix	trans	-70.6	-40.9	173.7	-76.9	-178.8	-179.6	-177.9	3	113.2	S72 S73 T74 M78 S79	S72-R76 WeakPolarHBondContact O-CG 3.16Å; S72-R76 PolarHBondContact O-N 3.35Å; S73-R76 PolarHBondContact O-N 3.35Å; T74-R76 VanDerWaalsContact C-N 3.26Å; T74-R76 PolarHBondContact O-N 2.9Å; R76-M78 VanDerWaalsContact C-N 3.33Å; R76-S79 WeakPolarHBondContact O-CB 3.49Å; R76-S79 PolarHBondContact O-N 3.07Å; R76-S79 VanDerWaalsContact O-N 3.09Å; R76-S79 PolarHBondContact O-OG 3.05Å
77	L	38.2	Very low	44.1	Very low	120 Å²	120	107.4 Å²	107.4	63%	0.628	56%	0.556	S	S	*	*	H	α-helix	trans	-65.1	-38.5	173.9	-72.3	171.9	0	0	0	111.7	S73 T74 S79 L80	S73-L77 PolarHBondContact O-N 3.35Å; T74-L77 PolarHBondContact O-N 3.25Å; L77-S79 PolarHBondContact O-N 3.02Å; L77-L80 HydrophobicContact CD2-CD1 4.27Å; L77-L80 PolarHBondContact O-N 3.3Å
78	M	42.7	Very low	45.7	Very low	116 Å²	116	101.7 Å²	101.7	57%	0.571	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.7	171.6	-67.9	-87.2	-148.8	0	0	114	T74 R76	T74-M78 VanDerWaalsContact O-CG 3.3Å; T74-M78 WeakPolarHBondContact O-CG 3.43Å; T74-M78 PolarHBondContact O-N 2.81Å; R76-M78 VanDerWaalsContact C-N 3.33Å
79	S	45.5	Very low	47.1	Very low	88 Å²	88	97.1 Å²	97.1	62%	0.615	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-3.1	-176.8	76.7	0	0	0	0	115.2	E75 R76 L77	E75-S79 WeakPolarHBondContact O-CB 3.07Å; E75-S79 PolarHBondContact O-N 3.14Å; R76-S79 WeakPolarHBondContact O-CB 3.49Å; R76-S79 PolarHBondContact O-N 3.07Å; R76-S79 VanDerWaalsContact O-N 3.09Å; R76-S79 PolarHBondContact O-OG 3.05Å; L77-S79 PolarHBondContact O-N 3.02Å
80	L	43.8	Very low	48.8	Very low	84 Å²	84	91.1 Å²	91.1	44%	0.44	48%	0.478	S	S	.	.			trans	-74	139.3	-179.7	-63.4	177.8	0	0	0	111.3	L77 F82	L77-L80 HydrophobicContact CD2-CD1 4.27Å; L77-L80 PolarHBondContact O-N 3.3Å; L80-F82 HydrophobicContact CB-CD2 4.27Å; L80-F82 PolarHBondContact O-N 3.16Å
81	P	48.9	Very low	50.2	Low	119 Å²	119	92.1 Å²	92.1	77%	0.773	49%	0.489	S	S	*	.	S	Bend	trans	-77.9	12.4	-172	33.9	-38.6	0	0	0	114.7
82	F	51.6	Low	51	Low	116 Å²	116	92.5 Å²	92.5	51%	0.509	49%	0.489	S	S	.	.	S	Bend	trans	-96.3	139.7	-175.8	-60.2	-67.9	0	0	0	111.4	L80 E86 Q87	L80-F82 HydrophobicContact CB-CD2 4.27Å; L80-F82 PolarHBondContact O-N 3.16Å; F82-E86 HydrophobicContact CB-CB 4.13Å; F82-Q87 HydrophobicContact CB-CG 4.11Å; F82-Q87 PolarHBondContact O-NE2 3.06Å; F82-Q87 VanDerWaalsContact O-NE2 3.08Å
83	S	62.9	Low	52	Low	53 Å²	53	92.3 Å²	92.3	37%	0.371	49%	0.485	S	S	.	.			trans	-60.8	159.1	170.9	65.1	0	0	0	0	112	D85 E86 Q87	S83-D85 PolarHBondContact O-N 2.71Å; S83-E86 VanDerWaalsContact CB-OE2 3.28Å; S83-E86 WeakPolarHBondContact CB-OE2 3.2Å; S83-E86 PolarHBondContact N-OE2 3.45Å; S83-E86 PolarHBondContact O-N 3.34Å; S83-E86 VanDerWaalsContact OG-CG 3.3Å; S83-E86 WeakPolarHBondContact OG-CG 3.48Å; S83-E86 PolarHBondContact OG-N 2.78Å; S83-E86 PolarHBondContact OG-OE2 2.91Å; S83-Q87 WeakPolarHBondContact O-CG 3.37Å; S83-Q87 PolarHBondContact O-N 3.06Å
84	F	61.2	Low	52.9	Low	52 Å²	52	95.6 Å²	95.6	23%	0.228	49%	0.489	C	S	.	.	H	α-helix	trans	-60.2	-34.7	176.7	-172.6	-98.2	0	0	0	112.1	Q87 M88 K114 V117	F84-Q87 PolarHBondContact O-N 3.18Å; F84-M88 HydrophobicContact CD1-CG 4.04Å; F84-M88 HydrophobicContact CE1-CE 3.96Å; F84-M88 HydrophobicContact CE1-CG 3.63Å; F84-M88 HydrophobicContact CE2-CE 3.91Å; F84-M88 HydrophobicContact CE2-CG 4.47Å; F84-M88 HydrophobicContact CZ-CE 3.33Å; F84-M88 HydrophobicContact CZ-CG 3.92Å; F84-M88 HydrophobicContact CZ-SD 4.48Å; F84-M88 WeakPolarHBondContact O-CB 3.35Å; F84-M88 PolarHBondContact O-N 3.25Å; F84-K114 HydrophobicContact CD1-CG 3.77Å; F84-K114 HydrophobicContact CE1-CB 4.4Å; F84-K114 HydrophobicContact CE1-CG 3.5Å; F84-K114 VanDerWaalsContact CE1-CG 3.5Å; F84-V117 HydrophobicContact CD2-CG1 4.36Å; F84-V117 HydrophobicContact CE2-CB 4.08Å; F84-V117 HydrophobicContact CE2-CG1 3.86Å; F84-V117 HydrophobicContact CE2-CG2 3.81Å; F84-V117 HydrophobicContact CZ-CB 4.14Å; F84-V117 HydrophobicContact CZ-CG1 4.41Å; F84-V117 HydrophobicContact CZ-CG2 3.85Å
85	D	61.3	Low	53.7	Low	85 Å²	85	96.3 Å²	96.3	46%	0.455	50%	0.497	S	S	.	.	H	α-helix	trans	-63.3	-45.8	174.3	-62.9	-82.3	0	0	0	112	S83 Q87 M88 D89 K114	S83-D85 PolarHBondContact O-N 2.71Å; D85-Q87 VanDerWaalsContact C-N 3.3Å; D85-Q87 PolarHBondContact O-N 3.3Å; D85-M88 PolarHBondContact O-N 2.96Å; D85-D89 VanDerWaalsContact O-CB 3.3Å; D85-D89 WeakPolarHBondContact O-CB 3.44Å; D85-D89 PolarHBondContact O-N 3.01Å; D85-K114 WeakPolarHBondContact OD1-CE 3.41Å; D85-K114 IonicContact OD1-NZ 3.37Å; D85-K114 PolarHBondContact OD1-NZ 2.88Å
86	E	64.5	Low	54.4	Low	110 Å²	110	95.7 Å²	95.7	51%	0.514	50%	0.501	S	S	.	.	H	α-helix	trans	-65.6	-30.3	175.5	-72	163.2	118.2	0	0	113.2	F82 S83 S90	F82-E86 HydrophobicContact CB-CB 4.13Å; S83-E86 VanDerWaalsContact CB-OE2 3.28Å; S83-E86 WeakPolarHBondContact CB-OE2 3.2Å; S83-E86 PolarHBondContact N-OE2 3.45Å; S83-E86 PolarHBondContact O-N 3.34Å; S83-E86 VanDerWaalsContact OG-CG 3.3Å; S83-E86 WeakPolarHBondContact OG-CG 3.48Å; S83-E86 PolarHBondContact OG-N 2.78Å; S83-E86 PolarHBondContact OG-OE2 2.91Å; E86-S90 PolarHBondContact O-N 3.2Å
87	Q	61.6	Low	55.6	Low	75 Å²	75	89.4 Å²	89.4	35%	0.35	48%	0.478	S	S	.	.	H	α-helix	trans	-72	-47.4	174.7	-66.8	-179.5	28	0	0	111.2	F82 S83 F84 D85 S90 V93	F82-Q87 HydrophobicContact CB-CG 4.11Å; F82-Q87 PolarHBondContact O-NE2 3.06Å; F82-Q87 VanDerWaalsContact O-NE2 3.08Å; S83-Q87 WeakPolarHBondContact O-CG 3.37Å; S83-Q87 PolarHBondContact O-N 3.06Å; F84-Q87 PolarHBondContact O-N 3.18Å; D85-Q87 VanDerWaalsContact C-N 3.3Å; D85-Q87 PolarHBondContact O-N 3.3Å; Q87-S90 VanDerWaalsContact O-CB 3.29Å; Q87-S90 WeakPolarHBondContact O-CB 3.44Å; Q87-S90 PolarHBondContact O-N 2.94Å; Q87-S90 PolarHBondContact O-OG 3.3Å; Q87-V93 WeakPolarHBondContact O-CG2 3.48Å
88	M	61.4	Low	56.6	Low	33 Å²	33	85.3 Å²	85.3	16%	0.163	46%	0.458	C	S	.	.	H	α-helix	trans	-69.5	-33.1	179.9	-77.8	-64.6	-179.6	0	0	113.5	F84 D85 S90 V93 L113	F84-M88 HydrophobicContact CD1-CG 4.04Å; F84-M88 HydrophobicContact CE1-CE 3.96Å; F84-M88 HydrophobicContact CE1-CG 3.63Å; F84-M88 HydrophobicContact CE2-CE 3.91Å; F84-M88 HydrophobicContact CE2-CG 4.47Å; F84-M88 HydrophobicContact CZ-CE 3.33Å; F84-M88 HydrophobicContact CZ-CG 3.92Å; F84-M88 HydrophobicContact CZ-SD 4.48Å; F84-M88 WeakPolarHBondContact O-CB 3.35Å; F84-M88 PolarHBondContact O-N 3.25Å; D85-M88 PolarHBondContact O-N 2.96Å; M88-S90 PolarHBondContact O-N 3.27Å; M88-V93 WeakPolarHBondContact O-CB 3.46Å; M88-V93 VanDerWaalsContact O-CG1 3.28Å; M88-V93 WeakPolarHBondContact O-CG1 3.38Å; M88-V93 HydrophobicContact SD-CG1 3.91Å; M88-L113 HydrophobicContact CE-CB 4.07Å; M88-L113 HydrophobicContact CE-CD1 3.87Å; M88-L113 HydrophobicContact SD-CD1 4.1Å
89	D	59.9	Low	57.3	Low	75 Å²	75	85.5 Å²	85.5	40%	0.401	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	2.8	178.2	-150.2	41.2	0	0	0	113.4	D85 R94	D85-D89 VanDerWaalsContact O-CB 3.3Å; D85-D89 WeakPolarHBondContact O-CB 3.44Å; D85-D89 PolarHBondContact O-N 3.01Å; D89-R94 IonicContact OD1-CZ 3.04Å; D89-R94 IonicContact OD1-NE 3.59Å; D89-R94 PolarHBondContact OD1-NE 3.34Å; D89-R94 IonicContact OD1-NH2 3.84Å; D89-R94 PolarHBondContact OD1-NH2 2.62Å; D89-R94 IonicContact OD2-CZ 3.67Å; D89-R94 IonicContact OD2-NE 3.47Å; D89-R94 IonicContact OD2-NH2 2.72Å; D89-R94 PolarHBondContact OD2-NH2 2.86Å
90	S	63.8	Low	57.8	Low	35 Å²	35	86.5 Å²	86.5	25%	0.245	47%	0.466	C	S	.	.	S	Bend	trans	-65	146	178.2	73.9	0	0	0	0	111.8	E86 Q87 M88 K92 V93 R94	E86-S90 PolarHBondContact O-N 3.2Å; Q87-S90 VanDerWaalsContact O-CB 3.29Å; Q87-S90 WeakPolarHBondContact O-CB 3.44Å; Q87-S90 PolarHBondContact O-N 2.94Å; Q87-S90 PolarHBondContact O-OG 3.3Å; M88-S90 PolarHBondContact O-N 3.27Å; S90-K92 PolarHBondContact O-N 3.29Å; S90-V93 PolarHBondContact O-N 2.83Å; S90-R94 PolarHBondContact O-N 3.49Å
91	P	59.5	Low	58.5	Low	110 Å²	110	84.7 Å²	84.7	71%	0.714	46%	0.456	S	S	*	.	H	α-helix	trans	-56.3	-27.7	-179.6	-28.4	35.7	0	0	0	114.4	S95	P91-S95 WeakPolarHBondContact O-CB 3.35Å; P91-S95 PolarHBondContact O-N 3.02Å; P91-S95 VanDerWaalsContact O-N 3.07Å; P91-S95 PolarHBondContact O-OG 3.23Å
92	K	52.5	Low	58.7	Low	174 Å²	174	81.2 Å²	81.2	76%	0.757	44%	0.442	S	S	*	.	H	α-helix	trans	-72.3	-25.9	176.6	-75	-170.3	173.9	-172	0	114.3	S90 S95 V96	S90-K92 PolarHBondContact O-N 3.29Å; K92-S95 PolarHBondContact O-OG 2.83Å; K92-S95 VanDerWaalsContact O-OG 3.06Å; K92-V96 VanDerWaalsContact O-CG2 3.24Å; K92-V96 WeakPolarHBondContact O-CG2 3.41Å
93	V	56.6	Low	58.7	Low	46 Å²	46	83.6 Å²	83.6	28%	0.279	46%	0.459	S	S	.	.	H	α-helix	trans	-89.9	-42.2	176.6	173.9	0	0	0	0	109.7	Q87 M88 S90 S95 V96 W97	Q87-V93 WeakPolarHBondContact O-CG2 3.48Å; M88-V93 WeakPolarHBondContact O-CB 3.46Å; M88-V93 VanDerWaalsContact O-CG1 3.28Å; M88-V93 WeakPolarHBondContact O-CG1 3.38Å; M88-V93 HydrophobicContact SD-CG1 3.91Å; S90-V93 PolarHBondContact O-N 2.83Å; V93-S95 PolarHBondContact O-N 2.89Å; V93-V96 PolarHBondContact O-N 3.47Å; V93-W97 VanDerWaalsContact O-CD1 3.31Å
94	R	55.3	Low	58	Low	127 Å²	127	91.4 Å²	91.4	48%	0.479	48%	0.482	S	S	.	.	H	α-helix	trans	-56.6	-32.7	171.5	-71.8	-172.9	173.1	-164.2	6.9	113.2	D89 S90 V96 W97	D89-R94 IonicContact OD1-CZ 3.04Å; D89-R94 IonicContact OD1-NE 3.59Å; D89-R94 PolarHBondContact OD1-NE 3.34Å; D89-R94 IonicContact OD1-NH2 3.84Å; D89-R94 PolarHBondContact OD1-NH2 2.62Å; D89-R94 IonicContact OD2-CZ 3.67Å; D89-R94 IonicContact OD2-NE 3.47Å; D89-R94 IonicContact OD2-NH2 2.72Å; D89-R94 PolarHBondContact OD2-NH2 2.86Å; S90-R94 PolarHBondContact O-N 3.49Å; R94-V96 PolarHBondContact O-N 3.19Å; R94-W97 HydrophobicContact CG-CD2 4.47Å; R94-W97 HydrophobicContact CG-CE3 4.32Å; R94-W97 HydrophobicContact CG-CH2 3.71Å; R94-W97 HydrophobicContact CG-CZ2 3.87Å; R94-W97 HydrophobicContact CG-CZ3 3.95Å; R94-W97 PolarHBondContact O-N 3.38Å
95	S	57.8	Low	58.2	Low	94 Å²	94	90.4 Å²	90.4	66%	0.657	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	0.9	176.2	62.4	0	0	0	0	115.1	P91 K92 V93	P91-S95 WeakPolarHBondContact O-CB 3.35Å; P91-S95 PolarHBondContact O-N 3.02Å; P91-S95 VanDerWaalsContact O-N 3.07Å; P91-S95 PolarHBondContact O-OG 3.23Å; K92-S95 PolarHBondContact O-OG 2.83Å; K92-S95 VanDerWaalsContact O-OG 3.06Å; V93-S95 PolarHBondContact O-N 2.89Å
96	V	53.3	Low	58.3	Low	112 Å²	112	86.7 Å²	86.7	68%	0.679	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	5.2	175.7	-143	0	0	0	0	112	K92 V93 R94	K92-V96 VanDerWaalsContact O-CG2 3.24Å; K92-V96 WeakPolarHBondContact O-CG2 3.41Å; V93-V96 PolarHBondContact O-N 3.47Å; R94-V96 PolarHBondContact O-N 3.19Å
97	W	64.5	Low	58.4	Low	53 Å²	53	84 Å²	84	20%	0.201	46%	0.464	C	S	.	.	S	Bend	trans	-74.7	136.5	170.8	-64.3	-4.8	0	0	0	109.4	V93 R94 A106 I110	V93-W97 VanDerWaalsContact O-CD1 3.31Å; R94-W97 HydrophobicContact CG-CD2 4.47Å; R94-W97 HydrophobicContact CG-CE3 4.32Å; R94-W97 HydrophobicContact CG-CH2 3.71Å; R94-W97 HydrophobicContact CG-CZ2 3.87Å; R94-W97 HydrophobicContact CG-CZ3 3.95Å; R94-W97 PolarHBondContact O-N 3.38Å; W97-A106 HydrophobicContact CE3-CB 3.81Å; W97-A106 HydrophobicContact CH2-CB 4.25Å; W97-A106 HydrophobicContact CZ3-CB 3.61Å; W97-I110 HydrophobicContact CH2-CD1 3.83Å; W97-I110 HydrophobicContact CZ2-CD1 3.82Å; W97-I110 HydrophobicContact CZ2-CG1 4.16Å
98	P	58.9	Low	58.6	Low	34 Å²	34	83.2 Å²	83.2	22%	0.221	47%	0.47	C	S	.	.			trans	-53.7	139.8	169.5	-23.5	31.5	0	0	0	111.1	E100 L101	P98-E100 VanDerWaalsContact CB-OE2 3.23Å; P98-E100 WeakPolarHBondContact CB-OE2 3.46Å; P98-E100 PolarHBondContact O-N 3.07Å; P98-L101 HydrophobicContact CB-CG 4.28Å; P98-L101 HydrophobicContact CG-CD1 4.4Å; P98-L101 HydrophobicContact CG-CG 4.41Å; P98-L101 WeakPolarHBondContact O-CB 3.38Å; P98-L101 PolarHBondContact O-N 3.06Å; P98-L101 VanDerWaalsContact O-N 3.07Å
99	S	58.3	Low	58.6	Low	120 Å²	120	82.8 Å²	82.8	84%	0.839	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-21.7	-171.3	-64.1	0	0	0	0	112.4	L101	S99-L101 VanDerWaalsContact C-N 3.29Å
100	E	56.1	Low	59.1	Low	109 Å²	109	80.5 Å²	80.5	51%	0.509	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-13.9	177.7	-36.7	74.5	-110.1	0	0	112.2	P98 G102 Y800	P98-E100 VanDerWaalsContact CB-OE2 3.23Å; P98-E100 WeakPolarHBondContact CB-OE2 3.46Å; P98-E100 PolarHBondContact O-N 3.07Å; E100-G102 PolarHBondContact O-N 3.06Å; E100-Y800 HydrophobicContact CB-CE1 4.25Å; E100-Y800 PolarHBondContact OE2-OH 3.23Å
101	L	57.5	Low	59.4	Low	46 Å²	46	83.7 Å²	83.7	24%	0.241	47%	0.469	C	S	.	.			trans	-72.5	76.3	170.9	-67	-171.3	0	0	0	110.9	P98 S99 Y109	P98-L101 HydrophobicContact CB-CG 4.28Å; P98-L101 HydrophobicContact CG-CD1 4.4Å; P98-L101 HydrophobicContact CG-CG 4.41Å; P98-L101 WeakPolarHBondContact O-CB 3.38Å; P98-L101 PolarHBondContact O-N 3.06Å; P98-L101 VanDerWaalsContact O-N 3.07Å; S99-L101 VanDerWaalsContact C-N 3.29Å; L101-Y109 HydrophobicContact CD1-CD1 4.13Å; L101-Y109 HydrophobicContact CD1-CG 4.1Å
102	G	53.3	Low	59.8	Low	46 Å²	46	82.1 Å²	82.1	47%	0.474	45%	0.452	S	S	.	.			trans	-52.2	159.5	166	0	0	0	0	0	111.8	E100 Y104 G105 A106	E100-G102 PolarHBondContact O-N 3.06Å; G102-Y104 PolarHBondContact O-N 2.89Å; G102-G105 WeakPolarHBondContact O-CA 3.11Å; G102-G105 PolarHBondContact O-N 3.28Å; G102-A106 PolarHBondContact O-N 2.77Å
103	L	52.6	Low	60.6	Low	166 Å²	166	75 Å²	75	87%	0.869	42%	0.422	S	S	*	.	H	α-helix	trans	-46.5	-33	-167.4	-72.2	164.2	0	0	0	116
104	Y	48.7	Very low	61.3	Low	218 Å²	218	76 Å²	76	86%	0.855	42%	0.423	S	S	*	.	H	α-helix	trans	-75.6	-35.9	176	-70.4	-83.8	0	0	0	113.9	G102 A108	G102-Y104 PolarHBondContact O-N 2.89Å; Y104-A108 PolarHBondContact O-N 3.36Å
105	G	63.7	Low	62	Low	30 Å²	30	72 Å²	72	31%	0.309	42%	0.42	S	S	.	.	H	α-helix	trans	-69.1	-40.6	177.3	0	0	0	0	0	112.6	G102 A107 A108 Y109	G102-G105 WeakPolarHBondContact O-CA 3.11Å; G102-G105 PolarHBondContact O-N 3.28Å; G105-A107 VanDerWaalsContact C-N 3.3Å; G105-A107 PolarHBondContact O-N 2.86Å; G105-A108 PolarHBondContact O-N 3.26Å; G105-A108 VanDerWaalsContact O-N 3.15Å; G105-Y109 PolarHBondContact O-N 2.69Å
106	A	64.2	Low	62.4	Low	8 Å²	8	69.3 Å²	69.3	7%	0.066	40%	0.398	C	S	.	.	H	α-helix	trans	-57.1	-41.7	175.5	0	0	0	0	0	112.6	W97 G102 A108 Y109 I110	W97-A106 HydrophobicContact CE3-CB 3.81Å; W97-A106 HydrophobicContact CH2-CB 4.25Å; W97-A106 HydrophobicContact CZ3-CB 3.61Å; G102-A106 PolarHBondContact O-N 2.77Å; A106-A108 PolarHBondContact O-N 3.04Å; A106-Y109 PolarHBondContact O-N 3.15Å; A106-I110 VanDerWaalsContact O-CG1 3.29Å; A106-I110 WeakPolarHBondContact O-CG1 3.3Å; A106-I110 PolarHBondContact O-N 3.41Å
107	A	66	Low	63.1	Low	52 Å²	52	65.7 Å²	65.7	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-66	-35.6	177.5	0	0	0	0	0	113.1	G105 N111	G105-A107 VanDerWaalsContact C-N 3.3Å; G105-A107 PolarHBondContact O-N 2.86Å; A107-N111 PolarHBondContact O-N 3.32Å; A107-N111 PolarHBondContact O-ND2 2.88Å; A107-N111 VanDerWaalsContact O-ND2 3.16Å
108	A	65.7	Low	63.3	Low	59 Å²	59	65.5 Å²	65.5	49%	0.488	39%	0.386	S	S	.	.	H	α-helix	trans	-67.1	-46.8	173.4	0	0	0	0	0	111.3	Y104 G105 A106 I110 N111 E112	Y104-A108 PolarHBondContact O-N 3.36Å; G105-A108 PolarHBondContact O-N 3.26Å; G105-A108 VanDerWaalsContact O-N 3.15Å; A106-A108 PolarHBondContact O-N 3.04Å; A108-I110 PolarHBondContact O-N 3.16Å; A108-N111 PolarHBondContact O-N 3.5Å; A108-N111 VanDerWaalsContact O-N 3.09Å; A108-E112 PolarHBondContact O-N 2.74Å
109	Y	63.2	Low	63.7	Low	25 Å²	25	69.8 Å²	69.8	10%	0.098	40%	0.403	C	S	.	.	H	α-helix	trans	-60.2	-42.2	178.4	-174.7	-113.8	0	0	0	112.7	L101 G105 A106 N111 E112 L113	L101-Y109 HydrophobicContact CD1-CD1 4.13Å; L101-Y109 HydrophobicContact CD1-CG 4.1Å; G105-Y109 PolarHBondContact O-N 2.69Å; A106-Y109 PolarHBondContact O-N 3.15Å; Y109-N111 VanDerWaalsContact C-N 3.31Å; Y109-N111 PolarHBondContact O-N 2.9Å; Y109-E112 WeakPolarHBondContact O-CB 3.22Å; Y109-E112 PolarHBondContact O-N 3.39Å; Y109-L113 HydrophobicContact CD1-CD1 3.93Å; Y109-L113 HydrophobicContact CE1-CD1 3.62Å; Y109-L113 HydrophobicContact CE1-CG 4.45Å; Y109-L113 WeakPolarHBondContact O-CG 3.41Å; Y109-L113 PolarHBondContact O-N 2.71Å
110	I	69.5	Low	64	Low	26 Å²	26	69.5 Å²	69.5	13%	0.133	39%	0.389	C	S	.	.	H	α-helix	trans	-60.2	-39.8	173.6	-69.6	163.7	0	0	0	111.5	W97 A106 A108 L113 K114	W97-I110 HydrophobicContact CH2-CD1 3.83Å; W97-I110 HydrophobicContact CZ2-CD1 3.82Å; W97-I110 HydrophobicContact CZ2-CG1 4.16Å; A106-I110 VanDerWaalsContact O-CG1 3.29Å; A106-I110 WeakPolarHBondContact O-CG1 3.3Å; A106-I110 PolarHBondContact O-N 3.41Å; A108-I110 PolarHBondContact O-N 3.16Å; I110-L113 PolarHBondContact O-N 3.5Å; I110-K114 HydrophobicContact CG2-CD 4.21Å; I110-K114 VanDerWaalsContact O-CG 3.31Å; I110-K114 WeakPolarHBondContact O-CG 3.33Å; I110-K114 PolarHBondContact O-N 2.73Å
111	N	70.7	Confident	64.6	Low	102 Å²	102	69.5 Å²	69.5	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-72	-34	179.1	-72.1	-30.4	0	0	0	112.5	A107 A108 Y109 K114 G115	A107-N111 PolarHBondContact O-N 3.32Å; A107-N111 PolarHBondContact O-ND2 2.88Å; A107-N111 VanDerWaalsContact O-ND2 3.16Å; A108-N111 PolarHBondContact O-N 3.5Å; A108-N111 VanDerWaalsContact O-N 3.09Å; Y109-N111 VanDerWaalsContact C-N 3.31Å; Y109-N111 PolarHBondContact O-N 2.9Å; N111-K114 PolarHBondContact O-N 2.73Å; N111-G115 PolarHBondContact O-N 3.09Å; N111-G115 VanDerWaalsContact O-N 3.15Å
112	E	67.1	Low	65	Low	77 Å²	77	72.4 Å²	72.4	36%	0.36	40%	0.403	S	S	.	.	H	α-helix	trans	-58.8	-51.8	170.1	-160.7	173.8	167.2	0	0	109.9	A108 Y109 K114 G115 I116 K799	A108-E112 PolarHBondContact O-N 2.74Å; Y109-E112 WeakPolarHBondContact O-CB 3.22Å; Y109-E112 PolarHBondContact O-N 3.39Å; E112-K114 PolarHBondContact O-N 2.93Å; E112-G115 PolarHBondContact O-N 3.05Å; E112-G115 VanDerWaalsContact O-N 3.1Å; E112-I116 WeakPolarHBondContact O-CD1 3.33Å; E112-I116 WeakPolarHBondContact O-CG1 3.48Å; E112-I116 PolarHBondContact O-N 3.07Å; E112-K799 IonicContact OE1-NZ 3.46Å; E112-K799 PolarHBondContact OE1-NZ 3.18Å; E112-K799 IonicContact OE2-NZ 2.65Å; E112-K799 PolarHBondContact OE2-NZ 3.17Å
113	L	69.2	Low	65.4	Low	24 Å²	24	75.3 Å²	75.3	13%	0.126	41%	0.407	C	S	.	.	H	α-helix	trans	-60.6	-36.9	175.9	-67.3	174.4	0	0	0	113.7	M88 Y109 I110 G115 I116 V117	M88-L113 HydrophobicContact CE-CB 4.07Å; M88-L113 HydrophobicContact CE-CD1 3.87Å; M88-L113 HydrophobicContact SD-CD1 4.1Å; Y109-L113 HydrophobicContact CD1-CD1 3.93Å; Y109-L113 HydrophobicContact CE1-CD1 3.62Å; Y109-L113 HydrophobicContact CE1-CG 4.45Å; Y109-L113 WeakPolarHBondContact O-CG 3.41Å; Y109-L113 PolarHBondContact O-N 2.71Å; I110-L113 PolarHBondContact O-N 3.5Å; L113-G115 VanDerWaalsContact C-N 3.34Å; L113-G115 PolarHBondContact O-N 3.48Å; L113-I116 HydrophobicContact CD2-CD1 4.29Å; L113-I116 PolarHBondContact O-N 3.39Å; L113-V117 WeakPolarHBondContact O-CG2 3.49Å; L113-V117 PolarHBondContact O-N 2.91Å; L113-V117 VanDerWaalsContact O-N 3.13Å
114	K	71	Confident	65.8	Low	69 Å²	69	72 Å²	72	30%	0.3	39%	0.387	S	S	.	.	H	α-helix	trans	-61.7	-39.8	173.3	-77.5	171.3	178.8	174.6	0	112.3	F84 D85 I110 N111 E112 A118	F84-K114 HydrophobicContact CD1-CG 3.77Å; F84-K114 HydrophobicContact CE1-CB 4.4Å; F84-K114 HydrophobicContact CE1-CG 3.5Å; F84-K114 VanDerWaalsContact CE1-CG 3.5Å; D85-K114 WeakPolarHBondContact OD1-CE 3.41Å; D85-K114 IonicContact OD1-NZ 3.37Å; D85-K114 PolarHBondContact OD1-NZ 2.88Å; I110-K114 HydrophobicContact CG2-CD 4.21Å; I110-K114 VanDerWaalsContact O-CG 3.31Å; I110-K114 WeakPolarHBondContact O-CG 3.33Å; I110-K114 PolarHBondContact O-N 2.73Å; N111-K114 PolarHBondContact O-N 2.73Å; E112-K114 PolarHBondContact O-N 2.93Å; K114-A118 PolarHBondContact O-N 2.88Å; K114-A118 VanDerWaalsContact O-N 3.12Å
115	G	70.9	Confident	66.3	Low	41 Å²	41	64.5 Å²	64.5	42%	0.423	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-49.5	176.4	0	0	0	0	0	112	N111 E112 L113 V117 A118 E119	N111-G115 PolarHBondContact O-N 3.09Å; N111-G115 VanDerWaalsContact O-N 3.15Å; E112-G115 PolarHBondContact O-N 3.05Å; E112-G115 VanDerWaalsContact O-N 3.1Å; L113-G115 VanDerWaalsContact C-N 3.34Å; L113-G115 PolarHBondContact O-N 3.48Å; G115-V117 VanDerWaalsContact C-N 3.35Å; G115-V117 PolarHBondContact O-N 3.37Å; G115-A118 WeakPolarHBondContact O-CB 3.4Å; G115-A118 PolarHBondContact O-N 2.87Å; G115-A118 VanDerWaalsContact O-N 3.13Å; G115-E119 PolarHBondContact O-N 3.4Å
116	I	66.3	Low	66	Low	38 Å²	38	69.7 Å²	69.7	20%	0.195	39%	0.386	C	S	.	.	H	α-helix	trans	-59.5	-43.6	-179.5	-63.5	150.5	0	0	0	111.5	E112 L113 A118 E119 Q120 I884	E112-I116 WeakPolarHBondContact O-CD1 3.33Å; E112-I116 WeakPolarHBondContact O-CG1 3.48Å; E112-I116 PolarHBondContact O-N 3.07Å; L113-I116 HydrophobicContact CD2-CD1 4.29Å; L113-I116 PolarHBondContact O-N 3.39Å; I116-A118 VanDerWaalsContact C-N 3.33Å; I116-A118 PolarHBondContact O-N 3.44Å; I116-E119 PolarHBondContact O-N 2.91Å; I116-Q120 PolarHBondContact O-N 3.37Å; I116-I884 HydrophobicContact CD1-CB 4.34Å; I116-I884 HydrophobicContact CD1-CD1 3.51Å; I116-I884 HydrophobicContact CD1-CG1 3.68Å; I116-I884 HydrophobicContact CD1-CG2 3.71Å; I116-I884 HydrophobicContact CG1-CD1 3.81Å; I116-I884 HydrophobicContact CG1-CG1 4.23Å; I116-I884 HydrophobicContact CG2-CD1 3.98Å
117	V	68.5	Low	65.1	Low	36 Å²	36	71.4 Å²	71.4	22%	0.218	41%	0.405	C	S	.	.	H	α-helix	trans	-71.9	-26.2	179.3	172.3	0	0	0	0	112.4	F84 L113 G115 K121	F84-V117 HydrophobicContact CD2-CG1 4.36Å; F84-V117 HydrophobicContact CE2-CB 4.08Å; F84-V117 HydrophobicContact CE2-CG1 3.86Å; F84-V117 HydrophobicContact CE2-CG2 3.81Å; F84-V117 HydrophobicContact CZ-CB 4.14Å; F84-V117 HydrophobicContact CZ-CG1 4.41Å; F84-V117 HydrophobicContact CZ-CG2 3.85Å; L113-V117 WeakPolarHBondContact O-CG2 3.49Å; L113-V117 PolarHBondContact O-N 2.91Å; L113-V117 VanDerWaalsContact O-N 3.13Å; G115-V117 VanDerWaalsContact C-N 3.35Å; G115-V117 PolarHBondContact O-N 3.37Å; V117-K121 HydrophobicContact CG1-CD 4.45Å; V117-K121 WeakPolarHBondContact O-CD 3.47Å; V117-K121 VanDerWaalsContact O-CG 3.3Å; V117-K121 WeakPolarHBondContact O-CG 3.29Å; V117-K121 PolarHBondContact O-N 2.85Å
118	A	68.3	Low	64.1	Low	50 Å²	50	78.4 Å²	78.4	41%	0.413	42%	0.42	S	S	.	.	H	α-helix	trans	-72.1	-41.2	169.4	0	0	0	0	0	111.7	K114 G115 I116 K121 N122	K114-A118 PolarHBondContact O-N 2.88Å; K114-A118 VanDerWaalsContact O-N 3.12Å; G115-A118 WeakPolarHBondContact O-CB 3.4Å; G115-A118 PolarHBondContact O-N 2.87Å; G115-A118 VanDerWaalsContact O-N 3.13Å; I116-A118 VanDerWaalsContact C-N 3.33Å; I116-A118 PolarHBondContact O-N 3.44Å; A118-K121 PolarHBondContact O-N 3.16Å; A118-N122 PolarHBondContact O-N 2.9Å; A118-N122 PolarHBondContact O-ND2 2.75Å
119	E	67.3	Low	63	Low	124 Å²	124	80.5 Å²	80.5	58%	0.579	43%	0.431	S	S	*	.	H	α-helix	trans	-65.7	-43.5	177.6	-171.2	171.3	-157.5	0	0	112.2	G115 I116 K121 N122 L123	G115-E119 PolarHBondContact O-N 3.4Å; I116-E119 PolarHBondContact O-N 2.91Å; E119-K121 VanDerWaalsContact C-N 3.31Å; E119-K121 PolarHBondContact O-N 2.98Å; E119-N122 WeakPolarHBondContact O-CB 3.47Å; E119-N122 PolarHBondContact O-N 3.43Å; E119-N122 VanDerWaalsContact O-N 3.14Å; E119-L123 HydrophobicContact CG-CD1 4.29Å; E119-L123 WeakPolarHBondContact O-CG 3.44Å; E119-L123 PolarHBondContact O-N 2.89Å
120	Q	64.2	Low	61.9	Low	114 Å²	114	85 Å²	85	53%	0.533	46%	0.461	S	S	.	.	H	α-helix	trans	-57.3	-42.7	172.3	-76.5	-173.9	-39.5	0	0	112.3	I116 N122 L123 E124	I116-Q120 PolarHBondContact O-N 3.37Å; Q120-N122 VanDerWaalsContact C-N 3.32Å; Q120-N122 PolarHBondContact O-N 3.22Å; Q120-L123 PolarHBondContact O-N 2.62Å; Q120-E124 WeakPolarHBondContact O-CG 3.23Å; Q120-E124 PolarHBondContact O-N 3.04Å
121	K	67.8	Low	60.2	Low	108 Å²	108	86.6 Å²	86.6	47%	0.47	49%	0.485	S	S	.	.	H	α-helix	trans	-65.5	-32.9	177.2	-75.8	172.1	-178.8	175.2	0	113	V117 A118 E119 A125	V117-K121 HydrophobicContact CG1-CD 4.45Å; V117-K121 WeakPolarHBondContact O-CD 3.47Å; V117-K121 VanDerWaalsContact O-CG 3.3Å; V117-K121 WeakPolarHBondContact O-CG 3.29Å; V117-K121 PolarHBondContact O-N 2.85Å; A118-K121 PolarHBondContact O-N 3.16Å; E119-K121 VanDerWaalsContact C-N 3.31Å; E119-K121 PolarHBondContact O-N 2.98Å; K121-A125 WeakPolarHBondContact O-CB 3.48Å; K121-A125 PolarHBondContact O-N 3.23Å; K121-A125 VanDerWaalsContact O-N 3.11Å
122	N	66.3	Low	58.4	Low	108 Å²	108	89.8 Å²	89.8	58%	0.578	50%	0.501	S	S	*	.	H	α-helix	trans	-68.8	-45.3	172.9	-66.9	-22.4	0	0	0	111.2	A118 E119 Q120 E124 A125 E126	A118-N122 PolarHBondContact O-N 2.9Å; A118-N122 PolarHBondContact O-ND2 2.75Å; E119-N122 WeakPolarHBondContact O-CB 3.47Å; E119-N122 PolarHBondContact O-N 3.43Å; E119-N122 VanDerWaalsContact O-N 3.14Å; Q120-N122 VanDerWaalsContact C-N 3.32Å; Q120-N122 PolarHBondContact O-N 3.22Å; N122-E124 PolarHBondContact O-N 2.74Å; N122-A125 WeakPolarHBondContact O-CB 3.23Å; N122-A125 PolarHBondContact O-N 3.09Å; N122-A125 VanDerWaalsContact O-N 3.14Å; N122-E126 PolarHBondContact O-N 3.13Å
123	L	63.2	Low	56.7	Low	106 Å²	106	91 Å²	91	56%	0.555	52%	0.519	S	S	*	.	H	α-helix	trans	-63.5	-38.7	177.2	-69.1	168.9	0	0	0	112.5	E119 Q120 A125 G127	E119-L123 HydrophobicContact CG-CD1 4.29Å; E119-L123 WeakPolarHBondContact O-CG 3.44Å; E119-L123 PolarHBondContact O-N 2.89Å; Q120-L123 PolarHBondContact O-N 2.62Å; L123-A125 VanDerWaalsContact C-N 3.34Å; L123-G127 PolarHBondContact O-N 3.41Å
124	E	60	Low	55	Low	98 Å²	98	97.7 Å²	97.7	46%	0.458	55%	0.554	S	S	.	*	H	α-helix	trans	-64.8	-36.3	172.2	-76.2	-173	174.5	0	0	112.5	Q120 N122 R128	Q120-E124 WeakPolarHBondContact O-CG 3.23Å; Q120-E124 PolarHBondContact O-N 3.04Å; N122-E124 PolarHBondContact O-N 2.74Å; E124-R128 WeakPolarHBondContact O-CB 3.12Å; E124-R128 PolarHBondContact O-N 2.91Å
125	A	59.8	Low	53.2	Low	60 Å²	60	99.4 Å²	99.4	50%	0.496	58%	0.575	S	S	.	*	H	α-helix	trans	-68.5	-43.8	177	0	0	0	0	0	112.1	K121 N122 L123 S129	K121-A125 WeakPolarHBondContact O-CB 3.48Å; K121-A125 PolarHBondContact O-N 3.23Å; K121-A125 VanDerWaalsContact O-N 3.11Å; N122-A125 WeakPolarHBondContact O-CB 3.23Å; N122-A125 PolarHBondContact O-N 3.09Å; N122-A125 VanDerWaalsContact O-N 3.14Å; L123-A125 VanDerWaalsContact C-N 3.34Å; A125-S129 WeakPolarHBondContact O-CB 3.32Å; A125-S129 PolarHBondContact O-N 3.45Å; A125-S129 VanDerWaalsContact O-N 3.08Å
126	E	56.9	Low	51.5	Low	138 Å²	138	104.1 Å²	104.1	65%	0.645	60%	0.595	S	S	*	*	H	α-helix	trans	-68.2	-38.6	175.3	-66.8	-169.6	159.6	0	0	112	N122 S129 T130	N122-E126 PolarHBondContact O-N 3.13Å; E126-S129 PolarHBondContact O-N 2.86Å; E126-T130 PolarHBondContact O-N 2.98Å; E126-T130 PolarHBondContact O-OG1 3.31Å; E126-T130 VanDerWaalsContact O-OG1 3.12Å
127	G	44.7	Very low	49.8	Very low	44 Å²	44	106 Å²	106	45%	0.454	62%	0.623	S	S	.	*	H	α-helix	trans	-62.5	-44.9	173.7	0	0	0	0	0	113.3	L123 S129 T130	L123-G127 PolarHBondContact O-N 3.41Å; G127-S129 VanDerWaalsContact C-N 3.27Å; G127-S129 PolarHBondContact O-N 3.31Å; G127-T130 PolarHBondContact O-N 2.87Å; G127-T130 PolarHBondContact O-OG1 3.01Å
128	R	46.5	Very low	48.2	Very low	199 Å²	199	109.5 Å²	109.5	75%	0.751	65%	0.65	S	S	*	*	H	α-helix	trans	-69.8	-20.7	174.5	-85.9	179	160.3	150.4	-6.2	113.4	E124	E124-R128 WeakPolarHBondContact O-CB 3.12Å; E124-R128 PolarHBondContact O-N 2.91Å
129	S	42	Very low	46.6	Very low	104 Å²	104	111.8 Å²	111.8	73%	0.727	66%	0.662	S	S	*	*	H	α-helix	trans	-79	-17.2	177.9	-164.1	0	0	0	0	114.1	A125 E126 G127	A125-S129 WeakPolarHBondContact O-CB 3.32Å; A125-S129 PolarHBondContact O-N 3.45Å; A125-S129 VanDerWaalsContact O-N 3.08Å; E126-S129 PolarHBondContact O-N 2.86Å; G127-S129 VanDerWaalsContact C-N 3.27Å; G127-S129 PolarHBondContact O-N 3.31Å
130	T	40.6	Very low	45.1	Very low	118 Å²	118	115.8 Å²	115.8	72%	0.724	67%	0.672	S	S	*	*	H	α-helix	trans	-106.2	-11.7	-171.8	45.9	0	0	0	0	115	E126 G127 N132	E126-T130 PolarHBondContact O-N 2.98Å; E126-T130 PolarHBondContact O-OG1 3.31Å; E126-T130 VanDerWaalsContact O-OG1 3.12Å; G127-T130 PolarHBondContact O-N 2.87Å; G127-T130 PolarHBondContact O-OG1 3.01Å; T130-N132 PolarHBondContact O-N 3.24Å
131	G	32.6	Very low	43.8	Very low	61 Å²	61	116.2 Å²	116.2	63%	0.629	68%	0.678	S	S	*	*			trans	-95.1	63.4	-174.1	0	0	0	0	0	116.5
132	N	33.1	Very low	42.3	Very low	168 Å²	168	119.4 Å²	119.4	90%	0.898	70%	0.695	S	S	*	*			trans	-163.4	73.6	166	-114.9	-31.6	0	0	0	114.6	T130	T130-N132 PolarHBondContact O-N 3.24Å
133	S	31.2	Very low	40.7	Very low	104 Å²	104	120.2 Å²	120.2	73%	0.727	70%	0.695	S	S	*	*			trans	-162.7	140.2	171.6	-168.1	0	0	0	0	112.5
134	L	33.1	Very low	39.4	Very low	163 Å²	163	122.6 Å²	122.6	85%	0.853	70%	0.701	S	S	*	*			trans	68.6	133	177.9	-50	169.4	0	0	0	114.4
135	S	34.3	Very low	38.3	Very low	106 Å²	106	123.2 Å²	123.2	74%	0.741	71%	0.711	S	S	*	*			cis	-159.5	141.9	17.3	48.9	0	0	0	0	115.5
136	V	35.3	Very low	37.1	Very low	139 Å²	139	126.3 Å²	126.3	84%	0.842	72%	0.719	S	S	*	*				55.4	83.9	127.5	-168.6	0	0	0	0	121.5
137	G	30.1	Very low	36.1	Very low	77 Å²	77	128 Å²	128	79%	0.794	73%	0.727	S	S	*	*				48.2	136.9	108.4	0	0	0	0	0	125
138	S	34.7	Very low	35.6	Very low	111 Å²	111	129.8 Å²	129.8	78%	0.776	74%	0.738	S	S	*	*			trans	-161.6	140.6	140.2	-171.8	0	0	0	0	111.8
139	S	35.6	Very low	34.9	Very low	97 Å²	97	125.8 Å²	125.8	68%	0.678	74%	0.74	S	S	*	*			trans	46.4	136.9	153.5	-53.7	0	0	0	0	120.2
140	R	35.5	Very low	34.7	Very low	209 Å²	209	126.3 Å²	126.3	79%	0.789	74%	0.741	S	S	*	*			cis	-171.4	174.1	14.9	-127.6	-175.8	-168.2	140.8	3.2	110.8
141	D	36.7	Very low	34.2	Very low	122 Å²	122	128.4 Å²	128.4	65%	0.652	75%	0.747	S	S	*	*			trans	57.3	104.5	155.5	-45.4	-24.2	0	0	0	118.7
142	E	35.7	Very low	34.1	Very low	175 Å²	175	131.9 Å²	131.9	82%	0.818	75%	0.751	S	S	*	*				87	143.2	104.8	-74.3	-166	177	0	0	114.3
143	E	34.2	Very low	33.8	Very low	125 Å²	125	128.8 Å²	128.8	58%	0.584	74%	0.739	S	S	*	*			cis	-151.1	161.3	7.1	-136.3	-157.1	160.3	0	0	113.2
144	K	35.6	Very low	33.8	Very low	157 Å²	157	129.9 Å²	129.9	68%	0.683	74%	0.741	S	S	*	*			trans	63	125.5	148.6	-80.9	-179.3	-177.1	118.3	0	124.5
145	V	36.5	Very low	33.7	Very low	111 Å²	111	129.7 Å²	129.7	67%	0.673	74%	0.736	S	S	*	*				96.6	87.4	126.5	174.5	0	0	0	0	120.7
146	N	35	Very low	33.5	Very low	124 Å²	124	130.9 Å²	130.9	66%	0.663	73%	0.733	S	S	*	*				76	119	117.2	-61.3	-7.1	0	0	0	124.3
147	Q	35	Very low	33.5	Very low	173 Å²	173	128.8 Å²	128.8	81%	0.808	73%	0.725	S	S	*	*				83.4	90.9	123.8	-67.8	176.2	5.1	0	0	121.6
148	A	34.5	Very low	33.8	Very low	83 Å²	83	135.4 Å²	135.4	69%	0.686	73%	0.726	S	S	*	*				80	101.7	104.2	0	0	0	0	0	121.8
149	S	31.4	Very low	33.8	Very low	114 Å²	114	135 Å²	135	80%	0.797	72%	0.723	S	S	*	*				81.2	166.5	125.8	-43.7	0	0	0	0	116.5
150	P	38	Very low	33.9	Very low	116 Å²	116	138.7 Å²	138.7	75%	0.753	73%	0.727	S	S	*	*				-136	-171.5	-111.1	32.7	-7.7	0	0	0	115
151	L	29.9	Very low	33.9	Very low	161 Å²	161	134.5 Å²	134.5	84%	0.843	73%	0.725	S	S	*	*			trans	120.4	158	160.2	-69.3	163.2	0	0	0	116
152	D	30.5	Very low	33.9	Very low	134 Å²	134	135.8 Å²	135.8	72%	0.717	73%	0.728	S	S	*	*			trans	73.8	104.7	164.9	-90.7	-49.7	0	0	0	122.2
153	T	27.9	Very low	33.9	Very low	104 Å²	104	132.5 Å²	132.5	64%	0.638	72%	0.72	S	S	*	*				48	149.7	120.8	55.7	0	0	0	0	123.5
154	T	30.6	Very low	34	Very low	126 Å²	126	133.6 Å²	133.6	77%	0.773	72%	0.723	S	S	*	*			trans	67.2	147.8	152.5	42.9	0	0	0	0	118.8
155	E	30	Very low	34	Very low	160 Å²	160	133.4 Å²	133.4	75%	0.748	73%	0.725	S	S	*	*			cis	-164.7	176.1	-22.8	-145	-168.3	172.1	0	0	110.2
156	L	31.8	Very low	34	Very low	130 Å²	130	131.4 Å²	131.4	68%	0.681	72%	0.72	S	S	*	*			trans	60.2	118.3	146.8	-125.7	77.3	0	0	0	121.4
157	S	34.7	Very low	34.1	Very low	96 Å²	96	133.6 Å²	133.6	67%	0.671	73%	0.726	S	S	*	*				166.8	143.6	119.6	-80.4	0	0	0	0	112.3
158	R	36.3	Very low	34.2	Very low	215 Å²	215	131.1 Å²	131.1	81%	0.811	72%	0.717	S	S	*	*			cis	-165.9	153	-5.4	-117	168.7	-174.6	-179.6	2.9	110.7
159	S	35.1	Very low	34.1	Very low	102 Å²	102	132.7 Å²	132.7	71%	0.713	71%	0.714	S	S	*	*			trans	79.2	143.6	157.7	-51.7	0	0	0	0	119.2
160	K	37.4	Very low	34.2	Very low	176 Å²	176	135.1 Å²	135.1	77%	0.765	71%	0.713	S	S	*	*			cis	-168.2	137.5	-15.1	-114.6	-178.3	-176.7	178.7	0	111.3
161	T	35.1	Very low	33.8	Very low	121 Å²	121	134.8 Å²	134.8	74%	0.742	71%	0.713	S	S	*	*			trans	60.5	147.2	146.1	55	0	0	0	0	120.4
162	M	36.8	Very low	34.2	Very low	148 Å²	148	132.2 Å²	132.2	73%	0.729	71%	0.706	S	S	*	*			cis	-162.5	141.2	1.9	-124.1	178	79.4	0	0	113
163	T	35.5	Very low	34.2	Very low	106 Å²	106	132 Å²	132	65%	0.65	71%	0.709	S	S	*	*			trans	59.3	149.8	148.1	51.8	0	0	0	0	120.9
164	K	37.2	Very low	34.3	Very low	149 Å²	149	133.8 Å²	133.8	65%	0.648	72%	0.72	S	S	*	*			cis	-159.3	149.6	4.3	-127.6	175.5	-174.9	-80.2	0	111.5
165	E	34.2	Very low	34.4	Very low	153 Å²	153	131.4 Å²	131.4	72%	0.715	72%	0.721	S	S	*	*			trans	40.2	144.2	136.1	-73.8	157.5	-147.8	0	0	122.6
166	A	37	Very low	34.3	Very low	68 Å²	68	127.5 Å²	127.5	56%	0.562	72%	0.723	S	S	*	*			cis	-173.9	164.7	-6.5	0	0	0	0	0	114.5
167	H	38.5	Very low	34.5	Very low	171 Å²	171	129.7 Å²	129.7	79%	0.792	73%	0.73	S	S	*	*			trans	68.1	146.9	140.4	-73.6	-25	0	0	0	121.3
168	I	35.7	Very low	34.2	Very low	120 Å²	120	132.9 Å²	132.9	62%	0.615	73%	0.734	S	S	*	*			cis	-167.6	152.1	-15.1	-144.1	173.1	0	0	0	111.9
169	N	33.1	Very low	33.9	Very low	117 Å²	117	127.4 Å²	127.4	63%	0.626	73%	0.725	S	S	*	*			trans	58.6	160.4	155.6	-65.2	-14.7	0	0	0	121.4
170	Q	32.8	Very low	33.6	Very low	165 Å²	165	128.4 Å²	128.4	77%	0.771	72%	0.721	S	S	*	*			cis	-159.3	174.3	-22.3	-107.8	165.8	16.9	0	0	110.6
171	S	29.1	Very low	33.3	Very low	108 Å²	108	129.9 Å²	129.9	76%	0.755	72%	0.723	S	S	*	*			trans	-83.2	-168	178.6	54.4	0	0	0	0	112.6
172	P	38.5	Very low	33	Very low	107 Å²	107	130.3 Å²	130.3	70%	0.695	72%	0.721	S	S	*	*			cis	-149.7	168.4	14.9	43.6	-21.2	0	0	0	121.7
173	T	31.4	Very low	32.6	Very low	129 Å²	129	128.8 Å²	128.8	79%	0.791	72%	0.716	S	S	*	*			trans	26.6	142.3	135.9	-36.6	0	0	0	0	124.5
174	V	30.8	Very low	32.5	Very low	142 Å²	142	132.1 Å²	132.1	86%	0.861	73%	0.726	S	S	*	*				155.3	141	125.6	162.3	0	0	0	0	115.1
175	G	31.7	Very low	32.1	Very low	77 Å²	77	134.8 Å²	134.8	79%	0.794	73%	0.732	S	S	*	*			trans	96.8	140.4	165	0	0	0	0	0	115.4
176	G	28.9	Very low	32	Very low	78 Å²	78	133.2 Å²	133.2	80%	0.804	73%	0.729	S	S	*	*			cis	118.6	122	13.3	0	0	0	0	0	108.5
177	E	34.2	Very low	31.8	Very low	176 Å²	176	138.1 Å²	138.1	82%	0.822	74%	0.737	S	S	*	*			cis	-160.4	147.9	43.5	-93.6	174.7	154.3	0	0	110.1
178	Q	30	Very low	31.6	Very low	163 Å²	163	135.7 Å²	135.7	76%	0.762	73%	0.73	S	S	*	*				63.2	143.2	95	-59.7	-164.5	-7.9	0	0	117.3
179	T	30.3	Very low	31.4	Very low	99 Å²	99	134.5 Å²	134.5	61%	0.607	73%	0.725	S	S	*	*			cis	-171.8	144.3	-1.4	25.2	0	0	0	0	114.7
180	I	28.4	Very low	31.4	Very low	124 Å²	124	136.7 Å²	136.7	64%	0.636	73%	0.729	S	S	*	*			trans	66.7	152.4	136.1	-52.3	160.7	0	0	0	122.2
181	Y	30.2	Very low	31.4	Very low	206 Å²	206	136.1 Å²	136.1	81%	0.808	73%	0.73	S	S	*	*			trans	95.9	136.7	162.4	-63.8	-71.7	0	0	0	118.5
182	D	28.7	Very low	31.4	Very low	130 Å²	130	137.9 Å²	137.9	70%	0.695	73%	0.73	S	S	*	*			cis	-170.8	173.5	-41.4	-116.6	-37.9	0	0	0	111
183	D	29.1	Very low	31.3	Very low	116 Å²	116	140.4 Å²	140.4	62%	0.62	74%	0.738	S	S	*	*			trans	16.4	134.7	154.9	-121	-9.9	0	0	0	119.2
184	M	34	Very low	31.1	Very low	176 Å²	176	142.4 Å²	142.4	87%	0.867	74%	0.735	S	S	*	*				-155.5	144.9	59.5	-75.9	-165.3	-178.7	0	0	116.8
185	R	28	Very low	31.3	Very low	206 Å²	206	143 Å²	143	78%	0.777	73%	0.734	S	S	*	*			trans	-56.1	161.4	171	-66.6	167	151.4	142.1	-6.5	117.1
186	N	30.8	Very low	31.4	Very low	120 Å²	120	144.3 Å²	144.3	64%	0.642	73%	0.73	S	S	*	*				105.1	131.5	121.2	-100.8	-19	0	0	0	121.4
187	K	33.8	Very low	31.3	Very low	170 Å²	170	148.2 Å²	148.2	74%	0.739	73%	0.732	S	S	*	*			trans	76.7	148.8	144.5	-65.4	176.5	-178.2	-179	0	117.5
188	N	34.1	Very low	31.2	Very low	120 Å²	120	148.5 Å²	148.5	64%	0.642	73%	0.733	S	S	*	*			cis	-153.6	147.2	4.5	-134.8	24.4	0	0	0	115.1
189	D	32.4	Very low	31	Very low	95 Å²	95	146.3 Å²	146.3	51%	0.508	73%	0.731	S	S	.	*			trans	48.7	119.8	135.1	-82.2	-20.7	0	0	0	124.5
190	K	32.9	Very low	31	Very low	163 Å²	163	149.1 Å²	149.1	71%	0.709	74%	0.74	S	S	*	*				74.3	163.5	126.1	-62.9	167	-173	140	0	117.6
191	I	32	Very low	30.9	Very low	154 Å²	154	148.8 Å²	148.8	79%	0.79	75%	0.748	S	S	*	*			cis	-120.2	152.8	12.4	-86.3	83.2	0	0	0	111.5
192	L	29.9	Very low	30.8	Very low	145 Å²	145	143 Å²	143	76%	0.759	75%	0.751	S	S	*	*			trans	-88.7	154.9	165.4	-79.7	155.7	0	0	0	110.4
193	D	35.1	Very low	30.8	Very low	160 Å²	160	140.8 Å²	140.8	86%	0.856	76%	0.759	S	S	*	*			trans	-140.8	161	139.4	-138	-21.4	0	0	0	113.1
194	K	28.3	Very low	30.6	Very low	170 Å²	170	141.9 Å²	141.9	74%	0.739	77%	0.769	S	S	*	*			trans	-140.4	128.6	-178.2	-69.6	179	176	-177.6	0	109.8
195	D	35.5	Very low	30.2	Very low	155 Å²	155	137.9 Å²	137.9	83%	0.829	76%	0.759	S	S	*	*			trans	-171.3	153.4	151.1	-100.3	-24.9	0	0	0	109.4
196	S	33	Very low	30	Very low	104 Å²	104	135.2 Å²	135.2	73%	0.727	76%	0.758	S	S	*	*			cis	-159.5	156.1	-31.8	-118.5	0	0	0	0	109.1
197	L	25.9	Very low	30	Very low	161 Å²	161	136.5 Å²	136.5	84%	0.843	77%	0.77	S	S	*	*			trans	-75.8	137.6	176	-75.7	162.8	0	0	0	110.9
198	H	32.8	Very low	29.7	Very low	182 Å²	182	132.9 Å²	132.9	84%	0.843	77%	0.767	S	S	*	*			trans	-150.5	121.1	151.8	-119.5	-73.3	0	0	0	113.7
199	T	26.1	Very low	29.3	Very low	116 Å²	116	133.4 Å²	133.4	71%	0.712	77%	0.774	S	S	*	*			trans	-97	137.3	170.4	-56	0	0	0	0	109.7
200	I	30.4	Very low	29.2	Very low	158 Å²	158	134.6 Å²	134.6	81%	0.81	78%	0.78	S	S	*	*			trans	-144.4	142.4	153.3	-63.3	-170.7	0	0	0	108.3
201	C	26.1	Very low	29.1	Very low	118 Å²	118	132.3 Å²	132.3	80%	0.797	77%	0.772	S	S	*	*			trans	-113.3	163	175.1	-64.2	0	0	0	0	111.9
202	G	27.5	Very low	29	Very low	85 Å²	85	135.6 Å²	135.6	88%	0.876	77%	0.774	S	S	*	*			trans	111	145.9	157.4	0	0	0	0	0	116.1
203	G	28.9	Very low	28.9	Very low	82 Å²	82	131.9 Å²	131.9	85%	0.845	77%	0.771	S	S	*	*			trans	149	65.7	174.6	0	0	0	0	0	115.6
204	V	25.2	Very low	28.8	Very low	139 Å²	139	132.6 Å²	132.6	84%	0.842	77%	0.769	S	S	*	*			trans	-87.4	130.3	169.1	-179.7	0	0	0	0	109.3
205	S	25.5	Very low	28.8	Very low	93 Å²	93	132.4 Å²	132.4	65%	0.65	77%	0.768	S	S	*	*			trans	161.6	132.3	134.4	-77.2	0	0	0	0	115.9
206	I	23.8	Very low	28.6	Very low	149 Å²	149	131.2 Å²	131.2	76%	0.764	77%	0.766	S	S	*	*				44.3	112.8	128.1	-45.8	162.8	0	0	0	119
207	V	30.1	Very low	28.3	Very low	147 Å²	147	130.6 Å²	130.6	89%	0.891	77%	0.768	S	S	*	*			trans	-140.3	144	135	-173.3	0	0	0	0	108.8
208	S	28.4	Very low	28.6	Very low	95 Å²	95	128.8 Å²	128.8	66%	0.664	77%	0.769	S	S	*	*			trans	-99.4	161.6	179.1	-61.8	0	0	0	0	113.3
209	V	25.8	Very low	28.4	Very low	131 Å²	131	125.6 Å²	125.6	79%	0.794	77%	0.767	S	S	*	*			trans	-13.4	133.8	132.4	-160	0	0	0	0	111.6
210	D	31	Very low	29	Very low	119 Å²	119	125.4 Å²	125.4	64%	0.636	77%	0.767	S	S	*	*			cis	-168.1	175.8	43.4	-153.4	-4.6	0	0	0	115.4
211	Q	30.1	Very low	28.9	Very low	115 Å²	115	122.4 Å²	122.4	54%	0.537	76%	0.76	S	S	.	*			trans	75.8	119.6	141.4	-91.6	168.3	74.4	0	0	123.3
212	R	29.9	Very low	29.1	Very low	224 Å²	224	122.8 Å²	122.8	85%	0.845	76%	0.759	S	S	*	*			trans	71.4	144.6	147.6	-52.3	164.1	-158.3	-101.3	0.6	117
213	G	28.4	Very low	29.4	Very low	67 Å²	67	126.3 Å²	126.3	69%	0.691	75%	0.753	S	S	*	*			cis	161.3	149.7	-8	0	0	0	0	0	112.8
214	E	31.5	Very low	29.7	Very low	174 Å²	174	127 Å²	127	81%	0.813	74%	0.737	S	S	*	*			trans	65.1	165.6	172.5	-63.6	-149.9	110.4	0	0	118.2
