A0A3Q0KT36_SCHMA Loading...

Putative goodpasture antigen-binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KT36, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,026 aa.

						>A0A3Q0KT36_SCHMA|A0A3Q0KT36
MHHNIPTSTCGSSPMTSLPNTSNTHTTSSCMAKAIQSSSQENISAIGISDDDDAGLLDGELWAPLAVRGYLSKWTNLLHGWQERYFVLSDGFLTYYRNSDDLNLGSRGSVRIKNAYIKIHEYDECRFEVRAGDVIWYLRGLSQEERYTWISAIERHRIAESGYGSEKTIHHHSSLLSLNSTHSPSIHSTSSFKRNYGIKEKLAEMETFKEILCKQVDSLQAYFDACSAIVQHGGHDNLERWLTTTTSETHSTRSSSSSCSSPSYYSKDETMDYTVTPDDDDDDEGLQSERRHCKQKICKSVNANTNNDNKSTNVDKMTSDQWPIVGDSSSETLSTLPSTNVNSKSTVRQSDSSTYPHKTTDQQSIVTDKDSNNAPRTGGGFFSRFLSFRNFGNAQTIQTVVETDNIDIKDATTNDNTTQHIDVKEISQYQPSSRFNDLRRILQQHGGHAMDFKGEAHMFKAITTGILTNLSHCIDIMQQHEENWRKRLEREIERRRRLEETQKAMIQELLQLRSLIGLSTSITTTTTTTTTATSHSQQIQHHYLPSHGRFFSYGNSLDFKHFSLDNFKESMSKCNTIIGNNVVNSGDNVNGVNDNILRLVGPDYEERLNSPMHEEEFFDAIDTELDKMEQNEVRLAALKSASEAIRWARAMPFNHPLYNELDKVVKMHMKNFASTRIFDYSSKLCSTSNSLSSSSSSSNVTLSSNAYDDIHSQEDYGNSKIDSSSYGIPENWRIVVQEGDMIIFRRELVSDDGVVLDPLQAIHVVHGVTAREMCTYFWDVRYRMEWEFTVDHPPAVLEVCGDDTVVTHQVYKRVWPTTQRDSLFWSHICPVNPVQTNTSPKLTHRSSISSDSQHDIHQNKVHQRSASMGTSLTSKESSYSQSPDYSCKESSNPSKPSSNHNNSNILDGWMVVNMSTNYLSDKIPPSSSPTIRLGLEVVLYCQTEVTSSSSSSSSSETSVTSSSSNDLSKLSRNQLCTRLIYMANINPGGWVPASGLRSLAQREYPRFLKRFSTYVKEQTHNKLPLF
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32	Very low	35.3	Very low	250 Å²	250	139.7 Å²	139.7	100%	1.232	81%	0.807	S	S	*	*				0	170.6	0	-74.5	178.4	170.6	0	0	108.8
2	H	33	Very low	35.3	Very low	164 Å²	164	137.6 Å²	137.6	76%	0.759	81%	0.807	S	S	*	*			trans	-88.3	155.9	-158.8	-87.7	-103.9	0	0	0	116.7
3	H	33.7	Very low	35.1	Very low	150 Å²	150	135.5 Å²	135.5	69%	0.694	80%	0.804	S	S	*	*			trans	50.2	115.1	146.5	-61.5	-47.1	0	0	0	122.8
4	N	35.7	Very low	35.6	Very low	135 Å²	135	133.7 Å²	133.7	72%	0.722	80%	0.798	S	S	*	*				33.6	125.1	105.4	-61.9	11.4	0	0	0	121
5	I	39.1	Very low	35.4	Very low	144 Å²	144	135.6 Å²	135.6	74%	0.738	80%	0.798	S	S	*	*				20.4	142.2	129.9	-12.7	176.6	0	0	0	119.9
6	P	38.4	Very low	35.3	Very low	126 Å²	126	135.4 Å²	135.4	82%	0.818	80%	0.799	S	S	*	*				-139.2	162.7	118.3	38.9	-28.8	0	0	0	116.1
7	T	35.6	Very low	35.3	Very low	135 Å²	135	134.5 Å²	134.5	83%	0.828	80%	0.801	S	S	*	*			trans	-132.8	157.8	171.8	50.1	0	0	0	0	111.5
8	S	38	Very low	34.9	Very low	115 Å²	115	135.9 Å²	135.9	80%	0.804	80%	0.803	S	S	*	*			trans	-172.8	169.5	179.3	69	0	0	0	0	108.8
9	T	36.2	Very low	35	Very low	129 Å²	129	134.8 Å²	134.8	79%	0.791	80%	0.8	S	S	*	*			cis	-168.3	151.4	-17.6	-103.3	0	0	0	0	106.2
10	C	29.3	Very low	34.8	Very low	128 Å²	128	135.4 Å²	135.4	87%	0.865	80%	0.799	S	S	*	*			cis	127.5	127.9	-0.8	-171.1	0	0	0	0	111.5
11	G	36.9	Very low	34.8	Very low	61 Å²	61	134.8 Å²	134.8	63%	0.629	80%	0.797	S	S	*	*			trans	137.4	121.7	-175.4	0	0	0	0	0	110.7
12	S	36.3	Very low	34.8	Very low	114 Å²	114	128.1 Å²	128.1	80%	0.797	78%	0.775	S	S	*	*				105.7	111.3	52.9	-77.8	0	0	0	0	110
13	S	31.8	Very low	34.5	Very low	110 Å²	110	128 Å²	128	77%	0.769	78%	0.78	S	S	*	*				98.6	160.5	66.5	-75.3	0	0	0	0	112.6
14	P	42.3	Very low	34.4	Very low	111 Å²	111	127.3 Å²	127.3	72%	0.721	79%	0.786	S	S	*	*			cis	-149.7	-173	-31.5	42.8	-23.5	0	0	0	117.4
15	M	32.9	Very low	34.1	Very low	162 Å²	162	130.2 Å²	130.2	80%	0.798	80%	0.795	S	S	*	*			trans	88.2	150.8	141.8	-76.3	-95.4	94.5	0	0	125.5
16	T	34.4	Very low	33.7	Very low	133 Å²	133	129.4 Å²	129.4	82%	0.816	80%	0.797	S	S	*	*			trans	73.5	141.5	171.3	63.4	0	0	0	0	118.9
17	S	34.8	Very low	33.4	Very low	120 Å²	120	129.5 Å²	129.5	84%	0.839	80%	0.796	S	S	*	*			cis	-153.5	162.2	-4.7	49.4	0	0	0	0	113.5
18	L	28.3	Very low	33.1	Very low	160 Å²	160	129.4 Å²	129.4	84%	0.838	80%	0.801	S	S	*	*			trans	-92.5	160	-176.5	-100.2	157.9	0	0	0	113.6
19	P	36.7	Very low	32.7	Very low	114 Å²	114	128.6 Å²	128.6	74%	0.74	80%	0.795	S	S	*	*				-152.9	166.6	83.5	40.6	-21.2	0	0	0	119
20	N	30.4	Very low	32.3	Very low	146 Å²	146	127.9 Å²	127.9	78%	0.781	79%	0.794	S	S	*	*			trans	9.9	141.7	154.4	-53.5	-10.8	0	0	0	120.1
21	T	34.7	Very low	32.3	Very low	124 Å²	124	131.3 Å²	131.3	76%	0.761	80%	0.8	S	S	*	*				-159.6	167.5	55.9	45.9	0	0	0	0	115.9
22	S	31.7	Very low	31.9	Very low	110 Å²	110	132.8 Å²	132.8	77%	0.769	81%	0.806	S	S	*	*			trans	68	124.7	156.4	51.1	0	0	0	0	120.5
23	N	28.4	Very low	31.7	Very low	162 Å²	162	137 Å²	137	87%	0.866	81%	0.81	S	S	*	*			trans	-96.5	149.2	171.8	-56.9	-32.7	0	0	0	111.5
24	T	30.3	Very low	31.6	Very low	134 Å²	134	136.6 Å²	136.6	82%	0.822	81%	0.813	S	S	*	*			trans	-163.5	136.6	136.6	21.3	0	0	0	0	110.4
25	H	29.2	Very low	31	Very low	196 Å²	196	138.1 Å²	138.1	91%	0.907	81%	0.814	S	S	*	*			trans	-90.6	131.6	158.4	-76.8	-103.5	0	0	0	108.7
26	T	31.8	Very low	31	Very low	128 Å²	128	139.2 Å²	139.2	79%	0.785	82%	0.817	S	S	*	*			trans	-148.1	142.8	161.2	-24.9	0	0	0	0	111.4
27	T	31.3	Very low	30.9	Very low	127 Å²	127	137.8 Å²	137.8	78%	0.779	81%	0.812	S	S	*	*			trans	-74.6	148.7	174.1	43.5	0	0	0	0	111.7	S29	T27-S29 PolarHBondContact O-N 3.37Å
28	S	30.4	Very low	30.6	Very low	134 Å²	134	137.1 Å²	137.1	94%	0.937	81%	0.808	S	S	*	*			trans	-76.8	117	173.9	-173.8	0	0	0	0	110.5
29	S	29.5	Very low	30.9	Very low	97 Å²	97	135 Å²	135	68%	0.678	81%	0.806	S	S	*	*			trans	-150.7	144.1	170.4	-171.7	0	0	0	0	110.9	T27	T27-S29 PolarHBondContact O-N 3.37Å
30	C	26.4	Very low	30.6	Very low	114 Å²	114	137.4 Å²	137.4	77%	0.77	81%	0.808	S	S	*	*			trans	44.5	128.2	167.1	72.7	0	0	0	0	120.8
31	M	30	Very low	30.8	Very low	201 Å²	201	139 Å²	139	99%	0.99	81%	0.81	S	S	*	*			trans	-129.1	113.7	136.5	-85	-149.3	179	0	0	109.3
32	A	29	Very low	30.6	Very low	92 Å²	92	139.6 Å²	139.6	76%	0.76	81%	0.809	S	S	*	*			trans	-113.1	123.1	167.8	0	0	0	0	0	108.7
33	K	31.1	Very low	30.7	Very low	202 Å²	202	142.4 Å²	142.4	88%	0.878	81%	0.813	S	S	*	*			trans	-168.7	105.4	165.3	-114.6	167.3	-174.2	175.9	0	112.3
34	A	30.1	Very low	30.7	Very low	102 Å²	102	139.6 Å²	139.6	84%	0.843	81%	0.806	S	S	*	*			trans	-145.3	142.9	152.2	0	0	0	0	0	106.7
35	I	29.9	Very low	30.7	Very low	142 Å²	142	137.8 Å²	137.8	73%	0.728	81%	0.805	S	S	*	*			trans	-136.4	156.5	-171.7	-57.7	177.2	0	0	0	107.6
36	Q	32.4	Very low	31	Very low	186 Å²	186	137 Å²	137	87%	0.869	81%	0.806	S	S	*	*			trans	84.8	133.2	-175.3	-50.4	168.3	12.2	0	0	111.9
37	S	32.2	Very low	31	Very low	102 Å²	102	133.8 Å²	133.8	71%	0.713	80%	0.798	S	S	*	*			cis	-156.5	156.6	3.7	53.8	0	0	0	0	112.6
38	S	29.5	Very low	31	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	80%	0.803	S	S	*	*			trans	58.4	136.9	150.9	59.6	0	0	0	0	119.2
39	S	33.8	Very low	31.2	Very low	115 Å²	115	134.9 Å²	134.9	80%	0.804	80%	0.795	S	S	*	*			cis	-147.6	175.9	24.1	-63.6	0	0	0	0	113.7
40	Q	30.6	Very low	31.5	Very low	166 Å²	166	136.9 Å²	136.9	78%	0.776	80%	0.798	S	S	*	*			trans	-62.9	170	170.1	-67.3	148.4	-69.1	0	0	112.1
41	E	35.3	Very low	32.3	Very low	180 Å²	180	138.9 Å²	138.9	84%	0.841	80%	0.802	S	S	*	*			cis	-135.2	143.9	30.8	-69.2	173.4	144.7	0	0	111.2
42	N	29.1	Very low	32.7	Very low	135 Å²	135	137.2 Å²	137.2	72%	0.722	80%	0.797	S	S	*	*				53.4	139.2	77.1	-68.6	-14.4	0	0	0	113.4
43	I	34.3	Very low	33.2	Very low	169 Å²	169	140.9 Å²	140.9	87%	0.867	80%	0.804	S	S	*	*			cis	-134.4	156.4	31	-67.2	169.2	0	0	0	112.2
44	S	29.1	Very low	33.4	Very low	103 Å²	103	135.9 Å²	135.9	72%	0.72	80%	0.8	S	S	*	*			trans	-104	146.8	-178.9	57.4	0	0	0	0	115.5
45	A	30.6	Very low	33.5	Very low	96 Å²	96	134.5 Å²	134.5	79%	0.793	80%	0.796	S	S	*	*			trans	15.8	128.3	148.8	0	0	0	0	0	121.8
46	I	34.2	Very low	33.8	Very low	181 Å²	181	136 Å²	136	93%	0.928	80%	0.804	S	S	*	*			trans	-134.4	156.2	145.2	-82.6	173	0	0	0	106.6
47	G	31.2	Very low	33.8	Very low	60 Å²	60	134.9 Å²	134.9	62%	0.619	80%	0.803	S	S	*	*			trans	-158.6	-178.6	174.2	0	0	0	0	0	113.7
48	I	31.6	Very low	33.8	Very low	171 Å²	171	138.1 Å²	138.1	88%	0.877	81%	0.813	S	S	*	*			trans	67.5	96.6	175	-44.7	175.4	0	0	0	115.6
49	S	35.5	Very low	34	Very low	112 Å²	112	137 Å²	137	78%	0.783	82%	0.817	S	S	*	*				-151.3	141	129.2	60	0	0	0	0	108.7
50	D	36.2	Very low	34.1	Very low	139 Å²	139	140 Å²	140	74%	0.743	82%	0.819	S	S	*	*			trans	-72.6	156.4	178.2	-46.8	-91.9	0	0	0	112
51	D	43.5	Very low	34.5	Very low	157 Å²	157	140 Å²	140	84%	0.84	82%	0.823	S	S	*	*			trans	158.9	114.3	138.3	-81.5	-13.6	0	0	0	111.4
52	D	38	Very low	34.8	Very low	165 Å²	165	142.8 Å²	142.8	88%	0.882	83%	0.826	S	S	*	*			trans	16.4	101.2	157	-58.5	-21.2	0	0	0	121.2
53	D	40	Very low	35.5	Very low	170 Å²	170	139.4 Å²	139.4	91%	0.909	82%	0.817	S	S	*	*			trans	-148.8	152.1	130.8	-156.9	-2.2	0	0	0	111
54	A	33.9	Very low	36.4	Very low	97 Å²	97	134 Å²	134	80%	0.802	79%	0.793	S	S	*	*			trans	-123.8	104.5	-162.9	0	0	0	0	0	114.1
55	G	33.5	Very low	37.7	Very low	73 Å²	73	136 Å²	136	75%	0.753	80%	0.795	S	S	*	*			trans	133.4	97.8	152.1	0	0	0	0	0	116.4
56	L	35.5	Very low	39.4	Very low	173 Å²	173	133.9 Å²	133.9	91%	0.906	78%	0.778	S	S	*	*			trans	-168.6	96.1	143.8	-108.2	161.1	0	0	0	111.1
57	L	31.7	Very low	41.8	Very low	162 Å²	162	126.9 Å²	126.9	85%	0.848	74%	0.743	S	S	*	*			trans	-126.9	171.3	160.4	-76.6	172.2	0	0	0	108
58	D	31.7	Very low	44.6	Very low	171 Å²	171	130.8 Å²	130.8	91%	0.914	74%	0.739	S	S	*	*			trans	80	39.5	-177.4	-57.4	-15.4	0	0	0	117.4
59	G	34.9	Very low	47.3	Very low	81 Å²	81	123.3 Å²	123.3	84%	0.835	70%	0.704	S	S	*	*	S	Bend	trans	-97.9	-31	175.4	0	0	0	0	0	117.6
60	E	36.1	Very low	50	Low	179 Å²	179	121.6 Å²	121.6	84%	0.836	68%	0.681	S	S	*	*	S	Bend	trans	-124.1	0.2	-148.4	-156.8	158.3	-155.4	0	0	116.1	W62	E60-W62 VanDerWaalsContact C-N 3.29Å; E60-W62 PolarHBondContact O-N 3.04Å
61	L	39	Very low	52.6	Low	165 Å²	165	115.2 Å²	115.2	86%	0.864	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-6.8	-169.5	-149.8	76.9	0	0	0	115.9
62	W	42.3	Very low	54.8	Low	239 Å²	239	109.3 Å²	109.3	91%	0.905	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	5.5	-168.5	-68.3	85	0	0	0	115	E60	E60-W62 VanDerWaalsContact C-N 3.29Å; E60-W62 PolarHBondContact O-N 3.04Å
63	A	43.3	Very low	57.4	Low	65 Å²	65	102.6 Å²	102.6	54%	0.537	58%	0.581	S	S	.	*	S	Bend	trans	-67.3	133.4	176.8	0	0	0	0	0	111.6	L65	A63-L65 PolarHBondContact O-N 3.07Å
64	P	53.1	Low	59.6	Low	56 Å²	56	95.4 Å²	95.4	36%	0.364	54%	0.541	S	S	.	.			trans	-65	101.1	175	-23.7	35.4	0	0	0	112	A66 H156 A159	P64-A66 PolarHBondContact O-N 3.1Å; P64-H156 VanDerWaalsContact CB-CE1 3.48Å; P64-H156 WeakPolarHBondContact CB-CE1 3.32Å; P64-A159 HydrophobicContact CG-CB 3.62Å
65	L	55.1	Low	61.9	Low	144 Å²	144	93.3 Å²	93.3	75%	0.754	52%	0.518	S	S	*	.			trans	-65.8	116.5	177.7	-67	175.3	0	0	0	110.8	A63 V67	A63-L65 PolarHBondContact O-N 3.07Å; L65-V67 PolarHBondContact O-N 3.19Å; L65-V67 VanDerWaalsContact O-N 3.1Å
66	A	67.2	Low	63.9	Low	52 Å²	52	93.2 Å²	93.2	43%	0.43	50%	0.501	S	S	.	.			trans	-67.6	104.6	-178.4	0	0	0	0	0	111.9	P64 L88	P64-A66 PolarHBondContact O-N 3.1Å; A66-L88 CarbonylContact C-O 3.58Å; A66-L88 WeakPolarHBondContact CA-O 3.47Å; A66-L88 VanDerWaalsContact CB-O 3.32Å; A66-L88 WeakPolarHBondContact CB-O 3.5Å
67	V	84.9	Confident	65.3	Low	34 Å²	34	90.1 Å²	90.1	21%	0.206	49%	0.485	C	S	.	.			trans	-81.4	135.3	-179.6	175.8	0	0	0	0	111.1	L65 L88 W149 A152	L65-V67 PolarHBondContact O-N 3.19Å; L65-V67 VanDerWaalsContact O-N 3.1Å; V67-L88 PolarHBondContact N-O 2.66Å; V67-L88 PolarHBondContact O-N 2.98Å; V67-W149 HydrophobicContact CB-CZ3 4.33Å; V67-W149 HydrophobicContact CG1-CD2 4.06Å; V67-W149 HydrophobicContact CG1-CE3 3.98Å; V67-W149 HydrophobicContact CG1-CH2 3.86Å; V67-W149 HydrophobicContact CG1-CZ2 3.96Å; V67-W149 HydrophobicContact CG1-CZ3 3.87Å; V67-A152 HydrophobicContact CB-CB 4.03Å; V67-A152 HydrophobicContact CG2-CB 3.49Å; V67-A152 VanDerWaalsContact CG2-CB 3.49Å
68	R	89.8	Confident	66.8	Low	142 Å²	142	89.7 Å²	89.7	54%	0.536	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.1	178.6	-50.9	-173.5	179	173.8	-0.7	110.1	Y85 F86 V87	R68-Y85 WeakPolarHBondContact CB-OH 3.42Å; R68-F86 VanDerWaalsContact CA-O 3.31Å; R68-F86 WeakPolarHBondContact CA-O 3.2Å; R68-V87 HydrophobicContact CB-CG2 4.41Å; R68-V87 HydrophobicContact CG-CB 4.37Å; R68-V87 HydrophobicContact CG-CG1 4.1Å; R68-V87 HydrophobicContact CG-CG2 4.03Å
69	G	89.1	Confident	68.7	Low	14 Å²	14	86.7 Å²	86.7	14%	0.144	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	-175.2	-176	0	0	0	0	0	112.5	Y85 F86	G69-Y85 CarbonylContact O-C 3.59Å; G69-Y85 WeakPolarHBondContact O-CA 3.39Å; G69-Y85 WeakPolarHBondContact O-CD2 3.23Å; G69-F86 PolarHBondContact N-O 2.59Å; G69-F86 VanDerWaalsContact N-O 3.1Å; G69-F86 PolarHBondContact O-N 3.44Å
70	Y	90.9	Very high	70.9	Confident	76 Å²	76	83.6 Å²	83.6	30%	0.298	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	135.5	179.2	-75.7	-82.6	0	0	0	110.7	E83 R84 Y85 S99	Y70-E83 HydrophobicContact CD1-CG 3.75Å; Y70-E83 HydrophobicContact CG-CG 4.34Å; Y70-R84 WeakPolarHBondContact CA-O 3.42Å; Y70-Y85 HydrophobicContact CD1-CD2 4.16Å; Y70-Y85 AromaticContact CD2-CD2 3.89Å; Y70-Y85 HydrophobicContact CD2-CD2 3.89Å; Y70-Y85 HydrophobicContact CD2-CE2 4.42Å; Y70-Y85 AromaticContact CE1-CD2 3.96Å; Y70-Y85 HydrophobicContact CE1-CD2 3.96Å; Y70-Y85 HydrophobicContact CE1-CG 4.32Å; Y70-Y85 AromaticContact CE2-CD2 3.66Å; Y70-Y85 HydrophobicContact CE2-CD2 3.66Å; Y70-Y85 HydrophobicContact CE2-CE2 4.16Å; Y70-Y85 HydrophobicContact CG-CD2 4.14Å; Y70-Y85 AromaticContact CZ-CD2 3.7Å; Y70-S99 PolarHBondContact OH-N 3.45Å; Y70-S99 PolarHBondContact OH-OG 3.44Å
71	L	91.5	Very high	73.3	Confident	4 Å²	4	77.2 Å²	77.2	2%	0.021	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	147.8	170	-69	173.8	0	0	0	109.9	K73 R84 F86 F127 L138 E145 W149	L71-K73 PolarHBondContact O-N 3.12Å; L71-R84 PolarHBondContact N-O 3.2Å; L71-R84 PolarHBondContact O-N 3.37Å; L71-F86 HydrophobicContact CB-CD2 3.67Å; L71-F86 HydrophobicContact CB-CE2 3.74Å; L71-F86 HydrophobicContact CD1-CD2 4.13Å; L71-F86 HydrophobicContact CD1-CE2 4.48Å; L71-F86 HydrophobicContact CD1-CG 4.29Å; L71-F86 HydrophobicContact CG-CD2 4.21Å; L71-F127 HydrophobicContact CD1-CE1 4.3Å; L71-F127 HydrophobicContact CD1-CZ 3.86Å; L71-F127 HydrophobicContact CD2-CE1 4.44Å; L71-L138 HydrophobicContact CD1-CD1 4.23Å; L71-E145 HydrophobicContact CD2-CG 4.27Å; L71-W149 HydrophobicContact CD1-CD2 3.82Å; L71-W149 HydrophobicContact CD1-CE3 4.37Å; L71-W149 HydrophobicContact CD1-CG 3.96Å; L71-W149 HydrophobicContact CD1-CZ2 4.36Å; L71-W149 HydrophobicContact CD2-CG 4.35Å; L71-W149 HydrophobicContact CG-CD2 4.43Å; L71-W149 HydrophobicContact CG-CZ2 4.38Å
72	S	90.3	Very high	75.6	Confident	34 Å²	34	72.1 Å²	72.1	24%	0.238	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	113.4	167.3	-75.4	0	0	0	0	109.7	W81 L138 R139	S72-W81 WeakPolarHBondContact O-CZ3 3.44Å; S72-L138 CarbonylContact O-C 3.55Å; S72-L138 WeakPolarHBondContact O-CA 3.32Å; S72-R139 PolarHBondContact N-O 3.42Å; S72-R139 PolarHBondContact O-N 2.92Å
73	K	90.9	Very high	77.8	Confident	24 Å²	24	66 Å²	66	10%	0.104	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.9	173.1	-168.1	-163.7	174.9	-68.9	0	109.8	L71 Q82 R84 F86 Y95 L138	L71-K73 PolarHBondContact O-N 3.12Å; K73-Q82 PolarHBondContact N-O 3.1Å; K73-Q82 PolarHBondContact O-N 3.16Å; K73-R84 HydrophobicContact CB-CG 4.33Å; K73-F86 HydrophobicContact CB-CE2 4.31Å; K73-F86 HydrophobicContact CB-CZ 4.09Å; K73-F86 HydrophobicContact CD-CZ 4.34Å; K73-F86 HydrophobicContact CG-CZ 4.28Å; K73-Y95 HydrophobicContact CD-CE1 4.47Å; K73-Y95 HydrophobicContact CD-CE2 4.45Å; K73-L138 HydrophobicContact CB-CD2 3.96Å; K73-L138 HydrophobicContact CG-CD2 3.78Å
74	W	87.2	Confident	80.1	Confident	18 Å²	18	64.9 Å²	64.9	7%	0.068	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	145.8	167.3	-171.4	-108.1	0	0	0	111	G80 W81 Y137 G601 P602 D603	W74-G80 VanDerWaalsContact CZ3-C 3.44Å; W74-W81 HydrophobicContact CB-CD2 4.49Å; W74-W81 HydrophobicContact CB-CE3 4.12Å; W74-W81 HydrophobicContact CB-CH2 4.25Å; W74-W81 HydrophobicContact CB-CZ3 4Å; W74-W81 HydrophobicContact CE3-CB 4.43Å; W74-W81 AromaticContact CE3-CD1 3.65Å; W74-W81 AromaticContact CE3-CD2 3.78Å; W74-W81 HydrophobicContact CE3-CD2 3.78Å; W74-W81 AromaticContact CE3-CE2 3.73Å; W74-W81 AromaticContact CE3-CG 3.72Å; W74-W81 HydrophobicContact CE3-CG 3.72Å; W74-W81 HydrophobicContact CE3-CZ2 4.4Å; W74-W81 VanDerWaalsContact CE3-N 3.33Å; W74-W81 AromaticContact CE3-NE1 3.63Å; W74-W81 AromaticContact CZ3-CD1 3.63Å; W74-W81 HydrophobicContact CZ3-CG 4.1Å; W74-W81 AromaticContact CZ3-NE1 3.76Å; W74-Y137 HydrophobicContact CB-CD2 4.34Å; W74-Y137 PolarHBondContact N-O 2.97Å; W74-G601 VanDerWaalsContact CH2-CA 3.47Å; W74-G601 VanDerWaalsContact CZ3-CA 3.46Å; W74-P602 HydrophobicContact CB-CG 4.31Å; W74-P602 HydrophobicContact CD2-CG 4.36Å; W74-P602 HydrophobicContact CG-CG 4.03Å; W74-D603 HydrophobicContact CZ2-CB 4.23Å; W74-D603 WeakPolarHBondContact CZ2-OD2 3.41Å; W74-D603 VanDerWaalsContact NE1-CG 3.29Å; W74-D603 PolarHBondContact NE1-OD1 3.01Å; W74-D603 PolarHBondContact NE1-OD2 3.49Å
75	T	80.9	Confident	81.9	Confident	53 Å²	53	64 Å²	64	33%	0.325	32%	0.323	S	S	.	.			trans	-125.3	-56.7	-176.7	48.6	0	0	0	0	113.4	H79 G80 Q82	T75-H79 VanDerWaalsContact OG1-CB 3.25Å; T75-H79 WeakPolarHBondContact OG1-CB 3.49Å; T75-G80 PolarHBondContact N-O 3.08Å; T75-G80 VanDerWaalsContact N-O 3.09Å; T75-G80 PolarHBondContact OG1-O 3.08Å; T75-Q82 HydrophobicContact CG2-CB 3.88Å; T75-Q82 HydrophobicContact CG2-CG 3.87Å; T75-Q82 WeakPolarHBondContact OG1-CG 3.34Å
76	N	75.9	Confident	83.6	Confident	72 Å²	72	57.1 Å²	57.1	39%	0.385	29%	0.288	S	S	.	.			trans	-173.3	169.2	164.3	55.6	23	0	0	0	109.4	L78 H79 G80	N76-L78 PolarHBondContact O-N 3.33Å; N76-L78 PolarHBondContact OD1-N 3.48Å; N76-H79 PolarHBondContact O-N 2.97Å; N76-H79 PolarHBondContact OD1-N 3.3Å; N76-H79 VanDerWaalsContact OD1-N 3.13Å; N76-H79 PolarHBondContact OD1-ND1 2.89Å; N76-G80 WeakPolarHBondContact O-CA 3.27Å; N76-G80 PolarHBondContact O-N 3.25Å
77	L	65.9	Low	84.8	Confident	108 Å²	108	55 Å²	55	57%	0.565	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43	-30.9	175	-170.5	62.8	0	0	0	115.7	D603 Y604	L77-D603 WeakPolarHBondContact CA-OD2 3.48Å; L77-D603 WeakPolarHBondContact CB-OD2 3.46Å; L77-D603 PolarHBondContact N-OD2 3.45Å; L77-Y604 HydrophobicContact CD1-CD2 4.32Å; L77-Y604 HydrophobicContact CD1-CE2 3.47Å; L77-Y604 VanDerWaalsContact CD1-CE2 3.47Å
78	L	62.5	Low	85	Confident	152 Å²	152	53.3 Å²	53.3	80%	0.796	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-34	-178.5	-173.8	67	0	0	0	113.9	N76	N76-L78 PolarHBondContact O-N 3.33Å; N76-L78 PolarHBondContact OD1-N 3.48Å
79	H	71.6	Confident	84.8	Confident	109 Å²	109	47.8 Å²	47.8	51%	0.505	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-16.9	-176.1	-63.3	86.7	0	0	0	113.4	T75 N76 Q82	T75-H79 VanDerWaalsContact OG1-CB 3.25Å; T75-H79 WeakPolarHBondContact OG1-CB 3.49Å; N76-H79 PolarHBondContact O-N 2.97Å; N76-H79 PolarHBondContact OD1-N 3.3Å; N76-H79 VanDerWaalsContact OD1-N 3.13Å; N76-H79 PolarHBondContact OD1-ND1 2.89Å; H79-Q82 HydrophobicContact CB-CG 4.26Å; H79-Q82 PolarHBondContact O-NE2 3.48Å
80	G	81.3	Confident	84.3	Confident	15 Å²	15	53.6 Å²	53.6	16%	0.155	27%	0.27	C	S	.	.			trans	65.3	-146.7	176.1	0	0	0	0	0	115.2	W74 T75 N76	W74-G80 VanDerWaalsContact CZ3-C 3.44Å; T75-G80 PolarHBondContact N-O 3.08Å; T75-G80 VanDerWaalsContact N-O 3.09Å; T75-G80 PolarHBondContact OG1-O 3.08Å; N76-G80 WeakPolarHBondContact O-CA 3.27Å; N76-G80 PolarHBondContact O-N 3.25Å
81	W	85.8	Confident	83.9	Confident	46 Å²	46	50 Å²	50	17%	0.174	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	129.4	167.3	-69	105.3	0	0	0	109.7	S72 W74 R126 R139 V600 P602	S72-W81 WeakPolarHBondContact O-CZ3 3.44Å; W74-W81 HydrophobicContact CB-CD2 4.49Å; W74-W81 HydrophobicContact CB-CE3 4.12Å; W74-W81 HydrophobicContact CB-CH2 4.25Å; W74-W81 HydrophobicContact CB-CZ3 4Å; W74-W81 HydrophobicContact CE3-CB 4.43Å; W74-W81 AromaticContact CE3-CD1 3.65Å; W74-W81 AromaticContact CE3-CD2 3.78Å; W74-W81 HydrophobicContact CE3-CD2 3.78Å; W74-W81 AromaticContact CE3-CE2 3.73Å; W74-W81 AromaticContact CE3-CG 3.72Å; W74-W81 HydrophobicContact CE3-CG 3.72Å; W74-W81 HydrophobicContact CE3-CZ2 4.4Å; W74-W81 VanDerWaalsContact CE3-N 3.33Å; W74-W81 AromaticContact CE3-NE1 3.63Å; W74-W81 AromaticContact CZ3-CD1 3.63Å; W74-W81 HydrophobicContact CZ3-CG 4.1Å; W74-W81 AromaticContact CZ3-NE1 3.76Å; W81-R126 HydrophobicContact CH2-CG 4.17Å; W81-R139 HydrophobicContact CE3-CB 4.09Å; W81-R139 HydrophobicContact CH2-CB 4.21Å; W81-R139 HydrophobicContact CZ3-CB 3.82Å; W81-V600 PolarHBondContact NE1-O 2.84Å; W81-P602 HydrophobicContact CZ2-CG 4.35Å
82	Q	87.5	Confident	83.8	Confident	58 Å²	58	53.2 Å²	53.2	27%	0.271	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	119.2	-172.4	-77.1	-75.5	-51	0	0	110	K73 T75 H79 R84	K73-Q82 PolarHBondContact N-O 3.1Å; K73-Q82 PolarHBondContact O-N 3.16Å; T75-Q82 HydrophobicContact CG2-CB 3.88Å; T75-Q82 HydrophobicContact CG2-CG 3.87Å; T75-Q82 WeakPolarHBondContact OG1-CG 3.34Å; H79-Q82 HydrophobicContact CB-CG 4.26Å; H79-Q82 PolarHBondContact O-NE2 3.48Å; Q82-R84 PolarHBondContact O-N 2.89Å
83	E	89.7	Confident	83.8	Confident	110 Å²	110	51.6 Å²	51.6	51%	0.514	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	132.2	175.5	-174.7	173.3	78.2	0	0	111.2	Y70	Y70-E83 HydrophobicContact CD1-CG 3.75Å; Y70-E83 HydrophobicContact CG-CG 4.34Å
84	R	90.2	Very high	83.8	Confident	42 Å²	42	51.1 Å²	51.1	16%	0.158	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.4	177.7	-62.2	-63.7	175.6	-103.5	-1.7	109.1	Y70 L71 K73 Q82 F86 Y95 Y96	Y70-R84 WeakPolarHBondContact CA-O 3.42Å; L71-R84 PolarHBondContact N-O 3.2Å; L71-R84 PolarHBondContact O-N 3.37Å; K73-R84 HydrophobicContact CB-CG 4.33Å; Q82-R84 PolarHBondContact O-N 2.89Å; R84-F86 HydrophobicContact CB-CD2 4.25Å; R84-F86 HydrophobicContact CB-CE2 3.77Å; R84-F86 WeakPolarHBondContact O-CD2 3.41Å; R84-Y95 HydrophobicContact CB-CD2 3.92Å; R84-Y95 HydrophobicContact CG-CD2 3.81Å; R84-Y95 HydrophobicContact CG-CE2 4.17Å; R84-Y96 WeakPolarHBondContact CB-O 3.49Å; R84-Y96 WeakPolarHBondContact CD-O 3.45Å
85	Y	91	Very high	84	Confident	37 Å²	37	52.2 Å²	52.2	15%	0.145	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.6	173.4	-170.9	-109.5	0	0	0	109	R68 G69 Y70 V87 Y95 Y96 N98	R68-Y85 WeakPolarHBondContact CB-OH 3.42Å; G69-Y85 CarbonylContact O-C 3.59Å; G69-Y85 WeakPolarHBondContact O-CA 3.39Å; G69-Y85 WeakPolarHBondContact O-CD2 3.23Å; Y70-Y85 HydrophobicContact CD1-CD2 4.16Å; Y70-Y85 AromaticContact CD2-CD2 3.89Å; Y70-Y85 HydrophobicContact CD2-CD2 3.89Å; Y70-Y85 HydrophobicContact CD2-CE2 4.42Å; Y70-Y85 AromaticContact CE1-CD2 3.96Å; Y70-Y85 HydrophobicContact CE1-CD2 3.96Å; Y70-Y85 HydrophobicContact CE1-CG 4.32Å; Y70-Y85 AromaticContact CE2-CD2 3.66Å; Y70-Y85 HydrophobicContact CE2-CD2 3.66Å; Y70-Y85 HydrophobicContact CE2-CE2 4.16Å; Y70-Y85 HydrophobicContact CG-CD2 4.14Å; Y70-Y85 AromaticContact CZ-CD2 3.7Å; Y85-V87 HydrophobicContact CD1-CG2 4.1Å; Y85-V87 HydrophobicContact CE1-CG2 3.77Å; Y85-Y95 CarbonylContact O-C 3.54Å; Y85-Y95 WeakPolarHBondContact O-CA 2.98Å; Y85-Y96 PolarHBondContact N-O 2.89Å; Y85-Y96 PolarHBondContact O-N 2.88Å; Y85-N98 VanDerWaalsContact CB-C 3.5Å
86	F	92.4	Very high	84.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	146.4	178.2	-77.1	-99	0	0	0	110.9	R68 G69 L71 K73 R84 L93 T94 Y95 W136 L138 W149	R68-F86 VanDerWaalsContact CA-O 3.31Å; R68-F86 WeakPolarHBondContact CA-O 3.2Å; G69-F86 PolarHBondContact N-O 2.59Å; G69-F86 VanDerWaalsContact N-O 3.1Å; G69-F86 PolarHBondContact O-N 3.44Å; L71-F86 HydrophobicContact CB-CD2 3.67Å; L71-F86 HydrophobicContact CB-CE2 3.74Å; L71-F86 HydrophobicContact CD1-CD2 4.13Å; L71-F86 HydrophobicContact CD1-CE2 4.48Å; L71-F86 HydrophobicContact CD1-CG 4.29Å; L71-F86 HydrophobicContact CG-CD2 4.21Å; K73-F86 HydrophobicContact CB-CE2 4.31Å; K73-F86 HydrophobicContact CB-CZ 4.09Å; K73-F86 HydrophobicContact CD-CZ 4.34Å; K73-F86 HydrophobicContact CG-CZ 4.28Å; R84-F86 HydrophobicContact CB-CD2 4.25Å; R84-F86 HydrophobicContact CB-CE2 3.77Å; R84-F86 WeakPolarHBondContact O-CD2 3.41Å; F86-L93 HydrophobicContact CD1-CD1 3.98Å; F86-L93 HydrophobicContact CD1-CD2 4.43Å; F86-L93 HydrophobicContact CD1-CG 4.05Å; F86-T94 CarbonylContact C-O 3.59Å; F86-T94 WeakPolarHBondContact CA-O 3.46Å; F86-Y95 HydrophobicContact CE1-CD1 4.48Å; F86-Y95 HydrophobicContact CE1-CG 4.23Å; F86-Y95 HydrophobicContact CZ-CG 4.25Å; F86-W136 AromaticContact CE1-CE3 3.93Å; F86-W136 HydrophobicContact CE1-CE3 3.93Å; F86-W136 AromaticContact CE1-CZ3 3.9Å; F86-W136 HydrophobicContact CE1-CZ3 3.9Å; F86-L138 HydrophobicContact CE1-CD1 4.47Å; F86-L138 HydrophobicContact CE1-CD2 3.92Å; F86-L138 HydrophobicContact CE2-CD2 3.99Å; F86-L138 HydrophobicContact CZ-CD2 3.35Å; F86-W149 HydrophobicContact CB-CH2 3.45Å; F86-W149 VanDerWaalsContact CB-CH2 3.45Å; F86-W149 HydrophobicContact CB-CZ2 4.01Å; F86-W149 HydrophobicContact CB-CZ3 3.97Å
87	V	90.6	Very high	84.7	Confident	6 Å²	6	55.3 Å²	55.3	4%	0.036	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	122.2	173.4	175.4	0	0	0	0	107.5	R68 Y85 T94 Y96 L102	R68-V87 HydrophobicContact CB-CG2 4.41Å; R68-V87 HydrophobicContact CG-CB 4.37Å; R68-V87 HydrophobicContact CG-CG1 4.1Å; R68-V87 HydrophobicContact CG-CG2 4.03Å; Y85-V87 HydrophobicContact CD1-CG2 4.1Å; Y85-V87 HydrophobicContact CE1-CG2 3.77Å; V87-T94 PolarHBondContact N-O 2.87Å; V87-T94 PolarHBondContact O-N 2.7Å; V87-Y96 HydrophobicContact CB-CE2 4.22Å; V87-Y96 HydrophobicContact CG2-CD2 4.27Å; V87-Y96 HydrophobicContact CG2-CE2 3.95Å; V87-L102 HydrophobicContact CG2-CD2 4.18Å
88	L	90.6	Very high	85.5	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	112.1	167.4	-179.4	64.6	0	0	0	108	A66 V67 F92 L93 I112 W149 A152 I153 H156	A66-L88 CarbonylContact C-O 3.58Å; A66-L88 WeakPolarHBondContact CA-O 3.47Å; A66-L88 VanDerWaalsContact CB-O 3.32Å; A66-L88 WeakPolarHBondContact CB-O 3.5Å; V67-L88 PolarHBondContact N-O 2.66Å; V67-L88 PolarHBondContact O-N 2.98Å; L88-F92 WeakPolarHBondContact CA-O 2.98Å; L88-L93 HydrophobicContact CB-CD1 4.12Å; L88-L93 HydrophobicContact CD1-CB 4.13Å; L88-L93 HydrophobicContact CD1-CD1 4.34Å; L88-I112 HydrophobicContact CD1-CG1 3.9Å; L88-W149 HydrophobicContact CB-CZ3 4.28Å; L88-A152 VanDerWaalsContact CD2-C 3.47Å; L88-A152 HydrophobicContact CD2-CB 3.84Å; L88-A152 WeakPolarHBondContact CD2-O 3.27Å; L88-I153 HydrophobicContact CD2-CG1 3.98Å; L88-H156 HydrophobicContact CD1-CB 4.48Å; L88-H156 HydrophobicContact CD2-CB 4.46Å; L88-H156 VanDerWaalsContact CD2-CD2 3.43Å; L88-H156 WeakPolarHBondContact CD2-CD2 3.34Å
89	S	84.2	Confident	86.4	Confident	26 Å²	26	46.6 Å²	46.6	18%	0.182	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	153.4	173	71.8	0	0	0	0	110.3	G91 F92	S89-G91 PolarHBondContact O-N 3.1Å; S89-F92 PolarHBondContact N-O 3.29Å; S89-F92 VanDerWaalsContact N-O 3.13Å; S89-F92 PolarHBondContact O-N 2.86Å; S89-F92 VanDerWaalsContact O-O 3.12Å
90	D	80.1	Confident	86.5	Confident	135 Å²	135	46.7 Å²	46.7	72%	0.722	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	27.5	167.4	-38.7	-52.7	0	0	0	115.2	F92	D90-F92 VanDerWaalsContact C-N 3.34Å; D90-F92 VanDerWaalsContact O-CD2 3.28Å; D90-F92 WeakPolarHBondContact O-CD2 3.27Å
91	G	82.9	Confident	85.9	Confident	1 Å²	1	47 Å²	47	1%	0.01	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	4	-176	0	0	0	0	0	114.8	S89 R111 I112 E160	S89-G91 PolarHBondContact O-N 3.1Å; G91-R111 CarbonylContact O-C 3.58Å; G91-R111 WeakPolarHBondContact O-CA 3.49Å; G91-I112 PolarHBondContact O-N 3.05Å; G91-E160 WeakPolarHBondContact CA-OE2 3.47Å
92	F	87.6	Confident	85	Confident	72 Å²	72	47.9 Å²	47.9	32%	0.316	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.2	-178.8	-67.7	-88.2	0	0	0	112.5	L88 S89 D90 S109 V110 R111	L88-F92 WeakPolarHBondContact CA-O 2.98Å; S89-F92 PolarHBondContact N-O 3.29Å; S89-F92 VanDerWaalsContact N-O 3.13Å; S89-F92 PolarHBondContact O-N 2.86Å; S89-F92 VanDerWaalsContact O-O 3.12Å; D90-F92 VanDerWaalsContact C-N 3.34Å; D90-F92 VanDerWaalsContact O-CD2 3.28Å; D90-F92 WeakPolarHBondContact O-CD2 3.27Å; F92-S109 WeakPolarHBondContact CD1-OG 3.43Å; F92-V110 CarbonylContact C-O 3.53Å; F92-V110 WeakPolarHBondContact CA-O 3.23Å; F92-R111 HydrophobicContact CD1-CB 4.11Å; F92-R111 HydrophobicContact CE1-CB 3.98Å
93	L	91.1	Very high	83.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	112.2	163.7	-175.9	67.5	0	0	0	108.4	F86 L88 S109 V110 I112 V129 W136 L138 W149 I153	F86-L93 HydrophobicContact CD1-CD1 3.98Å; F86-L93 HydrophobicContact CD1-CD2 4.43Å; F86-L93 HydrophobicContact CD1-CG 4.05Å; L88-L93 HydrophobicContact CB-CD1 4.12Å; L88-L93 HydrophobicContact CD1-CB 4.13Å; L88-L93 HydrophobicContact CD1-CD1 4.34Å; L93-S109 WeakPolarHBondContact O-CA 3.47Å; L93-V110 PolarHBondContact N-O 2.86Å; L93-V110 PolarHBondContact O-N 3.37Å; L93-I112 HydrophobicContact CB-CD1 3.73Å; L93-I112 HydrophobicContact CB-CG1 3.9Å; L93-I112 HydrophobicContact CD2-CD1 4.44Å; L93-V129 HydrophobicContact CD2-CG2 4.48Å; L93-W136 HydrophobicContact CD2-CE3 4.19Å; L93-W136 HydrophobicContact CD2-CZ3 4.14Å; L93-W136 HydrophobicContact CG-CZ3 4.11Å; L93-W136 WeakPolarHBondContact O-CH2 3.28Å; L93-W136 WeakPolarHBondContact O-CZ3 3.3Å; L93-L138 HydrophobicContact CD2-CD1 4.36Å; L93-W149 HydrophobicContact CD1-CE3 4.33Å; L93-W149 HydrophobicContact CD1-CZ3 3.9Å; L93-I153 HydrophobicContact CD2-CD1 4.05Å
94	T	90.3	Very high	82.4	Confident	13 Å²	13	54 Å²	54	8%	0.08	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141.7	-171.2	-57	0	0	0	0	110.1	F86 V87 Y96 G108 S109	F86-T94 CarbonylContact C-O 3.59Å; F86-T94 WeakPolarHBondContact CA-O 3.46Å; V87-T94 PolarHBondContact N-O 2.87Å; V87-T94 PolarHBondContact O-N 2.7Å; T94-Y96 HydrophobicContact CG2-CE2 3.75Å; T94-G108 WeakPolarHBondContact CA-O 3.43Å; T94-S109 WeakPolarHBondContact OG1-CB 3.3Å; T94-S109 PolarHBondContact OG1-OG 3.15Å
95	Y	91.3	Very high	81.2	Confident	41 Å²	41	54 Å²	54	16%	0.161	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	150.1	-179.8	83.2	-85.3	0	0	0	114.3	K73 R84 Y85 F86 R107 G108 W136	K73-Y95 HydrophobicContact CD-CE1 4.47Å; K73-Y95 HydrophobicContact CD-CE2 4.45Å; R84-Y95 HydrophobicContact CB-CD2 3.92Å; R84-Y95 HydrophobicContact CG-CD2 3.81Å; R84-Y95 HydrophobicContact CG-CE2 4.17Å; Y85-Y95 CarbonylContact O-C 3.54Å; Y85-Y95 WeakPolarHBondContact O-CA 2.98Å; F86-Y95 HydrophobicContact CE1-CD1 4.48Å; F86-Y95 HydrophobicContact CE1-CG 4.23Å; F86-Y95 HydrophobicContact CZ-CG 4.25Å; Y95-R107 HydrophobicContact CD2-CB 3.81Å; Y95-R107 HydrophobicContact CE1-CB 4.31Å; Y95-R107 HydrophobicContact CE2-CB 3.34Å; Y95-R107 HydrophobicContact CE2-CG 4.3Å; Y95-R107 HydrophobicContact CG-CB 4.47Å; Y95-R107 PolarHBondContact O-N 3.18Å; Y95-R107 PolarHBondContact OH-O 3.33Å; Y95-G108 WeakPolarHBondContact CD1-O 3.3Å; Y95-G108 PolarHBondContact N-O 3.24Å; Y95-W136 AromaticContact CD1-CH2 3.62Å; Y95-W136 HydrophobicContact CD1-CH2 3.62Å; Y95-W136 AromaticContact CD1-CZ2 3.88Å; Y95-W136 HydrophobicContact CD1-CZ2 3.88Å; Y95-W136 HydrophobicContact CD1-CZ3 4.08Å; Y95-W136 HydrophobicContact CE1-CH2 4.05Å; Y95-W136 AromaticContact CE1-CZ2 3.8Å; Y95-W136 HydrophobicContact CE1-CZ2 3.8Å
96	Y	89.2	Confident	80.6	Confident	32 Å²	32	55.2 Å²	55.2	13%	0.125	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	171.8	-175.3	-57.3	-94.8	0	0	0	109.5	R84 Y85 V87 T94 N98 L102	R84-Y96 WeakPolarHBondContact CB-O 3.49Å; R84-Y96 WeakPolarHBondContact CD-O 3.45Å; Y85-Y96 PolarHBondContact N-O 2.89Å; Y85-Y96 PolarHBondContact O-N 2.88Å; V87-Y96 HydrophobicContact CB-CE2 4.22Å; V87-Y96 HydrophobicContact CG2-CD2 4.27Å; V87-Y96 HydrophobicContact CG2-CE2 3.95Å; T94-Y96 HydrophobicContact CG2-CE2 3.75Å; Y96-N98 WeakPolarHBondContact CB-O 3.26Å; Y96-L102 HydrophobicContact CD2-CD2 4.24Å; Y96-L102 HydrophobicContact CE1-CD2 4.17Å; Y96-L102 HydrophobicContact CE2-CD2 3.85Å
97	R	82.8	Confident	80.1	Confident	158 Å²	158	61 Å²	61	60%	0.596	32%	0.316	S	S	*	.	S	Bend	trans	-72.7	-40.8	178.5	-167.3	-167.7	-171.3	168.4	-1	112.3	D101	R97-D101 HydrophobicContact CB-CB 4.37Å; R97-D101 WeakPolarHBondContact CB-OD2 3.45Å
98	N	82.1	Confident	79.7	Confident	40 Å²	40	61.7 Å²	61.7	21%	0.214	33%	0.325	C	S	.	.	S	Bend	trans	-151.9	176.5	-175.7	56.3	-24	0	0	0	107.4	Y85 Y96 D100 D101	Y85-N98 VanDerWaalsContact CB-C 3.5Å; Y96-N98 WeakPolarHBondContact CB-O 3.26Å; N98-D100 PolarHBondContact ND2-OD2 2.68Å; N98-D100 PolarHBondContact O-N 3.39Å; N98-D101 WeakPolarHBondContact OD1-CB 3.19Å; N98-D101 PolarHBondContact OD1-N 2.92Å; N98-D101 VanDerWaalsContact OD1-N 3.15Å; N98-D101 PolarHBondContact OD1-OD1 3.4Å
99	S	81.9	Confident	79.6	Confident	38 Å²	38	64.3 Å²	64.3	27%	0.266	34%	0.343	S	S	.	.	S	Bend	trans	-55.2	-33.7	170.9	41.3	0	0	0	0	113.4	Y70 L102	Y70-S99 PolarHBondContact OH-N 3.45Å; Y70-S99 PolarHBondContact OH-OG 3.44Å; S99-L102 VanDerWaalsContact O-CD1 3.29Å; S99-L102 WeakPolarHBondContact O-CD1 3.48Å; S99-L102 VanDerWaalsContact O-CG 3.24Å; S99-L102 WeakPolarHBondContact O-CG 3.5Å
100	D	74.5	Confident	79.8	Confident	110 Å²	110	63.8 Å²	63.8	59%	0.588	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-87	-23.4	-164.2	-31.1	-40.2	0	0	0	112.1	N98 L102	N98-D100 PolarHBondContact ND2-OD2 2.68Å; N98-D100 PolarHBondContact O-N 3.39Å; D100-L102 PolarHBondContact O-N 3.32Å; D100-L102 VanDerWaalsContact O-N 3.09Å
101	D	67.9	Low	80	Confident	22 Å²	22	64.3 Å²	64.3	12%	0.118	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-67.5	0.8	174	-90	11.4	0	0	0	113.2	R97 N98 N103 L104 R107	R97-D101 HydrophobicContact CB-CB 4.37Å; R97-D101 WeakPolarHBondContact CB-OD2 3.45Å; N98-D101 WeakPolarHBondContact OD1-CB 3.19Å; N98-D101 PolarHBondContact OD1-N 2.92Å; N98-D101 VanDerWaalsContact OD1-N 3.15Å; N98-D101 PolarHBondContact OD1-OD1 3.4Å; D101-N103 PolarHBondContact O-N 3.22Å; D101-N103 VanDerWaalsContact O-N 3.13Å; D101-L104 HydrophobicContact CB-CB 4.45Å; D101-L104 PolarHBondContact O-N 3.48Å; D101-R107 IonicContact OD2-NH2 3.78Å; D101-R107 PolarHBondContact OD2-NH2 3.33Å; D101-R107 VanDerWaalsContact OD2-NH2 3.13Å
102	L	66.3	Low	80.3	Confident	65 Å²	65	64.3 Å²	64.3	34%	0.34	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-48.2	-40.6	176	-84	168.9	0	0	0	112.9	V87 Y96 S99 D100	V87-L102 HydrophobicContact CG2-CD2 4.18Å; Y96-L102 HydrophobicContact CD2-CD2 4.24Å; Y96-L102 HydrophobicContact CE1-CD2 4.17Å; Y96-L102 HydrophobicContact CE2-CD2 3.85Å; S99-L102 VanDerWaalsContact O-CD1 3.29Å; S99-L102 WeakPolarHBondContact O-CD1 3.48Å; S99-L102 VanDerWaalsContact O-CG 3.24Å; S99-L102 WeakPolarHBondContact O-CG 3.5Å; D100-L102 PolarHBondContact O-N 3.32Å; D100-L102 VanDerWaalsContact O-N 3.09Å
103	N	61.3	Low	80.1	Confident	160 Å²	160	65.5 Å²	65.5	86%	0.856	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-86.7	-8.4	179.9	-65.5	-23.8	0	0	0	114	D101	D101-N103 PolarHBondContact O-N 3.22Å; D101-N103 VanDerWaalsContact O-N 3.13Å
104	L	61.5	Low	79.6	Confident	137 Å²	137	72 Å²	72	72%	0.717	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-96.7	1.2	-177.5	-75.5	89.1	0	0	0	113.3	D101	D101-L104 HydrophobicContact CB-CB 4.45Å; D101-L104 PolarHBondContact O-N 3.48Å
105	G	66.7	Low	79.3	Confident	41 Å²	41	71.5 Å²	71.5	42%	0.423	37%	0.368	S	S	.	.			trans	94.1	148.4	179.7	0	0	0	0	0	113.3
106	S	77.4	Confident	79.1	Confident	62 Å²	62	76.4 Å²	76.4	43%	0.434	39%	0.387	S	S	.	.			trans	-72.5	146.8	-177.7	53.7	0	0	0	0	112.5	G108	S106-G108 VanDerWaalsContact C-N 3.33Å
107	R	81.3	Confident	79.1	Confident	121 Å²	121	75.8 Å²	75.8	46%	0.457	39%	0.385	S	S	.	.	S	Bend	trans	-82.5	-14.8	174.2	-66.7	-66.7	176.2	84.3	11.6	113	Y95 D101	Y95-R107 HydrophobicContact CD2-CB 3.81Å; Y95-R107 HydrophobicContact CE1-CB 4.31Å; Y95-R107 HydrophobicContact CE2-CB 3.34Å; Y95-R107 HydrophobicContact CE2-CG 4.3Å; Y95-R107 HydrophobicContact CG-CB 4.47Å; Y95-R107 PolarHBondContact O-N 3.18Å; Y95-R107 PolarHBondContact OH-O 3.33Å; D101-R107 IonicContact OD2-NH2 3.78Å; D101-R107 PolarHBondContact OD2-NH2 3.33Å; D101-R107 VanDerWaalsContact OD2-NH2 3.13Å
108	G	83.6	Confident	79.4	Confident	21 Å²	21	72 Å²	72	22%	0.216	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.6	153.6	171.6	0	0	0	0	0	110.2	T94 Y95 S106	T94-G108 WeakPolarHBondContact CA-O 3.43Å; Y95-G108 WeakPolarHBondContact CD1-O 3.3Å; Y95-G108 PolarHBondContact N-O 3.24Å; S106-G108 VanDerWaalsContact C-N 3.33Å
109	S	87.7	Confident	79.7	Confident	55 Å²	55	73.9 Å²	73.9	39%	0.385	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	140.3	179.9	-171.3	0	0	0	0	109.3	F92 L93 T94	F92-S109 WeakPolarHBondContact CD1-OG 3.43Å; L93-S109 WeakPolarHBondContact O-CA 3.47Å; T94-S109 WeakPolarHBondContact OG1-CB 3.3Å; T94-S109 PolarHBondContact OG1-OG 3.15Å
110	V	87.6	Confident	79.7	Confident	16 Å²	16	73 Å²	73	10%	0.097	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	128.3	-177.9	161	0	0	0	0	108.9	F92 L93 I112 A131 V134 W136	F92-V110 CarbonylContact C-O 3.53Å; F92-V110 WeakPolarHBondContact CA-O 3.23Å; L93-V110 PolarHBondContact N-O 2.86Å; L93-V110 PolarHBondContact O-N 3.37Å; V110-I112 HydrophobicContact CG1-CD1 4.43Å; V110-A131 HydrophobicContact CG1-CB 3.32Å; V110-V134 HydrophobicContact CG2-CG1 4.3Å; V110-W136 HydrophobicContact CB-CH2 3.98Å; V110-W136 HydrophobicContact CB-CZ2 4.26Å; V110-W136 HydrophobicContact CB-CZ3 4.25Å; V110-W136 HydrophobicContact CG2-CD2 4.36Å; V110-W136 HydrophobicContact CG2-CH2 3.69Å; V110-W136 HydrophobicContact CG2-CZ2 3.44Å; V110-W136 VanDerWaalsContact CG2-CZ2 3.44Å; V110-W136 HydrophobicContact CG2-CZ3 4.24Å
111	R	86.1	Confident	79.9	Confident	146 Å²	146	73.9 Å²	73.9	55%	0.551	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	132.3	174.7	-179.1	174.7	-74.5	172.9	-7.8	110.7	G91 F92 K113	G91-R111 CarbonylContact O-C 3.58Å; G91-R111 WeakPolarHBondContact O-CA 3.49Å; F92-R111 HydrophobicContact CD1-CB 4.11Å; F92-R111 HydrophobicContact CE1-CB 3.98Å; R111-K113 HydrophobicContact CG-CB 4.18Å
112	I	88.9	Confident	80.4	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	40%	0.404	C	S	.	.	S	Bend	trans	-88.9	-25.4	-170.8	-69.4	-51	0	0	0	113.8	L88 G91 L93 V110 N114 A115 V129 I153 H156 R157	L88-I112 HydrophobicContact CD1-CG1 3.9Å; G91-I112 PolarHBondContact O-N 3.05Å; L93-I112 HydrophobicContact CB-CD1 3.73Å; L93-I112 HydrophobicContact CB-CG1 3.9Å; L93-I112 HydrophobicContact CD2-CD1 4.44Å; V110-I112 HydrophobicContact CG1-CD1 4.43Å; I112-N114 PolarHBondContact O-N 3.23Å; I112-A115 HydrophobicContact CD1-CB 3.92Å; I112-A115 WeakPolarHBondContact O-CB 3.19Å; I112-A115 PolarHBondContact O-N 3.3Å; I112-V129 HydrophobicContact CD1-CG1 4.29Å; I112-I153 HydrophobicContact CB-CG2 4.49Å; I112-I153 HydrophobicContact CD1-CG2 3.82Å; I112-I153 HydrophobicContact CG1-CG2 4.17Å; I112-I153 HydrophobicContact CG2-CG2 3.54Å; I112-I153 VanDerWaalsContact CG2-O 3.27Å; I112-I153 WeakPolarHBondContact CG2-O 3.45Å; I112-H156 HydrophobicContact CG2-CB 4.31Å; I112-R157 HydrophobicContact CG2-CB 3.93Å
113	K	81.9	Confident	81.1	Confident	97 Å²	97	79.6 Å²	79.6	42%	0.422	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-39.1	-44	175.9	-166.6	171.3	175.6	130.4	0	115.7	R111 R157 E160	R111-K113 HydrophobicContact CG-CB 4.18Å; K113-R157 WeakPolarHBondContact O-CG 3.31Å; K113-E160 WeakPolarHBondContact CA-OE2 3.03Å; K113-E160 HydrophobicContact CB-CB 4.08Å; K113-E160 WeakPolarHBondContact CB-OE2 3.44Å; K113-E160 HydrophobicContact CD-CB 4.14Å; K113-E160 WeakPolarHBondContact CE-O 3.31Å; K113-E160 HydrophobicContact CG-CB 3.89Å; K113-E160 PolarHBondContact N-OE2 3.07Å; K113-E160 PolarHBondContact NZ-O 3.25Å
114	N	81	Confident	82.2	Confident	137 Å²	137	77.9 Å²	77.9	73%	0.733	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.4	17.1	-178.7	-65.3	22.5	0	0	0	112.8	I112	I112-N114 PolarHBondContact O-N 3.23Å
115	A	85.4	Confident	83.4	Confident	3 Å²	3	72.6 Å²	72.6	3%	0.025	35%	0.354	C	S	.	.			trans	-80.9	137.7	-179.5	0	0	0	0	0	111.9	I112 V129 R130 A131 R157	I112-A115 HydrophobicContact CD1-CB 3.92Å; I112-A115 WeakPolarHBondContact O-CB 3.19Å; I112-A115 PolarHBondContact O-N 3.3Å; A115-V129 HydrophobicContact CB-CG1 4.28Å; A115-R130 CarbonylContact C-O 3.53Å; A115-R130 WeakPolarHBondContact CA-O 3.42Å; A115-A131 HydrophobicContact CB-CB 4.22Å; A115-R157 WeakPolarHBondContact O-CD 3.34Å; A115-R157 PolarHBondContact O-NH1 3.11Å
116	Y	86.7	Confident	84.5	Confident	143 Å²	143	71.1 Å²	71.1	56%	0.561	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	138	168.9	-177.7	-92.3	0	0	0	109.4	K118 R130	Y116-K118 HydrophobicContact CE1-CB 4.11Å; Y116-R130 PolarHBondContact N-O 3.07Å; Y116-R130 PolarHBondContact O-N 3.36Å
117	I	89.7	Confident	85.2	Confident	19 Å²	19	68.2 Å²	68.2	10%	0.097	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	123.8	176.8	-51.6	175.7	0	0	0	107.9	F127 E128 I150 I153 E154	I117-F127 HydrophobicContact CG2-CD2 4.32Å; I117-E128 CarbonylContact C-O 3.56Å; I117-E128 WeakPolarHBondContact CA-O 3.4Å; I117-I150 HydrophobicContact CD1-CG2 4.07Å; I117-I150 HydrophobicContact CG2-CD1 4.43Å; I117-I150 HydrophobicContact CG2-CG1 4.13Å; I117-I150 HydrophobicContact CG2-CG2 4.46Å; I117-I153 HydrophobicContact CD1-CB 3.97Å; I117-I153 HydrophobicContact CD1-CG2 3.66Å; I117-I153 HydrophobicContact CG1-CG2 4.27Å; I117-E154 HydrophobicContact CD1-CG 3.86Å
118	K	87.6	Confident	85.7	Confident	79 Å²	79	63.7 Å²	63.7	34%	0.343	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.7	166	-158.2	-160.2	172.5	-162.4	0	109.1	Y116 E121 F127 E128	Y116-K118 HydrophobicContact CE1-CB 4.11Å; K118-E121 WeakPolarHBondContact CE-OE1 3.41Å; K118-E121 IonicContact NZ-OE1 3.26Å; K118-E121 PolarHBondContact NZ-OE1 2.94Å; K118-F127 CarbonylContact O-C 3.55Å; K118-F127 WeakPolarHBondContact O-CA 3.32Å; K118-E128 HydrophobicContact CB-CB 4.11Å; K118-E128 HydrophobicContact CB-CG 4.35Å; K118-E128 WeakPolarHBondContact CD-OE2 3.39Å; K118-E128 PolarHBondContact N-O 3.42Å; K118-E128 PolarHBondContact O-N 2.69Å
119	I	88.1	Confident	86	Confident	79 Å²	79	62.9 Å²	62.9	41%	0.405	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	141.8	169.9	-56.2	-177.5	0	0	0	108.2	R146 I150	I119-R146 VanDerWaalsContact CG2-NH1 3.3Å; I119-I150 HydrophobicContact CD1-CD1 4.33Å; I119-I150 HydrophobicContact CG1-CD1 4.06Å
120	H	82.9	Confident	86.1	Confident	20 Å²	20	66.8 Å²	66.8	9%	0.093	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-76.8	130.8	174.8	-157.7	-109.4	0	0	0	111.3	Y122 D123 R126 E128 E605	H120-Y122 VanDerWaalsContact C-N 3.32Å; H120-Y122 PolarHBondContact O-N 2.71Å; H120-D123 HydrophobicContact CB-CB 4.4Å; H120-D123 WeakPolarHBondContact ND1-CB 3.43Å; H120-D123 PolarHBondContact ND1-N 2.77Å; H120-D123 VanDerWaalsContact ND1-N 3.18Å; H120-R126 HydrophobicContact CB-CB 3.72Å; H120-R126 HydrophobicContact CB-CG 3.82Å; H120-R126 WeakPolarHBondContact CB-O 3.35Å; H120-R126 PolarHBondContact CD2-NE 2.85Å; H120-R126 PolarHBondContact N-O 2.84Å; H120-R126 PolarHBondContact NE2-NH1 3.35Å; H120-R126 VanDerWaalsContact NE2-NH1 3.19Å; H120-R126 PolarHBondContact NE2-NH2 2.98Å; H120-E128 IonicContact CD2-OE1 3.75Å; H120-E605 IonicContact CE1-OE1 2.73Å; H120-E605 PolarHBondContact CE1-OE1 2.99Å; H120-E605 IonicContact NE2-OE1 3.84Å; H120-E605 PolarHBondContact NE2-OE1 2.86Å; H120-E605 IonicContact NE2-OE2 2.69Å
121	E	79	Confident	86	Confident	128 Å²	128	67.1 Å²	67.1	60%	0.598	30%	0.3	S	S	*	.	S	Bend	trans	-69.9	-27.4	-174.2	-69.9	153.5	-128.3	0	0	112.9	K118	K118-E121 WeakPolarHBondContact CE-OE1 3.41Å; K118-E121 IonicContact NZ-OE1 3.26Å; K118-E121 PolarHBondContact NZ-OE1 2.94Å
122	Y	77.6	Confident	85.7	Confident	188 Å²	188	63 Å²	63	74%	0.737	30%	0.304	S	S	*	.	S	Bend	trans	-123.1	-2.7	-172.1	-52	-80.4	0	0	0	115.1	H120	H120-Y122 VanDerWaalsContact C-N 3.32Å; H120-Y122 PolarHBondContact O-N 2.71Å
123	D	81.4	Confident	85.3	Confident	20 Å²	20	71.1 Å²	71.1	11%	0.107	35%	0.347	C	S	.	.			trans	-130.4	104.9	179.8	178.3	2.3	0	0	0	109.1	H120 C125 R126 R139 R146	H120-D123 HydrophobicContact CB-CB 4.4Å; H120-D123 WeakPolarHBondContact ND1-CB 3.43Å; H120-D123 PolarHBondContact ND1-N 2.77Å; H120-D123 VanDerWaalsContact ND1-N 3.18Å; D123-C125 PolarHBondContact O-N 3.31Å; D123-C125 PolarHBondContact OD1-N 2.71Å; D123-C125 VanDerWaalsContact OD1-N 3.09Å; D123-R126 HydrophobicContact CB-CB 3.87Å; D123-R126 PolarHBondContact O-N 2.87Å; D123-R126 VanDerWaalsContact OD2-CB 3.32Å; D123-R126 WeakPolarHBondContact OD2-CB 3.28Å; D123-R139 IonicContact OD1-CZ 3.21Å; D123-R139 IonicContact OD1-NE 2.78Å; D123-R139 PolarHBondContact OD1-NE 2.57Å; D123-R139 IonicContact OD1-NH2 2.74Å; D123-R139 PolarHBondContact OD1-NH2 2.87Å; D123-R139 IonicContact OD2-CZ 3.97Å; D123-R139 IonicContact OD2-NE 3.85Å; D123-R139 PolarHBondContact OD2-NE 2.8Å; D123-R139 IonicContact OD2-NH1 2.78Å; D123-R139 IonicContact OD2-NH2 3.19Å; D123-R139 PolarHBondContact OD2-NH2 3.4Å; D123-R146 PolarHBondContact O-NH1 3.14Å; D123-R146 VanDerWaalsContact O-NH1 3.08Å
124	E	83.9	Confident	85.3	Confident	124 Å²	124	70 Å²	70	58%	0.579	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-13.4	-175.5	-60.3	-171.5	134.3	0	0	113.6	Q143 R146	E124-Q143 HydrophobicContact CB-CB 4.21Å; E124-Q143 HydrophobicContact CB-CG 4.08Å; E124-Q143 WeakPolarHBondContact O-CA 3.46Å; E124-Q143 PolarHBondContact OE1-NE2 2.81Å; E124-R146 WeakPolarHBondContact O-CD 3.23Å; E124-R146 PolarHBondContact O-NE 2.95Å; E124-R146 PolarHBondContact O-NH1 3.13Å; E124-R146 PolarHBondContact O-NH2 3.4Å
125	C	87.9	Confident	85.7	Confident	25 Å²	25	66 Å²	66	17%	0.169	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-14	175.5	-63.7	0	0	0	0	113.6	D123 R139 G140	D123-C125 PolarHBondContact O-N 3.31Å; D123-C125 PolarHBondContact OD1-N 2.71Å; D123-C125 VanDerWaalsContact OD1-N 3.09Å; C125-R139 HydrophobicContact CB-CG 3.76Å; C125-R139 WeakPolarHBondContact O-CA 3.47Å; C125-G140 WeakPolarHBondContact CB-O 3.22Å; C125-G140 PolarHBondContact O-N 2.97Å
126	R	88.2	Confident	85.9	Confident	11 Å²	11	66.9 Å²	66.9	4%	0.042	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.2	-174.7	179	-179.7	159.2	-168.8	-10.2	113.3	W81 H120 D123 E128 L138 R139 R146 E605	W81-R126 HydrophobicContact CH2-CG 4.17Å; H120-R126 HydrophobicContact CB-CB 3.72Å; H120-R126 HydrophobicContact CB-CG 3.82Å; H120-R126 WeakPolarHBondContact CB-O 3.35Å; H120-R126 PolarHBondContact CD2-NE 2.85Å; H120-R126 PolarHBondContact N-O 2.84Å; H120-R126 PolarHBondContact NE2-NH1 3.35Å; H120-R126 VanDerWaalsContact NE2-NH1 3.19Å; H120-R126 PolarHBondContact NE2-NH2 2.98Å; D123-R126 HydrophobicContact CB-CB 3.87Å; D123-R126 PolarHBondContact O-N 2.87Å; D123-R126 VanDerWaalsContact OD2-CB 3.32Å; D123-R126 WeakPolarHBondContact OD2-CB 3.28Å; R126-E128 IonicContact CZ-OE1 3.32Å; R126-E128 IonicContact NE-OE1 3.07Å; R126-E128 PolarHBondContact NE-OE1 2.87Å; R126-E128 IonicContact NH2-OE1 2.76Å; R126-E128 PolarHBondContact NH2-OE1 3.25Å; R126-L138 WeakPolarHBondContact CA-O 3.45Å; R126-R139 HydrophobicContact CB-CG 4.39Å; R126-R146 WeakPolarHBondContact O-CD 3.41Å; R126-R146 PolarHBondContact O-NH1 2.57Å; R126-E605 IonicContact CZ-OE2 3.7Å; R126-E605 IonicContact NH1-OE1 3.65Å; R126-E605 IonicContact NH1-OE2 2.74Å; R126-E605 PolarHBondContact NH1-OE2 2.9Å; R126-E605 IonicContact NH2-OE2 2.72Å; R126-E605 PolarHBondContact NH2-OE2 3.1Å