215	K	28.4	Very low	30.1	Very low	166 Å²	166	127.6 Å²	127.6	72%	0.722	73%	0.731	S	S	*	*			cis	-175.8	168.6	-39.5	-162.7	167.5	-174.9	176.3	0	108
216	V	31.3	Very low	30.5	Very low	130 Å²	130	129.7 Å²	129.7	79%	0.788	74%	0.735	S	S	*	*			trans	70.1	117.8	172.1	-167.9	0	0	0	0	113.8
217	A	27.8	Very low	30.7	Very low	92 Å²	92	127.5 Å²	127.5	76%	0.76	73%	0.729	S	S	*	*			cis	94.9	103.6	26.8	0	0	0	0	0	116
218	S	32	Very low	30.7	Very low	123 Å²	123	130.2 Å²	130.2	86%	0.86	73%	0.729	S	S	*	*			trans	-171.6	137.2	148.9	53.2	0	0	0	0	113.2
219	S	28.4	Very low	30.8	Very low	114 Å²	114	131.4 Å²	131.4	80%	0.797	73%	0.732	S	S	*	*			trans	-104	-169.3	166.2	-38	0	0	0	0	108.7
220	P	37.9	Very low	31.4	Very low	112 Å²	112	131.4 Å²	131.4	73%	0.727	74%	0.735	S	S	*	*			cis	-139.7	-164.7	-9.3	37.5	-15.8	0	0	0	114.9
221	S	28.8	Very low	31.5	Very low	95 Å²	95	129.3 Å²	129.3	66%	0.664	74%	0.742	S	S	*	*			trans	94.5	129.7	135.4	70.6	0	0	0	0	123.1
222	T	31.2	Very low	31.4	Very low	126 Å²	126	131.4 Å²	131.4	77%	0.773	76%	0.756	S	S	*	*			trans	60.5	148	149.9	35	0	0	0	0	118.5
223	E	33.8	Very low	31.6	Very low	160 Å²	160	129 Å²	129	75%	0.748	76%	0.757	S	S	*	*			cis	-158.1	174.8	16.1	-130.8	-173.8	-138.1	0	0	108.4
224	N	34.6	Very low	31.7	Very low	95 Å²	95	132.9 Å²	132.9	51%	0.508	76%	0.762	S	S	.	*			cis	-159.6	179.4	-2.3	-150.7	-26.3	0	0	0	109.6
225	Q	33.9	Very low	31.6	Very low	152 Å²	152	132 Å²	132	71%	0.71	76%	0.759	S	S	*	*			trans	36.9	147.7	147.4	-80.6	150	41.9	0	0	122.5
226	D	33.1	Very low	31.8	Very low	138 Å²	138	130 Å²	130	74%	0.738	76%	0.761	S	S	*	*			cis	-150.5	-168.9	17.5	-145.8	-24.5	0	0	0	114.5
227	T	28.6	Very low	31.7	Very low	103 Å²	103	134.1 Å²	134.1	63%	0.632	76%	0.763	S	S	*	*			trans	-120.3	154.9	-152.8	-36.2	0	0	0	0	113.3
228	F	30.7	Very low	31.8	Very low	204 Å²	204	133.5 Å²	133.5	90%	0.895	75%	0.753	S	S	*	*				179	164.5	129.8	-108.3	-77.4	0	0	0	112.9
229	T	29.2	Very low	31.8	Very low	120 Å²	120	133 Å²	133	74%	0.736	75%	0.745	S	S	*	*			trans	-131.4	-162.1	-164.1	66.9	0	0	0	0	112.8
230	P	38.2	Very low	31.9	Very low	130 Å²	130	134.1 Å²	134.1	84%	0.844	74%	0.737	S	S	*	*				-115.2	178.8	-129.4	23.7	1.7	0	0	0	115.9
231	G	32.9	Very low	31.5	Very low	76 Å²	76	134.2 Å²	134.2	78%	0.784	74%	0.735	S	S	*	*			trans	-153.5	148.5	176.5	0	0	0	0	0	115
232	N	29.2	Very low	31.6	Very low	158 Å²	158	136 Å²	136	85%	0.845	74%	0.737	S	S	*	*			trans	-89	159.5	-175.6	-64.3	-41.4	0	0	0	113.6
233	M	33.5	Very low	31.4	Very low	175 Å²	175	137.4 Å²	137.4	86%	0.862	74%	0.74	S	S	*	*				174.4	125.5	111.5	-92.2	179.4	-165	0	0	114.6
234	N	30.6	Very low	31.3	Very low	147 Å²	147	141.7 Å²	141.7	79%	0.786	75%	0.75	S	S	*	*				33.5	149.8	128.8	-71	8.8	0	0	0	123
235	M	29.8	Very low	31	Very low	155 Å²	155	141.5 Å²	141.5	76%	0.764	76%	0.756	S	S	*	*			cis	-176.5	-179.8	-11.9	-172.4	167.9	-173.2	0	0	109.6
236	T	32.6	Very low	31	Very low	124 Å²	124	143 Å²	143	76%	0.761	76%	0.763	S	S	*	*			trans	89.5	111.9	171.3	66	0	0	0	0	115
237	R	28.7	Very low	30.7	Very low	217 Å²	217	139.9 Å²	139.9	82%	0.819	76%	0.763	S	S	*	*				75.8	139.6	74.5	-88.3	-164.6	141.4	-168.3	-7.8	112.3
238	S	29.4	Very low	30.8	Very low	80 Å²	80	144.5 Å²	144.5	56%	0.559	78%	0.777	S	S	*	*			cis	-155.8	-176.7	0.8	-111.1	0	0	0	0	107.2
239	V	33.2	Very low	30.7	Very low	113 Å²	113	139.8 Å²	139.8	69%	0.685	77%	0.769	S	S	*	*			cis	-154.3	135.3	15.3	105.8	0	0	0	0	104.7
240	E	29	Very low	30.7	Very low	137 Å²	137	143.2 Å²	143.2	64%	0.64	78%	0.779	S	S	*	*				68.6	140.6	75.9	-74.7	172.7	-159.1	0	0	115.1
241	V	30	Very low	30.5	Very low	113 Å²	113	140.4 Å²	140.4	69%	0.685	77%	0.773	S	S	*	*			cis	-172.4	176.6	-12.6	67.3	0	0	0	0	111.8
242	N	31.4	Very low	30.7	Very low	132 Å²	132	142.7 Å²	142.7	71%	0.706	78%	0.775	S	S	*	*			trans	91.5	115.7	153.3	-75.3	-10.7	0	0	0	121.8
243	N	27.4	Very low	31	Very low	156 Å²	156	140.9 Å²	140.9	83%	0.834	77%	0.765	S	S	*	*			trans	-65.6	156.9	144.6	-62.9	-28.9	0	0	0	110.8
244	W	30.2	Very low	30.8	Very low	251 Å²	251	137.3 Å²	137.3	95%	0.951	75%	0.749	S	S	*	*			trans	-141	152.1	144.8	-108.5	-21.3	0	0	0	111.6
245	S	28.7	Very low	30.8	Very low	91 Å²	91	140.3 Å²	140.3	64%	0.636	76%	0.756	S	S	*	*			trans	-134.7	171.3	177.7	61.2	0	0	0	0	109.5
246	H	33.5	Very low	30.8	Very low	184 Å²	184	138.6 Å²	138.6	85%	0.852	75%	0.749	S	S	*	*			trans	82.2	100.7	-174.5	-54.9	76.3	0	0	0	114.1
247	G	27.5	Very low	30.6	Very low	72 Å²	72	139.2 Å²	139.2	74%	0.742	75%	0.753	S	S	*	*			trans	-82.7	-178.7	-176.2	0	0	0	0	0	116.3
248	H	31.4	Very low	30.5	Very low	199 Å²	199	134.3 Å²	134.3	92%	0.921	75%	0.747	S	S	*	*			trans	-143.2	162.7	138	-99.1	-50.1	0	0	0	108.5
249	S	27.5	Very low	30.5	Very low	105 Å²	105	136.9 Å²	136.9	73%	0.734	76%	0.759	S	S	*	*			trans	-91.4	141.7	-174.7	54.9	0	0	0	0	113
250	M	30.7	Very low	30.2	Very low	193 Å²	193	136 Å²	136	95%	0.951	76%	0.758	S	S	*	*				-164.2	174.3	124.8	-108.9	175.2	178.1	0	0	111.8
251	G	33.4	Very low	30.1	Very low	70 Å²	70	136.2 Å²	136.2	72%	0.722	76%	0.762	S	S	*	*			trans	-84	-171.7	-160.2	0	0	0	0	0	117.6
252	P	36.9	Very low	30	Very low	125 Å²	125	138.6 Å²	138.6	81%	0.812	77%	0.771	S	S	*	*			trans	-91	170.9	-168.1	38.5	-37.7	0	0	0	113.9
253	D	35.1	Very low	29.8	Very low	119 Å²	119	137.5 Å²	137.5	64%	0.636	77%	0.769	S	S	*	*			trans	-157.6	161.9	153.6	-101.7	-36.5	0	0	0	110.6	D400	D253-D400 WeakPolarHBondContact OD1-CB 3.11Å
254	D	29.5	Very low	29.9	Very low	100 Å²	100	134.1 Å²	134.1	54%	0.535	77%	0.772	S	S	.	*			trans	-62.1	151.6	-169.9	-91.6	-24.8	0	0	0	116.8
255	F	31.7	Very low	29.8	Very low	210 Å²	210	128.4 Å²	128.4	92%	0.921	76%	0.764	S	S	*	*			trans	-142.9	110.3	140.2	-115.6	-78.7	0	0	0	112.9
256	N	29.2	Very low	29.7	Very low	119 Å²	119	128.4 Å²	128.4	64%	0.636	77%	0.77	S	S	*	*			trans	-70	139.7	174.3	-91	-91.2	0	0	0	112
257	V	28.8	Very low	29.5	Very low	137 Å²	137	129.3 Å²	129.3	83%	0.83	77%	0.774	S	S	*	*			trans	-123.2	105.4	154.9	178.2	0	0	0	0	108.4
258	V	25.4	Very low	29.5	Very low	115 Å²	115	129.7 Å²	129.7	70%	0.697	77%	0.77	S	S	*	*			trans	-92.2	123.9	173.3	175.1	0	0	0	0	109.2
259	T	29.5	Very low	29.4	Very low	133 Å²	133	130.2 Å²	130.2	82%	0.816	77%	0.77	S	S	*	*			trans	-123	100.4	153.3	50.4	0	0	0	0	108.2
260	S	27.9	Very low	29.3	Very low	95 Å²	95	128.9 Å²	128.9	66%	0.664	77%	0.765	S	S	*	*			trans	-71.4	150.4	178.5	178.9	0	0	0	0	111.6
261	I	26.7	Very low	29.1	Very low	142 Å²	142	127.5 Å²	127.5	73%	0.728	76%	0.761	S	S	*	*			trans	-22.9	135.4	151.6	-56.6	158.2	0	0	0	112.8	T263	I261-T263 HydrophobicContact CG2-CG2 3.82Å
262	D	27.9	Very low	28.9	Very low	162 Å²	162	132.7 Å²	132.7	87%	0.866	77%	0.767	S	S	*	*			trans	-136.1	124.6	155.2	-146.1	-15.8	0	0	0	110
263	T	27.4	Very low	28.3	Very low	109 Å²	109	135.6 Å²	135.6	67%	0.669	77%	0.766	S	S	*	*			trans	-107.2	99.7	-171.4	48.9	0	0	0	0	111.7	I261 V265	I261-T263 HydrophobicContact CG2-CG2 3.82Å; T263-V265 PolarHBondContact O-N 2.79Å
264	G	29.4	Very low	27.9	Very low	86 Å²	86	136.2 Å²	136.2	89%	0.887	77%	0.774	S	S	*	*			trans	-83.7	101.6	174.4	0	0	0	0	0	112.9
265	V	26.9	Very low	27.7	Very low	130 Å²	130	137.6 Å²	137.6	79%	0.788	78%	0.781	S	S	*	*			trans	-101.1	131.5	177.5	171.1	0	0	0	0	111.7	T263	T263-V265 PolarHBondContact O-N 2.79Å
266	A	28.2	Very low	27.6	Very low	92 Å²	92	136.6 Å²	136.6	76%	0.76	78%	0.777	S	S	*	*			trans	60.2	119.5	162.6	0	0	0	0	0	119.2
267	E	29.6	Very low	27.5	Very low	202 Å²	202	135.6 Å²	135.6	94%	0.944	78%	0.779	S	S	*	*				-134	153.1	118.1	-149.6	170.9	-155.2	0	0	109.9
268	A	26.7	Very low	27.5	Very low	80 Å²	80	136 Å²	136	66%	0.661	77%	0.772	S	S	*	*			trans	-146.7	160.1	-172.5	0	0	0	0	0	111.1
269	K	28.9	Very low	27.8	Very low	211 Å²	211	138.4 Å²	138.4	92%	0.917	77%	0.773	S	S	*	*			trans	100.8	150.4	-174.8	-62.8	158.1	-173.7	166.5	0	113.4
270	A	26.6	Very low	27.6	Very low	76 Å²	76	136 Å²	136	63%	0.628	78%	0.775	S	S	*	*			cis	-170.9	141	-22.9	0	0	0	0	0	110.3
271	L	26.6	Very low	27.7	Very low	165 Å²	165	136.5 Å²	136.5	86%	0.864	79%	0.785	S	S	*	*			trans	65.2	164.7	160.8	-57.9	163.9	0	0	0	114
272	Q	27.5	Very low	27.5	Very low	179 Å²	179	138 Å²	138	84%	0.836	79%	0.792	S	S	*	*			cis	-146.5	161.2	15.9	-160.2	166.3	6.7	0	0	111.8
273	K	24.9	Very low	27.6	Very low	185 Å²	185	135.2 Å²	135.2	80%	0.804	79%	0.792	S	S	*	*			trans	-72.1	163.3	171.6	-52.4	176.3	179.4	-176.2	0	111.4
274	V	26.5	Very low	27.4	Very low	132 Å²	132	134.6 Å²	134.6	80%	0.8	80%	0.798	S	S	*	*				-172	154.7	115.9	142.4	0	0	0	0	111.4
275	D	25.3	Very low	27.3	Very low	129 Å²	129	135.3 Å²	135.3	69%	0.69	80%	0.795	S	S	*	*			trans	-84.2	177	-163.8	-40.9	-94.8	0	0	0	115.7
276	F	29.5	Very low	27.4	Very low	189 Å²	189	138.8 Å²	138.8	83%	0.829	80%	0.8	S	S	*	*			trans	143.9	109.3	137.4	-90.3	-90.2	0	0	0	110
277	S	26.7	Very low	27.2	Very low	98 Å²	98	140.8 Å²	140.8	69%	0.685	80%	0.802	S	S	*	*				62.1	103.5	63	174.6	0	0	0	0	114.5
278	E	30.8	Very low	27.1	Very low	145 Å²	145	140.8 Å²	140.8	68%	0.678	80%	0.799	S	S	*	*				-166.2	147.9	119.7	-105.9	-167.4	-177.5	0	0	114.4
279	K	29.7	Very low	27.1	Very low	166 Å²	166	141.9 Å²	141.9	72%	0.722	80%	0.802	S	S	*	*			trans	25.8	133.7	147.5	-55.9	161.8	-164.5	152.2	0	119.1
280	G	25.7	Very low	27.2	Very low	82 Å²	82	138.1 Å²	138.1	85%	0.845	80%	0.796	S	S	*	*			cis	104.6	98.2	14.8	0	0	0	0	0	112.2
281	A	29.7	Very low	27.1	Very low	106 Å²	106	140 Å²	140	88%	0.876	81%	0.805	S	S	*	*			trans	-146	116.9	175	0	0	0	0	0	111.1
282	I	24.1	Very low	27.3	Very low	174 Å²	174	138.5 Å²	138.5	89%	0.892	80%	0.803	S	S	*	*			trans	-95.2	133.3	177.6	-63.1	169.1	0	0	0	109.1
283	A	28.5	Very low	27.3	Very low	104 Å²	104	134.9 Å²	134.9	86%	0.86	80%	0.804	S	S	*	*			trans	-133.6	89.3	173.6	0	0	0	0	0	111.2
284	A	23.5	Very low	27.6	Very low	96 Å²	96	133.1 Å²	133.1	79%	0.793	81%	0.809	S	S	*	*			trans	-93.3	122.2	175.9	0	0	0	0	0	111.6
285	A	28.7	Very low	27.7	Very low	100 Å²	100	131.3 Å²	131.3	83%	0.826	81%	0.807	S	S	*	*			trans	-135.3	90.5	169.6	0	0	0	0	0	108.7
286	K	28.7	Very low	28.1	Very low	203 Å²	203	131.4 Å²	131.4	88%	0.883	82%	0.818	S	S	*	*				91.9	98.7	72.9	-175	168.2	-170.4	167.9	0	111.7
287	V	22.8	Very low	28.2	Very low	134 Å²	134	126.3 Å²	126.3	81%	0.812	82%	0.819	S	S	*	*			trans	-54.2	140.3	178.6	177.3	0	0	0	0	112.3
288	K	28.9	Very low	28.5	Very low	203 Å²	203	128.9 Å²	128.9	88%	0.883	82%	0.823	S	S	*	*			trans	-134.8	109.9	153	-100.7	-169.3	173	-174.2	0	109.9
289	S	26.5	Very low	28.8	Very low	103 Å²	103	127.4 Å²	127.4	72%	0.72	83%	0.829	S	S	*	*			trans	-74.6	134.9	167.6	51.6	0	0	0	0	110.9
290	V	29.4	Very low	29	Very low	131 Å²	131	126.4 Å²	126.4	79%	0.794	83%	0.831	S	S	*	*			trans	-135.2	121.1	156.2	180	0	0	0	0	107.3
291	S	25.8	Very low	29.4	Very low	115 Å²	115	127.4 Å²	127.4	80%	0.804	83%	0.832	S	S	*	*			trans	-98.6	125.1	177.8	-52.9	0	0	0	0	110.2
292	T	30.2	Very low	29.6	Very low	135 Å²	135	131.8 Å²	131.8	83%	0.828	83%	0.834	S	S	*	*			trans	-140.7	119.7	159.9	44.8	0	0	0	0	108.3
293	A	26.6	Very low	29.9	Very low	103 Å²	103	133 Å²	133	85%	0.851	83%	0.833	S	S	*	*			trans	-98.2	135.3	-179.5	0	0	0	0	0	111.3
294	T	31.6	Very low	30.2	Very low	148 Å²	148	136.3 Å²	136.3	91%	0.908	83%	0.831	S	S	*	*			trans	-142.1	143.5	158.1	35.7	0	0	0	0	107.4
295	A	29.2	Very low	30.6	Very low	94 Å²	94	140.2 Å²	140.2	78%	0.777	84%	0.835	S	S	*	*			trans	-110.6	-173.6	-161.8	0	0	0	0	0	113.9
296	S	33.6	Very low	30.7	Very low	131 Å²	131	147 Å²	147	92%	0.916	84%	0.839	S	S	*	*			trans	82	142.6	177.6	77.2	0	0	0	0	116.7
297	G	31.6	Very low	30.8	Very low	82 Å²	82	145 Å²	145	85%	0.845	84%	0.837	S	S	*	*			trans	108.7	59.5	178.4	0	0	0	0	0	115.7
298	I	32.3	Very low	31.1	Very low	152 Å²	152	144.8 Å²	144.8	78%	0.779	84%	0.84	S	S	*	*			trans	-107.3	139.2	165.5	-64	174.8	0	0	0	108.1
299	S	38.5	Very low	31	Very low	114 Å²	114	144 Å²	144	80%	0.797	84%	0.842	S	S	*	*			trans	-138.5	105.9	168	60.2	0	0	0	0	109.5
300	D	32.2	Very low	31.2	Very low	144 Å²	144	148.6 Å²	148.6	77%	0.77	85%	0.849	S	S	*	*			trans	-60.1	137.4	-164.4	-49	-75.8	0	0	0	115.6
301	A	34.5	Very low	31.1	Very low	104 Å²	104	151 Å²	151	86%	0.86	85%	0.849	S	S	*	*	S	Bend	trans	-148.5	-0.1	170.7	0	0	0	0	0	115.4
302	E	34.9	Very low	31.6	Very low	197 Å²	197	151.1 Å²	151.1	92%	0.921	85%	0.846	S	S	*	*	S	Bend	trans	-129.9	23.7	-172.2	-86.8	-166.3	135	0	0	114.2
303	K	30.9	Very low	31.5	Very low	201 Å²	201	153 Å²	153	87%	0.874	85%	0.846	S	S	*	*	S	Bend	trans	-149.9	46.1	-176.1	-142.2	173.6	-174.3	178.3	0	117.4
304	E	33.8	Very low	31.7	Very low	172 Å²	172	153.7 Å²	153.7	80%	0.804	84%	0.841	S	S	*	*			trans	-129.7	168.6	164.3	-105.6	-60.6	157.2	0	0	110.6
305	M	31.1	Very low	31.6	Very low	179 Å²	179	153 Å²	153	88%	0.882	84%	0.837	S	S	*	*			trans	61.3	43.9	-177.6	-63.5	-162	-71.5	0	0	116.6
306	R	31.7	Very low	31.4	Very low	242 Å²	242	155.8 Å²	155.8	91%	0.913	83%	0.834	S	S	*	*	S	Bend		-106.2	141.5	129.2	-91.1	-174.8	169	132.2	-2.9	108
307	L	30.6	Very low	31	Very low	162 Å²	162	157.2 Å²	157.2	85%	0.848	83%	0.83	S	S	*	*			trans	79.5	73.2	179.3	-161.4	73.8	0	0	0	116.9
308	C	28.5	Very low	30.7	Very low	128 Å²	128	159.4 Å²	159.4	87%	0.865	82%	0.823	S	S	*	*			trans	-140	65.3	146.1	-105.6	0	0	0	0	111.5	K310	C308-K310 PolarHBondContact O-N 3.26Å
309	M	27.4	Very low	30.3	Very low	188 Å²	188	161.2 Å²	161.2	93%	0.926	83%	0.825	S	S	*	*			trans	-70.7	82.8	163	-82.8	-172.9	156.3	0	0	109.5	K311	M309-K311 VanDerWaalsContact C-N 3.32Å; M309-K311 PolarHBondContact O-N 2.95Å
310	K	30.1	Very low	30	Very low	199 Å²	199	162.2 Å²	162.2	87%	0.865	83%	0.826	S	S	*	*			trans	-67.9	97.8	160.3	-92.3	-167.1	172.5	-173.3	0	108.3	C308	C308-K310 PolarHBondContact O-N 3.26Å
311	K	27.7	Very low	29.6	Very low	182 Å²	182	162.5 Å²	162.5	79%	0.791	83%	0.828	S	S	*	*			trans	-44.9	132.6	163.5	-173.7	-177.1	-176.1	-174.8	0	108.7	M309 E313	M309-K311 VanDerWaalsContact C-N 3.32Å; M309-K311 PolarHBondContact O-N 2.95Å; K311-E313 PolarHBondContact O-N 3.36Å
312	P	35.9	Very low	29.4	Very low	116 Å²	116	161.2 Å²	161.2	75%	0.753	82%	0.824	S	S	*	*			trans	-62.3	124.6	174.8	26.1	-33.1	0	0	0	108.9
313	E	29.8	Very low	29	Very low	176 Å²	176	157.9 Å²	157.9	82%	0.822	82%	0.818	S	S	*	*			trans	-74.6	136.6	168.2	-68.7	-164.8	139.1	0	0	109.1	K311 V315	K311-E313 PolarHBondContact O-N 3.36Å; E313-V315 PolarHBondContact O-N 3.18Å
314	P	29.7	Very low	29	Very low	116 Å²	116	153.9 Å²	153.9	75%	0.753	82%	0.815	S	S	*	*			trans	-74.4	96.7	176.3	30.8	-32.8	0	0	0	109.1	Q316	P314-Q316 PolarHBondContact O-N 3.09Å
315	V	29.4	Very low	28.9	Very low	134 Å²	134	150.4 Å²	150.4	81%	0.812	82%	0.816	S	S	*	*			trans	-64.6	106.5	166.2	178.9	0	0	0	0	107.6	E313 L317	E313-V315 PolarHBondContact O-N 3.18Å; V315-L317 PolarHBondContact O-N 3.06Å
316	Q	25.3	Very low	28.8	Very low	152 Å²	152	145.7 Å²	145.7	71%	0.71	81%	0.813	S	S	*	*			trans	-67.6	118.7	174.3	-67.6	178.5	-111.8	0	0	109	P314 D318	P314-Q316 PolarHBondContact O-N 3.09Å; Q316-D318 PolarHBondContact O-N 3.1Å
317	L	25.5	Very low	28.7	Very low	161 Å²	161	142.9 Å²	142.9	84%	0.843	81%	0.81	S	S	*	*			trans	-80.3	92.6	162.3	-100.9	161.6	0	0	0	107.6	V315 F319	V315-L317 PolarHBondContact O-N 3.06Å; L317-F319 PolarHBondContact O-N 3.31Å
318	D	25.8	Very low	28.5	Very low	129 Å²	129	142.9 Å²	142.9	69%	0.69	81%	0.806	S	S	*	*			trans	-64.5	123.7	174.8	-78.4	-30.5	0	0	0	110.4	Q316	Q316-D318 PolarHBondContact O-N 3.1Å
319	F	23.7	Very low	28.6	Very low	189 Å²	189	141.7 Å²	141.7	83%	0.829	81%	0.805	S	S	*	*			trans	-73.3	132.5	171	-85.2	-110.8	0	0	0	109.9	L317	L317-F319 PolarHBondContact O-N 3.31Å
320	V	31	Very low	28.5	Very low	135 Å²	135	139.1 Å²	139.1	82%	0.818	80%	0.795	S	S	*	*			trans	-122.2	98.6	164.7	-178.2	0	0	0	0	108.4
321	D	24.9	Very low	28.5	Very low	151 Å²	151	137.5 Å²	137.5	81%	0.807	80%	0.796	S	S	*	*			trans	-66.2	131.3	168.9	-81.9	-50.6	0	0	0	110.4
322	G	29.8	Very low	28.4	Very low	76 Å²	76	138.4 Å²	138.4	78%	0.784	80%	0.803	S	S	*	*			trans	-149.6	76.2	-174.8	0	0	0	0	0	112.3
323	T	26.9	Very low	27.8	Very low	127 Å²	127	138.8 Å²	138.8	78%	0.779	80%	0.803	S	S	*	*			trans	-72.7	158.7	-172.9	54.3	0	0	0	0	115.1
324	S	31	Very low	27.5	Very low	118 Å²	118	135.8 Å²	135.8	83%	0.825	80%	0.802	S	S	*	*			trans	92	151.5	159.3	82	0	0	0	0	118.2
325	A	31.6	Very low	27.2	Very low	98 Å²	98	135.3 Å²	135.3	81%	0.81	80%	0.796	S	S	*	*			cis	-170.2	133.8	-29.9	0	0	0	0	0	110.5
326	G	29	Very low	26.8	Very low	81 Å²	81	138.2 Å²	138.2	84%	0.835	80%	0.798	S	S	*	*			trans	78.3	163.4	175.9	0	0	0	0	0	114.7
327	E	29.2	Very low	26.6	Very low	182 Å²	182	136.3 Å²	136.3	85%	0.85	80%	0.797	S	S	*	*			cis	-152.3	119.2	-3.2	-169.8	167.3	175	0	0	111.4
328	Q	26.3	Very low	26.5	Very low	162 Å²	162	135.1 Å²	135.1	76%	0.757	80%	0.797	S	S	*	*			trans	36.3	108.2	148.3	-167.7	173.4	-5.8	0	0	121.3
329	A	29.8	Very low	26.5	Very low	103 Å²	103	133 Å²	133	85%	0.851	80%	0.797	S	S	*	*			trans	-156.9	123.8	147.3	0	0	0	0	0	112.3
330	D	27	Very low	26.5	Very low	134 Å²	134	127.2 Å²	127.2	72%	0.717	79%	0.79	S	S	*	*			trans	-69.4	143.8	-164.3	-45.4	-52.8	0	0	0	116.5
331	N	29	Very low	26.2	Very low	165 Å²	165	130.6 Å²	130.6	88%	0.882	79%	0.79	S	S	*	*			trans	-154.3	124.4	142.1	-100.6	-48.3	0	0	0	108.4
332	E	26.2	Very low	26.2	Very low	201 Å²	201	127.9 Å²	127.9	94%	0.939	79%	0.789	S	S	*	*			trans	-77.1	136.3	-169.3	-70.2	-173.2	116.2	0	0	113.5
333	V	23	Very low	26.1	Very low	125 Å²	125	130.3 Å²	130.3	76%	0.758	78%	0.784	S	S	*	*			trans	-106.9	113.7	173.1	172.5	0	0	0	0	109	V335	V333-V335 HydrophobicContact CG1-CB 4.3Å; V333-V335 HydrophobicContact CG1-CG2 3.62Å; V333-V335 PolarHBondContact O-N 2.85Å
334	S	22.8	Very low	26	Very low	112 Å²	112	133.7 Å²	133.7	78%	0.783	79%	0.79	S	S	*	*			trans	-94.9	67.8	174.6	63.9	0	0	0	0	111.9
335	V	23.1	Very low	25.9	Very low	106 Å²	106	136.9 Å²	136.9	64%	0.642	79%	0.792	S	S	*	*			trans	-88.9	117.5	166	174.1	0	0	0	0	108.5	V333 V337	V333-V335 HydrophobicContact CG1-CB 4.3Å; V333-V335 HydrophobicContact CG1-CG2 3.62Å; V333-V335 PolarHBondContact O-N 2.85Å; V335-V337 HydrophobicContact CG1-CG2 3.75Å; V335-V337 PolarHBondContact O-N 3.3Å
336	F	22	Very low	25.6	Very low	195 Å²	195	136 Å²	136	86%	0.855	79%	0.792	S	S	*	*			trans	-82.9	103.6	169.7	-84	-86.3	0	0	0	110.2
337	V	21.8	Very low	25.6	Very low	113 Å²	113	137.7 Å²	137.7	69%	0.685	79%	0.792	S	S	*	*			trans	-100.3	114.3	165.3	-170.2	0	0	0	0	109.1	V335 A339	V335-V337 HydrophobicContact CG1-CG2 3.75Å; V335-V337 PolarHBondContact O-N 3.3Å; V337-A339 HydrophobicContact CG1-CB 4.21Å
338	T	23.3	Very low	25.5	Very low	136 Å²	136	133.5 Å²	133.5	83%	0.834	79%	0.788	S	S	*	*			trans	-123.3	86.5	160.3	47.4	0	0	0	0	106.4
339	A	24.3	Very low	25.6	Very low	85 Å²	85	130.7 Å²	130.7	70%	0.702	79%	0.793	S	S	*	*				71	91.3	51.9	0	0	0	0	0	113.3	V337	V337-A339 HydrophobicContact CG1-CB 4.21Å
340	G	24.9	Very low	25.5	Very low	66 Å²	66	130.4 Å²	130.4	68%	0.68	79%	0.79	S	S	*	*			trans	124.7	145.8	162.4	0	0	0	0	0	114.8
341	Y	25.1	Very low	25.4	Very low	207 Å²	207	132.6 Å²	132.6	81%	0.812	79%	0.794	S	S	*	*			cis	-164	133.3	-9	-105.6	-71.7	0	0	0	109.4
342	A	25.1	Very low	25.6	Very low	94 Å²	94	130.3 Å²	130.3	78%	0.777	79%	0.788	S	S	*	*			trans	-149.9	45.3	169.2	0	0	0	0	0	112	E344	A342-E344 PolarHBondContact O-N 3.48Å; A342-E344 VanDerWaalsContact O-N 3.07Å
343	N	27.4	Very low	25.7	Very low	127 Å²	127	127.5 Å²	127.5	68%	0.679	78%	0.778	S	S	*	*			trans	-76.8	93.4	-178	-63.1	20.4	0	0	0	111	Q345	N343-Q345 PolarHBondContact O-N 2.98Å
344	E	24.7	Very low	26.1	Very low	197 Å²	197	130.1 Å²	130.1	92%	0.921	79%	0.787	S	S	*	*			trans	-75.8	65	168.1	-71.2	-139.1	132.3	0	0	112.3	A342	A342-E344 PolarHBondContact O-N 3.48Å; A342-E344 VanDerWaalsContact O-N 3.07Å
345	Q	27.8	Very low	26.5	Very low	186 Å²	186	128.3 Å²	128.3	87%	0.869	79%	0.786	S	S	*	*			trans	-140.1	111	162.3	-73.1	-162.8	3.9	0	0	112.6	N343	N343-Q345 PolarHBondContact O-N 2.98Å
346	G	27	Very low	27	Very low	78 Å²	78	131.7 Å²	131.7	80%	0.804	80%	0.795	S	S	*	*			trans	88.5	120.7	139	0	0	0	0	0	119.7
347	S	27.5	Very low	27.6	Very low	118 Å²	118	130 Å²	130	83%	0.825	79%	0.794	S	S	*	*			trans	65	79.1	138.4	-170.3	0	0	0	0	120.3
348	A	27.2	Very low	28.1	Very low	93 Å²	93	132.3 Å²	132.3	77%	0.769	80%	0.795	S	S	*	*				55.1	133.1	116.1	0	0	0	0	0	122.9
349	A	27.8	Very low	28.7	Very low	104 Å²	104	133.7 Å²	133.7	86%	0.86	80%	0.797	S	S	*	*			trans	73	143.5	152.9	0	0	0	0	0	118.9
350	A	28.7	Very low	29.2	Very low	96 Å²	96	133.2 Å²	133.2	79%	0.793	79%	0.793	S	S	*	*			cis	-162.5	159.3	-16.1	0	0	0	0	0	112.2
351	F	24.1	Very low	29.7	Very low	181 Å²	181	137.6 Å²	137.6	79%	0.794	80%	0.796	S	S	*	*			trans	-57.7	156	162.9	-74.6	-87.3	0	0	0	112.1	L353	F351-L353 HydrophobicContact CD1-CG 4.5Å
352	P	34.3	Very low	30.2	Very low	117 Å²	117	135.3 Å²	135.3	76%	0.76	79%	0.79	S	S	*	*				-133.2	148.5	59.1	13.5	12.8	0	0	0	116
353	L	28.1	Very low	30.7	Very low	141 Å²	141	136.6 Å²	136.6	74%	0.738	78%	0.78	S	S	*	*				84.4	158.7	63.9	-65.5	173.1	0	0	0	115.6	F351	F351-L353 HydrophobicContact CD1-CG 4.5Å
354	L	31	Very low	31	Very low	181 Å²	181	137.8 Å²	137.8	95%	0.948	78%	0.783	S	S	*	*			trans	84.7	130.4	178.1	-54.2	166.4	0	0	0	115.7
355	G	32.2	Very low	31.4	Very low	73 Å²	73	135.5 Å²	135.5	75%	0.753	78%	0.777	S	S	*	*			cis	-166	163	0	0	0	0	0	0	115.1
356	E	33.1	Very low	31.5	Very low	178 Å²	178	130.7 Å²	130.7	83%	0.832	77%	0.77	S	S	*	*			trans	-64	162.7	-169.8	-51.6	169.3	109.3	0	0	116.3
357	D	34.1	Very low	31.7	Very low	158 Å²	158	132 Å²	132	85%	0.845	77%	0.766	S	S	*	*				-159	173.2	107.8	-141.4	-26.3	0	0	0	112.9
358	K	32.7	Very low	31.9	Very low	163 Å²	163	133.9 Å²	133.9	71%	0.709	77%	0.765	S	S	*	*			trans	-142.1	-172.2	-172.9	-69	179.4	176.1	168.8	0	113.2
359	L	35.2	Very low	32.1	Very low	164 Å²	164	133.9 Å²	133.9	86%	0.859	76%	0.76	S	S	*	*			trans	72.7	151.4	172.8	-79	66.8	0	0	0	115.2
360	A	35.8	Very low	32.1	Very low	76 Å²	76	136.5 Å²	136.5	63%	0.628	75%	0.754	S	S	*	*			cis	-155.7	-162.5	-16	0	0	0	0	0	107
361	Q	35.6	Very low	32.3	Very low	158 Å²	158	140 Å²	140	74%	0.738	75%	0.754	S	S	*	*			cis	-160.3	142	6	-159.4	67.1	-94.4	0	0	105.3
362	K	35.2	Very low	32.8	Very low	158 Å²	158	137 Å²	137	69%	0.687	76%	0.755	S	S	*	*				40.3	140	83.9	-103.4	-173.5	171.5	-158.4	0	115.4
363	Q	35.4	Very low	32.8	Very low	122 Å²	122	134.6 Å²	134.6	57%	0.57	75%	0.752	S	S	*	*			cis	-166.9	176.2	11.2	-159.2	175	-49.6	0	0	111
364	M	33.4	Very low	33.1	Very low	152 Å²	152	135.9 Å²	135.9	75%	0.749	76%	0.758	S	S	*	*			trans	76.4	155.8	158.5	-62	176.1	-178	0	0	119.4
365	D	32.1	Very low	33.4	Very low	148 Å²	148	133.7 Å²	133.7	79%	0.791	75%	0.754	S	S	*	*			cis	-164.4	171.9	-42.8	-108	-50	0	0	0	110.3
366	A	30.9	Very low	33.4	Very low	86 Å²	86	137.9 Å²	137.9	71%	0.711	75%	0.754	S	S	*	*			trans	-75.3	162.7	-162.7	0	0	0	0	0	119.1
367	S	31.5	Very low	33.5	Very low	104 Å²	104	136.6 Å²	136.6	73%	0.727	75%	0.753	S	S	*	*				134.6	131	128.5	-63.9	0	0	0	0	119.6
368	I	31.6	Very low	33.6	Very low	159 Å²	159	137.8 Å²	137.8	82%	0.815	75%	0.754	S	S	*	*			trans	79.3	103.6	136.9	-64.9	167.4	0	0	0	121.7
369	S	30.3	Very low	33.3	Very low	93 Å²	93	140 Å²	140	65%	0.65	76%	0.758	S	S	*	*				71.4	131.4	126.6	-132	0	0	0	0	126.7
370	E	28.4	Very low	33.3	Very low	159 Å²	159	140.1 Å²	140.1	74%	0.743	76%	0.758	S	S	*	*			trans	84.5	151.3	132.9	-98	170.3	-132.5	0	0	125.1
371	Q	33.7	Very low	32.8	Very low	170 Å²	170	142.6 Å²	142.6	79%	0.794	76%	0.76	S	S	*	*			trans	73.8	141.8	168	-65.9	166.5	40.1	0	0	118
372	S	34.3	Very low	32.5	Very low	116 Å²	116	143.5 Å²	143.5	81%	0.811	77%	0.769	S	S	*	*			cis	-170.4	152.7	-8.9	53.4	0	0	0	0	113.4
373	G	34.1	Very low	31.9	Very low	67 Å²	67	147.6 Å²	147.6	69%	0.691	78%	0.78	S	S	*	*			trans	107.4	120.7	162.2	0	0	0	0	0	115.5
374	I	33.5	Very low	31.7	Very low	169 Å²	169	146.8 Å²	146.8	87%	0.867	79%	0.788	S	S	*	*			cis	79.1	119.4	43.3	-59.4	177.5	0	0	0	110.9
375	P	37.1	Very low	31.4	Very low	134 Å²	134	145 Å²	145	87%	0.87	79%	0.791	S	S	*	*				-132.3	178.3	59	40.7	-25.3	0	0	0	118.9
376	E	32.5	Very low	31.3	Very low	161 Å²	161	141.9 Å²	141.9	75%	0.752	79%	0.785	S	S	*	*			trans	-115.6	155.7	-164.1	167	-177.9	-148.1	0	0	111.7
377	N	35.8	Very low	31.2	Very low	151 Å²	151	144.7 Å²	144.7	81%	0.807	79%	0.794	S	S	*	*			trans	-165.8	142.4	151.4	-107.7	-48.8	0	0	0	114.5
378	Q	36	Very low	31	Very low	184 Å²	184	143.3 Å²	143.3	86%	0.86	80%	0.796	S	S	*	*			trans	64.7	85.9	164.5	-58.3	-172.4	19.7	0	0	119.5
379	R	27.3	Very low	30.8	Very low	209 Å²	209	140.6 Å²	140.6	79%	0.789	80%	0.797	S	S	*	*			trans	-87.9	151.6	144.2	-80.6	179.8	162.8	118.3	-9.6	110.4
380	I	33.6	Very low	30.5	Very low	167 Å²	167	142.1 Å²	142.1	86%	0.856	81%	0.808	S	S	*	*			trans	-138.4	120.2	146.1	-60	-176.2	0	0	0	109.1
381	D	25.7	Very low	30.5	Very low	127 Å²	127	138.7 Å²	138.7	68%	0.679	81%	0.807	S	S	*	*			trans	-96.3	144.9	166.1	-84.1	-74.3	0	0	0	110.1
382	L	30.2	Very low	30.1	Very low	178 Å²	178	139.4 Å²	139.4	93%	0.932	81%	0.81	S	S	*	*			trans	-148.9	134.1	147.5	-83.9	-170.2	0	0	0	111.9
383	R	22.8	Very low	29.7	Very low	244 Å²	244	139.5 Å²	139.5	92%	0.921	81%	0.806	S	S	*	*			trans	-113	137.2	174.4	-76.1	174.7	161	-167.3	-3.8	111.1
384	S	30.9	Very low	29.4	Very low	105 Å²	105	143.3 Å²	143.3	73%	0.734	81%	0.806	S	S	*	*			trans	-174.9	119.8	156.1	47.5	0	0	0	0	108.4
385	S	27.9	Very low	29	Very low	115 Å²	115	143 Å²	143	80%	0.804	80%	0.798	S	S	*	*				61.4	130	71.5	80.5	0	0	0	0	113.1
386	A	29.9	Very low	28.5	Very low	82 Å²	82	148.1 Å²	148.1	68%	0.678	80%	0.8	S	S	*	*			cis	-163.8	170.3	5	0	0	0	0	0	112.7
387	T	27.2	Very low	28.1	Very low	144 Å²	144	146.9 Å²	146.9	88%	0.883	80%	0.804	S	S	*	*			trans	29.8	131.5	145.8	56.5	0	0	0	0	122.2
388	G	27.8	Very low	27.8	Very low	76 Å²	76	144.2 Å²	144.2	78%	0.784	80%	0.795	S	S	*	*			trans	147.7	109.3	135.3	0	0	0	0	0	120.3
389	A	27.9	Very low	27.5	Very low	101 Å²	101	142.2 Å²	142.2	84%	0.835	79%	0.785	S	S	*	*			trans	51.1	103.6	139.4	0	0	0	0	0	123.3
390	S	22.8	Very low	27.6	Very low	125 Å²	125	136.8 Å²	136.8	87%	0.874	77%	0.772	S	S	*	*				54.8	99.9	113.7	-178	0	0	0	0	122.7
391	A	29.4	Very low	27.3	Very low	87 Å²	87	137.7 Å²	137.7	72%	0.719	77%	0.77	S	S	*	*			trans	-161	133.1	132.3	0	0	0	0	0	107.5
392	Q	24.9	Very low	27.6	Very low	185 Å²	185	136.5 Å²	136.5	86%	0.864	77%	0.772	S	S	*	*				47.4	122.4	76.7	-72.4	-170.5	-22.5	0	0	112.7
393	T	27.3	Very low	27.7	Very low	118 Å²	118	136.8 Å²	136.8	72%	0.724	77%	0.765	S	S	*	*			cis	-150.5	149	32.2	46	0	0	0	0	116.4
394	E	27.7	Very low	28.1	Very low	148 Å²	148	133.8 Å²	133.8	69%	0.692	76%	0.761	S	S	*	*			trans	61.3	122.1	144.9	-65.6	-164.1	120	0	0	124.7
395	K	25.1	Very low	28	Very low	163 Å²	163	134.1 Å²	134.1	71%	0.709	76%	0.761	S	S	*	*			trans	48.6	137.1	134.6	-58	167.4	-179.6	146.9	0	119.6
396	W	26.3	Very low	28	Very low	240 Å²	240	135.4 Å²	135.4	91%	0.909	76%	0.757	S	S	*	*			cis	-136.8	157.8	29.8	-77.5	63	0	0	0	113.4
397	V	24.3	Very low	28.1	Very low	136 Å²	136	134.2 Å²	134.2	82%	0.824	74%	0.744	S	S	*	*			trans	-154.4	143.3	177	-173.6	0	0	0	0	104.3
398	P	29.2	Very low	28.5	Very low	95 Å²	95	129.3 Å²	129.3	62%	0.617	72%	0.716	S	S	*	*			cis	-147.8	179.6	46.8	45.3	-26	0	0	0	119.2
399	Q	28.4	Very low	29.2	Very low	141 Å²	141	131.9 Å²	131.9	66%	0.659	71%	0.705	S	S	*	*			trans	64.6	153.1	158.2	-74.1	151.6	-71.1	0	0	118.2
400	D	29.9	Very low	29.6	Very low	95 Å²	95	127.8 Å²	127.8	51%	0.508	67%	0.674	S	S	.	*			cis	-124	170.1	-1.4	-174.9	44.7	0	0	0	113.7	D253	D253-D400 WeakPolarHBondContact OD1-CB 3.11Å
401	F	28	Very low	30.1	Very low	186 Å²	186	129.4 Å²	129.4	82%	0.816	66%	0.661	S	S	*	*			trans	-153.4	56.1	-162.4	-126.4	-72.7	0	0	0	119.5
402	S	31.4	Very low	30.4	Very low	103 Å²	103	128.3 Å²	128.3	72%	0.72	65%	0.646	S	S	*	*			trans	-149.7	115.4	154.8	62.9	0	0	0	0	112.5
403	K	33.4	Very low	30.8	Very low	183 Å²	183	122 Å²	122	80%	0.796	62%	0.62	S	S	*	*				82	109.3	64	-76.4	-169.2	175.1	-177.2	0	115.4
404	H	29.7	Very low	31.3	Very low	182 Å²	182	119.2 Å²	119.2	84%	0.843	60%	0.603	S	S	*	*			trans	-60.5	172.4	171.5	-36.8	-91.4	0	0	0	114.2
405	P	29.5	Very low	31.7	Very low	112 Å²	112	115.5 Å²	115.5	73%	0.727	59%	0.593	S	S	*	*			cis	-131.8	-173	-45.3	35.3	-17.3	0	0	0	112.7
406	I	27.3	Very low	32.5	Very low	141 Å²	141	112.2 Å²	112.2	72%	0.723	58%	0.581	S	S	*	*			trans	-1.3	121.7	162.9	-54.3	170.4	0	0	0	117.4
407	S	32.4	Very low	33.3	Very low	58 Å²	58	105.1 Å²	105.1	41%	0.406	56%	0.559	S	S	.	*			trans	-120.1	92.9	161.8	151.9	0	0	0	0	108.6	K434	S407-K434 WeakPolarHBondContact OG-CE 3.24Å; S407-K434 PolarHBondContact OG-NZ 3.2Å
408	S	36.7	Very low	33.9	Very low	40 Å²	40	103.9 Å²	103.9	28%	0.28	54%	0.54	S	S	.	.			trans	-73.6	130.2	-175.7	28.8	0	0	0	0	113.2	Q435	S408-Q435 PolarHBondContact O-N 3.45Å; S408-Q435 PolarHBondContact OG-OE1 2.92Å
409	F	41.3	Very low	34.4	Very low	130 Å²	130	103.5 Å²	103.5	57%	0.57	54%	0.536	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.1	161.3	-74.4	-87	0	0	0	109.3	V432 Y433 K434	F409-V432 HydrophobicContact CB-CG1 4.48Å; F409-V432 HydrophobicContact CD1-CG1 4.02Å; F409-Y433 CarbonylContact C-O 3.56Å; F409-Y433 WeakPolarHBondContact CA-O 3.16Å; F409-K434 HydrophobicContact CD1-CB 4.14Å; F409-K434 HydrophobicContact CE1-CB 4.03Å
410	G	36.8	Very low	34.9	Very low	16 Å²	16	101.6 Å²	101.6	17%	0.165	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	151.2	169.4	0	0	0	0	0	110.8	V432 Y433	G410-V432 WeakPolarHBondContact O-CA 3.39Å; G410-Y433 PolarHBondContact N-O 3.3Å; G410-Y433 WeakPolarHBondContact O-CD1 3.4Å; G410-Y433 PolarHBondContact O-N 3Å
411	Y	33.2	Very low	36.4	Very low	158 Å²	158	100.1 Å²	100.1	62%	0.62	54%	0.541	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	147	175	-65.7	-101.1	0	0	0	108.5	F431 V432	Y411-F431 CarbonylContact C-O 3.42Å; Y411-F431 WeakPolarHBondContact CA-O 3.46Å; Y411-V432 HydrophobicContact CD1-CB 4.44Å; Y411-V432 HydrophobicContact CD1-CG1 4.25Å; Y411-V432 HydrophobicContact CD1-CG2 3.71Å; Y411-V432 HydrophobicContact CE1-CB 4.31Å; Y411-V432 HydrophobicContact CE1-CG1 3.87Å; Y411-V432 HydrophobicContact CE1-CG2 3.53Å; Y411-V432 HydrophobicContact CE2-CG1 4.47Å
412	T	36.3	Very low	36.9	Very low	64 Å²	64	99.8 Å²	99.8	39%	0.393	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	125.8	170.2	-178.2	0	0	0	0	110.9	F431 Y433	T412-F431 HydrophobicContact CG2-CB 3.92Å; T412-F431 PolarHBondContact N-O 3.28Å; T412-F431 PolarHBondContact O-N 3.15Å; T412-Y433 HydrophobicContact CG2-CD1 4.29Å; T412-Y433 HydrophobicContact CG2-CE1 4.1Å
413	T	33.1	Very low	36.8	Very low	53 Å²	53	99.2 Å²	99.2	33%	0.325	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	141	176.2	-49.4	0	0	0	0	109.5	T428 H429 D430	T413-T428 HydrophobicContact CG2-CG2 4.41Å; T413-H429 CarbonylContact C-O 3.58Å; T413-H429 WeakPolarHBondContact CA-O 3.35Å; T413-D430 VanDerWaalsContact CB-OD1 3.24Å; T413-D430 WeakPolarHBondContact CB-OD1 3.44Å; T413-D430 VanDerWaalsContact CG2-OD1 3.24Å; T413-D430 WeakPolarHBondContact CG2-OD1 3.36Å; T413-D430 PolarHBondContact OG1-OD1 3.33Å
414	T	38.2	Very low	36.7	Very low	60 Å²	60	95 Å²	95	37%	0.368	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	125.7	173	55.4	0	0	0	0	111.1	T428 H429	T414-T428 CarbonylContact O-C 3.58Å; T414-T428 WeakPolarHBondContact O-CA 3.43Å; T414-H429 PolarHBondContact N-O 3.04Å; T414-H429 PolarHBondContact O-N 3.25Å; T414-H429 PolarHBondContact OG1-O 3.13Å
415	S	35.3	Very low	37	Very low	69 Å²	69	89.1 Å²	89.1	48%	0.483	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122.2	-177.2	-30.8	0	0	0	0	110.4	T428	S415-T428 WeakPolarHBondContact OG-CG2 3.46Å
416	E	41.6	Very low	37.4	Very low	95 Å²	95	87.6 Å²	87.6	44%	0.444	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	149.5	177.4	-72.8	-170.6	141.3	0	0	111.5	Y418 F426 V427 H429	E416-Y418 HydrophobicContact CB-CD2 4.21Å; E416-Y418 HydrophobicContact CB-CE2 3.58Å; E416-Y418 WeakPolarHBondContact OE2-CE2 3.38Å; E416-Y418 PolarHBondContact OE2-OH 2.93Å; E416-F426 CarbonylContact O-C 3.59Å; E416-F426 WeakPolarHBondContact O-CA 3.21Å; E416-V427 PolarHBondContact N-O 3.31Å; E416-V427 PolarHBondContact O-N 3.01Å; E416-H429 IonicContact OE2-CE1 2.71Å
417	M	42.9	Very low	38	Very low	91 Å²	91	83.5 Å²	83.5	45%	0.448	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	124.4	177.4	-157.5	171.9	78	0	0	111.8	E424 T425 F426	M417-E424 VanDerWaalsContact CE-CD 3.44Å; M417-E424 HydrophobicContact CE-CG 4.22Å; M417-E424 WeakPolarHBondContact CE-OE1 3.11Å; M417-E424 HydrophobicContact CG-CB 4.47Å; M417-E424 HydrophobicContact SD-CB 4.32Å; M417-E424 HydrophobicContact SD-CG 4.44Å; M417-T425 WeakPolarHBondContact CA-O 3.27Å; M417-F426 HydrophobicContact CB-CD1 3.79Å; M417-F426 HydrophobicContact CB-CE1 3.61Å; M417-F426 HydrophobicContact CG-CD1 3.72Å; M417-F426 HydrophobicContact CG-CE1 3.46Å; M417-F426 VanDerWaalsContact CG-CE1 3.46Å; M417-F426 HydrophobicContact CG-CZ 4.17Å; M417-F426 HydrophobicContact SD-CD1 4.39Å; M417-F426 HydrophobicContact SD-CE1 3.56Å; M417-F426 VanDerWaalsContact SD-CE1 3.56Å; M417-F426 HydrophobicContact SD-CZ 3.75Å
418	Y	37	Very low	38.1	Very low	110 Å²	110	83.2 Å²	83.2	43%	0.431	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	105.3	-178.8	-74	-93.7	0	0	0	109.8	E416 T425 V427	E416-Y418 HydrophobicContact CB-CD2 4.21Å; E416-Y418 HydrophobicContact CB-CE2 3.58Å; E416-Y418 WeakPolarHBondContact OE2-CE2 3.38Å; E416-Y418 PolarHBondContact OE2-OH 2.93Å; Y418-T425 PolarHBondContact N-O 2.85Å; Y418-T425 PolarHBondContact O-N 2.77Å; Y418-V427 HydrophobicContact CD2-CB 3.96Å; Y418-V427 HydrophobicContact CD2-CG2 3.66Å; Y418-V427 HydrophobicContact CE2-CB 3.94Å; Y418-V427 HydrophobicContact CE2-CG2 4.05Å; Y418-V427 HydrophobicContact CG-CG2 4.43Å
419	T	40	Very low	38.4	Very low	87 Å²	87	84.7 Å²	84.7	53%	0.534	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	113.3	174.9	-46.3	0	0	0	0	110.2	G421 E424	T419-G421 WeakPolarHBondContact CG2-O 3.16Å; T419-E424 HydrophobicContact CG2-CG 4.03Å
420	V	38.3	Very low	38.3	Very low	101 Å²	101	83.6 Å²	83.6	61%	0.612	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	87.9	-177.4	-175.6	0	0	0	0	108.8	V423	V420-V423 PolarHBondContact N-O 2.82Å; V420-V423 PolarHBondContact O-N 2.86Å
421	G	62.3	Low	38.4	Very low	64 Å²	64	88 Å²	88	66%	0.66	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	-131.6	-169.7	0	0	0	0	0	110.6	T419 V423	T419-G421 WeakPolarHBondContact CG2-O 3.16Å; G421-V423 PolarHBondContact O-N 2.87Å
422	D	38.6	Very low	38.7	Very low	178 Å²	178	84.6 Å²	84.6	95%	0.952	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	6.5	176.8	-54.7	-50.6	0	0	0	113.4
423	V	28.9	Very low	38.8	Very low	91 Å²	91	87.2 Å²	87.2	55%	0.552	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.7	-176.6	-176.5	0	0	0	0	110.9	V420 G421	V420-V423 PolarHBondContact N-O 2.82Å; V420-V423 PolarHBondContact O-N 2.86Å; G421-V423 PolarHBondContact O-N 2.87Å
424	E	31.4	Very low	39.1	Very low	96 Å²	96	90.5 Å²	90.5	45%	0.449	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.9	167	-65.1	-174.9	154	0	0	110.3	M417 T419 R927	M417-E424 VanDerWaalsContact CE-CD 3.44Å; M417-E424 HydrophobicContact CE-CG 4.22Å; M417-E424 WeakPolarHBondContact CE-OE1 3.11Å; M417-E424 HydrophobicContact CG-CB 4.47Å; M417-E424 HydrophobicContact SD-CB 4.32Å; M417-E424 HydrophobicContact SD-CG 4.44Å; T419-E424 HydrophobicContact CG2-CG 4.03Å; E424-R927 VanDerWaalsContact C-NH2 3.33Å; E424-R927 PolarHBondContact O-NH1 2.58Å; E424-R927 PolarHBondContact O-NH2 3.13Å
425	T	36.4	Very low	39.2	Very low	57 Å²	57	92.5 Å²	92.5	35%	0.35	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	146.4	174.2	-50.6	0	0	0	0	108.5	M417 Y418 V427 R927	M417-T425 WeakPolarHBondContact CA-O 3.27Å; Y418-T425 PolarHBondContact N-O 2.85Å; Y418-T425 PolarHBondContact O-N 2.77Å; T425-V427 HydrophobicContact CG2-CG2 4.5Å; T425-R927 VanDerWaalsContact C-NH2 3.33Å
426	F	37.1	Very low	39.6	Very low	80 Å²	80	93.8 Å²	93.8	35%	0.351	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.4	165.6	-75.4	-59.5	0	0	0	108.3	E416 M417 R927	E416-F426 CarbonylContact O-C 3.59Å; E416-F426 WeakPolarHBondContact O-CA 3.21Å; M417-F426 HydrophobicContact CB-CD1 3.79Å; M417-F426 HydrophobicContact CB-CE1 3.61Å; M417-F426 HydrophobicContact CG-CD1 3.72Å; M417-F426 HydrophobicContact CG-CE1 3.46Å; M417-F426 VanDerWaalsContact CG-CE1 3.46Å; M417-F426 HydrophobicContact CG-CZ 4.17Å; M417-F426 HydrophobicContact SD-CD1 4.39Å; M417-F426 HydrophobicContact SD-CE1 3.56Å; M417-F426 VanDerWaalsContact SD-CE1 3.56Å; M417-F426 HydrophobicContact SD-CZ 3.75Å; F426-R927 HydrophobicContact CD2-CB 3.97Å; F426-R927 HydrophobicContact CD2-CG 3.93Å; F426-R927 HydrophobicContact CE2-CG 4.46Å; F426-R927 VanDerWaalsContact CE2-CZ 3.47Å; F426-R927 VanDerWaalsContact CE2-NH2 3.28Å
427	V	40.2	Very low	39.5	Very low	55 Å²	55	95 Å²	95	33%	0.333	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.6	174	-179.1	0	0	0	0	108.1	E416 Y418 T425	E416-V427 PolarHBondContact N-O 3.31Å; E416-V427 PolarHBondContact O-N 3.01Å; Y418-V427 HydrophobicContact CD2-CB 3.96Å; Y418-V427 HydrophobicContact CD2-CG2 3.66Å; Y418-V427 HydrophobicContact CE2-CB 3.94Å; Y418-V427 HydrophobicContact CE2-CG2 4.05Å; Y418-V427 HydrophobicContact CG-CG2 4.43Å; T425-V427 HydrophobicContact CG2-CG2 4.5Å
428	T	34.8	Very low	39.3	Very low	52 Å²	52	100.7 Å²	100.7	32%	0.319	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.7	178.7	35.6	0	0	0	0	110.7	T413 T414 S415 E926	T413-T428 HydrophobicContact CG2-CG2 4.41Å; T414-T428 CarbonylContact O-C 3.58Å; T414-T428 WeakPolarHBondContact O-CA 3.43Å; S415-T428 WeakPolarHBondContact OG-CG2 3.46Å; T428-E926 VanDerWaalsContact CG2-OE1 3.3Å; T428-E926 WeakPolarHBondContact CG2-OE1 3.4Å
429	H	42.3	Very low	39.3	Very low	72 Å²	72	104.8 Å²	104.8	33%	0.333	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.8	117.1	177.2	-54.3	95.3	0	0	0	109.4	T413 T414 E416 F431	T413-H429 CarbonylContact C-O 3.58Å; T413-H429 WeakPolarHBondContact CA-O 3.35Å; T414-H429 PolarHBondContact N-O 3.04Å; T414-H429 PolarHBondContact O-N 3.25Å; T414-H429 PolarHBondContact OG1-O 3.13Å; E416-H429 IonicContact OE2-CE1 2.71Å; H429-F431 HydrophobicContact CB-CD2 4.48Å; H429-F431 HydrophobicContact CB-CE2 3.68Å; H429-F431 HydrophobicContact CB-CZ 3.94Å
430	D	39.9	Very low	39	Very low	106 Å²	106	104.3 Å²	104.3	57%	0.567	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.4	128.5	172.8	-69.8	-49.7	0	0	0	111.1	T413	T413-D430 VanDerWaalsContact CB-OD1 3.24Å; T413-D430 WeakPolarHBondContact CB-OD1 3.44Å; T413-D430 VanDerWaalsContact CG2-OD1 3.24Å; T413-D430 WeakPolarHBondContact CG2-OD1 3.36Å; T413-D430 PolarHBondContact OG1-OD1 3.33Å
431	F	37.9	Very low	38.4	Very low	108 Å²	108	104.4 Å²	104.4	47%	0.474	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.5	122.9	176.9	-60.7	-83.5	0	0	0	110.8	Y411 T412 H429	Y411-F431 CarbonylContact C-O 3.42Å; Y411-F431 WeakPolarHBondContact CA-O 3.46Å; T412-F431 HydrophobicContact CG2-CB 3.92Å; T412-F431 PolarHBondContact N-O 3.28Å; T412-F431 PolarHBondContact O-N 3.15Å; H429-F431 HydrophobicContact CB-CD2 4.48Å; H429-F431 HydrophobicContact CB-CE2 3.68Å; H429-F431 HydrophobicContact CB-CZ 3.94Å
432	V	40.9	Very low	36.8	Very low	87 Å²	87	107.3 Å²	107.3	53%	0.527	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.3	122.3	168.7	-165.5	0	0	0	0	108.5	F409 G410 Y411	F409-V432 HydrophobicContact CB-CG1 4.48Å; F409-V432 HydrophobicContact CD1-CG1 4.02Å; G410-V432 WeakPolarHBondContact O-CA 3.39Å; Y411-V432 HydrophobicContact CD1-CB 4.44Å; Y411-V432 HydrophobicContact CD1-CG1 4.25Å; Y411-V432 HydrophobicContact CD1-CG2 3.71Å; Y411-V432 HydrophobicContact CE1-CB 4.31Å; Y411-V432 HydrophobicContact CE1-CG1 3.87Å; Y411-V432 HydrophobicContact CE1-CG2 3.53Å; Y411-V432 HydrophobicContact CE2-CG1 4.47Å