127	F	92.2	Very high	86.1	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	164.2	172.5	66.7	-72	0	0	0	110.5	L71 I117 K118 V129 L138 R146 W149 I150 I153	L71-F127 HydrophobicContact CD1-CE1 4.3Å; L71-F127 HydrophobicContact CD1-CZ 3.86Å; L71-F127 HydrophobicContact CD2-CE1 4.44Å; I117-F127 HydrophobicContact CG2-CD2 4.32Å; K118-F127 CarbonylContact O-C 3.55Å; K118-F127 WeakPolarHBondContact O-CA 3.32Å; F127-V129 HydrophobicContact CD2-CG2 4.08Å; F127-V129 HydrophobicContact CE2-CG2 3.97Å; F127-L138 HydrophobicContact CD1-CB 4.04Å; F127-L138 HydrophobicContact CD2-CB 4.43Å; F127-L138 HydrophobicContact CD2-CD1 4.47Å; F127-L138 HydrophobicContact CE1-CB 3.69Å; F127-L138 HydrophobicContact CE2-CB 4.11Å; F127-L138 HydrophobicContact CE2-CD1 3.69Å; F127-L138 HydrophobicContact CE2-CG 4.5Å; F127-L138 HydrophobicContact CG-CB 4.4Å; F127-L138 HydrophobicContact CZ-CB 3.74Å; F127-L138 HydrophobicContact CZ-CD1 3.74Å; F127-L138 HydrophobicContact CZ-CG 4.39Å; F127-L138 PolarHBondContact N-O 3.19Å; F127-L138 PolarHBondContact O-N 3.38Å; F127-R146 HydrophobicContact CB-CG 4.22Å; F127-R146 HydrophobicContact CD1-CB 4.47Å; F127-R146 HydrophobicContact CD1-CG 3.77Å; F127-R146 HydrophobicContact CE1-CG 4.45Å; F127-R146 HydrophobicContact CG-CG 4.22Å; F127-W149 HydrophobicContact CE2-CB 4.42Å; F127-W149 HydrophobicContact CZ-CB 3.82Å; F127-W149 HydrophobicContact CZ-CG 4.45Å; F127-I150 HydrophobicContact CB-CD1 4Å; F127-I150 HydrophobicContact CB-CG1 4.37Å; F127-I150 HydrophobicContact CD2-CD1 4.47Å; F127-I150 HydrophobicContact CD2-CG1 3.91Å; F127-I150 HydrophobicContact CE2-CG1 4.35Å; F127-I150 HydrophobicContact CG-CD1 4.28Å; F127-I150 HydrophobicContact CG-CG1 4.16Å; F127-I153 HydrophobicContact CE2-CD1 4.13Å
128	E	92.2	Very high	86.2	Confident	27 Å²	27	60.7 Å²	60.7	13%	0.126	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	124	-170.4	-37.5	-171.6	144.6	0	0	109	I117 K118 H120 R126 W136 Y137	I117-E128 CarbonylContact C-O 3.56Å; I117-E128 WeakPolarHBondContact CA-O 3.4Å; K118-E128 HydrophobicContact CB-CB 4.11Å; K118-E128 HydrophobicContact CB-CG 4.35Å; K118-E128 WeakPolarHBondContact CD-OE2 3.39Å; K118-E128 PolarHBondContact N-O 3.42Å; K118-E128 PolarHBondContact O-N 2.69Å; H120-E128 IonicContact CD2-OE1 3.75Å; R126-E128 IonicContact CZ-OE1 3.32Å; R126-E128 IonicContact NE-OE1 3.07Å; R126-E128 PolarHBondContact NE-OE1 2.87Å; R126-E128 IonicContact NH2-OE1 2.76Å; R126-E128 PolarHBondContact NH2-OE1 3.25Å; E128-W136 WeakPolarHBondContact CA-O 3.24Å; E128-Y137 HydrophobicContact CB-CD1 4.11Å; E128-Y137 HydrophobicContact CG-CD1 3.81Å; E128-Y137 HydrophobicContact CG-CE1 4.29Å; E128-Y137 VanDerWaalsContact OE1-CD1 3.32Å; E128-Y137 WeakPolarHBondContact OE1-CD1 3.44Å; E128-Y137 WeakPolarHBondContact OE1-CE1 3.36Å
129	V	91.2	Very high	86.4	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	111.1	178.7	-179	0	0	0	0	108.4	L93 I112 A115 F127 W136 L138 I153	L93-V129 HydrophobicContact CD2-CG2 4.48Å; I112-V129 HydrophobicContact CD1-CG1 4.29Å; A115-V129 HydrophobicContact CB-CG1 4.28Å; F127-V129 HydrophobicContact CD2-CG2 4.08Å; F127-V129 HydrophobicContact CE2-CG2 3.97Å; V129-W136 PolarHBondContact N-O 2.93Å; V129-W136 PolarHBondContact O-N 3.28Å; V129-L138 HydrophobicContact CG2-CD1 3.89Å; V129-I153 HydrophobicContact CG2-CD1 4.18Å
130	R	89	Confident	86.4	Confident	138 Å²	138	55.9 Å²	55.9	52%	0.521	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.6	176.5	175	-178.7	-82.8	173.1	-7.1	109.8	A115 Y116 G132 V134 I135	A115-R130 CarbonylContact C-O 3.53Å; A115-R130 WeakPolarHBondContact CA-O 3.42Å; Y116-R130 PolarHBondContact N-O 3.07Å; Y116-R130 PolarHBondContact O-N 3.36Å; R130-G132 WeakPolarHBondContact CG-O 3.44Å; R130-V134 CarbonylContact C-O 3.6Å; R130-V134 WeakPolarHBondContact CA-O 3.39Å; R130-I135 HydrophobicContact CB-CG1 4.36Å; R130-I135 HydrophobicContact CG-CG1 4.17Å; R130-I135 VanDerWaalsContact NH2-CD1 3.35Å
131	A	86	Confident	86.4	Confident	22 Å²	22	61.4 Å²	61.4	18%	0.182	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	106.2	175.7	0	0	0	0	0	109.8	V110 A115 D133 V134	V110-A131 HydrophobicContact CG1-CB 3.32Å; A115-A131 HydrophobicContact CB-CB 4.22Å; A131-D133 PolarHBondContact O-N 3.43Å; A131-V134 PolarHBondContact N-O 3.01Å; A131-V134 PolarHBondContact O-N 2.79Å
132	G	79.9	Confident	86.6	Confident	60 Å²	60	57.2 Å²	57.2	62%	0.619	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	-133.2	-163.4	0	0	0	0	0	110.4	R130 V134	R130-G132 WeakPolarHBondContact CG-O 3.44Å; G132-V134 VanDerWaalsContact C-N 3.27Å; G132-V134 PolarHBondContact O-N 3.28Å
133	D	79.1	Confident	87.1	Confident	171 Å²	171	51.7 Å²	51.7	91%	0.914	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-11	-179.1	-46.6	-52	0	0	0	113.5	A131	A131-D133 PolarHBondContact O-N 3.43Å
134	V	82.7	Confident	87.3	Confident	72 Å²	72	57.9 Å²	57.9	44%	0.436	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.1	-176.9	-178.7	0	0	0	0	110.6	V110 R130 A131 G132	V110-V134 HydrophobicContact CG2-CG1 4.3Å; R130-V134 CarbonylContact C-O 3.6Å; R130-V134 WeakPolarHBondContact CA-O 3.39Å; A131-V134 PolarHBondContact N-O 3.01Å; A131-V134 PolarHBondContact O-N 2.79Å; G132-V134 VanDerWaalsContact C-N 3.27Å; G132-V134 PolarHBondContact O-N 3.28Å
135	I	88.2	Confident	87.5	Confident	55 Å²	55	53.9 Å²	53.9	28%	0.282	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.8	174.3	-51.9	173.8	0	0	0	109.3	R130 Y137	R130-I135 HydrophobicContact CB-CG1 4.36Å; R130-I135 HydrophobicContact CG-CG1 4.17Å; R130-I135 VanDerWaalsContact NH2-CD1 3.35Å; I135-Y137 HydrophobicContact CG2-CD1 4.2Å; I135-Y137 HydrophobicContact CG2-CE1 3.8Å; I135-Y137 HydrophobicContact CG2-CE2 4.37Å
136	W	90.3	Very high	87.6	Confident	20 Å²	20	53.1 Å²	53.1	8%	0.076	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	107.2	171.2	-70.8	1.9	0	0	0	110	F86 L93 Y95 V110 E128 V129 L138	F86-W136 AromaticContact CE1-CE3 3.93Å; F86-W136 HydrophobicContact CE1-CE3 3.93Å; F86-W136 AromaticContact CE1-CZ3 3.9Å; F86-W136 HydrophobicContact CE1-CZ3 3.9Å; L93-W136 HydrophobicContact CD2-CE3 4.19Å; L93-W136 HydrophobicContact CD2-CZ3 4.14Å; L93-W136 HydrophobicContact CG-CZ3 4.11Å; L93-W136 WeakPolarHBondContact O-CH2 3.28Å; L93-W136 WeakPolarHBondContact O-CZ3 3.3Å; Y95-W136 AromaticContact CD1-CH2 3.62Å; Y95-W136 HydrophobicContact CD1-CH2 3.62Å; Y95-W136 AromaticContact CD1-CZ2 3.88Å; Y95-W136 HydrophobicContact CD1-CZ2 3.88Å; Y95-W136 HydrophobicContact CD1-CZ3 4.08Å; Y95-W136 HydrophobicContact CE1-CH2 4.05Å; Y95-W136 AromaticContact CE1-CZ2 3.8Å; Y95-W136 HydrophobicContact CE1-CZ2 3.8Å; V110-W136 HydrophobicContact CB-CH2 3.98Å; V110-W136 HydrophobicContact CB-CZ2 4.26Å; V110-W136 HydrophobicContact CB-CZ3 4.25Å; V110-W136 HydrophobicContact CG2-CD2 4.36Å; V110-W136 HydrophobicContact CG2-CH2 3.69Å; V110-W136 HydrophobicContact CG2-CZ2 3.44Å; V110-W136 VanDerWaalsContact CG2-CZ2 3.44Å; V110-W136 HydrophobicContact CG2-CZ3 4.24Å; E128-W136 WeakPolarHBondContact CA-O 3.24Å; V129-W136 PolarHBondContact N-O 2.93Å; V129-W136 PolarHBondContact O-N 3.28Å; W136-L138 HydrophobicContact CB-CD2 4.47Å; W136-L138 HydrophobicContact CB-CG 4.4Å
137	Y	91.2	Very high	87.6	Confident	33 Å²	33	58.2 Å²	58.2	13%	0.129	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	123	166.5	-51.5	-68.5	0	0	0	109.6	W74 E128 I135 P602 E606	W74-Y137 HydrophobicContact CB-CD2 4.34Å; W74-Y137 PolarHBondContact N-O 2.97Å; E128-Y137 HydrophobicContact CB-CD1 4.11Å; E128-Y137 HydrophobicContact CG-CD1 3.81Å; E128-Y137 HydrophobicContact CG-CE1 4.29Å; E128-Y137 VanDerWaalsContact OE1-CD1 3.32Å; E128-Y137 WeakPolarHBondContact OE1-CD1 3.44Å; E128-Y137 WeakPolarHBondContact OE1-CE1 3.36Å; I135-Y137 HydrophobicContact CG2-CD1 4.2Å; I135-Y137 HydrophobicContact CG2-CE1 3.8Å; I135-Y137 HydrophobicContact CG2-CE2 4.37Å; Y137-P602 HydrophobicContact CD1-CB 4.23Å; Y137-P602 HydrophobicContact CD1-CG 3.99Å; Y137-P602 HydrophobicContact CD2-CB 3.71Å; Y137-P602 HydrophobicContact CD2-CG 3.5Å; Y137-P602 VanDerWaalsContact CD2-CG 3.5Å; Y137-P602 HydrophobicContact CE1-CB 4.16Å; Y137-P602 HydrophobicContact CE1-CG 4.42Å; Y137-P602 HydrophobicContact CE2-CB 3.58Å; Y137-P602 HydrophobicContact CE2-CG 3.95Å; Y137-P602 HydrophobicContact CG-CB 4.03Å; Y137-P602 HydrophobicContact CG-CG 3.51Å; Y137-E606 PolarHBondContact OH-OE1 3.33Å
138	L	92.3	Very high	87.5	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.1	-173.9	-61.1	177.8	0	0	0	110.9	L71 S72 K73 F86 L93 R126 F127 V129 W136	L71-L138 HydrophobicContact CD1-CD1 4.23Å; S72-L138 CarbonylContact O-C 3.55Å; S72-L138 WeakPolarHBondContact O-CA 3.32Å; K73-L138 HydrophobicContact CB-CD2 3.96Å; K73-L138 HydrophobicContact CG-CD2 3.78Å; F86-L138 HydrophobicContact CE1-CD1 4.47Å; F86-L138 HydrophobicContact CE1-CD2 3.92Å; F86-L138 HydrophobicContact CE2-CD2 3.99Å; F86-L138 HydrophobicContact CZ-CD2 3.35Å; L93-L138 HydrophobicContact CD2-CD1 4.36Å; R126-L138 WeakPolarHBondContact CA-O 3.45Å; F127-L138 HydrophobicContact CD1-CB 4.04Å; F127-L138 HydrophobicContact CD2-CB 4.43Å; F127-L138 HydrophobicContact CD2-CD1 4.47Å; F127-L138 HydrophobicContact CE1-CB 3.69Å; F127-L138 HydrophobicContact CE2-CB 4.11Å; F127-L138 HydrophobicContact CE2-CD1 3.69Å; F127-L138 HydrophobicContact CE2-CG 4.5Å; F127-L138 HydrophobicContact CG-CB 4.4Å; F127-L138 HydrophobicContact CZ-CB 3.74Å; F127-L138 HydrophobicContact CZ-CD1 3.74Å; F127-L138 HydrophobicContact CZ-CG 4.39Å; F127-L138 PolarHBondContact N-O 3.19Å; F127-L138 PolarHBondContact O-N 3.38Å; V129-L138 HydrophobicContact CG2-CD1 3.89Å; W136-L138 HydrophobicContact CB-CD2 4.47Å; W136-L138 HydrophobicContact CB-CG 4.4Å
139	R	90.3	Very high	87.4	Confident	48 Å²	48	61 Å²	61	18%	0.181	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	126.6	176.6	-166	-179.5	-166.2	177.1	7.6	110.5	S72 W81 D123 C125 R126	S72-R139 PolarHBondContact N-O 3.42Å; S72-R139 PolarHBondContact O-N 2.92Å; W81-R139 HydrophobicContact CE3-CB 4.09Å; W81-R139 HydrophobicContact CH2-CB 4.21Å; W81-R139 HydrophobicContact CZ3-CB 3.82Å; D123-R139 IonicContact OD1-CZ 3.21Å; D123-R139 IonicContact OD1-NE 2.78Å; D123-R139 PolarHBondContact OD1-NE 2.57Å; D123-R139 IonicContact OD1-NH2 2.74Å; D123-R139 PolarHBondContact OD1-NH2 2.87Å; D123-R139 IonicContact OD2-CZ 3.97Å; D123-R139 IonicContact OD2-NE 3.85Å; D123-R139 PolarHBondContact OD2-NE 2.8Å; D123-R139 IonicContact OD2-NH1 2.78Å; D123-R139 IonicContact OD2-NH2 3.19Å; D123-R139 PolarHBondContact OD2-NH2 3.4Å; C125-R139 HydrophobicContact CB-CG 3.76Å; C125-R139 WeakPolarHBondContact O-CA 3.47Å; R126-R139 HydrophobicContact CB-CG 4.39Å
140	G	88	Confident	87.4	Confident	8 Å²	8	61.3 Å²	61.3	8%	0.082	32%	0.319	C	S	.	.			trans	-81.7	173.2	172.3	0	0	0	0	0	112.9	C125	C125-G140 WeakPolarHBondContact CB-O 3.22Å; C125-G140 PolarHBondContact O-N 2.97Å
141	L	83.5	Confident	87.3	Confident	137 Å²	137	56.8 Å²	56.8	72%	0.717	31%	0.308	S	S	*	.	S	Bend	trans	-76.5	-26.4	171.7	-60.9	174	0	0	0	112.1	E145	L141-E145 WeakPolarHBondContact CB-OE2 3.37Å; L141-E145 PolarHBondContact N-OE2 3.07Å
142	S	84.5	Confident	87.5	Confident	40 Å²	40	55.9 Å²	55.9	28%	0.28	30%	0.301	S	S	.	.	S	Bend	trans	-142.3	166	174.6	76.7	0	0	0	0	112.4	E144 E145 R146	S142-E144 PolarHBondContact O-N 2.71Å; S142-E144 PolarHBondContact OG-N 2.94Å; S142-E145 PolarHBondContact O-N 3.37Å; S142-E145 PolarHBondContact OG-N 2.89Å; S142-E145 VanDerWaalsContact OG-N 3.09Å; S142-R146 PolarHBondContact O-N 3.37Å
143	Q	86.8	Confident	87.9	Confident	71 Å²	71	53.1 Å²	53.1	33%	0.332	27%	0.272	S	S	.	.	H	α-helix	trans	-61.3	-34	171.1	-174.6	-174.4	48.1	0	0	111.9	E124 R146 Y147	E124-Q143 HydrophobicContact CB-CB 4.21Å; E124-Q143 HydrophobicContact CB-CG 4.08Å; E124-Q143 WeakPolarHBondContact O-CA 3.46Å; E124-Q143 PolarHBondContact OE1-NE2 2.81Å; Q143-R146 WeakPolarHBondContact O-CB 3.4Å; Q143-R146 PolarHBondContact O-N 3.48Å; Q143-Y147 HydrophobicContact CG-CD2 4Å; Q143-Y147 HydrophobicContact CG-CE2 3.56Å; Q143-Y147 WeakPolarHBondContact O-CD2 3.36Å; Q143-Y147 PolarHBondContact O-N 3.14Å
144	E	85.8	Confident	88.2	Confident	150 Å²	150	48.5 Å²	48.5	70%	0.701	25%	0.245	S	C	*	.	H	α-helix	trans	-66.8	-42.1	176	-53.9	168.5	143.9	0	0	111.2	S142 Y147 T148	S142-E144 PolarHBondContact O-N 2.71Å; S142-E144 PolarHBondContact OG-N 2.94Å; E144-Y147 PolarHBondContact O-N 3.37Å; E144-T148 WeakPolarHBondContact O-CB 3.41Å; E144-T148 PolarHBondContact O-N 2.98Å; E144-T148 PolarHBondContact O-OG1 3.24Å
145	E	88.1	Confident	88.3	Confident	40 Å²	40	51.8 Å²	51.8	19%	0.187	25%	0.25	C	C	.	.	H	α-helix	trans	-63.5	-42.9	173.9	177.8	167.9	-134	0	0	110.8	L71 L141 S142 Y147 T148 W149	L71-E145 HydrophobicContact CD2-CG 4.27Å; L141-E145 WeakPolarHBondContact CB-OE2 3.37Å; L141-E145 PolarHBondContact N-OE2 3.07Å; S142-E145 PolarHBondContact O-N 3.37Å; S142-E145 PolarHBondContact OG-N 2.89Å; S142-E145 VanDerWaalsContact OG-N 3.09Å; E145-Y147 PolarHBondContact O-N 3.15Å; E145-T148 WeakPolarHBondContact O-CB 3.17Å; E145-T148 PolarHBondContact O-N 3.45Å; E145-W149 VanDerWaalsContact O-CD1 3.29Å; E145-W149 PolarHBondContact O-N 3.27Å
146	R	89.5	Confident	88	Confident	9 Å²	9	49.8 Å²	49.8	3%	0.034	24%	0.239	C	C	.	.	H	α-helix	trans	-53.7	-52.3	172.6	178	-178.7	77.8	171.9	-0.1	111.2	I119 D123 E124 R126 F127 S142 Q143 T148 W149 I150	I119-R146 VanDerWaalsContact CG2-NH1 3.3Å; D123-R146 PolarHBondContact O-NH1 3.14Å; D123-R146 VanDerWaalsContact O-NH1 3.08Å; E124-R146 WeakPolarHBondContact O-CD 3.23Å; E124-R146 PolarHBondContact O-NE 2.95Å; E124-R146 PolarHBondContact O-NH1 3.13Å; E124-R146 PolarHBondContact O-NH2 3.4Å; R126-R146 WeakPolarHBondContact O-CD 3.41Å; R126-R146 PolarHBondContact O-NH1 2.57Å; F127-R146 HydrophobicContact CB-CG 4.22Å; F127-R146 HydrophobicContact CD1-CB 4.47Å; F127-R146 HydrophobicContact CD1-CG 3.77Å; F127-R146 HydrophobicContact CE1-CG 4.45Å; F127-R146 HydrophobicContact CG-CG 4.22Å; S142-R146 PolarHBondContact O-N 3.37Å; Q143-R146 WeakPolarHBondContact O-CB 3.4Å; Q143-R146 PolarHBondContact O-N 3.48Å; R146-T148 VanDerWaalsContact C-N 3.33Å; R146-T148 PolarHBondContact O-N 2.95Å; R146-W149 PolarHBondContact O-N 3.45Å; R146-I150 HydrophobicContact CG-CD1 3.7Å; R146-I150 HydrophobicContact CG-CG1 4.39Å; R146-I150 VanDerWaalsContact O-CG1 3.28Å; R146-I150 WeakPolarHBondContact O-CG1 3.42Å; R146-I150 PolarHBondContact O-N 3.39Å
147	Y	88.6	Confident	87.7	Confident	118 Å²	118	52.3 Å²	52.3	46%	0.463	25%	0.248	S	C	.	.	H	α-helix	trans	-63.3	-37.8	178.4	-73.7	-57.2	0	0	0	112.8	Q143 E144 E145 I150 S151	Q143-Y147 HydrophobicContact CG-CD2 4Å; Q143-Y147 HydrophobicContact CG-CE2 3.56Å; Q143-Y147 WeakPolarHBondContact O-CD2 3.36Å; Q143-Y147 PolarHBondContact O-N 3.14Å; E144-Y147 PolarHBondContact O-N 3.37Å; E145-Y147 PolarHBondContact O-N 3.15Å; Y147-I150 PolarHBondContact O-N 3.23Å; Y147-S151 WeakPolarHBondContact O-CB 3.48Å; Y147-S151 PolarHBondContact O-N 3.35Å
148	T	89.3	Confident	87.2	Confident	80 Å²	80	56.1 Å²	56.1	49%	0.491	27%	0.27	S	S	.	.	H	α-helix	trans	-59.1	-49	175.6	-56.3	0	0	0	0	111.3	E144 E145 R146 A152	E144-T148 WeakPolarHBondContact O-CB 3.41Å; E144-T148 PolarHBondContact O-N 2.98Å; E144-T148 PolarHBondContact O-OG1 3.24Å; E145-T148 WeakPolarHBondContact O-CB 3.17Å; E145-T148 PolarHBondContact O-N 3.45Å; R146-T148 VanDerWaalsContact C-N 3.33Å; R146-T148 PolarHBondContact O-N 2.95Å; T148-A152 WeakPolarHBondContact O-CB 3.14Å; T148-A152 PolarHBondContact O-N 3.13Å
149	W	91.3	Very high	86.3	Confident	5 Å²	5	59 Å²	59	2%	0.019	29%	0.294	C	S	.	.	H	α-helix	trans	-67.2	-45	178.1	-80.9	101.1	0	0	0	113.2	V67 L71 F86 L88 L93 F127 E145 R146 S151 A152 I153	V67-W149 HydrophobicContact CB-CZ3 4.33Å; V67-W149 HydrophobicContact CG1-CD2 4.06Å; V67-W149 HydrophobicContact CG1-CE3 3.98Å; V67-W149 HydrophobicContact CG1-CH2 3.86Å; V67-W149 HydrophobicContact CG1-CZ2 3.96Å; V67-W149 HydrophobicContact CG1-CZ3 3.87Å; L71-W149 HydrophobicContact CD1-CD2 3.82Å; L71-W149 HydrophobicContact CD1-CE3 4.37Å; L71-W149 HydrophobicContact CD1-CG 3.96Å; L71-W149 HydrophobicContact CD1-CZ2 4.36Å; L71-W149 HydrophobicContact CD2-CG 4.35Å; L71-W149 HydrophobicContact CG-CD2 4.43Å; L71-W149 HydrophobicContact CG-CZ2 4.38Å; F86-W149 HydrophobicContact CB-CH2 3.45Å; F86-W149 VanDerWaalsContact CB-CH2 3.45Å; F86-W149 HydrophobicContact CB-CZ2 4.01Å; F86-W149 HydrophobicContact CB-CZ3 3.97Å; L88-W149 HydrophobicContact CB-CZ3 4.28Å; L93-W149 HydrophobicContact CD1-CE3 4.33Å; L93-W149 HydrophobicContact CD1-CZ3 3.9Å; F127-W149 HydrophobicContact CE2-CB 4.42Å; F127-W149 HydrophobicContact CZ-CB 3.82Å; F127-W149 HydrophobicContact CZ-CG 4.45Å; E145-W149 VanDerWaalsContact O-CD1 3.29Å; E145-W149 PolarHBondContact O-N 3.27Å; R146-W149 PolarHBondContact O-N 3.45Å; W149-S151 PolarHBondContact O-N 3.47Å; W149-A152 PolarHBondContact O-N 3.03Å; W149-I153 WeakPolarHBondContact O-CD1 3.34Å; W149-I153 VanDerWaalsContact O-CG1 3.24Å; W149-I153 WeakPolarHBondContact O-CG1 3.28Å; W149-I153 PolarHBondContact O-N 3.49Å
150	I	89.9	Confident	85.1	Confident	10 Å²	10	59 Å²	59	5%	0.051	30%	0.296	C	S	.	.	H	α-helix	trans	-57.5	-51.7	176.8	-68.6	173.5	0	0	0	109.8	I117 I119 F127 R146 Y147 A152 I153 E154	I117-I150 HydrophobicContact CD1-CG2 4.07Å; I117-I150 HydrophobicContact CG2-CD1 4.43Å; I117-I150 HydrophobicContact CG2-CG1 4.13Å; I117-I150 HydrophobicContact CG2-CG2 4.46Å; I119-I150 HydrophobicContact CD1-CD1 4.33Å; I119-I150 HydrophobicContact CG1-CD1 4.06Å; F127-I150 HydrophobicContact CB-CD1 4Å; F127-I150 HydrophobicContact CB-CG1 4.37Å; F127-I150 HydrophobicContact CD2-CD1 4.47Å; F127-I150 HydrophobicContact CD2-CG1 3.91Å; F127-I150 HydrophobicContact CE2-CG1 4.35Å; F127-I150 HydrophobicContact CG-CD1 4.28Å; F127-I150 HydrophobicContact CG-CG1 4.16Å; R146-I150 HydrophobicContact CG-CD1 3.7Å; R146-I150 HydrophobicContact CG-CG1 4.39Å; R146-I150 VanDerWaalsContact O-CG1 3.28Å; R146-I150 WeakPolarHBondContact O-CG1 3.42Å; R146-I150 PolarHBondContact O-N 3.39Å; Y147-I150 PolarHBondContact O-N 3.23Å; I150-A152 VanDerWaalsContact C-N 3.28Å; I150-A152 PolarHBondContact O-N 3.22Å; I150-I153 PolarHBondContact O-N 2.68Å; I150-I153 VanDerWaalsContact O-N 3.17Å; I150-E154 HydrophobicContact CG2-CG 4.42Å; I150-E154 WeakPolarHBondContact O-CG 3.36Å; I150-E154 PolarHBondContact O-N 2.92Å
151	S	88.4	Confident	83.7	Confident	43 Å²	43	62 Å²	62	30%	0.301	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-33.7	-179.6	-174	0	0	0	0	112.5	Y147 W149 R155	Y147-S151 WeakPolarHBondContact O-CB 3.48Å; Y147-S151 PolarHBondContact O-N 3.35Å; W149-S151 PolarHBondContact O-N 3.47Å; S151-R155 VanDerWaalsContact O-CG 3.31Å; S151-R155 WeakPolarHBondContact O-CG 3.23Å; S151-R155 PolarHBondContact O-N 3.07Å; S151-R155 PolarHBondContact O-NH1 2.91Å; S151-R155 VanDerWaalsContact O-NH1 3.09Å; S151-R155 PolarHBondContact OG-NH1 3.4Å; S151-R155 PolarHBondContact OG-NH2 2.83Å; S151-R155 VanDerWaalsContact OG-NH2 3.14Å
152	A	88.7	Confident	82	Confident	3 Å²	3	58.5 Å²	58.5	3%	0.025	31%	0.313	C	S	.	.	H	α-helix	trans	-68	-45.1	174.1	0	0	0	0	0	112.4	V67 L88 T148 W149 I150 E154 R155 H156	V67-A152 HydrophobicContact CB-CB 4.03Å; V67-A152 HydrophobicContact CG2-CB 3.49Å; V67-A152 VanDerWaalsContact CG2-CB 3.49Å; L88-A152 VanDerWaalsContact CD2-C 3.47Å; L88-A152 HydrophobicContact CD2-CB 3.84Å; L88-A152 WeakPolarHBondContact CD2-O 3.27Å; T148-A152 WeakPolarHBondContact O-CB 3.14Å; T148-A152 PolarHBondContact O-N 3.13Å; W149-A152 PolarHBondContact O-N 3.03Å; I150-A152 VanDerWaalsContact C-N 3.28Å; I150-A152 PolarHBondContact O-N 3.22Å; A152-E154 VanDerWaalsContact C-N 3.32Å; A152-E154 PolarHBondContact O-N 2.8Å; A152-R155 PolarHBondContact O-N 3.42Å; A152-H156 PolarHBondContact O-N 2.86Å; A152-H156 VanDerWaalsContact O-N 3.08Å
153	I	89.4	Confident	80	Confident	2 Å²	2	67.8 Å²	67.8	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-62.2	-41.4	176.2	-64.8	164.9	0	0	0	110	L88 L93 I112 I117 F127 V129 W149 I150 H156 R157	L88-I153 HydrophobicContact CD2-CG1 3.98Å; L93-I153 HydrophobicContact CD2-CD1 4.05Å; I112-I153 HydrophobicContact CB-CG2 4.49Å; I112-I153 HydrophobicContact CD1-CG2 3.82Å; I112-I153 HydrophobicContact CG1-CG2 4.17Å; I112-I153 HydrophobicContact CG2-CG2 3.54Å; I112-I153 VanDerWaalsContact CG2-O 3.27Å; I112-I153 WeakPolarHBondContact CG2-O 3.45Å; I117-I153 HydrophobicContact CD1-CB 3.97Å; I117-I153 HydrophobicContact CD1-CG2 3.66Å; I117-I153 HydrophobicContact CG1-CG2 4.27Å; F127-I153 HydrophobicContact CE2-CD1 4.13Å; V129-I153 HydrophobicContact CG2-CD1 4.18Å; W149-I153 WeakPolarHBondContact O-CD1 3.34Å; W149-I153 VanDerWaalsContact O-CG1 3.24Å; W149-I153 WeakPolarHBondContact O-CG1 3.28Å; W149-I153 PolarHBondContact O-N 3.49Å; I150-I153 PolarHBondContact O-N 2.68Å; I150-I153 VanDerWaalsContact O-N 3.17Å; I153-H156 PolarHBondContact O-N 3.27Å; I153-R157 WeakPolarHBondContact O-CB 3.43Å; I153-R157 PolarHBondContact O-N 2.88Å
154	E	86.3	Confident	77.5	Confident	74 Å²	74	67.7 Å²	67.7	35%	0.346	36%	0.362	S	S	.	.	H	α-helix	trans	-66.9	-41.8	176.6	-70.5	-174.4	137.8	0	0	113.2	I117 I150 A152 H156 R157 I158	I117-E154 HydrophobicContact CD1-CG 3.86Å; I150-E154 HydrophobicContact CG2-CG 4.42Å; I150-E154 WeakPolarHBondContact O-CG 3.36Å; I150-E154 PolarHBondContact O-N 2.92Å; A152-E154 VanDerWaalsContact C-N 3.32Å; A152-E154 PolarHBondContact O-N 2.8Å; E154-H156 VanDerWaalsContact C-N 3.34Å; E154-H156 PolarHBondContact O-N 3.26Å; E154-R157 PolarHBondContact O-N 2.92Å; E154-R157 IonicContact OE1-NH2 3.44Å; E154-I158 VanDerWaalsContact O-CG1 3.3Å; E154-I158 WeakPolarHBondContact O-CG1 3.35Å; E154-I158 PolarHBondContact O-N 3.07Å
155	R	83.5	Confident	75.2	Confident	142 Å²	142	66.1 Å²	66.1	54%	0.536	37%	0.368	S	S	.	.	H	α-helix	trans	-57.3	-45.7	172.6	-75.9	-178.2	-157.7	91.5	-4.4	111.7	S151 A152 I158 A159	S151-R155 VanDerWaalsContact O-CG 3.31Å; S151-R155 WeakPolarHBondContact O-CG 3.23Å; S151-R155 PolarHBondContact O-N 3.07Å; S151-R155 PolarHBondContact O-NH1 2.91Å; S151-R155 VanDerWaalsContact O-NH1 3.09Å; S151-R155 PolarHBondContact OG-NH1 3.4Å; S151-R155 PolarHBondContact OG-NH2 2.83Å; S151-R155 VanDerWaalsContact OG-NH2 3.14Å; A152-R155 PolarHBondContact O-N 3.42Å; R155-I158 PolarHBondContact O-N 2.9Å; R155-A159 WeakPolarHBondContact O-CB 3.24Å; R155-A159 PolarHBondContact O-N 3.46Å
156	H	82.8	Confident	72.3	Confident	13 Å²	13	72.1 Å²	72.1	6%	0.06	40%	0.395	C	S	.	.	H	α-helix	trans	-63.1	-42	175.5	-90	-86.3	0	0	0	112.2	P64 L88 I112 A152 I153 E154 I158 A159 E160	P64-H156 VanDerWaalsContact CB-CE1 3.48Å; P64-H156 WeakPolarHBondContact CB-CE1 3.32Å; L88-H156 HydrophobicContact CD1-CB 4.48Å; L88-H156 HydrophobicContact CD2-CB 4.46Å; L88-H156 VanDerWaalsContact CD2-CD2 3.43Å; L88-H156 WeakPolarHBondContact CD2-CD2 3.34Å; I112-H156 HydrophobicContact CG2-CB 4.31Å; A152-H156 PolarHBondContact O-N 2.86Å; A152-H156 VanDerWaalsContact O-N 3.08Å; I153-H156 PolarHBondContact O-N 3.27Å; E154-H156 VanDerWaalsContact C-N 3.34Å; E154-H156 PolarHBondContact O-N 3.26Å; H156-I158 VanDerWaalsContact C-N 3.34Å; H156-I158 PolarHBondContact O-N 3.12Å; H156-A159 PolarHBondContact O-N 3.13Å; H156-E160 PolarHBondContact O-N 2.91Å
157	R	84.2	Confident	69.7	Low	72 Å²	72	81.3 Å²	81.3	27%	0.272	44%	0.436	S	S	.	.	H	α-helix	trans	-62.3	-39.6	177.5	-166.2	177.6	65.7	-176.2	-4	112.4	I112 K113 A115 I153 E154 S161	I112-R157 HydrophobicContact CG2-CB 3.93Å; K113-R157 WeakPolarHBondContact O-CG 3.31Å; A115-R157 WeakPolarHBondContact O-CD 3.34Å; A115-R157 PolarHBondContact O-NH1 3.11Å; I153-R157 WeakPolarHBondContact O-CB 3.43Å; I153-R157 PolarHBondContact O-N 2.88Å; E154-R157 PolarHBondContact O-N 2.92Å; E154-R157 IonicContact OE1-NH2 3.44Å; R157-S161 WeakPolarHBondContact O-CB 3.3Å; R157-S161 PolarHBondContact O-N 3.12Å
158	I	79.9	Confident	67.3	Low	113 Å²	113	82.5 Å²	82.5	58%	0.579	46%	0.455	S	S	*	.	H	α-helix	trans	-69.5	-44.7	176.3	-66.7	163.8	0	0	0	110.6	E154 R155 H156 E160 S161	E154-I158 VanDerWaalsContact O-CG1 3.3Å; E154-I158 WeakPolarHBondContact O-CG1 3.35Å; E154-I158 PolarHBondContact O-N 3.07Å; R155-I158 PolarHBondContact O-N 2.9Å; H156-I158 VanDerWaalsContact C-N 3.34Å; H156-I158 PolarHBondContact O-N 3.12Å; I158-E160 VanDerWaalsContact C-N 3.3Å; I158-E160 PolarHBondContact O-N 3.38Å; I158-S161 PolarHBondContact O-N 3.06Å; I158-S161 PolarHBondContact O-OG 2.89Å
159	A	73.4	Confident	64.6	Low	61 Å²	61	84.8 Å²	84.8	50%	0.504	46%	0.463	S	S	.	.	H	α-helix	trans	-60.7	-38.8	176.8	0	0	0	0	0	112.3	P64 R155 H156 S161	P64-A159 HydrophobicContact CG-CB 3.62Å; R155-A159 WeakPolarHBondContact O-CB 3.24Å; R155-A159 PolarHBondContact O-N 3.46Å; H156-A159 PolarHBondContact O-N 3.13Å; A159-S161 VanDerWaalsContact C-N 3.31Å; A159-S161 PolarHBondContact O-N 3.09Å
160	E	64.8	Low	61.9	Low	47 Å²	47	91.8 Å²	91.8	22%	0.22	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.8	174	-71.3	-164.6	100.4	0	0	114.1	G91 K113 H156 I158 G162	G91-E160 WeakPolarHBondContact CA-OE2 3.47Å; K113-E160 WeakPolarHBondContact CA-OE2 3.03Å; K113-E160 HydrophobicContact CB-CB 4.08Å; K113-E160 WeakPolarHBondContact CB-OE2 3.44Å; K113-E160 HydrophobicContact CD-CB 4.14Å; K113-E160 WeakPolarHBondContact CE-O 3.31Å; K113-E160 HydrophobicContact CG-CB 3.89Å; K113-E160 PolarHBondContact N-OE2 3.07Å; K113-E160 PolarHBondContact NZ-O 3.25Å; H156-E160 PolarHBondContact O-N 2.91Å; I158-E160 VanDerWaalsContact C-N 3.3Å; I158-E160 PolarHBondContact O-N 3.38Å; E160-G162 VanDerWaalsContact C-N 3.3Å; E160-G162 PolarHBondContact O-N 3.02Å
161	S	57.9	Low	59.4	Low	71 Å²	71	99.5 Å²	99.5	50%	0.497	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.8	-172.9	77.5	0	0	0	0	114.9	R157 I158 A159 Y163	R157-S161 WeakPolarHBondContact O-CB 3.3Å; R157-S161 PolarHBondContact O-N 3.12Å; I158-S161 PolarHBondContact O-N 3.06Å; I158-S161 PolarHBondContact O-OG 2.89Å; A159-S161 VanDerWaalsContact C-N 3.31Å; A159-S161 PolarHBondContact O-N 3.09Å; S161-Y163 PolarHBondContact O-N 3.47Å
162	G	49	Very low	56.7	Low	65 Å²	65	105.5 Å²	105.5	67%	0.67	55%	0.554	S	S	*	*	S	Bend	trans	79.4	13.7	166.8	0	0	0	0	0	116.3	E160	E160-G162 VanDerWaalsContact C-N 3.3Å; E160-G162 PolarHBondContact O-N 3.02Å
163	Y	42.1	Very low	53.8	Low	234 Å²	234	111 Å²	111	92%	0.918	59%	0.593	S	S	*	*			trans	-101.8	64.5	177.2	-132.9	-94.4	0	0	0	110.6	S161	S161-Y163 PolarHBondContact O-N 3.47Å
164	G	34.7	Very low	51.6	Low	70 Å²	70	116 Å²	116	72%	0.722	63%	0.628	S	S	*	*	S	Bend	trans	-162.4	130.9	-176.7	0	0	0	0	0	111.7
165	S	36.4	Very low	49.1	Very low	117 Å²	117	119.8 Å²	119.8	82%	0.818	65%	0.65	S	S	*	*			trans	-62.3	156.5	-164.2	-166.6	0	0	0	0	116.1
166	E	28	Very low	47	Very low	165 Å²	165	120.7 Å²	120.7	77%	0.771	66%	0.664	S	S	*	*			trans	-45.5	133.2	-178.7	-55.6	168	105.8	0	0	115.6
167	K	35.3	Very low	44.8	Very low	203 Å²	203	124.7 Å²	124.7	88%	0.883	69%	0.694	S	S	*	*			trans	-171.2	68.7	147.9	-107.2	157.6	-172.3	175.1	0	114
168	T	38.7	Very low	42.3	Very low	142 Å²	142	129.2 Å²	129.2	87%	0.871	72%	0.722	S	S	*	*			trans	-170.3	87.4	146.3	12.6	0	0	0	0	110.4
169	I	32.3	Very low	39.9	Very low	128 Å²	128	131.4 Å²	131.4	66%	0.656	74%	0.735	S	S	*	*			trans	-72.2	161.1	157.2	-60.1	172	0	0	0	107.3
170	H	33.2	Very low	38	Very low	153 Å²	153	134.1 Å²	134.1	71%	0.708	75%	0.75	S	S	*	*			trans	72.5	107.2	-174.9	-33.9	-73.3	0	0	0	112.4
171	H	38.7	Very low	36.5	Very low	171 Å²	171	137 Å²	137	79%	0.792	77%	0.772	S	S	*	*				-154.1	126.6	56.7	-85.6	-90.4	0	0	0	114.3
172	H	32	Very low	35.4	Very low	169 Å²	169	140.6 Å²	140.6	78%	0.782	78%	0.78	S	S	*	*			trans	27.5	118.9	151.2	-61.1	-85.9	0	0	0	122.5
173	S	28.2	Very low	34.7	Very low	119 Å²	119	141.1 Å²	141.1	83%	0.832	77%	0.773	S	S	*	*			trans	67.5	129.4	136.3	-144.8	0	0	0	0	118
174	S	42.2	Very low	34.6	Very low	106 Å²	106	133 Å²	133	74%	0.741	75%	0.749	S	S	*	*			cis	-144.3	145.2	33.5	47.4	0	0	0	0	114.5
175	L	33.8	Very low	34.6	Very low	155 Å²	155	133.2 Å²	133.2	81%	0.812	74%	0.74	S	S	*	*			trans	-61.8	154.7	162.9	-53.4	170.5	0	0	0	108.8
176	L	40.3	Very low	34.4	Very low	160 Å²	160	132.8 Å²	132.8	84%	0.838	73%	0.727	S	S	*	*				-166	167.5	62.8	-67	161	0	0	0	107.3
177	S	36.6	Very low	34.6	Very low	98 Å²	98	133.3 Å²	133.3	69%	0.685	73%	0.729	S	S	*	*			cis	-170.2	154.3	-25.7	-86	0	0	0	0	105.9
178	L	30.4	Very low	34.3	Very low	166 Å²	166	128.4 Å²	128.4	87%	0.869	72%	0.721	S	S	*	*			trans	-88.4	174.4	178.1	-73.1	164.9	0	0	0	112.8
179	N	30.7	Very low	33.9	Very low	160 Å²	160	127.8 Å²	127.8	86%	0.856	72%	0.717	S	S	*	*			trans	77.4	147.8	-178.9	-54.1	-6	0	0	0	114.5
180	S	33.4	Very low	34	Very low	117 Å²	117	127.2 Å²	127.2	82%	0.818	72%	0.724	S	S	*	*			cis	-137.6	-155.3	9.8	61.8	0	0	0	0	113.8
181	T	32.3	Very low	33.9	Very low	109 Å²	109	124 Å²	124	67%	0.669	72%	0.719	S	S	*	*			trans	-112.9	177.7	-150.6	33.5	0	0	0	0	116.4
182	H	35.6	Very low	33.6	Very low	146 Å²	146	126.1 Å²	126.1	68%	0.676	73%	0.726	S	S	*	*			trans	100	63.8	155.8	-49	-70.8	0	0	0	123.1
183	S	33.6	Very low	34.1	Very low	75 Å²	75	125.9 Å²	125.9	52%	0.524	72%	0.723	S	S	.	*				57.4	168.3	124.3	-73.3	0	0	0	0	125.5	A394 Q395	S183-A394 VanDerWaalsContact O-CA 3.25Å; S183-A394 WeakPolarHBondContact O-CA 3.3Å; S183-A394 PolarHBondContact O-N 2.78Å; S183-Q395 PolarHBondContact O-OE1 2.82Å
184	P	41.2	Very low	34.4	Very low	63 Å²	63	131 Å²	131	41%	0.409	72%	0.724	S	S	.	*			trans	-137.1	157.1	-154.6	43.4	-26.8	0	0	0	120.3	A394 Q395 T396	P184-A394 CarbonylContact C-O 3.56Å; P184-A394 CarbonylContact O-C 3.56Å; P184-Q395 CarbonylContact O-C 3.37Å; P184-Q395 WeakPolarHBondContact O-CA 3.42Å; P184-Q395 PolarHBondContact O-N 3.37Å; P184-T396 HydrophobicContact CG-CG2 4.25Å; P184-T396 PolarHBondContact O-N 3.08Å
185	S	33.6	Very low	34.4	Very low	75 Å²	75	130.9 Å²	130.9	52%	0.524	72%	0.715	S	S	.	*			trans	-115.5	145	159	58.1	0	0	0	0	109.9	N393 A394	S185-N393 PolarHBondContact OG-O 2.6Å; S185-A394 WeakPolarHBondContact CB-O 3.47Å; S185-A394 PolarHBondContact N-O 3.46Å; S185-A394 VanDerWaalsContact N-O 3.08Å; S185-A394 PolarHBondContact OG-O 2.98Å
186	I	32.9	Very low	35.5	Very low	108 Å²	108	128.9 Å²	128.9	55%	0.554	70%	0.697	S	S	*	*			cis	101.2	133.6	28.3	-64	169.1	0	0	0	112.4
187	H	31.4	Very low	36.8	Very low	177 Å²	177	122.8 Å²	122.8	82%	0.819	67%	0.674	S	S	*	*			trans	70.7	125.9	-166.6	-45.6	-68.2	0	0	0	114.2
188	S	29.6	Very low	38.7	Very low	100 Å²	100	121.3 Å²	121.3	70%	0.699	66%	0.657	S	S	*	*			cis	-155.7	175.8	-11.7	-70.2	0	0	0	0	106.6
189	T	29.4	Very low	40.9	Very low	129 Å²	129	120.3 Å²	120.3	79%	0.791	65%	0.646	S	S	*	*			cis	-153.4	-155.3	15.6	-28.4	0	0	0	0	109	S191	T189-S191 PolarHBondContact O-N 3.22Å
190	S	34.8	Very low	43.2	Very low	115 Å²	115	117.3 Å²	117.3	80%	0.804	63%	0.627	S	S	*	*			trans	45	66.6	161.1	62.5	0	0	0	0	117
191	S	30.2	Very low	45.3	Very low	85 Å²	85	112.8 Å²	112.8	59%	0.594	59%	0.592	S	S	*	*			trans	-78.2	126.6	169.2	58.1	0	0	0	0	112.4	T189	T189-S191 PolarHBondContact O-N 3.22Å
192	F	34.2	Very low	47.6	Very low	216 Å²	216	112 Å²	112	95%	0.947	58%	0.584	S	S	*	*			trans	-96.8	113.8	134.4	-70.8	-75.2	0	0	0	106.2
193	K	41.9	Very low	49.8	Very low	165 Å²	165	107.8 Å²	107.8	72%	0.717	57%	0.574	S	S	*	*			trans	-72.2	157.4	-174	-67.5	179.2	179.7	175.7	0	110	N195	K193-N195 PolarHBondContact O-N 2.95Å
194	R	34.9	Very low	52.2	Low	225 Å²	225	106.9 Å²	106.9	85%	0.849	56%	0.561	S	S	*	*			trans	-57.8	108.1	154.7	-78.6	-176.9	167.8	111.9	-4	107.2	Y196	R194-Y196 PolarHBondContact O-N 3.42Å
195	N	42.3	Very low	54.1	Low	104 Å²	104	106 Å²	106	56%	0.556	55%	0.552	S	S	*	*			trans	-74.3	104.9	167.1	-81.6	4.1	0	0	0	107.2	K193 G197	K193-N195 PolarHBondContact O-N 2.95Å; N195-G197 PolarHBondContact O-N 3.4Å
196	Y	57	Low	56.4	Low	113 Å²	113	106.6 Å²	106.6	44%	0.443	55%	0.547	S	S	.	.			trans	-55.4	128.6	167	-66.7	-84.3	0	0	0	108	R194 E200 I476	R194-Y196 PolarHBondContact O-N 3.42Å; Y196-E200 WeakPolarHBondContact CA-OE2 3.41Å; Y196-I476 WeakPolarHBondContact O-CD1 3.32Å
197	G	67.1	Low	58.9	Low	33 Å²	33	104.9 Å²	104.9	34%	0.34	54%	0.541	S	S	.	.			trans	-66.7	146.1	-172.2	0	0	0	0	0	110.8	N195 K199 E200 K201	N195-G197 PolarHBondContact O-N 3.4Å; G197-K199 PolarHBondContact O-N 3.33Å; G197-K199 VanDerWaalsContact O-N 3.1Å; G197-E200 PolarHBondContact N-OE2 3.48Å; G197-E200 WeakPolarHBondContact O-CA 3.27Å; G197-E200 VanDerWaalsContact O-CB 3.31Å; G197-E200 WeakPolarHBondContact O-CB 3.46Å; G197-E200 PolarHBondContact O-N 2.66Å; G197-K201 PolarHBondContact O-N 3.25Å
198	I	76.6	Confident	61.6	Low	67 Å²	67	98.6 Å²	98.6	34%	0.344	51%	0.512	S	S	.	.	H	α-helix	trans	-54.2	-33.8	172.2	-164.3	72.1	0	0	0	111.2	L202 C473 I476	I198-L202 HydrophobicContact CG1-CD1 4.32Å; I198-L202 WeakPolarHBondContact O-CB 3.33Å; I198-L202 WeakPolarHBondContact O-CD1 3.5Å; I198-L202 WeakPolarHBondContact O-CG 3.35Å; I198-L202 PolarHBondContact O-N 3.04Å; I198-C473 HydrophobicContact CD1-CB 3.8Å; I198-I476 HydrophobicContact CD1-CG2 4.45Å
199	K	76.1	Confident	64.3	Low	145 Å²	145	98.8 Å²	98.8	63%	0.63	50%	0.5	S	S	*	.	H	α-helix	trans	-62.9	-37.6	172.9	-63.5	178.1	-178.9	172.3	0	113.3	G197 A203	G197-K199 PolarHBondContact O-N 3.33Å; G197-K199 VanDerWaalsContact O-N 3.1Å; K199-A203 WeakPolarHBondContact O-CB 3.49Å; K199-A203 PolarHBondContact O-N 3.02Å
200	E	78.9	Confident	67.1	Low	96 Å²	96	97.1 Å²	97.1	45%	0.449	48%	0.483	S	S	.	.	H	α-helix	trans	-72.9	-45.4	179.7	-170.8	177.8	-167.5	0	0	110.4	Y196 G197 L202 A203 E204	Y196-E200 WeakPolarHBondContact CA-OE2 3.41Å; G197-E200 PolarHBondContact N-OE2 3.48Å; G197-E200 WeakPolarHBondContact O-CA 3.27Å; G197-E200 VanDerWaalsContact O-CB 3.31Å; G197-E200 WeakPolarHBondContact O-CB 3.46Å; G197-E200 PolarHBondContact O-N 2.66Å; E200-L202 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 3.43Å; E200-A203 WeakPolarHBondContact O-CB 3.27Å; E200-A203 PolarHBondContact O-N 3.21Å; E200-A203 VanDerWaalsContact O-N 3.09Å; E200-E204 PolarHBondContact O-N 2.94Å
201	K	78.4	Confident	69.5	Low	22 Å²	22	95 Å²	95	10%	0.096	46%	0.462	C	S	.	.	H	α-helix	trans	-65	-34	174.9	-70.8	-73	151.8	-159.5	0	113.2	G197 E204 M205 N469	G197-K201 PolarHBondContact O-N 3.25Å; K201-E204 WeakPolarHBondContact CE-OE1 3.15Å; K201-E204 IonicContact NZ-OE1 2.83Å; K201-E204 PolarHBondContact NZ-OE1 3.42Å; K201-E204 IonicContact NZ-OE2 2.77Å; K201-E204 PolarHBondContact NZ-OE2 2.82Å; K201-M205 WeakPolarHBondContact O-CG 3.36Å; K201-M205 PolarHBondContact O-N 3.2Å; K201-N469 HydrophobicContact CD-CB 4.16Å; K201-N469 WeakPolarHBondContact CD-OD1 3.31Å; K201-N469 PolarHBondContact NZ-OD1 3.41Å
202	L	79.3	Confident	72.2	Confident	94 Å²	94	92.7 Å²	92.7	49%	0.492	44%	0.443	S	S	.	.	H	α-helix	trans	-68.1	-37.2	170.4	-74.1	168.5	0	0	0	112.3	I198 E200 M205 E206	I198-L202 HydrophobicContact CG1-CD1 4.32Å; I198-L202 WeakPolarHBondContact O-CB 3.33Å; I198-L202 WeakPolarHBondContact O-CD1 3.5Å; I198-L202 WeakPolarHBondContact O-CG 3.35Å; I198-L202 PolarHBondContact O-N 3.04Å; E200-L202 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 3.43Å; L202-M205 PolarHBondContact O-N 2.97Å; L202-E206 PolarHBondContact O-N 3.48Å
203	A	81.7	Confident	74.7	Confident	57 Å²	57	85.5 Å²	85.5	47%	0.471	42%	0.419	S	S	.	.	H	α-helix	trans	-65.8	-41.1	174.1	0	0	0	0	0	112.1	K199 E200 M205 E206 T207	K199-A203 WeakPolarHBondContact O-CB 3.49Å; K199-A203 PolarHBondContact O-N 3.02Å; E200-A203 WeakPolarHBondContact O-CB 3.27Å; E200-A203 PolarHBondContact O-N 3.21Å; E200-A203 VanDerWaalsContact O-N 3.09Å; A203-M205 VanDerWaalsContact C-N 3.32Å; A203-M205 PolarHBondContact O-N 2.93Å; A203-E206 PolarHBondContact O-N 3.31Å; A203-T207 PolarHBondContact O-N 3.32Å
204	E	83.8	Confident	76.6	Confident	55 Å²	55	83.3 Å²	83.3	26%	0.257	41%	0.409	S	S	.	.	H	α-helix	trans	-62	-36.9	171.1	-68.8	174.1	-126.1	0	0	112.6	E200 K201 T207 F208 N469	E200-E204 PolarHBondContact O-N 2.94Å; K201-E204 WeakPolarHBondContact CE-OE1 3.15Å; K201-E204 IonicContact NZ-OE1 2.83Å; K201-E204 PolarHBondContact NZ-OE1 3.42Å; K201-E204 IonicContact NZ-OE2 2.77Å; K201-E204 PolarHBondContact NZ-OE2 2.82Å; E204-T207 PolarHBondContact O-OG1 2.93Å; E204-F208 WeakPolarHBondContact O-CD2 3.5Å; E204-F208 VanDerWaalsContact O-CG 3.27Å; E204-F208 WeakPolarHBondContact O-CG 3.16Å; E204-F208 PolarHBondContact O-N 2.86Å; E204-N469 VanDerWaalsContact CB-ND2 3.27Å; E204-N469 WeakPolarHBondContact CB-ND2 3.28Å; E204-N469 PolarHBondContact OE2-ND2 2.72Å; E204-N469 PolarHBondContact OE2-OD1 3.33Å
205	M	81.4	Confident	78.8	Confident	45 Å²	45	73.5 Å²	73.5	22%	0.222	37%	0.373	C	S	.	.	H	α-helix	trans	-69	-35.1	174.9	-75.5	175.2	59.7	0	0	112.6	K201 L202 A203 K209 N469 L470	K201-M205 WeakPolarHBondContact O-CG 3.36Å; K201-M205 PolarHBondContact O-N 3.2Å; L202-M205 PolarHBondContact O-N 2.97Å; A203-M205 VanDerWaalsContact C-N 3.32Å; A203-M205 PolarHBondContact O-N 2.93Å; M205-K209 WeakPolarHBondContact O-CB 3.29Å; M205-K209 PolarHBondContact O-N 2.89Å; M205-N469 HydrophobicContact CG-CB 4.09Å; M205-N469 HydrophobicContact SD-CB 4.42Å; M205-L470 HydrophobicContact CE-CD2 3.55Å; M205-L470 HydrophobicContact CE-CG 4.04Å; M205-L470 HydrophobicContact SD-CD2 4.12Å; M205-L470 HydrophobicContact SD-CG 4.37Å
206	E	82.7	Confident	80.8	Confident	88 Å²	88	72.8 Å²	72.8	41%	0.411	37%	0.372	S	S	.	.	H	α-helix	trans	-69.9	-37.8	175.7	-170.7	63.5	-156.8	0	0	111.4	L202 A203 K209 E210	L202-E206 PolarHBondContact O-N 3.48Å; A203-E206 PolarHBondContact O-N 3.31Å; E206-K209 WeakPolarHBondContact O-CB 3.22Å; E206-K209 PolarHBondContact O-N 2.99Å; E206-K209 IonicContact OE1-NZ 2.63Å; E206-K209 PolarHBondContact OE1-NZ 3.48Å; E206-K209 WeakPolarHBondContact OE2-CD 3.15Å; E206-K209 IonicContact OE2-NZ 3.81Å; E206-K209 PolarHBondContact OE2-NZ 2.88Å; E206-E210 PolarHBondContact O-N 3.11Å
207	T	85.6	Confident	82.1	Confident	71 Å²	71	72.2 Å²	72.2	44%	0.436	38%	0.377	S	S	.	.	H	α-helix	trans	-68.9	-38	172.7	59.2	0	0	0	0	112.5	A203 E204 K209 E210 I211	A203-T207 PolarHBondContact O-N 3.32Å; E204-T207 PolarHBondContact O-OG1 2.93Å; T207-K209 VanDerWaalsContact C-N 3.32Å; T207-K209 PolarHBondContact O-N 2.7Å; T207-E210 PolarHBondContact O-N 2.87Å; T207-I211 WeakPolarHBondContact O-CD1 3.42Å; T207-I211 VanDerWaalsContact O-CG1 3.28Å; T207-I211 WeakPolarHBondContact O-CG1 3.34Å; T207-I211 PolarHBondContact O-N 2.8Å
208	F	88	Confident	82.6	Confident	45 Å²	45	73.3 Å²	73.3	20%	0.197	38%	0.379	C	S	.	.	H	α-helix	trans	-60.5	-40.9	170.9	-70.2	-36.8	0	0	0	112.3	E204 I211 L212 I462 G465 I466	E204-F208 WeakPolarHBondContact O-CD2 3.5Å; E204-F208 VanDerWaalsContact O-CG 3.27Å; E204-F208 WeakPolarHBondContact O-CG 3.16Å; E204-F208 PolarHBondContact O-N 2.86Å; F208-I211 PolarHBondContact O-N 2.84Å; F208-L212 WeakPolarHBondContact O-CG 3.43Å; F208-L212 PolarHBondContact O-N 2.84Å; F208-I462 HydrophobicContact CB-CG2 3.8Å; F208-I462 HydrophobicContact CD1-CG2 3.94Å; F208-I462 HydrophobicContact CG-CG2 4.08Å; F208-G465 VanDerWaalsContact CE2-C 3.49Å; F208-I466 HydrophobicContact CB-CD1 3.95Å; F208-I466 HydrophobicContact CB-CG1 3.64Å; F208-I466 HydrophobicContact CD2-CG1 3.7Å; F208-I466 HydrophobicContact CG-CG1 3.95Å
209	K	87.1	Confident	82.8	Confident	105 Å²	105	72.8 Å²	72.8	46%	0.457	38%	0.377	S	S	.	.	H	α-helix	trans	-62.7	-45.3	173.8	168.4	-171.7	162.1	-141.7	0	111.9	M205 E206 T207 I211 L212 C213	M205-K209 WeakPolarHBondContact O-CB 3.29Å; M205-K209 PolarHBondContact O-N 2.89Å; E206-K209 WeakPolarHBondContact O-CB 3.22Å; E206-K209 PolarHBondContact O-N 2.99Å; E206-K209 IonicContact OE1-NZ 2.63Å; E206-K209 PolarHBondContact OE1-NZ 3.48Å; E206-K209 WeakPolarHBondContact OE2-CD 3.15Å; E206-K209 IonicContact OE2-NZ 3.81Å; E206-K209 PolarHBondContact OE2-NZ 2.88Å; T207-K209 VanDerWaalsContact C-N 3.32Å; T207-K209 PolarHBondContact O-N 2.7Å; K209-I211 VanDerWaalsContact C-N 3.31Å; K209-I211 PolarHBondContact O-N 2.62Å; K209-L212 PolarHBondContact O-N 2.83Å; K209-C213 PolarHBondContact O-N 3.09Å; K209-C213 PolarHBondContact O-SG 3.37Å
210	E	86.6	Confident	83	Confident	93 Å²	93	70.6 Å²	70.6	44%	0.435	37%	0.369	S	S	.	.	H	α-helix	trans	-56.9	-43.4	174.7	-86.9	-164.7	-137.3	0	0	112.6	E206 T207 C213 K214	E206-E210 PolarHBondContact O-N 3.11Å; T207-E210 PolarHBondContact O-N 2.87Å; E210-C213 PolarHBondContact O-N 2.95Å; E210-K214 WeakPolarHBondContact O-CD 3.15Å; E210-K214 WeakPolarHBondContact O-CG 3.45Å; E210-K214 PolarHBondContact O-N 2.99Å; E210-K214 IonicContact OE2-NZ 4Å; E210-K214 PolarHBondContact OE2-NZ 2.82Å
211	I	86.4	Confident	82.8	Confident	72 Å²	72	68.9 Å²	68.9	37%	0.369	37%	0.371	S	S	.	.	H	α-helix	trans	-66.6	-44.8	179.6	-61.3	160.4	0	0	0	110	T207 F208 K209 C213 K214 Q215 I462	T207-I211 WeakPolarHBondContact O-CD1 3.42Å; T207-I211 VanDerWaalsContact O-CG1 3.28Å; T207-I211 WeakPolarHBondContact O-CG1 3.34Å; T207-I211 PolarHBondContact O-N 2.8Å; F208-I211 PolarHBondContact O-N 2.84Å; K209-I211 VanDerWaalsContact C-N 3.31Å; K209-I211 PolarHBondContact O-N 2.62Å; I211-C213 VanDerWaalsContact C-N 3.34Å; I211-C213 PolarHBondContact O-N 3.35Å; I211-K214 PolarHBondContact O-N 3.46Å; I211-Q215 HydrophobicContact CG2-CG 4.46Å; I211-Q215 WeakPolarHBondContact O-CG 3.23Å; I211-Q215 PolarHBondContact O-N 2.78Å; I211-I462 HydrophobicContact CB-CD1 4.26Å; I211-I462 HydrophobicContact CG2-CD1 3.47Å; I211-I462 VanDerWaalsContact CG2-CD1 3.47Å; I211-I462 HydrophobicContact CG2-CG1 4.46Å
212	L	85.9	Confident	82.7	Confident	36 Å²	36	70.7 Å²	70.7	19%	0.188	38%	0.378	C	S	.	.	H	α-helix	trans	-60.3	-40.4	175.7	-72.6	176.1	0	0	0	112.6	F208 K209 Q215 V216 F459 I462 I466	F208-L212 WeakPolarHBondContact O-CG 3.43Å; F208-L212 PolarHBondContact O-N 2.84Å; K209-L212 PolarHBondContact O-N 2.83Å; L212-Q215 PolarHBondContact O-N 2.78Å; L212-V216 WeakPolarHBondContact O-CG2 3.39Å; L212-V216 PolarHBondContact O-N 2.82Å; L212-F459 HydrophobicContact CD2-CD2 3.57Å; L212-F459 HydrophobicContact CD2-CE2 3.79Å; L212-I462 HydrophobicContact CD1-CG2 4.11Å; L212-I462 HydrophobicContact CD2-CB 4.34Å; L212-I462 HydrophobicContact CD2-CD1 4.38Å; L212-I462 HydrophobicContact CD2-CG2 4Å; L212-I462 HydrophobicContact CG-CG2 3.79Å; L212-I466 HydrophobicContact CD1-CD1 3.6Å
213	C	86.2	Confident	82.7	Confident	64 Å²	64	71.2 Å²	71.2	43%	0.432	38%	0.376	S	S	.	.	H	α-helix	trans	-59.7	-51.1	173.5	-69.2	0	0	0	0	110.9	K209 E210 I211 Q215 V216 D217	K209-C213 PolarHBondContact O-N 3.09Å; K209-C213 PolarHBondContact O-SG 3.37Å; E210-C213 PolarHBondContact O-N 2.95Å; I211-C213 VanDerWaalsContact C-N 3.34Å; I211-C213 PolarHBondContact O-N 3.35Å; C213-Q215 VanDerWaalsContact C-N 3.3Å; C213-Q215 PolarHBondContact O-N 2.7Å; C213-V216 PolarHBondContact O-N 3.04Å; C213-D217 PolarHBondContact O-N 2.87Å
214	K	83.4	Confident	82.4	Confident	120 Å²	120	72.2 Å²	72.2	52%	0.522	37%	0.374	S	S	.	.	H	α-helix	trans	-59.9	-36.4	179	-69.8	160.5	-173.1	160.7	0	112.8	E210 I211 S218	E210-K214 WeakPolarHBondContact O-CD 3.15Å; E210-K214 WeakPolarHBondContact O-CG 3.45Å; E210-K214 PolarHBondContact O-N 2.99Å; E210-K214 IonicContact OE2-NZ 4Å; E210-K214 PolarHBondContact OE2-NZ 2.82Å; I211-K214 PolarHBondContact O-N 3.46Å; K214-S218 WeakPolarHBondContact O-CB 3.39Å; K214-S218 PolarHBondContact O-N 3.25Å
215	Q	81	Confident	81.7	Confident	18 Å²	18	71 Å²	71	8%	0.084	37%	0.373	C	S	.	.	H	α-helix	trans	-67	-42.7	172.8	-71.1	-173.5	-74.7	0	0	112.3	I211 L212 C213 S218 L219 E455	I211-Q215 HydrophobicContact CG2-CG 4.46Å; I211-Q215 WeakPolarHBondContact O-CG 3.23Å; I211-Q215 PolarHBondContact O-N 2.78Å; L212-Q215 PolarHBondContact O-N 2.78Å; C213-Q215 VanDerWaalsContact C-N 3.3Å; C213-Q215 PolarHBondContact O-N 2.7Å; Q215-S218 PolarHBondContact O-N 2.79Å; Q215-L219 WeakPolarHBondContact O-CD1 3.24Å; Q215-L219 PolarHBondContact O-N 3.37Å; Q215-E455 PolarHBondContact NE2-O 2.86Å; Q215-E455 PolarHBondContact NE2-OE2 2.63Å
216	V	84.2	Confident	81.2	Confident	89 Å²	89	70.7 Å²	70.7	54%	0.539	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-43.1	176.6	168.8	0	0	0	0	111.1	L212 C213 S218 L219 Q220	L212-V216 WeakPolarHBondContact O-CG2 3.39Å; L212-V216 PolarHBondContact O-N 2.82Å; C213-V216 PolarHBondContact O-N 3.04Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 2.91Å; V216-L219 PolarHBondContact O-N 3.08Å; V216-Q220 VanDerWaalsContact O-CB 3.29Å; V216-Q220 WeakPolarHBondContact O-CB 3.34Å; V216-Q220 PolarHBondContact O-N 2.97Å
217	D	83.5	Confident	80.8	Confident	102 Å²	102	68.8 Å²	68.8	55%	0.545	37%	0.371	S	S	.	.	H	α-helix	trans	-62.5	-40.5	176.7	-62.7	-32.9	0	0	0	111.3	C213 Q220 A221	C213-D217 PolarHBondContact O-N 2.87Å; D217-Q220 PolarHBondContact O-N 2.95Å; D217-A221 WeakPolarHBondContact O-CB 3.47Å; D217-A221 PolarHBondContact O-N 3Å
218	S	77.4	Confident	79.9	Confident	55 Å²	55	66.3 Å²	66.3	39%	0.385	36%	0.358	S	S	.	.	H	α-helix	trans	-62.7	-48.4	174.1	-173.3	0	0	0	0	112.3	K214 Q215 V216 Q220 A221 Y222	K214-S218 WeakPolarHBondContact O-CB 3.39Å; K214-S218 PolarHBondContact O-N 3.25Å; Q215-S218 PolarHBondContact O-N 2.79Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 2.91Å; S218-Q220 VanDerWaalsContact C-N 3.34Å; S218-Q220 PolarHBondContact O-N 3.48Å; S218-A221 PolarHBondContact O-N 3.3Å; S218-Y222 PolarHBondContact O-N 2.7Å
219	L	80.7	Confident	78.7	Confident	56 Å²	56	66 Å²	66	29%	0.293	36%	0.358	S	S	.	.	H	α-helix	trans	-59.5	-44.6	174.8	-101.1	70	0	0	0	111.6	Q215 V216 Y222 F223 M450 E455	Q215-L219 WeakPolarHBondContact O-CD1 3.24Å; Q215-L219 PolarHBondContact O-N 3.37Å; V216-L219 PolarHBondContact O-N 3.08Å; L219-Y222 PolarHBondContact O-N 3Å; L219-F223 HydrophobicContact CB-CE2 4.32Å; L219-F223 HydrophobicContact CD2-CE2 4.39Å; L219-F223 HydrophobicContact CG-CE2 4.33Å; L219-F223 WeakPolarHBondContact O-CD2 3.48Å; L219-F223 PolarHBondContact O-N 3.27Å; L219-M450 HydrophobicContact CD1-CE 3.79Å; L219-M450 HydrophobicContact CD1-SD 3.8Å; L219-M450 HydrophobicContact CG-CE 3.8Å; L219-M450 HydrophobicContact CG-SD 4.32Å; L219-E455 HydrophobicContact CD1-CG 4.48Å
220	Q	80.4	Confident	77.8	Confident	99 Å²	99	66.5 Å²	66.5	46%	0.463	37%	0.369	S	S	.	.	H	α-helix	trans	-62.5	-47.4	179.9	-175.4	58.5	50.5	0	0	110.8	V216 D217 S218 Y222 F223 D224	V216-Q220 VanDerWaalsContact O-CB 3.29Å; V216-Q220 WeakPolarHBondContact O-CB 3.34Å; V216-Q220 PolarHBondContact O-N 2.97Å; D217-Q220 PolarHBondContact O-N 2.95Å; S218-Q220 VanDerWaalsContact C-N 3.34Å; S218-Q220 PolarHBondContact O-N 3.48Å; Q220-Y222 VanDerWaalsContact C-N 3.31Å; Q220-Y222 PolarHBondContact O-N 2.75Å; Q220-F223 PolarHBondContact O-N 2.97Å; Q220-D224 PolarHBondContact NE2-OD1 3.43Å; Q220-D224 PolarHBondContact NE2-OD2 2.66Å; Q220-D224 WeakPolarHBondContact O-CB 3.46Å; Q220-D224 PolarHBondContact O-N 2.96Å
221	A	76.2	Confident	76.9	Confident	61 Å²	61	68.7 Å²	68.7	50%	0.504	38%	0.38	S	S	.	.	H	α-helix	trans	-59.4	-38.8	175.7	0	0	0	0	0	112.8	D217 S218 A225	D217-A221 WeakPolarHBondContact O-CB 3.47Å; D217-A221 PolarHBondContact O-N 3Å; S218-A221 PolarHBondContact O-N 3.3Å; A221-A225 WeakPolarHBondContact O-CB 3.3Å; A221-A225 PolarHBondContact O-N 3.49Å