433	Y	37.8	Very low	36.3	Very low	119 Å²	119	105.7 Å²	105.7	47%	0.467	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.8	150.3	179.3	68.5	-87.1	0	0	0	111.5	F409 G410 T412 Q435	F409-Y433 CarbonylContact C-O 3.56Å; F409-Y433 WeakPolarHBondContact CA-O 3.16Å; G410-Y433 PolarHBondContact N-O 3.3Å; G410-Y433 WeakPolarHBondContact O-CD1 3.4Å; G410-Y433 PolarHBondContact O-N 3Å; T412-Y433 HydrophobicContact CG2-CD1 4.29Å; T412-Y433 HydrophobicContact CG2-CE1 4.1Å; Y433-Q435 HydrophobicContact CE2-CG 4.42Å
434	K	39.1	Very low	36.1	Very low	122 Å²	122	111.7 Å²	111.7	53%	0.53	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.4	132.2	175.5	173.9	168	168.7	154.5	0	109.5	S407 F409	S407-K434 WeakPolarHBondContact OG-CE 3.24Å; S407-K434 PolarHBondContact OG-NZ 3.2Å; F409-K434 HydrophobicContact CD1-CB 4.14Å; F409-K434 HydrophobicContact CE1-CB 4.03Å
435	Q	41.4	Very low	36	Very low	102 Å²	102	117.2 Å²	117.2	48%	0.477	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-69.1	139.4	172.9	-67.4	-163.7	-68.8	0	0	110.8	S408 Y433	S408-Q435 PolarHBondContact O-N 3.45Å; S408-Q435 PolarHBondContact OG-OE1 2.92Å; Y433-Q435 HydrophobicContact CE2-CG 4.42Å
436	P	42.1	Very low	35.5	Very low	97 Å²	97	119 Å²	119	63%	0.63	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-80.4	146.7	170	33.4	-33.7	0	0	0	111.2
437	D	40.4	Very low	34.9	Very low	121 Å²	121	122.1 Å²	122.1	65%	0.647	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-63.3	159	175	-61.8	-63	0	0	0	112.6	Q439 S440	D437-Q439 PolarHBondContact O-N 2.66Å; D437-S440 PolarHBondContact O-N 2.77Å
438	E	38.3	Very low	34.2	Very low	209 Å²	209	126.5 Å²	126.5	98%	0.977	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	11.4	-166.2	-59.8	-169.6	123.6	0	0	117.3
439	Q	37.3	Very low	33.8	Very low	196 Å²	196	129.3 Å²	129.3	92%	0.916	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-2	175.7	-60.4	-170.6	0.9	0	0	113.7	D437 S441	D437-Q439 PolarHBondContact O-N 2.66Å; Q439-S441 PolarHBondContact O-N 2.77Å
440	S	34.5	Very low	33.1	Very low	77 Å²	77	134 Å²	134	54%	0.538	69%	0.687	S	S	.	*			trans	-92.4	76.3	-174.1	-173.4	0	0	0	0	114.8	D437	D437-S440 PolarHBondContact O-N 2.77Å
441	S	25.2	Very low	32.5	Very low	103 Å²	103	134.7 Å²	134.7	72%	0.72	69%	0.694	S	S	*	*			trans	-75.4	154.4	156.5	68	0	0	0	0	111.1	Q439	Q439-S441 PolarHBondContact O-N 2.77Å
442	V	28.9	Very low	32.1	Very low	125 Å²	125	135.6 Å²	135.6	76%	0.758	70%	0.704	S	S	*	*			trans	89.9	131.6	-176.7	176.7	0	0	0	0	112.4
443	L	28.2	Very low	31.5	Very low	145 Å²	145	140.1 Å²	140.1	76%	0.759	72%	0.717	S	S	*	*			cis	-153	179.9	-4.5	-125.2	175.2	0	0	0	111.5
444	R	23.4	Very low	31.1	Very low	217 Å²	217	138.4 Å²	138.4	82%	0.819	72%	0.722	S	S	*	*			trans	-95.5	143.2	166.6	-53.9	169.7	175.7	176	-4.7	111.6
445	Y	29.6	Very low	30.8	Very low	212 Å²	212	136.9 Å²	136.9	83%	0.831	73%	0.732	S	S	*	*			trans	-158.5	121.7	146.3	-87.7	-84.9	0	0	0	104.7
446	T	25.9	Very low	30.2	Very low	94 Å²	94	141.5 Å²	141.5	58%	0.577	75%	0.751	S	S	*	*				68.6	108.1	51.6	71.9	0	0	0	0	115.4
447	D	24.4	Very low	29.7	Very low	145 Å²	145	145.3 Å²	145.3	78%	0.775	76%	0.758	S	S	*	*			trans	67.9	145	139.1	-48.2	-25.6	0	0	0	121.9
448	D	26.4	Very low	29.1	Very low	147 Å²	147	145.9 Å²	145.9	79%	0.786	77%	0.766	S	S	*	*			trans	63.9	118.2	150.6	-75.4	-27.2	0	0	0	121.9
449	C	26.2	Very low	28.7	Very low	112 Å²	112	144.6 Å²	144.6	76%	0.757	77%	0.765	S	S	*	*			trans	63.5	114.8	135.5	-65.2	0	0	0	0	119.2
450	L	28.4	Very low	28.2	Very low	171 Å²	171	138.7 Å²	138.7	90%	0.895	75%	0.75	S	S	*	*				-156.3	92.6	119.7	-110.8	165.9	0	0	0	112.3	D452	L450-D452 PolarHBondContact O-N 2.95Å
451	V	26.9	Very low	28	Very low	119 Å²	119	142.5 Å²	142.5	72%	0.721	76%	0.763	S	S	*	*			trans	-67.9	110.5	163.5	175.2	0	0	0	0	108.4
452	D	28.4	Very low	28.2	Very low	127 Å²	127	143.9 Å²	143.9	68%	0.679	76%	0.758	S	S	*	*			trans	-73.7	139.2	165.4	-174	33.2	0	0	0	110.6	L450 S454	L450-D452 PolarHBondContact O-N 2.95Å; D452-S454 VanDerWaalsContact C-N 3.34Å; D452-S454 PolarHBondContact O-N 3.11Å; D452-S454 PolarHBondContact OD2-OG 3.19Å
453	K	29.3	Very low	28.2	Very low	183 Å²	183	143.1 Å²	143.1	80%	0.796	75%	0.754	S	S	*	*	S	Bend	trans	-100.2	30.6	-156.4	-63.8	178	179.7	171	0	113
454	S	29.2	Very low	28.2	Very low	83 Å²	83	144.4 Å²	144.4	58%	0.58	76%	0.756	S	S	*	*	S	Bend	trans	-98.8	-39	-168.8	46.2	0	0	0	0	113.7	D452	D452-S454 VanDerWaalsContact C-N 3.34Å; D452-S454 PolarHBondContact O-N 3.11Å; D452-S454 PolarHBondContact OD2-OG 3.19Å
455	A	32	Very low	28.4	Very low	90 Å²	90	138.4 Å²	138.4	74%	0.744	75%	0.748	S	S	*	*	S	Bend	trans	-79.6	-27.6	-174.4	0	0	0	0	0	115.3	K457	A455-K457 PolarHBondContact O-N 2.72Å
456	F	29.9	Very low	28.4	Very low	199 Å²	199	132.5 Å²	132.5	87%	0.873	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	37.8	-169.9	-146.7	-91	0	0	0	114.3
457	K	30.2	Very low	28.5	Very low	177 Å²	177	133.5 Å²	133.5	77%	0.77	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	0.9	-169.4	-139	178.2	-178	-176.7	0	116.4	A455	A455-K457 PolarHBondContact O-N 2.72Å
458	T	29.1	Very low	28.6	Very low	133 Å²	133	136.8 Å²	136.8	82%	0.816	76%	0.756	S	S	*	*	S	Bend	trans	-113.5	-2.1	-173.4	-37.8	0	0	0	0	114
459	L	29.1	Very low	28.6	Very low	182 Å²	182	135.6 Å²	135.6	95%	0.953	75%	0.746	S	S	*	*	S	Bend	trans	-119.9	14.6	175.3	-99.2	167.8	0	0	0	113.8
460	A	27.9	Very low	28.5	Very low	72 Å²	72	137 Å²	137	60%	0.595	75%	0.745	S	S	*	*	S	Bend	trans	-129.4	49.7	-177.4	0	0	0	0	0	112.7
461	L	29.8	Very low	28.5	Very low	157 Å²	157	137.6 Å²	137.6	82%	0.822	74%	0.743	S	S	*	*	S	Bend	trans	-165.2	137.4	165.8	-104.9	160.1	0	0	0	108.8
462	Q	28.4	Very low	28.7	Very low	131 Å²	131	139.9 Å²	139.9	61%	0.612	74%	0.743	S	S	*	*			trans	60.3	106.6	-176.3	-50	176.8	-6.1	0	0	113.5	T59	T59-Q462 VanDerWaalsContact CG2-OE1 3.29Å; T59-Q462 VanDerWaalsContact OG1-CD 3.23Å; T59-Q462 PolarHBondContact OG1-NE2 3.46Å; T59-Q462 PolarHBondContact OG1-OE1 3.34Å
463	T	29.6	Very low	28.7	Very low	109 Å²	109	140.7 Å²	140.7	67%	0.669	75%	0.747	S	S	*	*			cis	-122.4	113	38.8	40.3	0	0	0	0	114.5
464	Q	27.5	Very low	29	Very low	172 Å²	172	141.1 Å²	141.1	80%	0.804	75%	0.749	S	S	*	*			trans	-77.4	172.1	143	-70.4	-179	-10.8	0	0	109.7	Q61	Q61-Q464 PolarHBondContact NE2-O 2.77Å
465	S	28.3	Very low	29.2	Very low	92 Å²	92	144.1 Å²	144.1	64%	0.643	76%	0.759	S	S	*	*			trans	67.9	68	164.4	-53.9	0	0	0	0	117.3	Q61	Q61-S465 PolarHBondContact NE2-O 3.38Å
466	A	30.5	Very low	29.2	Very low	88 Å²	88	146.4 Å²	146.4	73%	0.727	76%	0.763	S	S	*	*			trans	-134.4	80.3	146.7	0	0	0	0	0	108.1
467	T	27.2	Very low	29.3	Very low	115 Å²	115	142.3 Å²	142.3	71%	0.706	76%	0.756	S	S	*	*			trans	-62.3	131	-173.1	44	0	0	0	0	113.4
468	F	25.4	Very low	29.3	Very low	213 Å²	213	140.3 Å²	140.3	93%	0.934	76%	0.759	S	S	*	*				-109.5	108.1	126.1	-97.3	-96	0	0	0	108.3
469	E	26.5	Very low	29.4	Very low	122 Å²	122	138.6 Å²	138.6	57%	0.57	76%	0.759	S	S	*	*			trans	-66.8	161.4	143.3	-62.6	-165.4	115.2	0	0	106.7	K472	E469-K472 IonicContact OE1-NZ 3.06Å; E469-K472 PolarHBondContact OE1-NZ 2.89Å
470	I	25.3	Very low	29.5	Very low	142 Å²	142	134.1 Å²	134.1	73%	0.728	76%	0.756	S	S	*	*			cis	-149.7	162.9	28.5	-7.4	178.1	0	0	0	106.1
471	E	27.5	Very low	29.6	Very low	183 Å²	183	134.1 Å²	134.1	86%	0.855	76%	0.764	S	S	*	*			cis	-141.9	159	41.1	-73.7	-168.7	115.1	0	0	114.7
472	K	31.6	Very low	29.6	Very low	167 Å²	167	132.2 Å²	132.2	73%	0.726	76%	0.763	S	S	*	*			trans	-93.7	112.3	179.2	-66.1	178.9	176.8	80.6	0	111	E469 K474	E469-K472 IonicContact OE1-NZ 3.06Å; E469-K472 PolarHBondContact OE1-NZ 2.89Å; K472-K474 PolarHBondContact O-N 2.94Å
473	N	28	Very low	29.7	Very low	144 Å²	144	134.3 Å²	134.3	77%	0.77	77%	0.773	S	S	*	*			trans	-75.8	112	172.7	-178	-10.9	0	0	0	111.7
474	K	35.6	Very low	29.5	Very low	192 Å²	192	135.4 Å²	135.4	84%	0.835	78%	0.779	S	S	*	*			trans	-175.1	135.6	139.7	-101.3	148.8	-168.9	169.5	0	115	K472	K472-K474 PolarHBondContact O-N 2.94Å
475	N	34.4	Very low	29.6	Very low	147 Å²	147	133.3 Å²	133.3	79%	0.786	78%	0.778	S	S	*	*			trans	-42.8	141.5	170.8	-52.2	-39.3	0	0	0	115.9
476	V	32.3	Very low	29.5	Very low	138 Å²	138	136.5 Å²	136.5	84%	0.836	79%	0.788	S	S	*	*				-177.8	140.7	113.2	146.1	0	0	0	0	107.9
477	P	30.8	Very low	29.5	Very low	112 Å²	112	139 Å²	139	73%	0.727	79%	0.794	S	S	*	*			trans	-96.2	169	-152.9	37.5	-38.4	0	0	0	115
478	T	29.6	Very low	29.5	Very low	136 Å²	136	140.6 Å²	140.6	83%	0.834	80%	0.798	S	S	*	*				178.1	132.1	122.8	-74.6	0	0	0	0	113.2
479	A	32	Very low	29.6	Very low	97 Å²	97	136.1 Å²	136.1	80%	0.802	79%	0.788	S	S	*	*			trans	55.7	126.9	156.6	0	0	0	0	0	122.7
480	G	31.8	Very low	30	Very low	87 Å²	87	136.2 Å²	136.2	90%	0.897	80%	0.799	S	S	*	*			trans	88.6	143.1	154.8	0	0	0	0	0	116.5
481	G	30.6	Very low	30.3	Very low	73 Å²	73	135.3 Å²	135.3	75%	0.753	80%	0.796	S	S	*	*			cis	158.8	97.2	-12.5	0	0	0	0	0	115.7
482	S	28.3	Very low	30.5	Very low	116 Å²	116	134.5 Å²	134.5	81%	0.811	79%	0.789	S	S	*	*			trans	74.8	159.4	167.1	-151.1	0	0	0	0	118.3
483	E	31.1	Very low	30.4	Very low	175 Å²	175	134 Å²	134	82%	0.818	79%	0.794	S	S	*	*			trans	61.6	116.6	172.1	-61.6	177.7	134	0	0	115.8
484	V	25.5	Very low	30.6	Very low	133 Å²	133	132.9 Å²	132.9	81%	0.806	79%	0.792	S	S	*	*			cis	70.7	117.5	46.7	-176	0	0	0	0	113
485	V	30	Very low	30.4	Very low	127 Å²	127	131.5 Å²	131.5	77%	0.77	79%	0.788	S	S	*	*			trans	174	131	138.5	146.2	0	0	0	0	109.9	V487	V485-V487 HydrophobicContact CG1-CG2 4.21Å
486	D	24.7	Very low	30.2	Very low	160 Å²	160	128.4 Å²	128.4	86%	0.856	78%	0.778	S	S	*	*			trans	-76.8	148.4	166.9	-56.4	-86.1	0	0	0	111.8
487	V	30.8	Very low	30.1	Very low	141 Å²	141	127.9 Å²	127.9	86%	0.855	78%	0.776	S	S	*	*			trans	-136	137.8	156.7	-172.5	0	0	0	0	110	V485	V485-V487 HydrophobicContact CG1-CG2 4.21Å
488	N	28.5	Very low	29.9	Very low	147 Å²	147	127.6 Å²	127.6	79%	0.786	78%	0.776	S	S	*	*			trans	-107.6	175.4	-167.1	-151.7	-12.2	0	0	0	112.9
489	V	27.7	Very low	30.1	Very low	119 Å²	119	126.9 Å²	126.9	72%	0.721	77%	0.771	S	S	*	*			trans	-61.3	143.6	-179.2	172.6	0	0	0	0	113.6
490	P	34.2	Very low	30	Very low	124 Å²	124	128.5 Å²	128.5	81%	0.805	77%	0.772	S	S	*	*			trans	-84.3	145.3	162.7	34.4	-33.2	0	0	0	112.3
491	D	30.9	Very low	29.9	Very low	123 Å²	123	131.4 Å²	131.4	66%	0.658	77%	0.772	S	S	*	*			trans	-119	167.9	-155.5	-175.2	21.3	0	0	0	113.3
492	K	31.1	Very low	29.9	Very low	167 Å²	167	131.5 Å²	131.5	73%	0.726	77%	0.773	S	S	*	*			trans	67.3	137.5	163.5	-72.8	163.2	-179.7	93.5	0	120.3
493	L	30.8	Very low	29.8	Very low	157 Å²	157	133.5 Å²	133.5	82%	0.822	77%	0.774	S	S	*	*				-164.5	132.2	94.7	-96.4	168.6	0	0	0	112.8
494	V	32.3	Very low	29.8	Very low	119 Å²	119	130.7 Å²	130.7	72%	0.721	77%	0.771	S	S	*	*	S	Bend	trans	60.8	124.2	154.5	179.1	0	0	0	0	118.3
495	E	31.4	Very low	29.8	Very low	163 Å²	163	129.3 Å²	129.3	76%	0.762	76%	0.763	S	S	*	*			cis	-168.4	159.9	-13	-106.9	-150.1	-88.1	0	0	106.1
496	S	29.5	Very low	29.6	Very low	82 Å²	82	129 Å²	129	57%	0.573	76%	0.761	S	S	*	*			cis	-159.7	-176.6	-8.8	-126.4	0	0	0	0	107.6
497	T	29.9	Very low	29.8	Very low	128 Å²	128	128.8 Å²	128.8	79%	0.785	76%	0.755	S	S	*	*			cis	-143.4	153.9	8.8	-16.1	0	0	0	0	108.8
498	S	28.2	Very low	29.6	Very low	106 Å²	106	128.1 Å²	128.1	74%	0.741	75%	0.746	S	S	*	*			trans	-86.2	175.9	168.8	54.5	0	0	0	0	110.6
499	V	32.1	Very low	29.6	Very low	120 Å²	120	128.2 Å²	128.2	73%	0.727	74%	0.744	S	S	*	*				-168.1	132.2	72.2	161.3	0	0	0	0	111.7
500	T	30.7	Very low	29.7	Very low	132 Å²	132	127.8 Å²	127.8	81%	0.81	74%	0.741	S	S	*	*			trans	16.2	147.6	158	63.8	0	0	0	0	124.6
501	T	28.9	Very low	29.7	Very low	147 Å²	147	130 Å²	130	90%	0.902	74%	0.74	S	S	*	*			trans	-70.1	154.5	163.2	41.8	0	0	0	0	114.9
502	G	30.3	Very low	29.8	Very low	76 Å²	76	130.3 Å²	130.3	78%	0.784	74%	0.742	S	S	*	*			trans	177.8	128.5	166.8	0	0	0	0	0	114.2
503	L	27	Very low	29.8	Very low	158 Å²	158	130.5 Å²	130.5	83%	0.827	75%	0.746	S	S	*	*			trans	-76.2	163.9	163.8	-90	75.8	0	0	0	109.8
504	P	31.4	Very low	30	Very low	116 Å²	116	131.2 Å²	131.2	75%	0.753	75%	0.745	S	S	*	*			cis	-110.4	160.2	21.3	3.3	22.7	0	0	0	114.3
505	T	24.8	Very low	30	Very low	104 Å²	104	132 Å²	132	64%	0.638	75%	0.745	S	S	*	*				72.4	136	68.7	-41.7	0	0	0	0	114.3
506	T	27.4	Very low	30	Very low	120 Å²	120	128.5 Å²	128.5	74%	0.736	74%	0.735	S	S	*	*			trans	63.3	140.7	174.1	47.7	0	0	0	0	116
507	E	27.5	Very low	30.1	Very low	155 Å²	155	132.3 Å²	132.3	72%	0.724	74%	0.743	S	S	*	*			cis	-164.8	153.7	-3.8	-126.8	174.7	-166.7	0	0	110.7
508	L	27.1	Very low	30.3	Very low	128 Å²	128	133 Å²	133	67%	0.67	74%	0.74	S	S	*	*			trans	62.8	153.2	155.6	-59	168.6	0	0	0	117.4
509	M	28.5	Very low	30.5	Very low	148 Å²	148	132.3 Å²	132.3	73%	0.729	74%	0.735	S	S	*	*			cis	-145.1	146	4.8	-118.9	142.1	173.8	0	0	107.3
510	V	29.5	Very low	30.6	Very low	110 Å²	110	133.3 Å²	133.3	67%	0.667	74%	0.736	S	S	*	*				56.5	115.8	90.6	-176	0	0	0	0	109.7
511	E	33.9	Very low	30.9	Very low	170 Å²	170	133.5 Å²	133.5	79%	0.794	74%	0.737	S	S	*	*			cis	-147.8	174.5	38.4	-64.3	168.1	168.2	0	0	109
512	D	33.3	Very low	31.2	Very low	130 Å²	130	131 Å²	131	70%	0.695	73%	0.73	S	S	*	*			cis	-155.1	148.8	-30.7	-93.1	-19.8	0	0	0	105.2
513	H	31.7	Very low	31.1	Very low	172 Å²	172	136.7 Å²	136.7	80%	0.796	73%	0.734	S	S	*	*				60.4	151	79.5	-118.2	-75.2	0	0	0	115.5
514	E	34.6	Very low	31.8	Very low	171 Å²	171	134.9 Å²	134.9	80%	0.799	73%	0.732	S	S	*	*			trans	72	141.4	-179.8	-65.9	-171.4	-170.5	0	0	113.8
515	D	31.8	Very low	32	Very low	136 Å²	136	136.9 Å²	136.9	73%	0.727	73%	0.731	S	S	*	*			cis	169.5	-179.8	-7.9	-115.6	32.8	0	0	0	105.2
516	T	31.8	Very low	32.6	Very low	90 Å²	90	139.8 Å²	139.8	55%	0.552	74%	0.735	S	S	*	*			cis	-163.6	145.6	-14	-118.4	0	0	0	0	108.8
517	E	31.6	Very low	33.2	Very low	161 Å²	161	140.2 Å²	140.2	75%	0.752	73%	0.733	S	S	*	*			trans	55.5	-176.9	160.6	-68.2	170.5	166.8	0	0	117.2
518	M	34.7	Very low	33.5	Very low	143 Å²	143	136.6 Å²	136.6	70%	0.704	74%	0.737	S	S	*	*			cis	-148.5	130.9	6.4	-142.8	169.3	-82.9	0	0	107.3
519	S	32	Very low	33.7	Very low	92 Å²	92	142.4 Å²	142.4	64%	0.643	75%	0.75	S	S	*	*				60.3	149.2	109.6	105.4	0	0	0	0	116.4
520	D	33.9	Very low	34.1	Very low	141 Å²	141	139.4 Å²	139.4	75%	0.754	75%	0.749	S	S	*	*			cis	-143.9	176.1	1.7	-83.5	-61.7	0	0	0	107.4
521	V	36.8	Very low	34.6	Very low	136 Å²	136	140.5 Å²	140.5	82%	0.824	76%	0.758	S	S	*	*				-166.8	129.9	56	167.6	0	0	0	0	112.5
522	A	35.4	Very low	34.4	Very low	93 Å²	93	137.5 Å²	137.5	77%	0.769	76%	0.756	S	S	*	*			trans	47	110.5	148.5	0	0	0	0	0	123.9
523	F	29.1	Very low	34.4	Very low	197 Å²	197	140.7 Å²	140.7	86%	0.864	76%	0.764	S	S	*	*			trans	-62.5	160.1	144.5	-92.6	-86.6	0	0	0	112.5
524	P	40.4	Very low	34.6	Very low	119 Å²	119	138.3 Å²	138.3	77%	0.773	76%	0.757	S	S	*	*				-150.3	-179.9	73	38.3	-18	0	0	0	116.3
525	Q	35.9	Very low	34.4	Very low	159 Å²	159	136 Å²	136	74%	0.743	76%	0.755	S	S	*	*			cis	-179.8	163.8	-33.9	-172.5	178.5	5.8	0	0	107.1
526	K	38.3	Very low	34.6	Very low	165 Å²	165	133.7 Å²	133.7	72%	0.717	75%	0.749	S	S	*	*			trans	91.7	143.5	164.8	-59.5	-171.8	160.3	-148.3	0	117.6
527	D	38.6	Very low	34.8	Very low	129 Å²	129	135.9 Å²	135.9	69%	0.69	76%	0.757	S	S	*	*			cis	-156.1	129.2	-9.2	-102.6	-25.2	0	0	0	111.7
528	G	34.6	Very low	35	Very low	79 Å²	79	133.8 Å²	133.8	81%	0.814	75%	0.751	S	S	*	*			trans	63	167.7	154.5	0	0	0	0	0	121.1
529	R	31.4	Very low	35	Very low	249 Å²	249	135 Å²	135	94%	0.94	76%	0.755	S	S	*	*			cis	-166	135.3	-21.7	-165.8	-170.5	-172.4	-175.2	3.9	109.8
530	A	36.8	Very low	35.2	Very low	86 Å²	86	134.9 Å²	134.9	71%	0.711	75%	0.754	S	S	*	*			trans	-90	171.4	170.5	0	0	0	0	0	112.9
531	P	39.1	Very low	35.3	Very low	132 Å²	132	134.4 Å²	134.4	86%	0.857	75%	0.752	S	S	*	*				-143.7	159.4	122.2	38.5	-25.7	0	0	0	115.6
532	S	31.1	Very low	35.3	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	75%	0.75	S	S	*	*			trans	-114.1	154.5	172.5	54	0	0	0	0	111.6
533	F	33.3	Very low	35.2	Very low	197 Å²	197	134.4 Å²	134.4	86%	0.864	75%	0.751	S	S	*	*			trans	-167.4	149.1	165.5	-114.8	-93.5	0	0	0	107.5
534	L	34.6	Very low	35.4	Very low	121 Å²	121	128.9 Å²	128.9	63%	0.634	75%	0.75	S	S	*	*			cis	178	153.7	-38.3	-113.3	165.9	0	0	0	106.5
535	T	32.2	Very low	34.9	Very low	124 Å²	124	131.3 Å²	131.3	76%	0.761	75%	0.751	S	S	*	*			trans	64.1	145.7	160.3	46.4	0	0	0	0	119.2
536	S	35.5	Very low	34.7	Very low	87 Å²	87	130.9 Å²	130.9	61%	0.608	75%	0.748	S	S	*	*			cis	-172.4	162.1	-4.7	49	0	0	0	0	114
537	N	35.3	Very low	34.3	Very low	135 Å²	135	127.8 Å²	127.8	72%	0.722	74%	0.743	S	S	*	*			trans	96.9	112.2	149.3	-58.8	-24	0	0	0	121.4
538	N	35.1	Very low	33.8	Very low	118 Å²	118	127.8 Å²	127.8	63%	0.631	74%	0.741	S	S	*	*				61.9	117.2	126.3	-61.9	55.3	0	0	0	119.5
539	E	35.6	Very low	33.6	Very low	167 Å²	167	132.7 Å²	132.7	78%	0.78	74%	0.735	S	S	*	*				70.7	137.4	90.1	-68.8	175.5	143.7	0	0	114.4
540	S	36.4	Very low	33.5	Very low	90 Å²	90	129.4 Å²	129.4	63%	0.629	73%	0.727	S	S	*	*			cis	-166.1	174.9	-6.6	49.3	0	0	0	0	111.1
541	D	35.7	Very low	33.2	Very low	131 Å²	131	129.2 Å²	129.2	70%	0.701	72%	0.721	S	S	*	*			trans	75	117.7	149	-66	-30	0	0	0	124.3
542	I	37.5	Very low	33	Very low	153 Å²	153	132.4 Å²	132.4	79%	0.785	72%	0.721	S	S	*	*				56.8	101.1	123.7	-52.8	166.1	0	0	0	118.2
543	G	33.7	Very low	33	Very low	77 Å²	77	139 Å²	139	79%	0.794	73%	0.729	S	S	*	*				60.7	145.2	107.3	0	0	0	0	0	120.9
544	G	32.9	Very low	33	Very low	81 Å²	81	133.9 Å²	133.9	84%	0.835	72%	0.724	S	S	*	*			trans	145.1	102.4	169.1	0	0	0	0	0	114.2
545	E	29.2	Very low	33	Very low	169 Å²	169	137.2 Å²	137.2	79%	0.79	73%	0.733	S	S	*	*			trans	-60.8	164.7	171.5	-162.7	-163.7	113.8	0	0	113
546	Q	31.7	Very low	33.2	Very low	150 Å²	150	141.5 Å²	141.5	70%	0.701	74%	0.735	S	S	*	*			trans	110.2	116.8	149.6	-62.2	-144.2	-5.4	0	0	122.2
547	V	29.8	Very low	33.2	Very low	100 Å²	100	143.4 Å²	143.4	61%	0.606	74%	0.739	S	S	*	*				67	102.6	121.3	-177.7	0	0	0	0	119.3
548	M	29.2	Very low	33.2	Very low	130 Å²	130	147.2 Å²	147.2	64%	0.64	74%	0.743	S	S	*	*			trans	75.1	150.2	139.5	-92.7	-161.4	-71.1	0	0	122
549	R	29.5	Very low	33.3	Very low	181 Å²	181	152.5 Å²	152.5	68%	0.683	75%	0.754	S	S	*	*			trans	71.1	120.7	142.2	-76.1	162.6	-179.7	167.4	5.2	119.3
550	K	29.9	Very low	33.2	Very low	181 Å²	181	147.7 Å²	147.7	79%	0.787	75%	0.749	S	S	*	*			trans	74.7	153.9	137.5	-62.8	169.7	-174.7	175.3	0	115.5
551	S	30.5	Very low	33.2	Very low	82 Å²	82	151.1 Å²	151.1	57%	0.573	76%	0.76	S	S	*	*			cis	-174.4	152.4	-13.3	-98.8	0	0	0	0	111.4
552	K	33.7	Very low	33.2	Very low	199 Å²	199	154.2 Å²	154.2	87%	0.865	77%	0.768	S	S	*	*			trans	71.6	172	166.3	-50.2	136	-176.3	176.8	0	112.5
553	R	32	Very low	33.1	Very low	245 Å²	245	153.4 Å²	153.4	93%	0.925	77%	0.77	S	S	*	*			cis	-167.6	130.3	23.3	-175.1	-172	-167.7	179.5	3.5	109.8
554	A	33.9	Very low	33.2	Very low	91 Å²	91	159.1 Å²	159.1	75%	0.752	77%	0.773	S	S	*	*			cis	-123	-126.1	-9.8	0	0	0	0	0	109.1
555	K	34.8	Very low	33.3	Very low	190 Å²	190	162.5 Å²	162.5	83%	0.826	77%	0.771	S	S	*	*			cis	-135.1	136.6	0.5	-78.7	175.1	176.1	169.8	0	107.1
556	R	34.6	Very low	33.3	Very low	214 Å²	214	161.6 Å²	161.6	81%	0.808	77%	0.772	S	S	*	*				47.8	117.8	94.7	-62.2	-175.4	88.1	157.9	4.7	114.1
557	N	35.8	Very low	33.4	Very low	127 Å²	127	158.1 Å²	158.1	68%	0.679	78%	0.776	S	S	*	*			cis	-150.7	175.1	12.5	-61.5	-66.7	0	0	0	109.3
558	R	36.4	Very low	33.4	Very low	215 Å²	215	160.1 Å²	160.1	81%	0.811	79%	0.788	S	S	*	*			cis	-158.3	169	-1.7	-132.6	166.8	-175.9	177.8	-1.3	109.8
559	R	35.8	Very low	33.5	Very low	230 Å²	230	158.6 Å²	158.6	87%	0.868	79%	0.791	S	S	*	*			trans	-31.8	157.4	167.7	-55.6	164.9	-179.9	173.2	-4.9	116.3
560	G	34	Very low	33.5	Very low	65 Å²	65	154.2 Å²	154.2	67%	0.67	79%	0.788	S	S	*	*			cis	115.2	149.6	8.7	0	0	0	0	0	113.5
561	N	35.8	Very low	33.7	Very low	163 Å²	163	153.6 Å²	153.6	87%	0.872	79%	0.788	S	S	*	*			trans	75.5	136.5	-164.2	-61.9	0.1	0	0	0	113.7
562	K	37.7	Very low	33.7	Very low	196 Å²	196	156.2 Å²	156.2	85%	0.852	80%	0.795	S	S	*	*			cis	76.5	81.4	18.5	-160.8	-170.3	178.3	179.6	0	116.1
563	T	33.9	Very low	33.5	Very low	136 Å²	136	154 Å²	154	83%	0.834	79%	0.79	S	S	*	*			trans	-143.4	125	143.4	29	0	0	0	0	108.5
564	K	36.6	Very low	33.5	Very low	197 Å²	197	149.3 Å²	149.3	86%	0.857	78%	0.778	S	S	*	*			trans	-95.5	118.9	167.3	-174.8	-178.4	-179.3	-175.4	0	106.5
565	L	34.7	Very low	33.6	Very low	152 Å²	152	150.6 Å²	150.6	80%	0.796	78%	0.779	S	S	*	*			trans	-135.3	151.9	167.9	-96.7	169.2	0	0	0	107.5
566	D	30.3	Very low	33.3	Very low	149 Å²	149	147 Å²	147	80%	0.797	77%	0.767	S	S	*	*			trans	-83.3	143.8	-161.2	-47.9	-81.4	0	0	0	112.3
567	G	32.3	Very low	33.1	Very low	77 Å²	77	142.2 Å²	142.2	79%	0.794	76%	0.762	S	S	*	*			trans	-177.1	88.2	-171.3	0	0	0	0	0	113.8
568	V	30.9	Very low	32.8	Very low	142 Å²	142	144.7 Å²	144.7	86%	0.861	77%	0.769	S	S	*	*			trans	-51.4	154.6	173.3	175	0	0	0	0	114
569	S	30.8	Very low	32.7	Very low	99 Å²	99	139.3 Å²	139.3	69%	0.692	77%	0.771	S	S	*	*			trans	92.5	117.3	154.1	-107.4	0	0	0	0	121.8
570	S	30.3	Very low	32.9	Very low	89 Å²	89	132.7 Å²	132.7	62%	0.622	77%	0.766	S	S	*	*				75.3	115.7	118.6	-59.4	0	0	0	0	122.4
571	Q	34.1	Very low	33.2	Very low	168 Å²	168	134.8 Å²	134.8	79%	0.785	77%	0.767	S	S	*	*				82.3	121.6	128.1	-69.3	174	-14.7	0	0	121.5
572	N	30.3	Very low	33.2	Very low	137 Å²	137	134.2 Å²	134.2	73%	0.733	76%	0.764	S	S	*	*			trans	81.9	141.8	134.4	-69.9	9.6	0	0	0	122.4
573	M	29.7	Very low	33	Very low	152 Å²	152	130.3 Å²	130.3	75%	0.749	76%	0.762	S	S	*	*			trans	68.4	112.7	162.7	-56.8	-46.7	179.8	0	0	120
574	E	31.5	Very low	33	Very low	147 Å²	147	129 Å²	129	69%	0.687	76%	0.758	S	S	*	*				43.8	149.3	110	-73	178.6	-168.2	0	0	120.8	I576	E574-I576 HydrophobicContact CG-CD1 3.81Å; E574-I576 HydrophobicContact CG-CG1 4.1Å; E574-I576 WeakPolarHBondContact OE2-CD1 3.48Å
575	P	35.1	Very low	32.6	Very low	118 Å²	118	125.3 Å²	125.3	77%	0.766	75%	0.752	S	S	*	*			cis	-124.4	173.9	37.2	43.7	-30.7	0	0	0	114.6
576	I	28.4	Very low	32.5	Very low	113 Å²	113	124.8 Å²	124.8	58%	0.579	75%	0.75	S	S	*	*			cis	78.3	148.1	25.6	-43.4	-177.7	0	0	0	115.4	E574	E574-I576 HydrophobicContact CG-CD1 3.81Å; E574-I576 HydrophobicContact CG-CG1 4.1Å; E574-I576 WeakPolarHBondContact OE2-CD1 3.48Å
577	V	30.6	Very low	32.6	Very low	114 Å²	114	124.5 Å²	124.5	69%	0.691	75%	0.747	S	S	*	*			trans	78.7	99.9	170.9	-163.7	0	0	0	0	113.9
578	E	30	Very low	32.6	Very low	179 Å²	179	129.5 Å²	129.5	84%	0.836	75%	0.747	S	S	*	*				70.3	138.7	66	-66.4	-174.7	110.6	0	0	116
579	A	34.3	Very low	32.7	Very low	103 Å²	103	130.5 Å²	130.5	85%	0.851	75%	0.748	S	S	*	*			trans	-167.6	115.8	134.5	0	0	0	0	0	110.3
580	A	38.7	Very low	32.9	Very low	91 Å²	91	133.9 Å²	133.9	75%	0.752	76%	0.758	S	S	*	*			trans	-88.8	-172.7	166.9	0	0	0	0	0	111
581	P	40.7	Very low	32.9	Very low	109 Å²	109	138.1 Å²	138.1	71%	0.708	77%	0.768	S	S	*	*				-135.1	128	119	13.9	6.9	0	0	0	115
582	N	36.3	Very low	33	Very low	150 Å²	150	134.3 Å²	134.3	80%	0.802	76%	0.758	S	S	*	*				63.5	139.9	125.2	-49.4	-17.2	0	0	0	119.6
583	S	34.4	Very low	33.1	Very low	115 Å²	115	137.4 Å²	137.4	80%	0.804	76%	0.764	S	S	*	*			cis	-165.7	161.7	-7.4	50.9	0	0	0	0	107
584	S	32	Very low	33	Very low	109 Å²	109	134 Å²	134	76%	0.762	77%	0.769	S	S	*	*			cis	-158.8	149.5	37.5	54.3	0	0	0	0	115.1
585	T	30	Very low	32.9	Very low	119 Å²	119	135.9 Å²	135.9	73%	0.73	78%	0.777	S	S	*	*			trans	-36	154.3	166.3	51.2	0	0	0	0	117.1
586	L	31.2	Very low	32.5	Very low	141 Å²	141	140.9 Å²	140.9	74%	0.738	78%	0.781	S	S	*	*				-164.2	139.3	66.2	-80.4	163.2	0	0	0	114.3
587	L	32.7	Very low	32.5	Very low	143 Å²	143	141.1 Å²	141.1	75%	0.749	79%	0.787	S	S	*	*			trans	44.2	139.9	141.1	-48.4	175.5	0	0	0	120.3
588	K	33.5	Very low	32.4	Very low	181 Å²	181	145.3 Å²	145.3	79%	0.787	80%	0.796	S	S	*	*			cis	-170.9	137.6	-3.9	-121.8	-177.7	176.7	-166.2	0	107.7
589	D	32.3	Very low	32.4	Very low	164 Å²	164	145 Å²	145	88%	0.877	80%	0.795	S	S	*	*			trans	-118.1	149	170.6	-79.6	-51.5	0	0	0	111.7
590	D	35.8	Very low	31.9	Very low	170 Å²	170	144.6 Å²	144.6	91%	0.909	79%	0.786	S	S	*	*			trans	-148.9	145.3	162.3	-108.2	-46.2	0	0	0	108.9
591	E	30.4	Very low	31.4	Very low	178 Å²	178	147 Å²	147	83%	0.832	79%	0.792	S	S	*	*			trans	-75.9	-179.8	-172.7	-112.6	-155	146.1	0	0	114.1
592	P	35.2	Very low	30.6	Very low	87 Å²	87	147.4 Å²	147.4	57%	0.565	79%	0.792	S	S	*	*			cis	-137.3	-167.3	-10.2	27.5	-3	0	0	0	114.6
593	K	32.9	Very low	30.1	Very low	202 Å²	202	144.8 Å²	144.8	88%	0.878	79%	0.791	S	S	*	*			trans	88	113.1	162	-54.6	170.9	-175.4	171.7	0	115.2
594	G	27.6	Very low	29.6	Very low	81 Å²	81	144.8 Å²	144.8	84%	0.835	79%	0.786	S	S	*	*			trans	-116.7	176.2	179.2	0	0	0	0	0	114.3
595	Q	29.9	Very low	29.4	Very low	187 Å²	187	144.7 Å²	144.7	87%	0.874	79%	0.785	S	S	*	*			trans	-139.5	134.7	161.5	-160.5	164.2	0.6	0	0	107	V597	Q595-V597 PolarHBondContact O-N 2.97Å; Q595-V597 VanDerWaalsContact O-N 3.07Å
596	W	26.7	Very low	29.1	Very low	223 Å²	223	146.5 Å²	146.5	85%	0.845	79%	0.785	S	S	*	*			trans	-75.2	102.9	-166	-76	78.3	0	0	0	112.3
597	V	27.1	Very low	28.8	Very low	117 Å²	117	146.7 Å²	146.7	71%	0.709	79%	0.792	S	S	*	*			trans	-102.1	138.7	159.5	-175.8	0	0	0	0	107.7	Q595 E599	Q595-V597 PolarHBondContact O-N 2.97Å; Q595-V597 VanDerWaalsContact O-N 3.07Å; V597-E599 HydrophobicContact CG1-CG 4.03Å
598	K	29.9	Very low	28.4	Very low	203 Å²	203	144.5 Å²	144.5	88%	0.883	79%	0.785	S	S	*	*			trans	-125.5	83.5	176.8	-163.6	179.5	-175	-174.8	0	110.3
599	E	28.5	Very low	27.9	Very low	171 Å²	171	143.4 Å²	143.4	80%	0.799	79%	0.786	S	S	*	*			trans	-71.4	167.6	172.8	-71.2	-177.1	152.6	0	0	112	V597	V597-E599 HydrophobicContact CG1-CG 4.03Å
600	S	24.9	Very low	27.6	Very low	96 Å²	96	141.9 Å²	141.9	67%	0.671	78%	0.783	S	S	*	*			trans	-81.6	140	-173.1	53.4	0	0	0	0	113.4
601	T	27.2	Very low	27	Very low	141 Å²	141	143.3 Å²	143.3	87%	0.865	78%	0.776	S	S	*	*			trans	-117.1	120.8	161.8	-48.5	0	0	0	0	109.3	A603	T601-A603 PolarHBondContact O-N 3.13Å
602	T	25.4	Very low	26.8	Very low	118 Å²	118	140.6 Å²	140.6	72%	0.724	78%	0.776	S	S	*	*			trans	-75.2	118.5	174.1	-54.8	0	0	0	0	109.5	V604	T602-V604 HydrophobicContact CG2-CG2 4.26Å; T602-V604 PolarHBondContact O-N 3.16Å
603	A	25.8	Very low	26.5	Very low	94 Å²	94	144.3 Å²	144.3	78%	0.777	79%	0.786	S	S	*	*			trans	-85.9	95.4	170.5	0	0	0	0	0	109.8	T601 S605	T601-A603 PolarHBondContact O-N 3.13Å; A603-S605 PolarHBondContact O-N 2.76Å
604	V	23.3	Very low	26.3	Very low	116 Å²	116	139.3 Å²	139.3	70%	0.703	78%	0.782	S	S	*	*			trans	-75.6	117.2	165.1	178	0	0	0	0	107.8	T602	T602-V604 HydrophobicContact CG2-CG2 4.26Å; T602-V604 PolarHBondContact O-N 3.16Å
605	S	26.4	Very low	26.3	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	78%	0.777	S	S	*	*			trans	-111.4	101.1	170.1	42.9	0	0	0	0	109.2	A603 V607	A603-S605 PolarHBondContact O-N 2.76Å; S605-V607 PolarHBondContact O-N 2.77Å
606	H	24.1	Very low	26.2	Very low	158 Å²	158	141.1 Å²	141.1	73%	0.731	78%	0.777	S	S	*	*			trans	-60.5	122.3	163.9	-87.6	-111.8	0	0	0	108.9
607	V	25.5	Very low	26.1	Very low	145 Å²	145	135.4 Å²	135.4	88%	0.879	77%	0.771	S	S	*	*			trans	-100.6	85.3	153.4	-178	0	0	0	0	106.6	S605	S605-V607 PolarHBondContact O-N 2.77Å
608	T	24.4	Very low	26.2	Very low	97 Å²	97	136.6 Å²	136.6	60%	0.595	78%	0.778	S	S	*	*			trans	-65.8	136.5	174.4	-58	0	0	0	0	109.2	V610	T608-V610 PolarHBondContact O-N 3.12Å
609	L	22.4	Very low	25.9	Very low	157 Å²	157	134.9 Å²	134.9	82%	0.822	77%	0.773	S	S	*	*			trans	-71.4	92.3	-179.1	-166.2	150.5	0	0	0	110.2	R611	L609-R611 HydrophobicContact CD2-CB 4.47Å; L609-R611 PolarHBondContact O-N 3.15Å; L609-R611 VanDerWaalsContact O-N 3.13Å
610	V	25.7	Very low	26.1	Very low	133 Å²	133	133.3 Å²	133.3	81%	0.806	78%	0.776	S	S	*	*			trans	-80.2	93.6	178.4	-178.1	0	0	0	0	109.8	T608	T608-V610 PolarHBondContact O-N 3.12Å
611	R	23.1	Very low	26.1	Very low	200 Å²	200	135.7 Å²	135.7	76%	0.755	78%	0.781	S	S	*	*			trans	-75.3	118.4	165.8	-168.2	-176.5	-159.1	162.9	3.8	108.4	L609	L609-R611 HydrophobicContact CD2-CB 4.47Å; L609-R611 PolarHBondContact O-N 3.15Å; L609-R611 VanDerWaalsContact O-N 3.13Å
612	S	28.1	Very low	26.3	Very low	121 Å²	121	137.3 Å²	137.3	85%	0.846	78%	0.783	S	S	*	*			trans	-87.6	125.4	170.5	-162.9	0	0	0	0	109.3
613	E	27.2	Very low	26.5	Very low	165 Å²	165	136 Å²	136	77%	0.771	78%	0.779	S	S	*	*			trans	-104.9	129.3	-173.3	-61.8	-173.4	141.7	0	0	112.3
614	A	29.5	Very low	26.9	Very low	96 Å²	96	137.6 Å²	137.6	79%	0.793	77%	0.774	S	S	*	*			trans	-176.8	139.6	159.8	0	0	0	0	0	107.9
615	V	28	Very low	27.4	Very low	120 Å²	120	143 Å²	143	73%	0.727	78%	0.783	S	S	*	*			cis	-151	135.9	-17.8	150.3	0	0	0	0	101.8
616	Q	27.8	Very low	27.8	Very low	187 Å²	187	143.4 Å²	143.4	87%	0.874	78%	0.782	S	S	*	*				-174.4	158.9	76.3	-148	149.6	34.9	0	0	111.2
617	S	24.9	Very low	28.1	Very low	103 Å²	103	145.3 Å²	145.3	72%	0.72	79%	0.792	S	S	*	*			trans	-91.9	137.3	-172	54.3	0	0	0	0	115.1
618	V	28.4	Very low	28.5	Very low	142 Å²	142	142.8 Å²	142.8	86%	0.861	79%	0.786	S	S	*	*			trans	-137.6	120.7	145.9	-178.7	0	0	0	0	108.3
619	E	24.1	Very low	28.9	Very low	167 Å²	167	144.2 Å²	144.2	78%	0.78	80%	0.797	S	S	*	*			trans	-92.4	136.1	174.6	-61.4	177	114.6	0	0	111.1
620	T	31.7	Very low	29.2	Very low	138 Å²	138	142.1 Å²	142.1	85%	0.847	80%	0.795	S	S	*	*			trans	-141	112.5	149.4	51.4	0	0	0	0	109.7
621	N	25.6	Very low	29.6	Very low	145 Å²	145	144 Å²	144	78%	0.775	80%	0.799	S	S	*	*			trans	-70.1	137.7	173.9	-70.2	-81.7	0	0	0	111.1
622	L	31.5	Very low	29.9	Very low	175 Å²	175	139.7 Å²	139.7	92%	0.916	80%	0.799	S	S	*	*			trans	-154.3	130.5	136.9	-142	71.1	0	0	0	110.4
623	S	28.8	Very low	29.9	Very low	92 Å²	92	138.9 Å²	138.9	64%	0.643	79%	0.794	S	S	*	*			trans	-93	148	172.6	59	0	0	0	0	110.4
624	D	34.8	Very low	30.2	Very low	126 Å²	126	136.9 Å²	136.9	67%	0.674	80%	0.798	S	S	*	*				175.3	123.6	109	-86.2	-9.5	0	0	0	113.9
625	W	34.2	Very low	30.1	Very low	231 Å²	231	142.4 Å²	142.4	88%	0.875	80%	0.804	S	S	*	*			trans	55.9	154.6	140	-66.7	66.6	0	0	0	121.7
626	P	35.2	Very low	30.2	Very low	114 Å²	114	142.6 Å²	142.6	74%	0.74	81%	0.811	S	S	*	*			cis	-132.3	-162.3	-22.7	35.6	-14.4	0	0	0	113.9
627	E	30	Very low	30.2	Very low	198 Å²	198	138.2 Å²	138.2	93%	0.925	80%	0.801	S	S	*	*			trans	-90.2	176.7	-160.3	-61.3	172.4	108.9	0	0	117.6
628	A	33.6	Very low	30.4	Very low	91 Å²	91	138.1 Å²	138.1	75%	0.752	80%	0.8	S	S	*	*			trans	-80.7	-172.2	-176.1	0	0	0	0	0	114.7
629	P	33.3	Very low	30.5	Very low	127 Å²	127	139.5 Å²	139.5	83%	0.825	80%	0.801	S	S	*	*				-147.5	172.7	93.5	39.7	-23.6	0	0	0	116.4
630	S	28.1	Very low	30.7	Very low	113 Å²	113	137 Å²	137	79%	0.79	80%	0.802	S	S	*	*			trans	-112.2	143.1	-179.9	56.1	0	0	0	0	113.3
631	I	33.4	Very low	30.5	Very low	173 Å²	173	134.2 Å²	134.2	89%	0.887	80%	0.801	S	S	*	*			trans	-139.6	152	168.5	-52.4	-179.7	0	0	0	110.5
632	S	29	Very low	30.7	Very low	109 Å²	109	136.1 Å²	136.1	76%	0.762	80%	0.802	S	S	*	*			trans	-101.4	172.5	-168.3	56.1	0	0	0	0	116.5
633	S	29.4	Very low	30.7	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	80%	0.797	S	S	*	*			trans	-48	152.4	179.7	55.7	0	0	0	0	119.4
634	S	32.5	Very low	30.9	Very low	122 Å²	122	135.5 Å²	135.5	85%	0.853	80%	0.797	S	S	*	*			trans	-156.7	141.4	141.9	-63.6	0	0	0	0	111.2
635	F	28.5	Very low	30.8	Very low	212 Å²	212	137.5 Å²	137.5	93%	0.93	80%	0.802	S	S	*	*			trans	-90	146.2	168.2	-93.5	-108.6	0	0	0	110.7
636	S	29.2	Very low	30.8	Very low	124 Å²	124	134.5 Å²	134.5	87%	0.867	80%	0.798	S	S	*	*				179.1	-179.5	114.9	-161.3	0	0	0	0	110.9
637	S	27.9	Very low	30.8	Very low	95 Å²	95	132.2 Å²	132.2	66%	0.664	79%	0.794	S	S	*	*			trans	-123.4	163	-161	76.9	0	0	0	0	115.4
638	S	28.9	Very low	31.2	Very low	101 Å²	101	130.6 Å²	130.6	71%	0.706	79%	0.791	S	S	*	*			trans	90.5	144.7	143.4	-59.7	0	0	0	0	121.7
639	I	30.5	Very low	31.4	Very low	171 Å²	171	131.4 Å²	131.4	88%	0.877	79%	0.788	S	S	*	*			trans	86.6	139.7	157.8	-67.2	156	0	0	0	119
640	S	28.3	Very low	31.6	Very low	115 Å²	115	130.9 Å²	130.9	80%	0.804	79%	0.787	S	S	*	*			trans	-95.1	159.4	-171.5	55.3	0	0	0	0	114.5
641	G	28.3	Very low	31.9	Very low	79 Å²	79	135.2 Å²	135.2	81%	0.814	79%	0.786	S	S	*	*			trans	-179.8	87.6	166.6	0	0	0	0	0	118.4
642	F	28.5	Very low	32.1	Very low	185 Å²	185	131.9 Å²	131.9	81%	0.811	77%	0.774	S	S	*	*			trans	-37.6	137.7	167.7	-121.5	-103.9	0	0	0	118.3	V644	F642-V644 HydrophobicContact CD1-CG2 3.81Å; F642-V644 HydrophobicContact CE1-CG2 3.96Å
643	N	31.5	Very low	32.4	Very low	148 Å²	148	132.9 Å²	132.9	79%	0.791	77%	0.767	S	S	*	*				172.5	151.1	125.5	-91.4	-17.9	0	0	0	110.6
644	V	33.7	Very low	32.6	Very low	107 Å²	107	133.4 Å²	133.4	65%	0.648	77%	0.766	S	S	*	*			cis	130.8	118.9	0.1	156	0	0	0	0	109.1	F642	F642-V644 HydrophobicContact CD1-CG2 3.81Å; F642-V644 HydrophobicContact CE1-CG2 3.96Å
645	Q	33.1	Very low	32.9	Very low	168 Å²	168	132.7 Å²	132.7	79%	0.785	76%	0.761	S	S	*	*			trans	-175	146.2	156.5	-104.9	-177.9	-54.4	0	0	106.9
646	E	34.3	Very low	33.3	Very low	168 Å²	168	127.9 Å²	127.9	79%	0.785	75%	0.753	S	S	*	*			cis	-159.4	158.4	-8.1	-152.2	166.7	-103.1	0	0	107.7
647	G	34.5	Very low	33.7	Very low	65 Å²	65	126.2 Å²	126.2	67%	0.67	74%	0.742	S	S	*	*			trans	-158.3	-23.9	-165	0	0	0	0	0	124.5
648	I	38.1	Very low	34.2	Very low	165 Å²	165	128 Å²	128	85%	0.846	75%	0.748	S	S	*	*			trans	65.9	170.5	171.1	-8.5	-174.5	0	0	0	115.7
649	P	39.4	Very low	34.6	Very low	107 Å²	107	128 Å²	128	70%	0.695	75%	0.749	S	S	*	*				-133.2	-171.5	-94.5	45.7	-31.7	0	0	0	119.3
650	S	37	Very low	35.1	Very low	116 Å²	116	124.3 Å²	124.3	81%	0.811	74%	0.738	S	S	*	*			trans	101.2	144.3	148.6	78.7	0	0	0	0	118.7
651	R	34.3	Very low	35.6	Very low	204 Å²	204	127.3 Å²	127.3	77%	0.77	74%	0.739	S	S	*	*			cis	-169.8	169.5	-21.1	-171.9	-161.4	149.8	161.1	-3.9	109	E653	R651-E653 IonicContact CZ-OE1 3.36Å; R651-E653 IonicContact NE-OE1 2.68Å; R651-E653 PolarHBondContact NE-OE1 3.26Å; R651-E653 IonicContact NH2-OE1 2.88Å; R651-E653 PolarHBondContact NH2-OE1 2.91Å
652	V	36.4	Very low	36	Very low	104 Å²	104	126.8 Å²	126.8	63%	0.63	73%	0.734	S	S	*	*			trans	92.4	95.5	160.2	-174.1	0	0	0	0	113.7
653	E	35.4	Very low	36.6	Very low	130 Å²	130	125 Å²	125	61%	0.607	74%	0.738	S	S	*	*				80.9	142.3	86.4	-68.5	161.1	-130.9	0	0	112.4	R651	R651-E653 IonicContact CZ-OE1 3.36Å; R651-E653 IonicContact NE-OE1 2.68Å; R651-E653 PolarHBondContact NE-OE1 3.26Å; R651-E653 IonicContact NH2-OE1 2.88Å; R651-E653 PolarHBondContact NH2-OE1 2.91Å
654	T	34.4	Very low	36.9	Very low	116 Å²	116	122.1 Å²	122.1	71%	0.712	74%	0.735	S	S	*	*			cis	-164.9	153.9	6.4	6.9	0	0	0	0	112.4
655	S	38.6	Very low	37.1	Very low	107 Å²	107	122.5 Å²	122.5	75%	0.748	74%	0.742	S	S	*	*			trans	57.2	150.9	151.3	56.1	0	0	0	0	121
656	S	37.6	Very low	37.2	Very low	110 Å²	110	119.5 Å²	119.5	77%	0.769	74%	0.74	S	S	*	*			cis	179.9	172.4	-12.5	57.8	0	0	0	0	107
657	S	38	Very low	37.8	Very low	90 Å²	90	116.5 Å²	116.5	63%	0.629	74%	0.735	S	S	*	*			cis	-174	174.8	-12.4	40.7	0	0	0	0	108.4
658	T	37.4	Very low	37.8	Very low	131 Å²	131	124.4 Å²	124.4	80%	0.804	75%	0.746	S	S	*	*			trans	63.3	148.5	158.7	45.2	0	0	0	0	118.6
659	S	37.4	Very low	37.5	Very low	102 Å²	102	127.6 Å²	127.6	71%	0.713	75%	0.747	S	S	*	*			cis	175.7	157.4	-14.5	49.7	0	0	0	0	107.5
660	S	40.1	Very low	37.4	Very low	93 Å²	93	127 Å²	127	65%	0.65	75%	0.752	S	S	*	*			cis	-173.9	-166.6	-20.4	53.7	0	0	0	0	105.7
661	E	39.3	Very low	37.1	Very low	178 Å²	178	133.3 Å²	133.3	83%	0.832	76%	0.758	S	S	*	*			cis	-165	155.9	4.2	-145.9	150.9	-64.5	0	0	111.2
662	G	37.9	Very low	37.1	Very low	69 Å²	69	126.9 Å²	126.9	71%	0.711	75%	0.748	S	S	*	*			trans	86.6	154.3	152.4	0	0	0	0	0	119.3
663	V	40.5	Very low	37.1	Very low	147 Å²	147	128.1 Å²	128.1	89%	0.891	75%	0.751	S	S	*	*			cis	-144.4	148.8	-6	176.1	0	0	0	0	110.7
664	A	38.1	Very low	37.1	Very low	87 Å²	87	129.2 Å²	129.2	72%	0.719	76%	0.757	S	S	*	*			trans	-44.7	-179.9	178.5	0	0	0	0	0	118.6
665	S	38.3	Very low	37	Very low	116 Å²	116	131.2 Å²	131.2	81%	0.811	76%	0.762	S	S	*	*			cis	-167.3	172.9	33.3	-96.2	0	0	0	0	110.6
666	S	34.4	Very low	36.9	Very low	105 Å²	105	130.7 Å²	130.7	73%	0.734	76%	0.756	S	S	*	*			cis	-173.5	147.9	-25.1	-174.2	0	0	0	0	109.3
667	P	46.8	Very low	36.7	Very low	105 Å²	105	131.3 Å²	131.3	68%	0.682	76%	0.755	S	S	*	*			trans	-116.2	170.4	-167.2	42.2	-34.1	0	0	0	116.4
668	Y	34.9	Very low	36.3	Very low	231 Å²	231	134.7 Å²	134.7	91%	0.906	77%	0.767	S	S	*	*			trans	-153.5	165	165.1	-105.6	-71.3	0	0	0	114.3
669	R	31.5	Very low	36.2	Very low	231 Å²	231	132.2 Å²	132.2	87%	0.872	77%	0.767	S	S	*	*				-175.6	86.6	-104.9	-178.1	-167.9	173.9	-147.8	1.8	114.2
670	A	36.8	Very low	35.8	Very low	95 Å²	95	133 Å²	133	79%	0.785	77%	0.773	S	S	*	*			trans	-156.5	138.8	166	0	0	0	0	0	110.8
671	R	31.6	Very low	35.3	Very low	248 Å²	248	133.5 Å²	133.5	94%	0.936	78%	0.776	S	S	*	*			cis	73.6	134.8	46.5	-82.6	-160	156	163.4	-6.8	114.2
672	A	34.4	Very low	34.9	Very low	69 Å²	69	132.4 Å²	132.4	57%	0.57	77%	0.771	S	S	*	*			cis	-166.8	179.9	-5.5	0	0	0	0	0	113
673	D	35.7	Very low	34.5	Very low	130 Å²	130	137.1 Å²	137.1	70%	0.695	77%	0.772	S	S	*	*			trans	98.3	103.5	144.8	-62.8	-48.9	0	0	0	123.1
674	Q	35.3	Very low	34.1	Very low	154 Å²	154	140.5 Å²	140.5	72%	0.72	78%	0.775	S	S	*	*				73.6	103.6	124.2	-64	173.5	64	0	0	122.5
675	L	33.2	Very low	33.8	Very low	157 Å²	157	145.3 Å²	145.3	82%	0.822	78%	0.775	S	S	*	*				47.4	154.8	108.3	-63.9	170.3	0	0	0	121.2
676	P	37.1	Very low	33.3	Very low	96 Å²	96	145.6 Å²	145.6	62%	0.623	77%	0.767	S	S	*	*			cis	-144.1	177.9	-26.7	37.7	-18.2	0	0	0	116.6
677	T	32.3	Very low	33.3	Very low	123 Å²	123	146.8 Å²	146.8	76%	0.755	78%	0.776	S	S	*	*			trans	70.4	142.7	149.9	39.6	0	0	0	0	123
678	D	30.6	Very low	32.4	Very low	162 Å²	162	150.1 Å²	150.1	87%	0.866	79%	0.787	S	S	*	*			trans	62.3	123.2	157.1	-61.6	4.7	0	0	0	121.4
679	G	33.7	Very low	32.2	Very low	79 Å²	79	150.3 Å²	150.3	81%	0.814	79%	0.786	S	S	*	*			trans	168.8	113.7	171.8	0	0	0	0	0	112.2
680	S	29.2	Very low	32.1	Very low	119 Å²	119	144.8 Å²	144.8	83%	0.832	78%	0.778	S	S	*	*			trans	-90	150.6	-174	-51.5	0	0	0	0	114.4
681	S	30.7	Very low	32.1	Very low	102 Å²	102	148.1 Å²	148.1	71%	0.713	78%	0.783	S	S	*	*			trans	86.3	147.8	147.3	86.2	0	0	0	0	121.2
682	Q	30.2	Very low	32.1	Very low	156 Å²	156	144.5 Å²	144.5	73%	0.729	78%	0.776	S	S	*	*			trans	72.8	161	158.5	-59.1	-171.2	10	0	0	119.9
683	F	30.2	Very low	32.1	Very low	168 Å²	168	149.7 Å²	149.7	74%	0.737	79%	0.786	S	S	*	*			trans	66.3	109.2	172.7	-54.8	-79.2	0	0	0	118.1
684	F	32.2	Very low	32	Very low	218 Å²	218	150.9 Å²	150.9	96%	0.956	79%	0.787	S	S	*	*				-137.4	131.9	107.2	-102.2	-75	0	0	0	110.6
685	R	31.1	Very low	32	Very low	187 Å²	187	151.5 Å²	151.5	71%	0.706	79%	0.788	S	S	*	*			trans	-151.4	138.4	170.4	-157.6	-161	170.7	142.9	7.6	108.5
686	D	28.7	Very low	32.1	Very low	123 Å²	123	151.4 Å²	151.4	66%	0.658	78%	0.783	S	S	*	*			trans	45.3	115.2	162.4	-55	-27.8	0	0	0	119.2
687	S	33	Very low	32	Very low	130 Å²	130	151.9 Å²	151.9	91%	0.909	79%	0.788	S	S	*	*			trans	-157.9	87.4	140.2	-84.6	0	0	0	0	112.2
688	L	27.4	Very low	32.2	Very low	175 Å²	175	151 Å²	151	92%	0.916	79%	0.787	S	S	*	*			trans	-93.7	115.1	154.8	-86.9	170.9	0	0	0	108.5
689	R	30.9	Very low	32.5	Very low	234 Å²	234	149.7 Å²	149.7	88%	0.883	78%	0.78	S	S	*	*			trans	-169	140.1	148.8	-115.6	175	-177.9	165.9	2.4	114.2