222	Y	75.7	Confident	75.5	Confident	60 Å²	60	72 Å²	72	24%	0.235	39%	0.394	C	S	.	.	H	α-helix	trans	-64.5	-45.8	174.1	179.4	-88.8	0	0	0	112.3	S218 L219 Q220 A225 C226 M450 F452	S218-Y222 PolarHBondContact O-N 2.7Å; L219-Y222 PolarHBondContact O-N 3Å; Q220-Y222 VanDerWaalsContact C-N 3.31Å; Q220-Y222 PolarHBondContact O-N 2.75Å; Y222-A225 PolarHBondContact O-N 2.87Å; Y222-C226 PolarHBondContact O-N 3.43Å; Y222-M450 HydrophobicContact CD1-CE 3.82Å; Y222-M450 HydrophobicContact CD2-CB 3.99Å; Y222-M450 HydrophobicContact CD2-CE 4.33Å; Y222-M450 HydrophobicContact CE2-CB 4.3Å; Y222-M450 HydrophobicContact CG-CB 4.47Å; Y222-M450 HydrophobicContact CG-CE 3.7Å; Y222-M450 HydrophobicContact CG-SD 4.27Å; Y222-F452 AromaticContact CD1-CZ 3.91Å; Y222-F452 HydrophobicContact CD1-CZ 3.91Å; Y222-F452 AromaticContact CE1-CE2 3.96Å; Y222-F452 HydrophobicContact CE1-CE2 3.96Å; Y222-F452 AromaticContact CE1-CZ 3.63Å; Y222-F452 HydrophobicContact CE1-CZ 3.63Å
223	F	78.4	Confident	73.7	Confident	105 Å²	105	73.4 Å²	73.4	46%	0.461	42%	0.416	S	S	.	.	H	α-helix	trans	-68.1	-36.3	178.2	-71.1	-56.2	0	0	0	112.6	L219 Q220 C226 S227 F452	L219-F223 HydrophobicContact CB-CE2 4.32Å; L219-F223 HydrophobicContact CD2-CE2 4.39Å; L219-F223 HydrophobicContact CG-CE2 4.33Å; L219-F223 WeakPolarHBondContact O-CD2 3.48Å; L219-F223 PolarHBondContact O-N 3.27Å; Q220-F223 PolarHBondContact O-N 2.97Å; F223-C226 PolarHBondContact O-N 3.01Å; F223-S227 VanDerWaalsContact O-CB 3.31Å; F223-S227 WeakPolarHBondContact O-CB 3.37Å; F223-S227 PolarHBondContact O-N 3.03Å; F223-F452 HydrophobicContact CZ-CE1 4.12Å; F223-F452 HydrophobicContact CZ-CZ 4.4Å
224	D	76.9	Confident	72	Confident	78 Å²	78	72.6 Å²	72.6	42%	0.417	42%	0.419	S	S	.	.	H	α-helix	trans	-67.5	-38.2	174.5	-72.7	-30.8	0	0	0	111.7	Q220 S227 A228	Q220-D224 PolarHBondContact NE2-OD1 3.43Å; Q220-D224 PolarHBondContact NE2-OD2 2.66Å; Q220-D224 WeakPolarHBondContact O-CB 3.46Å; Q220-D224 PolarHBondContact O-N 2.96Å; D224-S227 PolarHBondContact O-N 2.94Å; D224-A228 WeakPolarHBondContact O-CB 3.14Å; D224-A228 PolarHBondContact O-N 3.39Å
225	A	68.5	Low	70.3	Confident	28 Å²	28	72.4 Å²	72.4	23%	0.231	42%	0.42	C	S	.	.	H	α-helix	trans	-62.7	-44.6	171.5	0	0	0	0	0	111.9	A221 Y222 S227 A228 I229	A221-A225 WeakPolarHBondContact O-CB 3.3Å; A221-A225 PolarHBondContact O-N 3.49Å; Y222-A225 PolarHBondContact O-N 2.87Å; A225-S227 PolarHBondContact O-N 2.95Å; A225-A228 PolarHBondContact O-N 3.42Å; A225-I229 WeakPolarHBondContact O-CD1 3.32Å; A225-I229 VanDerWaalsContact O-CG1 3.26Å; A225-I229 WeakPolarHBondContact O-CG1 3.25Å; A225-I229 PolarHBondContact O-N 2.9Å
226	C	71.4	Confident	69	Low	39 Å²	39	78.2 Å²	78.2	26%	0.264	45%	0.451	S	S	.	.	H	α-helix	trans	-61.2	-42.1	173.4	-77.3	0	0	0	0	112.4	Y222 F223 I229 V230	Y222-C226 PolarHBondContact O-N 3.43Å; F223-C226 PolarHBondContact O-N 3.01Å; C226-I229 PolarHBondContact O-N 2.94Å; C226-V230 WeakPolarHBondContact O-CG2 3.44Å; C226-V230 PolarHBondContact O-N 2.91Å; C226-V230 VanDerWaalsContact O-N 3.07Å
227	S	73.8	Confident	67.5	Low	48 Å²	48	80.1 Å²	80.1	34%	0.336	46%	0.458	S	S	.	.	H	α-helix	trans	-63.2	-43.9	176.2	-170.4	0	0	0	0	111.7	F223 D224 A225 I229 V230 Q231	F223-S227 VanDerWaalsContact O-CB 3.31Å; F223-S227 WeakPolarHBondContact O-CB 3.37Å; F223-S227 PolarHBondContact O-N 3.03Å; D224-S227 PolarHBondContact O-N 2.94Å; A225-S227 PolarHBondContact O-N 2.95Å; S227-I229 PolarHBondContact O-N 3.36Å; S227-V230 PolarHBondContact O-N 2.97Å; S227-Q231 WeakPolarHBondContact O-CB 3.21Å; S227-Q231 WeakPolarHBondContact O-CG 3.28Å; S227-Q231 PolarHBondContact O-N 3.42Å; S227-Q231 PolarHBondContact OG-NE2 3.2Å
228	A	67.5	Low	65.9	Low	19 Å²	19	76.9 Å²	76.9	16%	0.157	44%	0.441	C	S	.	.	H	α-helix	trans	-61.2	-41.8	176.1	0	0	0	0	0	112	D224 A225 V230 Q231 H232	D224-A228 WeakPolarHBondContact O-CB 3.14Å; D224-A228 PolarHBondContact O-N 3.39Å; A225-A228 PolarHBondContact O-N 3.42Å; A228-V230 VanDerWaalsContact C-N 3.34Å; A228-V230 PolarHBondContact O-N 2.81Å; A228-Q231 PolarHBondContact O-N 3.26Å; A228-H232 WeakPolarHBondContact O-CB 3.38Å; A228-H232 PolarHBondContact O-N 2.85Å
229	I	62.1	Low	64.5	Low	40 Å²	40	81.3 Å²	81.3	21%	0.205	46%	0.456	C	S	.	.	H	α-helix	trans	-66.2	-35.5	176.4	-64.3	162.4	0	0	0	111.6	A225 C226 S227 L238 L438	A225-I229 WeakPolarHBondContact O-CD1 3.32Å; A225-I229 VanDerWaalsContact O-CG1 3.26Å; A225-I229 WeakPolarHBondContact O-CG1 3.25Å; A225-I229 PolarHBondContact O-N 2.9Å; C226-I229 PolarHBondContact O-N 2.94Å; S227-I229 PolarHBondContact O-N 3.36Å; I229-L238 HydrophobicContact CD1-CD2 4.23Å; I229-L238 HydrophobicContact CG1-CD1 4.01Å; I229-L238 HydrophobicContact CG1-CD2 3.96Å; I229-L438 HydrophobicContact CG2-CD1 3.66Å; I229-L438 HydrophobicContact CG2-CG 4.35Å
230	V	67	Low	63.1	Low	114 Å²	114	87.8 Å²	87.8	69%	0.691	48%	0.476	S	S	*	.	H	α-helix	trans	-71.4	-37.2	176.5	169.8	0	0	0	0	112.1	C226 S227 A228	C226-V230 WeakPolarHBondContact O-CG2 3.44Å; C226-V230 PolarHBondContact O-N 2.91Å; C226-V230 VanDerWaalsContact O-N 3.07Å; S227-V230 PolarHBondContact O-N 2.97Å; A228-V230 VanDerWaalsContact C-N 3.34Å; A228-V230 PolarHBondContact O-N 2.81Å
231	Q	68.8	Low	61.6	Low	139 Å²	139	89.6 Å²	89.6	65%	0.65	48%	0.479	S	S	*	.	H	α-helix	trans	-80.6	-46.7	-179.4	-68.3	-178.7	59.7	0	0	112.6	S227 A228 G233	S227-Q231 WeakPolarHBondContact O-CB 3.21Å; S227-Q231 WeakPolarHBondContact O-CG 3.28Å; S227-Q231 PolarHBondContact O-N 3.42Å; S227-Q231 PolarHBondContact OG-NE2 3.2Å; A228-Q231 PolarHBondContact O-N 3.26Å; Q231-G233 PolarHBondContact O-N 3.05Å
232	H	57	Low	60.4	Low	143 Å²	143	89.5 Å²	89.5	66%	0.662	47%	0.47	S	S	*	.			trans	-93.5	72.6	-177.9	-63.4	-70.9	0	0	0	111.3	A228 G234	A228-H232 WeakPolarHBondContact O-CB 3.38Å; A228-H232 PolarHBondContact O-N 2.85Å; H232-G234 PolarHBondContact O-N 2.94Å
233	G	48.7	Very low	59.3	Low	65 Å²	65	90.7 Å²	90.7	67%	0.67	48%	0.483	S	S	*	.			trans	-69.9	42.1	176.4	0	0	0	0	0	115.6	Q231	Q231-G233 PolarHBondContact O-N 3.05Å
234	G	49	Very low	57.9	Low	47 Å²	47	88 Å²	88	49%	0.485	48%	0.475	S	S	.	.			trans	-129.1	126.9	175.4	0	0	0	0	0	110.3	H232 D236	H232-G234 PolarHBondContact O-N 2.94Å; G234-D236 VanDerWaalsContact C-N 3.29Å; G234-D236 PolarHBondContact O-N 3.38Å
235	H	49.2	Very low	56.5	Low	116 Å²	116	87.4 Å²	87.4	54%	0.537	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-14.3	-158.9	-158.8	-95.2	0	0	0	114.5	R440	H235-R440 PolarHBondContact NE2-NH2 3.04Å
236	D	53.9	Low	55.3	Low	140 Å²	140	91.6 Å²	91.6	75%	0.749	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-0.1	-155.2	-42.4	-59.8	0	0	0	115.4	G234	G234-D236 VanDerWaalsContact C-N 3.29Å; G234-D236 PolarHBondContact O-N 3.38Å
237	N	52.3	Low	53.8	Low	128 Å²	128	94 Å²	94	68%	0.684	52%	0.515	S	S	*	.	S	Bend	trans	-110.1	-14.6	-179.6	-80.3	-50.9	0	0	0	114.5	R240 W241	N237-R240 PolarHBondContact O-N 2.67Å; N237-W241 PolarHBondContact O-N 3.27Å; N237-W241 VanDerWaalsContact O-N 3.13Å
238	L	48.9	Very low	51.8	Low	35 Å²	35	98.8 Å²	98.8	18%	0.183	53%	0.532	C	S	.	.	H	α-helix	trans	-67.3	-41.2	-171.9	-166.2	74.3	0	0	0	112.5	I229 R240 W241 L242 I441	I229-L238 HydrophobicContact CD1-CD2 4.23Å; I229-L238 HydrophobicContact CG1-CD1 4.01Å; I229-L238 HydrophobicContact CG1-CD2 3.96Å; L238-R240 VanDerWaalsContact C-N 3.27Å; L238-R240 PolarHBondContact O-N 2.68Å; L238-W241 PolarHBondContact O-N 3.23Å; L238-L242 HydrophobicContact CD2-CD1 4.24Å; L238-L242 HydrophobicContact CG-CD1 3.94Å; L238-L242 HydrophobicContact CG-CG 4.32Å; L238-L242 WeakPolarHBondContact O-CG 3.49Å; L238-L242 PolarHBondContact O-N 3.24Å; L238-I441 HydrophobicContact CD2-CG2 4.03Å
239	E	48.8	Very low	50.2	Low	148 Å²	148	103.2 Å²	103.2	69%	0.692	56%	0.557	S	S	*	*	H	α-helix	trans	-58.9	-38.2	178.8	-171.9	174.6	-119.3	0	0	111.9	T243	E239-T243 WeakPolarHBondContact O-CG2 3.31Å; E239-T243 PolarHBondContact O-N 2.89Å; E239-T243 PolarHBondContact O-OG1 2.84Å
240	R	50.5	Low	48.7	Very low	192 Å²	192	109.7 Å²	109.7	73%	0.725	59%	0.586	S	S	*	*	H	α-helix	trans	-72.7	-37.4	173.9	-166	175.8	-164.3	149.5	8.4	112.5	N237 L238 T243 T244	N237-R240 PolarHBondContact O-N 2.67Å; L238-R240 VanDerWaalsContact C-N 3.27Å; L238-R240 PolarHBondContact O-N 2.68Å; R240-T243 WeakPolarHBondContact CA-OG1 3.46Å; R240-T243 PolarHBondContact O-OG1 3.05Å; R240-T243 VanDerWaalsContact O-OG1 3.09Å; R240-T244 WeakPolarHBondContact O-CB 3.47Å; R240-T244 PolarHBondContact O-N 3.11Å; R240-T244 PolarHBondContact O-OG1 3.37Å
241	W	50	Low	46.9	Very low	136 Å²	136	109.5 Å²	109.5	52%	0.515	59%	0.59	S	S	.	*	H	α-helix	trans	-68.6	-48	-178.8	-160.9	79.7	0	0	0	111.6	N237 L238 T243 T244 T245	N237-W241 PolarHBondContact O-N 3.27Å; N237-W241 VanDerWaalsContact O-N 3.13Å; L238-W241 PolarHBondContact O-N 3.23Å; W241-T243 VanDerWaalsContact C-N 3.33Å; W241-T243 PolarHBondContact O-N 3.18Å; W241-T244 WeakPolarHBondContact O-CA 3.38Å; W241-T244 PolarHBondContact O-N 2.96Å; W241-T245 HydrophobicContact CD2-CG2 4.17Å; W241-T245 HydrophobicContact CE3-CG2 4.23Å; W241-T245 HydrophobicContact CH2-CG2 3.82Å; W241-T245 HydrophobicContact CZ2-CG2 3.71Å; W241-T245 HydrophobicContact CZ3-CG2 4.07Å; W241-T245 PolarHBondContact O-N 3.22Å; W241-T245 PolarHBondContact O-OG1 2.98Å
242	L	49.4	Very low	45	Very low	60 Å²	60	109.6 Å²	109.6	31%	0.314	60%	0.6	S	S	.	*	H	α-helix	trans	-62.8	-34.8	-179.9	-67.9	171.4	0	0	0	113.5	L238 T244 T246	L238-L242 HydrophobicContact CD2-CD1 4.24Å; L238-L242 HydrophobicContact CG-CD1 3.94Å; L238-L242 HydrophobicContact CG-CG 4.32Å; L238-L242 WeakPolarHBondContact O-CG 3.49Å; L238-L242 PolarHBondContact O-N 3.24Å; L242-T244 VanDerWaalsContact C-N 3.33Å; L242-T246 PolarHBondContact O-OG1 3.34Å
243	T	53.6	Low	43.7	Very low	84 Å²	84	114.1 Å²	114.1	52%	0.515	61%	0.611	S	S	.	*	H	α-helix	trans	-74.9	-22.2	173.4	47.3	0	0	0	0	113.1	E239 R240 W241 T246 S247	E239-T243 WeakPolarHBondContact O-CG2 3.31Å; E239-T243 PolarHBondContact O-N 2.89Å; E239-T243 PolarHBondContact O-OG1 2.84Å; R240-T243 WeakPolarHBondContact CA-OG1 3.46Å; R240-T243 PolarHBondContact O-OG1 3.05Å; R240-T243 VanDerWaalsContact O-OG1 3.09Å; W241-T243 VanDerWaalsContact C-N 3.33Å; W241-T243 PolarHBondContact O-N 3.18Å; T243-T246 PolarHBondContact O-OG1 2.88Å; T243-S247 WeakPolarHBondContact O-CB 3.4Å; T243-S247 PolarHBondContact O-OG 2.72Å
244	T	48.6	Very low	42.9	Very low	48 Å²	48	116.1 Å²	116.1	29%	0.294	62%	0.615	S	S	.	*	H	α-helix	trans	-84.7	-45	176.7	-52.7	0	0	0	0	111.7	R240 W241 L242 T246 S247 E248	R240-T244 WeakPolarHBondContact O-CB 3.47Å; R240-T244 PolarHBondContact O-N 3.11Å; R240-T244 PolarHBondContact O-OG1 3.37Å; W241-T244 WeakPolarHBondContact O-CA 3.38Å; W241-T244 PolarHBondContact O-N 2.96Å; L242-T244 VanDerWaalsContact C-N 3.33Å; T244-T246 PolarHBondContact O-N 2.94Å; T244-S247 CarbonylContact O-C 3.59Å; T244-S247 PolarHBondContact O-N 2.86Å; T244-E248 HydrophobicContact CG2-CB 4.14Å; T244-E248 HydrophobicContact CG2-CG 3.86Å; T244-E248 VanDerWaalsContact CG2-OE2 3.31Å; T244-E248 WeakPolarHBondContact CG2-OE2 3.36Å; T244-E248 PolarHBondContact O-N 3.19Å
245	T	47.3	Very low	42	Very low	66 Å²	66	118.8 Å²	118.8	41%	0.405	63%	0.626	S	S	.	*	H	α-helix	trans	-69.1	-18	-179.3	36.9	0	0	0	0	114.5	W241	W241-T245 HydrophobicContact CD2-CG2 4.17Å; W241-T245 HydrophobicContact CE3-CG2 4.23Å; W241-T245 HydrophobicContact CH2-CG2 3.82Å; W241-T245 HydrophobicContact CZ2-CG2 3.71Å; W241-T245 HydrophobicContact CZ3-CG2 4.07Å; W241-T245 PolarHBondContact O-N 3.22Å; W241-T245 PolarHBondContact O-OG1 2.98Å
246	T	44.1	Very low	41.2	Very low	116 Å²	116	118.5 Å²	118.5	71%	0.712	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-7.3	169.1	44	0	0	0	0	113.8	L242 T243 T244	L242-T246 PolarHBondContact O-OG1 3.34Å; T243-T246 PolarHBondContact O-OG1 2.88Å; T244-T246 PolarHBondContact O-N 2.94Å
247	S	38.5	Very low	40.2	Very low	90 Å²	90	117 Å²	117	63%	0.629	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.4	-21	-172.7	-54.1	0	0	0	0	114.9	T243 T244	T243-S247 WeakPolarHBondContact O-CB 3.4Å; T243-S247 PolarHBondContact O-OG 2.72Å; T244-S247 CarbonylContact O-C 3.59Å; T244-S247 PolarHBondContact O-N 2.86Å
248	E	33.3	Very low	39.3	Very low	149 Å²	149	116.1 Å²	116.1	70%	0.696	64%	0.642	S	S	*	*			trans	-120.6	34.7	-169.6	-63.1	-161.9	159.4	0	0	115.3	T244 H250	T244-E248 HydrophobicContact CG2-CB 4.14Å; T244-E248 HydrophobicContact CG2-CG 3.86Å; T244-E248 VanDerWaalsContact CG2-OE2 3.31Å; T244-E248 WeakPolarHBondContact CG2-OE2 3.36Å; T244-E248 PolarHBondContact O-N 3.19Å; E248-H250 PolarHBondContact O-N 3.01Å
249	T	33.2	Very low	38.2	Very low	112 Å²	112	119.5 Å²	119.5	69%	0.687	67%	0.667	S	S	*	*	S	Bend	trans	-81	90.3	159.7	44.2	0	0	0	0	110.3
250	H	30.7	Very low	37.5	Very low	175 Å²	175	117.9 Å²	117.9	81%	0.81	67%	0.672	S	S	*	*	S	Bend	trans	71.9	117.6	-176.2	-43.5	-80.2	0	0	0	113.3	E248	E248-H250 PolarHBondContact O-N 3.01Å
251	S	28.5	Very low	36.3	Very low	110 Å²	110	114.5 Å²	114.5	77%	0.769	68%	0.678	S	S	*	*			cis	-158.3	120.8	36.8	-61.3	0	0	0	0	115.3
252	T	30.2	Very low	35.5	Very low	141 Å²	141	113.8 Å²	113.8	87%	0.865	69%	0.691	S	S	*	*			trans	-136	158	132	68.2	0	0	0	0	107
253	R	28.6	Very low	34.6	Very low	238 Å²	238	116.1 Å²	116.1	90%	0.898	71%	0.712	S	S	*	*	S	Bend	cis	-150.4	56.9	22.5	-167.3	172.8	169.6	174.9	-3.8	112.2
254	S	31.6	Very low	33.4	Very low	107 Å²	107	123.5 Å²	123.5	75%	0.748	73%	0.732	S	S	*	*			trans	-170.6	141.4	175.6	49.4	0	0	0	0	109.7
255	S	31.6	Very low	32.6	Very low	104 Å²	104	132 Å²	132	73%	0.727	76%	0.76	S	S	*	*			cis	-157.7	170	-9.6	-84	0	0	0	0	109	S257	S255-S257 PolarHBondContact O-N 3.33Å; S255-S257 VanDerWaalsContact O-N 3.15Å
256	S	30.9	Very low	31.9	Very low	109 Å²	109	133.4 Å²	133.4	76%	0.762	77%	0.773	S	S	*	*			trans	13.5	82.5	166.8	56	0	0	0	0	116.4
257	S	32.9	Very low	31.6	Very low	110 Å²	110	137.6 Å²	137.6	77%	0.769	78%	0.781	S	S	*	*				54.6	121.5	76.5	80	0	0	0	0	114.3	S255	S255-S257 PolarHBondContact O-N 3.33Å; S255-S257 VanDerWaalsContact O-N 3.15Å
258	S	33.7	Very low	31.3	Very low	108 Å²	108	139.9 Å²	139.9	76%	0.755	79%	0.787	S	S	*	*			cis	-162.2	-157.2	-6.3	54.1	0	0	0	0	107.2
259	C	26.7	Very low	31.5	Very low	106 Å²	106	142.4 Å²	142.4	72%	0.716	80%	0.799	S	S	*	*			cis	-172	163.6	2.3	34.8	0	0	0	0	106.6
260	S	33	Very low	31.5	Very low	114 Å²	114	143.4 Å²	143.4	80%	0.797	80%	0.804	S	S	*	*			cis	-172.1	157.5	-22	-81.2	0	0	0	0	107.5
261	S	26.5	Very low	31.5	Very low	122 Å²	122	144.6 Å²	144.6	85%	0.853	81%	0.813	S	S	*	*			trans	-127.7	146.8	-179.7	-59.8	0	0	0	0	113.1
262	P	33.1	Very low	31.5	Very low	120 Å²	120	145 Å²	145	78%	0.779	81%	0.807	S	S	*	*			trans	-105.8	176.9	174.1	40	-33.5	0	0	0	112.5
263	S	29.3	Very low	31.7	Very low	109 Å²	109	149.3 Å²	149.3	76%	0.762	81%	0.809	S	S	*	*			cis	176.7	141	-40.3	60.6	0	0	0	0	106.8
264	Y	29.7	Very low	31.8	Very low	240 Å²	240	142.6 Å²	142.6	94%	0.941	79%	0.794	S	S	*	*			trans	-140.9	152.2	169	-124.9	-91.4	0	0	0	110.5
265	Y	32.3	Very low	31.8	Very low	225 Å²	225	143.8 Å²	143.8	88%	0.882	80%	0.796	S	S	*	*			trans	-136.2	145.2	-173.9	-144.7	-83.3	0	0	0	110.9
266	S	31.9	Very low	31.9	Very low	96 Å²	96	144.2 Å²	144.2	67%	0.671	80%	0.795	S	S	*	*			trans	-83.1	159.8	-168.8	-40.3	0	0	0	0	114.6
267	K	36.7	Very low	32.1	Very low	204 Å²	204	144 Å²	144	89%	0.887	79%	0.791	S	S	*	*			trans	-161	143.5	131.7	-116.4	179.4	-179.6	-170.6	0	113.2
268	D	33.4	Very low	32.4	Very low	139 Å²	139	146 Å²	146	74%	0.743	79%	0.793	S	S	*	*			trans	-92.1	160.5	179.7	-41.2	-95.6	0	0	0	112.2
269	E	36.1	Very low	32.6	Very low	202 Å²	202	147.9 Å²	147.9	94%	0.944	80%	0.795	S	S	*	*			trans	-160.8	155.5	133.9	-115.1	167.1	-145.9	0	0	111
270	T	33.5	Very low	33.3	Very low	132 Å²	132	150 Å²	150	81%	0.81	80%	0.799	S	S	*	*			trans	-117.1	148.8	-160.6	53.3	0	0	0	0	114.1
271	M	31.3	Very low	33.8	Very low	201 Å²	201	151.9 Å²	151.9	99%	0.99	80%	0.8	S	S	*	*			trans	-153.3	160.9	142.3	-121.7	174.1	-179.9	0	0	113.1
272	D	29.1	Very low	34.5	Very low	119 Å²	119	153.3 Å²	153.3	64%	0.636	80%	0.798	S	S	*	*			trans	-119.1	160.4	-160.8	177	31.5	0	0	0	111.9
273	Y	34.8	Very low	34.8	Very low	231 Å²	231	154.7 Å²	154.7	91%	0.906	80%	0.799	S	S	*	*			trans	-173.1	149.4	142.1	-100.5	-60.8	0	0	0	112.2
274	T	30.2	Very low	35.1	Very low	97 Å²	97	157.3 Å²	157.3	60%	0.595	80%	0.799	S	S	*	*			trans	-125.6	154.2	-154.1	53.4	0	0	0	0	116.3
275	V	30.9	Very low	35.3	Very low	131 Å²	131	149.1 Å²	149.1	79%	0.794	79%	0.787	S	S	*	*			trans	71.8	142.8	146.7	161.4	0	0	0	0	115.5
276	T	33.2	Very low	35.4	Very low	113 Å²	113	144.9 Å²	144.9	69%	0.693	78%	0.78	S	S	*	*			cis	-134	165.3	35.4	52.1	0	0	0	0	116.5
277	P	36.6	Very low	35.6	Very low	105 Å²	105	148.7 Å²	148.7	68%	0.682	79%	0.787	S	S	*	*			trans	-105.3	170.5	152	40.2	-30.9	0	0	0	112.8
278	D	38.8	Very low	35.5	Very low	153 Å²	153	143.8 Å²	143.8	82%	0.818	78%	0.778	S	S	*	*			trans	-147.5	156.8	169.3	-70	-69.3	0	0	0	110.1
279	D	38.2	Very low	35.5	Very low	147 Å²	147	142.6 Å²	142.6	79%	0.786	77%	0.768	S	S	*	*			trans	-119.9	-147.8	-163.4	-66.6	-72.1	0	0	0	114.9
280	D	41.4	Very low	35.3	Very low	150 Å²	150	141.9 Å²	141.9	80%	0.802	76%	0.757	S	S	*	*			trans	74.1	150.8	172.9	-44	-17.7	0	0	0	117.1
281	D	41.8	Very low	35.5	Very low	153 Å²	153	145 Å²	145	82%	0.818	75%	0.754	S	S	*	*			cis	-173.7	167.5	-20.9	-107.2	7.2	0	0	0	106.7
282	D	41.3	Very low	35.8	Very low	153 Å²	153	143.1 Å²	143.1	82%	0.818	74%	0.742	S	S	*	*			cis	-167.5	-167.5	-38.3	-171.8	24	0	0	0	108.2
283	D	39.2	Very low	35.9	Very low	148 Å²	148	142 Å²	142	79%	0.791	74%	0.743	S	S	*	*			trans	108.1	148.9	150.8	-140.1	-6.4	0	0	0	121.1
284	E	36.2	Very low	35.9	Very low	164 Å²	164	138.8 Å²	138.8	77%	0.766	73%	0.733	S	S	*	*			trans	-76.5	174.7	-157.9	-97.8	-84.5	-171.9	0	0	119.1
285	G	33.8	Very low	36.2	Very low	68 Å²	68	141 Å²	141	70%	0.701	74%	0.737	S	S	*	*			trans	-162.1	-12.6	-173	0	0	0	0	0	124.3
286	L	35.4	Very low	36.4	Very low	137 Å²	137	143 Å²	143	72%	0.717	74%	0.735	S	S	*	*			trans	57.8	133.1	164.1	-67.6	174.7	0	0	0	124.3
287	Q	36.2	Very low	36.3	Very low	175 Å²	175	144.8 Å²	144.8	82%	0.818	74%	0.738	S	S	*	*			trans	73.2	160.6	144.5	-66.4	171.3	43.4	0	0	122.5
288	S	33.9	Very low	36	Very low	101 Å²	101	145 Å²	145	71%	0.706	74%	0.741	S	S	*	*			cis	171.4	117.9	-46.6	161.4	0	0	0	0	114.4
289	E	33.5	Very low	35.7	Very low	114 Å²	114	147.4 Å²	147.4	53%	0.533	75%	0.745	S	S	.	*			trans	178.2	176.8	136.8	-107.1	-82.4	123.8	0	0	111.3	R291	E289-R291 IonicContact OE1-NH2 2.9Å; E289-R291 IonicContact OE2-CZ 3.7Å; E289-R291 IonicContact OE2-NE 3.13Å; E289-R291 PolarHBondContact OE2-NE 3.18Å; E289-R291 VanDerWaalsContact OE2-NE 3.13Å; E289-R291 IonicContact OE2-NH2 3.01Å; E289-R291 PolarHBondContact OE2-NH2 2.78Å
290	R	32.5	Very low	35.5	Very low	187 Å²	187	145.2 Å²	145.2	71%	0.706	74%	0.741	S	S	*	*				174.6	84.8	-95.1	161.5	-121.8	-170.2	171.9	5.9	113.2
291	R	37.1	Very low	35	Very low	199 Å²	199	144.2 Å²	144.2	75%	0.751	74%	0.74	S	S	*	*			trans	-163	115.1	171.8	-100.1	153.1	-115.4	-133.2	6.7	111.4	E289	E289-R291 IonicContact OE1-NH2 2.9Å; E289-R291 IonicContact OE2-CZ 3.7Å; E289-R291 IonicContact OE2-NE 3.13Å; E289-R291 PolarHBondContact OE2-NE 3.18Å; E289-R291 VanDerWaalsContact OE2-NE 3.13Å; E289-R291 IonicContact OE2-NH2 3.01Å; E289-R291 PolarHBondContact OE2-NH2 2.78Å
292	H	37.4	Very low	34.4	Very low	161 Å²	161	144.1 Å²	144.1	75%	0.745	74%	0.739	S	S	*	*				77.7	144.8	87.7	-75.5	42.4	0	0	0	114.4
293	C	31.1	Very low	33.9	Very low	96 Å²	96	140.9 Å²	140.9	65%	0.649	73%	0.734	S	S	*	*			cis	-161	139.8	18.9	-154.3	0	0	0	0	114.7
294	K	34.9	Very low	33.5	Very low	162 Å²	162	142 Å²	142	70%	0.704	74%	0.74	S	S	*	*			trans	29.4	166.6	137.2	-47	174.6	-168.4	171.6	0	121.6
295	Q	37.2	Very low	33.1	Very low	145 Å²	145	139.8 Å²	139.8	68%	0.678	74%	0.738	S	S	*	*			cis	-170.4	137.4	26.3	-156.3	153	-86.6	0	0	116.8
296	K	34.4	Very low	33.1	Very low	171 Å²	171	143.7 Å²	143.7	74%	0.743	74%	0.742	S	S	*	*			trans	45.8	143.3	146.7	-62.7	177.7	-179.6	-176.2	0	122.8
297	I	31.1	Very low	32.8	Very low	151 Å²	151	144 Å²	144	77%	0.774	75%	0.745	S	S	*	*			cis	86.6	129.7	24	-60	166.9	0	0	0	114.4
298	C	29.7	Very low	32.7	Very low	110 Å²	110	143.4 Å²	143.4	74%	0.743	75%	0.747	S	S	*	*			cis	-173.7	-168.9	-13	-96.1	0	0	0	0	109.3
299	K	33.5	Very low	32.5	Very low	204 Å²	204	145.6 Å²	145.6	89%	0.887	75%	0.751	S	S	*	*			trans	99.1	151.4	165.5	-60.2	-179.1	-178.5	-174.6	0	116.8
300	S	33.8	Very low	32.3	Very low	100 Å²	100	150.3 Å²	150.3	70%	0.699	77%	0.77	S	S	*	*			cis	-167.2	135.2	-0	37.3	0	0	0	0	112.6
301	V	30.5	Very low	32	Very low	129 Å²	129	146.4 Å²	146.4	78%	0.782	77%	0.771	S	S	*	*				91.9	152.3	101.5	175.5	0	0	0	0	117.1
302	N	30.6	Very low	31.8	Very low	152 Å²	152	144 Å²	144	81%	0.813	78%	0.778	S	S	*	*			trans	75.8	128.9	-178.6	-67.5	-12.7	0	0	0	116.5
303	A	29.7	Very low	31.3	Very low	85 Å²	85	143.9 Å²	143.9	70%	0.702	78%	0.784	S	S	*	*			cis	107.6	118.1	10	0	0	0	0	0	115.8
304	N	31.8	Very low	31.3	Very low	172 Å²	172	146.1 Å²	146.1	92%	0.92	79%	0.794	S	S	*	*			trans	-168	156.9	140.7	-105.8	-14.8	0	0	0	111.1
305	T	28.1	Very low	31	Very low	117 Å²	117	145.1 Å²	145.1	72%	0.718	80%	0.796	S	S	*	*			trans	-103.6	162.8	-176.2	52.5	0	0	0	0	112.7
306	N	33.4	Very low	30.6	Very low	150 Å²	150	146.6 Å²	146.6	80%	0.802	80%	0.8	S	S	*	*				-178.7	156.6	114.5	-86.1	-7.1	0	0	0	112.3
307	N	28.2	Very low	30.3	Very low	144 Å²	144	146.3 Å²	146.3	77%	0.77	80%	0.804	S	S	*	*			trans	-82.1	164.4	172.3	-59.2	-41.5	0	0	0	110.9
308	D	34.6	Very low	30.3	Very low	162 Å²	162	145.4 Å²	145.4	87%	0.866	81%	0.805	S	S	*	*				-168.5	159.1	107.3	-103.6	-23.1	0	0	0	113.9
309	N	28.9	Very low	30.3	Very low	147 Å²	147	144.9 Å²	144.9	79%	0.786	80%	0.803	S	S	*	*			trans	-100	136.9	-174.9	-62.8	-81.1	0	0	0	112.4
310	K	30.8	Very low	30.3	Very low	213 Å²	213	143.1 Å²	143.1	93%	0.926	80%	0.803	S	S	*	*			trans	-169.9	151.1	134.5	-113.7	165.1	-175.2	172.9	0	115.3
311	S	25.1	Very low	30.2	Very low	104 Å²	104	146.4 Å²	146.4	73%	0.727	81%	0.808	S	S	*	*			trans	-99.2	149	167.6	50.7	0	0	0	0	111.3
312	T	32.8	Very low	30.1	Very low	148 Å²	148	150.2 Å²	150.2	91%	0.908	81%	0.808	S	S	*	*			trans	-173.8	156.1	140.8	22.7	0	0	0	0	111.1
313	N	26.4	Very low	30.3	Very low	160 Å²	160	149 Å²	149	86%	0.856	81%	0.809	S	S	*	*			trans	-69.9	161	172	-63.2	-50.7	0	0	0	112.9
314	V	32.4	Very low	30.1	Very low	143 Å²	143	151.6 Å²	151.6	87%	0.867	81%	0.809	S	S	*	*			trans	-174.1	151.2	130.3	139.6	0	0	0	0	111
315	D	28	Very low	30.2	Very low	140 Å²	140	150.2 Å²	150.2	75%	0.749	81%	0.806	S	S	*	*			trans	-78.9	160	-179.6	-71.1	-87.6	0	0	0	116.2
316	K	28.9	Very low	30.2	Very low	177 Å²	177	147.6 Å²	147.6	77%	0.77	80%	0.803	S	S	*	*			trans	72.8	143.1	143.7	-90.7	175	178.4	170.1	0	121.7
317	M	28.2	Very low	30.1	Very low	165 Å²	165	147.9 Å²	147.9	81%	0.813	80%	0.804	S	S	*	*			trans	70.5	150	157.6	-67.3	161	164.6	0	0	115
318	T	31.9	Very low	30	Very low	131 Å²	131	145.9 Å²	145.9	80%	0.804	80%	0.801	S	S	*	*			cis	-145.1	161.8	12.1	-23.6	0	0	0	0	113
319	S	27.8	Very low	29.9	Very low	100 Å²	100	143.4 Å²	143.4	70%	0.699	80%	0.797	S	S	*	*			trans	-37.9	149.7	162.9	-171.9	0	0	0	0	116.7
320	D	34.2	Very low	29.8	Very low	167 Å²	167	141.5 Å²	141.5	89%	0.893	80%	0.795	S	S	*	*			trans	-122.9	158.9	157.2	-112.8	-39	0	0	0	110.6
321	Q	33	Very low	30	Very low	169 Å²	169	140.4 Å²	140.4	79%	0.79	79%	0.793	S	S	*	*			trans	-141.3	132	-154.8	-161.8	172.1	22.7	0	0	115.3
322	W	27.9	Very low	30.1	Very low	209 Å²	209	141.6 Å²	141.6	79%	0.792	80%	0.796	S	S	*	*			trans	4.4	152.9	154.7	-61.4	66.2	0	0	0	121	I324	W322-I324 HydrophobicContact CE3-CD1 3.87Å; W322-I324 HydrophobicContact CE3-CG1 3.64Å; W322-I324 HydrophobicContact CZ3-CD1 3.73Å; W322-I324 HydrophobicContact CZ3-CG1 3.88Å
323	P	33.4	Very low	30	Very low	127 Å²	127	142.8 Å²	142.8	83%	0.825	80%	0.796	S	S	*	*				-131	152.6	125	37.3	-29.6	0	0	0	115.2