690	T	30.2	Very low	32.6	Very low	115 Å²	115	151.3 Å²	151.3	71%	0.706	78%	0.775	S	S	*	*			trans	44.5	121.5	150.8	51.6	0	0	0	0	119.7
691	D	36.1	Very low	32.9	Very low	166 Å²	166	150.9 Å²	150.9	89%	0.888	77%	0.767	S	S	*	*				-142.8	153.1	105.7	-95.7	-36.5	0	0	0	110.5
692	E	31.3	Very low	33.1	Very low	171 Å²	171	151.9 Å²	151.9	80%	0.799	77%	0.769	S	S	*	*			trans	-121	159.2	173.5	-78.3	-166.4	150	0	0	110.1
693	K	34.8	Very low	33.4	Very low	178 Å²	178	151.7 Å²	151.7	77%	0.774	77%	0.766	S	S	*	*			trans	78.9	156	176.4	-49.1	172.4	175.6	-174.8	0	114
694	E	34.5	Very low	33.8	Very low	156 Å²	156	148.9 Å²	148.9	73%	0.729	76%	0.758	S	S	*	*			cis	-141.3	-174.5	9.2	-146.9	147.6	-124.9	0	0	112.7
695	K	35.2	Very low	34.2	Very low	167 Å²	167	145.3 Å²	145.3	73%	0.726	75%	0.745	S	S	*	*			trans	-40.5	171.5	-176.3	-62.1	169.2	177.5	179.2	0	117.9
696	E	34.2	Very low	34.6	Very low	154 Å²	154	142.5 Å²	142.5	72%	0.72	74%	0.744	S	S	*	*			cis	-168.2	161.5	38.5	-152.7	148.2	-127.3	0	0	114.3
697	S	35.6	Very low	35.1	Very low	106 Å²	106	143 Å²	143	74%	0.741	75%	0.745	S	S	*	*			trans	29.2	150	154.9	59.2	0	0	0	0	122.7
698	S	37.6	Very low	35.3	Very low	104 Å²	104	143.6 Å²	143.6	73%	0.727	73%	0.734	S	S	*	*			cis	-165.7	164.1	-7.2	47.2	0	0	0	0	106.7
699	D	36.6	Very low	35.6	Very low	136 Å²	136	140.8 Å²	140.8	73%	0.727	72%	0.724	S	S	*	*				-171.9	177.7	66.3	-141.9	-50.3	0	0	0	113.2
700	T	35.3	Very low	35.8	Very low	113 Å²	113	133 Å²	133	69%	0.693	70%	0.702	S	S	*	*			trans	-44.3	165.8	179.5	48.4	0	0	0	0	119
701	T	34.6	Very low	35.9	Very low	110 Å²	110	136.3 Å²	136.3	68%	0.675	70%	0.702	S	S	*	*			cis	-161.1	149.3	20.1	-15.5	0	0	0	0	113.7
702	T	35.7	Very low	35.7	Very low	122 Å²	122	138.8 Å²	138.8	75%	0.748	70%	0.698	S	S	*	*			trans	33.2	137.1	149	49.8	0	0	0	0	122
703	K	36.7	Very low	35.7	Very low	152 Å²	152	134.8 Å²	134.8	66%	0.661	69%	0.69	S	S	*	*			cis	-158.1	-162.6	12.9	-136.7	167.6	157.1	-80.6	0	107.3	E705	K703-E705 IonicContact NZ-OE1 3.57Å; K703-E705 PolarHBondContact NZ-OE1 2.79Å
704	D	37.9	Very low	35.6	Very low	109 Å²	109	130.8 Å²	130.8	58%	0.583	68%	0.684	S	S	*	*			cis	-160.9	-174	12.5	-137	-29.9	0	0	0	117
705	E	41.7	Very low	35.6	Very low	143 Å²	143	131.6 Å²	131.6	67%	0.668	69%	0.688	S	S	*	*			trans	-38.9	156.1	167.2	-71.2	154.8	-149.8	0	0	117.9	K703	K703-E705 IonicContact NZ-OE1 3.57Å; K703-E705 PolarHBondContact NZ-OE1 2.79Å
706	D	39.2	Very low	35.4	Very low	128 Å²	128	130 Å²	130	68%	0.684	69%	0.692	S	S	*	*			cis	-162.4	137.1	1.8	-119.6	7.5	0	0	0	117.8
707	I	38.5	Very low	35.2	Very low	133 Å²	133	126 Å²	126	68%	0.682	69%	0.692	S	S	*	*				55.1	110.7	130	-60.5	173.6	0	0	0	126.3
708	E	36.4	Very low	34.9	Very low	144 Å²	144	125.8 Å²	125.8	67%	0.673	70%	0.696	S	S	*	*			trans	47.1	-158.3	141.1	-107.3	-82.2	-122.3	0	0	120.1	T710	E708-T710 WeakPolarHBondContact OE1-CB 3.3Å; E708-T710 PolarHBondContact OE1-OG1 3.18Å; E708-T710 PolarHBondContact OE2-N 3.25Å
709	T	35.2	Very low	34.7	Very low	116 Å²	116	126.2 Å²	126.2	71%	0.712	70%	0.7	S	S	*	*			cis	-144.6	90.9	13.6	-48.7	0	0	0	0	116.5
710	T	33.9	Very low	34.6	Very low	69 Å²	69	126.2 Å²	126.2	42%	0.423	70%	0.698	S	S	.	*				58.7	118.9	127.7	-109.1	0	0	0	0	125.6	E708	E708-T710 WeakPolarHBondContact OE1-CB 3.3Å; E708-T710 PolarHBondContact OE1-OG1 3.18Å; E708-T710 PolarHBondContact OE2-N 3.25Å
711	R	32.6	Very low	34.6	Very low	186 Å²	186	132.3 Å²	132.3	70%	0.702	71%	0.708	S	S	*	*			trans	80.3	136.5	135	-68.3	179.1	-174.1	136.6	3.2	127
712	R	32.8	Very low	34.5	Very low	217 Å²	217	130.9 Å²	130.9	82%	0.819	72%	0.716	S	S	*	*			trans	73.2	155.2	136.8	-75	170.7	-177.4	176.5	-0.2	120
713	S	30.6	Very low	34.5	Very low	88 Å²	88	137.4 Å²	137.4	62%	0.615	73%	0.727	S	S	*	*			cis	-175.7	169.3	-25.4	56.2	0	0	0	0	111.6
714	S	34.1	Very low	34.3	Very low	94 Å²	94	133.7 Å²	133.7	66%	0.657	73%	0.731	S	S	*	*			trans	66.1	154.3	150.9	45.7	0	0	0	0	119.8
715	Q	33.8	Very low	34	Very low	172 Å²	172	134.7 Å²	134.7	80%	0.804	74%	0.741	S	S	*	*			cis	-169.9	155.2	-15.7	-110.8	179.7	-77.3	0	0	112.4
716	V	29.6	Very low	33.4	Very low	134 Å²	134	135.1 Å²	135.1	81%	0.812	75%	0.747	S	S	*	*			trans	68.3	136.9	140.8	171.6	0	0	0	0	122.7
717	G	31.5	Very low	33	Very low	70 Å²	70	136 Å²	136	72%	0.722	75%	0.749	S	S	*	*			trans	123.9	104.4	156.4	0	0	0	0	0	114.2
718	A	29.8	Very low	32.7	Very low	101 Å²	101	139.9 Å²	139.9	84%	0.835	76%	0.755	S	S	*	*			cis	96.8	142.7	26.1	0	0	0	0	0	115.4
719	S	33	Very low	32.3	Very low	114 Å²	114	142.9 Å²	142.9	80%	0.797	77%	0.765	S	S	*	*			trans	86	142.8	172.2	-148.6	0	0	0	0	117.4
720	I	34.7	Very low	32.1	Very low	135 Å²	135	142 Å²	142	69%	0.692	77%	0.765	S	S	*	*			cis	-172.3	153.1	-34.6	-122.3	162	0	0	0	112.5
721	R	33.9	Very low	31.8	Very low	242 Å²	242	147.3 Å²	147.3	91%	0.913	79%	0.786	S	S	*	*			trans	66.9	131.8	161.7	-77.8	163.1	-167.6	177.4	3	122.5
722	G	33.6	Very low	31.6	Very low	80 Å²	80	143.8 Å²	143.8	83%	0.825	79%	0.79	S	S	*	*			trans	177.1	116.2	152.9	0	0	0	0	0	114.6
723	R	35.1	Very low	31.5	Very low	259 Å²	259	139.7 Å²	139.7	98%	0.977	79%	0.789	S	S	*	*			trans	-69.7	150.8	177.8	-62.7	161.5	166.1	153.2	-8.4	111
724	G	31.5	Very low	31.3	Very low	73 Å²	73	142.9 Å²	142.9	75%	0.753	80%	0.799	S	S	*	*			cis	-179.3	-140.5	2.6	0	0	0	0	0	109
725	V	33.4	Very low	31.2	Very low	131 Å²	131	145 Å²	145	79%	0.794	81%	0.808	S	S	*	*			cis	-158.8	102.5	-0.5	-176.2	0	0	0	0	112.1
726	L	29	Very low	31.1	Very low	151 Å²	151	139.7 Å²	139.7	79%	0.791	80%	0.799	S	S	*	*			trans	66.8	147.2	138.3	-147.6	76.5	0	0	0	124.3
727	M	29.6	Very low	31.2	Very low	147 Å²	147	139.5 Å²	139.5	72%	0.724	80%	0.804	S	S	*	*			trans	98.3	121.1	170.1	-62.9	-76.4	-177.6	0	0	114.8
728	R	32	Very low	31.3	Very low	214 Å²	214	145.8 Å²	145.8	81%	0.808	81%	0.806	S	S	*	*			cis	-139	138.4	-10.7	-60.5	179.3	-175.3	151	4.8	107.2
729	K	28.7	Very low	31.2	Very low	207 Å²	207	145.2 Å²	145.2	90%	0.9	81%	0.81	S	S	*	*				50.6	120.4	99.6	-132.5	-175.6	-178.8	-172.9	0	112.8
730	S	29.9	Very low	31.3	Very low	99 Å²	99	145.4 Å²	145.4	69%	0.692	81%	0.811	S	S	*	*			cis	-153	140.9	31.3	43.7	0	0	0	0	117.1
731	M	29	Very low	31.2	Very low	179 Å²	179	150 Å²	150	88%	0.882	82%	0.82	S	S	*	*			trans	67.4	102.5	142.8	-64.9	174.2	67.3	0	0	120.8
732	S	27	Very low	31	Very low	112 Å²	112	143.9 Å²	143.9	78%	0.783	81%	0.814	S	S	*	*			trans	-88.7	160.8	152.8	-47.6	0	0	0	0	111.2
733	V	31.6	Very low	30.9	Very low	131 Å²	131	151.5 Å²	151.5	79%	0.794	82%	0.818	S	S	*	*			trans	-137.6	124.3	157.7	179.6	0	0	0	0	109
734	D	26.1	Very low	30.5	Very low	156 Å²	156	149.9 Å²	149.9	83%	0.834	81%	0.812	S	S	*	*			trans	-85.5	121.9	178.7	-60.2	-81.2	0	0	0	112.9
735	V	32.7	Very low	30.5	Very low	138 Å²	138	152 Å²	152	84%	0.836	81%	0.812	S	S	*	*			trans	-149.2	130.3	150.5	-170.3	0	0	0	0	105.9
736	G	30.9	Very low	30.4	Very low	60 Å²	60	153.1 Å²	153.1	62%	0.619	81%	0.812	S	S	*	*			cis	120.7	104.8	21	0	0	0	0	0	108	R738	G736-R738 PolarHBondContact O-N 3.14Å; G736-R738 VanDerWaalsContact O-N 3.11Å
737	S	31.7	Very low	31	Very low	131 Å²	131	153.5 Å²	153.5	92%	0.916	81%	0.814	S	S	*	*			trans	-54.4	111.7	-160.4	-54.7	0	0	0	0	115.6
738	R	33.8	Very low	32.1	Very low	201 Å²	201	154 Å²	154	76%	0.758	82%	0.818	S	S	*	*			trans	-140.6	125.1	157.6	-93.7	178.3	168.7	167.5	-4.2	108.8	G736 S740	G736-R738 PolarHBondContact O-N 3.14Å; G736-R738 VanDerWaalsContact O-N 3.11Å; R738-S740 PolarHBondContact O-N 3.33Å; R738-S740 VanDerWaalsContact O-N 3.09Å
739	G	28.8	Very low	33.7	Very low	89 Å²	89	149.6 Å²	149.6	92%	0.918	80%	0.801	S	S	*	*			trans	-64.5	109.8	-174.9	0	0	0	0	0	112.1
740	S	34	Very low	36.1	Very low	118 Å²	118	140.4 Å²	140.4	83%	0.825	76%	0.763	S	S	*	*			trans	-84	123.5	167.3	-162.3	0	0	0	0	108.6	R738 S742	R738-S740 PolarHBondContact O-N 3.33Å; R738-S740 VanDerWaalsContact O-N 3.09Å; S740-S742 PolarHBondContact O-N 2.95Å
741	R	32.8	Very low	38.7	Very low	233 Å²	233	137.2 Å²	137.2	88%	0.879	74%	0.741	S	S	*	*			trans	-65.3	119.5	171.5	-74	176.5	171.8	164	-4.9	107.6	R743	R741-R743 PolarHBondContact O-N 3.28Å
742	S	29.4	Very low	41.5	Very low	113 Å²	113	128.7 Å²	128.7	79%	0.79	70%	0.699	S	S	*	*			trans	-57.4	113.8	167	-176.3	0	0	0	0	108.2	S740 R744	S740-S742 PolarHBondContact O-N 2.95Å; S742-R744 PolarHBondContact O-N 3.47Å; S742-R744 VanDerWaalsContact O-N 3.14Å
743	R	32.6	Very low	44.3	Very low	240 Å²	240	124.1 Å²	124.1	91%	0.906	67%	0.666	S	S	*	*			trans	-73.8	100	167.9	-79.6	-177.4	166.9	-173.1	-5.3	106.1	R741	R741-R743 PolarHBondContact O-N 3.28Å
744	R	25.8	Very low	46.9	Very low	225 Å²	225	124 Å²	124	85%	0.849	66%	0.657	S	S	*	*			trans	-51.4	142	157.6	-68.4	-175.1	176	-169.4	-3.6	107.8	S742	S742-R744 PolarHBondContact O-N 3.47Å; S742-R744 VanDerWaalsContact O-N 3.14Å
745	P	31.6	Very low	49.8	Very low	117 Å²	117	120.3 Å²	120.3	76%	0.76	64%	0.635	S	S	*	*			trans	-54.8	146.5	168.9	25.8	-33.5	0	0	0	109	L747	P745-L747 PolarHBondContact O-N 3.21Å; P745-L747 VanDerWaalsContact O-N 3.16Å
746	I	30.7	Very low	52.4	Low	155 Å²	155	115 Å²	115	80%	0.795	60%	0.602	S	S	*	*			trans	-73.3	109.7	171.3	-61.4	173.8	0	0	0	105.4	I748	I746-I748 PolarHBondContact O-N 2.98Å
747	L	41.9	Very low	55.1	Low	159 Å²	159	115 Å²	115	83%	0.832	60%	0.603	S	S	*	*			trans	-57.5	112.3	163.3	-72.3	169.4	0	0	0	106.8	P745 R749	P745-L747 PolarHBondContact O-N 3.21Å; P745-L747 VanDerWaalsContact O-N 3.16Å; L747-R749 PolarHBondContact O-N 3.33Å
748	I	53.6	Low	57.8	Low	157 Å²	157	108.9 Å²	108.9	81%	0.805	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-65.7	118.7	167.6	-62.1	175.1	0	0	0	104.8	I746 S750	I746-I748 PolarHBondContact O-N 2.98Å; I748-S750 PolarHBondContact O-N 3.36Å
749	R	65.2	Low	60.1	Low	121 Å²	121	106.7 Å²	106.7	46%	0.457	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-65.3	135.4	171.3	-77.3	-178.8	161.5	-175.6	-8.1	107.5	L747 E754	L747-R749 PolarHBondContact O-N 3.33Å; R749-E754 HydrophobicContact CB-CG 3.63Å
750	S	79.9	Confident	62.8	Low	14 Å²	14	106.4 Å²	106.4	10%	0.098	54%	0.535	C	S	.	.	P	Polyproline II helix	trans	-58.6	142.4	173.2	57.7	0	0	0	0	110.3	I748 I752 L753 E754 L996 D1000	I748-S750 PolarHBondContact O-N 3.36Å; S750-I752 PolarHBondContact O-N 2.65Å; S750-L753 PolarHBondContact O-N 3.13Å; S750-L753 WeakPolarHBondContact OG-CG 3.38Å; S750-E754 PolarHBondContact O-N 2.74Å; S750-E754 VanDerWaalsContact O-N 3.16Å; S750-L996 VanDerWaalsContact CB-O 3.23Å; S750-L996 WeakPolarHBondContact CB-O 3.42Å; S750-L996 VanDerWaalsContact OG-CD1 3.23Å; S750-L996 WeakPolarHBondContact OG-CD1 3.24Å; S750-L996 WeakPolarHBondContact OG-CG 3.24Å; S750-D1000 WeakPolarHBondContact CA-OD2 3.37Å
751	S	84.9	Confident	65.2	Low	33 Å²	33	101.4 Å²	101.4	23%	0.231	50%	0.5	C	S	.	.	H	α-helix	trans	-57.1	-26.6	179.8	55.7	0	0	0	0	112.3	M755 D1000	S751-M755 WeakPolarHBondContact O-CB 3.48Å; S751-M755 PolarHBondContact O-N 3.48Å; S751-D1000 WeakPolarHBondContact CB-OD1 3.31Å; S751-D1000 PolarHBondContact N-OD2 3.33Å; S751-D1000 VanDerWaalsContact OG-CG 3.3Å; S751-D1000 PolarHBondContact OG-OD1 2.92Å; S751-D1000 PolarHBondContact OG-OD2 3.43Å
752	I	86	Confident	67.7	Low	0 Å²	0	95.8 Å²	95.8	0%	0	48%	0.484	C	S	.	.	H	α-helix	trans	-60.6	-51.9	172.4	-64	-177.8	0	0	0	112.2	S750 M755 L756 V777 M778 A781 L992 L995 L996 P999	S750-I752 PolarHBondContact O-N 2.65Å; I752-M755 PolarHBondContact O-N 2.95Å; I752-L756 HydrophobicContact CG2-CD1 4.11Å; I752-L756 WeakPolarHBondContact O-CB 3.43Å; I752-L756 WeakPolarHBondContact O-CG 3.47Å; I752-L756 PolarHBondContact O-N 2.99Å; I752-V777 HydrophobicContact CG2-CG1 3.82Å; I752-M778 HydrophobicContact CD1-CE 3.56Å; I752-M778 HydrophobicContact CD1-SD 3.51Å; I752-M778 VanDerWaalsContact CD1-SD 3.51Å; I752-A781 HydrophobicContact CG1-CB 4.14Å; I752-L992 HydrophobicContact CG2-CD1 3.77Å; I752-L995 WeakPolarHBondContact CD1-O 3.49Å; I752-L996 WeakPolarHBondContact CD1-O 3.44Å; I752-L996 HydrophobicContact CG2-CD1 4.45Å; I752-P999 HydrophobicContact CD1-CG 3.86Å; I752-P999 HydrophobicContact CG1-CG 4.06Å
753	L	87.6	Confident	70.4	Confident	16 Å²	16	94.3 Å²	94.3	8%	0.084	46%	0.464	C	S	.	.	H	α-helix	trans	-69.8	-37.8	-178.5	-69.6	174.9	0	0	0	111.3	S750 L756 G757 A758 D760 V761 A764 L996	S750-L753 PolarHBondContact O-N 3.13Å; S750-L753 WeakPolarHBondContact OG-CG 3.38Å; L753-L756 PolarHBondContact O-N 3.28Å; L753-G757 PolarHBondContact O-N 2.92Å; L753-G757 VanDerWaalsContact O-N 3.09Å; L753-A758 HydrophobicContact CD2-CB 3.96Å; L753-A758 PolarHBondContact O-N 3.09Å; L753-D760 WeakPolarHBondContact CD2-O 3.29Å; L753-V761 HydrophobicContact CD2-CG2 4.25Å; L753-A764 HydrophobicContact CD2-CB 3.88Å; L753-L996 HydrophobicContact CD1-CD1 4.16Å; L753-L996 HydrophobicContact CD2-CD1 4.49Å; L753-L996 HydrophobicContact CG-CD1 3.98Å
754	E	86	Confident	73	Confident	128 Å²	128	82.9 Å²	82.9	60%	0.598	42%	0.421	S	S	*	.	H	α-helix	trans	-62.9	-44.6	173.9	-60.7	-154.8	145.5	0	0	111.8	R749 S750 L756 G757	R749-E754 HydrophobicContact CB-CG 3.63Å; S750-E754 PolarHBondContact O-N 2.74Å; S750-E754 VanDerWaalsContact O-N 3.16Å; E754-L756 VanDerWaalsContact C-N 3.34Å; E754-L756 PolarHBondContact O-N 3.09Å; E754-G757 PolarHBondContact O-N 2.85Å; E754-G757 VanDerWaalsContact O-N 3.13Å
755	M	85.1	Confident	76	Confident	78 Å²	78	72.5 Å²	72.5	38%	0.384	38%	0.383	S	S	.	.	H	α-helix	trans	-66.1	-32.8	178	178.9	178.7	55.4	0	0	113.2	S751 I752 G757 V777 K780 A781	S751-M755 WeakPolarHBondContact O-CB 3.48Å; S751-M755 PolarHBondContact O-N 3.48Å; I752-M755 PolarHBondContact O-N 2.95Å; M755-G757 VanDerWaalsContact C-N 3.29Å; M755-V777 HydrophobicContact CE-CG1 3.82Å; M755-V777 WeakPolarHBondContact CE-O 3.42Å; M755-K780 HydrophobicContact CE-CB 3.97Å; M755-K780 HydrophobicContact SD-CB 3.49Å; M755-K780 WeakPolarHBondContact SD-CB 3.37Å; M755-K780 HydrophobicContact SD-CD 4.46Å; M755-A781 HydrophobicContact CE-CB 3.9Å
756	L	88.1	Confident	78.5	Confident	26 Å²	26	70.4 Å²	70.4	14%	0.136	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.5	174.9	-69.3	175.5	0	0	0	113.5	I752 L753 E754 A758 A764 Q767 L768 V777	I752-L756 HydrophobicContact CG2-CD1 4.11Å; I752-L756 WeakPolarHBondContact O-CB 3.43Å; I752-L756 WeakPolarHBondContact O-CG 3.47Å; I752-L756 PolarHBondContact O-N 2.99Å; L753-L756 PolarHBondContact O-N 3.28Å; E754-L756 VanDerWaalsContact C-N 3.34Å; E754-L756 PolarHBondContact O-N 3.09Å; L756-A758 HydrophobicContact CB-CB 4.24Å; L756-A758 PolarHBondContact O-N 2.76Å; L756-A764 HydrophobicContact CD1-CB 3.82Å; L756-Q767 PolarHBondContact O-NE2 3.47Å; L756-L768 HydrophobicContact CD1-CD1 4.05Å; L756-L768 HydrophobicContact CD2-CD2 4.31Å; L756-V777 HydrophobicContact CD1-CG1 4.18Å; L756-V777 HydrophobicContact CD1-CG2 4.32Å; L756-V777 HydrophobicContact CD2-CG2 3.89Å; L756-V777 HydrophobicContact CG-CG2 4.46Å
757	G	87.6	Confident	81.1	Confident	62 Å²	62	67.6 Å²	67.6	64%	0.639	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	31.3	-175.4	0	0	0	0	0	112.9	L753 E754 M755	L753-G757 PolarHBondContact O-N 2.92Å; L753-G757 VanDerWaalsContact O-N 3.09Å; E754-G757 PolarHBondContact O-N 2.85Å; E754-G757 VanDerWaalsContact O-N 3.13Å; M755-G757 VanDerWaalsContact C-N 3.29Å
758	A	88.4	Confident	83.1	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.008	32%	0.317	C	S	.	.			trans	-104.4	146.7	-171.9	0	0	0	0	0	112.2	L753 L756 H763 A764	L753-A758 HydrophobicContact CD2-CB 3.96Å; L753-A758 PolarHBondContact O-N 3.09Å; L756-A758 HydrophobicContact CB-CB 4.24Å; L756-A758 PolarHBondContact O-N 2.76Å; A758-H763 WeakPolarHBondContact CA-ND1 3.47Å; A758-H763 HydrophobicContact CB-CB 4.43Å; A758-H763 WeakPolarHBondContact CB-ND1 3.18Å; A758-A764 HydrophobicContact CB-CB 3.81Å
759	E	83.1	Confident	84.2	Confident	155 Å²	155	56.1 Å²	56.1	72%	0.724	30%	0.304	S	S	*	.	S	Bend	trans	-87.5	-30.5	177.1	-55.5	-157.6	134.7	0	0	112.4
760	D	84.9	Confident	85.3	Confident	83 Å²	83	52.9 Å²	52.9	44%	0.444	30%	0.298	S	S	.	.	S	Bend	trans	-146.1	173	177	61.9	35.6	0	0	0	111.7	L753 H762 H763 A764	L753-D760 WeakPolarHBondContact CD2-O 3.29Å; D760-H762 VanDerWaalsContact C-N 3.33Å; D760-H762 PolarHBondContact O-N 3.44Å; D760-H762 WeakPolarHBondContact OD1-CB 3.23Å; D760-H762 PolarHBondContact OD1-N 2.83Å; D760-H762 VanDerWaalsContact OD1-N 3.09Å; D760-H763 WeakPolarHBondContact OD1-CB 3.22Å; D760-H763 PolarHBondContact OD1-N 3.5Å; D760-A764 PolarHBondContact O-N 3.39Å; D760-A764 VanDerWaalsContact O-N 3.13Å
761	V	84.9	Confident	85.8	Confident	14 Å²	14	53.2 Å²	53.2	9%	0.085	30%	0.298	C	S	.	.	H	α-helix	trans	-65.9	-31.6	178	162.5	0	0	0	0	112.3	L753 A764 V765 L992 E993 L996	L753-V761 HydrophobicContact CD2-CG2 4.25Å; V761-A764 PolarHBondContact O-N 2.95Å; V761-V765 HydrophobicContact CG1-CG2 3.9Å; V761-V765 WeakPolarHBondContact O-CB 3.48Å; V761-V765 WeakPolarHBondContact O-CG2 3.48Å; V761-V765 PolarHBondContact O-N 3.31Å; V761-L992 HydrophobicContact CG1-CB 4.38Å; V761-L992 HydrophobicContact CG1-CD2 4.22Å; V761-L992 HydrophobicContact CG2-CD2 4.46Å; V761-E993 VanDerWaalsContact CB-OE2 3.32Å; V761-E993 WeakPolarHBondContact CB-OE2 3.31Å; V761-E993 WeakPolarHBondContact CG1-OE2 3.46Å; V761-E993 WeakPolarHBondContact CG2-OE2 3.41Å; V761-L996 HydrophobicContact CG2-CD1 3.87Å; V761-L996 HydrophobicContact CG2-CD2 4.17Å
762	H	84.9	Confident	86.1	Confident	115 Å²	115	56.9 Å²	56.9	53%	0.532	32%	0.315	S	S	.	.	H	α-helix	trans	-64.4	-44.9	178	-174.9	-87.3	0	0	0	111.8	D760 V765 S766	D760-H762 VanDerWaalsContact C-N 3.33Å; D760-H762 PolarHBondContact O-N 3.44Å; D760-H762 WeakPolarHBondContact OD1-CB 3.23Å; D760-H762 PolarHBondContact OD1-N 2.83Å; D760-H762 VanDerWaalsContact OD1-N 3.09Å; H762-V765 PolarHBondContact O-N 3.34Å; H762-S766 PolarHBondContact O-N 2.97Å
763	H	86.5	Confident	86.4	Confident	81 Å²	81	60 Å²	60	38%	0.375	33%	0.33	S	S	.	.	H	α-helix	trans	-64.8	-39.7	173.7	-179.7	-98.1	0	0	0	111.9	A758 D760 S766 Q767	A758-H763 WeakPolarHBondContact CA-ND1 3.47Å; A758-H763 HydrophobicContact CB-CB 4.43Å; A758-H763 WeakPolarHBondContact CB-ND1 3.18Å; D760-H763 WeakPolarHBondContact OD1-CB 3.22Å; D760-H763 PolarHBondContact OD1-N 3.5Å; H763-S766 WeakPolarHBondContact O-CB 3.44Å; H763-S766 PolarHBondContact O-N 3.42Å; H763-S766 PolarHBondContact O-OG 2.89Å; H763-Q767 PolarHBondContact CE1-NE2 3.13Å
764	A	87.5	Confident	86.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.6	-45	173.9	0	0	0	0	0	112	L753 L756 A758 D760 V761 S766 Q767 L768 L992	L753-A764 HydrophobicContact CD2-CB 3.88Å; L756-A764 HydrophobicContact CD1-CB 3.82Å; A758-A764 HydrophobicContact CB-CB 3.81Å; D760-A764 PolarHBondContact O-N 3.39Å; D760-A764 VanDerWaalsContact O-N 3.13Å; V761-A764 PolarHBondContact O-N 2.95Å; A764-S766 VanDerWaalsContact C-N 3.27Å; A764-S766 PolarHBondContact O-N 3.04Å; A764-Q767 WeakPolarHBondContact O-CB 3.4Å; A764-Q767 PolarHBondContact O-N 3.42Å; A764-L768 PolarHBondContact O-N 3.43Å; A764-L992 HydrophobicContact CB-CD2 3.48Å; A764-L992 VanDerWaalsContact CB-CD2 3.48Å
765	V	86.8	Confident	86.8	Confident	8 Å²	8	53.3 Å²	53.3	5%	0.048	30%	0.298	C	S	.	.	H	α-helix	trans	-66.9	-26.2	176.9	173.8	0	0	0	0	111.9	V761 H762 Q767 L768 K985 A989 L992	V761-V765 HydrophobicContact CG1-CG2 3.9Å; V761-V765 WeakPolarHBondContact O-CB 3.48Å; V761-V765 WeakPolarHBondContact O-CG2 3.48Å; V761-V765 PolarHBondContact O-N 3.31Å; H762-V765 PolarHBondContact O-N 3.34Å; V765-Q767 PolarHBondContact O-N 3.06Å; V765-L768 PolarHBondContact O-N 3.06Å; V765-K985 HydrophobicContact CG1-CB 3.84Å; V765-K985 HydrophobicContact CG1-CD 4.16Å; V765-K985 HydrophobicContact CG1-CG 4.44Å; V765-K985 PolarHBondContact O-NZ 3.11Å; V765-A989 HydrophobicContact CG1-CB 4.27Å; V765-A989 HydrophobicContact CG2-CB 4.01Å; V765-L992 HydrophobicContact CG2-CB 4.35Å; V765-L992 HydrophobicContact CG2-CD2 3.98Å
766	S	85.8	Confident	87.1	Confident	72 Å²	72	53 Å²	53	50%	0.503	30%	0.298	S	S	.	.	H	α-helix	trans	-58.6	-38.4	170.3	84.2	0	0	0	0	111.5	H762 H763 A764 K985	H762-S766 PolarHBondContact O-N 2.97Å; H763-S766 WeakPolarHBondContact O-CB 3.44Å; H763-S766 PolarHBondContact O-N 3.42Å; H763-S766 PolarHBondContact O-OG 2.89Å; A764-S766 VanDerWaalsContact C-N 3.27Å; A764-S766 PolarHBondContact O-N 3.04Å; S766-K985 PolarHBondContact O-NZ 3.38Å
767	Q	84.2	Confident	87.2	Confident	96 Å²	96	52 Å²	52	45%	0.449	29%	0.293	S	S	.	.	H	α-helix	trans	-78.8	-30.6	179.8	-57	-178.6	52.9	0	0	113.9	L756 H763 A764 V765	L756-Q767 PolarHBondContact O-NE2 3.47Å; H763-Q767 PolarHBondContact CE1-NE2 3.13Å; A764-Q767 WeakPolarHBondContact O-CB 3.4Å; A764-Q767 PolarHBondContact O-N 3.42Å; V765-Q767 PolarHBondContact O-N 3.06Å
768	L	84.7	Confident	87.3	Confident	12 Å²	12	49 Å²	49	6%	0.063	26%	0.263	C	S	.	.			trans	-95.2	120.3	-177.1	-55.6	176.5	0	0	0	111	L756 A764 V765 E773 V774 V777 K985 L992	L756-L768 HydrophobicContact CD1-CD1 4.05Å; L756-L768 HydrophobicContact CD2-CD2 4.31Å; A764-L768 PolarHBondContact O-N 3.43Å; V765-L768 PolarHBondContact O-N 3.06Å; L768-E773 HydrophobicContact CB-CB 4.4Å; L768-E773 HydrophobicContact CD2-CB 4.05Å; L768-V774 HydrophobicContact CD1-CG2 3.96Å; L768-V777 HydrophobicContact CD1-CG2 4.2Å; L768-V777 HydrophobicContact CD2-CG2 3.76Å; L768-K985 VanDerWaalsContact O-CD 3.25Å; L768-K985 WeakPolarHBondContact O-CD 3.38Å; L768-K985 PolarHBondContact O-NZ 2.82Å; L768-L992 HydrophobicContact CD1-CD1 4.13Å; L768-L992 HydrophobicContact CD1-CD2 4.12Å
769	A	75.8	Confident	87.4	Confident	63 Å²	63	54.4 Å²	54.4	52%	0.521	28%	0.283	S	S	.	.			trans	-92.2	-18.7	-178	0	0	0	0	0	114.3	E773	A769-E773 PolarHBondContact N-OE2 3.44Å
770	T	89.5	Confident	87.8	Confident	54 Å²	54	54.4 Å²	54.4	33%	0.331	28%	0.281	S	S	.	.	S	Bend	trans	-144	159.3	-171	62.4	0	0	0	0	113.7	D772 E773 V774	T770-D772 PolarHBondContact O-N 3.37Å; T770-E773 WeakPolarHBondContact CB-OE1 3.49Å; T770-E773 WeakPolarHBondContact CG2-OE1 3.44Å; T770-E773 PolarHBondContact N-OE1 3Å; T770-E773 WeakPolarHBondContact O-CB 3.36Å; T770-E773 PolarHBondContact O-N 3.01Å; T770-E773 VanDerWaalsContact O-N 3.1Å; T770-E773 VanDerWaalsContact OG1-CD 3.28Å; T770-E773 WeakPolarHBondContact OG1-CG 3.28Å; T770-E773 PolarHBondContact OG1-N 2.83Å; T770-E773 VanDerWaalsContact OG1-N 3.15Å; T770-E773 PolarHBondContact OG1-OE1 3.4Å; T770-V774 PolarHBondContact O-N 2.83Å; T770-V774 VanDerWaalsContact O-N 3.13Å
771	L	90.1	Very high	87.9	Confident	20 Å²	20	51.4 Å²	51.4	11%	0.105	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-28.5	170.4	-61.1	-178.1	0	0	0	112.5	E773 V774 S775 I828 K831 E987 A991	L771-E773 VanDerWaalsContact C-N 3.33Å; L771-V774 PolarHBondContact O-N 3.16Å; L771-S775 WeakPolarHBondContact O-CB 3.46Å; L771-S775 PolarHBondContact O-N 2.91Å; L771-S775 PolarHBondContact O-OG 3.19Å; L771-I828 HydrophobicContact CD1-CG2 4.46Å; L771-I828 HydrophobicContact CD2-CG2 4.19Å; L771-K831 HydrophobicContact CD1-CB 4.01Å; L771-K831 HydrophobicContact CD1-CD 3.96Å; L771-E987 HydrophobicContact CD2-CB 4.2Å; L771-E987 WeakPolarHBondContact CD2-O 3.21Å; L771-A991 HydrophobicContact CD2-CB 3.59Å
772	D	91.4	Very high	88	Confident	111 Å²	111	52 Å²	52	59%	0.594	28%	0.277	S	S	*	.	H	α-helix	trans	-65.3	-37.2	172.3	-69	-47.3	0	0	0	111.3	T770 S775 N776	T770-D772 PolarHBondContact O-N 3.37Å; D772-S775 WeakPolarHBondContact O-CB 3.37Å; D772-S775 PolarHBondContact O-N 3.31Å; D772-N776 WeakPolarHBondContact O-CB 3.33Å; D772-N776 PolarHBondContact O-N 2.91Å; D772-N776 PolarHBondContact O-ND2 3.3Å
773	E	91.2	Very high	88.2	Confident	65 Å²	65	46.6 Å²	46.6	30%	0.304	25%	0.252	S	S	.	.	H	α-helix	trans	-68.6	-40.9	173.8	-73.2	156.5	-114.5	0	0	112.3	L768 A769 T770 L771 S775 N776 V777	L768-E773 HydrophobicContact CB-CB 4.4Å; L768-E773 HydrophobicContact CD2-CB 4.05Å; A769-E773 PolarHBondContact N-OE2 3.44Å; T770-E773 WeakPolarHBondContact CB-OE1 3.49Å; T770-E773 WeakPolarHBondContact CG2-OE1 3.44Å; T770-E773 PolarHBondContact N-OE1 3Å; T770-E773 WeakPolarHBondContact O-CB 3.36Å; T770-E773 PolarHBondContact O-N 3.01Å; T770-E773 VanDerWaalsContact O-N 3.1Å; T770-E773 VanDerWaalsContact OG1-CD 3.28Å; T770-E773 WeakPolarHBondContact OG1-CG 3.28Å; T770-E773 PolarHBondContact OG1-N 2.83Å; T770-E773 VanDerWaalsContact OG1-N 3.15Å; T770-E773 PolarHBondContact OG1-OE1 3.4Å; L771-E773 VanDerWaalsContact C-N 3.33Å; E773-S775 VanDerWaalsContact C-N 3.32Å; E773-S775 PolarHBondContact O-N 2.96Å; E773-N776 CarbonylContact O-C 3.53Å; E773-N776 PolarHBondContact O-N 3.4Å; E773-V777 WeakPolarHBondContact O-CG2 3.49Å; E773-V777 PolarHBondContact O-N 3.29Å
774	V	90.5	Very high	88.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.9	-46.4	170.1	179.8	0	0	0	0	110.3	L768 T770 L771 N776 V777 M778 T832 A991 L992	L768-V774 HydrophobicContact CD1-CG2 3.96Å; T770-V774 PolarHBondContact O-N 2.83Å; T770-V774 VanDerWaalsContact O-N 3.13Å; L771-V774 PolarHBondContact O-N 3.16Å; V774-N776 VanDerWaalsContact C-N 3.32Å; V774-N776 PolarHBondContact O-N 3.08Å; V774-V777 WeakPolarHBondContact O-CA 3.49Å; V774-V777 WeakPolarHBondContact O-CB 3.36Å; V774-V777 PolarHBondContact O-N 3.08Å; V774-V777 VanDerWaalsContact O-N 3.08Å; V774-M778 HydrophobicContact CG1-CE 3.78Å; V774-M778 WeakPolarHBondContact O-CG 3.47Å; V774-M778 PolarHBondContact O-N 2.97Å; V774-T832 HydrophobicContact CB-CG2 4.23Å; V774-T832 HydrophobicContact CG1-CG2 3.8Å; V774-A991 HydrophobicContact CG1-CB 4.22Å; V774-L992 HydrophobicContact CG1-CD1 4.14Å
775	S	91.7	Very high	88.3	Confident	3 Å²	3	50.2 Å²	50.2	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-60.9	-39.3	175.9	-53.6	0	0	0	0	112.2	L771 D772 E773 V777 M778 R779 T832 F836	L771-S775 WeakPolarHBondContact O-CB 3.46Å; L771-S775 PolarHBondContact O-N 2.91Å; L771-S775 PolarHBondContact O-OG 3.19Å; D772-S775 WeakPolarHBondContact O-CB 3.37Å; D772-S775 PolarHBondContact O-N 3.31Å; E773-S775 VanDerWaalsContact C-N 3.32Å; E773-S775 PolarHBondContact O-N 2.96Å; S775-V777 VanDerWaalsContact C-N 3.32Å; S775-V777 PolarHBondContact O-N 3.37Å; S775-M778 PolarHBondContact O-N 3.36Å; S775-R779 PolarHBondContact O-N 3.41Å; S775-T832 PolarHBondContact OG-O 3.1Å; S775-F836 WeakPolarHBondContact O-CZ 3.42Å
776	N	91	Very high	88.5	Confident	71 Å²	71	49.8 Å²	49.8	38%	0.38	27%	0.269	S	S	.	.	H	α-helix	trans	-71	-26.1	175.9	-72	-40.9	0	0	0	112.8	D772 E773 V774 R779 K780	D772-N776 WeakPolarHBondContact O-CB 3.33Å; D772-N776 PolarHBondContact O-N 2.91Å; D772-N776 PolarHBondContact O-ND2 3.3Å; E773-N776 CarbonylContact O-C 3.53Å; E773-N776 PolarHBondContact O-N 3.4Å; V774-N776 VanDerWaalsContact C-N 3.32Å; V774-N776 PolarHBondContact O-N 3.08Å; N776-R779 PolarHBondContact OD1-NH1 3.19Å; N776-K780 WeakPolarHBondContact O-CD 3.38Å; N776-K780 VanDerWaalsContact O-CG 3.26Å; N776-K780 WeakPolarHBondContact O-CG 3.26Å; N776-K780 PolarHBondContact O-N 2.85Å
777	V	91	Very high	88.8	Confident	5 Å²	5	46.5 Å²	46.5	3%	0.03	25%	0.245	C	C	.	.	H	α-helix	trans	-69.4	-49.9	169.5	162.2	0	0	0	0	110.5	I752 M755 L756 L768 E773 V774 S775 R779 K780 A781	I752-V777 HydrophobicContact CG2-CG1 3.82Å; M755-V777 HydrophobicContact CE-CG1 3.82Å; M755-V777 WeakPolarHBondContact CE-O 3.42Å; L756-V777 HydrophobicContact CD1-CG1 4.18Å; L756-V777 HydrophobicContact CD1-CG2 4.32Å; L756-V777 HydrophobicContact CD2-CG2 3.89Å; L756-V777 HydrophobicContact CG-CG2 4.46Å; L768-V777 HydrophobicContact CD1-CG2 4.2Å; L768-V777 HydrophobicContact CD2-CG2 3.76Å; E773-V777 WeakPolarHBondContact O-CG2 3.49Å; E773-V777 PolarHBondContact O-N 3.29Å; V774-V777 WeakPolarHBondContact O-CA 3.49Å; V774-V777 WeakPolarHBondContact O-CB 3.36Å; V774-V777 PolarHBondContact O-N 3.08Å; V774-V777 VanDerWaalsContact O-N 3.08Å; S775-V777 VanDerWaalsContact C-N 3.32Å; S775-V777 PolarHBondContact O-N 3.37Å; V777-R779 VanDerWaalsContact C-N 3.25Å; V777-R779 PolarHBondContact O-N 3.22Å; V777-K780 PolarHBondContact O-N 3.33Å; V777-A781 PolarHBondContact O-N 2.94Å
778	M	90.2	Very high	89.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-54.3	-41.8	177.4	-60.8	-56.6	152.1	0	0	112.4	I752 V774 S775 K780 A781 G782 L783 F836 L992 L995 P999	I752-M778 HydrophobicContact CD1-CE 3.56Å; I752-M778 HydrophobicContact CD1-SD 3.51Å; I752-M778 VanDerWaalsContact CD1-SD 3.51Å; V774-M778 HydrophobicContact CG1-CE 3.78Å; V774-M778 WeakPolarHBondContact O-CG 3.47Å; V774-M778 PolarHBondContact O-N 2.97Å; S775-M778 PolarHBondContact O-N 3.36Å; M778-K780 PolarHBondContact O-N 3.4Å; M778-A781 PolarHBondContact O-N 2.76Å; M778-G782 PolarHBondContact O-N 2.89Å; M778-L783 HydrophobicContact CB-CB 4.48Å; M778-L783 HydrophobicContact CB-CD2 4.26Å; M778-L783 WeakPolarHBondContact O-CB 3.49Å; M778-L783 PolarHBondContact O-N 3.47Å; M778-L783 VanDerWaalsContact O-N 3.15Å; M778-F836 HydrophobicContact CB-CE2 4.03Å; M778-F836 HydrophobicContact CB-CZ 3.72Å; M778-L992 HydrophobicContact CE-CD1 3.91Å; M778-L995 HydrophobicContact CE-CB 3.36Å; M778-L995 HydrophobicContact CE-CD1 4.02Å; M778-L995 HydrophobicContact CE-CG 4.32Å; M778-L995 HydrophobicContact CG-CD1 4.22Å; M778-L995 HydrophobicContact SD-CB 3.76Å; M778-L995 HydrophobicContact SD-CD1 4.35Å; M778-P999 HydrophobicContact SD-CG 4.09Å
779	R	90.2	Very high	89.7	Confident	115 Å²	115	41.8 Å²	41.8	43%	0.434	22%	0.223	S	C	.	.	H	α-helix	trans	-67.6	-32.5	177.8	-160.4	178	-56.7	102.8	6.1	113.4	S775 N776 V777 F836	S775-R779 PolarHBondContact O-N 3.41Å; N776-R779 PolarHBondContact OD1-NH1 3.19Å; V777-R779 VanDerWaalsContact C-N 3.25Å; V777-R779 PolarHBondContact O-N 3.22Å; R779-F836 HydrophobicContact CB-CE1 3.85Å; R779-F836 HydrophobicContact CB-CZ 3.94Å; R779-F836 HydrophobicContact CG-CE1 4.11Å
780	K	90.1	Very high	90.7	Very high	155 Å²	155	38.8 Å²	38.8	67%	0.674	20%	0.198	S	C	*	.	H	α-helix	trans	-75.1	-32.9	174.9	-71.1	167.5	-178.2	175.7	0	112.4	M755 N776 V777 M778 G782	M755-K780 HydrophobicContact CE-CB 3.97Å; M755-K780 HydrophobicContact SD-CB 3.49Å; M755-K780 WeakPolarHBondContact SD-CB 3.37Å; M755-K780 HydrophobicContact SD-CD 4.46Å; N776-K780 WeakPolarHBondContact O-CD 3.38Å; N776-K780 VanDerWaalsContact O-CG 3.26Å; N776-K780 WeakPolarHBondContact O-CG 3.26Å; N776-K780 PolarHBondContact O-N 2.85Å; V777-K780 PolarHBondContact O-N 3.33Å; M778-K780 PolarHBondContact O-N 3.4Å; K780-G782 PolarHBondContact O-N 2.68Å
781	A	88.8	Confident	91.1	Very high	19 Å²	19	36.2 Å²	36.2	16%	0.157	18%	0.183	C	C	.	.	H	α-helix	trans	-71.4	-10.8	174.4	0	0	0	0	0	113.2	I752 M755 V777 M778 P999	I752-A781 HydrophobicContact CG1-CB 4.14Å; M755-A781 HydrophobicContact CE-CB 3.9Å; V777-A781 PolarHBondContact O-N 2.94Å; M778-A781 PolarHBondContact O-N 2.76Å; A781-P999 HydrophobicContact CB-CB 3.56Å; A781-P999 HydrophobicContact CB-CG 3.6Å
782	G	86	Confident	91.5	Very high	28 Å²	28	35.3 Å²	35.3	29%	0.289	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	113.5	6.4	169.9	0	0	0	0	0	115.7	M778 K780 E784 Y1002	M778-G782 PolarHBondContact O-N 2.89Å; K780-G782 PolarHBondContact O-N 2.68Å; G782-E784 PolarHBondContact O-N 3.04Å; G782-Y1002 WeakPolarHBondContact O-CD1 3.08Å; G782-Y1002 WeakPolarHBondContact O-CE1 3.21Å
783	L	89.6	Confident	91.8	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.149	C	C	.	.			trans	-69.7	115.4	172.1	-174.6	64.2	0	0	0	109.9	M778 F836 Y912 I998 Y1002	M778-L783 HydrophobicContact CB-CB 4.48Å; M778-L783 HydrophobicContact CB-CD2 4.26Å; M778-L783 WeakPolarHBondContact O-CB 3.49Å; M778-L783 PolarHBondContact O-N 3.47Å; M778-L783 VanDerWaalsContact O-N 3.15Å; L783-F836 HydrophobicContact CB-CD1 4.36Å; L783-F836 HydrophobicContact CB-CE1 4.13Å; L783-F836 HydrophobicContact CD2-CB 4.44Å; L783-F836 HydrophobicContact CD2-CD1 3.9Å; L783-F836 HydrophobicContact CD2-CD2 3.97Å; L783-F836 HydrophobicContact CD2-CE1 4.09Å; L783-F836 HydrophobicContact CD2-CE2 4.16Å; L783-F836 HydrophobicContact CD2-CG 3.83Å; L783-F836 HydrophobicContact CD2-CZ 4.21Å; L783-F836 HydrophobicContact CG-CD1 3.79Å; L783-F836 HydrophobicContact CG-CE1 4.04Å; L783-F836 HydrophobicContact CG-CG 4.17Å; L783-F836 VanDerWaalsContact O-CE1 3.25Å; L783-F836 WeakPolarHBondContact O-CE1 3.2Å; L783-Y912 HydrophobicContact CD1-CD1 4.04Å; L783-Y912 HydrophobicContact CD1-CE1 3.71Å; L783-I998 HydrophobicContact CD1-CG2 4.46Å; L783-I998 HydrophobicContact CD2-CG2 4.31Å; L783-Y1002 HydrophobicContact CD1-CD1 4.27Å; L783-Y1002 HydrophobicContact CD1-CD2 4.36Å; L783-Y1002 HydrophobicContact CD1-CG 4.14Å
784	E	87.7	Confident	92	Very high	133 Å²	133	26.9 Å²	26.9	62%	0.621	14%	0.135	S	C	*	.			trans	-96.8	-50.8	-178.1	-69.3	159.9	-161	0	0	112.1	G782 Y1002 K1006	G782-E784 PolarHBondContact O-N 3.04Å; E784-Y1002 HydrophobicContact CB-CE1 4.47Å; E784-Y1002 PolarHBondContact OE2-OH 2.92Å; E784-K1006 IonicContact OE1-NZ 3.68Å; E784-K1006 PolarHBondContact OE1-NZ 3.08Å; E784-K1006 IonicContact OE2-NZ 3.65Å; E784-K1006 PolarHBondContact OE2-NZ 3.39Å
785	S	88.7	Confident	92.2	Very high	23 Å²	23	27 Å²	27	16%	0.161	14%	0.136	C	C	.	.			trans	-156.9	144.9	179.2	65	0	0	0	0	111.9	F836	S785-F836 CarbonylContact C-O 3.57Å; S785-F836 WeakPolarHBondContact CA-O 3.38Å
786	S	91	Very high	92.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.			trans	-149.8	129.8	179.2	57.1	0	0	0	0	111.5	F836 S837 Y912	S786-F836 PolarHBondContact N-O 2.85Å; S786-F836 WeakPolarHBondContact OG-CB 3.38Å; S786-S837 WeakPolarHBondContact O-CA 3.35Å; S786-Y912 CarbonylContact C-O 3.55Å; S786-Y912 WeakPolarHBondContact CA-O 3.21Å
787	N	91.6	Very high	92.4	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	145	168.2	-66	-17.9	0	0	0	109.9	S838 S839 E905 D911 Y912 H913 I914	N787-S838 WeakPolarHBondContact OD1-CB 3.04Å; N787-S838 PolarHBondContact OD1-OG 2.8Å; N787-S839 WeakPolarHBondContact OD1-CB 3.29Å; N787-S839 PolarHBondContact OD1-N 2.86Å; N787-S839 PolarHBondContact OD1-OG 2.91Å; N787-E905 PolarHBondContact ND2-OE2 3.27Å; N787-D911 WeakPolarHBondContact ND2-CB 3.45Å; N787-D911 PolarHBondContact ND2-OD2 2.83Å; N787-Y912 PolarHBondContact N-O 2.94Å; N787-H913 WeakPolarHBondContact O-CA 3.44Å; N787-I914 PolarHBondContact O-N 2.79Å
788	L	93.4	Very high	92.7	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.031	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.4	-169.7	-55.9	-179.7	0	0	0	112.5	L833 I842 A843 I914	L788-L833 HydrophobicContact CD1-CB 3.6Å; L788-L833 HydrophobicContact CD2-CB 3.92Å; L788-L833 HydrophobicContact CD2-CD1 3.79Å; L788-L833 HydrophobicContact CD2-CG 4.42Å; L788-L833 HydrophobicContact CG-CB 4.4Å; L788-I842 HydrophobicContact CB-CG1 4.32Å; L788-I842 HydrophobicContact CB-CG2 4.11Å; L788-I842 HydrophobicContact CD1-CD1 4.28Å; L788-I842 WeakPolarHBondContact O-CA 2.99Å; L788-A843 PolarHBondContact O-N 2.95Å; L788-A843 VanDerWaalsContact O-N 3.13Å; L788-I914 HydrophobicContact CD2-CB 4.08Å; L788-I914 HydrophobicContact CD2-CD1 4.42Å
789	I	95.4	Very high	92.8	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.4	175.6	-52	170.2	0	0	0	107.6	A843 Y845 I901 H913 I914 L915 V916	I789-A843 CarbonylContact C-O 3.49Å; I789-A843 WeakPolarHBondContact CA-O 3.49Å; I789-A843 HydrophobicContact CG1-CB 4.36Å; I789-A843 HydrophobicContact CG2-CB 4.27Å; I789-Y845 HydrophobicContact CG2-CD2 4.29Å; I789-I901 HydrophobicContact CD1-CB 4.25Å; I789-I901 HydrophobicContact CD1-CD1 3.96Å; I789-I901 HydrophobicContact CD1-CG2 4.06Å; I789-I901 HydrophobicContact CG1-CD1 4.39Å; I789-I901 HydrophobicContact CG2-CD1 4.49Å; I789-H913 HydrophobicContact CD1-CB 4.43Å; I789-I914 PolarHBondContact N-O 3.29Å; I789-L915 HydrophobicContact CB-CD1 4.05Å; I789-L915 HydrophobicContact CG2-CD1 3.74Å; I789-L915 CarbonylContact O-C 3.25Å; I789-L915 WeakPolarHBondContact O-CA 3.49Å; I789-V916 PolarHBondContact O-N 3.27Å
790	F	96.8	Very high	92.9	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133	170	-77.9	-92	0	0	0	110.6	I826 I842 A843 A844 Y845 V872 V916	F790-I826 HydrophobicContact CD1-CG1 4.24Å; F790-I826 HydrophobicContact CE1-CG1 4.24Å; F790-I842 HydrophobicContact CD2-CG2 3.61Å; F790-I842 HydrophobicContact CE2-CG2 3.98Å; F790-A843 PolarHBondContact N-O 3.21Å; F790-A844 CarbonylContact O-C 3.42Å; F790-A844 WeakPolarHBondContact O-CA 3.3Å; F790-Y845 PolarHBondContact O-N 2.92Å; F790-V872 HydrophobicContact CD2-CG1 4.46Å; F790-V916 CarbonylContact C-O 3.51Å; F790-V916 WeakPolarHBondContact CA-O 3.45Å; F790-V916 HydrophobicContact CD1-CB 3.93Å; F790-V916 HydrophobicContact CD1-CG1 4Å; F790-V916 HydrophobicContact CE1-CB 4Å; F790-V916 HydrophobicContact CE1-CG1 3.88Å; F790-V916 HydrophobicContact CE1-CG2 4.43Å
791	G	97.5	Very high	93.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.3	165	0	0	0	0	0	110.4	Y845 V916 V918	G791-Y845 CarbonylContact C-O 3.5Å; G791-Y845 WeakPolarHBondContact CA-O 3.41Å; G791-V916 PolarHBondContact N-O 3.09Å; G791-V918 PolarHBondContact O-N 3.4Å
792	I	97.7	Very high	93.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.6	-179.9	-54.4	-58.1	0	0	0	108.4	Y794 Y822 I826 Y845 G846 F847 L860 Y876 V918	I792-Y794 HydrophobicContact CB-CD2 4.33Å; I792-Y794 HydrophobicContact CB-CE2 3.77Å; I792-Y794 HydrophobicContact CG2-CD2 4.01Å; I792-Y794 HydrophobicContact CG2-CE1 4.27Å; I792-Y794 HydrophobicContact CG2-CE2 3.49Å; I792-Y794 VanDerWaalsContact CG2-CE2 3.49Å; I792-Y794 VanDerWaalsContact O-CD2 3.3Å; I792-Y794 WeakPolarHBondContact O-CD2 3.47Å; I792-Y822 HydrophobicContact CD1-CD1 4.34Å; I792-Y822 HydrophobicContact CG2-CD1 3.92Å; I792-Y822 HydrophobicContact CG2-CE1 4.09Å; I792-I826 HydrophobicContact CD1-CD1 3.91Å; I792-I826 HydrophobicContact CD1-CG1 4.26Å; I792-Y845 PolarHBondContact N-O 3.49Å; I792-G846 VanDerWaalsContact O-CA 3.24Å; I792-G846 WeakPolarHBondContact O-CA 3.45Å; I792-F847 VanDerWaalsContact C-CE1 3.48Å; I792-F847 WeakPolarHBondContact O-CD1 3.31Å; I792-F847 PolarHBondContact O-N 3.38Å; I792-F847 VanDerWaalsContact O-N 3.16Å; I792-L860 HydrophobicContact CG1-CD2 4.33Å; I792-Y876 HydrophobicContact CG2-CD2 4.16Å; I792-Y876 HydrophobicContact CG2-CE2 3.89Å; I792-V918 HydrophobicContact CD1-CB 4.41Å; I792-V918 HydrophobicContact CD1-CG2 4.28Å
793	D	96.9	Very high	93.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	136.8	166.9	180	10.1	0	0	0	110.3	T795 N798 H812 Y822 F847 V918 A919 D920	D793-T795 VanDerWaalsContact CG-OG1 3.28Å; D793-T795 VanDerWaalsContact OD1-CB 3.22Å; D793-T795 WeakPolarHBondContact OD1-CB 3.34Å; D793-T795 WeakPolarHBondContact OD1-CG2 3.41Å; D793-T795 PolarHBondContact OD1-N 2.97Å; D793-T795 PolarHBondContact OD1-OG1 3.08Å; D793-T795 PolarHBondContact OD2-OG1 2.9Å; D793-N798 PolarHBondContact OD2-ND2 3.31Å; D793-N798 VanDerWaalsContact OD2-ND2 3.15Å; D793-H812 PolarHBondContact O-CE1 2.92Å; D793-H812 PolarHBondContact O-NE2 3.18Å; D793-Y822 HydrophobicContact CB-CE1 4.37Å; D793-F847 HydrophobicContact CB-CE1 4.24Å; D793-F847 HydrophobicContact CB-CE2 3.92Å; D793-F847 HydrophobicContact CB-CZ 3.6Å; D793-V918 WeakPolarHBondContact CB-O 3.35Å; D793-V918 PolarHBondContact N-O 3.02Å; D793-A919 HydrophobicContact CB-CB 3.8Å; D793-A919 WeakPolarHBondContact OD2-CA 3.3Å; D793-D920 PolarHBondContact OD2-N 3.47Å; D793-D920 VanDerWaalsContact OD2-N 3.13Å
794	Y	96.9	Very high	93.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.149	C	C	.	.			trans	-133.2	30	173.6	-73	-79.1	0	0	0	111.4	I792 H812 F847 G848 F858 L860 Y876 T880 V883 L885 S886	I792-Y794 HydrophobicContact CB-CD2 4.33Å; I792-Y794 HydrophobicContact CB-CE2 3.77Å; I792-Y794 HydrophobicContact CG2-CD2 4.01Å; I792-Y794 HydrophobicContact CG2-CE1 4.27Å; I792-Y794 HydrophobicContact CG2-CE2 3.49Å; I792-Y794 VanDerWaalsContact CG2-CE2 3.49Å; I792-Y794 VanDerWaalsContact O-CD2 3.3Å; I792-Y794 WeakPolarHBondContact O-CD2 3.47Å; Y794-H812 AromaticContact CD1-CE1 3.92Å; Y794-H812 AromaticContact CD1-NE2 3.79Å; Y794-F847 WeakPolarHBondContact CB-O 3.49Å; Y794-F847 PolarHBondContact N-O 2.95Å; Y794-G848 CarbonylContact O-C 3.59Å; Y794-G848 VanDerWaalsContact O-O 3.14Å; Y794-F858 AromaticContact CD2-CE1 3.9Å; Y794-F858 HydrophobicContact CD2-CE1 3.9Å; Y794-F858 AromaticContact CD2-CZ 3.61Å; Y794-F858 HydrophobicContact CD2-CZ 3.61Å; Y794-F858 HydrophobicContact CE2-CE1 4.28Å; Y794-F858 HydrophobicContact CE2-CE2 4.35Å; Y794-F858 AromaticContact CE2-CZ 3.55Å; Y794-F858 HydrophobicContact CE2-CZ 3.55Å; Y794-F858 HydrophobicContact CG-CZ 4.41Å; Y794-L860 HydrophobicContact CE2-CD1 4.18Å; Y794-Y876 HydrophobicContact CE1-CE2 4.49Å; Y794-Y876 WeakPolarHBondContact OH-CD2 3.26Å; Y794-T880 HydrophobicContact CE1-CG2 4.05Å; Y794-T880 WeakPolarHBondContact CE1-OG1 3.47Å; Y794-T880 PolarHBondContact OH-OG1 3.42Å; Y794-V883 HydrophobicContact CD1-CB 3.92Å; Y794-V883 HydrophobicContact CD1-CG1 3.62Å; Y794-V883 HydrophobicContact CD1-CG2 4.28Å; Y794-V883 HydrophobicContact CD2-CG1 4.35Å; Y794-V883 HydrophobicContact CE1-CB 4.06Å; Y794-V883 HydrophobicContact CE1-CG1 4.18Å; Y794-V883 HydrophobicContact CE1-CG2 4Å; Y794-V883 HydrophobicContact CG-CB 4.46Å; Y794-V883 HydrophobicContact CG-CG1 3.7Å; Y794-L885 HydrophobicContact CD1-CD2 3.81Å; Y794-L885 HydrophobicContact CG-CD2 4.35Å; Y794-L885 WeakPolarHBondContact O-CA 3.48Å; Y794-L885 WeakPolarHBondContact O-CB 3.41Å; Y794-L885 VanDerWaalsContact O-CD2 3.31Å; Y794-L885 WeakPolarHBondContact O-CD2 3.47Å; Y794-S886 PolarHBondContact O-N 2.78Å
795	T	94.9	Very high	94.1	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-66.5	159.1	173.6	53.6	0	0	0	0	112.8	D793 S797 N798 T889	D793-T795 VanDerWaalsContact CG-OG1 3.28Å; D793-T795 VanDerWaalsContact OD1-CB 3.22Å; D793-T795 WeakPolarHBondContact OD1-CB 3.34Å; D793-T795 WeakPolarHBondContact OD1-CG2 3.41Å; D793-T795 PolarHBondContact OD1-N 2.97Å; D793-T795 PolarHBondContact OD1-OG1 3.08Å; D793-T795 PolarHBondContact OD2-OG1 2.9Å; T795-S797 VanDerWaalsContact C-N 3.27Å; T795-S797 PolarHBondContact O-N 2.87Å; T795-S797 PolarHBondContact OG1-OG 3.17Å; T795-N798 WeakPolarHBondContact O-CB 3.26Å; T795-N798 PolarHBondContact O-N 3.5Å; T795-N798 PolarHBondContact O-ND2 3.38Å; T795-N798 PolarHBondContact OG1-ND2 3.05Å; T795-T889 HydrophobicContact CG2-CG2 4.06Å; T795-T889 VanDerWaalsContact CG2-OG1 3.3Å; T795-T889 WeakPolarHBondContact CG2-OG1 3.24Å
796	A	93.5	Very high	94.4	Very high	11 Å²	11	29.4 Å²	29.4	9%	0.091	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-69.8	-19.4	-179	0	0	0	0	0	114	N798 K799 S886	A796-N798 PolarHBondContact O-N 3.38Å; A796-K799 VanDerWaalsContact O-CB 3.28Å; A796-K799 WeakPolarHBondContact O-CB 3.35Å; A796-K799 PolarHBondContact O-N 2.61Å; A796-S886 WeakPolarHBondContact CB-O 3.27Å; A796-S886 PolarHBondContact N-O 3.11Å
797	S	93.1	Very high	94.5	Very high	10 Å²	10	31.8 Å²	31.8	7%	0.07	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-57.8	-31.2	174.1	39.3	0	0	0	0	112.2	T795 K799 Y800 Q801 D920	T795-S797 VanDerWaalsContact C-N 3.27Å; T795-S797 PolarHBondContact O-N 2.87Å; T795-S797 PolarHBondContact OG1-OG 3.17Å; S797-K799 PolarHBondContact O-N 3.19Å; S797-Y800 WeakPolarHBondContact CB-OH 3.44Å; S797-Y800 PolarHBondContact O-N 3.37Å; S797-Q801 WeakPolarHBondContact O-CB 3.37Å; S797-Q801 WeakPolarHBondContact O-CG 3.11Å; S797-Q801 PolarHBondContact O-N 2.81Å; S797-D920 WeakPolarHBondContact CB-OD2 3.5Å; S797-D920 VanDerWaalsContact OG-CG 3.26Å; S797-D920 PolarHBondContact OG-OD1 2.92Å; S797-D920 PolarHBondContact OG-OD2 3.21Å
798	N	95.9	Very high	94.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-62.3	-8.4	175.1	-75.2	-83.5	0	0	0	113.5	D793 T795 A796 S810 L811 Y822 L885 D920	D793-N798 PolarHBondContact OD2-ND2 3.31Å; D793-N798 VanDerWaalsContact OD2-ND2 3.15Å; T795-N798 WeakPolarHBondContact O-CB 3.26Å; T795-N798 PolarHBondContact O-N 3.5Å; T795-N798 PolarHBondContact O-ND2 3.38Å; T795-N798 PolarHBondContact OG1-ND2 3.05Å; A796-N798 PolarHBondContact O-N 3.38Å; N798-S810 CarbonylContact O-C 3.57Å; N798-S810 WeakPolarHBondContact O-CA 3.29Å; N798-S810 VanDerWaalsContact O-CB 3.28Å; N798-S810 WeakPolarHBondContact O-CB 3.42Å; N798-S810 PolarHBondContact O-OG 3.05Å; N798-L811 PolarHBondContact O-N 3.36Å; N798-L811 WeakPolarHBondContact OD1-CD1 3.48Å; N798-Y822 PolarHBondContact ND2-OH 2.65Å; N798-Y822 WeakPolarHBondContact OD1-CE2 3.35Å; N798-Y822 VanDerWaalsContact OD1-CZ 3.31Å; N798-Y822 PolarHBondContact OD1-OH 2.94Å; N798-L885 HydrophobicContact CB-CD1 4.46Å; N798-D920 WeakPolarHBondContact CA-OD2 3.24Å; N798-D920 VanDerWaalsContact CG-OD2 3.25Å; N798-D920 PolarHBondContact N-OD2 3.35Å; N798-D920 PolarHBondContact ND2-OD2 2.85Å; N798-D920 VanDerWaalsContact ND2-OD2 3.15Å
799	K	93.6	Very high	94.6	Very high	76 Å²	76	39.5 Å²	39.5	33%	0.33	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-75.5	-29.3	169.6	-67.2	-176.3	168.2	172.9	0	113	E112 A796 S797 L885	E112-K799 IonicContact OE1-NZ 3.46Å; E112-K799 PolarHBondContact OE1-NZ 3.18Å; E112-K799 IonicContact OE2-NZ 2.65Å; E112-K799 PolarHBondContact OE2-NZ 3.17Å; A796-K799 VanDerWaalsContact O-CB 3.28Å; A796-K799 WeakPolarHBondContact O-CB 3.35Å; A796-K799 PolarHBondContact O-N 2.61Å; S797-K799 PolarHBondContact O-N 3.19Å; K799-L885 HydrophobicContact CD-CD1 4.45Å; K799-L885 HydrophobicContact CG-CD1 3.75Å
800	Y	92.5	Very high	94.6	Very high	92 Å²	92	40.9 Å²	40.9	36%	0.361	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-20.4	-176.9	58.5	-102.8	0	0	0	114.9	E100 S797 G802 E803	E100-Y800 HydrophobicContact CB-CE1 4.25Å; E100-Y800 PolarHBondContact OE2-OH 3.23Å; S797-Y800 WeakPolarHBondContact CB-OH 3.44Å; S797-Y800 PolarHBondContact O-N 3.37Å; Y800-G802 PolarHBondContact O-N 2.94Å; Y800-E803 PolarHBondContact O-N 3.35Å
801	Q	93.1	Very high	94.7	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.056	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	8.4	179.4	-77.3	-73.1	6.7	0	0	115.6	S797 L811 D920 G949 D950 G951	S797-Q801 WeakPolarHBondContact O-CB 3.37Å; S797-Q801 WeakPolarHBondContact O-CG 3.11Å; S797-Q801 PolarHBondContact O-N 2.81Å; Q801-L811 HydrophobicContact CB-CD1 3.69Å; Q801-L811 HydrophobicContact CB-CG 4.46Å; Q801-D920 HydrophobicContact CB-CB 3.9Å; Q801-D920 HydrophobicContact CG-CB 3.97Å; Q801-D920 WeakPolarHBondContact CG-OD2 3.46Å; Q801-G949 CarbonylContact O-C 3.56Å; Q801-G949 WeakPolarHBondContact O-CA 3.28Å; Q801-D950 PolarHBondContact O-N 3.47Å; Q801-G951 PolarHBondContact NE2-O 2.67Å; Q801-G951 VanDerWaalsContact OE1-N 3.17Å; Q801-G951 PolarHBondContact OE1-O 3.34Å; Q801-G951 VanDerWaalsContact OE1-O 3.08Å
802	G	94.1	Very high	94.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	18.9	168.4	0	0	0	0	0	113.7	Y800 F806 G807 G808 R809	Y800-G802 PolarHBondContact O-N 2.94Å; G802-F806 CarbonylContact O-C 3.59Å; G802-F806 VanDerWaalsContact O-C 3.27Å; G802-F806 WeakPolarHBondContact O-CA 3.47Å; G802-F806 PolarHBondContact O-N 3.41Å; G802-G807 PolarHBondContact O-N 3.45Å; G802-G807 VanDerWaalsContact O-N 3.12Å; G802-G808 PolarHBondContact O-N 3.05Å; G802-R809 WeakPolarHBondContact CA-O 3.47Å
803	E	92.9	Very high	94.6	Very high	142 Å²	142	42.6 Å²	42.6	66%	0.664	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	-57.1	179.9	-175.6	170.7	-161	0	0	111.6	Y800 G808	Y800-E803 PolarHBondContact O-N 3.35Å; E803-G808 PolarHBondContact O-N 3.03Å
804	R	92.9	Very high	94.6	Very high	187 Å²	187	45.4 Å²	45.4	71%	0.706	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-44	178.3	-62.6	171.3	-72.4	159.2	7.5	111.9	D950	R804-D950 VanDerWaalsContact CB-OD2 3.24Å; R804-D950 WeakPolarHBondContact CB-OD2 3.48Å; R804-D950 VanDerWaalsContact CG-OD2 3.3Å; R804-D950 WeakPolarHBondContact CG-OD2 3.13Å; R804-D950 IonicContact CZ-OD2 2.72Å; R804-D950 PolarHBondContact N-OD1 2.94Å; R804-D950 PolarHBondContact N-OD2 3.38Å; R804-D950 VanDerWaalsContact N-OD2 3.07Å; R804-D950 IonicContact NE-OD2 2.87Å; R804-D950 PolarHBondContact NE-OD2 2.98Å; R804-D950 VanDerWaalsContact NH2-CB 3.33Å; R804-D950 PolarHBondContact NH2-O 3.35Å; R804-D950 IonicContact NH2-OD2 2.77Å; R804-D950 PolarHBondContact NH2-OD2 2.95Å
805	T	93.6	Very high	94.5	Very high	53 Å²	53	48.4 Å²	48.4	33%	0.325	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-21.1	-169.9	66.3	0	0	0	0	115.1	G949 D950 H977	T805-G949 WeakPolarHBondContact CG2-O 3.14Å; T805-D950 WeakPolarHBondContact CG2-OD1 3.35Å; T805-D950 PolarHBondContact N-OD1 3.44Å; T805-D950 PolarHBondContact OG1-OD1 3.27Å; T805-H977 WeakPolarHBondContact CB-CE1 3.47Å; T805-H977 WeakPolarHBondContact CB-ND1 3.29Å; T805-H977 HydrophobicContact CG2-CB 4.2Å; T805-H977 WeakPolarHBondContact CG2-ND1 3.38Å; T805-H977 PolarHBondContact OG1-CE1 3.48Å; T805-H977 PolarHBondContact OG1-ND1 3.2Å
806	F	95.2	Very high	94.3	Very high	21 Å²	21	54.3 Å²	54.3	9%	0.092	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	12.9	178.9	-156.4	-136.9	0	0	0	113.4	G802 R809 S810 L811 A813 I818 N820	G802-F806 CarbonylContact O-C 3.59Å; G802-F806 VanDerWaalsContact O-C 3.27Å; G802-F806 WeakPolarHBondContact O-CA 3.47Å; G802-F806 PolarHBondContact O-N 3.41Å; F806-R809 HydrophobicContact CD1-CB 3.65Å; F806-R809 HydrophobicContact CE1-CB 4.11Å; F806-R809 HydrophobicContact CG-CB 4.39Å; F806-R809 PolarHBondContact O-NH1 2.77Å; F806-S810 WeakPolarHBondContact CD1-O 3.36Å; F806-S810 WeakPolarHBondContact CE1-O 3.41Å; F806-L811 HydrophobicContact CB-CD2 4.13Å; F806-A813 HydrophobicContact CE1-CB 4.25Å; F806-I818 HydrophobicContact CE2-CG2 3.77Å; F806-I818 HydrophobicContact CZ-CG2 4Å; F806-N820 HydrophobicContact CE1-CB 3.61Å; F806-N820 HydrophobicContact CE2-CB 4.18Å; F806-N820 HydrophobicContact CZ-CB 3.39Å
807	G	92.7	Very high	94.2	Very high	50 Å²	50	61.3 Å²	61.3	52%	0.515	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	56	172.1	0	0	0	0	0	113.1	G802 R809	G802-G807 PolarHBondContact O-N 3.45Å; G802-G807 VanDerWaalsContact O-N 3.12Å; G807-R809 VanDerWaalsContact C-N 3.33Å; G807-R809 PolarHBondContact O-N 2.96Å; G807-R809 PolarHBondContact O-NH1 3.3Å
808	G	92.4	Very high	94.2	Very high	64 Å²	64	64.5 Å²	64.5	66%	0.66	35%	0.347	S	S	*	.	S	Bend	trans	71.5	21.2	177.4	0	0	0	0	0	114.8	G802 E803	G802-G808 PolarHBondContact O-N 3.05Å; E803-G808 PolarHBondContact O-N 3.03Å
809	R	94.8	Very high	94.2	Very high	106 Å²	106	66.7 Å²	66.7	40%	0.4	36%	0.362	S	S	.	.	S	Bend	trans	-115.1	151.3	-177.4	-63.4	-179.5	-169.2	78.8	1.6	111.5	G802 F806 G807	G802-R809 WeakPolarHBondContact CA-O 3.47Å; F806-R809 HydrophobicContact CD1-CB 3.65Å; F806-R809 HydrophobicContact CE1-CB 4.11Å; F806-R809 HydrophobicContact CG-CB 4.39Å; F806-R809 PolarHBondContact O-NH1 2.77Å; G807-R809 VanDerWaalsContact C-N 3.33Å; G807-R809 PolarHBondContact O-N 2.96Å; G807-R809 PolarHBondContact O-NH1 3.3Å
810	S	96.2	Very high	94.3	Very high	31 Å²	31	63 Å²	63	22%	0.217	35%	0.347	C	S	.	.			trans	-59.2	137.5	165.4	174.9	0	0	0	0	110.7	N798 F806 H812 A813	N798-S810 CarbonylContact O-C 3.57Å; N798-S810 WeakPolarHBondContact O-CA 3.29Å; N798-S810 VanDerWaalsContact O-CB 3.28Å; N798-S810 WeakPolarHBondContact O-CB 3.42Å; N798-S810 PolarHBondContact O-OG 3.05Å; F806-S810 WeakPolarHBondContact CD1-O 3.36Å; F806-S810 WeakPolarHBondContact CE1-O 3.41Å; S810-H812 PolarHBondContact O-N 2.72Å; S810-H812 VanDerWaalsContact O-N 3.12Å; S810-H812 PolarHBondContact OG-N 2.82Å; S810-A813 VanDerWaalsContact O-CB 3.31Å; S810-A813 WeakPolarHBondContact O-CB 3.39Å; S810-A813 PolarHBondContact O-N 2.92Å
811	L	97.4	Very high	94.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.2	178.3	-61.3	174.4	0	0	0	113.1	N798 Q801 F806 N820 P821 Y822 D920 V948	N798-L811 PolarHBondContact O-N 3.36Å; N798-L811 WeakPolarHBondContact OD1-CD1 3.48Å; Q801-L811 HydrophobicContact CB-CD1 3.69Å; Q801-L811 HydrophobicContact CB-CG 4.46Å; F806-L811 HydrophobicContact CB-CD2 4.13Å; L811-N820 VanDerWaalsContact O-CB 3.25Å; L811-N820 WeakPolarHBondContact O-CB 3.49Å; L811-N820 PolarHBondContact O-OD1 2.73Å; L811-P821 HydrophobicContact CD2-CG 4.07Å; L811-Y822 HydrophobicContact CB-CD2 4.16Å; L811-Y822 HydrophobicContact CB-CE2 3.75Å; L811-D920 HydrophobicContact CD1-CB 3.91Å; L811-V948 VanDerWaalsContact CD1-O 3.3Å; L811-V948 WeakPolarHBondContact CD1-O 3.28Å
812	H	97.6	Very high	94.8	Very high	9 Å²	9	58.1 Å²	58.1	4%	0.042	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	0.1	174.8	-69.8	-49.5	0	0	0	114.9	D793 Y794 S810 I814 N820 Y822 Y876 T880	D793-H812 PolarHBondContact O-CE1 2.92Å; D793-H812 PolarHBondContact O-NE2 3.18Å; Y794-H812 AromaticContact CD1-CE1 3.92Å; Y794-H812 AromaticContact CD1-NE2 3.79Å; S810-H812 PolarHBondContact O-N 2.72Å; S810-H812 VanDerWaalsContact O-N 3.12Å; S810-H812 PolarHBondContact OG-N 2.82Å; H812-I814 PolarHBondContact O-N 2.65Å; H812-N820 PolarHBondContact O-ND2 3.46Å; H812-Y822 AromaticContact CE1-CD2 3.78Å; H812-Y822 AromaticContact CE1-CE1 3.93Å; H812-Y822 AromaticContact CE1-CE2 3.48Å; H812-Y822 VanDerWaalsContact CE1-CE2 3.48Å; H812-Y822 WeakPolarHBondContact CE1-CE2 3.36Å; H812-Y822 AromaticContact CE1-CZ 3.58Å; H812-Y822 AromaticContact ND1-CD2 3.7Å; H812-Y822 AromaticContact ND1-CE2 3.8Å; H812-Y876 AromaticContact ND1-CZ 3.97Å; H812-Y876 PolarHBondContact ND1-OH 2.66Å; H812-Y876 VanDerWaalsContact ND1-OH 3.07Å; H812-T880 HydrophobicContact CB-CG2 3.69Å
813	A	96.7	Very high	95	Very high	28 Å²	28	58.7 Å²	58.7	23%	0.231	33%	0.33	C	S	.	.			trans	-60.6	113.9	-176.6	0	0	0	0	0	111	F806 S810 L815 N820	F806-A813 HydrophobicContact CE1-CB 4.25Å; S810-A813 VanDerWaalsContact O-CB 3.31Å; S810-A813 WeakPolarHBondContact O-CB 3.39Å; S810-A813 PolarHBondContact O-N 2.92Å; A813-L815 PolarHBondContact O-N 2.89Å; A813-N820 PolarHBondContact O-ND2 3.21Å
814	I	96.6	Very high	95.2	Very high	60 Å²	60	55 Å²	55	31%	0.308	31%	0.312	S	S	.	.			trans	-84.3	111.6	177.9	-52.3	-59.5	0	0	0	108.1	H812 Y876 T880 P881	H812-I814 PolarHBondContact O-N 2.65Å; I814-Y876 HydrophobicContact CD1-CD1 4.12Å; I814-Y876 HydrophobicContact CD1-CE1 3.52Å; I814-T880 HydrophobicContact CD1-CG2 4.13Å; I814-T880 HydrophobicContact CG1-CG2 4.28Å; I814-P881 HydrophobicContact CG1-CG 3.98Å
815	L	94.5	Very high	95.4	Very high	63 Å²	63	46 Å²	46	33%	0.33	28%	0.279	S	S	.	.			trans	-122	147.4	-179	-61.6	176.8	0	0	0	110.3	A813 D817 I818	A813-L815 PolarHBondContact O-N 2.89Å; L815-D817 PolarHBondContact O-N 2.81Å; L815-I818 HydrophobicContact CB-CB 4.16Å; L815-I818 HydrophobicContact CD1-CB 4.17Å; L815-I818 HydrophobicContact CD1-CD1 4.24Å
816	P	91.2	Very high	95.6	Very high	126 Å²	126	43.5 Å²	43.5	82%	0.818	26%	0.263	S	S	*	.	S	Bend	trans	-64.2	-40.9	-176.7	-23.4	34.5	0	0	0	114.1
817	D	90.5	Very high	95.6	Very high	157 Å²	157	45.1 Å²	45.1	84%	0.84	27%	0.271	S	S	*	.	S	Bend	trans	-106.1	-2.3	-171	-49.5	-71.7	0	0	0	113.6	L815	L815-D817 PolarHBondContact O-N 2.81Å
818	I	93.5	Very high	95.8	Very high	77 Å²	77	43 Å²	43	40%	0.395	25%	0.247	S	C	.	.			trans	-132.8	112	-173.8	-56.4	178.6	0	0	0	109.6	F806 L815	F806-I818 HydrophobicContact CE2-CG2 3.77Å; F806-I818 HydrophobicContact CZ-CG2 4Å; L815-I818 HydrophobicContact CB-CB 4.16Å; L815-I818 HydrophobicContact CD1-CB 4.17Å; L815-I818 HydrophobicContact CD1-CD1 4.24Å
819	S	95.5	Very high	95.9	Very high	46 Å²	46	39.9 Å²	39.9	32%	0.322	22%	0.216	S	C	.	.			trans	-75	120.6	172	-168.4	0	0	0	0	109.9	Q823 Q824	S819-Q823 WeakPolarHBondContact OG-CB 3.33Å; S819-Q824 PolarHBondContact O-NE2 2.98Å; S819-Q824 WeakPolarHBondContact OG-CG 3.25Å
820	N	97.3	Very high	95.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.			trans	-74.9	162.5	175.3	70.3	44	0	0	0	112	F806 L811 H812 A813 Y822 Q823 Q824 Y876	F806-N820 HydrophobicContact CE1-CB 3.61Å; F806-N820 HydrophobicContact CE2-CB 4.18Å; F806-N820 HydrophobicContact CZ-CB 3.39Å; L811-N820 VanDerWaalsContact O-CB 3.25Å; L811-N820 WeakPolarHBondContact O-CB 3.49Å; L811-N820 PolarHBondContact O-OD1 2.73Å; H812-N820 PolarHBondContact O-ND2 3.46Å; A813-N820 PolarHBondContact O-ND2 3.21Å; N820-Y822 VanDerWaalsContact C-N 3.28Å; N820-Y822 PolarHBondContact O-N 2.93Å; N820-Y822 PolarHBondContact OD1-N 3.14Å; N820-Q823 VanDerWaalsContact CG-OE1 3.28Å; N820-Q823 PolarHBondContact ND2-OE1 2.91Å; N820-Q823 WeakPolarHBondContact O-CA 3.28Å; N820-Q823 WeakPolarHBondContact O-CB 3.47Å; N820-Q823 PolarHBondContact O-N 2.81Å; N820-Q823 WeakPolarHBondContact OD1-CG 3.29Å; N820-Q823 PolarHBondContact OD1-N 2.86Å; N820-Q824 PolarHBondContact O-N 3.11Å; N820-Y876 PolarHBondContact OD1-OH 3Å
821	P	97.4	Very high	95.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-54.9	-39.2	-172.1	-32.1	40.1	0	0	0	114.2	L811 Q823 Q824 V825 V948 F976	L811-P821 HydrophobicContact CD2-CG 4.07Å; P821-Q823 PolarHBondContact O-N 3.38Å; P821-Q824 PolarHBondContact O-N 3.13Å; P821-V825 VanDerWaalsContact O-CG2 3.29Å; P821-V825 WeakPolarHBondContact O-CG2 3.48Å; P821-V825 PolarHBondContact O-N 2.81Å; P821-V948 HydrophobicContact CB-CB 3.77Å; P821-V948 HydrophobicContact CB-CG1 3.75Å; P821-F976 HydrophobicContact CB-CD1 4.32Å; P821-F976 HydrophobicContact CB-CE1 4.23Å
822	Y	98.2	Very high	95.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60	-46.2	173.4	-71.1	-90.9	0	0	0	112.5	I792 D793 N798 L811 H812 N820 Q824 V825 I826 Y876 V918 V948	I792-Y822 HydrophobicContact CD1-CD1 4.34Å; I792-Y822 HydrophobicContact CG2-CD1 3.92Å; I792-Y822 HydrophobicContact CG2-CE1 4.09Å; D793-Y822 HydrophobicContact CB-CE1 4.37Å; N798-Y822 PolarHBondContact ND2-OH 2.65Å; N798-Y822 WeakPolarHBondContact OD1-CE2 3.35Å; N798-Y822 VanDerWaalsContact OD1-CZ 3.31Å; N798-Y822 PolarHBondContact OD1-OH 2.94Å; L811-Y822 HydrophobicContact CB-CD2 4.16Å; L811-Y822 HydrophobicContact CB-CE2 3.75Å; H812-Y822 AromaticContact CE1-CD2 3.78Å; H812-Y822 AromaticContact CE1-CE1 3.93Å; H812-Y822 AromaticContact CE1-CE2 3.48Å; H812-Y822 VanDerWaalsContact CE1-CE2 3.48Å; H812-Y822 WeakPolarHBondContact CE1-CE2 3.36Å; H812-Y822 AromaticContact CE1-CZ 3.58Å; H812-Y822 AromaticContact ND1-CD2 3.7Å; H812-Y822 AromaticContact ND1-CE2 3.8Å; N820-Y822 VanDerWaalsContact C-N 3.28Å; N820-Y822 PolarHBondContact O-N 2.93Å; N820-Y822 PolarHBondContact OD1-N 3.14Å; Y822-Q824 VanDerWaalsContact C-N 3.32Å; Y822-Q824 PolarHBondContact O-N 3.01Å; Y822-V825 PolarHBondContact O-N 3.08Å; Y822-I826 WeakPolarHBondContact O-CB 3.4Å; Y822-I826 WeakPolarHBondContact O-CD1 3.33Å; Y822-I826 VanDerWaalsContact O-CG1 3.22Å; Y822-I826 WeakPolarHBondContact O-CG1 3.42Å; Y822-I826 PolarHBondContact O-N 3.41Å; Y822-Y876 WeakPolarHBondContact CB-OH 3.24Å; Y822-V918 HydrophobicContact CD1-CB 3.75Å; Y822-V918 HydrophobicContact CD1-CG1 3.42Å; Y822-V918 VanDerWaalsContact CD1-CG1 3.42Å; Y822-V918 HydrophobicContact CE1-CB 3.79Å; Y822-V918 HydrophobicContact CE1-CG1 3.57Å; Y822-V918 WeakPolarHBondContact CE1-O 3.07Å; Y822-V918 HydrophobicContact CG-CG1 4.18Å; Y822-V948 HydrophobicContact CD1-CG2 4.45Å; Y822-V948 HydrophobicContact CD2-CG2 4.1Å; Y822-V948 HydrophobicContact CE1-CG2 4.01Å; Y822-V948 HydrophobicContact CE2-CG2 3.6Å; Y822-V948 HydrophobicContact CG-CG2 4.48Å
823	Q	97.9	Very high	95.1	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.056	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-39.9	176.5	-66	172.7	-60.1	0	0	111.7	S819 N820 P821 Q827 L873 Y876 N877	S819-Q823 WeakPolarHBondContact OG-CB 3.33Å; N820-Q823 VanDerWaalsContact CG-OE1 3.28Å; N820-Q823 PolarHBondContact ND2-OE1 2.91Å; N820-Q823 WeakPolarHBondContact O-CA 3.28Å; N820-Q823 WeakPolarHBondContact O-CB 3.47Å; N820-Q823 PolarHBondContact O-N 2.81Å; N820-Q823 WeakPolarHBondContact OD1-CG 3.29Å; N820-Q823 PolarHBondContact OD1-N 2.86Å; P821-Q823 PolarHBondContact O-N 3.38Å; Q823-Q827 VanDerWaalsContact O-CB 3.31Å; Q823-Q827 WeakPolarHBondContact O-CB 3.25Å; Q823-Q827 PolarHBondContact O-N 2.9Å; Q823-L873 HydrophobicContact CB-CD1 3.75Å; Q823-L873 HydrophobicContact CG-CD1 3.72Å; Q823-Y876 HydrophobicContact CG-CD1 3.89Å; Q823-Y876 HydrophobicContact CG-CE1 3.49Å; Q823-Y876 VanDerWaalsContact CG-CE1 3.49Å; Q823-N877 PolarHBondContact NE2-OD1 3Å
824	Q	97.3	Very high	94.7	Very high	63 Å²	63	38.4 Å²	38.4	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-64.9	-45.7	176.8	-64.9	-178.2	53.5	0	0	111.8	S819 N820 P821 Y822 Q827 I828 F976	S819-Q824 PolarHBondContact O-NE2 2.98Å; S819-Q824 WeakPolarHBondContact OG-CG 3.25Å; N820-Q824 PolarHBondContact O-N 3.11Å; P821-Q824 PolarHBondContact O-N 3.13Å; Y822-Q824 VanDerWaalsContact C-N 3.32Å; Y822-Q824 PolarHBondContact O-N 3.01Å; Q824-Q827 WeakPolarHBondContact O-CB 3.49Å; Q824-Q827 PolarHBondContact O-N 2.93Å; Q824-I828 WeakPolarHBondContact O-CD1 3.34Å; Q824-I828 VanDerWaalsContact O-CG1 3.26Å; Q824-I828 WeakPolarHBondContact O-CG1 3.33Å; Q824-I828 PolarHBondContact O-N 2.81Å; Q824-F976 HydrophobicContact CB-CE2 4.35Å; Q824-F976 HydrophobicContact CB-CZ 3.8Å
825	V	97.7	Very high	94.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-46.3	178.9	173.1	0	0	0	0	111.8	P821 Y822 Q827 I828 L829 V918 V946 V948 F976 F990	P821-V825 VanDerWaalsContact O-CG2 3.29Å; P821-V825 WeakPolarHBondContact O-CG2 3.48Å; P821-V825 PolarHBondContact O-N 2.81Å; Y822-V825 PolarHBondContact O-N 3.08Å; V825-Q827 VanDerWaalsContact C-N 3.28Å; V825-Q827 PolarHBondContact O-N 2.84Å; V825-I828 PolarHBondContact O-N 3.33Å; V825-L829 HydrophobicContact CG1-CD1 3.97Å; V825-L829 HydrophobicContact CG1-CG 4.47Å; V825-L829 PolarHBondContact O-N 3.19Å; V825-V918 HydrophobicContact CB-CG1 4.36Å; V825-V918 HydrophobicContact CB-CG2 4.4Å; V825-V918 HydrophobicContact CG1-CG1 4.27Å; V825-V918 HydrophobicContact CG1-CG2 3.64Å; V825-V918 HydrophobicContact CG2-CG1 4.47Å; V825-V946 HydrophobicContact CG1-CB 4.11Å; V825-V946 HydrophobicContact CG1-CG1 3.96Å; V825-V946 HydrophobicContact CG1-CG2 3.98Å; V825-V946 HydrophobicContact CG2-CG1 3.68Å; V825-V948 HydrophobicContact CG2-CG1 3.85Å; V825-F976 HydrophobicContact CG2-CD2 3.55Å; V825-F976 HydrophobicContact CG2-CE2 3.84Å; V825-F976 HydrophobicContact CG2-CG 4.06Å; V825-F990 HydrophobicContact CB-CE1 4.34Å; V825-F990 HydrophobicContact CB-CZ 4.45Å; V825-F990 HydrophobicContact CG1-CE1 4.19Å; V825-F990 HydrophobicContact CG1-CZ 4.04Å; V825-F990 HydrophobicContact CG2-CE1 3.99Å; V825-F990 HydrophobicContact CG2-CZ 3.9Å
826	I	96.9	Very high	94	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.9	-42.7	174.7	-66.3	163.8	0	0	0	110.4	F790 I792 Y822 G830 V872 L873 Y876	F790-I826 HydrophobicContact CD1-CG1 4.24Å; F790-I826 HydrophobicContact CE1-CG1 4.24Å; I792-I826 HydrophobicContact CD1-CD1 3.91Å; I792-I826 HydrophobicContact CD1-CG1 4.26Å; Y822-I826 WeakPolarHBondContact O-CB 3.4Å; Y822-I826 WeakPolarHBondContact O-CD1 3.33Å; Y822-I826 VanDerWaalsContact O-CG1 3.22Å; Y822-I826 WeakPolarHBondContact O-CG1 3.42Å; Y822-I826 PolarHBondContact O-N 3.41Å; I826-G830 VanDerWaalsContact O-CA 3.28Å; I826-G830 WeakPolarHBondContact O-CA 3.45Å; I826-G830 PolarHBondContact O-N 2.95Å; I826-V872 HydrophobicContact CG2-CB 4.27Å; I826-V872 HydrophobicContact CG2-CG1 3.98Å; I826-L873 HydrophobicContact CG2-CB 4.15Å; I826-Y876 HydrophobicContact CD1-CD2 4.35Å; I826-Y876 HydrophobicContact CD1-CG 4.22Å
827	Q	95.8	Very high	93.7	Very high	55 Å²	55	31.3 Å²	31.3	26%	0.257	17%	0.166	S	C	.	.	H	α-helix	trans	-63.1	-51.2	177.3	170.7	172.7	-60.3	0	0	112.4	Q823 Q824 V825 K831 E987	Q823-Q827 VanDerWaalsContact O-CB 3.31Å; Q823-Q827 WeakPolarHBondContact O-CB 3.25Å; Q823-Q827 PolarHBondContact O-N 2.9Å; Q824-Q827 WeakPolarHBondContact O-CB 3.49Å; Q824-Q827 PolarHBondContact O-N 2.93Å; V825-Q827 VanDerWaalsContact C-N 3.28Å; V825-Q827 PolarHBondContact O-N 2.84Å; Q827-K831 VanDerWaalsContact CD-NZ 3.32Å; Q827-K831 HydrophobicContact CG-CD 3.98Å; Q827-K831 VanDerWaalsContact NE2-NZ 3.11Å; Q827-K831 WeakPolarHBondContact O-CB 3.09Å; Q827-K831 WeakPolarHBondContact O-CD 3.19Å; Q827-K831 WeakPolarHBondContact O-CG 3.48Å; Q827-K831 PolarHBondContact O-N 3Å; Q827-E987 PolarHBondContact NE2-OE1 3.06Å
828	I	96.1	Very high	93	Very high	4 Å²	4	26 Å²	26	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-73.5	-49.2	-169	-64.1	159.5	0	0	0	111.1	L771 Q824 V825 T832 F976 E987 F990 A991	L771-I828 HydrophobicContact CD1-CG2 4.46Å; L771-I828 HydrophobicContact CD2-CG2 4.19Å; Q824-I828 WeakPolarHBondContact O-CD1 3.34Å; Q824-I828 VanDerWaalsContact O-CG1 3.26Å; Q824-I828 WeakPolarHBondContact O-CG1 3.33Å; Q824-I828 PolarHBondContact O-N 2.81Å; V825-I828 PolarHBondContact O-N 3.33Å; I828-T832 WeakPolarHBondContact O-CB 3.34Å; I828-T832 PolarHBondContact O-N 2.88Å; I828-T832 VanDerWaalsContact O-N 3.14Å; I828-T832 PolarHBondContact O-OG1 3.32Å; I828-F976 HydrophobicContact CD1-CE2 4.28Å; I828-E987 HydrophobicContact CD1-CB 4.25Å; I828-E987 HydrophobicContact CD1-CG 3.9Å; I828-E987 HydrophobicContact CG1-CB 4.14Å; I828-E987 HydrophobicContact CG1-CG 3.88Å; I828-E987 HydrophobicContact CG2-CB 4.44Å; I828-E987 WeakPolarHBondContact CG2-O 3.32Å; I828-F990 HydrophobicContact CB-CD1 4.07Å; I828-F990 HydrophobicContact CB-CE1 4.35Å; I828-F990 HydrophobicContact CD1-CD1 3.9Å; I828-F990 HydrophobicContact CG2-CD1 3.81Å; I828-F990 HydrophobicContact CG2-CE1 4.4Å; I828-A991 HydrophobicContact CG2-CB 3.81Å
829	L	94.9	Very high	92.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-71.7	-36.3	178.5	-59	-176.4	0	0	0	111.2	V825 T832 L833 V916 V946 F990	V825-L829 HydrophobicContact CG1-CD1 3.97Å; V825-L829 HydrophobicContact CG1-CG 4.47Å; V825-L829 PolarHBondContact O-N 3.19Å; L829-T832 PolarHBondContact O-N 3.39Å; L829-L833 WeakPolarHBondContact O-CB 3.41Å; L829-L833 PolarHBondContact O-N 2.72Å; L829-V916 HydrophobicContact CD1-CG1 3.75Å; L829-V916 HydrophobicContact CD1-CG2 4.38Å; L829-V946 HydrophobicContact CD1-CG2 3.93Å; L829-F990 HydrophobicContact CD1-CE1 4.2Å; L829-F990 HydrophobicContact CD1-CZ 4.04Å; L829-F990 HydrophobicContact CD2-CE1 3.97Å; L829-F990 HydrophobicContact CD2-CZ 4.32Å; L829-F990 HydrophobicContact CG-CE1 3.84Å; L829-F990 HydrophobicContact CG-CZ 4.19Å
830	G	92.8	Very high	91.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-56.8	-50.9	172.8	0	0	0	0	0	112.8	I826 T832 Q834 F869	I826-G830 VanDerWaalsContact O-CA 3.28Å; I826-G830 WeakPolarHBondContact O-CA 3.45Å; I826-G830 PolarHBondContact O-N 2.95Å; G830-T832 PolarHBondContact O-N 3.33Å; G830-Q834 WeakPolarHBondContact O-CB 3.41Å; G830-Q834 PolarHBondContact O-N 3.41Å; G830-F869 VanDerWaalsContact C-CD1 3.42Å; G830-F869 VanDerWaalsContact CA-CB 3.48Å
831	K	92.5	Very high	90.7	Very high	79 Å²	79	28.6 Å²	28.6	34%	0.343	16%	0.16	S	C	.	.	H	α-helix	trans	-58.9	-44.8	175.4	-76.5	170.5	179.4	173.2	0	112.6	L771 Q827 P835 F869	L771-K831 HydrophobicContact CD1-CB 4.01Å; L771-K831 HydrophobicContact CD1-CD 3.96Å; Q827-K831 VanDerWaalsContact CD-NZ 3.32Å; Q827-K831 HydrophobicContact CG-CD 3.98Å; Q827-K831 VanDerWaalsContact NE2-NZ 3.11Å; Q827-K831 WeakPolarHBondContact O-CB 3.09Å; Q827-K831 WeakPolarHBondContact O-CD 3.19Å; Q827-K831 WeakPolarHBondContact O-CG 3.48Å; Q827-K831 PolarHBondContact O-N 3Å; K831-P835 WeakPolarHBondContact O-CD 3.42Å; K831-F869 HydrophobicContact CB-CE1 4.38Å; K831-F869 HydrophobicContact CB-CZ 4.45Å; K831-F869 HydrophobicContact CD-CZ 4.32Å; K831-F869 HydrophobicContact CG-CD1 4.48Å; K831-F869 HydrophobicContact CG-CE1 3.69Å; K831-F869 HydrophobicContact CG-CE2 3.83Å; K831-F869 HydrophobicContact CG-CZ 3.33Å
832	T	92.9	Very high	90.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-74.8	-32.7	-172.9	-48.5	0	0	0	0	112.9	V774 S775 I828 L829 G830 A991 L995	V774-T832 HydrophobicContact CB-CG2 4.23Å; V774-T832 HydrophobicContact CG1-CG2 3.8Å; S775-T832 PolarHBondContact OG-O 3.1Å; I828-T832 WeakPolarHBondContact O-CB 3.34Å; I828-T832 PolarHBondContact O-N 2.88Å; I828-T832 VanDerWaalsContact O-N 3.14Å; I828-T832 PolarHBondContact O-OG1 3.32Å; L829-T832 PolarHBondContact O-N 3.39Å; G830-T832 PolarHBondContact O-N 3.33Å; T832-A991 HydrophobicContact CG2-CB 4.31Å; T832-L995 HydrophobicContact CG2-CD1 3.62Å
833	L	90.9	Very high	90.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-95.7	-21.2	-178.3	-68	177.6	0	0	0	114.4	L788 L829 P835 F836 I914 L995	L788-L833 HydrophobicContact CD1-CB 3.6Å; L788-L833 HydrophobicContact CD2-CB 3.92Å; L788-L833 HydrophobicContact CD2-CD1 3.79Å; L788-L833 HydrophobicContact CD2-CG 4.42Å; L788-L833 HydrophobicContact CG-CB 4.4Å; L829-L833 WeakPolarHBondContact O-CB 3.41Å; L829-L833 PolarHBondContact O-N 2.72Å; L833-P835 VanDerWaalsContact C-N 3.3Å; L833-F836 PolarHBondContact O-N 3Å; L833-I914 HydrophobicContact CD1-CD1 4.34Å; L833-I914 HydrophobicContact CD1-CG2 4.47Å; L833-I914 HydrophobicContact CD2-CD1 4.19Å; L833-L995 HydrophobicContact CD1-CD2 4.03Å; L833-L995 HydrophobicContact CD2-CD1 3.87Å; L833-L995 HydrophobicContact CD2-CD2 3.77Å; L833-L995 HydrophobicContact CG-CD1 4.28Å; L833-L995 HydrophobicContact CG-CD2 4.13Å
834	Q	87.7	Confident	90.2	Very high	63 Å²	63	28.7 Å²	28.7	29%	0.294	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-52.1	-36.5	177.4	179.7	156.2	-78.6	0	0	114.7	G830 F836 S837 F869	G830-Q834 WeakPolarHBondContact O-CB 3.41Å; G830-Q834 PolarHBondContact O-N 3.41Å; Q834-F836 PolarHBondContact O-N 3.39Å; Q834-S837 WeakPolarHBondContact O-CB 3.45Å; Q834-S837 PolarHBondContact O-N 2.76Å; Q834-S837 VanDerWaalsContact O-N 3.11Å; Q834-F869 HydrophobicContact CB-CD1 4.35Å
835	P	88.7	Confident	90.2	Very high	66 Å²	66	26.9 Å²	26.9	43%	0.429	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-62.1	-8.5	173.8	-25.3	36.1	0	0	0	116.1	K831 L833	K831-P835 WeakPolarHBondContact O-CD 3.42Å; L833-P835 VanDerWaalsContact C-N 3.3Å
836	F	88.3	Confident	90.2	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.026	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-110.8	-3.1	177.2	-57.3	-82.7	0	0	0	113.2	S775 M778 R779 L783 S785 S786 L833 Q834 S838	S775-F836 WeakPolarHBondContact O-CZ 3.42Å; M778-F836 HydrophobicContact CB-CE2 4.03Å; M778-F836 HydrophobicContact CB-CZ 3.72Å; R779-F836 HydrophobicContact CB-CE1 3.85Å; R779-F836 HydrophobicContact CB-CZ 3.94Å; R779-F836 HydrophobicContact CG-CE1 4.11Å; L783-F836 HydrophobicContact CB-CD1 4.36Å; L783-F836 HydrophobicContact CB-CE1 4.13Å; L783-F836 HydrophobicContact CD2-CB 4.44Å; L783-F836 HydrophobicContact CD2-CD1 3.9Å; L783-F836 HydrophobicContact CD2-CD2 3.97Å; L783-F836 HydrophobicContact CD2-CE1 4.09Å; L783-F836 HydrophobicContact CD2-CE2 4.16Å; L783-F836 HydrophobicContact CD2-CG 3.83Å; L783-F836 HydrophobicContact CD2-CZ 4.21Å; L783-F836 HydrophobicContact CG-CD1 3.79Å; L783-F836 HydrophobicContact CG-CE1 4.04Å; L783-F836 HydrophobicContact CG-CG 4.17Å; L783-F836 VanDerWaalsContact O-CE1 3.25Å; L783-F836 WeakPolarHBondContact O-CE1 3.2Å; S785-F836 CarbonylContact C-O 3.57Å; S785-F836 WeakPolarHBondContact CA-O 3.38Å; S786-F836 PolarHBondContact N-O 2.85Å; S786-F836 WeakPolarHBondContact OG-CB 3.38Å; L833-F836 PolarHBondContact O-N 3Å; Q834-F836 PolarHBondContact O-N 3.39Å; F836-S838 PolarHBondContact O-N 3.17Å
837	S	84.5	Confident	90.2	Very high	29 Å²	29	27 Å²	27	20%	0.203	15%	0.153	C	C	.	.			trans	-68.7	100.2	-175	-172.2	0	0	0	0	112.3	S786 Q834	S786-S837 WeakPolarHBondContact O-CA 3.35Å; Q834-S837 WeakPolarHBondContact O-CB 3.45Å; Q834-S837 PolarHBondContact O-N 2.76Å; Q834-S837 VanDerWaalsContact O-N 3.11Å
838	S	75.8	Confident	90.1	Very high	44 Å²	44	24.3 Å²	24.3	31%	0.308	14%	0.141	S	C	.	.	S	Bend	trans	-70.6	-39.9	-178.1	16.6	0	0	0	0	113.9	N787 F836	N787-S838 WeakPolarHBondContact OD1-CB 3.04Å; N787-S838 PolarHBondContact OD1-OG 2.8Å; F836-S838 PolarHBondContact O-N 3.17Å
839	S	74.7	Confident	90	Very high	39 Å²	39	24.1 Å²	24.1	27%	0.273	14%	0.14	S	C	.	.	S	Bend	trans	-76.8	-18	-175.8	59.5	0	0	0	0	114.3	N787 F841	N787-S839 WeakPolarHBondContact OD1-CB 3.29Å; N787-S839 PolarHBondContact OD1-N 2.86Å; N787-S839 PolarHBondContact OD1-OG 2.91Å; S839-F841 WeakPolarHBondContact O-CD2 3.34Å; S839-F841 PolarHBondContact O-N 2.73Å; S839-F841 PolarHBondContact OG-N 3.39Å; S839-F841 PolarHBondContact OG-O 2.87Å; S839-F841 VanDerWaalsContact OG-O 3.11Å
840	G	76.2	Confident	89.9	Confident	39 Å²	39	27 Å²	27	40%	0.402	16%	0.157	S	C	.	.	S	Bend	trans	67.3	15.5	-170.3	0	0	0	0	0	113.9
841	F	87.8	Confident	89.9	Confident	101 Å²	101	33.9 Å²	33.9	44%	0.443	19%	0.187	S	C	.	.			trans	-137.1	156.9	176.6	-63.4	-76	0	0	0	111.5	S839 R865 C866 R867	S839-F841 WeakPolarHBondContact O-CD2 3.34Å; S839-F841 PolarHBondContact O-N 2.73Å; S839-F841 PolarHBondContact OG-N 3.39Å; S839-F841 PolarHBondContact OG-O 2.87Å; S839-F841 VanDerWaalsContact OG-O 3.11Å; F841-R865 HydrophobicContact CB-CB 4.03Å; F841-R865 HydrophobicContact CD1-CB 4.4Å; F841-R865 HydrophobicContact CG-CB 4.48Å; F841-C866 CarbonylContact C-O 3.27Å; F841-C866 WeakPolarHBondContact CA-O 3.44Å; F841-R867 HydrophobicContact CD1-CG 4.23Å; F841-R867 HydrophobicContact CE1-CG 4Å
842	I	92.5	Very high	89.8	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	123.5	175.6	-54.4	-176	0	0	0	107.5	L788 F790 C866 F869 V872	L788-I842 HydrophobicContact CB-CG1 4.32Å; L788-I842 HydrophobicContact CB-CG2 4.11Å; L788-I842 HydrophobicContact CD1-CD1 4.28Å; L788-I842 WeakPolarHBondContact O-CA 2.99Å; F790-I842 HydrophobicContact CD2-CG2 3.61Å; F790-I842 HydrophobicContact CE2-CG2 3.98Å; I842-C866 PolarHBondContact N-O 3.48Å; I842-C866 PolarHBondContact O-N 2.77Å; I842-F869 HydrophobicContact CD1-CB 4.34Å; I842-V872 HydrophobicContact CB-CG2 4.01Å; I842-V872 HydrophobicContact CD1-CG2 4.47Å; I842-V872 HydrophobicContact CG2-CG2 3.77Å
843	A	93.6	Very high	89.7	Confident	5 Å²	5	32.2 Å²	32.2	4%	0.041	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	141.7	172.1	0	0	0	0	0	109.5	L788 I789 F790 Y845 R865 I901	L788-A843 PolarHBondContact O-N 2.95Å; L788-A843 VanDerWaalsContact O-N 3.13Å; I789-A843 CarbonylContact C-O 3.49Å; I789-A843 WeakPolarHBondContact CA-O 3.49Å; I789-A843 HydrophobicContact CG1-CB 4.36Å; I789-A843 HydrophobicContact CG2-CB 4.27Å; F790-A843 PolarHBondContact N-O 3.21Å; A843-Y845 HydrophobicContact CB-CD2 4.46Å; A843-Y845 HydrophobicContact CB-CE2 3.87Å; A843-R865 HydrophobicContact CB-CG 4.38Å; A843-I901 HydrophobicContact CB-CD1 4.15Å
844	A	96.7	Very high	89.5	Confident	9 Å²	9	33.7 Å²	33.7	7%	0.074	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	121.3	-176.6	0	0	0	0	0	110.1	F790 L860 V872	F790-A844 CarbonylContact O-C 3.42Å; F790-A844 WeakPolarHBondContact O-CA 3.3Å; A844-L860 HydrophobicContact CB-CB 4.19Å; A844-L860 HydrophobicContact CB-CD2 4.45Å; A844-L860 PolarHBondContact O-N 3.32Å; A844-V872 HydrophobicContact CB-CG1 4.09Å; A844-V872 HydrophobicContact CB-CG2 4.45Å
845	Y	97.6	Very high	89.6	Confident	24 Å²	24	37.4 Å²	37.4	9%	0.094	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	152	-173.9	-68.8	-93.8	0	0	0	111.8	I789 F790 G791 I792 A843 V857 F858 P859 L860 E897 I901	I789-Y845 HydrophobicContact CG2-CD2 4.29Å; F790-Y845 PolarHBondContact O-N 2.92Å; G791-Y845 CarbonylContact C-O 3.5Å; G791-Y845 WeakPolarHBondContact CA-O 3.41Å; I792-Y845 PolarHBondContact N-O 3.49Å; A843-Y845 HydrophobicContact CB-CD2 4.46Å; A843-Y845 HydrophobicContact CB-CE2 3.87Å; Y845-V857 HydrophobicContact CD1-CB 4.08Å; Y845-V857 HydrophobicContact CD1-CG2 3.5Å; Y845-V857 HydrophobicContact CE1-CG2 3.95Å; Y845-V857 HydrophobicContact CG-CG2 4.26Å; Y845-F858 CarbonylContact C-O 3.46Å; Y845-F858 VanDerWaalsContact CA-O 3.25Å; Y845-F858 WeakPolarHBondContact CA-O 3.43Å; Y845-P859 HydrophobicContact CD1-CB 4.37Å; Y845-P859 HydrophobicContact CE1-CB 4.3Å; Y845-L860 WeakPolarHBondContact O-CD1 3.34Å; Y845-E897 HydrophobicContact CD1-CG 4.32Å; Y845-E897 HydrophobicContact CE1-CG 3.66Å; Y845-E897 WeakPolarHBondContact CE1-OE1 3.22Å; Y845-E897 HydrophobicContact CE2-CG 4.16Å; Y845-E897 VanDerWaalsContact CZ-OE1 3.28Å; Y845-E897 PolarHBondContact OH-OE1 3.26Å; Y845-I901 HydrophobicContact CE2-CD1 3.69Å
846	G	97.1	Very high	89.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	150.8	170.8	0	0	0	0	0	111.4	I792 V857 F858 L860	I792-G846 VanDerWaalsContact O-CA 3.24Å; I792-G846 WeakPolarHBondContact O-CA 3.45Å; G846-V857 CarbonylContact O-C 3.58Å; G846-V857 WeakPolarHBondContact O-CA 3.02Å; G846-F858 PolarHBondContact N-O 2.96Å; G846-F858 VanDerWaalsContact O-CD1 3.27Å; G846-F858 WeakPolarHBondContact O-CD1 3.5Å; G846-F858 PolarHBondContact O-N 2.67Å; G846-L860 VanDerWaalsContact N-CD1 3.29Å
847	F	96.5	Very high	90.2	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	162.6	178.6	62.8	-87.6	0	0	0	110.8	I792 D793 Y794 D849 V857 F891 L894 I917	I792-F847 VanDerWaalsContact C-CE1 3.48Å; I792-F847 WeakPolarHBondContact O-CD1 3.31Å; I792-F847 PolarHBondContact O-N 3.38Å; I792-F847 VanDerWaalsContact O-N 3.16Å; D793-F847 HydrophobicContact CB-CE1 4.24Å; D793-F847 HydrophobicContact CB-CE2 3.92Å; D793-F847 HydrophobicContact CB-CZ 3.6Å; Y794-F847 WeakPolarHBondContact CB-O 3.49Å; Y794-F847 PolarHBondContact N-O 2.95Å; F847-D849 VanDerWaalsContact C-N 3.26Å; F847-D849 PolarHBondContact O-N 3.37Å; F847-V857 HydrophobicContact CB-CG1 4.12Å; F847-F891 AromaticContact CE2-CD1 3.72Å; F847-F891 HydrophobicContact CE2-CD1 3.72Å; F847-F891 AromaticContact CE2-CE1 3.78Å; F847-F891 HydrophobicContact CE2-CE1 3.78Å; F847-F891 AromaticContact CZ-CD1 3.74Å; F847-F891 HydrophobicContact CZ-CD1 3.74Å; F847-F891 AromaticContact CZ-CE1 3.69Å; F847-F891 HydrophobicContact CZ-CE1 3.69Å; F847-L894 HydrophobicContact CD1-CD2 3.92Å; F847-L894 HydrophobicContact CE1-CD2 3.71Å; F847-I917 HydrophobicContact CE1-CG2 4Å; F847-I917 HydrophobicContact CZ-CG2 3.88Å
848	G	93.9	Very high	90.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	74.3	5.5	-179.6	0	0	0	0	0	115.4	Y794 T852 S853 S886 G887	Y794-G848 CarbonylContact O-C 3.59Å; Y794-G848 VanDerWaalsContact O-O 3.14Å; G848-T852 PolarHBondContact N-OG1 2.9Å; G848-S853 WeakPolarHBondContact CA-O 3.35Å; G848-S853 PolarHBondContact N-O 3.35Å; G848-S886 CarbonylContact O-C 3.6Å; G848-S886 VanDerWaalsContact O-C 3.28Å; G848-S886 WeakPolarHBondContact O-CA 3.44Å; G848-S886 WeakPolarHBondContact O-CB 3.44Å; G848-S886 PolarHBondContact O-N 3.05Å; G848-G887 PolarHBondContact O-N 3.34Å
849	D	94.8	Very high	91.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-74	167.4	168.9	100.2	-54.2	0	0	0	111.2	F847 K851 T852 S853 F858 V883 I884	F847-D849 VanDerWaalsContact C-N 3.26Å; F847-D849 PolarHBondContact O-N 3.37Å; D849-K851 PolarHBondContact O-N 3.36Å; D849-K851 WeakPolarHBondContact OD1-CB 3.36Å; D849-K851 PolarHBondContact OD1-N 3.13Å; D849-K851 VanDerWaalsContact OD1-N 3.13Å; D849-K851 WeakPolarHBondContact OD2-CG 3.43Å; D849-K851 PolarHBondContact OD2-N 3.1Å; D849-K851 IonicContact OD2-NZ 3.89Å; D849-K851 PolarHBondContact OD2-NZ 2.83Å; D849-T852 PolarHBondContact N-OG1 3.31Å; D849-T852 PolarHBondContact O-N 3.4Å; D849-T852 VanDerWaalsContact O-N 3.14Å; D849-T852 WeakPolarHBondContact OD1-CB 3.23Å; D849-T852 PolarHBondContact OD1-N 3.15Å; D849-T852 PolarHBondContact OD1-OG1 3.32Å; D849-S853 PolarHBondContact O-N 3.2Å; D849-F858 HydrophobicContact CB-CE1 3.96Å; D849-V883 HydrophobicContact CB-CG1 3.47Å; D849-V883 VanDerWaalsContact CB-CG1 3.47Å; D849-I884 WeakPolarHBondContact CA-O 3.42Å