324	I	27	Very low	30	Very low	138 Å²	138	139.8 Å²	139.8	71%	0.708	79%	0.788	S	S	*	*			trans	-116.7	120.3	168.6	-57.6	176	0	0	0	109.2	W322	W322-I324 HydrophobicContact CE3-CD1 3.87Å; W322-I324 HydrophobicContact CE3-CG1 3.64Å; W322-I324 HydrophobicContact CZ3-CD1 3.73Å; W322-I324 HydrophobicContact CZ3-CG1 3.88Å
325	V	32.8	Very low	29.9	Very low	143 Å²	143	139.2 Å²	139.2	87%	0.867	79%	0.785	S	S	*	*			trans	-153	144.7	161.1	-171.7	0	0	0	0	105.2
326	G	28.4	Very low	30	Very low	62 Å²	62	139.8 Å²	139.8	64%	0.639	79%	0.787	S	S	*	*			cis	144.6	136.4	1	0	0	0	0	0	109.6
327	D	31.5	Very low	30.2	Very low	156 Å²	156	137 Å²	137	83%	0.834	79%	0.787	S	S	*	*			trans	69.6	107.2	173.6	-81.7	-53.8	0	0	0	122.6
328	S	26.3	Very low	30.3	Very low	102 Å²	102	135.2 Å²	135.2	71%	0.713	79%	0.791	S	S	*	*				57.9	92.7	104.3	-50.4	0	0	0	0	123
329	S	32.1	Very low	30.1	Very low	111 Å²	111	135 Å²	135	78%	0.776	79%	0.79	S	S	*	*			trans	178.7	120.8	131	56.2	0	0	0	0	109.6
330	S	26.9	Very low	30.3	Very low	106 Å²	106	137.7 Å²	137.7	74%	0.741	80%	0.796	S	S	*	*			cis	87.9	82.5	43.4	78.1	0	0	0	0	115.4
331	E	34	Very low	30.1	Very low	190 Å²	190	135 Å²	135	89%	0.888	79%	0.785	S	S	*	*			trans	-173.7	95.6	153.8	-108.7	174.1	-144.5	0	0	106.8
332	T	27.9	Very low	29.8	Very low	129 Å²	129	133.8 Å²	133.8	79%	0.791	79%	0.785	S	S	*	*				49.1	88.3	58.2	68	0	0	0	0	116.3
333	L	31	Very low	29.9	Very low	173 Å²	173	128.4 Å²	128.4	91%	0.906	78%	0.779	S	S	*	*			trans	-149.5	136.4	138.4	-130.1	149.5	0	0	0	111
334	S	25.4	Very low	29.6	Very low	98 Å²	98	132.2 Å²	132.2	69%	0.685	78%	0.782	S	S	*	*			trans	-143.9	122.6	-165.2	58.1	0	0	0	0	113
335	T	31.9	Very low	29.8	Very low	130 Å²	130	131.5 Å²	131.5	80%	0.798	79%	0.79	S	S	*	*			trans	-145.1	89.8	167.9	-40.5	0	0	0	0	107.3
336	L	28.8	Very low	29.5	Very low	152 Å²	152	131 Å²	131	80%	0.796	79%	0.787	S	S	*	*				54.9	128.8	86.6	-76.9	171.7	0	0	0	114.9
337	P	33.6	Very low	29.6	Very low	119 Å²	119	134.7 Å²	134.7	77%	0.773	80%	0.797	S	S	*	*			trans	-93.4	167.4	-172	38.8	-37.4	0	0	0	113.6
338	S	31.7	Very low	29.3	Very low	127 Å²	127	138 Å²	138	89%	0.888	80%	0.797	S	S	*	*			trans	-132.6	119.4	170.1	-71.3	0	0	0	0	111.7
339	T	26.8	Very low	29.7	Very low	127 Å²	127	142.5 Å²	142.5	78%	0.779	81%	0.807	S	S	*	*			trans	-74	146.5	170.3	50.6	0	0	0	0	111.6
340	N	31.9	Very low	29.4	Very low	156 Å²	156	141.7 Å²	141.7	83%	0.834	80%	0.802	S	S	*	*				-161.4	140.6	129.1	-106	-24.1	0	0	0	116.9
341	V	29.8	Very low	29.6	Very low	111 Å²	111	144.2 Å²	144.2	67%	0.673	81%	0.807	S	S	*	*			trans	-44.1	150.3	174.8	-89.3	0	0	0	0	120.4
342	N	27.3	Very low	29.3	Very low	144 Å²	144	140.4 Å²	140.4	77%	0.77	80%	0.801	S	S	*	*				100.5	138.3	125.9	-87.5	-17.4	0	0	0	124.2
343	S	28.7	Very low	29.3	Very low	96 Å²	96	139.9 Å²	139.9	67%	0.671	80%	0.803	S	S	*	*			trans	83.2	99.2	140.1	-69.1	0	0	0	0	122
344	K	27.1	Very low	29.3	Very low	207 Å²	207	137.1 Å²	137.1	90%	0.9	79%	0.793	S	S	*	*				36.9	116.8	125.4	-62.5	176.8	178	176.4	0	118.9
345	S	32	Very low	29.5	Very low	123 Å²	123	141.6 Å²	141.6	86%	0.86	80%	0.796	S	S	*	*				-158.7	143.7	113.8	61.7	0	0	0	0	113.7
346	T	26.8	Very low	29.7	Very low	131 Å²	131	141.5 Å²	141.5	80%	0.804	80%	0.798	S	S	*	*			trans	-69.4	143.3	173.1	-53.5	0	0	0	0	112.2
347	V	30.6	Very low	29.9	Very low	140 Å²	140	142.5 Å²	142.5	85%	0.848	80%	0.799	S	S	*	*			trans	-159.7	153.7	133.1	133.9	0	0	0	0	109.8
348	R	25.9	Very low	30	Very low	225 Å²	225	146 Å²	146	85%	0.849	80%	0.801	S	S	*	*			trans	-93.5	147.1	-178.8	-55.4	169.2	176.7	171.8	-4.1	110.9
349	Q	33.7	Very low	30.1	Very low	197 Å²	197	145.9 Å²	145.9	92%	0.921	80%	0.796	S	S	*	*				-158.2	155.8	129.6	-117.4	162	-13	0	0	111.2
350	S	26.2	Very low	30.5	Very low	95 Å²	95	144.8 Å²	144.8	66%	0.664	79%	0.789	S	S	*	*			trans	-93.9	160.9	172	51.2	0	0	0	0	110.1
351	D	31.6	Very low	30.6	Very low	159 Å²	159	142.9 Å²	142.9	85%	0.85	78%	0.779	S	S	*	*				174.1	171.3	114.6	-82.7	-4.5	0	0	0	110.9
352	S	26.7	Very low	30.9	Very low	110 Å²	110	144.2 Å²	144.2	77%	0.769	78%	0.778	S	S	*	*			trans	-118.6	150.7	-170.3	57.8	0	0	0	0	112.7
353	S	28.8	Very low	31.3	Very low	117 Å²	117	145 Å²	145	82%	0.818	78%	0.777	S	S	*	*			trans	166.3	175.1	153.4	42.1	0	0	0	0	112.3
354	T	29.5	Very low	31.4	Very low	115 Å²	115	144.6 Å²	144.6	71%	0.706	77%	0.774	S	S	*	*				-175.8	113	-60.6	-101	0	0	0	0	110.5
355	Y	30	Very low	31.7	Very low	192 Å²	192	141.9 Å²	141.9	75%	0.753	77%	0.768	S	S	*	*			trans	58.4	178.6	159.3	-69.6	-107.5	0	0	0	117.7
356	P	37.1	Very low	31.7	Very low	129 Å²	129	141.9 Å²	141.9	84%	0.838	76%	0.762	S	S	*	*				-136.5	155.8	98.6	38.7	-28.3	0	0	0	115.2
357	H	31.3	Very low	32	Very low	173 Å²	173	141.6 Å²	141.6	80%	0.801	76%	0.76	S	S	*	*			trans	-127.7	164.2	168.9	-112.1	-89.4	0	0	0	109.5
358	K	36.5	Very low	32.1	Very low	191 Å²	191	140.2 Å²	140.2	83%	0.83	75%	0.748	S	S	*	*			trans	-112.8	118.6	169.3	-82.6	-173.9	174	-179.2	0	111.7
359	T	34	Very low	32.4	Very low	125 Å²	125	137 Å²	137	77%	0.767	74%	0.74	S	S	*	*			trans	27.2	145.3	130.6	36.9	0	0	0	0	120.4
360	T	35.1	Very low	32.4	Very low	104 Å²	104	134 Å²	134	64%	0.638	73%	0.73	S	S	*	*			cis	-162.4	145.7	20.7	-131.6	0	0	0	0	114.2
361	D	33.9	Very low	32.7	Very low	117 Å²	117	133.2 Å²	133.2	63%	0.626	73%	0.725	S	S	*	*			trans	52.3	151.1	146.7	-52.7	-52.1	0	0	0	123.2
362	Q	36.5	Very low	32.7	Very low	139 Å²	139	132.1 Å²	132.1	65%	0.65	72%	0.719	S	S	*	*			cis	-165.6	159.4	-14.9	-116.8	174.7	65.1	0	0	113
363	Q	35.3	Very low	33	Very low	161 Å²	161	134 Å²	134	75%	0.752	72%	0.721	S	S	*	*			trans	65.6	153.1	154	-66.4	173.1	34.8	0	0	120.9
364	S	30.7	Very low	33.2	Very low	87 Å²	87	133 Å²	133	61%	0.608	72%	0.72	S	S	*	*			cis	-174.5	171.2	-37.8	55.1	0	0	0	0	111.3
365	I	33.1	Very low	33.2	Very low	150 Å²	150	133.4 Å²	133.4	77%	0.769	73%	0.725	S	S	*	*			trans	77	124.9	164.9	-58.5	162.4	0	0	0	115.9
366	V	32	Very low	33.2	Very low	122 Å²	122	135.4 Å²	135.4	74%	0.739	73%	0.731	S	S	*	*			cis	98.3	125.7	23	168.7	0	0	0	0	113.5
367	T	33.2	Very low	33	Very low	126 Å²	126	135.6 Å²	135.6	77%	0.773	73%	0.73	S	S	*	*			cis	-159.1	-163.3	-15.7	36.3	0	0	0	0	106.5
368	D	32.2	Very low	32.8	Very low	110 Å²	110	131.6 Å²	131.6	59%	0.588	74%	0.735	S	S	*	*			cis	-165	161.4	9.3	-165.4	14.7	0	0	0	111.6
369	K	33	Very low	32.5	Very low	158 Å²	158	126.1 Å²	126.1	69%	0.687	73%	0.733	S	S	*	*			trans	58.3	163.3	159.2	-81.2	173.1	-173.7	97.2	0	120.5
370	D	33.9	Very low	32.3	Very low	133 Å²	133	122.9 Å²	122.9	71%	0.711	72%	0.724	S	S	*	*			cis	-150.3	166.9	-1.4	-131.4	-35.5	0	0	0	114.8
371	S	31.8	Very low	32.1	Very low	80 Å²	80	127.9 Å²	127.9	56%	0.559	74%	0.737	S	S	*	*			trans	-12.4	136.4	171.7	61.9	0	0	0	0	124
372	N	33.2	Very low	31.8	Very low	135 Å²	135	132.5 Å²	132.5	72%	0.722	75%	0.752	S	S	*	*				167.8	143.9	100	-89.7	-58.3	0	0	0	118
373	N	32.4	Very low	31.4	Very low	149 Å²	149	130.4 Å²	130.4	80%	0.797	75%	0.753	S	S	*	*			trans	65.5	117.1	147.6	-68.4	-21.2	0	0	0	125.4
374	A	32.1	Very low	31.3	Very low	98 Å²	98	134.4 Å²	134.4	81%	0.81	76%	0.762	S	S	*	*			trans	90	134.1	136.8	0	0	0	0	0	120.5
375	P	29.8	Very low	31.1	Very low	123 Å²	123	140.2 Å²	140.2	80%	0.799	78%	0.776	S	S	*	*			trans	-106	152	-171.6	39.7	-33.8	0	0	0	114.6
376	R	29.8	Very low	31	Very low	234 Å²	234	140.7 Å²	140.7	88%	0.883	78%	0.779	S	S	*	*			trans	-145.1	129.5	161.7	-79.9	-160.3	165.3	-146	-6.8	114.3
377	T	33.2	Very low	30.8	Very low	133 Å²	133	138.7 Å²	138.7	82%	0.816	77%	0.771	S	S	*	*			trans	45.2	95	146.5	59.1	0	0	0	0	118.3
378	G	27.3	Very low	30.6	Very low	89 Å²	89	141.4 Å²	141.4	92%	0.918	77%	0.772	S	S	*	*			trans	-75.3	145.5	156.8	0	0	0	0	0	111.4
379	G	29.4	Very low	30.4	Very low	76 Å²	76	146.6 Å²	146.6	78%	0.784	78%	0.784	S	S	*	*			trans	-157.9	154	179.8	0	0	0	0	0	114.3
380	G	30.7	Very low	30.1	Very low	56 Å²	56	144.8 Å²	144.8	58%	0.577	78%	0.782	S	S	*	*			trans	73	78.9	160.6	0	0	0	0	0	117.6	F382 S383	G380-F382 PolarHBondContact O-N 2.96Å; G380-S383 PolarHBondContact O-OG 2.6Å
381	F	30.2	Very low	29.7	Very low	209 Å²	209	147.2 Å²	147.2	92%	0.917	79%	0.786	S	S	*	*	S	Bend	trans	-74.8	44.9	168.4	-157.8	-94.2	0	0	0	113
382	F	28.2	Very low	29.5	Very low	214 Å²	214	146.7 Å²	146.7	94%	0.939	79%	0.794	S	S	*	*			trans	-157.3	66.2	171.8	-87.2	-64.4	0	0	0	109.6	G380	G380-F382 PolarHBondContact O-N 2.96Å
383	S	27.8	Very low	29.2	Very low	96 Å²	96	146.6 Å²	146.6	67%	0.671	79%	0.793	S	S	*	*			trans	-151.2	52.7	-169.7	55.8	0	0	0	0	114.4	G380	G380-S383 PolarHBondContact O-OG 2.6Å
384	R	32.9	Very low	29.1	Very low	245 Å²	245	141.8 Å²	141.8	93%	0.925	77%	0.774	S	S	*	*			trans	-154.1	61.3	171.7	-137.2	169.5	-94.2	170.1	-8.2	115.3
385	F	27	Very low	29	Very low	208 Å²	208	141.9 Å²	141.9	91%	0.912	76%	0.758	S	S	*	*			trans	-101.2	172.5	149.4	-88.2	-83.6	0	0	0	109.2
386	L	31.2	Very low	28.8	Very low	160 Å²	160	138.7 Å²	138.7	84%	0.838	74%	0.736	S	S	*	*			trans	78.8	140.8	-170.3	-49.9	175.7	0	0	0	114.8
387	S	28.5	Very low	28.6	Very low	81 Å²	81	134.3 Å²	134.3	57%	0.566	73%	0.729	S	S	*	*			cis	-171.7	171.5	-24.1	-109.2	0	0	0	0	111.5
388	F	27.7	Very low	28.4	Very low	182 Å²	182	135.6 Å²	135.6	80%	0.798	73%	0.725	S	S	*	*			trans	98	120.7	151	-59	-63.6	0	0	0	121.9
389	R	28.3	Very low	28.4	Very low	220 Å²	220	136 Å²	136	83%	0.83	71%	0.71	S	S	*	*			trans	74.2	147	142.4	-71.3	-176.6	168.5	175	-4.1	118
390	N	26.3	Very low	28.2	Very low	120 Å²	120	138.9 Å²	138.9	64%	0.642	71%	0.712	S	S	*	*			cis	-147.2	152.9	11.5	-128.6	23.6	0	0	0	113
391	F	26.5	Very low	28.2	Very low	183 Å²	183	142.1 Å²	142.1	80%	0.803	72%	0.721	S	S	*	*			trans	0.6	147.3	155.5	-63.2	-112.2	0	0	0	120.9
392	G	27.1	Very low	28	Very low	70 Å²	70	137.5 Å²	137.5	72%	0.722	70%	0.702	S	S	*	*			cis	159.6	178.7	-4.4	0	0	0	0	0	115.8
393	N	27.6	Very low	28.2	Very low	133 Å²	133	133 Å²	133	71%	0.711	69%	0.692	S	S	*	*			trans	92.5	132.4	154.8	-70.4	20.4	0	0	0	125.7	S185	S185-N393 PolarHBondContact OG-O 2.6Å
394	A	28.7	Very low	28.1	Very low	48 Å²	48	135.1 Å²	135.1	40%	0.397	70%	0.696	S	S	.	*			trans	77	117.4	133.5	0	0	0	0	0	124.2	S183 P184 S185	S183-A394 VanDerWaalsContact O-CA 3.25Å; S183-A394 WeakPolarHBondContact O-CA 3.3Å; S183-A394 PolarHBondContact O-N 2.78Å; P184-A394 CarbonylContact C-O 3.56Å; P184-A394 CarbonylContact O-C 3.56Å; S185-A394 WeakPolarHBondContact CB-O 3.47Å; S185-A394 PolarHBondContact N-O 3.46Å; S185-A394 VanDerWaalsContact N-O 3.08Å; S185-A394 PolarHBondContact OG-O 2.98Å
395	Q	30.8	Very low	28	Very low	100 Å²	100	131.1 Å²	131.1	47%	0.467	69%	0.693	S	S	.	*			trans	107.8	88.3	151.4	-57.2	84.5	-27.5	0	0	120	S183 P184	S183-Q395 PolarHBondContact O-OE1 2.82Å; P184-Q395 CarbonylContact O-C 3.37Å; P184-Q395 WeakPolarHBondContact O-CA 3.42Å; P184-Q395 PolarHBondContact O-N 3.37Å
396	T	26.5	Very low	28.1	Very low	56 Å²	56	128.3 Å²	128.3	34%	0.344	69%	0.686	S	S	.	*			trans	-125.3	143.2	171.5	-162.5	0	0	0	0	112.5	P184	P184-T396 HydrophobicContact CG-CG2 4.25Å; P184-T396 PolarHBondContact O-N 3.08Å
397	I	25.6	Very low	28.1	Very low	142 Å²	142	126.6 Å²	126.6	73%	0.728	68%	0.678	S	S	*	*			trans	64.7	145.2	164.1	-68.6	168	0	0	0	112.8
398	Q	27.4	Very low	28.2	Very low	159 Å²	159	129.3 Å²	129.3	74%	0.743	68%	0.684	S	S	*	*				-172.2	164.3	71.5	-148.5	143.7	-43.8	0	0	113.3
399	T	28	Very low	28.6	Very low	98 Å²	98	128.2 Å²	128.2	60%	0.601	68%	0.679	S	S	*	*			trans	14.6	126.9	154	54.1	0	0	0	0	119.4
400	V	25.3	Very low	28.7	Very low	137 Å²	137	125 Å²	125	83%	0.83	68%	0.679	S	S	*	*				51.8	82.2	61.7	-170.5	0	0	0	0	112.7
401	V	30.5	Very low	29	Very low	124 Å²	124	123.5 Å²	123.5	75%	0.752	68%	0.683	S	S	*	*			trans	-115	131.1	154.5	176	0	0	0	0	107.3	T403	V401-T403 HydrophobicContact CG1-CG2 4.33Å
402	E	27.2	Very low	29.5	Very low	112 Å²	112	121 Å²	121	52%	0.523	68%	0.683	S	S	.	*			trans	-105.3	112.4	-179.9	-177.9	172.8	-119.6	0	0	107.9	K460	E402-K460 IonicContact OE1-NZ 3.4Å; E402-K460 PolarHBondContact OE1-NZ 3.06Å; E402-K460 IonicContact OE2-NZ 3.54Å; E402-K460 PolarHBondContact OE2-NZ 2.72Å
403	T	30.8	Very low	29.9	Very low	119 Å²	119	123.1 Å²	123.1	73%	0.73	68%	0.682	S	S	*	*			trans	-124.5	111.2	172.4	38.7	0	0	0	0	109.7	V401 N405	V401-T403 HydrophobicContact CG1-CG2 4.33Å; T403-N405 PolarHBondContact O-N 3.31Å
404	D	27.4	Very low	30.3	Very low	141 Å²	141	123.1 Å²	123.1	75%	0.754	68%	0.682	S	S	*	*			trans	-59.6	133.7	170.1	-62.3	-66.7	0	0	0	110.1
405	N	30.2	Very low	30.6	Very low	161 Å²	161	126.5 Å²	126.5	86%	0.861	69%	0.693	S	S	*	*			trans	-133.9	110	153.9	-105.8	-43.9	0	0	0	108.8	T403 D407	T403-N405 PolarHBondContact O-N 3.31Å; N405-D407 PolarHBondContact O-N 3.05Å
406	I	28.8	Very low	30.8	Very low	148 Å²	148	128 Å²	128	76%	0.759	70%	0.704	S	S	*	*			trans	-74.2	112.2	173.8	-59.8	166	0	0	0	107	I408	I406-I408 HydrophobicContact CG2-CD1 4.21Å; I406-I408 HydrophobicContact CG2-CG1 4.04Å
407	D	31.2	Very low	31.2	Very low	125 Å²	125	130.8 Å²	130.8	67%	0.668	72%	0.721	S	S	*	*			trans	-129.4	113.6	158.5	-164.1	9	0	0	0	109.4	N405 K409	N405-D407 PolarHBondContact O-N 3.05Å; D407-K409 IonicContact OD1-NZ 3.13Å; D407-K409 PolarHBondContact OD1-NZ 2.67Å; D407-K409 IonicContact OD2-NZ 2.88Å; D407-K409 PolarHBondContact OD2-NZ 3.47Å
408	I	30.7	Very low	31.5	Very low	137 Å²	137	129.8 Å²	129.8	70%	0.703	72%	0.722	S	S	*	*			trans	-96	117.9	-178.9	-62.9	169.5	0	0	0	106.9	I406	I406-I408 HydrophobicContact CG2-CD1 4.21Å; I406-I408 HydrophobicContact CG2-CG1 4.04Å
409	K	35.6	Very low	31.9	Very low	160 Å²	160	130.9 Å²	130.9	70%	0.696	73%	0.727	S	S	*	*			trans	-138.1	134.1	167.9	-92.6	169.6	-161.8	80.7	0	112.4	D407	D407-K409 IonicContact OD1-NZ 3.13Å; D407-K409 PolarHBondContact OD1-NZ 2.67Å; D407-K409 IonicContact OD2-NZ 2.88Å; D407-K409 PolarHBondContact OD2-NZ 3.47Å
410	D	30.8	Very low	32.1	Very low	153 Å²	153	134.5 Å²	134.5	82%	0.818	74%	0.737	S	S	*	*			trans	-67.9	153.1	-169.4	-50.2	-87.8	0	0	0	114.5
411	A	33.3	Very low	32.7	Very low	88 Å²	88	135.8 Å²	135.8	73%	0.727	74%	0.737	S	S	*	*				-171.7	113.9	119	0	0	0	0	0	111.4
412	T	35.8	Very low	32.7	Very low	131 Å²	131	136.7 Å²	136.7	80%	0.804	74%	0.738	S	S	*	*				-177.1	114.3	120.4	19.6	0	0	0	0	113.6
413	T	35.4	Very low	33.1	Very low	114 Å²	114	137.5 Å²	137.5	70%	0.699	75%	0.75	S	S	*	*			trans	49.7	111.6	140.6	54.4	0	0	0	0	121.6
414	N	35.6	Very low	33.3	Very low	133 Å²	133	140.7 Å²	140.7	71%	0.711	75%	0.754	S	S	*	*				103.7	131	117.2	-78	47.9	0	0	0	121.8
415	D	35	Very low	33.5	Very low	119 Å²	119	143.3 Å²	143.3	64%	0.636	76%	0.762	S	S	*	*			trans	85.4	93.7	137.2	-70.8	32.5	0	0	0	121.8
416	N	35.9	Very low	33.6	Very low	131 Å²	131	143.3 Å²	143.3	70%	0.701	76%	0.76	S	S	*	*				98.6	109.5	114.3	-66	-25.4	0	0	0	121.7
417	T	34.5	Very low	33.6	Very low	114 Å²	114	141.1 Å²	141.1	70%	0.699	76%	0.758	S	S	*	*				99	81.8	125.1	-54.6	0	0	0	0	120.5
418	T	31.1	Very low	33.6	Very low	121 Å²	121	144.4 Å²	144.4	74%	0.742	77%	0.769	S	S	*	*				77.9	148.1	117.2	-45.7	0	0	0	0	121.4
419	Q	37.8	Very low	33.5	Very low	183 Å²	183	149 Å²	149	86%	0.855	78%	0.779	S	S	*	*			trans	93.3	102.9	170.8	-51.6	-169.2	44.9	0	0	114.7
420	H	32	Very low	33.2	Very low	173 Å²	173	149.9 Å²	149.9	80%	0.801	79%	0.786	S	S	*	*			cis	97.2	101.2	38.8	-179.5	-71.2	0	0	0	113.1
421	I	36.2	Very low	33.3	Very low	164 Å²	164	146.7 Å²	146.7	84%	0.841	77%	0.774	S	S	*	*			trans	-167.4	153	137.9	-99.1	151.9	0	0	0	108.3
422	D	31.6	Very low	33.5	Very low	144 Å²	144	146.4 Å²	146.4	77%	0.77	77%	0.766	S	S	*	*			trans	-113.3	-169.7	-169	-173.9	16.9	0	0	0	111
423	V	36	Very low	34.3	Very low	129 Å²	129	144.1 Å²	144.1	78%	0.782	76%	0.756	S	S	*	*			trans	111.5	115.4	162.2	-176.4	0	0	0	0	115.4
424	K	34.4	Very low	35	Very low	186 Å²	186	147.5 Å²	147.5	81%	0.809	76%	0.756	S	S	*	*			trans	-72.9	150.6	168.3	-47.9	152.7	-177.1	168	0	110.1
425	E	32.4	Very low	35.7	Very low	195 Å²	195	147.9 Å²	147.9	91%	0.911	75%	0.751	S	S	*	*				-162.9	170.7	113.5	-118.3	-178.3	160.9	0	0	113.2
426	I	30.9	Very low	36.5	Very low	161 Å²	161	146.4 Å²	146.4	83%	0.826	74%	0.743	S	S	*	*			trans	-119.4	118.2	-170.4	-63	168.2	0	0	0	109.7
427	S	30.3	Very low	37.5	Very low	103 Å²	103	142.5 Å²	142.5	72%	0.72	72%	0.722	S	S	*	*			trans	-166.6	120.2	151.6	18.1	0	0	0	0	113.9
428	Q	29.9	Very low	38.5	Very low	193 Å²	193	139.6 Å²	139.6	90%	0.902	70%	0.702	S	S	*	*			trans	40.3	85.8	139.3	-60.6	178.1	-8.8	0	0	118.5
429	Y	28.3	Very low	39.5	Very low	233 Å²	233	141.5 Å²	141.5	91%	0.914	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-90.5	120.8	149.8	-111.3	-98.6	0	0	0	109.7
430	Q	29.3	Very low	40.3	Very low	179 Å²	179	137.6 Å²	137.6	84%	0.836	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-92.7	118.9	-178.9	-171.3	177.3	10.6	0	0	110.1	S432	Q430-S432 PolarHBondContact O-N 3.43Å
431	P	34.2	Very low	41.4	Very low	87 Å²	87	130.9 Å²	130.9	57%	0.565	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-62.6	133.8	176.3	-22.3	34.1	0	0	0	111.3
432	S	37.9	Very low	42.3	Very low	81 Å²	81	126.3 Å²	126.3	57%	0.566	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-56.8	142.5	-179.6	60.3	0	0	0	0	112	Q430 R434 F435	Q430-S432 PolarHBondContact O-N 3.43Å; S432-R434 PolarHBondContact O-N 3.07Å; S432-F435 PolarHBondContact O-N 3.26Å
433	S	50.7	Low	43.4	Very low	83 Å²	83	126.3 Å²	126.3	58%	0.58	62%	0.615	S	S	*	*	H	α-helix	trans	-48.9	-40.5	-175	63.1	0	0	0	0	113.6	F435 N436 D437	S433-F435 PolarHBondContact O-N 2.93Å; S433-N436 CarbonylContact O-C 3.37Å; S433-N436 WeakPolarHBondContact O-CA 3.31Å; S433-N436 WeakPolarHBondContact O-CB 3.4Å; S433-N436 PolarHBondContact O-N 3.05Å; S433-D437 PolarHBondContact O-N 3.21Å
434	R	50.1	Low	44.1	Very low	186 Å²	186	126.5 Å²	126.5	70%	0.702	61%	0.608	S	S	*	*	H	α-helix	trans	-44.9	-37.3	174.9	-77.7	-175	168.3	-176.9	-5.9	114.4	S432 L438	S432-R434 PolarHBondContact O-N 3.07Å; R434-L438 WeakPolarHBondContact O-CB 3.46Å; R434-L438 PolarHBondContact O-N 3.29Å
435	F	52	Low	44.9	Very low	140 Å²	140	121.7 Å²	121.7	61%	0.614	59%	0.588	S	S	*	*	H	α-helix	trans	-76	-32.5	179.8	-151.5	-83.5	0	0	0	112.2	S432 S433 R439	S432-F435 PolarHBondContact O-N 3.26Å; S433-F435 PolarHBondContact O-N 2.93Å; F435-R439 VanDerWaalsContact O-CB 3.27Å; F435-R439 WeakPolarHBondContact O-CB 3.1Å; F435-R439 PolarHBondContact O-N 2.96Å
436	N	51.9	Low	45.3	Very low	88 Å²	88	114.5 Å²	114.5	47%	0.471	57%	0.566	S	S	.	*	H	α-helix	trans	-76.3	-35.3	172.9	-69.4	-38.5	0	0	0	111.9	S433 R440	S433-N436 CarbonylContact O-C 3.37Å; S433-N436 WeakPolarHBondContact O-CA 3.31Å; S433-N436 WeakPolarHBondContact O-CB 3.4Å; S433-N436 PolarHBondContact O-N 3.05Å; N436-R440 VanDerWaalsContact O-CB 3.29Å; N436-R440 WeakPolarHBondContact O-CB 3.27Å; N436-R440 PolarHBondContact O-N 3.21Å
437	D	55.6	Low	45.8	Very low	49 Å²	49	110.3 Å²	110.3	26%	0.262	56%	0.563	S	S	.	*	H	α-helix	trans	-65.9	-44.4	171.3	-69.8	-56.8	0	0	0	111.2	S433 R439 R440 I441	S433-D437 PolarHBondContact O-N 3.21Å; D437-R439 PolarHBondContact O-N 3.17Å; D437-R440 CarbonylContact O-C 3.59Å; D437-R440 PolarHBondContact O-N 2.86Å; D437-R440 VanDerWaalsContact O-N 3.12Å; D437-R440 IonicContact OD1-CZ 3.4Å; D437-R440 IonicContact OD1-NH1 3.87Å; D437-R440 PolarHBondContact OD1-NH1 3.23Å; D437-R440 IonicContact OD1-NH2 2.81Å; D437-R440 PolarHBondContact OD1-NH2 2.98Å; D437-I441 VanDerWaalsContact O-CG1 3.31Å; D437-I441 WeakPolarHBondContact O-CG1 3.45Å; D437-I441 PolarHBondContact O-N 2.99Å
438	L	55.5	Low	46.9	Very low	53 Å²	53	113.1 Å²	113.1	28%	0.277	56%	0.564	S	S	.	*	H	α-helix	trans	-62.9	-41.9	175.4	-170.3	140.7	0	0	0	111.7	I229 R434 I441 L442	I229-L438 HydrophobicContact CG2-CD1 3.66Å; I229-L438 HydrophobicContact CG2-CG 4.35Å; R434-L438 WeakPolarHBondContact O-CB 3.46Å; R434-L438 PolarHBondContact O-N 3.29Å; L438-I441 PolarHBondContact O-N 3.23Å; L438-L442 HydrophobicContact CD2-CD1 3.65Å; L438-L442 HydrophobicContact CG-CD1 4.48Å; L438-L442 WeakPolarHBondContact O-CB 3.38Å; L438-L442 WeakPolarHBondContact O-CG 3.48Å; L438-L442 PolarHBondContact O-N 3.41Å
439	R	52.4	Low	48.1	Very low	161 Å²	161	107.8 Å²	107.8	61%	0.608	55%	0.553	S	S	*	*	H	α-helix	trans	-61.4	-42.1	170.6	-173.3	177.6	-173.6	164.3	5.7	111.8	F435 D437 Q443	F435-R439 VanDerWaalsContact O-CB 3.27Å; F435-R439 WeakPolarHBondContact O-CB 3.1Å; F435-R439 PolarHBondContact O-N 2.96Å; D437-R439 PolarHBondContact O-N 3.17Å; R439-Q443 WeakPolarHBondContact O-CB 3.19Å; R439-Q443 PolarHBondContact O-N 3.16Å
440	R	54.7	Low	49.7	Very low	102 Å²	102	98 Å²	98	39%	0.385	52%	0.516	S	S	.	.	H	α-helix	trans	-67.6	-39.9	179	-161.7	-172.1	64.3	-109.6	-5.5	111.6	H235 N436 D437 Q443 Q444	H235-R440 PolarHBondContact NE2-NH2 3.04Å; N436-R440 VanDerWaalsContact O-CB 3.29Å; N436-R440 WeakPolarHBondContact O-CB 3.27Å; N436-R440 PolarHBondContact O-N 3.21Å; D437-R440 CarbonylContact O-C 3.59Å; D437-R440 PolarHBondContact O-N 2.86Å; D437-R440 VanDerWaalsContact O-N 3.12Å; D437-R440 IonicContact OD1-CZ 3.4Å; D437-R440 IonicContact OD1-NH1 3.87Å; D437-R440 PolarHBondContact OD1-NH1 3.23Å; D437-R440 IonicContact OD1-NH2 2.81Å; D437-R440 PolarHBondContact OD1-NH2 2.98Å; R440-Q443 CarbonylContact O-C 2.91Å; R440-Q443 PolarHBondContact O-N 3.1Å; R440-Q444 HydrophobicContact CG-CG 4.19Å; R440-Q444 VanDerWaalsContact NE-OE1 3.08Å; R440-Q444 VanDerWaalsContact O-CB 3.26Å; R440-Q444 WeakPolarHBondContact O-CB 3.47Å; R440-Q444 VanDerWaalsContact O-CG 3.26Å; R440-Q444 WeakPolarHBondContact O-CG 3.49Å; R440-Q444 PolarHBondContact O-N 3.06Å
441	I	55.2	Low	51.8	Low	32 Å²	32	94.3 Å²	94.3	16%	0.164	50%	0.502	C	S	.	.	H	α-helix	trans	-63.8	-50.6	174.9	-68.4	162.6	0	0	0	110.2	L238 D437 L438 Q443 Q444 H445	L238-I441 HydrophobicContact CD2-CG2 4.03Å; D437-I441 VanDerWaalsContact O-CG1 3.31Å; D437-I441 WeakPolarHBondContact O-CG1 3.45Å; D437-I441 PolarHBondContact O-N 2.99Å; L438-I441 PolarHBondContact O-N 3.23Å; I441-Q443 PolarHBondContact O-N 3.35Å; I441-Q444 PolarHBondContact O-N 3.24Å; I441-H445 WeakPolarHBondContact O-CB 3.43Å; I441-H445 PolarHBondContact O-N 3.42Å
442	L	55.1	Low	53.9	Low	68 Å²	68	94.7 Å²	94.7	36%	0.356	50%	0.495	S	S	.	.	H	α-helix	trans	-60.3	-28.4	175.7	-72.9	171.2	0	0	0	113.1	L438 H445 G446	L438-L442 HydrophobicContact CD2-CD1 3.65Å; L438-L442 HydrophobicContact CG-CD1 4.48Å; L438-L442 WeakPolarHBondContact O-CB 3.38Å; L438-L442 WeakPolarHBondContact O-CG 3.48Å; L438-L442 PolarHBondContact O-N 3.41Å; L442-H445 CarbonylContact O-C 3.54Å; L442-G446 WeakPolarHBondContact O-CA 3.47Å; L442-G446 PolarHBondContact O-N 3.18Å
443	Q	54.4	Low	55.7	Low	144 Å²	144	97.7 Å²	97.7	67%	0.673	50%	0.498	S	S	*	.	H	α-helix	trans	-90.6	-26.7	179.8	-164	162.9	7.1	0	0	113.2	R439 R440 I441	R439-Q443 WeakPolarHBondContact O-CB 3.19Å; R439-Q443 PolarHBondContact O-N 3.16Å; R440-Q443 CarbonylContact O-C 2.91Å; R440-Q443 PolarHBondContact O-N 3.1Å; I441-Q443 PolarHBondContact O-N 3.35Å
444	Q	51	Low	56.9	Low	133 Å²	133	94.8 Å²	94.8	62%	0.621	48%	0.481	S	S	*	.	H	α-helix	trans	-80.6	-16.7	169.6	-72.2	-174.3	-92.6	0	0	112.6	R440 I441	R440-Q444 HydrophobicContact CG-CG 4.19Å; R440-Q444 VanDerWaalsContact NE-OE1 3.08Å; R440-Q444 VanDerWaalsContact O-CB 3.26Å; R440-Q444 WeakPolarHBondContact O-CB 3.47Å; R440-Q444 VanDerWaalsContact O-CG 3.26Å; R440-Q444 WeakPolarHBondContact O-CG 3.49Å; R440-Q444 PolarHBondContact O-N 3.06Å; I441-Q444 PolarHBondContact O-N 3.24Å
445	H	50.5	Low	58.2	Low	85 Å²	85	87.8 Å²	87.8	39%	0.394	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115	30.6	170.3	-59.8	-8.8	0	0	0	111	I441 L442 G447 H448	I441-H445 WeakPolarHBondContact O-CB 3.43Å; I441-H445 PolarHBondContact O-N 3.42Å; L442-H445 CarbonylContact O-C 3.54Å; H445-G447 PolarHBondContact O-N 3.28Å; H445-H448 PolarHBondContact O-N 3.43Å
446	G	40.7	Very low	59.5	Low	44 Å²	44	83.9 Å²	83.9	45%	0.454	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-65.2	8.4	-167.2	0	0	0	0	0	118	L442 H448	L442-G446 WeakPolarHBondContact O-CA 3.47Å; L442-G446 PolarHBondContact O-N 3.18Å; G446-H448 PolarHBondContact O-N 2.83Å
447	G	42.7	Very low	60.8	Low	73 Å²	73	84.3 Å²	84.3	75%	0.753	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-73.5	-12.4	168.9	0	0	0	0	0	114.1	H445	H445-G447 PolarHBondContact O-N 3.28Å
448	H	52.5	Low	62.1	Low	161 Å²	161	86.3 Å²	86.3	75%	0.745	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-122.5	30	-175.5	-61.1	-62.1	0	0	0	114	H445 G446 M450	H445-H448 PolarHBondContact O-N 3.43Å; G446-H448 PolarHBondContact O-N 2.83Å; H448-M450 VanDerWaalsContact C-N 3.31Å; H448-M450 PolarHBondContact O-N 3.39Å
449	A	54.7	Low	63.4	Low	81 Å²	81	89.2 Å²	89.2	67%	0.669	47%	0.468	S	S	*	.			trans	-72	88.5	165.2	0	0	0	0	0	109.4	D451	A449-D451 PolarHBondContact O-N 2.6Å
450	M	63.6	Low	65.1	Low	29 Å²	29	86.2 Å²	86.2	14%	0.143	46%	0.459	C	S	.	.			trans	-57	119.7	-176.3	-170.7	172.1	70.1	0	0	111.2	L219 Y222 H448 F452 E455	L219-M450 HydrophobicContact CD1-CE 3.79Å; L219-M450 HydrophobicContact CD1-SD 3.8Å; L219-M450 HydrophobicContact CG-CE 3.8Å; L219-M450 HydrophobicContact CG-SD 4.32Å; Y222-M450 HydrophobicContact CD1-CE 3.82Å; Y222-M450 HydrophobicContact CD2-CB 3.99Å; Y222-M450 HydrophobicContact CD2-CE 4.33Å; Y222-M450 HydrophobicContact CE2-CB 4.3Å; Y222-M450 HydrophobicContact CG-CB 4.47Å; Y222-M450 HydrophobicContact CG-CE 3.7Å; Y222-M450 HydrophobicContact CG-SD 4.27Å; H448-M450 VanDerWaalsContact C-N 3.31Å; H448-M450 PolarHBondContact O-N 3.39Å; M450-F452 HydrophobicContact CE-CD1 4.09Å; M450-F452 HydrophobicContact CE-CE1 3.4Å; M450-F452 VanDerWaalsContact CE-CE1 3.4Å; M450-F452 HydrophobicContact CE-CE2 4.04Å; M450-F452 HydrophobicContact CE-CZ 3.37Å; M450-F452 VanDerWaalsContact O-CD2 3.28Å; M450-F452 WeakPolarHBondContact O-CD2 3.36Å; M450-F452 PolarHBondContact O-N 2.87Å; M450-E455 HydrophobicContact CG-CG 4.29Å
451	D	72.1	Confident	66.5	Low	100 Å²	100	84.3 Å²	84.3	54%	0.535	47%	0.465	S	S	.	.			trans	-76.6	86.7	-179	179	15.5	0	0	0	110.9	A449 K453 G454 E455	A449-D451 PolarHBondContact O-N 2.6Å; D451-K453 PolarHBondContact O-N 2.84Å; D451-K453 WeakPolarHBondContact OD1-CA 3.11Å; D451-K453 VanDerWaalsContact OD1-CB 3.32Å; D451-K453 WeakPolarHBondContact OD1-CB 3.24Å; D451-K453 PolarHBondContact OD1-N 2.83Å; D451-G454 PolarHBondContact O-N 2.94Å; D451-G454 VanDerWaalsContact O-N 3.13Å; D451-G454 PolarHBondContact OD1-N 3.43Å; D451-G454 VanDerWaalsContact OD1-N 3.14Å; D451-G454 WeakPolarHBondContact OD2-CA 3.01Å; D451-G454 PolarHBondContact OD2-N 2.9Å; D451-E455 WeakPolarHBondContact O-CB 3.33Å; D451-E455 WeakPolarHBondContact O-CG 3.34Å; D451-E455 PolarHBondContact O-N 3.02Å
452	F	79.4	Confident	68	Low	96 Å²	96	83.5 Å²	83.5	42%	0.421	46%	0.461	S	S	.	.	H	α-helix	trans	-53.1	-23.9	173.5	-71.7	-82.3	0	0	0	113.9	Y222 F223 M450 A456	Y222-F452 AromaticContact CD1-CZ 3.91Å; Y222-F452 HydrophobicContact CD1-CZ 3.91Å; Y222-F452 AromaticContact CE1-CE2 3.96Å; Y222-F452 HydrophobicContact CE1-CE2 3.96Å; Y222-F452 AromaticContact CE1-CZ 3.63Å; Y222-F452 HydrophobicContact CE1-CZ 3.63Å; F223-F452 HydrophobicContact CZ-CE1 4.12Å; F223-F452 HydrophobicContact CZ-CZ 4.4Å; M450-F452 HydrophobicContact CE-CD1 4.09Å; M450-F452 HydrophobicContact CE-CE1 3.4Å; M450-F452 VanDerWaalsContact CE-CE1 3.4Å; M450-F452 HydrophobicContact CE-CE2 4.04Å; M450-F452 HydrophobicContact CE-CZ 3.37Å; M450-F452 VanDerWaalsContact O-CD2 3.28Å; M450-F452 WeakPolarHBondContact O-CD2 3.36Å; M450-F452 PolarHBondContact O-N 2.87Å; F452-A456 WeakPolarHBondContact O-CB 3.29Å; F452-A456 PolarHBondContact O-N 2.81Å; F452-A456 VanDerWaalsContact O-N 3.15Å
453	K	75.3	Confident	69.5	Low	144 Å²	144	82.6 Å²	82.6	63%	0.626	46%	0.459	S	S	*	.	H	α-helix	trans	-79	-48.9	176.1	-171.7	178.2	178.4	-177	0	110.6	D451 A456 H457	D451-K453 PolarHBondContact O-N 2.84Å; D451-K453 WeakPolarHBondContact OD1-CA 3.11Å; D451-K453 VanDerWaalsContact OD1-CB 3.32Å; D451-K453 WeakPolarHBondContact OD1-CB 3.24Å; D451-K453 PolarHBondContact OD1-N 2.83Å; K453-A456 PolarHBondContact O-N 3.22Å; K453-H457 WeakPolarHBondContact CE-NE2 3.46Å; K453-H457 PolarHBondContact O-CD2 2.66Å; K453-H457 PolarHBondContact O-N 3.33Å
454	G	75.9	Confident	71.1	Confident	22 Å²	22	79.5 Å²	79.5	23%	0.227	45%	0.45	C	S	.	.	H	α-helix	trans	-56.2	-48.8	172.3	0	0	0	0	0	112.4	D451 A456 H457 M458	D451-G454 PolarHBondContact O-N 2.94Å; D451-G454 VanDerWaalsContact O-N 3.13Å; D451-G454 PolarHBondContact OD1-N 3.43Å; D451-G454 VanDerWaalsContact OD1-N 3.14Å; D451-G454 WeakPolarHBondContact OD2-CA 3.01Å; D451-G454 PolarHBondContact OD2-N 2.9Å; G454-A456 PolarHBondContact O-N 2.95Å; G454-H457 PolarHBondContact O-N 3.35Å; G454-M458 WeakPolarHBondContact O-CG 3.2Å; G454-M458 PolarHBondContact O-N 3.41Å
455	E	76.8	Confident	72.8	Confident	39 Å²	39	74 Å²	74	18%	0.182	43%	0.429	C	S	.	.	H	α-helix	trans	-59.1	-42.9	176.1	-69.9	-62.8	162.9	0	0	112.2	Q215 L219 M450 D451 M458 F459	Q215-E455 PolarHBondContact NE2-O 2.86Å; Q215-E455 PolarHBondContact NE2-OE2 2.63Å; L219-E455 HydrophobicContact CD1-CG 4.48Å; M450-E455 HydrophobicContact CG-CG 4.29Å; D451-E455 WeakPolarHBondContact O-CB 3.33Å; D451-E455 WeakPolarHBondContact O-CG 3.34Å; D451-E455 PolarHBondContact O-N 3.02Å; E455-M458 PolarHBondContact O-N 2.82Å; E455-M458 WeakPolarHBondContact OE2-CE 3.45Å; E455-F459 WeakPolarHBondContact O-CB 3.46Å; E455-F459 PolarHBondContact O-N 2.91Å
456	A	79.2	Confident	74.5	Confident	58 Å²	58	71.8 Å²	71.8	48%	0.479	42%	0.419	S	S	.	.	H	α-helix	trans	-65.7	-39.2	176.3	0	0	0	0	0	112.9	F452 K453 G454 K460	F452-A456 WeakPolarHBondContact O-CB 3.29Å; F452-A456 PolarHBondContact O-N 2.81Å; F452-A456 VanDerWaalsContact O-N 3.15Å; K453-A456 PolarHBondContact O-N 3.22Å; G454-A456 PolarHBondContact O-N 2.95Å; A456-K460 WeakPolarHBondContact O-CB 3.35Å; A456-K460 PolarHBondContact O-N 3.03Å
457	H	79.9	Confident	76.8	Confident	97 Å²	97	75 Å²	75	45%	0.449	43%	0.425	S	S	.	.	H	α-helix	trans	-65.8	-41.1	173.1	-78.8	-71.4	0	0	0	111.8	K453 G454 K460 A461	K453-H457 WeakPolarHBondContact CE-NE2 3.46Å; K453-H457 PolarHBondContact O-CD2 2.66Å; K453-H457 PolarHBondContact O-N 3.33Å; G454-H457 PolarHBondContact O-N 3.35Å; H457-K460 PolarHBondContact O-N 2.87Å; H457-A461 WeakPolarHBondContact O-CB 3.43Å; H457-A461 PolarHBondContact O-N 2.7Å
458	M	82	Confident	78.9	Confident	90 Å²	90	75.5 Å²	75.5	44%	0.443	41%	0.414	S	S	.	.	H	α-helix	trans	-62.7	-48.4	174.7	-72.7	-164.6	-64.7	0	0	111.5	G454 E455 K460 A461 I462	G454-M458 WeakPolarHBondContact O-CG 3.2Å; G454-M458 PolarHBondContact O-N 3.41Å; E455-M458 PolarHBondContact O-N 2.82Å; E455-M458 WeakPolarHBondContact OE2-CE 3.45Å; M458-K460 VanDerWaalsContact C-N 3.3Å; M458-K460 PolarHBondContact O-N 2.87Å; M458-A461 PolarHBondContact O-N 3.4Å; M458-A461 VanDerWaalsContact O-N 3.11Å; M458-I462 HydrophobicContact CB-CD1 4.46Å; M458-I462 WeakPolarHBondContact O-CD1 3.3Å; M458-I462 VanDerWaalsContact O-CG1 3.26Å; M458-I462 WeakPolarHBondContact O-CG1 3.49Å; M458-I462 PolarHBondContact O-N 2.93Å
459	F	84.5	Confident	80.6	Confident	115 Å²	115	68.2 Å²	68.2	50%	0.504	38%	0.381	S	S	.	.	H	α-helix	trans	-57.4	-42.4	177.3	-178	-91.8	0	0	0	112.1	L212 E455 T463	L212-F459 HydrophobicContact CD2-CD2 3.57Å; L212-F459 HydrophobicContact CD2-CE2 3.79Å; E455-F459 WeakPolarHBondContact O-CB 3.46Å; E455-F459 PolarHBondContact O-N 2.91Å; F459-T463 VanDerWaalsContact O-CB 3.29Å; F459-T463 WeakPolarHBondContact O-CB 3.46Å; F459-T463 PolarHBondContact O-N 3.3Å; F459-T463 PolarHBondContact O-OG1 2.73Å
460	K	87	Confident	82.1	Confident	97 Å²	97	67.9 Å²	67.9	42%	0.422	37%	0.367	S	S	.	.	H	α-helix	trans	-63.2	-43.5	174.8	-177.2	178.1	178.3	179.9	0	112.1	E402 A456 H457 M458 T464	E402-K460 IonicContact OE1-NZ 3.4Å; E402-K460 PolarHBondContact OE1-NZ 3.06Å; E402-K460 IonicContact OE2-NZ 3.54Å; E402-K460 PolarHBondContact OE2-NZ 2.72Å; A456-K460 WeakPolarHBondContact O-CB 3.35Å; A456-K460 PolarHBondContact O-N 3.03Å; H457-K460 PolarHBondContact O-N 2.87Å; M458-K460 VanDerWaalsContact C-N 3.3Å; M458-K460 PolarHBondContact O-N 2.87Å; K460-T464 WeakPolarHBondContact O-CB 3.36Å; K460-T464 PolarHBondContact O-N 3.01Å; K460-T464 PolarHBondContact O-OG1 3.44Å
461	A	85.4	Confident	83.2	Confident	62 Å²	62	69.6 Å²	69.6	51%	0.512	38%	0.382	S	S	.	.	H	α-helix	trans	-64	-47.2	177.4	0	0	0	0	0	111.9	H457 M458 T464 G465	H457-A461 WeakPolarHBondContact O-CB 3.43Å; H457-A461 PolarHBondContact O-N 2.7Å; M458-A461 PolarHBondContact O-N 3.4Å; M458-A461 VanDerWaalsContact O-N 3.11Å; A461-T464 WeakPolarHBondContact O-CB 3.39Å; A461-T464 PolarHBondContact O-N 2.86Å; A461-G465 PolarHBondContact O-N 3.4Å
462	I	85.8	Confident	83.9	Confident	15 Å²	15	67.2 Å²	67.2	8%	0.077	37%	0.367	C	S	.	.	H	α-helix	trans	-65	-44.4	179.9	-61.8	155.4	0	0	0	110.9	F208 I211 L212 M458 T464 G465 I466	F208-I462 HydrophobicContact CB-CG2 3.8Å; F208-I462 HydrophobicContact CD1-CG2 3.94Å; F208-I462 HydrophobicContact CG-CG2 4.08Å; I211-I462 HydrophobicContact CB-CD1 4.26Å; I211-I462 HydrophobicContact CG2-CD1 3.47Å; I211-I462 VanDerWaalsContact CG2-CD1 3.47Å; I211-I462 HydrophobicContact CG2-CG1 4.46Å; L212-I462 HydrophobicContact CD1-CG2 4.11Å; L212-I462 HydrophobicContact CD2-CB 4.34Å; L212-I462 HydrophobicContact CD2-CD1 4.38Å; L212-I462 HydrophobicContact CD2-CG2 4Å; L212-I462 HydrophobicContact CG-CG2 3.79Å; M458-I462 HydrophobicContact CB-CD1 4.46Å; M458-I462 WeakPolarHBondContact O-CD1 3.3Å; M458-I462 VanDerWaalsContact O-CG1 3.26Å; M458-I462 WeakPolarHBondContact O-CG1 3.49Å; M458-I462 PolarHBondContact O-N 2.93Å; I462-T464 VanDerWaalsContact C-N 3.26Å; I462-T464 PolarHBondContact O-N 2.77Å; I462-G465 WeakPolarHBondContact O-CA 3.47Å; I462-G465 PolarHBondContact O-N 3Å; I462-G465 VanDerWaalsContact O-N 3.09Å; I462-I466 HydrophobicContact CG2-CD1 4.03Å; I462-I466 HydrophobicContact CG2-CG1 4.47Å; I462-I466 WeakPolarHBondContact O-CG1 3.31Å; I462-I466 PolarHBondContact O-N 3.49Å
463	T	86.7	Confident	84.1	Confident	50 Å²	50	63.2 Å²	63.2	31%	0.307	35%	0.352	S	S	.	.	H	α-helix	trans	-57.8	-40.1	174.8	-59	0	0	0	0	111.5	F459 I466 L467	F459-T463 VanDerWaalsContact O-CB 3.29Å; F459-T463 WeakPolarHBondContact O-CB 3.46Å; F459-T463 PolarHBondContact O-N 3.3Å; F459-T463 PolarHBondContact O-OG1 2.73Å; T463-I466 PolarHBondContact O-N 2.72Å; T463-L467 HydrophobicContact CG2-CD1 4.26Å; T463-L467 WeakPolarHBondContact O-CG 3.44Å; T463-L467 PolarHBondContact O-N 3.01Å
464	T	87.9	Confident	84.7	Confident	79 Å²	79	60.7 Å²	60.7	49%	0.485	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-38.3	176.3	-54.1	0	0	0	0	111.8	K460 A461 I462 T468	K460-T464 WeakPolarHBondContact O-CB 3.36Å; K460-T464 PolarHBondContact O-N 3.01Å; K460-T464 PolarHBondContact O-OG1 3.44Å; A461-T464 WeakPolarHBondContact O-CB 3.39Å; A461-T464 PolarHBondContact O-N 2.86Å; I462-T464 VanDerWaalsContact C-N 3.26Å; I462-T464 PolarHBondContact O-N 2.77Å; T464-T468 WeakPolarHBondContact O-CB 3.36Å; T464-T468 PolarHBondContact O-N 3.07Å; T464-T468 PolarHBondContact O-OG1 3.45Å
465	G	85.5	Confident	85.1	Confident	17 Å²	17	63 Å²	63	18%	0.175	35%	0.351	C	S	.	.	H	α-helix	trans	-61.7	-46.7	173	0	0	0	0	0	112.8	F208 A461 I462 T468 N469	F208-G465 VanDerWaalsContact CE2-C 3.49Å; A461-G465 PolarHBondContact O-N 3.4Å; I462-G465 WeakPolarHBondContact O-CA 3.47Å; I462-G465 PolarHBondContact O-N 3Å; I462-G465 VanDerWaalsContact O-N 3.09Å; G465-T468 PolarHBondContact O-N 3.35Å; G465-N469 PolarHBondContact O-N 3.2Å
466	I	87.6	Confident	85.3	Confident	39 Å²	39	62.6 Å²	62.6	20%	0.2	35%	0.35	C	S	.	.	H	α-helix	trans	-59.7	-48.3	176.2	-66.4	166.8	0	0	0	110.9	F208 L212 I462 T463 T468 N469 L470	F208-I466 HydrophobicContact CB-CD1 3.95Å; F208-I466 HydrophobicContact CB-CG1 3.64Å; F208-I466 HydrophobicContact CD2-CG1 3.7Å; F208-I466 HydrophobicContact CG-CG1 3.95Å; L212-I466 HydrophobicContact CD1-CD1 3.6Å; I462-I466 HydrophobicContact CG2-CD1 4.03Å; I462-I466 HydrophobicContact CG2-CG1 4.47Å; I462-I466 WeakPolarHBondContact O-CG1 3.31Å; I462-I466 PolarHBondContact O-N 3.49Å; T463-I466 PolarHBondContact O-N 2.72Å; I466-T468 VanDerWaalsContact C-N 3.31Å; I466-T468 PolarHBondContact O-N 3.23Å; I466-N469 PolarHBondContact O-N 2.69Å; I466-L470 HydrophobicContact CG2-CD1 3.86Å; I466-L470 HydrophobicContact CG2-CG 4.35Å; I466-L470 WeakPolarHBondContact O-CB 3.21Å; I466-L470 WeakPolarHBondContact O-CG 3.33Å; I466-L470 PolarHBondContact O-N 3.29Å
467	L	88.3	Confident	85.4	Confident	110 Å²	110	65.9 Å²	65.9	58%	0.576	36%	0.357	S	S	*	.	H	α-helix	trans	-59.7	-40.5	177.6	-74.5	168.3	0	0	0	112.3	T463 S471	T463-L467 HydrophobicContact CG2-CD1 4.26Å; T463-L467 WeakPolarHBondContact O-CG 3.44Å; T463-L467 PolarHBondContact O-N 3.01Å; L467-S471 PolarHBondContact O-N 3.48Å
468	T	87.2	Confident	85.6	Confident	85 Å²	85	66.9 Å²	66.9	52%	0.521	36%	0.362	S	S	.	.	H	α-helix	trans	-65.6	-44.6	178.2	-55.7	0	0	0	0	111.4	T464 G465 I466 S471 H472	T464-T468 WeakPolarHBondContact O-CB 3.36Å; T464-T468 PolarHBondContact O-N 3.07Å; T464-T468 PolarHBondContact O-OG1 3.45Å; G465-T468 PolarHBondContact O-N 3.35Å; I466-T468 VanDerWaalsContact C-N 3.31Å; I466-T468 PolarHBondContact O-N 3.23Å; T468-S471 PolarHBondContact O-N 3.49Å; T468-H472 PolarHBondContact O-N 2.91Å; T468-H472 VanDerWaalsContact O-N 3.1Å
469	N	87.1	Confident	85.6	Confident	8 Å²	8	67 Å²	67	4%	0.043	36%	0.361	C	S	.	.	H	α-helix	trans	-69.5	-37.9	178	-80.4	-6.9	0	0	0	112.7	K201 E204 M205 G465 I466 S471 H472 C473	K201-N469 HydrophobicContact CD-CB 4.16Å; K201-N469 WeakPolarHBondContact CD-OD1 3.31Å; K201-N469 PolarHBondContact NZ-OD1 3.41Å; E204-N469 VanDerWaalsContact CB-ND2 3.27Å; E204-N469 WeakPolarHBondContact CB-ND2 3.28Å; E204-N469 PolarHBondContact OE2-ND2 2.72Å; E204-N469 PolarHBondContact OE2-OD1 3.33Å; M205-N469 HydrophobicContact CG-CB 4.09Å; M205-N469 HydrophobicContact SD-CB 4.42Å; G465-N469 PolarHBondContact O-N 3.2Å; I466-N469 PolarHBondContact O-N 2.69Å; N469-S471 VanDerWaalsContact C-N 3.34Å; N469-S471 PolarHBondContact O-N 2.77Å; N469-H472 PolarHBondContact O-N 2.98Å; N469-C473 PolarHBondContact O-N 3.4Å; N469-C473 PolarHBondContact O-SG 2.75Å
470	L	87.2	Confident	85.3	Confident	74 Å²	74	67 Å²	67	39%	0.387	36%	0.362	S	S	.	.	H	α-helix	trans	-59.1	-43.9	172.1	-77.9	171.1	0	0	0	111.8	M205 I466 H472 C473 I474	M205-L470 HydrophobicContact CE-CD2 3.55Å; M205-L470 HydrophobicContact CE-CG 4.04Å; M205-L470 HydrophobicContact SD-CD2 4.12Å; M205-L470 HydrophobicContact SD-CG 4.37Å; I466-L470 HydrophobicContact CG2-CD1 3.86Å; I466-L470 HydrophobicContact CG2-CG 4.35Å; I466-L470 WeakPolarHBondContact O-CB 3.21Å; I466-L470 WeakPolarHBondContact O-CG 3.33Å; I466-L470 PolarHBondContact O-N 3.29Å; L470-H472 VanDerWaalsContact C-N 3.33Å; L470-H472 PolarHBondContact O-N 3.45Å; L470-C473 PolarHBondContact O-N 3.2Å; L470-I474 WeakPolarHBondContact O-CG1 3.39Å; L470-I474 PolarHBondContact O-N 3.16Å; L470-I474 VanDerWaalsContact O-N 3.08Å
471	S	87.6	Confident	85.1	Confident	64 Å²	64	67.5 Å²	67.5	45%	0.448	37%	0.366	S	S	.	.	H	α-helix	trans	-59.5	-44.6	174.4	-165.9	0	0	0	0	111.5	L467 T468 N469 C473 I474 D475	L467-S471 PolarHBondContact O-N 3.48Å; T468-S471 PolarHBondContact O-N 3.49Å; N469-S471 VanDerWaalsContact C-N 3.34Å; N469-S471 PolarHBondContact O-N 2.77Å; S471-C473 PolarHBondContact O-N 3.27Å; S471-I474 WeakPolarHBondContact O-CB 3.26Å; S471-I474 PolarHBondContact O-N 3.18Å; S471-D475 PolarHBondContact O-N 3.33Å
472	H	84.9	Confident	84.9	Confident	50 Å²	50	68 Å²	68	23%	0.231	36%	0.358	C	S	.	.	H	α-helix	trans	-67.9	-36	-180	-164	41	0	0	0	112.9	T468 N469 L470 I474 D475 I476	T468-H472 PolarHBondContact O-N 2.91Å; T468-H472 VanDerWaalsContact O-N 3.1Å; N469-H472 PolarHBondContact O-N 2.98Å; L470-H472 VanDerWaalsContact C-N 3.33Å; L470-H472 PolarHBondContact O-N 3.45Å; H472-I474 VanDerWaalsContact C-N 3.32Å; H472-I474 PolarHBondContact O-N 2.96Å; H472-D475 PolarHBondContact O-N 2.8Å; H472-I476 WeakPolarHBondContact O-CD1 3.39Å; H472-I476 VanDerWaalsContact O-CG1 3.28Å; H472-I476 WeakPolarHBondContact O-CG1 3.5Å; H472-I476 PolarHBondContact O-N 3.43Å
473	C	84.8	Confident	84.4	Confident	13 Å²	13	72 Å²	72	9%	0.088	38%	0.38	C	S	.	.	H	α-helix	trans	-60.7	-40.5	171.8	-69.5	0	0	0	0	111.8	I198 N469 L470 S471 I476 M477	I198-C473 HydrophobicContact CD1-CB 3.8Å; N469-C473 PolarHBondContact O-N 3.4Å; N469-C473 PolarHBondContact O-SG 2.75Å; L470-C473 PolarHBondContact O-N 3.2Å; S471-C473 PolarHBondContact O-N 3.27Å; C473-I476 PolarHBondContact O-N 3.44Å; C473-M477 VanDerWaalsContact O-CG 3.31Å; C473-M477 WeakPolarHBondContact O-CG 3.44Å; C473-M477 PolarHBondContact O-N 2.74Å
474	I	86.9	Confident	84	Confident	90 Å²	90	75.7 Å²	75.7	46%	0.462	39%	0.388	S	S	.	.	H	α-helix	trans	-64	-45.1	175.3	-67.3	164.9	0	0	0	110.8	L470 S471 H472 I476 M477 Q478	L470-I474 WeakPolarHBondContact O-CG1 3.39Å; L470-I474 PolarHBondContact O-N 3.16Å; L470-I474 VanDerWaalsContact O-N 3.08Å; S471-I474 WeakPolarHBondContact O-CB 3.26Å; S471-I474 PolarHBondContact O-N 3.18Å; H472-I474 VanDerWaalsContact C-N 3.32Å; H472-I474 PolarHBondContact O-N 2.96Å; I474-I476 VanDerWaalsContact C-N 3.31Å; I474-I476 PolarHBondContact O-N 3.46Å; I474-M477 PolarHBondContact O-N 3.49Å; I474-Q478 HydrophobicContact CG2-CG 4.42Å; I474-Q478 WeakPolarHBondContact O-CG 3.31Å; I474-Q478 PolarHBondContact O-N 3.06Å
475	D	84.9	Confident	83.9	Confident	70 Å²	70	78.4 Å²	78.4	37%	0.374	39%	0.389	S	S	.	.	H	α-helix	trans	-58	-43	176.5	-64.8	-29.2	0	0	0	112	S471 H472 Q478 Q479	S471-D475 PolarHBondContact O-N 3.33Å; H472-D475 PolarHBondContact O-N 2.8Å; D475-Q478 PolarHBondContact O-N 3.5Å; D475-Q479 WeakPolarHBondContact O-CG 3.25Å; D475-Q479 PolarHBondContact O-N 2.92Å; D475-Q479 PolarHBondContact O-NE2 2.94Å
476	I	80.5	Confident	83.9	Confident	32 Å²	32	82.2 Å²	82.2	16%	0.164	40%	0.401	C	S	.	.	H	α-helix	trans	-64.8	-43.2	177.8	-68.7	163.8	0	0	0	110.6	Y196 I198 H472 C473 I474 Q479 H480	Y196-I476 WeakPolarHBondContact O-CD1 3.32Å; I198-I476 HydrophobicContact CD1-CG2 4.45Å; H472-I476 WeakPolarHBondContact O-CD1 3.39Å; H472-I476 VanDerWaalsContact O-CG1 3.28Å; H472-I476 WeakPolarHBondContact O-CG1 3.5Å; H472-I476 PolarHBondContact O-N 3.43Å; C473-I476 PolarHBondContact O-N 3.44Å; I474-I476 VanDerWaalsContact C-N 3.31Å; I474-I476 PolarHBondContact O-N 3.46Å; I476-Q479 PolarHBondContact O-N 3.45Å; I476-H480 PolarHBondContact O-N 3.06Å
477	M	81.2	Confident	83.5	Confident	126 Å²	126	83.7 Å²	83.7	62%	0.621	40%	0.404	S	S	*	.	H	α-helix	trans	-65.3	-39.2	177.7	-72.7	177.1	67.8	0	0	112.6	C473 I474 H480 E481	C473-M477 VanDerWaalsContact O-CG 3.31Å; C473-M477 WeakPolarHBondContact O-CG 3.44Å; C473-M477 PolarHBondContact O-N 2.74Å; I474-M477 PolarHBondContact O-N 3.49Å; M477-H480 PolarHBondContact O-N 3.35Å; M477-E481 PolarHBondContact O-N 2.99Å
478	Q	84.1	Confident	83.1	Confident	118 Å²	118	83.7 Å²	83.7	55%	0.551	40%	0.404	S	S	*	.	H	α-helix	trans	-66.6	-41.3	176	-71.5	179.8	14.5	0	0	112.2	I474 D475 H480 E481 E482	I474-Q478 HydrophobicContact CG2-CG 4.42Å; I474-Q478 WeakPolarHBondContact O-CG 3.31Å; I474-Q478 PolarHBondContact O-N 3.06Å; D475-Q478 PolarHBondContact O-N 3.5Å; Q478-H480 VanDerWaalsContact C-N 3.28Å; Q478-H480 PolarHBondContact O-N 2.85Å; Q478-E481 PolarHBondContact O-N 3.41Å; Q478-E482 WeakPolarHBondContact O-CB 3.24Å; Q478-E482 PolarHBondContact O-N 3.46Å
479	Q	83.3	Confident	83	Confident	94 Å²	94	86.1 Å²	86.1	44%	0.439	41%	0.409	S	S	.	.	H	α-helix	trans	-61	-38.9	173.4	-73.1	171.1	46	0	0	111.8	D475 I476 N483	D475-Q479 WeakPolarHBondContact O-CG 3.25Å; D475-Q479 PolarHBondContact O-N 2.92Å; D475-Q479 PolarHBondContact O-NE2 2.94Å; I476-Q479 PolarHBondContact O-N 3.45Å; Q479-N483 WeakPolarHBondContact O-CB 3.16Å; Q479-N483 VanDerWaalsContact O-CG 3.27Å; Q479-N483 PolarHBondContact O-N 3.45Å
480	H	78.1	Confident	82.8	Confident	114 Å²	114	93.1 Å²	93.1	53%	0.528	44%	0.435	S	S	.	.	H	α-helix	trans	-65.3	-48.2	175.8	-175.2	-101.4	0	0	0	112	I476 M477 Q478 E482 N483 W484	I476-H480 PolarHBondContact O-N 3.06Å; M477-H480 PolarHBondContact O-N 3.35Å; Q478-H480 VanDerWaalsContact C-N 3.28Å; Q478-H480 PolarHBondContact O-N 2.85Å; H480-E482 VanDerWaalsContact C-N 3.31Å; H480-E482 PolarHBondContact O-N 3.1Å; H480-N483 PolarHBondContact O-N 3.46Å; H480-W484 AromaticContact CD2-CD1 3.94Å; H480-W484 AromaticContact CD2-NE1 3.83Å; H480-W484 AromaticContact CE1-CD1 3.38Å; H480-W484 AromaticContact CE1-NE1 3.18Å; H480-W484 PolarHBondContact CE1-NE1 3.37Å; H480-W484 AromaticContact ND1-CD1 3.7Å; H480-W484 AromaticContact ND1-NE1 3.96Å; H480-W484 AromaticContact NE2-CD1 3.52Å; H480-W484 AromaticContact NE2-NE1 3.05Å; H480-W484 PolarHBondContact NE2-NE1 2.88Å; H480-W484 VanDerWaalsContact O-CD1 3.29Å; H480-W484 PolarHBondContact O-N 2.82Å
481	E	81.6	Confident	82.2	Confident	107 Å²	107	92.4 Å²	92.4	50%	0.5	43%	0.43	S	S	.	.	H	α-helix	trans	-55.5	-46.8	175.2	-171.1	-162.6	133.6	0	0	111.5	M477 Q478 N483 W484 R485	M477-E481 PolarHBondContact O-N 2.99Å; Q478-E481 PolarHBondContact O-N 3.41Å; E481-N483 PolarHBondContact O-N 2.95Å; E481-W484 PolarHBondContact O-N 2.98Å; E481-R485 PolarHBondContact O-N 3.05Å; E481-R485 IonicContact OE1-CZ 2.65Å; E481-R485 IonicContact OE1-NH1 2.65Å; E481-R485 PolarHBondContact OE1-NH1 3.27Å; E481-R485 IonicContact OE1-NH2 2.93Å; E481-R485 PolarHBondContact OE1-NH2 3.36Å
482	E	81.2	Confident	82.1	Confident	73 Å²	73	94.2 Å²	94.2	34%	0.341	43%	0.434	S	S	.	.	H	α-helix	trans	-67.2	-34.2	-176.9	179.2	55.1	-160.8	0	0	112.9	Q478 H480 R485 K486	Q478-E482 WeakPolarHBondContact O-CB 3.24Å; Q478-E482 PolarHBondContact O-N 3.46Å; H480-E482 VanDerWaalsContact C-N 3.31Å; H480-E482 PolarHBondContact O-N 3.1Å; E482-R485 PolarHBondContact O-N 3.27Å; E482-R485 IonicContact OE2-NH1 3.01Å; E482-K486 VanDerWaalsContact CG-NZ 3.32Å; E482-K486 WeakPolarHBondContact O-CG 3.44Å; E482-K486 PolarHBondContact O-N 2.93Å; E482-K486 VanDerWaalsContact O-N 3.09Å; E482-K486 WeakPolarHBondContact OE1-CE 3.28Å; E482-K486 IonicContact OE1-NZ 3.32Å; E482-K486 PolarHBondContact OE1-NZ 3.43Å
483	N	76.8	Confident	82	Confident	99 Å²	99	94.5 Å²	94.5	53%	0.529	44%	0.435	S	S	.	.	H	α-helix	trans	-67.9	-40.2	172	-74.2	-10.2	0	0	0	111.8	Q479 H480 E481 K486 R487	Q479-N483 WeakPolarHBondContact O-CB 3.16Å; Q479-N483 VanDerWaalsContact O-CG 3.27Å; Q479-N483 PolarHBondContact O-N 3.45Å; H480-N483 PolarHBondContact O-N 3.46Å; E481-N483 PolarHBondContact O-N 2.95Å; N483-K486 PolarHBondContact O-N 3.01Å; N483-R487 WeakPolarHBondContact O-CB 3.33Å; N483-R487 PolarHBondContact O-N 2.88Å
484	W	78.6	Confident	81.9	Confident	127 Å²	127	99.4 Å²	99.4	48%	0.481	45%	0.452	S	S	.	.	H	α-helix	trans	-65.7	-39.5	173.5	-84.6	95.4	0	0	0	112.6	H480 E481 R487 L488	H480-W484 AromaticContact CD2-CD1 3.94Å; H480-W484 AromaticContact CD2-NE1 3.83Å; H480-W484 AromaticContact CE1-CD1 3.38Å; H480-W484 AromaticContact CE1-NE1 3.18Å; H480-W484 PolarHBondContact CE1-NE1 3.37Å; H480-W484 AromaticContact ND1-CD1 3.7Å; H480-W484 AromaticContact ND1-NE1 3.96Å; H480-W484 AromaticContact NE2-CD1 3.52Å; H480-W484 AromaticContact NE2-NE1 3.05Å; H480-W484 PolarHBondContact NE2-NE1 2.88Å; H480-W484 VanDerWaalsContact O-CD1 3.29Å; H480-W484 PolarHBondContact O-N 2.82Å; E481-W484 PolarHBondContact O-N 2.98Å; W484-R487 WeakPolarHBondContact O-CB 3.31Å; W484-R487 PolarHBondContact O-N 3.16Å; W484-R487 VanDerWaalsContact O-N 3.1Å; W484-L488 PolarHBondContact O-N 2.94Å