850	V	92.6	Very high	92.8	Very high	59 Å²	59	37.7 Å²	37.7	36%	0.358	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-16.3	-179.5	80.6	0	0	0	0	114.7	I884	V850-I884 HydrophobicContact CB-CB 4.16Å; V850-I884 HydrophobicContact CB-CG2 4.02Å; V850-I884 HydrophobicContact CG1-CB 3.69Å; V850-I884 HydrophobicContact CG1-CD1 3.82Å; V850-I884 HydrophobicContact CG1-CG1 4.39Å; V850-I884 HydrophobicContact CG1-CG2 3.91Å; V850-I884 PolarHBondContact N-O 2.97Å
851	K	91.7	Very high	93.6	Very high	145 Å²	145	38.3 Å²	38.3	63%	0.63	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-31.4	179.7	-53.7	178.9	-149.6	76.3	0	112.6	D849	D849-K851 PolarHBondContact O-N 3.36Å; D849-K851 WeakPolarHBondContact OD1-CB 3.36Å; D849-K851 PolarHBondContact OD1-N 3.13Å; D849-K851 VanDerWaalsContact OD1-N 3.13Å; D849-K851 WeakPolarHBondContact OD2-CG 3.43Å; D849-K851 PolarHBondContact OD2-N 3.1Å; D849-K851 IonicContact OD2-NZ 3.89Å; D849-K851 PolarHBondContact OD2-NZ 2.83Å
852	T	91.1	Very high	93.7	Very high	8 Å²	8	42.9 Å²	42.9	5%	0.049	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-36.3	-175.9	45.7	0	0	0	0	113.6	G848 D849 L855 S856 F858	G848-T852 PolarHBondContact N-OG1 2.9Å; D849-T852 PolarHBondContact N-OG1 3.31Å; D849-T852 PolarHBondContact O-N 3.4Å; D849-T852 VanDerWaalsContact O-N 3.14Å; D849-T852 WeakPolarHBondContact OD1-CB 3.23Å; D849-T852 PolarHBondContact OD1-N 3.15Å; D849-T852 PolarHBondContact OD1-OG1 3.32Å; T852-L855 PolarHBondContact O-N 2.75Å; T852-L855 VanDerWaalsContact O-N 3.17Å; T852-S856 VanDerWaalsContact CA-OG 3.3Å; T852-S856 WeakPolarHBondContact CA-OG 3.28Å; T852-S856 WeakPolarHBondContact CB-O 3.45Å; T852-S856 PolarHBondContact O-N 2.74Å; T852-S856 PolarHBondContact O-OG 3.34Å; T852-F858 HydrophobicContact CG2-CB 3.98Å; T852-F858 HydrophobicContact CG2-CD1 3.78Å; T852-F858 HydrophobicContact CG2-CG 4.38Å
853	S	90.8	Very high	93.4	Very high	36 Å²	36	49.9 Å²	49.9	25%	0.252	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	-137.2	-174.8	-163.7	0	0	0	0	110.6	G848 D849 G887 P888	G848-S853 WeakPolarHBondContact CA-O 3.35Å; G848-S853 PolarHBondContact N-O 3.35Å; D849-S853 PolarHBondContact O-N 3.2Å; S853-G887 PolarHBondContact OG-O 2.78Å; S853-P888 VanDerWaalsContact OG-CD 3.3Å; S853-P888 WeakPolarHBondContact OG-CD 3.27Å
854	D	87.8	Confident	93	Very high	32 Å²	32	52.4 Å²	52.4	17%	0.171	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	3.9	174.5	63.5	-24.3	0	0	0	114.4	P888 N890 P893 N925	D854-P888 HydrophobicContact CB-CG 3.85Å; D854-N890 HydrophobicContact CB-CB 3.63Å; D854-N890 PolarHBondContact O-ND2 2.84Å; D854-P893 WeakPolarHBondContact O-CG 3.27Å; D854-N925 PolarHBondContact OD2-ND2 3.37Å
855	L	90	Very high	92.6	Very high	141 Å²	141	55.7 Å²	55.7	74%	0.738	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-17.5	-167.4	-58.6	-179.1	0	0	0	114.8	T852	T852-L855 PolarHBondContact O-N 2.75Å; T852-L855 VanDerWaalsContact O-N 3.17Å
856	S	93.3	Very high	92.4	Very high	48 Å²	48	54.6 Å²	54.6	34%	0.336	29%	0.29	S	S	.	.			trans	-160.2	179.9	-169	58.4	0	0	0	0	112.7	T852	T852-S856 VanDerWaalsContact CA-OG 3.3Å; T852-S856 WeakPolarHBondContact CA-OG 3.28Å; T852-S856 WeakPolarHBondContact CB-O 3.45Å; T852-S856 PolarHBondContact O-N 2.74Å; T852-S856 PolarHBondContact O-OG 3.34Å
857	V	96.2	Very high	92.2	Very high	30 Å²	30	61.8 Å²	61.8	18%	0.182	32%	0.317	C	S	.	.			trans	-130.8	155	172.5	-59.4	0	0	0	0	110.8	Y845 G846 F847 P893 L894 E897	Y845-V857 HydrophobicContact CD1-CB 4.08Å; Y845-V857 HydrophobicContact CD1-CG2 3.5Å; Y845-V857 HydrophobicContact CE1-CG2 3.95Å; Y845-V857 HydrophobicContact CG-CG2 4.26Å; G846-V857 CarbonylContact O-C 3.58Å; G846-V857 WeakPolarHBondContact O-CA 3.02Å; F847-V857 HydrophobicContact CB-CG1 4.12Å; V857-P893 HydrophobicContact CG1-CB 4.08Å; V857-L894 HydrophobicContact CG1-CB 3.85Å; V857-L894 HydrophobicContact CG1-CD1 4.34Å; V857-E897 HydrophobicContact CG2-CB 4Å; V857-E897 HydrophobicContact CG2-CG 3.95Å
858	F	96.2	Very high	91.9	Very high	39 Å²	39	63.7 Å²	63.7	17%	0.171	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.1	172.4	71.4	-94.2	0	0	0	110.6	Y794 Y845 G846 D849 T852 L860 V879 V883	Y794-F858 AromaticContact CD2-CE1 3.9Å; Y794-F858 HydrophobicContact CD2-CE1 3.9Å; Y794-F858 AromaticContact CD2-CZ 3.61Å; Y794-F858 HydrophobicContact CD2-CZ 3.61Å; Y794-F858 HydrophobicContact CE2-CE1 4.28Å; Y794-F858 HydrophobicContact CE2-CE2 4.35Å; Y794-F858 AromaticContact CE2-CZ 3.55Å; Y794-F858 HydrophobicContact CE2-CZ 3.55Å; Y794-F858 HydrophobicContact CG-CZ 4.41Å; Y845-F858 CarbonylContact C-O 3.46Å; Y845-F858 VanDerWaalsContact CA-O 3.25Å; Y845-F858 WeakPolarHBondContact CA-O 3.43Å; G846-F858 PolarHBondContact N-O 2.96Å; G846-F858 VanDerWaalsContact O-CD1 3.27Å; G846-F858 WeakPolarHBondContact O-CD1 3.5Å; G846-F858 PolarHBondContact O-N 2.67Å; D849-F858 HydrophobicContact CB-CE1 3.96Å; T852-F858 HydrophobicContact CG2-CB 3.98Å; T852-F858 HydrophobicContact CG2-CD1 3.78Å; T852-F858 HydrophobicContact CG2-CG 4.38Å; F858-L860 HydrophobicContact CE2-CD1 4.04Å; F858-L860 PolarHBondContact O-N 2.89Å; F858-V879 HydrophobicContact CE2-CG1 4.23Å; F858-V883 HydrophobicContact CE1-CG1 4.42Å; F858-V883 HydrophobicContact CE2-CG2 4.43Å; F858-V883 HydrophobicContact CZ-CG1 4.17Å; F858-V883 HydrophobicContact CZ-CG2 3.95Å
859	P	96.1	Very high	91.8	Very high	67 Å²	67	64.3 Å²	64.3	44%	0.435	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.8	173	29.1	-33.4	0	0	0	110	Y845 K861	Y845-P859 HydrophobicContact CD1-CB 4.37Å; Y845-P859 HydrophobicContact CE1-CB 4.3Å; P859-K861 VanDerWaalsContact C-N 3.26Å; P859-K861 PolarHBondContact O-N 2.87Å
860	L	95.6	Very high	91.8	Very high	6 Å²	6	68.4 Å²	68.4	3%	0.031	35%	0.35	C	S	.	.	S	Bend	trans	-57.4	-43.9	175.7	-97.8	70.4	0	0	0	110.6	I792 Y794 A844 Y845 G846 F858 V875	I792-L860 HydrophobicContact CG1-CD2 4.33Å; Y794-L860 HydrophobicContact CE2-CD1 4.18Å; A844-L860 HydrophobicContact CB-CB 4.19Å; A844-L860 HydrophobicContact CB-CD2 4.45Å; A844-L860 PolarHBondContact O-N 3.32Å; Y845-L860 WeakPolarHBondContact O-CD1 3.34Å; G846-L860 VanDerWaalsContact N-CD1 3.29Å; F858-L860 HydrophobicContact CE2-CD1 4.04Å; F858-L860 PolarHBondContact O-N 2.89Å; L860-V875 HydrophobicContact CB-CG1 3.86Å; L860-V875 WeakPolarHBondContact O-CG1 3.49Å
861	K	94.3	Very high	92	Very high	52 Å²	52	67 Å²	67	23%	0.226	34%	0.339	C	S	.	.	S	Bend	trans	-94.6	109.2	176.9	-171	175.5	169.7	-173.7	0	110	P859 I863 G864 R865 E871 V875	P859-K861 VanDerWaalsContact C-N 3.26Å; P859-K861 PolarHBondContact O-N 2.87Å; K861-I863 WeakPolarHBondContact CE-O 3.2Å; K861-I863 PolarHBondContact O-N 3.15Å; K861-I863 VanDerWaalsContact O-N 3.1Å; K861-G864 WeakPolarHBondContact CD-O 3.48Å; K861-G864 WeakPolarHBondContact CG-O 3.48Å; K861-R865 PolarHBondContact NZ-O 3.07Å; K861-E871 WeakPolarHBondContact CE-OE1 3.41Å; K861-E871 IonicContact NZ-OE1 3.49Å; K861-E871 PolarHBondContact NZ-OE1 3.04Å; K861-V875 HydrophobicContact CB-CG1 4.3Å; K861-V875 HydrophobicContact CB-CG2 4.46Å
862	K	88.4	Confident	92.2	Very high	197 Å²	197	60.1 Å²	60.1	86%	0.857	31%	0.309	S	S	*	.	S	Bend	trans	-61.1	-19	-175.7	-63.4	-176.8	-179.6	179.2	0	115.6
863	I	86.2	Confident	92.4	Very high	148 Å²	148	61.3 Å²	61.3	76%	0.759	32%	0.315	S	S	*	.	S	Bend	trans	-139.5	104.4	-175.9	-56.2	178.9	0	0	0	109.1	K861	K861-I863 WeakPolarHBondContact CE-O 3.2Å; K861-I863 PolarHBondContact O-N 3.15Å; K861-I863 VanDerWaalsContact O-N 3.1Å
864	G	85.6	Confident	92.7	Very high	57 Å²	57	63.5 Å²	63.5	59%	0.588	32%	0.324	S	S	*	.	S	Bend	trans	68.9	176.4	-178.4	0	0	0	0	0	114	K861	K861-G864 WeakPolarHBondContact CD-O 3.48Å; K861-G864 WeakPolarHBondContact CG-O 3.48Å
865	R	89.3	Confident	93.1	Very high	79 Å²	79	62.9 Å²	62.9	30%	0.298	32%	0.321	S	S	.	.			trans	-87.2	163.2	-178.4	-63.5	178.3	-174.2	170.8	-0.4	111.6	F841 A843 K861 E905	F841-R865 HydrophobicContact CB-CB 4.03Å; F841-R865 HydrophobicContact CD1-CB 4.4Å; F841-R865 HydrophobicContact CG-CB 4.48Å; A843-R865 HydrophobicContact CB-CG 4.38Å; K861-R865 PolarHBondContact NZ-O 3.07Å; R865-E905 IonicContact CZ-OE1 2.72Å; R865-E905 IonicContact NH1-OE1 2.81Å; R865-E905 PolarHBondContact NH1-OE1 3.14Å; R865-E905 IonicContact NH2-OE1 3.25Å; R865-E905 PolarHBondContact NH2-OE1 3.31Å
866	C	92.9	Very high	93.5	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.007	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-73.4	152.5	173.6	-64.2	0	0	0	0	109.7	F841 I842 E871 V872	F841-C866 CarbonylContact C-O 3.27Å; F841-C866 WeakPolarHBondContact CA-O 3.44Å; I842-C866 PolarHBondContact N-O 3.48Å; I842-C866 PolarHBondContact O-N 2.77Å; C866-E871 HydrophobicContact CB-CB 4.12Å; C866-E871 HydrophobicContact CB-CG 4.03Å; C866-V872 HydrophobicContact CB-CG2 3.6Å
867	R	92	Very high	93.7	Very high	151 Å²	151	56.1 Å²	56.1	57%	0.57	28%	0.282	S	S	*	.	S	Bend	trans	-88.2	-27.3	179.9	-66.5	164.5	-64.6	130.5	20.8	113.6	F841 E871	F841-R867 HydrophobicContact CD1-CG 4.23Å; F841-R867 HydrophobicContact CE1-CG 4Å; R867-E871 IonicContact CZ-OE2 2.75Å; R867-E871 VanDerWaalsContact CZ-OE2 3.25Å; R867-E871 PolarHBondContact N-OE2 3.06Å; R867-E871 IonicContact NE-OE2 3.44Å; R867-E871 PolarHBondContact NE-OE2 2.86Å; R867-E871 IonicContact NH2-OE2 2.65Å; R867-E871 PolarHBondContact NH2-OE2 3.18Å
868	N	91.5	Very high	93.7	Very high	41 Å²	41	61.1 Å²	61.1	22%	0.219	30%	0.301	C	S	.	.	S	Bend	trans	-155.4	166.5	-171	58.7	-26.2	0	0	0	110.1	E870 E871 V872	N868-E870 VanDerWaalsContact CB-OE2 3.3Å; N868-E870 WeakPolarHBondContact CB-OE2 3.41Å; N868-E870 PolarHBondContact ND2-OE2 3.37Å; N868-E870 PolarHBondContact O-N 3Å; N868-E871 PolarHBondContact O-N 3.24Å; N868-E871 VanDerWaalsContact O-N 3.13Å; N868-E871 WeakPolarHBondContact OD1-CB 3.15Å; N868-E871 PolarHBondContact OD1-N 2.71Å; N868-V872 PolarHBondContact O-N 2.87Å
869	F	92.3	Very high	93.6	Very high	14 Å²	14	61.2 Å²	61.2	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-65.5	-29.5	-178.2	75.7	-92.7	0	0	0	112	G830 K831 Q834 I842 E871 V872 L873	G830-F869 VanDerWaalsContact C-CD1 3.42Å; G830-F869 VanDerWaalsContact CA-CB 3.48Å; K831-F869 HydrophobicContact CB-CE1 4.38Å; K831-F869 HydrophobicContact CB-CZ 4.45Å; K831-F869 HydrophobicContact CD-CZ 4.32Å; K831-F869 HydrophobicContact CG-CD1 4.48Å; K831-F869 HydrophobicContact CG-CE1 3.69Å; K831-F869 HydrophobicContact CG-CE2 3.83Å; K831-F869 HydrophobicContact CG-CZ 3.33Å; Q834-F869 HydrophobicContact CB-CD1 4.35Å; I842-F869 HydrophobicContact CD1-CB 4.34Å; F869-E871 VanDerWaalsContact C-N 3.31Å; F869-E871 PolarHBondContact O-N 3.24Å; F869-V872 WeakPolarHBondContact O-CB 3.47Å; F869-V872 PolarHBondContact O-N 2.66Å; F869-V872 VanDerWaalsContact O-N 3.16Å; F869-L873 PolarHBondContact O-N 3.17Å
870	E	94.8	Very high	93.7	Very high	86 Å²	86	58.5 Å²	58.5	40%	0.402	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-41.6	174.3	-59.1	91.6	149.5	0	0	110.6	N868 L873 D874	N868-E870 VanDerWaalsContact CB-OE2 3.3Å; N868-E870 WeakPolarHBondContact CB-OE2 3.41Å; N868-E870 PolarHBondContact ND2-OE2 3.37Å; N868-E870 PolarHBondContact O-N 3Å; E870-L873 PolarHBondContact O-N 3.18Å; E870-D874 WeakPolarHBondContact O-CB 3.25Å; E870-D874 PolarHBondContact O-N 2.66Å
871	E	95.3	Very high	93.7	Very high	29 Å²	29	62.7 Å²	62.7	14%	0.136	32%	0.315	C	S	.	.	H	α-helix	trans	-70.4	-29.1	175.7	-173.8	173.5	-178.9	0	0	112.9	K861 C866 R867 N868 F869 V875	K861-E871 WeakPolarHBondContact CE-OE1 3.41Å; K861-E871 IonicContact NZ-OE1 3.49Å; K861-E871 PolarHBondContact NZ-OE1 3.04Å; C866-E871 HydrophobicContact CB-CB 4.12Å; C866-E871 HydrophobicContact CB-CG 4.03Å; R867-E871 IonicContact CZ-OE2 2.75Å; R867-E871 VanDerWaalsContact CZ-OE2 3.25Å; R867-E871 PolarHBondContact N-OE2 3.06Å; R867-E871 IonicContact NE-OE2 3.44Å; R867-E871 PolarHBondContact NE-OE2 2.86Å; R867-E871 IonicContact NH2-OE2 2.65Å; R867-E871 PolarHBondContact NH2-OE2 3.18Å; N868-E871 PolarHBondContact O-N 3.24Å; N868-E871 VanDerWaalsContact O-N 3.13Å; N868-E871 WeakPolarHBondContact OD1-CB 3.15Å; N868-E871 PolarHBondContact OD1-N 2.71Å; F869-E871 VanDerWaalsContact C-N 3.31Å; F869-E871 PolarHBondContact O-N 3.24Å; E871-V875 HydrophobicContact CG-CG2 4.41Å; E871-V875 WeakPolarHBondContact O-CB 3.46Å; E871-V875 VanDerWaalsContact O-CG2 3.23Å; E871-V875 WeakPolarHBondContact O-CG2 3.49Å; E871-V875 PolarHBondContact O-N 3.31Å
872	V	95.9	Very high	93.6	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-49.2	170.5	178.9	0	0	0	0	110.5	F790 I826 I842 A844 C866 N868 F869 D874 V875 Y876	F790-V872 HydrophobicContact CD2-CG1 4.46Å; I826-V872 HydrophobicContact CG2-CB 4.27Å; I826-V872 HydrophobicContact CG2-CG1 3.98Å; I842-V872 HydrophobicContact CB-CG2 4.01Å; I842-V872 HydrophobicContact CD1-CG2 4.47Å; I842-V872 HydrophobicContact CG2-CG2 3.77Å; A844-V872 HydrophobicContact CB-CG1 4.09Å; A844-V872 HydrophobicContact CB-CG2 4.45Å; C866-V872 HydrophobicContact CB-CG2 3.6Å; N868-V872 PolarHBondContact O-N 2.87Å; F869-V872 WeakPolarHBondContact O-CB 3.47Å; F869-V872 PolarHBondContact O-N 2.66Å; F869-V872 VanDerWaalsContact O-N 3.16Å; V872-D874 VanDerWaalsContact C-N 3.33Å; V872-D874 PolarHBondContact O-N 2.86Å; V872-V875 PolarHBondContact O-N 2.75Å; V872-Y876 WeakPolarHBondContact O-CB 3.44Å; V872-Y876 PolarHBondContact O-N 3.22Å
873	L	96.3	Very high	93.9	Very high	33 Å²	33	54.5 Å²	54.5	17%	0.173	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-42.9	176.8	-178.3	62.1	0	0	0	111.4	Q823 I826 F869 E870 V875 Y876 N877	Q823-L873 HydrophobicContact CB-CD1 3.75Å; Q823-L873 HydrophobicContact CG-CD1 3.72Å; I826-L873 HydrophobicContact CG2-CB 4.15Å; F869-L873 PolarHBondContact O-N 3.17Å; E870-L873 PolarHBondContact O-N 3.18Å; L873-V875 VanDerWaalsContact C-N 3.33Å; L873-V875 PolarHBondContact O-N 3.16Å; L873-Y876 PolarHBondContact O-N 3.34Å; L873-N877 WeakPolarHBondContact O-CB 3.35Å; L873-N877 PolarHBondContact O-N 3.23Å; L873-N877 PolarHBondContact O-ND2 3.36Å; L873-N877 PolarHBondContact O-OD1 2.89Å
874	D	96.3	Very high	94.3	Very high	82 Å²	82	48.7 Å²	48.7	44%	0.439	27%	0.268	S	S	.	.	H	α-helix	trans	-67.7	-30.7	-179.5	-150.7	36.8	0	0	0	112.3	E870 V872 K878	E870-D874 WeakPolarHBondContact O-CB 3.25Å; E870-D874 PolarHBondContact O-N 2.66Å; V872-D874 VanDerWaalsContact C-N 3.33Å; V872-D874 PolarHBondContact O-N 2.86Å; D874-K878 WeakPolarHBondContact O-CD 3.3Å; D874-K878 WeakPolarHBondContact O-CE 3.5Å; D874-K878 WeakPolarHBondContact O-CG 3.3Å; D874-K878 PolarHBondContact O-NZ 3.21Å; D874-K878 IonicContact OD1-NZ 2.6Å; D874-K878 PolarHBondContact OD1-NZ 2.88Å; D874-K878 IonicContact OD2-NZ 3.19Å; D874-K878 PolarHBondContact OD2-NZ 3.05Å
875	V	97	Very high	94.8	Very high	19 Å²	19	46.6 Å²	46.6	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-78.6	-43.9	171.6	173.8	0	0	0	0	111.3	L860 K861 E871 V872 L873 N877 K878 V879	L860-V875 HydrophobicContact CB-CG1 3.86Å; L860-V875 WeakPolarHBondContact O-CG1 3.49Å; K861-V875 HydrophobicContact CB-CG1 4.3Å; K861-V875 HydrophobicContact CB-CG2 4.46Å; E871-V875 HydrophobicContact CG-CG2 4.41Å; E871-V875 WeakPolarHBondContact O-CB 3.46Å; E871-V875 VanDerWaalsContact O-CG2 3.23Å; E871-V875 WeakPolarHBondContact O-CG2 3.49Å; E871-V875 PolarHBondContact O-N 3.31Å; V872-V875 PolarHBondContact O-N 2.75Å; L873-V875 VanDerWaalsContact C-N 3.33Å; L873-V875 PolarHBondContact O-N 3.16Å; V875-N877 VanDerWaalsContact C-N 3.32Å; V875-N877 PolarHBondContact O-N 2.79Å; V875-K878 PolarHBondContact O-N 3.07Å; V875-V879 HydrophobicContact CG1-CG2 3.84Å; V875-V879 WeakPolarHBondContact O-CB 3.44Å; V875-V879 WeakPolarHBondContact O-CG2 3.34Å; V875-V879 PolarHBondContact O-N 3.01Å
876	Y	97.8	Very high	94.9	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-53	-49.8	174	170.9	-92.5	0	0	0	111	I792 Y794 H812 I814 N820 Y822 Q823 I826 V872 L873 K878 V879 T880	I792-Y876 HydrophobicContact CG2-CD2 4.16Å; I792-Y876 HydrophobicContact CG2-CE2 3.89Å; Y794-Y876 HydrophobicContact CE1-CE2 4.49Å; Y794-Y876 WeakPolarHBondContact OH-CD2 3.26Å; H812-Y876 AromaticContact ND1-CZ 3.97Å; H812-Y876 PolarHBondContact ND1-OH 2.66Å; H812-Y876 VanDerWaalsContact ND1-OH 3.07Å; I814-Y876 HydrophobicContact CD1-CD1 4.12Å; I814-Y876 HydrophobicContact CD1-CE1 3.52Å; N820-Y876 PolarHBondContact OD1-OH 3Å; Y822-Y876 WeakPolarHBondContact CB-OH 3.24Å; Q823-Y876 HydrophobicContact CG-CD1 3.89Å; Q823-Y876 HydrophobicContact CG-CE1 3.49Å; Q823-Y876 VanDerWaalsContact CG-CE1 3.49Å; I826-Y876 HydrophobicContact CD1-CD2 4.35Å; I826-Y876 HydrophobicContact CD1-CG 4.22Å; V872-Y876 WeakPolarHBondContact O-CB 3.44Å; V872-Y876 PolarHBondContact O-N 3.22Å; L873-Y876 PolarHBondContact O-N 3.34Å; Y876-K878 PolarHBondContact O-N 3.36Å; Y876-K878 VanDerWaalsContact O-N 3.14Å; Y876-V879 PolarHBondContact O-N 3.04Å; Y876-T880 WeakPolarHBondContact CD2-OG1 3.33Å; Y876-T880 HydrophobicContact CE2-CG2 4.3Å; Y876-T880 WeakPolarHBondContact CE2-OG1 3.34Å; Y876-T880 WeakPolarHBondContact O-CB 3.32Å; Y876-T880 PolarHBondContact O-N 2.89Å; Y876-T880 PolarHBondContact O-OG1 2.86Å
877	N	97	Very high	94.8	Very high	47 Å²	47	44.5 Å²	44.5	25%	0.251	24%	0.242	S	C	.	.	H	α-helix	trans	-58.2	-29.3	178.6	-68.2	-15.3	0	0	0	113.8	Q823 L873 V875 P881	Q823-N877 PolarHBondContact NE2-OD1 3Å; L873-N877 WeakPolarHBondContact O-CB 3.35Å; L873-N877 PolarHBondContact O-N 3.23Å; L873-N877 PolarHBondContact O-ND2 3.36Å; L873-N877 PolarHBondContact O-OD1 2.89Å; V875-N877 VanDerWaalsContact C-N 3.32Å; V875-N877 PolarHBondContact O-N 2.79Å; N877-P881 WeakPolarHBondContact O-CD 3.17Å
878	K	96.2	Very high	94.6	Very high	136 Å²	136	39.9 Å²	39.9	59%	0.591	23%	0.232	S	C	*	.	H	α-helix	trans	-92.1	-27.1	-178.5	-67.7	165.1	-159.6	159.8	0	113.3	D874 V875 Y876	D874-K878 WeakPolarHBondContact O-CD 3.3Å; D874-K878 WeakPolarHBondContact O-CE 3.5Å; D874-K878 WeakPolarHBondContact O-CG 3.3Å; D874-K878 PolarHBondContact O-NZ 3.21Å; D874-K878 IonicContact OD1-NZ 2.6Å; D874-K878 PolarHBondContact OD1-NZ 2.88Å; D874-K878 IonicContact OD2-NZ 3.19Å; D874-K878 PolarHBondContact OD2-NZ 3.05Å; V875-K878 PolarHBondContact O-N 3.07Å; Y876-K878 PolarHBondContact O-N 3.36Å; Y876-K878 VanDerWaalsContact O-N 3.14Å
879	V	95.8	Very high	94.6	Very high	41 Å²	41	38.3 Å²	38.3	25%	0.248	22%	0.223	C	C	.	.	H	α-helix	trans	-92.1	-47.6	-176	171.5	0	0	0	0	111	F858 V875 Y876 P881 G882 V883	F858-V879 HydrophobicContact CE2-CG1 4.23Å; V875-V879 HydrophobicContact CG1-CG2 3.84Å; V875-V879 WeakPolarHBondContact O-CB 3.44Å; V875-V879 WeakPolarHBondContact O-CG2 3.34Å; V875-V879 PolarHBondContact O-N 3.01Å; Y876-V879 PolarHBondContact O-N 3.04Å; V879-P881 VanDerWaalsContact C-CD 3.48Å; V879-G882 PolarHBondContact O-N 2.82Å; V879-V883 HydrophobicContact CG1-CG2 3.69Å; V879-V883 PolarHBondContact O-N 2.85Å
880	T	96.6	Very high	94.5	Very high	9 Å²	9	37.8 Å²	37.8	6%	0.055	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-49.1	-43.9	-174.3	-66.6	0	0	0	0	114.5	Y794 H812 I814 Y876 G882 V883	Y794-T880 HydrophobicContact CE1-CG2 4.05Å; Y794-T880 WeakPolarHBondContact CE1-OG1 3.47Å; Y794-T880 PolarHBondContact OH-OG1 3.42Å; H812-T880 HydrophobicContact CB-CG2 3.69Å; I814-T880 HydrophobicContact CD1-CG2 4.13Å; I814-T880 HydrophobicContact CG1-CG2 4.28Å; Y876-T880 WeakPolarHBondContact CD2-OG1 3.33Å; Y876-T880 HydrophobicContact CE2-CG2 4.3Å; Y876-T880 WeakPolarHBondContact CE2-OG1 3.34Å; Y876-T880 WeakPolarHBondContact O-CB 3.32Å; Y876-T880 PolarHBondContact O-N 2.89Å; Y876-T880 PolarHBondContact O-OG1 2.86Å; T880-G882 PolarHBondContact O-N 2.83Å; T880-G882 VanDerWaalsContact O-N 3.08Å; T880-V883 PolarHBondContact O-N 3.13Å; T880-V883 VanDerWaalsContact O-N 3.09Å
881	P	95.6	Very high	94.5	Very high	95 Å²	95	33.8 Å²	33.8	62%	0.617	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-63.9	-13.2	177.7	-23.3	35.6	0	0	0	115.7	I814 N877 V879	I814-P881 HydrophobicContact CG1-CG 3.98Å; N877-P881 WeakPolarHBondContact O-CD 3.17Å; V879-P881 VanDerWaalsContact C-CD 3.48Å
882	G	93.7	Very high	94.6	Very high	59 Å²	59	32.6 Å²	32.6	61%	0.608	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-113	10.9	175.5	0	0	0	0	0	114.1	V879 T880	V879-G882 PolarHBondContact O-N 2.82Å; T880-G882 PolarHBondContact O-N 2.83Å; T880-G882 VanDerWaalsContact O-N 3.08Å
883	V	94.6	Very high	94.6	Very high	18 Å²	18	33.6 Å²	33.6	11%	0.109	20%	0.204	C	C	.	.			trans	-92.2	135	171.9	-176.6	0	0	0	0	109.1	Y794 D849 F858 V879 T880	Y794-V883 HydrophobicContact CD1-CB 3.92Å; Y794-V883 HydrophobicContact CD1-CG1 3.62Å; Y794-V883 HydrophobicContact CD1-CG2 4.28Å; Y794-V883 HydrophobicContact CD2-CG1 4.35Å; Y794-V883 HydrophobicContact CE1-CB 4.06Å; Y794-V883 HydrophobicContact CE1-CG1 4.18Å; Y794-V883 HydrophobicContact CE1-CG2 4Å; Y794-V883 HydrophobicContact CG-CB 4.46Å; Y794-V883 HydrophobicContact CG-CG1 3.7Å; D849-V883 HydrophobicContact CB-CG1 3.47Å; D849-V883 VanDerWaalsContact CB-CG1 3.47Å; F858-V883 HydrophobicContact CE1-CG1 4.42Å; F858-V883 HydrophobicContact CE2-CG2 4.43Å; F858-V883 HydrophobicContact CZ-CG1 4.17Å; F858-V883 HydrophobicContact CZ-CG2 3.95Å; V879-V883 HydrophobicContact CG1-CG2 3.69Å; V879-V883 PolarHBondContact O-N 2.85Å; T880-V883 PolarHBondContact O-N 3.13Å; T880-V883 VanDerWaalsContact O-N 3.09Å
884	I	94.8	Very high	94.6	Very high	26 Å²	26	32 Å²	32	13%	0.133	20%	0.196	C	C	.	.			trans	-102.5	106	-175.1	-56.1	149.2	0	0	0	106.7	I116 D849 V850	I116-I884 HydrophobicContact CD1-CB 4.34Å; I116-I884 HydrophobicContact CD1-CD1 3.51Å; I116-I884 HydrophobicContact CD1-CG1 3.68Å; I116-I884 HydrophobicContact CD1-CG2 3.71Å; I116-I884 HydrophobicContact CG1-CD1 3.81Å; I116-I884 HydrophobicContact CG1-CG1 4.23Å; I116-I884 HydrophobicContact CG2-CD1 3.98Å; D849-I884 WeakPolarHBondContact CA-O 3.42Å; V850-I884 HydrophobicContact CB-CB 4.16Å; V850-I884 HydrophobicContact CB-CG2 4.02Å; V850-I884 HydrophobicContact CG1-CB 3.69Å; V850-I884 HydrophobicContact CG1-CD1 3.82Å; V850-I884 HydrophobicContact CG1-CG1 4.39Å; V850-I884 HydrophobicContact CG1-CG2 3.91Å; V850-I884 PolarHBondContact N-O 2.97Å
885	L	94.1	Very high	94.7	Very high	13 Å²	13	28.1 Å²	28.1	7%	0.068	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-68.9	134.3	-170.3	-51.1	178.4	0	0	0	111.5	Y794 N798 K799	Y794-L885 HydrophobicContact CD1-CD2 3.81Å; Y794-L885 HydrophobicContact CG-CD2 4.35Å; Y794-L885 WeakPolarHBondContact O-CA 3.48Å; Y794-L885 WeakPolarHBondContact O-CB 3.41Å; Y794-L885 VanDerWaalsContact O-CD2 3.31Å; Y794-L885 WeakPolarHBondContact O-CD2 3.47Å; N798-L885 HydrophobicContact CB-CD1 4.46Å; K799-L885 HydrophobicContact CD-CD1 4.45Å; K799-L885 HydrophobicContact CG-CD1 3.75Å
886	S	93.2	Very high	94.7	Very high	24 Å²	24	31.7 Å²	31.7	17%	0.168	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-142.9	-99.2	-172.8	-167.2	0	0	0	0	113.7	Y794 A796 G848	Y794-S886 PolarHBondContact O-N 2.78Å; A796-S886 WeakPolarHBondContact CB-O 3.27Å; A796-S886 PolarHBondContact N-O 3.11Å; G848-S886 CarbonylContact O-C 3.6Å; G848-S886 VanDerWaalsContact O-C 3.28Å; G848-S886 WeakPolarHBondContact O-CA 3.44Å; G848-S886 WeakPolarHBondContact O-CB 3.44Å; G848-S886 PolarHBondContact O-N 3.05Å
887	G	89.6	Confident	94.6	Very high	11 Å²	11	34.4 Å²	34.4	11%	0.113	20%	0.2	C	C	.	.			trans	124.8	-172.9	-169.6	0	0	0	0	0	112.5	G848 S853	G848-G887 PolarHBondContact O-N 3.34Å; S853-G887 PolarHBondContact OG-O 2.78Å
888	P	89.1	Confident	94.6	Very high	55 Å²	55	32.2 Å²	32.2	36%	0.357	19%	0.188	S	C	.	.			cis	-79.4	-175.4	-0.6	36.2	-33.3	0	0	0	111.4	S853 D854 T924	S853-P888 VanDerWaalsContact OG-CD 3.3Å; S853-P888 WeakPolarHBondContact OG-CD 3.27Å; D854-P888 HydrophobicContact CB-CG 3.85Å; P888-T924 HydrophobicContact CB-CG2 4.07Å; P888-T924 WeakPolarHBondContact CB-OG1 3.49Å
889	T	89.6	Confident	94.6	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.043	16%	0.16	C	C	.	.			trans	-102.7	110	-163.6	-42.8	0	0	0	0	111.8	T795 F891 Q922 V923 T924 N925	T795-T889 HydrophobicContact CG2-CG2 4.06Å; T795-T889 VanDerWaalsContact CG2-OG1 3.3Å; T795-T889 WeakPolarHBondContact CG2-OG1 3.24Å; T889-F891 HydrophobicContact CG2-CE1 4.22Å; T889-Q922 WeakPolarHBondContact CB-O 3.5Å; T889-Q922 PolarHBondContact OG1-O 3Å; T889-V923 HydrophobicContact CG2-CG2 4.2Å; T889-T924 PolarHBondContact N-OG1 3.07Å; T889-T924 PolarHBondContact O-N 3.33Å; T889-T924 PolarHBondContact O-OG1 3.23Å; T889-T924 VanDerWaalsContact O-OG1 3.05Å; T889-N925 PolarHBondContact O-N 3.38Å
890	N	92.2	Very high	94.5	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	17%	0.165	C	C	.	.			trans	-137	124	-178.8	-170	9	0	0	0	111.2	D854 A892 N925 E928 T929	D854-N890 HydrophobicContact CB-CB 3.63Å; D854-N890 PolarHBondContact O-ND2 2.84Å; N890-A892 VanDerWaalsContact OD1-CB 3.26Å; N890-A892 WeakPolarHBondContact OD1-CB 3.25Å; N890-A892 PolarHBondContact OD1-N 2.9Å; N890-A892 VanDerWaalsContact OD1-N 3.08Å; N890-N925 HydrophobicContact CB-CB 3.79Å; N890-N925 VanDerWaalsContact CG-CB 3.44Å; N890-N925 PolarHBondContact ND2-ND2 2.95Å; N890-E928 PolarHBondContact ND2-OE2 2.97Å; N890-T929 PolarHBondContact OD1-OG1 3.18Å; N890-T929 VanDerWaalsContact OD1-OG1 3.08Å
891	F	94.8	Very high	94.3	Very high	1 Å²	1	26.6 Å²	26.6	0%	0.004	16%	0.163	C	C	.	.	S	Bend	trans	-86.3	-13	175.8	-57.8	-22	0	0	0	112.4	F847 T889 L894 I895 I917 A919 V923 T929 V945 M956	F847-F891 AromaticContact CE2-CD1 3.72Å; F847-F891 HydrophobicContact CE2-CD1 3.72Å; F847-F891 AromaticContact CE2-CE1 3.78Å; F847-F891 HydrophobicContact CE2-CE1 3.78Å; F847-F891 AromaticContact CZ-CD1 3.74Å; F847-F891 HydrophobicContact CZ-CD1 3.74Å; F847-F891 AromaticContact CZ-CE1 3.69Å; F847-F891 HydrophobicContact CZ-CE1 3.69Å; T889-F891 HydrophobicContact CG2-CE1 4.22Å; F891-L894 PolarHBondContact O-N 2.92Å; F891-I895 HydrophobicContact CB-CD1 3.92Å; F891-I895 HydrophobicContact CB-CG1 4.46Å; F891-I895 WeakPolarHBondContact O-CG1 3.23Å; F891-I895 PolarHBondContact O-N 2.65Å; F891-I917 HydrophobicContact CB-CD1 4.09Å; F891-I917 HydrophobicContact CD1-CG2 4.09Å; F891-I917 HydrophobicContact CD2-CD1 4.06Å; F891-I917 HydrophobicContact CE1-CG2 3.97Å; F891-I917 HydrophobicContact CG-CD1 4.02Å; F891-I917 HydrophobicContact CG-CG2 4.47Å; F891-I917 HydrophobicContact CZ-CG2 4.21Å; F891-A919 HydrophobicContact CE1-CB 3.79Å; F891-A919 HydrophobicContact CZ-CB 3.69Å; F891-V923 HydrophobicContact CD1-CG2 4.32Å; F891-V923 HydrophobicContact CD2-CG2 3.98Å; F891-V923 HydrophobicContact CE1-CG2 3.83Å; F891-V923 HydrophobicContact CE2-CG2 3.47Å; F891-V923 VanDerWaalsContact CE2-CG2 3.47Å; F891-V923 HydrophobicContact CG-CG2 4.39Å; F891-V923 HydrophobicContact CZ-CG2 3.37Å; F891-T929 HydrophobicContact CB-CG2 3.99Å; F891-T929 HydrophobicContact CD2-CG2 4.02Å; F891-T929 HydrophobicContact CG-CG2 4.38Å; F891-T929 PolarHBondContact N-OG1 3.44Å; F891-T929 VanDerWaalsContact N-OG1 3.16Å; F891-V945 HydrophobicContact CE2-CG1 4.05Å; F891-V945 HydrophobicContact CE2-CG2 4.36Å; F891-V945 HydrophobicContact CZ-CG1 4.34Å; F891-M956 HydrophobicContact CE2-SD 3.93Å; F891-M956 HydrophobicContact CZ-SD 4.4Å
892	A	95.7	Very high	94	Very high	4 Å²	4	22 Å²	22	3%	0.033	13%	0.133	C	C	.	.	H	α-helix	trans	-55.9	-45.4	-176.1	0	0	0	0	0	114	N890 L894 I895 Y896 E928 A932	N890-A892 VanDerWaalsContact OD1-CB 3.26Å; N890-A892 WeakPolarHBondContact OD1-CB 3.25Å; N890-A892 PolarHBondContact OD1-N 2.9Å; N890-A892 VanDerWaalsContact OD1-N 3.08Å; A892-L894 VanDerWaalsContact C-N 3.32Å; A892-L894 PolarHBondContact O-N 2.93Å; A892-I895 PolarHBondContact O-N 3.15Å; A892-Y896 HydrophobicContact CB-CD2 4.34Å; A892-Y896 HydrophobicContact CB-CE2 4.1Å; A892-Y896 WeakPolarHBondContact O-CD2 3.41Å; A892-Y896 PolarHBondContact O-N 3.24Å; A892-E928 HydrophobicContact CB-CB 3.85Å; A892-A932 HydrophobicContact CB-CB 3.88Å
893	P	96.5	Very high	93.8	Very high	22 Å²	22	23.3 Å²	23.3	14%	0.143	12%	0.122	C	C	.	.	H	α-helix	trans	-61.7	-39.3	178.7	-21.6	33.2	0	0	0	113	D854 V857 E897	D854-P893 WeakPolarHBondContact O-CG 3.27Å; V857-P893 HydrophobicContact CG1-CB 4.08Å; P893-E897 WeakPolarHBondContact O-CB 3.22Å; P893-E897 PolarHBondContact O-N 2.89Å
894	L	97.3	Very high	93.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.8	-40.5	178.4	175.6	67.7	0	0	0	112.2	F847 V857 F891 A892 E897 S898 L915 I917	F847-L894 HydrophobicContact CD1-CD2 3.92Å; F847-L894 HydrophobicContact CE1-CD2 3.71Å; V857-L894 HydrophobicContact CG1-CB 3.85Å; V857-L894 HydrophobicContact CG1-CD1 4.34Å; F891-L894 PolarHBondContact O-N 2.92Å; A892-L894 VanDerWaalsContact C-N 3.32Å; A892-L894 PolarHBondContact O-N 2.93Å; L894-E897 PolarHBondContact O-N 3.13Å; L894-S898 WeakPolarHBondContact O-CB 3.41Å; L894-S898 PolarHBondContact O-N 3.15Å; L894-S898 PolarHBondContact O-OG 2.82Å; L894-L915 HydrophobicContact CD1-CD1 4.26Å; L894-L915 HydrophobicContact CD2-CD1 4.25Å; L894-L915 HydrophobicContact CG-CD1 4.15Å; L894-L915 HydrophobicContact CG-CD2 4.34Å; L894-I917 HydrophobicContact CD2-CB 4.4Å; L894-I917 HydrophobicContact CD2-CD1 3.96Å; L894-I917 HydrophobicContact CD2-CG1 3.84Å; L894-I917 HydrophobicContact CD2-CG2 3.97Å
895	I	97.3	Very high	92.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.1	-41.6	177	-65.8	167.8	0	0	0	110	F891 A892 S898 I899 L915 I917 A932 I933 A936 I943	F891-I895 HydrophobicContact CB-CD1 3.92Å; F891-I895 HydrophobicContact CB-CG1 4.46Å; F891-I895 WeakPolarHBondContact O-CG1 3.23Å; F891-I895 PolarHBondContact O-N 2.65Å; A892-I895 PolarHBondContact O-N 3.15Å; I895-S898 PolarHBondContact O-N 3.45Å; I895-I899 HydrophobicContact CG2-CD1 3.98Å; I895-I899 VanDerWaalsContact O-CG1 3.26Å; I895-I899 WeakPolarHBondContact O-CG1 3.3Å; I895-I899 PolarHBondContact O-N 3.49Å; I895-L915 HydrophobicContact CG1-CD2 3.99Å; I895-I917 HydrophobicContact CG1-CD1 4.35Å; I895-A932 HydrophobicContact CB-CB 3.96Å; I895-A932 HydrophobicContact CD1-CB 4.25Å; I895-A932 HydrophobicContact CG2-CB 3.84Å; I895-I933 HydrophobicContact CD1-CG1 3.76Å; I895-A936 HydrophobicContact CG2-CB 3.96Å; I895-I943 HydrophobicContact CD1-CD1 4.12Å; I895-I943 HydrophobicContact CG1-CD1 4.13Å; I895-I943 HydrophobicContact CG2-CD1 4.16Å
896	Y	97.4	Very high	91.6	Very high	94 Å²	94	30.4 Å²	30.4	37%	0.369	16%	0.157	S	C	.	.	H	α-helix	trans	-65.9	-38.5	174.8	-71.3	-52.5	0	0	0	113	A892 I899 N900 A932 T935	A892-Y896 HydrophobicContact CB-CD2 4.34Å; A892-Y896 HydrophobicContact CB-CE2 4.1Å; A892-Y896 WeakPolarHBondContact O-CD2 3.41Å; A892-Y896 PolarHBondContact O-N 3.24Å; Y896-I899 HydrophobicContact CD1-CD1 4.18Å; Y896-I899 PolarHBondContact O-N 2.89Å; Y896-N900 PolarHBondContact O-N 3.07Å; Y896-N900 PolarHBondContact O-ND2 3.17Å; Y896-N900 PolarHBondContact O-OD1 3.46Å; Y896-A932 HydrophobicContact CD2-CB 4.41Å; Y896-A932 HydrophobicContact CE1-CB 4.25Å; Y896-A932 HydrophobicContact CE2-CB 3.91Å; Y896-T935 HydrophobicContact CE1-CG2 4.17Å
897	E	96.5	Very high	90.3	Very high	57 Å²	57	34.2 Å²	34.2	27%	0.266	18%	0.184	S	C	.	.	H	α-helix	trans	-64.3	-40.1	172.3	-179.8	68.6	165.4	0	0	111.7	Y845 V857 P893 L894 I899 N900 I901	Y845-E897 HydrophobicContact CD1-CG 4.32Å; Y845-E897 HydrophobicContact CE1-CG 3.66Å; Y845-E897 WeakPolarHBondContact CE1-OE1 3.22Å; Y845-E897 HydrophobicContact CE2-CG 4.16Å; Y845-E897 VanDerWaalsContact CZ-OE1 3.28Å; Y845-E897 PolarHBondContact OH-OE1 3.26Å; V857-E897 HydrophobicContact CG2-CB 4Å; V857-E897 HydrophobicContact CG2-CG 3.95Å; P893-E897 WeakPolarHBondContact O-CB 3.22Å; P893-E897 PolarHBondContact O-N 2.89Å; L894-E897 PolarHBondContact O-N 3.13Å; E897-I899 VanDerWaalsContact C-N 3.33Å; E897-I899 PolarHBondContact O-N 2.92Å; E897-N900 WeakPolarHBondContact O-CA 3.43Å; E897-N900 WeakPolarHBondContact O-CB 3.46Å; E897-N900 PolarHBondContact O-N 3.03Å; E897-N900 PolarHBondContact OE2-ND2 3Å; E897-I901 HydrophobicContact CG-CD1 4.47Å; E897-I901 WeakPolarHBondContact O-CG1 3.03Å; E897-I901 PolarHBondContact O-N 3.37Å
898	S	96.2	Very high	89.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.1	-40.6	175	-57.4	0	0	0	0	111.8	L894 I895 N900 I901 C902	L894-S898 WeakPolarHBondContact O-CB 3.41Å; L894-S898 PolarHBondContact O-N 3.15Å; L894-S898 PolarHBondContact O-OG 2.82Å; I895-S898 PolarHBondContact O-N 3.45Å; S898-N900 VanDerWaalsContact C-N 3.29Å; S898-N900 PolarHBondContact O-N 2.99Å; S898-I901 WeakPolarHBondContact O-CB 3.19Å; S898-I901 PolarHBondContact O-N 3Å; S898-C902 PolarHBondContact O-N 3.31Å; S898-C902 PolarHBondContact O-SG 3.07Å
899	I	95.3	Very high	88.5	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-63.2	-33.2	171.6	-70.2	164.1	0	0	0	111.6	I895 Y896 E897 K903 T935 A936 Y939 L941	I895-I899 HydrophobicContact CG2-CD1 3.98Å; I895-I899 VanDerWaalsContact O-CG1 3.26Å; I895-I899 WeakPolarHBondContact O-CG1 3.3Å; I895-I899 PolarHBondContact O-N 3.49Å; Y896-I899 HydrophobicContact CD1-CD1 4.18Å; Y896-I899 PolarHBondContact O-N 2.89Å; E897-I899 VanDerWaalsContact C-N 3.33Å; E897-I899 PolarHBondContact O-N 2.92Å; I899-K903 HydrophobicContact CG2-CD 4.38Å; I899-K903 VanDerWaalsContact CG2-CE 3.44Å; I899-K903 VanDerWaalsContact O-CG 3.29Å; I899-K903 WeakPolarHBondContact O-CG 3.2Å; I899-K903 PolarHBondContact O-N 3.03Å; I899-K903 VanDerWaalsContact O-N 3.11Å; I899-T935 HydrophobicContact CD1-CG2 4.16Å; I899-A936 HydrophobicContact CD1-CB 4.01Å; I899-A936 HydrophobicContact CG1-CB 4.35Å; I899-Y939 HydrophobicContact CD1-CD2 4.44Å; I899-Y939 HydrophobicContact CD1-CE2 4.48Å; I899-Y939 HydrophobicContact CG1-CD2 4.07Å; I899-Y939 HydrophobicContact CG1-CE2 4.38Å; I899-Y939 HydrophobicContact CG2-CD1 4.34Å; I899-Y939 HydrophobicContact CG2-CD2 3.84Å; I899-Y939 HydrophobicContact CG2-CE1 4.04Å; I899-Y939 HydrophobicContact CG2-CE2 3.51Å; I899-Y939 HydrophobicContact CG2-CG 4.25Å; I899-L941 HydrophobicContact CG1-CD2 3.85Å
900	N	94.2	Very high	88	Confident	65 Å²	65	46.8 Å²	46.8	35%	0.348	24%	0.242	S	C	.	.	H	α-helix	trans	-67.6	-45.9	174.3	-63.5	-26.7	0	0	0	111.1	Y896 E897 S898 C902 K903 E904	Y896-N900 PolarHBondContact O-N 3.07Å; Y896-N900 PolarHBondContact O-ND2 3.17Å; Y896-N900 PolarHBondContact O-OD1 3.46Å; E897-N900 WeakPolarHBondContact O-CA 3.43Å; E897-N900 WeakPolarHBondContact O-CB 3.46Å; E897-N900 PolarHBondContact O-N 3.03Å; E897-N900 PolarHBondContact OE2-ND2 3Å; S898-N900 VanDerWaalsContact C-N 3.29Å; S898-N900 PolarHBondContact O-N 2.99Å; N900-C902 VanDerWaalsContact C-N 3.31Å; N900-C902 PolarHBondContact O-N 3.38Å; N900-K903 WeakPolarHBondContact O-CB 3.49Å; N900-K903 PolarHBondContact O-N 3.33Å; N900-K903 PolarHBondContact OD1-NZ 3.45Å; N900-E904 WeakPolarHBondContact O-CG 3.38Å; N900-E904 PolarHBondContact O-N 3.34Å
901	I	92	Very high	87.7	Confident	2 Å²	2	47.3 Å²	47.3	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-55.8	-45.9	173.9	-67	164.5	0	0	0	110.8	I789 A843 Y845 E897 S898 K903 E904 E905	I789-I901 HydrophobicContact CD1-CB 4.25Å; I789-I901 HydrophobicContact CD1-CD1 3.96Å; I789-I901 HydrophobicContact CD1-CG2 4.06Å; I789-I901 HydrophobicContact CG1-CD1 4.39Å; I789-I901 HydrophobicContact CG2-CD1 4.49Å; A843-I901 HydrophobicContact CB-CD1 4.15Å; Y845-I901 HydrophobicContact CE2-CD1 3.69Å; E897-I901 HydrophobicContact CG-CD1 4.47Å; E897-I901 WeakPolarHBondContact O-CG1 3.03Å; E897-I901 PolarHBondContact O-N 3.37Å; S898-I901 WeakPolarHBondContact O-CB 3.19Å; S898-I901 PolarHBondContact O-N 3Å; I901-K903 PolarHBondContact O-N 2.9Å; I901-E904 PolarHBondContact O-N 3.08Å; I901-E905 WeakPolarHBondContact CG2-OE1 3.41Å; I901-E905 PolarHBondContact O-N 2.92Å
902	C	90.7	Very high	87.7	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.5	-46.7	174.4	-64.5	0	0	0	0	111.8	S898 N900 C906 H913	S898-C902 PolarHBondContact O-N 3.31Å; S898-C902 PolarHBondContact O-SG 3.07Å; N900-C902 VanDerWaalsContact C-N 3.31Å; N900-C902 PolarHBondContact O-N 3.38Å; C902-C906 WeakPolarHBondContact O-CB 3.41Å; C902-C906 PolarHBondContact O-N 2.94Å; C902-C906 PolarHBondContact O-SG 2.69Å; C902-H913 PolarHBondContact SG-ND1 2.86Å
903	K	89.7	Confident	87.6	Confident	86 Å²	86	47.2 Å²	47.2	37%	0.374	24%	0.244	S	C	.	.	H	α-helix	trans	-65.8	-42.2	179.4	-67.9	162.6	-170.2	159	0	113.2	I899 N900 I901 E905 S907 Y939	I899-K903 HydrophobicContact CG2-CD 4.38Å; I899-K903 VanDerWaalsContact CG2-CE 3.44Å; I899-K903 VanDerWaalsContact O-CG 3.29Å; I899-K903 WeakPolarHBondContact O-CG 3.2Å; I899-K903 PolarHBondContact O-N 3.03Å; I899-K903 VanDerWaalsContact O-N 3.11Å; N900-K903 WeakPolarHBondContact O-CB 3.49Å; N900-K903 PolarHBondContact O-N 3.33Å; N900-K903 PolarHBondContact OD1-NZ 3.45Å; I901-K903 PolarHBondContact O-N 2.9Å; K903-E905 VanDerWaalsContact C-N 3.35Å; K903-S907 PolarHBondContact O-N 3.04Å; K903-S907 VanDerWaalsContact O-N 3.13Å; K903-S907 PolarHBondContact O-OG 3.45Å; K903-Y939 HydrophobicContact CD-CE1 4.37Å; K903-Y939 WeakPolarHBondContact CE-OH 3.28Å; K903-Y939 HydrophobicContact CG-CD1 4.43Å; K903-Y939 HydrophobicContact CG-CE1 3.84Å
904	E	85.8	Confident	87.5	Confident	128 Å²	128	46.1 Å²	46.1	60%	0.598	24%	0.237	S	C	*	.	H	α-helix	trans	-61.7	-44.7	178.1	-73.2	-177.7	171.7	0	0	110.7	N900 I901 S907	N900-E904 WeakPolarHBondContact O-CG 3.38Å; N900-E904 PolarHBondContact O-N 3.34Å; I901-E904 PolarHBondContact O-N 3.08Å; E904-S907 WeakPolarHBondContact O-CB 3.43Å; E904-S907 PolarHBondContact O-N 3.34Å
905	E	80.8	Confident	87.5	Confident	34 Å²	34	46.1 Å²	46.1	16%	0.159	24%	0.237	C	C	.	.	H	α-helix	trans	-72.5	-41.8	177.3	-74.1	171.1	-145.7	0	0	112.1	N787 R865 I901 K903 S907 V908 R909 H913	N787-E905 PolarHBondContact ND2-OE2 3.27Å; R865-E905 IonicContact CZ-OE1 2.72Å; R865-E905 IonicContact NH1-OE1 2.81Å; R865-E905 PolarHBondContact NH1-OE1 3.14Å; R865-E905 IonicContact NH2-OE1 3.25Å; R865-E905 PolarHBondContact NH2-OE1 3.31Å; I901-E905 WeakPolarHBondContact CG2-OE1 3.41Å; I901-E905 PolarHBondContact O-N 2.92Å; K903-E905 VanDerWaalsContact C-N 3.35Å; E905-S907 PolarHBondContact O-N 3.46Å; E905-V908 WeakPolarHBondContact O-CA 3.07Å; E905-V908 PolarHBondContact O-N 2.78Å; E905-R909 CarbonylContact C-O 3.6Å; E905-R909 VanDerWaalsContact C-O 3.25Å; E905-R909 CarbonylContact O-C 3.57Å; E905-R909 PolarHBondContact O-N 3.39Å; E905-H913 IonicContact OE1-NE2 2.73Å; E905-H913 IonicContact OE2-CD2 2.67Å; E905-H913 IonicContact OE2-CE1 3.4Å; E905-H913 PolarHBondContact OE2-CE1 3.37Å; E905-H913 IonicContact OE2-NE2 3.02Å; E905-H913 PolarHBondContact OE2-NE2 2.88Å
906	C	70.5	Confident	87.5	Confident	43 Å²	43	46.2 Å²	46.2	29%	0.291	24%	0.237	S	C	.	.	H	α-helix	trans	-57.5	-22.2	173.9	-73.4	0	0	0	0	113.6	C902 V908 R909	C902-C906 WeakPolarHBondContact O-CB 3.41Å; C902-C906 PolarHBondContact O-N 2.94Å; C902-C906 PolarHBondContact O-SG 2.69Å; C906-V908 PolarHBondContact O-N 2.97Å; C906-R909 WeakPolarHBondContact CA-O 3.47Å; C906-R909 PolarHBondContact N-O 2.78Å
907	S	66.2	Low	87.5	Confident	105 Å²	105	41.7 Å²	41.7	73%	0.734	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.1	173.2	-57.8	0	0	0	0	113.3	K903 E904 E905	K903-S907 PolarHBondContact O-N 3.04Å; K903-S907 VanDerWaalsContact O-N 3.13Å; K903-S907 PolarHBondContact O-OG 3.45Å; E904-S907 WeakPolarHBondContact O-CB 3.43Å; E904-S907 PolarHBondContact O-N 3.34Å; E905-S907 PolarHBondContact O-N 3.46Å
908	V	67.2	Low	87.6	Confident	139 Å²	139	39 Å²	39	84%	0.842	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-45.8	175.3	-175.1	0	0	0	0	111.2	E905 C906	E905-V908 WeakPolarHBondContact O-CA 3.07Å; E905-V908 PolarHBondContact O-N 2.78Å; C906-V908 PolarHBondContact O-N 2.97Å
909	R	73.1	Confident	87.6	Confident	137 Å²	137	39.1 Å²	39.1	52%	0.517	21%	0.208	S	C	.	.			trans	-157.4	133.3	178.3	178.1	-179.8	176.1	-133.7	-1	109.9	E905 C906 D911	E905-R909 CarbonylContact C-O 3.6Å; E905-R909 VanDerWaalsContact C-O 3.25Å; E905-R909 CarbonylContact O-C 3.57Å; E905-R909 PolarHBondContact O-N 3.39Å; C906-R909 WeakPolarHBondContact CA-O 3.47Å; C906-R909 PolarHBondContact N-O 2.78Å; R909-D911 VanDerWaalsContact C-N 3.33Å; R909-D911 WeakPolarHBondContact CD-OD1 3.35Å; R909-D911 WeakPolarHBondContact CG-OD1 3.35Å; R909-D911 IonicContact CZ-OD1 3.92Å; R909-D911 IonicContact NE-OD1 2.71Å; R909-D911 PolarHBondContact NE-OD1 3.14Å; R909-D911 IonicContact NH1-OD1 2.78Å; R909-D911 PolarHBondContact NH1-OD1 3.29Å; R909-D911 IonicContact NH1-OD2 2.73Å; R909-D911 PolarHBondContact NH1-OD2 3.13Å; R909-D911 IonicContact NH2-OD1 2.85Å; R909-D911 PolarHBondContact O-N 2.87Å
910	T	79.3	Confident	87.4	Confident	60 Å²	60	39 Å²	39	37%	0.368	21%	0.207	S	C	.	.			trans	-68.1	89	169.9	-35	0	0	0	0	110.1	P940 L1010 L1011	T910-P940 HydrophobicContact CG2-CG 4.17Å; T910-L1010 WeakPolarHBondContact CG2-O 3.4Å; T910-L1011 HydrophobicContact CG2-CD2 4.3Å; T910-L1011 WeakPolarHBondContact O-CD2 3.4Å
911	D	86.5	Confident	86.3	Confident	15 Å²	15	36.1 Å²	36.1	8%	0.08	19%	0.193	C	C	.	.			trans	-91.2	156	172.1	-84.2	0.1	0	0	0	110.8	N787 R909 H913 P940	N787-D911 WeakPolarHBondContact ND2-CB 3.45Å; N787-D911 PolarHBondContact ND2-OD2 2.83Å; R909-D911 VanDerWaalsContact C-N 3.33Å; R909-D911 WeakPolarHBondContact CD-OD1 3.35Å; R909-D911 WeakPolarHBondContact CG-OD1 3.35Å; R909-D911 IonicContact CZ-OD1 3.92Å; R909-D911 IonicContact NE-OD1 2.71Å; R909-D911 PolarHBondContact NE-OD1 3.14Å; R909-D911 IonicContact NH1-OD1 2.78Å; R909-D911 PolarHBondContact NH1-OD1 3.29Å; R909-D911 IonicContact NH1-OD2 2.73Å; R909-D911 PolarHBondContact NH1-OD2 3.13Å; R909-D911 IonicContact NH2-OD1 2.85Å; R909-D911 PolarHBondContact O-N 2.87Å; D911-H913 PolarHBondContact O-ND1 3.44Å; D911-P940 VanDerWaalsContact O-CG 3.24Å; D911-P940 WeakPolarHBondContact O-CG 3.49Å
912	Y	92.8	Very high	85.3	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.008	21%	0.208	C	C	.	.			trans	-90.1	136.5	173.2	171.9	-132.2	0	0	0	110.2	L783 S786 N787 I914 P940 S942 Y1002 I1005	L783-Y912 HydrophobicContact CD1-CD1 4.04Å; L783-Y912 HydrophobicContact CD1-CE1 3.71Å; S786-Y912 CarbonylContact C-O 3.55Å; S786-Y912 WeakPolarHBondContact CA-O 3.21Å; N787-Y912 PolarHBondContact N-O 2.94Å; Y912-I914 HydrophobicContact CE1-CD1 3.98Å; Y912-I914 HydrophobicContact CE1-CG1 3.82Å; Y912-P940 WeakPolarHBondContact CD2-O 3.48Å; Y912-S942 WeakPolarHBondContact OH-CB 3.38Å; Y912-S942 PolarHBondContact OH-OG 3.4Å; Y912-Y1002 AromaticContact CD1-CD2 3.27Å; Y912-Y1002 HydrophobicContact CD1-CD2 3.27Å; Y912-Y1002 AromaticContact CD1-CE2 3.59Å; Y912-Y1002 HydrophobicContact CD1-CE2 3.59Å; Y912-Y1002 HydrophobicContact CD1-CG 4.24Å; Y912-Y1002 HydrophobicContact CD2-CD2 4.09Å; Y912-Y1002 AromaticContact CE1-CD2 3.53Å; Y912-Y1002 HydrophobicContact CE1-CD2 3.53Å; Y912-Y1002 HydrophobicContact CE1-CE2 4.28Å; Y912-Y1002 HydrophobicContact CE1-CG 4.11Å; Y912-Y1002 HydrophobicContact CE2-CD2 4.33Å; Y912-Y1002 AromaticContact CG-CD2 3.58Å; Y912-Y1002 HydrophobicContact CG-CD2 3.58Å; Y912-Y1002 AromaticContact CG-CE2 3.78Å; Y912-Y1002 HydrophobicContact CG-CE2 3.78Å; Y912-I1005 HydrophobicContact CD2-CD1 3.72Å; Y912-I1005 HydrophobicContact CE2-CD1 3.34Å
913	H	94	Very high	84.9	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.6	-179.9	-64.9	80.6	0	0	0	111.9	N787 I789 C902 E905 D911 P940 L941 S942	N787-H913 WeakPolarHBondContact O-CA 3.44Å; I789-H913 HydrophobicContact CD1-CB 4.43Å; C902-H913 PolarHBondContact SG-ND1 2.86Å; E905-H913 IonicContact OE1-NE2 2.73Å; E905-H913 IonicContact OE2-CD2 2.67Å; E905-H913 IonicContact OE2-CE1 3.4Å; E905-H913 PolarHBondContact OE2-CE1 3.37Å; E905-H913 IonicContact OE2-NE2 3.02Å; E905-H913 PolarHBondContact OE2-NE2 2.88Å; D911-H913 PolarHBondContact O-ND1 3.44Å; H913-P940 PolarHBondContact N-O 3.06Å; H913-L941 HydrophobicContact CB-CD1 3.72Å; H913-L941 WeakPolarHBondContact O-CA 3.37Å; H913-S942 PolarHBondContact O-N 3.39Å
914	I	95.5	Very high	84.5	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.7	168.2	-57	172.6	0	0	0	107.7	N787 L788 I789 L833 Y912 V916 S942 I944 I998	N787-I914 PolarHBondContact O-N 2.79Å; L788-I914 HydrophobicContact CD2-CB 4.08Å; L788-I914 HydrophobicContact CD2-CD1 4.42Å; I789-I914 PolarHBondContact N-O 3.29Å; L833-I914 HydrophobicContact CD1-CD1 4.34Å; L833-I914 HydrophobicContact CD1-CG2 4.47Å; L833-I914 HydrophobicContact CD2-CD1 4.19Å; Y912-I914 HydrophobicContact CE1-CD1 3.98Å; Y912-I914 HydrophobicContact CE1-CG1 3.82Å; I914-V916 HydrophobicContact CG2-CG2 4.25Å; I914-S942 WeakPolarHBondContact CA-O 3.47Å; I914-I944 HydrophobicContact CG2-CD1 3.59Å; I914-I944 HydrophobicContact CG2-CG1 4.16Å; I914-I998 HydrophobicContact CD1-CG2 3.82Å
915	L	97	Very high	84.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	117.7	169	171	61.9	0	0	0	109	I789 L894 I895 I917 L941 S942 I943 I944	I789-L915 HydrophobicContact CB-CD1 4.05Å; I789-L915 HydrophobicContact CG2-CD1 3.74Å; I789-L915 CarbonylContact O-C 3.25Å; I789-L915 WeakPolarHBondContact O-CA 3.49Å; L894-L915 HydrophobicContact CD1-CD1 4.26Å; L894-L915 HydrophobicContact CD2-CD1 4.25Å; L894-L915 HydrophobicContact CG-CD1 4.15Å; L894-L915 HydrophobicContact CG-CD2 4.34Å; I895-L915 HydrophobicContact CG1-CD2 3.99Å; L915-I917 HydrophobicContact CD1-CG1 4.24Å; L915-I917 HydrophobicContact CD2-CD1 3.96Å; L915-I917 HydrophobicContact CD2-CG1 3.92Å; L915-I917 HydrophobicContact CG-CD1 4.4Å; L915-I917 HydrophobicContact CG-CG1 3.8Å; L915-L941 HydrophobicContact CB-CD1 4.02Å; L915-S942 PolarHBondContact N-O 2.95Å; L915-I943 HydrophobicContact CB-CG1 4.5Å; L915-I943 HydrophobicContact CD2-CG1 4.32Å; L915-I943 HydrophobicContact CD2-CG2 4.22Å; L915-I943 HydrophobicContact CG-CG2 4.47Å; L915-I943 CarbonylContact O-C 3.28Å; L915-I943 WeakPolarHBondContact O-CA 3.31Å; L915-I944 PolarHBondContact O-N 3.37Å
916	V	97.2	Very high	84.7	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	107.3	170.2	-179.1	0	0	0	0	108.2	I789 F790 G791 L829 I914 V918 I944 V946	I789-V916 PolarHBondContact O-N 3.27Å; F790-V916 CarbonylContact C-O 3.51Å; F790-V916 WeakPolarHBondContact CA-O 3.45Å; F790-V916 HydrophobicContact CD1-CB 3.93Å; F790-V916 HydrophobicContact CD1-CG1 4Å; F790-V916 HydrophobicContact CE1-CB 4Å; F790-V916 HydrophobicContact CE1-CG1 3.88Å; F790-V916 HydrophobicContact CE1-CG2 4.43Å; G791-V916 PolarHBondContact N-O 3.09Å; L829-V916 HydrophobicContact CD1-CG1 3.75Å; L829-V916 HydrophobicContact CD1-CG2 4.38Å; I914-V916 HydrophobicContact CG2-CG2 4.25Å; V916-V918 HydrophobicContact CG1-CG2 4.15Å; V916-I944 WeakPolarHBondContact CA-O 3.42Å; V916-I944 HydrophobicContact CG2-CD1 4.32Å; V916-V946 HydrophobicContact CG1-CG2 4.29Å
917	I	97.4	Very high	85.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	128.1	170.6	-43.7	-173.3	0	0	0	107.7	F847 F891 L894 I895 L915 A919 I943 I944 V945 V946	F847-I917 HydrophobicContact CE1-CG2 4Å; F847-I917 HydrophobicContact CZ-CG2 3.88Å; F891-I917 HydrophobicContact CB-CD1 4.09Å; F891-I917 HydrophobicContact CD1-CG2 4.09Å; F891-I917 HydrophobicContact CD2-CD1 4.06Å; F891-I917 HydrophobicContact CE1-CG2 3.97Å; F891-I917 HydrophobicContact CG-CD1 4.02Å; F891-I917 HydrophobicContact CG-CG2 4.47Å; F891-I917 HydrophobicContact CZ-CG2 4.21Å; L894-I917 HydrophobicContact CD2-CB 4.4Å; L894-I917 HydrophobicContact CD2-CD1 3.96Å; L894-I917 HydrophobicContact CD2-CG1 3.84Å; L894-I917 HydrophobicContact CD2-CG2 3.97Å; I895-I917 HydrophobicContact CG1-CD1 4.35Å; L915-I917 HydrophobicContact CD1-CG1 4.24Å; L915-I917 HydrophobicContact CD2-CD1 3.96Å; L915-I917 HydrophobicContact CD2-CG1 3.92Å; L915-I917 HydrophobicContact CG-CD1 4.4Å; L915-I917 HydrophobicContact CG-CG1 3.8Å; I917-A919 HydrophobicContact CG2-CB 4.49Å; I917-I943 HydrophobicContact CD1-CG2 3.93Å; I917-I943 HydrophobicContact CG1-CG2 4.19Å; I917-I944 PolarHBondContact N-O 3.05Å; I917-V945 HydrophobicContact CB-CG2 4.18Å; I917-V945 HydrophobicContact CD1-CG2 4.11Å; I917-V945 HydrophobicContact CG1-CG2 4.32Å; I917-V945 WeakPolarHBondContact O-CA 3.4Å; I917-V946 PolarHBondContact O-N 2.76Å
918	V	97.7	Very high	86.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	123.4	171.3	-165.4	0	0	0	0	107.3	G791 I792 D793 Y822 V825 V916 V948	G791-V918 PolarHBondContact O-N 3.4Å; I792-V918 HydrophobicContact CD1-CB 4.41Å; I792-V918 HydrophobicContact CD1-CG2 4.28Å; D793-V918 WeakPolarHBondContact CB-O 3.35Å; D793-V918 PolarHBondContact N-O 3.02Å; Y822-V918 HydrophobicContact CD1-CB 3.75Å; Y822-V918 HydrophobicContact CD1-CG1 3.42Å; Y822-V918 VanDerWaalsContact CD1-CG1 3.42Å; Y822-V918 HydrophobicContact CE1-CB 3.79Å; Y822-V918 HydrophobicContact CE1-CG1 3.57Å; Y822-V918 WeakPolarHBondContact CE1-O 3.07Å; Y822-V918 HydrophobicContact CG-CG1 4.18Å; V825-V918 HydrophobicContact CB-CG1 4.36Å; V825-V918 HydrophobicContact CB-CG2 4.4Å; V825-V918 HydrophobicContact CG1-CG1 4.27Å; V825-V918 HydrophobicContact CG1-CG2 3.64Å; V825-V918 HydrophobicContact CG2-CG1 4.47Å; V916-V918 HydrophobicContact CG1-CG2 4.15Å; V918-V948 HydrophobicContact CG1-CB 4.41Å; V918-V948 HydrophobicContact CG1-CG1 3.78Å; V918-V948 HydrophobicContact CG1-CG2 3.67Å
919	A	96.2	Very high	88	Confident	2 Å²	2	26.3 Å²	26.3	2%	0.017	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	161.9	-171.6	0	0	0	0	0	113	D793 F891 I917 V946 G947 V948	D793-A919 HydrophobicContact CB-CB 3.8Å; D793-A919 WeakPolarHBondContact OD2-CA 3.3Å; F891-A919 HydrophobicContact CE1-CB 3.79Å; F891-A919 HydrophobicContact CZ-CB 3.69Å; I917-A919 HydrophobicContact CG2-CB 4.49Å; A919-V946 PolarHBondContact N-O 2.86Å; A919-V946 VanDerWaalsContact N-O 3.14Å; A919-G947 WeakPolarHBondContact O-CA 3.29Å; A919-V948 PolarHBondContact O-N 2.83Å
920	D	92.2	Very high	88.8	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.			trans	-94.9	6.6	-176.7	77.6	13.5	0	0	0	116.2	D793 S797 N798 Q801 L811 V948 W953	D793-D920 PolarHBondContact OD2-N 3.47Å; D793-D920 VanDerWaalsContact OD2-N 3.13Å; S797-D920 WeakPolarHBondContact CB-OD2 3.5Å; S797-D920 VanDerWaalsContact OG-CG 3.26Å; S797-D920 PolarHBondContact OG-OD1 2.92Å; S797-D920 PolarHBondContact OG-OD2 3.21Å; N798-D920 WeakPolarHBondContact CA-OD2 3.24Å; N798-D920 VanDerWaalsContact CG-OD2 3.25Å; N798-D920 PolarHBondContact N-OD2 3.35Å; N798-D920 PolarHBondContact ND2-OD2 2.85Å; N798-D920 VanDerWaalsContact ND2-OD2 3.15Å; Q801-D920 HydrophobicContact CB-CB 3.9Å; Q801-D920 HydrophobicContact CG-CB 3.97Å; Q801-D920 WeakPolarHBondContact CG-OD2 3.46Å; L811-D920 HydrophobicContact CD1-CB 3.91Å; D920-V948 VanDerWaalsContact CA-O 3.31Å; D920-V948 WeakPolarHBondContact CA-O 3.28Å; D920-V948 WeakPolarHBondContact CB-O 3.13Å; D920-W953 VanDerWaalsContact C-CZ3 3.48Å; D920-W953 WeakPolarHBondContact O-CH2 3.35Å; D920-W953 WeakPolarHBondContact O-CZ3 3.3Å
921	G	70.8	Confident	89.4	Confident	4 Å²	4	22.9 Å²	22.9	4%	0.041	11%	0.111	C	C	.	.	S	Bend	trans	101.2	-11.1	160	0	0	0	0	0	116.3	V923	G921-V923 PolarHBondContact O-N 2.67Å
922	Q	71.5	Confident	89.8	Confident	72 Å²	72	22.1 Å²	22.1	34%	0.336	11%	0.107	S	C	.	.			trans	-91.4	66.4	-175.9	-61.5	-58.1	-81.7	0	0	112.4	T889 T924 P952	T889-Q922 WeakPolarHBondContact CB-O 3.5Å; T889-Q922 PolarHBondContact OG1-O 3Å; Q922-T924 PolarHBondContact O-N 2.98Å; Q922-P952 PolarHBondContact NE2-O 2.98Å
923	V	81.3	Confident	89.8	Confident	4 Å²	4	22 Å²	22	2%	0.024	11%	0.107	C	C	.	.			trans	-69.8	121.3	174.3	172.8	0	0	0	0	110.4	T889 F891 G921 T929 M955 M956 F959	T889-V923 HydrophobicContact CG2-CG2 4.2Å; F891-V923 HydrophobicContact CD1-CG2 4.32Å; F891-V923 HydrophobicContact CD2-CG2 3.98Å; F891-V923 HydrophobicContact CE1-CG2 3.83Å; F891-V923 HydrophobicContact CE2-CG2 3.47Å; F891-V923 VanDerWaalsContact CE2-CG2 3.47Å; F891-V923 HydrophobicContact CG-CG2 4.39Å; F891-V923 HydrophobicContact CZ-CG2 3.37Å; G921-V923 PolarHBondContact O-N 2.67Å; V923-T929 HydrophobicContact CG1-CG2 4.48Å; V923-M955 HydrophobicContact CB-SD 3.85Å; V923-M955 HydrophobicContact CG1-SD 4.31Å; V923-M955 VanDerWaalsContact O-CE 3.29Å; V923-M955 WeakPolarHBondContact O-CE 3.16Å; V923-M956 HydrophobicContact CB-CE 3.85Å; V923-M956 HydrophobicContact CG2-CE 3.55Å; V923-M956 HydrophobicContact CG2-SD 4.27Å; V923-F959 HydrophobicContact CG1-CE2 4.46Å
924	T	81.7	Confident	89.7	Confident	70 Å²	70	25 Å²	25	43%	0.429	12%	0.121	S	C	.	.			trans	-90.9	-38.1	179.3	52.2	0	0	0	0	111.9	P888 T889 Q922 E926	P888-T924 HydrophobicContact CB-CG2 4.07Å; P888-T924 WeakPolarHBondContact CB-OG1 3.49Å; T889-T924 PolarHBondContact N-OG1 3.07Å; T889-T924 PolarHBondContact O-N 3.33Å; T889-T924 PolarHBondContact O-OG1 3.23Å; T889-T924 VanDerWaalsContact O-OG1 3.05Å; Q922-T924 PolarHBondContact O-N 2.98Å; T924-E926 VanDerWaalsContact C-N 3.28Å; T924-E926 PolarHBondContact O-N 3.31Å; T924-E926 VanDerWaalsContact O-N 3.1Å
925	N	83.6	Confident	89.6	Confident	30 Å²	30	27 Å²	27	16%	0.16	13%	0.133	C	C	.	.			trans	-93.9	57	-170.8	-64.4	37	0	0	0	111	D854 T889 N890 R927 E928 T929	D854-N925 PolarHBondContact OD2-ND2 3.37Å; T889-N925 PolarHBondContact O-N 3.38Å; N890-N925 HydrophobicContact CB-CB 3.79Å; N890-N925 VanDerWaalsContact CG-CB 3.44Å; N890-N925 PolarHBondContact ND2-ND2 2.95Å; N925-R927 VanDerWaalsContact C-N 3.27Å; N925-R927 PolarHBondContact O-N 3.23Å; N925-E928 PolarHBondContact ND2-OE2 3.44Å; N925-E928 VanDerWaalsContact ND2-OE2 3.09Å; N925-E928 PolarHBondContact O-N 2.85Å; N925-T929 PolarHBondContact O-N 3.18Å; N925-T929 PolarHBondContact O-OG1 3.12Å
926	E	86.8	Confident	89.4	Confident	15 Å²	15	27 Å²	27	7%	0.07	13%	0.133	C	C	.	.	H	α-helix	trans	-46.7	-44.5	-178.3	-102.2	-150.4	-133.8	0	0	114.2	T428 T924 R930 M955 F959	T428-E926 VanDerWaalsContact CG2-OE1 3.3Å; T428-E926 WeakPolarHBondContact CG2-OE1 3.4Å; T924-E926 VanDerWaalsContact C-N 3.28Å; T924-E926 PolarHBondContact O-N 3.31Å; T924-E926 VanDerWaalsContact O-N 3.1Å; E926-R930 WeakPolarHBondContact O-CB 3.5Å; E926-R930 PolarHBondContact O-N 3.47Å; E926-R930 PolarHBondContact O-NH1 3.16Å; E926-R930 VanDerWaalsContact O-NH1 3.09Å; E926-R930 IonicContact OE2-CZ 3.34Å; E926-R930 VanDerWaalsContact OE2-CZ 3.27Å; E926-R930 IonicContact OE2-NH1 3.27Å; E926-R930 PolarHBondContact OE2-NH1 3.26Å; E926-R930 IonicContact OE2-NH2 3.76Å; E926-R930 PolarHBondContact OE2-NH2 3Å; E926-M955 HydrophobicContact CG-CE 3.88Å; E926-M955 HydrophobicContact CG-CG 4.26Å; E926-M955 HydrophobicContact CG-SD 3.56Å; E926-M955 VanDerWaalsContact CG-SD 3.56Å; E926-F959 HydrophobicContact CG-CZ 4.04Å
927	R	89.9	Confident	89.1	Confident	51 Å²	51	27.3 Å²	27.3	19%	0.192	14%	0.136	C	C	.	.	H	α-helix	trans	-62.2	-54.1	-176.9	177.1	176	-87.2	-90.2	5.7	110.9	E424 T425 F426 N925 R930 E931	E424-R927 VanDerWaalsContact C-NH2 3.33Å; E424-R927 PolarHBondContact O-NH1 2.58Å; E424-R927 PolarHBondContact O-NH2 3.13Å; T425-R927 VanDerWaalsContact C-NH2 3.33Å; F426-R927 HydrophobicContact CD2-CB 3.97Å; F426-R927 HydrophobicContact CD2-CG 3.93Å; F426-R927 HydrophobicContact CE2-CG 4.46Å; F426-R927 VanDerWaalsContact CE2-CZ 3.47Å; F426-R927 VanDerWaalsContact CE2-NH2 3.28Å; N925-R927 VanDerWaalsContact C-N 3.27Å; N925-R927 PolarHBondContact O-N 3.23Å; R927-R930 PolarHBondContact O-N 3.33Å; R927-E931 WeakPolarHBondContact CG-OE1 3.35Å; R927-E931 IonicContact NH1-OE1 2.89Å; R927-E931 PolarHBondContact NH1-OE1 3.12Å; R927-E931 WeakPolarHBondContact O-CG 3.48Å; R927-E931 PolarHBondContact O-N 3.43Å
928	E	91.6	Very high	88.8	Confident	88 Å²	88	33.4 Å²	33.4	41%	0.411	16%	0.162	S	C	.	.	H	α-helix	trans	-69	-41.7	-174.7	-60.8	174.9	167.7	0	0	111.2	N890 A892 N925 R930 E931 A932	N890-E928 PolarHBondContact ND2-OE2 2.97Å; A892-E928 HydrophobicContact CB-CB 3.85Å; N925-E928 PolarHBondContact ND2-OE2 3.44Å; N925-E928 VanDerWaalsContact ND2-OE2 3.09Å; N925-E928 PolarHBondContact O-N 2.85Å; E928-R930 VanDerWaalsContact C-N 3.35Å; E928-R930 PolarHBondContact O-N 2.98Å; E928-E931 PolarHBondContact O-N 3.19Å; E928-A932 WeakPolarHBondContact O-CB 3.43Å; E928-A932 PolarHBondContact O-N 3.01Å
929	T	91.8	Very high	88.6	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.2	-45.2	175.2	-70.8	0	0	0	0	110.7	N890 F891 V923 N925 A932 I933 F959	N890-T929 PolarHBondContact OD1-OG1 3.18Å; N890-T929 VanDerWaalsContact OD1-OG1 3.08Å; F891-T929 HydrophobicContact CB-CG2 3.99Å; F891-T929 HydrophobicContact CD2-CG2 4.02Å; F891-T929 HydrophobicContact CG-CG2 4.38Å; F891-T929 PolarHBondContact N-OG1 3.44Å; F891-T929 VanDerWaalsContact N-OG1 3.16Å; V923-T929 HydrophobicContact CG1-CG2 4.48Å; N925-T929 PolarHBondContact O-N 3.18Å; N925-T929 PolarHBondContact O-OG1 3.12Å; T929-A932 PolarHBondContact O-N 2.83Å; T929-I933 HydrophobicContact CG2-CD1 3.93Å; T929-I933 VanDerWaalsContact O-CG1 3.27Å; T929-I933 WeakPolarHBondContact O-CG1 3.37Å; T929-I933 PolarHBondContact O-N 3.31Å; T929-F959 HydrophobicContact CG2-CE2 4.05Å; T929-F959 HydrophobicContact CG2-CZ 4.28Å
930	R	90.3	Very high	88.5	Confident	44 Å²	44	36.5 Å²	36.5	17%	0.166	18%	0.175	C	C	.	.	H	α-helix	trans	-61.7	-43.5	175.3	-179	-179.9	-71.5	109.8	-16.8	112.7	E926 R927 E928 I933 M934 F959 L963	E926-R930 WeakPolarHBondContact O-CB 3.5Å; E926-R930 PolarHBondContact O-N 3.47Å; E926-R930 PolarHBondContact O-NH1 3.16Å; E926-R930 VanDerWaalsContact O-NH1 3.09Å; E926-R930 IonicContact OE2-CZ 3.34Å; E926-R930 VanDerWaalsContact OE2-CZ 3.27Å; E926-R930 IonicContact OE2-NH1 3.27Å; E926-R930 PolarHBondContact OE2-NH1 3.26Å; E926-R930 IonicContact OE2-NH2 3.76Å; E926-R930 PolarHBondContact OE2-NH2 3Å; R927-R930 PolarHBondContact O-N 3.33Å; E928-R930 VanDerWaalsContact C-N 3.35Å; E928-R930 PolarHBondContact O-N 2.98Å; R930-I933 PolarHBondContact O-N 2.96Å; R930-M934 HydrophobicContact CG-CE 4.33Å; R930-M934 WeakPolarHBondContact O-CG 3.26Å; R930-M934 PolarHBondContact O-N 3.01Å; R930-F959 HydrophobicContact CB-CE1 4.37Å; R930-L963 HydrophobicContact CG-CD2 3.85Å
931	E	92	Very high	88.6	Confident	81 Å²	81	36.5 Å²	36.5	38%	0.379	18%	0.175	S	C	.	.	H	α-helix	trans	-67.3	-34.7	176.8	-72.3	174.4	-153.3	0	0	112.5	R927 E928 M934 T935	R927-E931 WeakPolarHBondContact CG-OE1 3.35Å; R927-E931 IonicContact NH1-OE1 2.89Å; R927-E931 PolarHBondContact NH1-OE1 3.12Å; R927-E931 WeakPolarHBondContact O-CG 3.48Å; R927-E931 PolarHBondContact O-N 3.43Å; E928-E931 PolarHBondContact O-N 3.19Å; E931-M934 HydrophobicContact CB-CE 4.46Å; E931-M934 HydrophobicContact CG-CE 3.99Å; E931-T935 WeakPolarHBondContact O-CB 3.42Å; E931-T935 PolarHBondContact O-N 2.99Å; E931-T935 PolarHBondContact O-OG1 3.08Å
932	A	94.6	Very high	89.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-68.4	-43.7	173.9	0	0	0	0	0	112.2	A892 I895 Y896 E928 T929 T935 A936	A892-A932 HydrophobicContact CB-CB 3.88Å; I895-A932 HydrophobicContact CB-CB 3.96Å; I895-A932 HydrophobicContact CD1-CB 4.25Å; I895-A932 HydrophobicContact CG2-CB 3.84Å; Y896-A932 HydrophobicContact CD2-CB 4.41Å; Y896-A932 HydrophobicContact CE1-CB 4.25Å; Y896-A932 HydrophobicContact CE2-CB 3.91Å; E928-A932 WeakPolarHBondContact O-CB 3.43Å; E928-A932 PolarHBondContact O-N 3.01Å; T929-A932 PolarHBondContact O-N 2.83Å; A932-T935 CarbonylContact O-C 3.57Å; A932-T935 WeakPolarHBondContact O-CA 3.2Å; A932-T935 WeakPolarHBondContact O-CB 3.29Å; A932-T935 PolarHBondContact O-N 2.57Å; A932-A936 PolarHBondContact O-N 2.91Å
933	I	93.2	Very high	90.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-45.6	175.6	-63.1	160.8	0	0	0	110.8	I895 T929 R930 T935 A936 C937 I943 L963 R966 F971	I895-I933 HydrophobicContact CD1-CG1 3.76Å; T929-I933 HydrophobicContact CG2-CD1 3.93Å; T929-I933 VanDerWaalsContact O-CG1 3.27Å; T929-I933 WeakPolarHBondContact O-CG1 3.37Å; T929-I933 PolarHBondContact O-N 3.31Å; R930-I933 PolarHBondContact O-N 2.96Å; I933-T935 PolarHBondContact O-N 3.31Å; I933-A936 WeakPolarHBondContact O-CB 3.49Å; I933-A936 PolarHBondContact O-N 3.28Å; I933-A936 VanDerWaalsContact O-N 3.13Å; I933-C937 PolarHBondContact O-N 3.45Å; I933-C937 PolarHBondContact O-SG 3.21Å; I933-I943 HydrophobicContact CG1-CD1 4.34Å; I933-L963 HydrophobicContact CB-CD1 4.15Å; I933-L963 HydrophobicContact CD1-CD1 4.22Å; I933-L963 HydrophobicContact CG2-CD1 3.52Å; I933-R966 VanDerWaalsContact CG2-NH2 3.25Å; I933-F971 HydrophobicContact CD1-CD2 3.58Å; I933-F971 HydrophobicContact CD1-CE2 3.62Å; I933-F971 HydrophobicContact CD1-CG 4.4Å; I933-F971 HydrophobicContact CD1-CZ 4.49Å; I933-F971 HydrophobicContact CG1-CD2 4.02Å; I933-F971 HydrophobicContact CG1-CE2 4.4Å; I933-F971 HydrophobicContact CG2-CB 4.15Å; I933-F971 HydrophobicContact CG2-CD2 4.43Å
934	M	91.1	Very high	91.7	Very high	62 Å²	62	32.7 Å²	32.7	31%	0.305	16%	0.155	S	C	.	.	H	α-helix	trans	-60.7	-28	173.6	-72.1	-171.4	-63	0	0	112.9	R930 E931	R930-M934 HydrophobicContact CG-CE 4.33Å; R930-M934 WeakPolarHBondContact O-CG 3.26Å; R930-M934 PolarHBondContact O-N 3.01Å; E931-M934 HydrophobicContact CB-CE 4.46Å; E931-M934 HydrophobicContact CG-CE 3.99Å
935	T	93.1	Very high	92.3	Very high	42 Å²	42	29.4 Å²	29.4	26%	0.258	14%	0.136	S	C	.	.	H	α-helix	trans	-79	-36.1	175	-57.1	0	0	0	0	111.9	Y896 I899 E931 A932 I933 C937 K938 Y939	Y896-T935 HydrophobicContact CE1-CG2 4.17Å; I899-T935 HydrophobicContact CD1-CG2 4.16Å; E931-T935 WeakPolarHBondContact O-CB 3.42Å; E931-T935 PolarHBondContact O-N 2.99Å; E931-T935 PolarHBondContact O-OG1 3.08Å; A932-T935 CarbonylContact O-C 3.57Å; A932-T935 WeakPolarHBondContact O-CA 3.2Å; A932-T935 WeakPolarHBondContact O-CB 3.29Å; A932-T935 PolarHBondContact O-N 2.57Å; I933-T935 PolarHBondContact O-N 3.31Å; T935-C937 VanDerWaalsContact C-N 3.27Å; T935-C937 PolarHBondContact O-N 3.2Å; T935-K938 PolarHBondContact O-N 3.23Å; T935-Y939 HydrophobicContact CG2-CE2 4.41Å; T935-Y939 WeakPolarHBondContact O-CD2 3.44Å; T935-Y939 WeakPolarHBondContact O-CE2 3.43Å
936	A	94.1	Very high	93	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.9	-33.5	176.7	0	0	0	0	0	112.9	I895 I899 A932 I933 K938 Y939 L941 I943	I895-A936 HydrophobicContact CG2-CB 3.96Å; I899-A936 HydrophobicContact CD1-CB 4.01Å; I899-A936 HydrophobicContact CG1-CB 4.35Å; A932-A936 PolarHBondContact O-N 2.91Å; I933-A936 WeakPolarHBondContact O-CB 3.49Å; I933-A936 PolarHBondContact O-N 3.28Å; I933-A936 VanDerWaalsContact O-N 3.13Å; A936-K938 PolarHBondContact O-N 3.34Å; A936-Y939 PolarHBondContact O-N 3.28Å; A936-L941 HydrophobicContact CB-CD2 4.1Å; A936-I943 HydrophobicContact CB-CD1 3.94Å
937	C	91.5	Very high	93.4	Very high	9 Å²	9	27.3 Å²	27.3	6%	0.061	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-8.1	176.9	-62.9	0	0	0	0	114.7	I933 T935 R966 W968 N970	I933-C937 PolarHBondContact O-N 3.45Å; I933-C937 PolarHBondContact O-SG 3.21Å; T935-C937 VanDerWaalsContact C-N 3.27Å; T935-C937 PolarHBondContact O-N 3.2Å; C937-R966 PolarHBondContact SG-NE 2.75Å; C937-W968 PolarHBondContact O-NE1 3.09Å; C937-N970 PolarHBondContact SG-OD1 3.28Å; C937-N970 VanDerWaalsContact SG-OD1 3.32Å
938	K	90.5	Very high	93.8	Very high	128 Å²	128	24.9 Å²	24.9	56%	0.557	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.1	5.4	178.5	-60.4	175.2	-176.9	172.4	0	113.6	T935 A936	T935-K938 PolarHBondContact O-N 3.23Å; A936-K938 PolarHBondContact O-N 3.34Å
939	Y	93.1	Very high	93.9	Very high	60 Å²	60	20.8 Å²	20.8	24%	0.235	10%	0.097	C	C	.	.	S	Bend	trans	-131.3	161.6	-175.8	-58.9	-86.6	0	0	0	109.4	I899 K903 T935 A936 L941	I899-Y939 HydrophobicContact CD1-CD2 4.44Å; I899-Y939 HydrophobicContact CD1-CE2 4.48Å; I899-Y939 HydrophobicContact CG1-CD2 4.07Å; I899-Y939 HydrophobicContact CG1-CE2 4.38Å; I899-Y939 HydrophobicContact CG2-CD1 4.34Å; I899-Y939 HydrophobicContact CG2-CD2 3.84Å; I899-Y939 HydrophobicContact CG2-CE1 4.04Å; I899-Y939 HydrophobicContact CG2-CE2 3.51Å; I899-Y939 HydrophobicContact CG2-CG 4.25Å; K903-Y939 HydrophobicContact CD-CE1 4.37Å; K903-Y939 WeakPolarHBondContact CE-OH 3.28Å; K903-Y939 HydrophobicContact CG-CD1 4.43Å; K903-Y939 HydrophobicContact CG-CE1 3.84Å; T935-Y939 HydrophobicContact CG2-CE2 4.41Å; T935-Y939 WeakPolarHBondContact O-CD2 3.44Å; T935-Y939 WeakPolarHBondContact O-CE2 3.43Å; A936-Y939 PolarHBondContact O-N 3.28Å; Y939-L941 PolarHBondContact O-N 3.28Å
940	P	93.4	Very high	94	Very high	6 Å²	6	21.9 Å²	21.9	4%	0.039	10%	0.103	C	C	.	.	S	Bend	trans	-75.1	59.7	172.6	34.1	-38.3	0	0	0	111.3	T910 D911 Y912 H913 I1005 L1010 L1011	T910-P940 HydrophobicContact CG2-CG 4.17Å; D911-P940 VanDerWaalsContact O-CG 3.24Å; D911-P940 WeakPolarHBondContact O-CG 3.49Å; Y912-P940 WeakPolarHBondContact CD2-O 3.48Å; H913-P940 PolarHBondContact N-O 3.06Å; P940-I1005 HydrophobicContact CB-CG2 3.76Å; P940-L1010 WeakPolarHBondContact CB-O 3.45Å; P940-L1010 WeakPolarHBondContact CG-O 3.36Å; P940-L1011 HydrophobicContact CB-CD2 3.76Å; P940-L1011 HydrophobicContact CB-CG 3.86Å; P940-L1011 HydrophobicContact CG-CD2 4.4Å
941	L	94.9	Very high	93.9	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	125.4	-175.4	176.4	60.6	0	0	0	109.4	I899 H913 L915 A936 Y939 N970	I899-L941 HydrophobicContact CG1-CD2 3.85Å; H913-L941 HydrophobicContact CB-CD1 3.72Å; H913-L941 WeakPolarHBondContact O-CA 3.37Å; L915-L941 HydrophobicContact CB-CD1 4.02Å; A936-L941 HydrophobicContact CB-CD2 4.1Å; Y939-L941 PolarHBondContact O-N 3.28Å; L941-N970 PolarHBondContact O-ND2 2.96Å
942	S	95.8	Very high	93.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	149.9	166	-79.5	0	0	0	0	110.5	Y912 H913 I914 L915 Q1001	Y912-S942 WeakPolarHBondContact OH-CB 3.38Å; Y912-S942 PolarHBondContact OH-OG 3.4Å; H913-S942 PolarHBondContact O-N 3.39Å; I914-S942 WeakPolarHBondContact CA-O 3.47Å; L915-S942 PolarHBondContact N-O 2.95Å; S942-Q1001 PolarHBondContact OG-OE1 2.87Å
943	I	95.9	Very high	93.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	122.4	-175.1	-53.2	174.7	0	0	0	108	I895 L915 I917 I933 A936 V945 N970 F971 H972	I895-I943 HydrophobicContact CD1-CD1 4.12Å; I895-I943 HydrophobicContact CG1-CD1 4.13Å; I895-I943 HydrophobicContact CG2-CD1 4.16Å; L915-I943 HydrophobicContact CB-CG1 4.5Å; L915-I943 HydrophobicContact CD2-CG1 4.32Å; L915-I943 HydrophobicContact CD2-CG2 4.22Å; L915-I943 HydrophobicContact CG-CG2 4.47Å; L915-I943 CarbonylContact O-C 3.28Å; L915-I943 WeakPolarHBondContact O-CA 3.31Å; I917-I943 HydrophobicContact CD1-CG2 3.93Å; I917-I943 HydrophobicContact CG1-CG2 4.19Å; I933-I943 HydrophobicContact CG1-CD1 4.34Å; A936-I943 HydrophobicContact CB-CD1 3.94Å; I943-V945 HydrophobicContact CG2-CG2 4.13Å; I943-N970 WeakPolarHBondContact CB-O 3.47Å; I943-N970 PolarHBondContact N-O 3.44Å; I943-F971 HydrophobicContact CB-CD2 4.28Å; I943-F971 HydrophobicContact CG2-CD2 3.96Å; I943-F971 HydrophobicContact CG2-CE2 4.42Å; I943-F971 CarbonylContact O-C 3.58Å; I943-F971 VanDerWaalsContact O-CA 3.29Å; I943-F971 WeakPolarHBondContact O-CA 3.36Å; I943-H972 PolarHBondContact O-N 2.86Å
944	I	96.1	Very high	93.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.7	169.2	-55.4	164.2	0	0	0	106.7	I914 L915 V916 I917 V946 H972 S994 L995 I998	I914-I944 HydrophobicContact CG2-CD1 3.59Å; I914-I944 HydrophobicContact CG2-CG1 4.16Å; L915-I944 PolarHBondContact O-N 3.37Å; V916-I944 WeakPolarHBondContact CA-O 3.42Å; V916-I944 HydrophobicContact CG2-CD1 4.32Å; I917-I944 PolarHBondContact N-O 3.05Å; I944-V946 HydrophobicContact CG2-CG2 4.1Å; I944-H972 CarbonylContact C-O 3.57Å; I944-H972 WeakPolarHBondContact CA-O 3.18Å; I944-S994 WeakPolarHBondContact CD1-O 3.5Å; I944-L995 HydrophobicContact CD1-CD2 3.82Å; I944-I998 HydrophobicContact CD1-CD1 3.94Å; I944-I998 HydrophobicContact CD1-CG1 4.09Å; I944-I998 HydrophobicContact CG1-CD1 3.94Å; I944-I998 HydrophobicContact CG1-CG1 4.44Å
945	V	96	Very high	93	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.4	171.6	-177.2	0	0	0	0	109.1	F891 I917 I943 M956 F971 H972 F973 V974	F891-V945 HydrophobicContact CE2-CG1 4.05Å; F891-V945 HydrophobicContact CE2-CG2 4.36Å; F891-V945 HydrophobicContact CZ-CG1 4.34Å; I917-V945 HydrophobicContact CB-CG2 4.18Å; I917-V945 HydrophobicContact CD1-CG2 4.11Å; I917-V945 HydrophobicContact CG1-CG2 4.32Å; I917-V945 WeakPolarHBondContact O-CA 3.4Å; I943-V945 HydrophobicContact CG2-CG2 4.13Å; V945-M956 HydrophobicContact CG1-SD 4.18Å; V945-F971 HydrophobicContact CB-CE2 4.37Å; V945-F971 HydrophobicContact CB-CZ 4.07Å; V945-F971 HydrophobicContact CG2-CD2 4.09Å; V945-F971 HydrophobicContact CG2-CE1 4.36Å; V945-F971 HydrophobicContact CG2-CE2 3.29Å; V945-F971 HydrophobicContact CG2-CZ 3.45Å; V945-F971 VanDerWaalsContact CG2-CZ 3.45Å; V945-H972 PolarHBondContact N-O 2.88Å; V945-F973 HydrophobicContact CB-CD2 4.18Å; V945-F973 HydrophobicContact CG1-CD2 4.1Å; V945-F973 WeakPolarHBondContact O-CA 3.48Å; V945-F973 VanDerWaalsContact O-CD2 3.29Å; V945-F973 WeakPolarHBondContact O-CD2 3.21Å; V945-V974 PolarHBondContact O-N 2.72Å
946	V	97.1	Very high	92.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	110.2	177.3	-175.3	0	0	0	0	108.9	V825 L829 V916 I917 A919 I944 V948 V974 F976 F990	V825-V946 HydrophobicContact CG1-CB 4.11Å; V825-V946 HydrophobicContact CG1-CG1 3.96Å; V825-V946 HydrophobicContact CG1-CG2 3.98Å; V825-V946 HydrophobicContact CG2-CG1 3.68Å; L829-V946 HydrophobicContact CD1-CG2 3.93Å; V916-V946 HydrophobicContact CG1-CG2 4.29Å; I917-V946 PolarHBondContact O-N 2.76Å; A919-V946 PolarHBondContact N-O 2.86Å; A919-V946 VanDerWaalsContact N-O 3.14Å; I944-V946 HydrophobicContact CG2-CG2 4.1Å; V946-V948 HydrophobicContact CG1-CG1 4.2Å; V946-V948 PolarHBondContact O-N 2.71Å; V946-V974 CarbonylContact C-O 3.56Å; V946-V974 WeakPolarHBondContact CA-O 3.3Å; V946-F976 HydrophobicContact CG1-CB 3.92Å; V946-F990 HydrophobicContact CB-CZ 4.4Å; V946-F990 HydrophobicContact CG1-CE2 3.7Å; V946-F990 HydrophobicContact CG1-CZ 3.56Å; V946-F990 HydrophobicContact CG2-CE2 4.34Å; V946-F990 HydrophobicContact CG2-CZ 3.9Å
947	G	96.6	Very high	92.3	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.01	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	114.5	172.8	0	0	0	0	0	110.8	A919 V974 F976	A919-G947 WeakPolarHBondContact O-CA 3.29Å; G947-V974 PolarHBondContact N-O 3Å; G947-F976 VanDerWaalsContact O-CB 3.23Å; G947-F976 WeakPolarHBondContact O-CB 3.45Å; G947-F976 PolarHBondContact O-N 2.85Å
948	V	96.8	Very high	91.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.148	C	C	.	.			trans	-115.2	124.9	173.6	-69.2	0	0	0	0	111.1	L811 P821 Y822 V825 V918 A919 D920 V946 W953 F976	L811-V948 VanDerWaalsContact CD1-O 3.3Å; L811-V948 WeakPolarHBondContact CD1-O 3.28Å; P821-V948 HydrophobicContact CB-CB 3.77Å; P821-V948 HydrophobicContact CB-CG1 3.75Å; Y822-V948 HydrophobicContact CD1-CG2 4.45Å; Y822-V948 HydrophobicContact CD2-CG2 4.1Å; Y822-V948 HydrophobicContact CE1-CG2 4.01Å; Y822-V948 HydrophobicContact CE2-CG2 3.6Å; Y822-V948 HydrophobicContact CG-CG2 4.48Å; V825-V948 HydrophobicContact CG2-CG1 3.85Å; V918-V948 HydrophobicContact CG1-CB 4.41Å; V918-V948 HydrophobicContact CG1-CG1 3.78Å; V918-V948 HydrophobicContact CG1-CG2 3.67Å; A919-V948 PolarHBondContact O-N 2.83Å; D920-V948 VanDerWaalsContact CA-O 3.31Å; D920-V948 WeakPolarHBondContact CA-O 3.28Å; D920-V948 WeakPolarHBondContact CB-O 3.13Å; V946-V948 HydrophobicContact CG1-CG1 4.2Å; V946-V948 PolarHBondContact O-N 2.71Å; V948-W953 VanDerWaalsContact N-CH2 3.29Å; V948-F976 HydrophobicContact CG1-CB 3.98Å; V948-F976 HydrophobicContact CG1-CD1 4.31Å; V948-F976 HydrophobicContact CG1-CG 4.2Å
949	G	95.1	Very high	91.5	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.021	12%	0.122	C	C	.	.	S	Bend	trans	125.2	-155.4	176.9	0	0	0	0	0	113.6	Q801 T805 H977	Q801-G949 CarbonylContact O-C 3.56Å; Q801-G949 WeakPolarHBondContact O-CA 3.28Å; T805-G949 WeakPolarHBondContact CG2-O 3.14Å; G949-H977 PolarHBondContact N-CE1 3.1Å; G949-H977 PolarHBondContact N-ND1 2.78Å; G949-H977 VanDerWaalsContact N-ND1 3.17Å; G949-H977 PolarHBondContact O-ND1 2.62Å
950	D	93.3	Very high	91	Very high	23 Å²	23	23.9 Å²	23.9	12%	0.123	12%	0.122	C	C	.	.	S	Bend	trans	-86.2	-17.4	-173.1	-94.1	45.5	0	0	0	113.8	Q801 R804 T805	Q801-D950 PolarHBondContact O-N 3.47Å; R804-D950 VanDerWaalsContact CB-OD2 3.24Å; R804-D950 WeakPolarHBondContact CB-OD2 3.48Å; R804-D950 VanDerWaalsContact CG-OD2 3.3Å; R804-D950 WeakPolarHBondContact CG-OD2 3.13Å; R804-D950 IonicContact CZ-OD2 2.72Å; R804-D950 PolarHBondContact N-OD1 2.94Å; R804-D950 PolarHBondContact N-OD2 3.38Å; R804-D950 VanDerWaalsContact N-OD2 3.07Å; R804-D950 IonicContact NE-OD2 2.87Å; R804-D950 PolarHBondContact NE-OD2 2.98Å; R804-D950 VanDerWaalsContact NH2-CB 3.33Å; R804-D950 PolarHBondContact NH2-O 3.35Å; R804-D950 IonicContact NH2-OD2 2.77Å; R804-D950 PolarHBondContact NH2-OD2 2.95Å; T805-D950 WeakPolarHBondContact CG2-OD1 3.35Å; T805-D950 PolarHBondContact N-OD1 3.44Å; T805-D950 PolarHBondContact OG1-OD1 3.27Å
951	G	88.2	Confident	90.4	Very high	6 Å²	6	31.7 Å²	31.7	6%	0.062	16%	0.158	C	C	.	.			trans	79	-157.8	-179.7	0	0	0	0	0	113.9	Q801	Q801-G951 PolarHBondContact NE2-O 2.67Å; Q801-G951 VanDerWaalsContact OE1-N 3.17Å; Q801-G951 PolarHBondContact OE1-O 3.34Å; Q801-G951 VanDerWaalsContact OE1-O 3.08Å
952	P	90.1	Very high	89	Confident	72 Å²	72	34.6 Å²	34.6	47%	0.468	18%	0.179	S	C	.	.			cis	-74.1	161.5	8.5	30	-37.3	0	0	0	114.7	Q922	Q922-P952 PolarHBondContact NE2-O 2.98Å
953	W	89.9	Confident	87.7	Confident	23 Å²	23	35.5 Å²	35.5	9%	0.087	18%	0.183	C	C	.	.			trans	-108.5	0.9	-176.6	-57.4	126.5	0	0	0	114.9	D920 V948 M955 M956 R957 F973 D975	D920-W953 VanDerWaalsContact C-CZ3 3.48Å; D920-W953 WeakPolarHBondContact O-CH2 3.35Å; D920-W953 WeakPolarHBondContact O-CZ3 3.3Å; V948-W953 VanDerWaalsContact N-CH2 3.29Å; W953-M955 PolarHBondContact O-N 2.96Å; W953-M956 HydrophobicContact CE3-CG 4.47Å; W953-M956 WeakPolarHBondContact O-CB 3.43Å; W953-M956 PolarHBondContact O-N 2.81Å; W953-R957 PolarHBondContact O-N 3.08Å; W953-R957 VanDerWaalsContact O-N 3.16Å; W953-F973 HydrophobicContact CB-CE1 3.9Å; W953-F973 HydrophobicContact CB-CZ 3.8Å; W953-F973 AromaticContact CD2-CZ 3.77Å; W953-F973 HydrophobicContact CD2-CZ 3.77Å; W953-F973 HydrophobicContact CE3-CE2 4.01Å; W953-F973 AromaticContact CE3-CZ 3.67Å; W953-F973 HydrophobicContact CE3-CZ 3.67Å; W953-F973 HydrophobicContact CG-CE1 4.29Å; W953-F973 AromaticContact CG-CZ 3.82Å; W953-F973 HydrophobicContact CG-CZ 3.82Å; W953-D975 VanDerWaalsContact NE1-CG 3.34Å; W953-D975 PolarHBondContact NE1-OD1 3.44Å; W953-D975 PolarHBondContact NE1-OD2 3.28Å
954	E	87.7	Confident	85.9	Confident	129 Å²	129	39.8 Å²	39.8	60%	0.603	21%	0.211	S	C	*	.	H	α-helix	trans	-55	-46.6	-169.3	-165.4	69	-176.2	0	0	112.9	M956 R957 V958	E954-M956 VanDerWaalsContact C-N 3.28Å; E954-M956 PolarHBondContact O-N 3.09Å; E954-R957 WeakPolarHBondContact O-CB 3.47Å; E954-R957 PolarHBondContact O-N 2.9Å; E954-R957 VanDerWaalsContact O-N 3.13Å; E954-V958 WeakPolarHBondContact O-CG2 3.3Å; E954-V958 PolarHBondContact O-N 2.91Å
955	M	84.6	Confident	84.2	Confident	34 Å²	34	51.4 Å²	51.4	17%	0.167	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-34.6	178.5	-171.4	-170.9	-66.6	0	0	112.8	V923 E926 W953 V958 F959	V923-M955 HydrophobicContact CB-SD 3.85Å; V923-M955 HydrophobicContact CG1-SD 4.31Å; V923-M955 VanDerWaalsContact O-CE 3.29Å; V923-M955 WeakPolarHBondContact O-CE 3.16Å; E926-M955 HydrophobicContact CG-CE 3.88Å; E926-M955 HydrophobicContact CG-CG 4.26Å; E926-M955 HydrophobicContact CG-SD 3.56Å; E926-M955 VanDerWaalsContact CG-SD 3.56Å; W953-M955 PolarHBondContact O-N 2.96Å; M955-V958 PolarHBondContact O-N 3.15Å; M955-F959 HydrophobicContact CG-CE2 4.08Å; M955-F959 HydrophobicContact CG-CZ 4.22Å; M955-F959 PolarHBondContact O-N 2.72Å; M955-F959 VanDerWaalsContact O-N 3.15Å; M955-F959 HydrophobicContact SD-CE2 4.29Å; M955-F959 HydrophobicContact SD-CZ 4.39Å
956	M	85.3	Confident	83	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-69.6	-38.9	176.9	-59	-61.1	95.9	0	0	110.9	F891 V923 V945 W953 E954 V958 F959 D960 F973	F891-M956 HydrophobicContact CE2-SD 3.93Å; F891-M956 HydrophobicContact CZ-SD 4.4Å; V923-M956 HydrophobicContact CB-CE 3.85Å; V923-M956 HydrophobicContact CG2-CE 3.55Å; V923-M956 HydrophobicContact CG2-SD 4.27Å; V945-M956 HydrophobicContact CG1-SD 4.18Å; W953-M956 HydrophobicContact CE3-CG 4.47Å; W953-M956 WeakPolarHBondContact O-CB 3.43Å; W953-M956 PolarHBondContact O-N 2.81Å; E954-M956 VanDerWaalsContact C-N 3.28Å; E954-M956 PolarHBondContact O-N 3.09Å; M956-V958 VanDerWaalsContact C-N 3.3Å; M956-V958 PolarHBondContact O-N 3.4Å; M956-F959 HydrophobicContact CE-CD2 3.68Å; M956-F959 HydrophobicContact CE-CE2 3.64Å; M956-F959 PolarHBondContact O-N 3.22Å; M956-F959 HydrophobicContact SD-CD2 4.4Å; M956-D960 WeakPolarHBondContact O-CB 3.42Å; M956-D960 PolarHBondContact O-N 2.9Å; M956-F973 HydrophobicContact CB-CB 4.39Å; M956-F973 HydrophobicContact CB-CD1 3.91Å; M956-F973 HydrophobicContact CB-CD2 3.44Å; M956-F973 VanDerWaalsContact CB-CD2 3.44Å; M956-F973 HydrophobicContact CB-CE1 4.06Å; M956-F973 HydrophobicContact CB-CE2 3.6Å; M956-F973 HydrophobicContact CB-CG 3.6Å; M956-F973 HydrophobicContact CB-CZ 3.92Å; M956-F973 HydrophobicContact CG-CD2 3.96Å; M956-F973 HydrophobicContact CG-CE2 3.81Å; M956-F973 HydrophobicContact CG-CZ 4.33Å
957	R	86.3	Confident	81.7	Confident	96 Å²	96	59.5 Å²	59.5	36%	0.362	29%	0.291	S	S	.	.	H	α-helix	trans	-64.9	-32.4	173	-59.8	-176.6	-173	-70.4	-4.7	112.3	W953 E954 D960 E961 F973 D975	W953-R957 PolarHBondContact O-N 3.08Å; W953-R957 VanDerWaalsContact O-N 3.16Å; E954-R957 WeakPolarHBondContact O-CB 3.47Å; E954-R957 PolarHBondContact O-N 2.9Å; E954-R957 VanDerWaalsContact O-N 3.13Å; R957-D960 WeakPolarHBondContact O-CB 3.22Å; R957-D960 PolarHBondContact O-N 3.35Å; R957-E961 PolarHBondContact O-N 2.87Å; R957-F973 HydrophobicContact CG-CD1 4.12Å; R957-F973 HydrophobicContact CG-CE1 4.23Å; R957-D975 IonicContact NH2-OD2 2.78Å
958	V	83.2	Confident	81.2	Confident	59 Å²	59	60.1 Å²	60.1	36%	0.358	29%	0.293	S	S	.	.	H	α-helix	trans	-66.8	-37.5	172.7	170.4	0	0	0	0	111.9	E954 M955 M956 D960 S962	E954-V958 WeakPolarHBondContact O-CG2 3.3Å; E954-V958 PolarHBondContact O-N 2.91Å; M955-V958 PolarHBondContact O-N 3.15Å; M956-V958 VanDerWaalsContact C-N 3.3Å; M956-V958 PolarHBondContact O-N 3.4Å; V958-D960 VanDerWaalsContact C-N 3.33Å; V958-S962 CarbonylContact O-C 3.58Å; V958-S962 WeakPolarHBondContact O-CA 3.37Å; V958-S962 PolarHBondContact O-N 3.06Å; V958-S962 PolarHBondContact O-OG 2.87Å
959	F	81.9	Confident	80.8	Confident	1 Å²	1	62.7 Å²	62.7	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-71.9	-25.5	172.9	-65.5	-34.2	0	0	0	113.8	V923 E926 T929 R930 M955 M956 L963 F971	V923-F959 HydrophobicContact CG1-CE2 4.46Å; E926-F959 HydrophobicContact CG-CZ 4.04Å; T929-F959 HydrophobicContact CG2-CE2 4.05Å; T929-F959 HydrophobicContact CG2-CZ 4.28Å; R930-F959 HydrophobicContact CB-CE1 4.37Å; M955-F959 HydrophobicContact CG-CE2 4.08Å; M955-F959 HydrophobicContact CG-CZ 4.22Å; M955-F959 PolarHBondContact O-N 2.72Å; M955-F959 VanDerWaalsContact O-N 3.15Å; M955-F959 HydrophobicContact SD-CE2 4.29Å; M955-F959 HydrophobicContact SD-CZ 4.39Å; M956-F959 HydrophobicContact CE-CD2 3.68Å; M956-F959 HydrophobicContact CE-CE2 3.64Å; M956-F959 PolarHBondContact O-N 3.22Å; M956-F959 HydrophobicContact SD-CD2 4.4Å; F959-L963 HydrophobicContact CD1-CD2 3.86Å; F959-L963 WeakPolarHBondContact O-CG 3.25Å; F959-F971 HydrophobicContact CB-CD1 4.15Å; F959-F971 HydrophobicContact CB-CE1 3.55Å; F959-F971 HydrophobicContact CB-CZ 3.78Å; F959-F971 HydrophobicContact CD2-CZ 4.25Å; F959-F971 HydrophobicContact CG-CZ 4.48Å
960	D	84	Confident	80.7	Confident	46 Å²	46	62.6 Å²	62.6	25%	0.246	31%	0.306	C	S	.	.	H	α-helix	trans	-74.9	-60.7	174.6	-155.6	60.3	0	0	0	110.6	M956 R957 V958 S962 H972 F973	M956-D960 WeakPolarHBondContact O-CB 3.42Å; M956-D960 PolarHBondContact O-N 2.9Å; R957-D960 WeakPolarHBondContact O-CB 3.22Å; R957-D960 PolarHBondContact O-N 3.35Å; V958-D960 VanDerWaalsContact C-N 3.33Å; D960-S962 PolarHBondContact O-N 3.38Å; D960-H972 WeakPolarHBondContact OD1-CA 3.45Å; D960-F973 HydrophobicContact CB-CB 4.15Å; D960-F973 PolarHBondContact OD1-N 3.35Å
961	E	80	Confident	80.7	Confident	171 Å²	171	61.5 Å²	61.5	80%	0.799	30%	0.3	S	S	*	.	H	α-helix	trans	-75.8	-24.7	-174.4	-65.6	-172.2	-166.3	0	0	114.5	R957	R957-E961 PolarHBondContact O-N 2.87Å
962	S	65.3	Low	80.9	Confident	61 Å²	61	61.8 Å²	61.8	43%	0.427	30%	0.3	S	S	.	.			trans	-150.2	58.6	-157.4	67.1	0	0	0	0	116.9	V958 D960 P964	V958-S962 CarbonylContact O-C 3.58Å; V958-S962 WeakPolarHBondContact O-CA 3.37Å; V958-S962 PolarHBondContact O-N 3.06Å; V958-S962 PolarHBondContact O-OG 2.87Å; D960-S962 PolarHBondContact O-N 3.38Å; S962-P964 WeakPolarHBondContact O-CD 3.41Å
963	L	67.6	Low	81.1	Confident	18 Å²	18	58.8 Å²	58.8	9%	0.094	28%	0.279	C	S	.	.			trans	-90.8	97.2	164.2	-71.8	-175.3	0	0	0	112.6	R930 I933 F959 R966	R930-L963 HydrophobicContact CG-CD2 3.85Å; I933-L963 HydrophobicContact CB-CD1 4.15Å; I933-L963 HydrophobicContact CD1-CD1 4.22Å; I933-L963 HydrophobicContact CG2-CD1 3.52Å; F959-L963 HydrophobicContact CD1-CD2 3.86Å; F959-L963 WeakPolarHBondContact O-CG 3.25Å; L963-R966 WeakPolarHBondContact O-CB 3.4Å
964	P	59.3	Low	81.3	Confident	91 Å²	91	57.9 Å²	57.9	59%	0.591	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	146.3	179	28.3	-36.2	0	0	0	112.1	S962	S962-P964 WeakPolarHBondContact O-CD 3.41Å
965	R	60.5	Low	81.7	Confident	244 Å²	244	53.1 Å²	53.1	92%	0.921	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	7.2	-177.6	-49.6	176.3	175.8	168.8	-0.2	116.4
966	R	70.1	Confident	82.2	Confident	40 Å²	40	51.6 Å²	51.6	15%	0.151	25%	0.248	C	C	.	.			trans	-69	141.5	174.3	-149.6	-172	-162.6	146.2	9.4	112.4	I933 C937 L963 W968 D969 N970	I933-R966 VanDerWaalsContact CG2-NH2 3.25Å; C937-R966 PolarHBondContact SG-NE 2.75Å; L963-R966 WeakPolarHBondContact O-CB 3.4Å; R966-W968 WeakPolarHBondContact CD-O 3.49Å; R966-W968 WeakPolarHBondContact CG-O 3.17Å; R966-W968 PolarHBondContact NE-O 3.43Å; R966-W968 VanDerWaalsContact NE-O 3.16Å; R966-D969 WeakPolarHBondContact CD-OD2 3.49Å; R966-D969 IonicContact CZ-OD1 3.72Å; R966-D969 IonicContact CZ-OD2 3.32Å; R966-D969 IonicContact NE-OD1 3.39Å; R966-D969 IonicContact NE-OD2 2.9Å; R966-D969 IonicContact NH1-OD1 3.14Å; R966-D969 PolarHBondContact NH1-OD1 3.38Å; R966-D969 IonicContact NH1-OD2 2.69Å; R966-D969 PolarHBondContact NH1-OD2 3.14Å; R966-D969 IonicContact NH2-OD1 2.69Å; R966-D969 PolarHBondContact NH2-OD1 3.02Å; R966-N970 PolarHBondContact NH2-OD1 2.97Å
967	E	70.8	Confident	82.7	Confident	131 Å²	131	53.2 Å²	53.2	61%	0.612	26%	0.255	S	S	*	.	S	Bend	trans	-84.9	-25.3	177.9	-71.5	-177	-158.4	0	0	113.9	R1004	E967-R1004 PolarHBondContact O-NH2 2.78Å
968	W	84.5	Confident	82.9	Confident	14 Å²	14	50.4 Å²	50.4	5%	0.053	26%	0.256	C	S	.	.	S	Bend	trans	-170.2	155.3	-178.6	62.4	-76	0	0	0	109.1	C937 R966 N970 Q1001 R1004 I1005 L1008 L1010	C937-W968 PolarHBondContact O-NE1 3.09Å; R966-W968 WeakPolarHBondContact CD-O 3.49Å; R966-W968 WeakPolarHBondContact CG-O 3.17Å; R966-W968 PolarHBondContact NE-O 3.43Å; R966-W968 VanDerWaalsContact NE-O 3.16Å; W968-N970 HydrophobicContact CE3-CB 4.1Å; W968-N970 HydrophobicContact CH2-CB 3.29Å; W968-N970 HydrophobicContact CZ2-CB 3.92Å; W968-N970 HydrophobicContact CZ3-CB 3.4Å; W968-N970 VanDerWaalsContact CZ3-CB 3.4Å; W968-Q1001 HydrophobicContact CZ3-CB 4.26Å; W968-R1004 HydrophobicContact CB-CG 3.5Å; W968-R1004 HydrophobicContact CD2-CG 4.14Å; W968-R1004 HydrophobicContact CE3-CB 4.36Å; W968-R1004 HydrophobicContact CE3-CG 3.99Å; W968-R1004 HydrophobicContact CG-CG 3.97Å; W968-I1005 HydrophobicContact CE3-CG1 4.18Å; W968-I1005 HydrophobicContact CH2-CD1 3.5Å; W968-I1005 HydrophobicContact CH2-CG1 3.22Å; W968-I1005 HydrophobicContact CZ2-CD1 4.44Å; W968-I1005 HydrophobicContact CZ2-CG1 3.82Å; W968-I1005 HydrophobicContact CZ3-CD1 3.78Å; W968-I1005 HydrophobicContact CZ3-CG1 3.41Å; W968-I1005 VanDerWaalsContact CZ3-CG1 3.41Å; W968-L1008 HydrophobicContact CB-CD1 4.11Å; W968-L1008 HydrophobicContact CD2-CD1 4.07Å; W968-L1008 HydrophobicContact CG-CD1 3.53Å; W968-L1010 HydrophobicContact CZ2-CD1 4.15Å
969	D	89	Confident	83.4	Confident	55 Å²	55	49 Å²	49	29%	0.294	25%	0.248	S	C	.	.			trans	-82.3	134.7	-178.2	-138.2	-62	0	0	0	114.2	R966 F971 Q1001	R966-D969 WeakPolarHBondContact CD-OD2 3.49Å; R966-D969 IonicContact CZ-OD1 3.72Å; R966-D969 IonicContact CZ-OD2 3.32Å; R966-D969 IonicContact NE-OD1 3.39Å; R966-D969 IonicContact NE-OD2 2.9Å; R966-D969 IonicContact NH1-OD1 3.14Å; R966-D969 PolarHBondContact NH1-OD1 3.38Å; R966-D969 IonicContact NH1-OD2 2.69Å; R966-D969 PolarHBondContact NH1-OD2 3.14Å; R966-D969 IonicContact NH2-OD1 2.69Å; R966-D969 PolarHBondContact NH2-OD1 3.02Å; D969-F971 PolarHBondContact OD1-N 2.91Å; D969-F971 VanDerWaalsContact OD1-O 3.12Å; D969-Q1001 WeakPolarHBondContact O-CG 3.31Å
970	N	92.8	Very high	83.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.			trans	-139.4	14	178.2	95.5	-34.4	0	0	0	113.3	C937 L941 I943 R966 W968	C937-N970 PolarHBondContact SG-OD1 3.28Å; C937-N970 VanDerWaalsContact SG-OD1 3.32Å; L941-N970 PolarHBondContact O-ND2 2.96Å; I943-N970 WeakPolarHBondContact CB-O 3.47Å; I943-N970 PolarHBondContact N-O 3.44Å; R966-N970 PolarHBondContact NH2-OD1 2.97Å; W968-N970 HydrophobicContact CE3-CB 4.1Å; W968-N970 HydrophobicContact CH2-CB 3.29Å; W968-N970 HydrophobicContact CZ2-CB 3.92Å; W968-N970 HydrophobicContact CZ3-CB 3.4Å; W968-N970 VanDerWaalsContact CZ3-CB 3.4Å
971	F	92.9	Very high	84.2	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	120.5	-179.5	179.8	-80.6	0	0	0	108.7	I933 I943 V945 F959 D969 F973	I933-F971 HydrophobicContact CD1-CD2 3.58Å; I933-F971 HydrophobicContact CD1-CE2 3.62Å; I933-F971 HydrophobicContact CD1-CG 4.4Å; I933-F971 HydrophobicContact CD1-CZ 4.49Å; I933-F971 HydrophobicContact CG1-CD2 4.02Å; I933-F971 HydrophobicContact CG1-CE2 4.4Å; I933-F971 HydrophobicContact CG2-CB 4.15Å; I933-F971 HydrophobicContact CG2-CD2 4.43Å; I943-F971 HydrophobicContact CB-CD2 4.28Å; I943-F971 HydrophobicContact CG2-CD2 3.96Å; I943-F971 HydrophobicContact CG2-CE2 4.42Å; I943-F971 CarbonylContact O-C 3.58Å; I943-F971 VanDerWaalsContact O-CA 3.29Å; I943-F971 WeakPolarHBondContact O-CA 3.36Å; V945-F971 HydrophobicContact CB-CE2 4.37Å; V945-F971 HydrophobicContact CB-CZ 4.07Å; V945-F971 HydrophobicContact CG2-CD2 4.09Å; V945-F971 HydrophobicContact CG2-CE1 4.36Å; V945-F971 HydrophobicContact CG2-CE2 3.29Å; V945-F971 HydrophobicContact CG2-CZ 3.45Å; V945-F971 VanDerWaalsContact CG2-CZ 3.45Å; F959-F971 HydrophobicContact CB-CD1 4.15Å; F959-F971 HydrophobicContact CB-CE1 3.55Å; F959-F971 HydrophobicContact CB-CZ 3.78Å; F959-F971 HydrophobicContact CD2-CZ 4.25Å; F959-F971 HydrophobicContact CG-CZ 4.48Å; D969-F971 PolarHBondContact OD1-N 2.91Å; D969-F971 VanDerWaalsContact OD1-O 3.12Å; F971-F973 HydrophobicContact CE1-CB 4.23Å
972	H	93.8	Very high	84.3	Confident	12 Å²	12	48.6 Å²	48.6	6%	0.056	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.9	-178.9	-179.1	51.6	0	0	0	110.1	I943 I944 V945 D960 V974 E993	I943-H972 PolarHBondContact O-N 2.86Å; I944-H972 CarbonylContact C-O 3.57Å; I944-H972 WeakPolarHBondContact CA-O 3.18Å; V945-H972 PolarHBondContact N-O 2.88Å; D960-H972 WeakPolarHBondContact OD1-CA 3.45Å; H972-V974 WeakPolarHBondContact NE2-CG2 3.37Å; H972-E993 PolarHBondContact NE2-O 3.27Å
973	F	94.3	Very high	85.4	Confident	8 Å²	8	46.8 Å²	46.8	4%	0.035	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.6	-179	172.8	-105.7	0	0	0	113	V945 W953 M956 R957 D960 F971 D975	V945-F973 HydrophobicContact CB-CD2 4.18Å; V945-F973 HydrophobicContact CG1-CD2 4.1Å; V945-F973 WeakPolarHBondContact O-CA 3.48Å; V945-F973 VanDerWaalsContact O-CD2 3.29Å; V945-F973 WeakPolarHBondContact O-CD2 3.21Å; W953-F973 HydrophobicContact CB-CE1 3.9Å; W953-F973 HydrophobicContact CB-CZ 3.8Å; W953-F973 AromaticContact CD2-CZ 3.77Å; W953-F973 HydrophobicContact CD2-CZ 3.77Å; W953-F973 HydrophobicContact CE3-CE2 4.01Å; W953-F973 AromaticContact CE3-CZ 3.67Å; W953-F973 HydrophobicContact CE3-CZ 3.67Å; W953-F973 HydrophobicContact CG-CE1 4.29Å; W953-F973 AromaticContact CG-CZ 3.82Å; W953-F973 HydrophobicContact CG-CZ 3.82Å; M956-F973 HydrophobicContact CB-CB 4.39Å; M956-F973 HydrophobicContact CB-CD1 3.91Å; M956-F973 HydrophobicContact CB-CD2 3.44Å; M956-F973 VanDerWaalsContact CB-CD2 3.44Å; M956-F973 HydrophobicContact CB-CE1 4.06Å; M956-F973 HydrophobicContact CB-CE2 3.6Å; M956-F973 HydrophobicContact CB-CG 3.6Å; M956-F973 HydrophobicContact CB-CZ 3.92Å; M956-F973 HydrophobicContact CG-CD2 3.96Å; M956-F973 HydrophobicContact CG-CE2 3.81Å; M956-F973 HydrophobicContact CG-CZ 4.33Å; R957-F973 HydrophobicContact CG-CD1 4.12Å; R957-F973 HydrophobicContact CG-CE1 4.23Å; D960-F973 HydrophobicContact CB-CB 4.15Å; D960-F973 PolarHBondContact OD1-N 3.35Å; F971-F973 HydrophobicContact CE1-CB 4.23Å; F973-D975 HydrophobicContact CE1-CB 4.26Å; F973-D975 HydrophobicContact CZ-CB 4.27Å
974	V	94.2	Very high	86.3	Confident	4 Å²	4	53 Å²	53	2%	0.024	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.6	174.4	178.4	0	0	0	0	112.2	V945 V946 G947 H972 F976 V979 F990 E993	V945-V974 PolarHBondContact O-N 2.72Å; V946-V974 CarbonylContact C-O 3.56Å; V946-V974 WeakPolarHBondContact CA-O 3.3Å; G947-V974 PolarHBondContact N-O 3Å; H972-V974 WeakPolarHBondContact NE2-CG2 3.37Å; V974-F976 PolarHBondContact O-N 2.91Å; V974-V979 HydrophobicContact CG1-CG2 3.82Å; V974-F990 HydrophobicContact CG1-CD2 3.96Å; V974-F990 HydrophobicContact CG1-CE2 3.83Å; V974-E993 HydrophobicContact CG1-CB 4.3Å; V974-E993 HydrophobicContact CG1-CG 4.05Å; V974-E993 HydrophobicContact CG2-CB 4.44Å; V974-E993 HydrophobicContact CG2-CG 3.96Å
975	D	94.8	Very high	87.8	Confident	30 Å²	30	51.5 Å²	51.5	16%	0.16	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	102.9	169.1	180	-14	0	0	0	109.4	W953 R957 F973 H977 G978 V979	W953-D975 VanDerWaalsContact NE1-CG 3.34Å; W953-D975 PolarHBondContact NE1-OD1 3.44Å; W953-D975 PolarHBondContact NE1-OD2 3.28Å; R957-D975 IonicContact NH2-OD2 2.78Å; F973-D975 HydrophobicContact CE1-CB 4.26Å; F973-D975 HydrophobicContact CZ-CB 4.27Å; D975-H977 PolarHBondContact O-N 2.67Å; D975-H977 PolarHBondContact OD1-N 3.04Å; D975-G978 PolarHBondContact O-N 3.27Å; D975-G978 PolarHBondContact OD1-N 3.44Å; D975-V979 WeakPolarHBondContact O-CG2 3.42Å; D975-V979 PolarHBondContact O-N 3.49Å; D975-V979 VanDerWaalsContact O-N 3.1Å
976	F	96.4	Very high	89.3	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.009	26%	0.258	C	S	.	.	H	α-helix	trans	-58.1	-46.6	-175.6	174.6	-102.1	0	0	0	111.8	P821 Q824 V825 I828 V946 G947 V948 V974 V980 F990	P821-F976 HydrophobicContact CB-CD1 4.32Å; P821-F976 HydrophobicContact CB-CE1 4.23Å; Q824-F976 HydrophobicContact CB-CE2 4.35Å; Q824-F976 HydrophobicContact CB-CZ 3.8Å; V825-F976 HydrophobicContact CG2-CD2 3.55Å; V825-F976 HydrophobicContact CG2-CE2 3.84Å; V825-F976 HydrophobicContact CG2-CG 4.06Å; I828-F976 HydrophobicContact CD1-CE2 4.28Å; V946-F976 HydrophobicContact CG1-CB 3.92Å; G947-F976 VanDerWaalsContact O-CB 3.23Å; G947-F976 WeakPolarHBondContact O-CB 3.45Å; G947-F976 PolarHBondContact O-N 2.85Å; V948-F976 HydrophobicContact CG1-CB 3.98Å; V948-F976 HydrophobicContact CG1-CD1 4.31Å; V948-F976 HydrophobicContact CG1-CG 4.2Å; V974-F976 PolarHBondContact O-N 2.91Å; F976-V980 HydrophobicContact CD2-CG2 4.12Å; F976-V980 HydrophobicContact CE1-CG2 4.36Å; F976-V980 HydrophobicContact CE2-CG2 3.8Å; F976-V980 HydrophobicContact CZ-CG2 3.92Å; F976-V980 VanDerWaalsContact O-CB 3.27Å; F976-V980 WeakPolarHBondContact O-CB 3.3Å; F976-V980 VanDerWaalsContact O-CG2 3.27Å; F976-V980 WeakPolarHBondContact O-CG2 3.38Å; F976-V980 PolarHBondContact O-N 2.86Å; F976-F990 HydrophobicContact CB-CE2 4.32Å; F976-F990 AromaticContact CD2-CD1 3.87Å; F976-F990 HydrophobicContact CD2-CD1 3.87Å; F976-F990 AromaticContact CD2-CD2 3.7Å; F976-F990 HydrophobicContact CD2-CD2 3.7Å; F976-F990 AromaticContact CD2-CE1 3.89Å; F976-F990 HydrophobicContact CD2-CE1 3.89Å; F976-F990 AromaticContact CD2-CE2 3.72Å; F976-F990 HydrophobicContact CD2-CE2 3.72Å; F976-F990 AromaticContact CD2-CG 3.8Å; F976-F990 HydrophobicContact CD2-CG 3.8Å; F976-F990 AromaticContact CD2-CZ 3.83Å; F976-F990 HydrophobicContact CD2-CZ 3.83Å; F976-F990 AromaticContact CE2-CD1 3.88Å; F976-F990 HydrophobicContact CE2-CD1 3.88Å; F976-F990 HydrophobicContact CE2-CD2 4.43Å; F976-F990 HydrophobicContact CE2-CE1 4.11Å; F976-F990 HydrophobicContact CE2-CG 4.07Å
977	H	94.3	Very high	90.4	Very high	34 Å²	34	44.1 Å²	44.1	16%	0.157	27%	0.267	C	S	.	.	H	α-helix	trans	-72.3	-36.4	-178.1	-66	127.4	0	0	0	111.7	T805 G949 D975 V979 S981	T805-H977 WeakPolarHBondContact CB-CE1 3.47Å; T805-H977 WeakPolarHBondContact CB-ND1 3.29Å; T805-H977 HydrophobicContact CG2-CB 4.2Å; T805-H977 WeakPolarHBondContact CG2-ND1 3.38Å; T805-H977 PolarHBondContact OG1-CE1 3.48Å; T805-H977 PolarHBondContact OG1-ND1 3.2Å; G949-H977 PolarHBondContact N-CE1 3.1Å; G949-H977 PolarHBondContact N-ND1 2.78Å; G949-H977 VanDerWaalsContact N-ND1 3.17Å; G949-H977 PolarHBondContact O-ND1 2.62Å; D975-H977 PolarHBondContact O-N 2.67Å; D975-H977 PolarHBondContact OD1-N 3.04Å; H977-V979 PolarHBondContact O-N 2.8Å; H977-S981 WeakPolarHBondContact O-CB 3.44Å; H977-S981 PolarHBondContact O-N 3.08Å; H977-S981 PolarHBondContact O-OG 3.18Å
978	G	92.4	Very high	91.5	Very high	38 Å²	38	38.3 Å²	38.3	39%	0.392	24%	0.241	S	C	.	.	H	α-helix	trans	-54.3	-51.8	172.2	0	0	0	0	0	112.4	D975 S981	D975-G978 PolarHBondContact O-N 3.27Å; D975-G978 PolarHBondContact OD1-N 3.44Å; G978-S981 PolarHBondContact O-OG 3.31Å
979	V	92.2	Very high	91.9	Very high	30 Å²	30	37.9 Å²	37.9	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-73.4	-36.9	-177.6	-179	0	0	0	0	113.1	V974 D975 H977 A989 F990 E993	V974-V979 HydrophobicContact CG1-CG2 3.82Å; D975-V979 WeakPolarHBondContact O-CG2 3.42Å; D975-V979 PolarHBondContact O-N 3.49Å; D975-V979 VanDerWaalsContact O-N 3.1Å; H977-V979 PolarHBondContact O-N 2.8Å; V979-A989 HydrophobicContact CG1-CB 3.84Å; V979-F990 HydrophobicContact CG1-CB 4.33Å; V979-E993 HydrophobicContact CG1-CB 4.17Å; V979-E993 HydrophobicContact CG2-CB 4.16Å; V979-E993 HydrophobicContact CG2-CG 3.84Å
980	V	92.8	Very high	92.2	Very high	38 Å²	38	35.3 Å²	35.3	23%	0.23	23%	0.227	C	C	.	.	H	α-helix	trans	-74.2	-27.3	179	167.2	0	0	0	0	111.8	F976 G982 P986 F990	F976-V980 HydrophobicContact CD2-CG2 4.12Å; F976-V980 HydrophobicContact CE1-CG2 4.36Å; F976-V980 HydrophobicContact CE2-CG2 3.8Å; F976-V980 HydrophobicContact CZ-CG2 3.92Å; F976-V980 VanDerWaalsContact O-CB 3.27Å; F976-V980 WeakPolarHBondContact O-CB 3.3Å; F976-V980 VanDerWaalsContact O-CG2 3.27Å; F976-V980 WeakPolarHBondContact O-CG2 3.38Å; F976-V980 PolarHBondContact O-N 2.86Å; V980-G982 PolarHBondContact O-N 2.65Å; V980-P986 HydrophobicContact CB-CB 4.3Å; V980-P986 HydrophobicContact CG1-CB 3.86Å; V980-P986 HydrophobicContact CG2-CB 4.22Å; V980-F990 HydrophobicContact CG2-CB 4.14Å
981	S	90.2	Very high	92.4	Very high	86 Å²	86	35.3 Å²	35.3	60%	0.601	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	119.3	179.5	73.2	0	0	0	0	112.4	H977 G978 A983	H977-S981 WeakPolarHBondContact O-CB 3.44Å; H977-S981 PolarHBondContact O-N 3.08Å; H977-S981 PolarHBondContact O-OG 3.18Å; G978-S981 PolarHBondContact O-OG 3.31Å; S981-A983 VanDerWaalsContact C-N 3.3Å; S981-A983 PolarHBondContact O-N 3.24Å
982	G	82.5	Confident	92.4	Very high	84 Å²	84	35.3 Å²	35.3	87%	0.866	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.3	-0.3	174.1	0	0	0	0	0	116.5	V980	V980-G982 PolarHBondContact O-N 2.65Å
983	A	87.7	Confident	92.3	Very high	23 Å²	23	37.3 Å²	37.3	19%	0.19	24%	0.237	C	C	.	.			trans	-79.1	134	176.6	0	0	0	0	0	112.5	S981 K985 A989	S981-A983 VanDerWaalsContact C-N 3.3Å; S981-A983 PolarHBondContact O-N 3.24Å; A983-K985 PolarHBondContact O-N 3.39Å; A983-A989 HydrophobicContact CB-CB 4.03Å
984	D	87.4	Confident	92.3	Very high	148 Å²	148	37 Å²	37	79%	0.791	24%	0.235	S	C	*	.	S	Bend	trans	-59.7	-27.3	175.6	-78.9	-23.9	0	0	0	113.6
985	K	90.8	Very high	92.2	Very high	61 Å²	61	36.8 Å²	36.8	27%	0.265	23%	0.234	S	C	.	.	S	Bend	trans	-136.1	72.3	-176.9	-56.9	177	-164	158.4	0	110.3	V765 S766 L768 A983 E987 S988 A989	V765-K985 HydrophobicContact CG1-CB 3.84Å; V765-K985 HydrophobicContact CG1-CD 4.16Å; V765-K985 HydrophobicContact CG1-CG 4.44Å; V765-K985 PolarHBondContact O-NZ 3.11Å; S766-K985 PolarHBondContact O-NZ 3.38Å; L768-K985 VanDerWaalsContact O-CD 3.25Å; L768-K985 WeakPolarHBondContact O-CD 3.38Å; L768-K985 PolarHBondContact O-NZ 2.82Å; A983-K985 PolarHBondContact O-N 3.39Å; K985-E987 PolarHBondContact O-N 2.94Å; K985-S988 PolarHBondContact O-N 3.38Å; K985-A989 PolarHBondContact O-N 3.39Å
986	P	92.2	Very high	92	Very high	53 Å²	53	36.5 Å²	36.5	34%	0.344	23%	0.232	S	C	.	.	H	α-helix	trans	-60.6	-41.6	-165.9	21.2	-32.4	0	0	0	114	V980 S988 A989 F990	V980-P986 HydrophobicContact CB-CB 4.3Å; V980-P986 HydrophobicContact CG1-CB 3.86Å; V980-P986 HydrophobicContact CG2-CB 4.22Å; P986-S988 VanDerWaalsContact C-N 3.31Å; P986-S988 PolarHBondContact O-N 3.13Å; P986-A989 PolarHBondContact O-N 3.45Å; P986-F990 WeakPolarHBondContact O-CB 3.39Å; P986-F990 PolarHBondContact O-N 3.21Å
987	E	93.4	Very high	91.7	Very high	75 Å²	75	39.7 Å²	39.7	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-60.1	-40.5	176.1	-65.8	-162.4	136.4	0	0	111.8	L771 Q827 I828 K985 A991	L771-E987 HydrophobicContact CD2-CB 4.2Å; L771-E987 WeakPolarHBondContact CD2-O 3.21Å; Q827-E987 PolarHBondContact NE2-OE1 3.06Å; I828-E987 HydrophobicContact CD1-CB 4.25Å; I828-E987 HydrophobicContact CD1-CG 3.9Å; I828-E987 HydrophobicContact CG1-CB 4.14Å; I828-E987 HydrophobicContact CG1-CG 3.88Å; I828-E987 HydrophobicContact CG2-CB 4.44Å; I828-E987 WeakPolarHBondContact CG2-O 3.32Å; K985-E987 PolarHBondContact O-N 2.94Å; E987-A991 WeakPolarHBondContact O-CB 3.42Å; E987-A991 PolarHBondContact O-N 3.49Å
988	S	93.3	Very high	91.6	Very high	9 Å²	9	38.1 Å²	38.1	6%	0.063	24%	0.24	C	C	.	.	H	α-helix	trans	-77.3	-32.1	-178.4	-60.3	0	0	0	0	112.8	K985 P986 L992	K985-S988 PolarHBondContact O-N 3.38Å; P986-S988 VanDerWaalsContact C-N 3.31Å; P986-S988 PolarHBondContact O-N 3.13Å; S988-L992 WeakPolarHBondContact O-CB 3.16Å; S988-L992 PolarHBondContact O-N 3.47Å
989	A	93.5	Very high	91.5	Very high	6 Å²	6	36.3 Å²	36.3	5%	0.05	22%	0.221	C	C	.	.	H	α-helix	trans	-65	-52.2	171.3	0	0	0	0	0	111.4	V765 V979 A983 K985 P986 A991 L992 E993	V765-A989 HydrophobicContact CG1-CB 4.27Å; V765-A989 HydrophobicContact CG2-CB 4.01Å; V979-A989 HydrophobicContact CG1-CB 3.84Å; A983-A989 HydrophobicContact CB-CB 4.03Å; K985-A989 PolarHBondContact O-N 3.39Å; P986-A989 PolarHBondContact O-N 3.45Å; A989-A991 VanDerWaalsContact C-N 3.33Å; A989-A991 PolarHBondContact O-N 3.27Å; A989-L992 PolarHBondContact O-N 2.97Å; A989-E993 WeakPolarHBondContact O-CB 3.21Å; A989-E993 PolarHBondContact O-N 3.15Å
990	F	95.5	Very high	91.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-39.4	178.8	175.8	-113.1	0	0	0	112.6	V825 I828 L829 V946 V974 F976 V979 V980 P986 S994	V825-F990 HydrophobicContact CB-CE1 4.34Å; V825-F990 HydrophobicContact CB-CZ 4.45Å; V825-F990 HydrophobicContact CG1-CE1 4.19Å; V825-F990 HydrophobicContact CG1-CZ 4.04Å; V825-F990 HydrophobicContact CG2-CE1 3.99Å; V825-F990 HydrophobicContact CG2-CZ 3.9Å; I828-F990 HydrophobicContact CB-CD1 4.07Å; I828-F990 HydrophobicContact CB-CE1 4.35Å; I828-F990 HydrophobicContact CD1-CD1 3.9Å; I828-F990 HydrophobicContact CG2-CD1 3.81Å; I828-F990 HydrophobicContact CG2-CE1 4.4Å; L829-F990 HydrophobicContact CD1-CE1 4.2Å; L829-F990 HydrophobicContact CD1-CZ 4.04Å; L829-F990 HydrophobicContact CD2-CE1 3.97Å; L829-F990 HydrophobicContact CD2-CZ 4.32Å; L829-F990 HydrophobicContact CG-CE1 3.84Å; L829-F990 HydrophobicContact CG-CZ 4.19Å; V946-F990 HydrophobicContact CB-CZ 4.4Å; V946-F990 HydrophobicContact CG1-CE2 3.7Å; V946-F990 HydrophobicContact CG1-CZ 3.56Å; V946-F990 HydrophobicContact CG2-CE2 4.34Å; V946-F990 HydrophobicContact CG2-CZ 3.9Å; V974-F990 HydrophobicContact CG1-CD2 3.96Å; V974-F990 HydrophobicContact CG1-CE2 3.83Å; F976-F990 HydrophobicContact CB-CE2 4.32Å; F976-F990 AromaticContact CD2-CD1 3.87Å; F976-F990 HydrophobicContact CD2-CD1 3.87Å; F976-F990 AromaticContact CD2-CD2 3.7Å; F976-F990 HydrophobicContact CD2-CD2 3.7Å; F976-F990 AromaticContact CD2-CE1 3.89Å; F976-F990 HydrophobicContact CD2-CE1 3.89Å; F976-F990 AromaticContact CD2-CE2 3.72Å; F976-F990 HydrophobicContact CD2-CE2 3.72Å; F976-F990 AromaticContact CD2-CG 3.8Å; F976-F990 HydrophobicContact CD2-CG 3.8Å; F976-F990 AromaticContact CD2-CZ 3.83Å; F976-F990 HydrophobicContact CD2-CZ 3.83Å; F976-F990 AromaticContact CE2-CD1 3.88Å; F976-F990 HydrophobicContact CE2-CD1 3.88Å; F976-F990 HydrophobicContact CE2-CD2 4.43Å; F976-F990 HydrophobicContact CE2-CE1 4.11Å; F976-F990 HydrophobicContact CE2-CG 4.07Å; V979-F990 HydrophobicContact CG1-CB 4.33Å; V980-F990 HydrophobicContact CG2-CB 4.14Å; P986-F990 WeakPolarHBondContact O-CB 3.39Å; P986-F990 PolarHBondContact O-N 3.21Å; F990-S994 WeakPolarHBondContact CD2-OG 3.35Å; F990-S994 WeakPolarHBondContact CE2-OG 3.41Å; F990-S994 VanDerWaalsContact CZ-OG 3.28Å; F990-S994 WeakPolarHBondContact CZ-OG 3.23Å; F990-S994 VanDerWaalsContact O-CB 3.25Å; F990-S994 WeakPolarHBondContact O-CB 3.37Å; F990-S994 PolarHBondContact O-N 3.09Å; F990-S994 PolarHBondContact O-OG 3.32Å
991	A	95	Very high	91.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-35.2	175.1	0	0	0	0	0	113.6	L771 V774 I828 T832 E987 A989 L995	L771-A991 HydrophobicContact CD2-CB 3.59Å; V774-A991 HydrophobicContact CG1-CB 4.22Å; I828-A991 HydrophobicContact CG2-CB 3.81Å; T832-A991 HydrophobicContact CG2-CB 4.31Å; E987-A991 WeakPolarHBondContact O-CB 3.42Å; E987-A991 PolarHBondContact O-N 3.49Å; A989-A991 VanDerWaalsContact C-N 3.33Å; A989-A991 PolarHBondContact O-N 3.27Å; A991-L995 WeakPolarHBondContact O-CB 3.21Å; A991-L995 WeakPolarHBondContact O-CD1 3.39Å; A991-L995 VanDerWaalsContact O-CG 3.28Å; A991-L995 WeakPolarHBondContact O-CG 3.28Å
992	L	93	Very high	91.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-76.6	-42.8	178.6	-167.4	67.3	0	0	0	111.7	I752 V761 A764 V765 L768 V774 M778 S988 A989 L995 L996	I752-L992 HydrophobicContact CG2-CD1 3.77Å; V761-L992 HydrophobicContact CG1-CB 4.38Å; V761-L992 HydrophobicContact CG1-CD2 4.22Å; V761-L992 HydrophobicContact CG2-CD2 4.46Å; A764-L992 HydrophobicContact CB-CD2 3.48Å; A764-L992 VanDerWaalsContact CB-CD2 3.48Å; V765-L992 HydrophobicContact CG2-CB 4.35Å; V765-L992 HydrophobicContact CG2-CD2 3.98Å; L768-L992 HydrophobicContact CD1-CD1 4.13Å; L768-L992 HydrophobicContact CD1-CD2 4.12Å; V774-L992 HydrophobicContact CG1-CD1 4.14Å; M778-L992 HydrophobicContact CE-CD1 3.91Å; S988-L992 WeakPolarHBondContact O-CB 3.16Å; S988-L992 PolarHBondContact O-N 3.47Å; A989-L992 PolarHBondContact O-N 2.97Å; L992-L995 PolarHBondContact O-N 3.46Å; L992-L996 PolarHBondContact O-N 3.16Å; L992-L996 VanDerWaalsContact O-N 3.14Å
993	E	92.6	Very high	91.9	Very high	55 Å²	55	31.7 Å²	31.7	26%	0.257	17%	0.17	S	C	.	.	H	α-helix	trans	-62.6	-47.8	177.2	-161.2	78.9	-141.8	0	0	111	V761 H972 V974 V979 A989 L995 L996	V761-E993 VanDerWaalsContact CB-OE2 3.32Å; V761-E993 WeakPolarHBondContact CB-OE2 3.31Å; V761-E993 WeakPolarHBondContact CG1-OE2 3.46Å; V761-E993 WeakPolarHBondContact CG2-OE2 3.41Å; H972-E993 PolarHBondContact NE2-O 3.27Å; V974-E993 HydrophobicContact CG1-CB 4.3Å; V974-E993 HydrophobicContact CG1-CG 4.05Å; V974-E993 HydrophobicContact CG2-CB 4.44Å; V974-E993 HydrophobicContact CG2-CG 3.96Å; V979-E993 HydrophobicContact CG1-CB 4.17Å; V979-E993 HydrophobicContact CG2-CB 4.16Å; V979-E993 HydrophobicContact CG2-CG 3.84Å; A989-E993 WeakPolarHBondContact O-CB 3.21Å; A989-E993 PolarHBondContact O-N 3.15Å; E993-L995 PolarHBondContact O-N 3.1Å; E993-L995 VanDerWaalsContact O-N 3.09Å; E993-L996 VanDerWaalsContact O-CB 3.28Å; E993-L996 WeakPolarHBondContact O-CB 3.3Å; E993-L996 PolarHBondContact O-N 3.44Å
994	S	93.8	Very high	92	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.8	-178.3	-58	0	0	0	0	114.5	I944 F990	I944-S994 WeakPolarHBondContact CD1-O 3.5Å; F990-S994 WeakPolarHBondContact CD2-OG 3.35Å; F990-S994 WeakPolarHBondContact CE2-OG 3.41Å; F990-S994 VanDerWaalsContact CZ-OG 3.28Å; F990-S994 WeakPolarHBondContact CZ-OG 3.23Å; F990-S994 VanDerWaalsContact O-CB 3.25Å; F990-S994 WeakPolarHBondContact O-CB 3.37Å; F990-S994 PolarHBondContact O-N 3.09Å; F990-S994 PolarHBondContact O-OG 3.32Å
995	L	92.9	Very high	92.2	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	8.8	-176.3	-59.9	-178.5	0	0	0	112.2	I752 M778 T832 L833 I944 A991 L992 E993 E997 I998	I752-L995 WeakPolarHBondContact CD1-O 3.49Å; M778-L995 HydrophobicContact CE-CB 3.36Å; M778-L995 HydrophobicContact CE-CD1 4.02Å; M778-L995 HydrophobicContact CE-CG 4.32Å; M778-L995 HydrophobicContact CG-CD1 4.22Å; M778-L995 HydrophobicContact SD-CB 3.76Å; M778-L995 HydrophobicContact SD-CD1 4.35Å; T832-L995 HydrophobicContact CG2-CD1 3.62Å; L833-L995 HydrophobicContact CD1-CD2 4.03Å; L833-L995 HydrophobicContact CD2-CD1 3.87Å; L833-L995 HydrophobicContact CD2-CD2 3.77Å; L833-L995 HydrophobicContact CG-CD1 4.28Å; L833-L995 HydrophobicContact CG-CD2 4.13Å; I944-L995 HydrophobicContact CD1-CD2 3.82Å; A991-L995 WeakPolarHBondContact O-CB 3.21Å; A991-L995 WeakPolarHBondContact O-CD1 3.39Å; A991-L995 VanDerWaalsContact O-CG 3.28Å; A991-L995 WeakPolarHBondContact O-CG 3.28Å; L992-L995 PolarHBondContact O-N 3.46Å; E993-L995 PolarHBondContact O-N 3.1Å; E993-L995 VanDerWaalsContact O-N 3.09Å; L995-E997 VanDerWaalsContact C-N 3.31Å; L995-E997 PolarHBondContact O-N 3.42Å; L995-I998 HydrophobicContact CD2-CG1 4.06Å; L995-I998 PolarHBondContact O-N 2.6Å; L995-I998 VanDerWaalsContact O-N 3.12Å
996	L	90.1	Very high	92.2	Very high	23 Å²	23	29.3 Å²	29.3	12%	0.12	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-40.1	-168.1	-167.6	63.7	0	0	0	113	S750 I752 L753 V761 L992 E993	S750-L996 VanDerWaalsContact CB-O 3.23Å; S750-L996 WeakPolarHBondContact CB-O 3.42Å; S750-L996 VanDerWaalsContact OG-CD1 3.23Å; S750-L996 WeakPolarHBondContact OG-CD1 3.24Å; S750-L996 WeakPolarHBondContact OG-CG 3.24Å; I752-L996 WeakPolarHBondContact CD1-O 3.44Å; I752-L996 HydrophobicContact CG2-CD1 4.45Å; L753-L996 HydrophobicContact CD1-CD1 4.16Å; L753-L996 HydrophobicContact CD2-CD1 4.49Å; L753-L996 HydrophobicContact CG-CD1 3.98Å; V761-L996 HydrophobicContact CG2-CD1 3.87Å; V761-L996 HydrophobicContact CG2-CD2 4.17Å; L992-L996 PolarHBondContact O-N 3.16Å; L992-L996 VanDerWaalsContact O-N 3.14Å; E993-L996 VanDerWaalsContact O-CB 3.28Å; E993-L996 WeakPolarHBondContact O-CB 3.3Å; E993-L996 PolarHBondContact O-N 3.44Å
997	E	89.8	Confident	92.1	Very high	70 Å²	70	30.2 Å²	30.2	33%	0.327	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-16	178.5	-55.8	-151.4	142.3	0	0	114.5	L995 D1000 Q1001	L995-E997 VanDerWaalsContact C-N 3.31Å; L995-E997 PolarHBondContact O-N 3.42Å; E997-D1000 WeakPolarHBondContact O-CA 3.46Å; E997-D1000 WeakPolarHBondContact O-CB 3.19Å; E997-D1000 PolarHBondContact O-N 3.48Å; E997-Q1001 HydrophobicContact CB-CG 3.97Å; E997-Q1001 WeakPolarHBondContact O-CG 3.48Å; E997-Q1001 PolarHBondContact O-N 3.14Å; E997-Q1001 PolarHBondContact OE2-NE2 3.31Å
998	I	93	Very high	91.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-57.8	-38.3	-163.7	-70.3	-66	0	0	0	114.1	L783 I914 I944 L995 Y1002	L783-I998 HydrophobicContact CD1-CG2 4.46Å; L783-I998 HydrophobicContact CD2-CG2 4.31Å; I914-I998 HydrophobicContact CD1-CG2 3.82Å; I944-I998 HydrophobicContact CD1-CD1 3.94Å; I944-I998 HydrophobicContact CD1-CG1 4.09Å; I944-I998 HydrophobicContact CG1-CD1 3.94Å; I944-I998 HydrophobicContact CG1-CG1 4.44Å; L995-I998 HydrophobicContact CD2-CG1 4.06Å; L995-I998 PolarHBondContact O-N 2.6Å; L995-I998 VanDerWaalsContact O-N 3.12Å; I998-Y1002 WeakPolarHBondContact O-CB 3.44Å; I998-Y1002 PolarHBondContact O-N 3.27Å
999	P	91.1	Very high	91.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.7	-32.9	172.5	-22.1	35.5	0	0	0	114.1	I752 M778 A781 T1003	I752-P999 HydrophobicContact CD1-CG 3.86Å; I752-P999 HydrophobicContact CG1-CG 4.06Å; M778-P999 HydrophobicContact SD-CG 4.09Å; A781-P999 HydrophobicContact CB-CB 3.56Å; A781-P999 HydrophobicContact CB-CG 3.6Å; P999-T1003 VanDerWaalsContact O-CB 3.29Å; P999-T1003 WeakPolarHBondContact O-CB 3.07Å; P999-T1003 PolarHBondContact O-N 2.95Å; P999-T1003 PolarHBondContact O-OG1 3.47Å
1000	D	89.9	Confident	91.3	Very high	54 Å²	54	39.1 Å²	39.1	29%	0.289	20%	0.196	S	C	.	.	H	α-helix	trans	-76.2	-41.9	-180	-65.1	-32.1	0	0	0	110.8	S750 S751 E997 T1003 R1004	S750-D1000 WeakPolarHBondContact CA-OD2 3.37Å; S751-D1000 WeakPolarHBondContact CB-OD1 3.31Å; S751-D1000 PolarHBondContact N-OD2 3.33Å; S751-D1000 VanDerWaalsContact OG-CG 3.3Å; S751-D1000 PolarHBondContact OG-OD1 2.92Å; S751-D1000 PolarHBondContact OG-OD2 3.43Å; E997-D1000 WeakPolarHBondContact O-CA 3.46Å; E997-D1000 WeakPolarHBondContact O-CB 3.19Å; E997-D1000 PolarHBondContact O-N 3.48Å; D1000-T1003 PolarHBondContact O-N 3.45Å; D1000-R1004 WeakPolarHBondContact O-CB 3.46Å; D1000-R1004 PolarHBondContact O-N 3.13Å
1001	Q	92.3	Very high	90.7	Very high	5 Å²	5	42.8 Å²	42.8	2%	0.023	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-48.5	169	-63.4	-170.7	3.8	0	0	110.8	S942 W968 D969 E997 T1003 R1004 I1005	S942-Q1001 PolarHBondContact OG-OE1 2.87Å; W968-Q1001 HydrophobicContact CZ3-CB 4.26Å; D969-Q1001 WeakPolarHBondContact O-CG 3.31Å; E997-Q1001 HydrophobicContact CB-CG 3.97Å; E997-Q1001 WeakPolarHBondContact O-CG 3.48Å; E997-Q1001 PolarHBondContact O-N 3.14Å; E997-Q1001 PolarHBondContact OE2-NE2 3.31Å; Q1001-T1003 PolarHBondContact O-N 3.07Å; Q1001-R1004 WeakPolarHBondContact O-CA 3.47Å; Q1001-R1004 WeakPolarHBondContact O-CB 3.3Å; Q1001-R1004 PolarHBondContact O-N 3.37Å; Q1001-I1005 VanDerWaalsContact O-CG1 3.3Å; Q1001-I1005 WeakPolarHBondContact O-CG1 3.49Å; Q1001-I1005 PolarHBondContact O-N 2.94Å
1002	Y	91.8	Very high	90.5	Very high	8 Å²	8	44.9 Å²	44.9	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-59	-42.7	176.2	-179.5	-114.4	0	0	0	113.1	G782 L783 E784 Y912 I998 R1004 I1005 K1006 L1011	G782-Y1002 WeakPolarHBondContact O-CD1 3.08Å; G782-Y1002 WeakPolarHBondContact O-CE1 3.21Å; L783-Y1002 HydrophobicContact CD1-CD1 4.27Å; L783-Y1002 HydrophobicContact CD1-CD2 4.36Å; L783-Y1002 HydrophobicContact CD1-CG 4.14Å; E784-Y1002 HydrophobicContact CB-CE1 4.47Å; E784-Y1002 PolarHBondContact OE2-OH 2.92Å; Y912-Y1002 AromaticContact CD1-CD2 3.27Å; Y912-Y1002 HydrophobicContact CD1-CD2 3.27Å; Y912-Y1002 AromaticContact CD1-CE2 3.59Å; Y912-Y1002 HydrophobicContact CD1-CE2 3.59Å; Y912-Y1002 HydrophobicContact CD1-CG 4.24Å; Y912-Y1002 HydrophobicContact CD2-CD2 4.09Å; Y912-Y1002 AromaticContact CE1-CD2 3.53Å; Y912-Y1002 HydrophobicContact CE1-CD2 3.53Å; Y912-Y1002 HydrophobicContact CE1-CE2 4.28Å; Y912-Y1002 HydrophobicContact CE1-CG 4.11Å; Y912-Y1002 HydrophobicContact CE2-CD2 4.33Å; Y912-Y1002 AromaticContact CG-CD2 3.58Å; Y912-Y1002 HydrophobicContact CG-CD2 3.58Å; Y912-Y1002 AromaticContact CG-CE2 3.78Å; Y912-Y1002 HydrophobicContact CG-CE2 3.78Å; I998-Y1002 WeakPolarHBondContact O-CB 3.44Å; I998-Y1002 PolarHBondContact O-N 3.27Å; Y1002-R1004 VanDerWaalsContact C-N 3.3Å; Y1002-R1004 PolarHBondContact O-N 3.12Å; Y1002-I1005 PolarHBondContact O-N 3.38Å; Y1002-K1006 HydrophobicContact CE1-CD 4.1Å; Y1002-K1006 VanDerWaalsContact CZ-CE 3.45Å; Y1002-K1006 PolarHBondContact O-N 3.11Å; Y1002-K1006 VanDerWaalsContact O-N 3.09Å; Y1002-K1006 VanDerWaalsContact OH-CE 3.23Å; Y1002-K1006 WeakPolarHBondContact OH-CE 3.44Å; Y1002-K1006 PolarHBondContact OH-NZ 3.23Å; Y1002-K1006 VanDerWaalsContact OH-NZ 3.11Å; Y1002-L1011 HydrophobicContact CD2-CD1 3.92Å; Y1002-L1011 HydrophobicContact CE2-CD1 3.52Å
1003	T	90.4	Very high	90.4	Very high	75 Å²	75	47.3 Å²	47.3	46%	0.46	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-36.9	174.8	-62.9	0	0	0	0	111.5	P999 D1000 Q1001 K1006 A1007	P999-T1003 VanDerWaalsContact O-CB 3.29Å; P999-T1003 WeakPolarHBondContact O-CB 3.07Å; P999-T1003 PolarHBondContact O-N 2.95Å; P999-T1003 PolarHBondContact O-OG1 3.47Å; D1000-T1003 PolarHBondContact O-N 3.45Å; Q1001-T1003 PolarHBondContact O-N 3.07Å; T1003-K1006 PolarHBondContact O-N 3.14Å; T1003-A1007 WeakPolarHBondContact O-CB 3.45Å; T1003-A1007 PolarHBondContact O-N 2.91Å
1004	R	90.6	Very high	90.3	Very high	107 Å²	107	46.8 Å²	46.8	40%	0.404	24%	0.237	S	C	.	.	H	α-helix	trans	-71	-39.7	177.2	-177.8	53	171.8	158.9	5.6	112.7	E967 W968 D1000 Q1001 Y1002 A1007 L1008	E967-R1004 PolarHBondContact O-NH2 2.78Å; W968-R1004 HydrophobicContact CB-CG 3.5Å; W968-R1004 HydrophobicContact CD2-CG 4.14Å; W968-R1004 HydrophobicContact CE3-CB 4.36Å; W968-R1004 HydrophobicContact CE3-CG 3.99Å; W968-R1004 HydrophobicContact CG-CG 3.97Å; D1000-R1004 WeakPolarHBondContact O-CB 3.46Å; D1000-R1004 PolarHBondContact O-N 3.13Å; Q1001-R1004 WeakPolarHBondContact O-CA 3.47Å; Q1001-R1004 WeakPolarHBondContact O-CB 3.3Å; Q1001-R1004 PolarHBondContact O-N 3.37Å; Y1002-R1004 VanDerWaalsContact C-N 3.3Å; Y1002-R1004 PolarHBondContact O-N 3.12Å; R1004-A1007 PolarHBondContact O-N 2.97Å; R1004-L1008 HydrophobicContact CG-CD1 4.23Å; R1004-L1008 WeakPolarHBondContact O-CG 3.4Å; R1004-L1008 PolarHBondContact O-N 3.18Å
1005	I	91.3	Very high	90.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-47.2	171.7	-67.2	167.1	0	0	0	110.4	Y912 P940 W968 Q1001 Y1002 L1008 K1009 L1010 L1011	Y912-I1005 HydrophobicContact CD2-CD1 3.72Å; Y912-I1005 HydrophobicContact CE2-CD1 3.34Å; P940-I1005 HydrophobicContact CB-CG2 3.76Å; W968-I1005 HydrophobicContact CE3-CG1 4.18Å; W968-I1005 HydrophobicContact CH2-CD1 3.5Å; W968-I1005 HydrophobicContact CH2-CG1 3.22Å; W968-I1005 HydrophobicContact CZ2-CD1 4.44Å; W968-I1005 HydrophobicContact CZ2-CG1 3.82Å; W968-I1005 HydrophobicContact CZ3-CD1 3.78Å; W968-I1005 HydrophobicContact CZ3-CG1 3.41Å; W968-I1005 VanDerWaalsContact CZ3-CG1 3.41Å; Q1001-I1005 VanDerWaalsContact O-CG1 3.3Å; Q1001-I1005 WeakPolarHBondContact O-CG1 3.49Å; Q1001-I1005 PolarHBondContact O-N 2.94Å; Y1002-I1005 PolarHBondContact O-N 3.38Å; I1005-L1008 PolarHBondContact O-N 3.12Å; I1005-K1009 PolarHBondContact O-N 3.4Å; I1005-L1010 HydrophobicContact CG2-CB 3.71Å; I1005-L1010 PolarHBondContact O-N 2.66Å; I1005-L1010 VanDerWaalsContact O-N 3.15Å; I1005-L1011 HydrophobicContact CB-CD1 4.28Å; I1005-L1011 HydrophobicContact CG2-CB 4.43Å; I1005-L1011 HydrophobicContact CG2-CD1 3.5Å; I1005-L1011 VanDerWaalsContact CG2-CD1 3.5Å; I1005-L1011 HydrophobicContact CG2-CG 3.61Å
1006	K	90.1	Very high	89.9	Confident	74 Å²	74	52.6 Å²	52.6	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-59.8	-45	173.1	-78.6	-178	166.1	174.1	0	112.4	E784 Y1002 T1003 L1008 K1009 L1011	E784-K1006 IonicContact OE1-NZ 3.68Å; E784-K1006 PolarHBondContact OE1-NZ 3.08Å; E784-K1006 IonicContact OE2-NZ 3.65Å; E784-K1006 PolarHBondContact OE2-NZ 3.39Å; Y1002-K1006 HydrophobicContact CE1-CD 4.1Å; Y1002-K1006 VanDerWaalsContact CZ-CE 3.45Å; Y1002-K1006 PolarHBondContact O-N 3.11Å; Y1002-K1006 VanDerWaalsContact O-N 3.09Å; Y1002-K1006 VanDerWaalsContact OH-CE 3.23Å; Y1002-K1006 WeakPolarHBondContact OH-CE 3.44Å; Y1002-K1006 PolarHBondContact OH-NZ 3.23Å; Y1002-K1006 VanDerWaalsContact OH-NZ 3.11Å; T1003-K1006 PolarHBondContact O-N 3.14Å; K1006-L1008 PolarHBondContact O-N 3.44Å; K1006-K1009 PolarHBondContact O-N 2.67Å; K1006-L1011 HydrophobicContact CG-CB 4.34Å; K1006-L1011 HydrophobicContact CG-CD1 3.92Å
1007	A	90.5	Very high	89.9	Confident	72 Å²	72	54.6 Å²	54.6	60%	0.595	28%	0.276	S	S	*	.	H	α-helix	trans	-63.6	-28.1	178.3	0	0	0	0	0	113.3	T1003 R1004	T1003-A1007 WeakPolarHBondContact O-CB 3.45Å; T1003-A1007 PolarHBondContact O-N 2.91Å; R1004-A1007 PolarHBondContact O-N 2.97Å
1008	L	89.3	Confident	89.9	Confident	54 Å²	54	53.5 Å²	53.5	28%	0.283	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.7	175	-69	170	0	0	0	113.9	W968 R1004 I1005 K1006 L1010	W968-L1008 HydrophobicContact CB-CD1 4.11Å; W968-L1008 HydrophobicContact CD2-CD1 4.07Å; W968-L1008 HydrophobicContact CG-CD1 3.53Å; R1004-L1008 HydrophobicContact CG-CD1 4.23Å; R1004-L1008 WeakPolarHBondContact O-CG 3.4Å; R1004-L1008 PolarHBondContact O-N 3.18Å; I1005-L1008 PolarHBondContact O-N 3.12Å; K1006-L1008 PolarHBondContact O-N 3.44Å; L1008-L1010 VanDerWaalsContact C-N 3.27Å; L1008-L1010 HydrophobicContact CB-CD1 4.29Å; L1008-L1010 HydrophobicContact CB-CG 4.09Å; L1008-L1010 HydrophobicContact CD1-CD1 4.47Å; L1008-L1010 PolarHBondContact O-N 3.41Å
1009	K	88.7	Confident	89.7	Confident	180 Å²	180	57.6 Å²	57.6	78%	0.783	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	37.2	-175.9	-51.5	178.9	-177.4	177.6	0	113.3	I1005 K1006 L1011	I1005-K1009 PolarHBondContact O-N 3.4Å; K1006-K1009 PolarHBondContact O-N 2.67Å; K1009-L1011 VanDerWaalsContact C-N 3.25Å
1010	L	85.8	Confident	89.5	Confident	43 Å²	43	62.4 Å²	62.4	23%	0.225	32%	0.318	C	S	.	.			trans	-84.6	-4.6	167.8	-63.2	178.2	0	0	0	112	T910 P940 W968 I1005 L1008	T910-L1010 WeakPolarHBondContact CG2-O 3.4Å; P940-L1010 WeakPolarHBondContact CB-O 3.45Å; P940-L1010 WeakPolarHBondContact CG-O 3.36Å; W968-L1010 HydrophobicContact CZ2-CD1 4.15Å; I1005-L1010 HydrophobicContact CG2-CB 3.71Å; I1005-L1010 PolarHBondContact O-N 2.66Å; I1005-L1010 VanDerWaalsContact O-N 3.15Å; L1008-L1010 VanDerWaalsContact C-N 3.27Å; L1008-L1010 HydrophobicContact CB-CD1 4.29Å; L1008-L1010 HydrophobicContact CB-CG 4.09Å; L1008-L1010 HydrophobicContact CD1-CD1 4.47Å; L1008-L1010 PolarHBondContact O-N 3.41Å
1011	L	83.8	Confident	89.5	Confident	77 Å²	77	63.2 Å²	63.2	40%	0.403	32%	0.321	S	S	.	.			trans	-125.3	0	170	-73.5	164.6	0	0	0	109	T910 P940 Y1002 I1005 K1006 K1009	T910-L1011 HydrophobicContact CG2-CD2 4.3Å; T910-L1011 WeakPolarHBondContact O-CD2 3.4Å; P940-L1011 HydrophobicContact CB-CD2 3.76Å; P940-L1011 HydrophobicContact CB-CG 3.86Å; P940-L1011 HydrophobicContact CG-CD2 4.4Å; Y1002-L1011 HydrophobicContact CD2-CD1 3.92Å; Y1002-L1011 HydrophobicContact CE2-CD1 3.52Å; I1005-L1011 HydrophobicContact CB-CD1 4.28Å; I1005-L1011 HydrophobicContact CG2-CB 4.43Å; I1005-L1011 HydrophobicContact CG2-CD1 3.5Å; I1005-L1011 VanDerWaalsContact CG2-CD1 3.5Å; I1005-L1011 HydrophobicContact CG2-CG 3.61Å; K1006-L1011 HydrophobicContact CG-CB 4.34Å; K1006-L1011 HydrophobicContact CG-CD1 3.92Å; K1009-L1011 VanDerWaalsContact C-N 3.25Å

Retrieved 1,011 of 1,011 residues in 309.5 ms (Link to these results)

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