485	R	84.9	Confident	81.7	Confident	136 Å²	136	102.3 Å²	102.3	51%	0.513	46%	0.457	S	S	.	.	H	α-helix	trans	-56.7	-51.3	173.4	-177.3	-178.7	-96.8	104.4	5.6	110.8	E481 E482 R487 L488 E489	E481-R485 PolarHBondContact O-N 3.05Å; E481-R485 IonicContact OE1-CZ 2.65Å; E481-R485 IonicContact OE1-NH1 2.65Å; E481-R485 PolarHBondContact OE1-NH1 3.27Å; E481-R485 IonicContact OE1-NH2 2.93Å; E481-R485 PolarHBondContact OE1-NH2 3.36Å; E482-R485 PolarHBondContact O-N 3.27Å; E482-R485 IonicContact OE2-NH1 3.01Å; R485-R487 VanDerWaalsContact C-N 3.26Å; R485-R487 PolarHBondContact O-N 3.09Å; R485-L488 PolarHBondContact O-N 2.82Å; R485-E489 PolarHBondContact O-N 3.38Å; R485-E489 VanDerWaalsContact O-N 3.07Å
486	K	86	Confident	81.9	Confident	97 Å²	97	104 Å²	104	42%	0.422	46%	0.458	S	S	.	.	H	α-helix	trans	-62.8	-25.9	174.8	-71.6	178.2	172.4	97.5	0	114	E482 N483 R490	E482-K486 VanDerWaalsContact CG-NZ 3.32Å; E482-K486 WeakPolarHBondContact O-CG 3.44Å; E482-K486 PolarHBondContact O-N 2.93Å; E482-K486 VanDerWaalsContact O-N 3.09Å; E482-K486 WeakPolarHBondContact OE1-CE 3.28Å; E482-K486 IonicContact OE1-NZ 3.32Å; E482-K486 PolarHBondContact OE1-NZ 3.43Å; N483-K486 PolarHBondContact O-N 3.01Å; K486-R490 WeakPolarHBondContact O-CG 3.41Å; K486-R490 PolarHBondContact O-NE 2.63Å
487	R	77.9	Confident	82.3	Confident	70 Å²	70	109.4 Å²	109.4	26%	0.264	48%	0.476	S	S	.	.	H	α-helix	trans	-76.9	-43	175.9	-168	173.9	-176.3	132.6	19.1	111.4	N483 W484 R485 R490 E491 E614 F618	N483-R487 WeakPolarHBondContact O-CB 3.33Å; N483-R487 PolarHBondContact O-N 2.88Å; W484-R487 WeakPolarHBondContact O-CB 3.31Å; W484-R487 PolarHBondContact O-N 3.16Å; W484-R487 VanDerWaalsContact O-N 3.1Å; R485-R487 VanDerWaalsContact C-N 3.26Å; R485-R487 PolarHBondContact O-N 3.09Å; R487-R490 PolarHBondContact O-N 2.91Å; R487-E491 PolarHBondContact O-N 2.92Å; R487-E614 IonicContact CZ-OE1 2.64Å; R487-E614 IonicContact NH1-OE1 2.65Å; R487-E614 PolarHBondContact NH1-OE1 3.3Å; R487-F618 VanDerWaalsContact NH1-CD2 3.3Å; R487-F618 VanDerWaalsContact NH2-CE2 3.28Å
488	L	79.6	Confident	82.4	Confident	110 Å²	110	108.6 Å²	108.6	58%	0.576	47%	0.474	S	S	*	.	H	α-helix	trans	-62.7	-41.9	175.7	179.4	60.5	0	0	0	112.2	W484 R485 E491 I492	W484-L488 PolarHBondContact O-N 2.94Å; R485-L488 PolarHBondContact O-N 2.82Å; L488-E491 WeakPolarHBondContact O-CB 3.41Å; L488-E491 PolarHBondContact O-N 2.9Å; L488-I492 HydrophobicContact CD1-CD1 4.14Å; L488-I492 HydrophobicContact CD1-CG1 4.37Å; L488-I492 HydrophobicContact CG-CD1 3.94Å; L488-I492 WeakPolarHBondContact O-CG1 3.47Å; L488-I492 PolarHBondContact O-N 3Å
489	E	85.4	Confident	82.4	Confident	136 Å²	136	107.4 Å²	107.4	64%	0.636	47%	0.468	S	S	*	.	H	α-helix	trans	-64	-41.7	179.2	-170.3	166.5	-144.5	0	0	112.5	R485 E491 I492 E493	R485-E489 PolarHBondContact O-N 3.38Å; R485-E489 VanDerWaalsContact O-N 3.07Å; E489-E491 VanDerWaalsContact C-N 3.32Å; E489-E491 PolarHBondContact O-N 3.08Å; E489-I492 PolarHBondContact O-N 3.13Å; E489-E493 WeakPolarHBondContact O-CB 3.49Å; E489-E493 PolarHBondContact O-N 2.88Å
490	R	83.6	Confident	82.6	Confident	155 Å²	155	107.1 Å²	107.1	59%	0.585	47%	0.467	S	S	*	.	H	α-helix	trans	-60.3	-39	172	-76.6	178.2	-75	161.4	-7	112.8	K486 R487 R494	K486-R490 WeakPolarHBondContact O-CG 3.41Å; K486-R490 PolarHBondContact O-NE 2.63Å; R487-R490 PolarHBondContact O-N 2.91Å; R490-R494 PolarHBondContact O-N 2.9Å
491	E	75.2	Confident	83	Confident	60 Å²	60	105.3 Å²	105.3	28%	0.28	46%	0.464	S	S	.	.	H	α-helix	trans	-69.2	-42.2	178.8	177.4	58.5	-161	0	0	112.2	R487 L488 E489 R494 R495	R487-E491 PolarHBondContact O-N 2.92Å; L488-E491 WeakPolarHBondContact O-CB 3.41Å; L488-E491 PolarHBondContact O-N 2.9Å; E489-E491 VanDerWaalsContact C-N 3.32Å; E489-E491 PolarHBondContact O-N 3.08Å; E491-R494 PolarHBondContact O-N 3Å; E491-R494 IonicContact OE2-CZ 3.58Å; E491-R494 IonicContact OE2-NH1 3.61Å; E491-R494 PolarHBondContact OE2-NH1 3.33Å; E491-R495 WeakPolarHBondContact O-CG 3.37Å; E491-R495 PolarHBondContact O-N 2.98Å; E491-R495 VanDerWaalsContact O-N 3.12Å; E491-R495 IonicContact OE1-CZ 3.55Å; E491-R495 IonicContact OE1-NE 3.52Å; E491-R495 PolarHBondContact OE1-NE 3.06Å; E491-R495 IonicContact OE1-NH2 3.51Å; E491-R495 PolarHBondContact OE1-NH2 2.76Å
492	I	84.6	Confident	83	Confident	102 Å²	102	105.6 Å²	105.6	52%	0.523	47%	0.466	S	S	.	.	H	α-helix	trans	-61.1	-46	174	-68.9	165.8	0	0	0	110.5	L488 E489 R494 R495 R496	L488-I492 HydrophobicContact CD1-CD1 4.14Å; L488-I492 HydrophobicContact CD1-CG1 4.37Å; L488-I492 HydrophobicContact CG-CD1 3.94Å; L488-I492 WeakPolarHBondContact O-CG1 3.47Å; L488-I492 PolarHBondContact O-N 3Å; E489-I492 PolarHBondContact O-N 3.13Å; I492-R494 PolarHBondContact O-N 3.26Å; I492-R495 PolarHBondContact O-N 3.44Å; I492-R496 PolarHBondContact O-N 3.42Å
493	E	83.8	Confident	83.5	Confident	55 Å²	55	107.5 Å²	107.5	26%	0.257	47%	0.472	S	S	.	.	H	α-helix	trans	-66.2	-35.6	179.2	174	60.1	-174.3	0	0	112.7	E489 R496 R497	E489-E493 WeakPolarHBondContact O-CB 3.49Å; E489-E493 PolarHBondContact O-N 2.88Å; E493-R496 VanDerWaalsContact CD-NH2 3.3Å; E493-R496 PolarHBondContact O-N 2.86Å; E493-R496 IonicContact OE1-CZ 3.58Å; E493-R496 IonicContact OE1-NE 3.01Å; E493-R496 IonicContact OE1-NH2 2.77Å; E493-R496 PolarHBondContact OE1-NH2 2.87Å; E493-R496 IonicContact OE2-CZ 2.73Å; E493-R496 IonicContact OE2-NE 3.96Å; E493-R496 PolarHBondContact OE2-NE 2.91Å; E493-R496 IonicContact OE2-NH2 2.74Å; E493-R496 PolarHBondContact OE2-NH2 3.14Å; E493-R496 VanDerWaalsContact OE2-NH2 3.07Å; E493-R497 VanDerWaalsContact CG-NH2 3.27Å; E493-R497 WeakPolarHBondContact O-CG 3.49Å; E493-R497 PolarHBondContact O-N 2.76Å; E493-R497 IonicContact OE1-CZ 3.43Å; E493-R497 IonicContact OE1-NE 2.7Å; E493-R497 PolarHBondContact OE1-NE 2.93Å; E493-R497 IonicContact OE1-NH2 3.3Å; E493-R497 PolarHBondContact OE1-NH2 3.44Å
494	R	82.1	Confident	84	Confident	117 Å²	117	105 Å²	105	44%	0.442	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-42.9	172	-167.1	-166.2	-77.7	113.7	-16.4	111	R490 E491 I492 R497 L498 D622	R490-R494 PolarHBondContact O-N 2.9Å; E491-R494 PolarHBondContact O-N 3Å; E491-R494 IonicContact OE2-CZ 3.58Å; E491-R494 IonicContact OE2-NH1 3.61Å; E491-R494 PolarHBondContact OE2-NH1 3.33Å; I492-R494 PolarHBondContact O-N 3.26Å; R494-R497 PolarHBondContact O-N 2.84Å; R494-L498 WeakPolarHBondContact O-CG 3.38Å; R494-L498 PolarHBondContact O-N 3.26Å; R494-L498 VanDerWaalsContact O-N 3.14Å; R494-D622 IonicContact NH2-OD2 2.73Å
495	R	83.4	Confident	84.2	Confident	150 Å²	150	104.2 Å²	104.2	57%	0.566	47%	0.469	S	S	*	.	H	α-helix	trans	-64.8	-44.3	177.4	-69.2	173.3	-171.5	-150.1	1.3	112.4	E491 I492 R497 L498 E499	E491-R495 WeakPolarHBondContact O-CG 3.37Å; E491-R495 PolarHBondContact O-N 2.98Å; E491-R495 VanDerWaalsContact O-N 3.12Å; E491-R495 IonicContact OE1-CZ 3.55Å; E491-R495 IonicContact OE1-NE 3.52Å; E491-R495 PolarHBondContact OE1-NE 3.06Å; E491-R495 IonicContact OE1-NH2 3.51Å; E491-R495 PolarHBondContact OE1-NH2 2.76Å; I492-R495 PolarHBondContact O-N 3.44Å; R495-R497 VanDerWaalsContact C-N 3.28Å; R495-R497 PolarHBondContact O-N 3.43Å; R495-L498 PolarHBondContact O-N 3.09Å; R495-L498 VanDerWaalsContact O-N 3.15Å; R495-E499 PolarHBondContact O-N 3.3Å
496	R	89	Confident	84.4	Confident	106 Å²	106	102 Å²	102	40%	0.4	47%	0.466	S	S	.	.	H	α-helix	trans	-53.7	-45.8	175.6	-171.3	-174.4	66.7	78.4	6.4	111.5	I492 E493 E499 E500	I492-R496 PolarHBondContact O-N 3.42Å; E493-R496 VanDerWaalsContact CD-NH2 3.3Å; E493-R496 PolarHBondContact O-N 2.86Å; E493-R496 IonicContact OE1-CZ 3.58Å; E493-R496 IonicContact OE1-NE 3.01Å; E493-R496 IonicContact OE1-NH2 2.77Å; E493-R496 PolarHBondContact OE1-NH2 2.87Å; E493-R496 IonicContact OE2-CZ 2.73Å; E493-R496 IonicContact OE2-NE 3.96Å; E493-R496 PolarHBondContact OE2-NE 2.91Å; E493-R496 IonicContact OE2-NH2 2.74Å; E493-R496 PolarHBondContact OE2-NH2 3.14Å; E493-R496 VanDerWaalsContact OE2-NH2 3.07Å; R496-E499 PolarHBondContact O-N 3.15Å; R496-E500 WeakPolarHBondContact CG-OE1 3.31Å; R496-E500 IonicContact CZ-OE1 2.86Å; R496-E500 IonicContact CZ-OE2 2.74Å; R496-E500 IonicContact NH1-OE1 2.61Å; R496-E500 PolarHBondContact NH1-OE1 2.95Å; R496-E500 IonicContact NH1-OE2 3.75Å; R496-E500 PolarHBondContact NH1-OE2 3.5Å; R496-E500 WeakPolarHBondContact O-CB 3.44Å; R496-E500 WeakPolarHBondContact O-CG 3.22Å; R496-E500 PolarHBondContact O-N 2.88Å
497	R	88.4	Confident	84.5	Confident	146 Å²	146	103.3 Å²	103.3	55%	0.551	47%	0.474	S	S	*	.	H	α-helix	trans	-64.9	-41.2	178	-66.7	170.6	-168.6	172.8	3.1	113	E493 R494 R495 E500 T501	E493-R497 VanDerWaalsContact CG-NH2 3.27Å; E493-R497 WeakPolarHBondContact O-CG 3.49Å; E493-R497 PolarHBondContact O-N 2.76Å; E493-R497 IonicContact OE1-CZ 3.43Å; E493-R497 IonicContact OE1-NE 2.7Å; E493-R497 PolarHBondContact OE1-NE 2.93Å; E493-R497 IonicContact OE1-NH2 3.3Å; E493-R497 PolarHBondContact OE1-NH2 3.44Å; R494-R497 PolarHBondContact O-N 2.84Å; R495-R497 VanDerWaalsContact C-N 3.28Å; R495-R497 PolarHBondContact O-N 3.43Å; R497-E500 PolarHBondContact O-N 3.29Å; R497-T501 PolarHBondContact O-N 3.09Å; R497-T501 PolarHBondContact O-OG1 2.96Å
498	L	83.1	Confident	84.7	Confident	108 Å²	108	106 Å²	106	57%	0.565	49%	0.489	S	S	*	.	H	α-helix	trans	-66.4	-37.9	176.4	-71.7	170.7	0	0	0	112.4	R494 R495 E500 T501 Q502	R494-L498 WeakPolarHBondContact O-CG 3.38Å; R494-L498 PolarHBondContact O-N 3.26Å; R494-L498 VanDerWaalsContact O-N 3.14Å; R495-L498 PolarHBondContact O-N 3.09Å; R495-L498 VanDerWaalsContact O-N 3.15Å; L498-E500 VanDerWaalsContact C-N 3.33Å; L498-T501 PolarHBondContact O-OG1 3Å; L498-Q502 VanDerWaalsContact O-CB 3.29Å; L498-Q502 WeakPolarHBondContact O-CB 3.45Å; L498-Q502 PolarHBondContact O-N 2.99Å
499	E	83.3	Confident	84.8	Confident	94 Å²	94	106.1 Å²	106.1	44%	0.439	49%	0.49	S	S	.	.	H	α-helix	trans	-65.8	-36.4	171.6	-74.5	-173.2	-147	0	0	112.4	R495 R496 K503	R495-E499 PolarHBondContact O-N 3.3Å; R496-E499 PolarHBondContact O-N 3.15Å; E499-K503 WeakPolarHBondContact O-CB 3.39Å; E499-K503 VanDerWaalsContact O-CD 3.23Å; E499-K503 WeakPolarHBondContact O-CD 3.12Å; E499-K503 WeakPolarHBondContact O-CG 2.99Å; E499-K503 PolarHBondContact O-N 3.13Å; E499-K503 IonicContact OE2-NZ 3.13Å; E499-K503 PolarHBondContact OE2-NZ 3.36Å
500	E	88.5	Confident	84.6	Confident	88 Å²	88	104.6 Å²	104.6	41%	0.411	49%	0.486	S	S	.	.	H	α-helix	trans	-70.2	-41.6	178.5	-78	166.8	-170.9	0	0	112.2	R496 R497 L498 K503 A504	R496-E500 WeakPolarHBondContact CG-OE1 3.31Å; R496-E500 IonicContact CZ-OE1 2.86Å; R496-E500 IonicContact CZ-OE2 2.74Å; R496-E500 IonicContact NH1-OE1 2.61Å; R496-E500 PolarHBondContact NH1-OE1 2.95Å; R496-E500 IonicContact NH1-OE2 3.75Å; R496-E500 PolarHBondContact NH1-OE2 3.5Å; R496-E500 WeakPolarHBondContact O-CB 3.44Å; R496-E500 WeakPolarHBondContact O-CG 3.22Å; R496-E500 PolarHBondContact O-N 2.88Å; R497-E500 PolarHBondContact O-N 3.29Å; L498-E500 VanDerWaalsContact C-N 3.33Å; E500-K503 PolarHBondContact O-N 3.43Å; E500-A504 WeakPolarHBondContact O-CB 3Å; E500-A504 PolarHBondContact O-N 2.89Å
501	T	86.1	Confident	84.5	Confident	76 Å²	76	102.8 Å²	102.8	47%	0.466	48%	0.484	S	S	.	.	H	α-helix	trans	-68	-35	172.6	57.3	0	0	0	0	112.1	R497 L498 A504 M505	R497-T501 PolarHBondContact O-N 3.09Å; R497-T501 PolarHBondContact O-OG1 2.96Å; L498-T501 PolarHBondContact O-OG1 3Å; T501-A504 PolarHBondContact O-N 3.09Å; T501-M505 PolarHBondContact O-N 3.13Å
502	Q	82.6	Confident	84.7	Confident	113 Å²	113	104.2 Å²	104.2	53%	0.528	49%	0.493	S	S	.	.	H	α-helix	trans	-62.3	-47.1	171.5	-171.9	-173.2	33.9	0	0	111.6	L498 A504 M505 I506	L498-Q502 VanDerWaalsContact O-CB 3.29Å; L498-Q502 WeakPolarHBondContact O-CB 3.45Å; L498-Q502 PolarHBondContact O-N 2.99Å; Q502-A504 VanDerWaalsContact C-N 3.34Å; Q502-A504 PolarHBondContact O-N 3Å; Q502-M505 PolarHBondContact O-N 3.44Å; Q502-I506 HydrophobicContact CG-CD1 4.03Å; Q502-I506 VanDerWaalsContact O-CG1 3.29Å; Q502-I506 WeakPolarHBondContact O-CG1 2.95Å; Q502-I506 PolarHBondContact O-N 2.98Å
503	K	89.8	Confident	84.3	Confident	112 Å²	112	103.9 Å²	103.9	49%	0.487	49%	0.485	S	S	.	.	H	α-helix	trans	-61.6	-41.1	177.1	-71.9	158	-163.4	164.1	0	111.2	E499 E500 I506 Q507	E499-K503 WeakPolarHBondContact O-CB 3.39Å; E499-K503 VanDerWaalsContact O-CD 3.23Å; E499-K503 WeakPolarHBondContact O-CD 3.12Å; E499-K503 WeakPolarHBondContact O-CG 2.99Å; E499-K503 PolarHBondContact O-N 3.13Å; E499-K503 IonicContact OE2-NZ 3.13Å; E499-K503 PolarHBondContact OE2-NZ 3.36Å; E500-K503 PolarHBondContact O-N 3.43Å; K503-I506 PolarHBondContact O-N 3.23Å; K503-Q507 PolarHBondContact O-N 3.41Å
504	A	88.6	Confident	83.9	Confident	47 Å²	47	106 Å²	106	39%	0.388	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-49.2	175.1	0	0	0	0	0	112.7	E500 T501 Q502 I506 Q507 E508	E500-A504 WeakPolarHBondContact O-CB 3Å; E500-A504 PolarHBondContact O-N 2.89Å; T501-A504 PolarHBondContact O-N 3.09Å; Q502-A504 VanDerWaalsContact C-N 3.34Å; Q502-A504 PolarHBondContact O-N 3Å; A504-I506 VanDerWaalsContact C-N 3.32Å; A504-I506 PolarHBondContact O-N 2.94Å; A504-Q507 WeakPolarHBondContact O-CA 3.5Å; A504-Q507 WeakPolarHBondContact O-CB 3.48Å; A504-Q507 PolarHBondContact O-N 3.01Å; A504-E508 PolarHBondContact O-N 3.37Å
505	M	83.1	Confident	83.5	Confident	111 Å²	111	107.4 Å²	107.4	55%	0.547	52%	0.522	S	S	.	.	H	α-helix	trans	-60.3	-39.2	176.2	-80.6	-172	-75.3	0	0	112.6	T501 Q502 Q507 E508 L509	T501-M505 PolarHBondContact O-N 3.13Å; Q502-M505 PolarHBondContact O-N 3.44Å; M505-Q507 VanDerWaalsContact C-N 3.31Å; M505-Q507 PolarHBondContact O-N 2.69Å; M505-E508 PolarHBondContact O-N 3.06Å; M505-L509 WeakPolarHBondContact O-CB 3.1Å; M505-L509 VanDerWaalsContact O-CG 3.27Å; M505-L509 WeakPolarHBondContact O-CG 3.29Å; M505-L509 PolarHBondContact O-N 2.91Å
506	I	88.5	Confident	82.7	Confident	89 Å²	89	105.8 Å²	105.8	46%	0.456	52%	0.523	S	S	.	.	H	α-helix	trans	-62.8	-40	174.5	-69.9	166.7	0	0	0	110.6	Q502 K503 A504 L510	Q502-I506 HydrophobicContact CG-CD1 4.03Å; Q502-I506 VanDerWaalsContact O-CG1 3.29Å; Q502-I506 WeakPolarHBondContact O-CG1 2.95Å; Q502-I506 PolarHBondContact O-N 2.98Å; K503-I506 PolarHBondContact O-N 3.23Å; A504-I506 VanDerWaalsContact C-N 3.32Å; A504-I506 PolarHBondContact O-N 2.94Å; I506-L510 HydrophobicContact CG2-CD1 4.06Å; I506-L510 WeakPolarHBondContact O-CB 3.49Å; I506-L510 VanDerWaalsContact O-CG 3.25Å; I506-L510 WeakPolarHBondContact O-CG 3.39Å; I506-L510 PolarHBondContact O-N 3.4Å
507	Q	87.9	Confident	80.9	Confident	124 Å²	124	103.3 Å²	103.3	58%	0.579	53%	0.531	S	S	*	.	H	α-helix	trans	-67.1	-41.8	177.1	-169.9	173.1	2.7	0	0	112.5	K503 A504 M505 L510 Q511	K503-Q507 PolarHBondContact O-N 3.41Å; A504-Q507 WeakPolarHBondContact O-CA 3.5Å; A504-Q507 WeakPolarHBondContact O-CB 3.48Å; A504-Q507 PolarHBondContact O-N 3.01Å; M505-Q507 VanDerWaalsContact C-N 3.31Å; M505-Q507 PolarHBondContact O-N 2.69Å; Q507-L510 PolarHBondContact O-N 2.9Å; Q507-Q511 WeakPolarHBondContact O-CG 3.48Å; Q507-Q511 PolarHBondContact O-N 2.96Å
508	E	82	Confident	78.9	Confident	126 Å²	126	101.3 Å²	101.3	59%	0.589	53%	0.53	S	S	*	.	H	α-helix	trans	-65.4	-43.1	174.4	-70.8	-167.1	165.7	0	0	112.2	A504 M505 L510 Q511 L512	A504-E508 PolarHBondContact O-N 3.37Å; M505-E508 PolarHBondContact O-N 3.06Å; E508-L510 VanDerWaalsContact C-N 3.26Å; E508-L510 PolarHBondContact O-N 3.16Å; E508-Q511 PolarHBondContact O-N 3.08Å; E508-Q511 VanDerWaalsContact O-N 3.12Å; E508-L512 WeakPolarHBondContact O-CG 3.34Å; E508-L512 PolarHBondContact O-N 3.22Å
509	L	81.4	Confident	76.8	Confident	114 Å²	114	101.7 Å²	101.7	60%	0.597	54%	0.542	S	S	*	.	H	α-helix	trans	-61	-35.4	174.6	-73.5	171	0	0	0	112	M505 R513	M505-L509 WeakPolarHBondContact O-CB 3.1Å; M505-L509 VanDerWaalsContact O-CG 3.27Å; M505-L509 WeakPolarHBondContact O-CG 3.29Å; M505-L509 PolarHBondContact O-N 2.91Å; L509-R513 WeakPolarHBondContact O-CB 3.31Å; L509-R513 PolarHBondContact O-N 3.15Å
510	L	81.7	Confident	74.8	Confident	103 Å²	103	102.1 Å²	102.1	54%	0.539	55%	0.551	S	S	.	*	H	α-helix	trans	-70	-37.5	173.2	-73.1	168.9	0	0	0	112.6	I506 Q507 E508 S514	I506-L510 HydrophobicContact CG2-CD1 4.06Å; I506-L510 WeakPolarHBondContact O-CB 3.49Å; I506-L510 VanDerWaalsContact O-CG 3.25Å; I506-L510 WeakPolarHBondContact O-CG 3.39Å; I506-L510 PolarHBondContact O-N 3.4Å; Q507-L510 PolarHBondContact O-N 2.9Å; E508-L510 VanDerWaalsContact C-N 3.26Å; E508-L510 PolarHBondContact O-N 3.16Å; L510-S514 WeakPolarHBondContact O-CB 3.36Å; L510-S514 PolarHBondContact O-N 3.37Å
511	Q	82.1	Confident	72.5	Confident	117 Å²	117	102.8 Å²	102.8	55%	0.547	57%	0.565	S	S	.	*	H	α-helix	trans	-65.6	-47.6	173.2	-72.8	-175.2	8.9	0	0	112	Q507 E508 R513 S514 L515	Q507-Q511 WeakPolarHBondContact O-CG 3.48Å; Q507-Q511 PolarHBondContact O-N 2.96Å; E508-Q511 PolarHBondContact O-N 3.08Å; E508-Q511 VanDerWaalsContact O-N 3.12Å; Q511-R513 VanDerWaalsContact C-N 3.3Å; Q511-R513 PolarHBondContact O-N 2.88Å; Q511-S514 WeakPolarHBondContact O-CB 3.41Å; Q511-S514 PolarHBondContact O-N 2.91Å; Q511-S514 VanDerWaalsContact O-N 3.13Å; Q511-L515 PolarHBondContact O-N 3.32Å
512	L	79.5	Confident	70.3	Confident	91 Å²	91	106.2 Å²	106.2	48%	0.476	58%	0.579	S	S	.	*	H	α-helix	trans	-59.9	-41.5	175.6	-71	171.1	0	0	0	111.3	E508 S514 L515 I516	E508-L512 WeakPolarHBondContact O-CG 3.34Å; E508-L512 PolarHBondContact O-N 3.22Å; L512-S514 VanDerWaalsContact C-N 3.33Å; L512-S514 PolarHBondContact O-N 3.43Å; L512-L515 PolarHBondContact O-N 3.4Å; L512-I516 WeakPolarHBondContact O-CD1 3.22Å; L512-I516 VanDerWaalsContact O-CG1 3.24Å; L512-I516 WeakPolarHBondContact O-CG1 3.43Å; L512-I516 PolarHBondContact O-N 2.94Å
513	R	75.2	Confident	68.1	Low	95 Å²	95	105.5 Å²	105.5	36%	0.358	58%	0.583	S	S	.	*	H	α-helix	trans	-61.3	-40	174.3	-177	178.7	-178.7	173.7	3	112.8	L509 Q511 G517 L518 T520	L509-R513 WeakPolarHBondContact O-CB 3.31Å; L509-R513 PolarHBondContact O-N 3.15Å; Q511-R513 VanDerWaalsContact C-N 3.3Å; Q511-R513 PolarHBondContact O-N 2.88Å; R513-G517 PolarHBondContact O-N 2.99Å; R513-L518 PolarHBondContact NE-O 3.32Å; R513-L518 PolarHBondContact NH2-O 2.98Å; R513-T520 VanDerWaalsContact NH2-C 3.27Å; R513-T520 PolarHBondContact NH2-O 2.85Å
514	S	76.5	Confident	65.3	Low	100 Å²	100	106.9 Å²	106.9	70%	0.699	60%	0.601	S	S	*	*	H	α-helix	trans	-63.7	-40.6	175.1	-168.6	0	0	0	0	111.9	L510 Q511 L512	L510-S514 WeakPolarHBondContact O-CB 3.36Å; L510-S514 PolarHBondContact O-N 3.37Å; Q511-S514 WeakPolarHBondContact O-CB 3.41Å; Q511-S514 PolarHBondContact O-N 2.91Å; Q511-S514 VanDerWaalsContact O-N 3.13Å; L512-S514 VanDerWaalsContact C-N 3.33Å; L512-S514 PolarHBondContact O-N 3.43Å
515	L	72.6	Confident	62.8	Low	146 Å²	146	110 Å²	110	76%	0.764	62%	0.615	S	S	*	*	H	α-helix	trans	-68.8	-35.1	178.2	-83	159.4	0	0	0	114	Q511 L512	Q511-L515 PolarHBondContact O-N 3.32Å; L512-L515 PolarHBondContact O-N 3.4Å
516	I	67	Low	60.5	Low	115 Å²	115	111.2 Å²	111.2	59%	0.59	63%	0.629	S	S	*	*	H	α-helix	trans	-92.3	-6.7	-174.1	-55.6	163.1	0	0	0	111.7	L512 L518	L512-I516 WeakPolarHBondContact O-CD1 3.22Å; L512-I516 VanDerWaalsContact O-CG1 3.24Å; L512-I516 WeakPolarHBondContact O-CG1 3.43Å; L512-I516 PolarHBondContact O-N 2.94Å; I516-L518 VanDerWaalsContact C-N 3.3Å; I516-L518 HydrophobicContact CB-CD1 4.39Å; I516-L518 HydrophobicContact CG2-CD1 3.67Å; I516-L518 HydrophobicContact CG2-CG 3.97Å; I516-L518 PolarHBondContact O-N 3.16Å
517	G	50.4	Low	57.8	Low	55 Å²	55	113.4 Å²	113.4	57%	0.567	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	72	16.1	173.9	0	0	0	0	0	115.3	R513 S519	R513-G517 PolarHBondContact O-N 2.99Å; G517-S519 PolarHBondContact O-N 2.86Å
518	L	47.9	Very low	55.2	Low	103 Å²	103	114.3 Å²	114.3	54%	0.539	66%	0.661	S	S	.	*			trans	-81.6	88.6	-174	-72	168.6	0	0	0	112.5	R513 I516 T520	R513-L518 PolarHBondContact NE-O 3.32Å; R513-L518 PolarHBondContact NH2-O 2.98Å; I516-L518 VanDerWaalsContact C-N 3.3Å; I516-L518 HydrophobicContact CB-CD1 4.39Å; I516-L518 HydrophobicContact CG2-CD1 3.67Å; I516-L518 HydrophobicContact CG2-CG 3.97Å; I516-L518 PolarHBondContact O-N 3.16Å; L518-T520 VanDerWaalsContact C-N 3.29Å; L518-T520 PolarHBondContact O-N 2.9Å
519	S	38.4	Very low	52.8	Low	116 Å²	116	114.4 Å²	114.4	81%	0.811	67%	0.671	S	S	*	*			trans	-83.9	44	-179.9	50.7	0	0	0	0	114.6	G517	G517-S519 PolarHBondContact O-N 2.86Å
520	T	42.1	Very low	50.7	Low	103 Å²	103	115.7 Å²	115.7	63%	0.632	68%	0.683	S	S	*	*			trans	-95.3	106.6	172.6	22	0	0	0	0	112.4	R513 L518 I522	R513-T520 VanDerWaalsContact NH2-C 3.27Å; R513-T520 PolarHBondContact NH2-O 2.85Å; L518-T520 VanDerWaalsContact C-N 3.29Å; L518-T520 PolarHBondContact O-N 2.9Å; T520-I522 PolarHBondContact O-N 3.36Å
521	S	39.4	Very low	48.3	Very low	102 Å²	102	117.1 Å²	117.1	71%	0.713	70%	0.696	S	S	*	*			trans	-63.8	112.7	177.1	49.9	0	0	0	0	111.9	T523	S521-T523 PolarHBondContact O-N 2.88Å
522	I	39.6	Very low	46	Very low	148 Å²	148	115.8 Å²	115.8	76%	0.759	71%	0.705	S	S	*	*			trans	-85.6	96.6	167.3	-60.5	178.5	0	0	0	107.2	T520 T524	T520-I522 PolarHBondContact O-N 3.36Å; I522-T524 PolarHBondContact O-N 3.08Å
523	T	36.5	Very low	43.9	Very low	99 Å²	99	117.5 Å²	117.5	61%	0.607	72%	0.72	S	S	*	*			trans	-75.7	116.4	173.4	-53.2	0	0	0	0	109.3	S521 T525	S521-T523 PolarHBondContact O-N 2.88Å; T523-T525 VanDerWaalsContact C-N 3.35Å; T523-T525 HydrophobicContact CG2-CG2 3.84Å; T523-T525 PolarHBondContact O-N 3.01Å
524	T	31.8	Very low	41.8	Very low	141 Å²	141	117.4 Å²	117.4	87%	0.865	73%	0.734	S	S	*	*			trans	-75.1	83.1	172.3	33.6	0	0	0	0	110.8	I522	I522-T524 PolarHBondContact O-N 3.08Å
525	T	35.3	Very low	39.8	Very low	111 Å²	111	121.2 Å²	121.2	68%	0.681	74%	0.74	S	S	*	*			trans	-117.1	117.4	173.9	36.6	0	0	0	0	112.2	T523	T523-T525 VanDerWaalsContact C-N 3.35Å; T523-T525 HydrophobicContact CG2-CG2 3.84Å; T523-T525 PolarHBondContact O-N 3.01Å
526	T	34.8	Very low	37.7	Very low	137 Å²	137	118.9 Å²	118.9	84%	0.84	74%	0.736	S	S	*	*			trans	-58.4	140.9	175.2	-31.2	0	0	0	0	111.6	T528	T526-T528 PolarHBondContact O-N 3.05Å
527	T	32.5	Very low	36.2	Very low	136 Å²	136	122 Å²	122	83%	0.834	75%	0.748	S	S	*	*			trans	-72.7	118.7	-179.1	44.5	0	0	0	0	113.1
528	T	33.7	Very low	35.3	Very low	143 Å²	143	127.1 Å²	127.1	88%	0.877	76%	0.757	S	S	*	*			trans	-133.2	145	151.3	30.6	0	0	0	0	110.1	T526	T526-T528 PolarHBondContact O-N 3.05Å
529	T	30.5	Very low	34.7	Very low	128 Å²	128	130.3 Å²	130.3	79%	0.785	77%	0.773	S	S	*	*			trans	-70.8	141.5	-166	48.4	0	0	0	0	115.3
530	T	36.7	Very low	34.2	Very low	140 Å²	140	131.3 Å²	131.3	86%	0.859	77%	0.765	S	S	*	*				-172.7	152.5	116.8	23.8	0	0	0	0	114.3
531	T	31.7	Very low	33.8	Very low	133 Å²	133	134.4 Å²	134.4	82%	0.816	77%	0.772	S	S	*	*			trans	-47	148.9	176.3	50	0	0	0	0	119.2
532	A	34.7	Very low	33.4	Very low	89 Å²	89	135.7 Å²	135.7	74%	0.736	77%	0.766	S	S	*	*				163.6	126.4	107.4	0	0	0	0	0	117.4
533	T	34.3	Very low	33.1	Very low	128 Å²	128	138.3 Å²	138.3	79%	0.785	77%	0.768	S	S	*	*			trans	38.7	105.9	146.1	42	0	0	0	0	125.1
534	S	32.1	Very low	32.8	Very low	92 Å²	92	141 Å²	141	64%	0.643	78%	0.778	S	S	*	*				43.5	130.7	116.8	64.8	0	0	0	0	124.3
535	H	33.8	Very low	32.8	Very low	180 Å²	180	139.9 Å²	139.9	83%	0.833	77%	0.773	S	S	*	*				-166	179.7	111.6	-108.2	75	0	0	0	113.6
536	S	29.6	Very low	32.7	Very low	97 Å²	97	140.2 Å²	140.2	68%	0.678	78%	0.78	S	S	*	*			trans	-140.6	168.6	-159.8	60.9	0	0	0	0	115.8
537	Q	35.3	Very low	32.4	Very low	180 Å²	180	143.6 Å²	143.6	84%	0.841	79%	0.786	S	S	*	*			trans	136.8	130.5	160.3	-77	162	28.2	0	0	110.2
538	Q	30.2	Very low	32.3	Very low	163 Å²	163	140.3 Å²	140.3	76%	0.762	78%	0.779	S	S	*	*			cis	102.9	97.7	13.6	-167	-169.1	22.9	0	0	115.6
539	I	35	Very low	32.2	Very low	170 Å²	170	145 Å²	145	87%	0.872	78%	0.781	S	S	*	*			trans	-141.9	155.7	157.2	-63.4	-172.4	0	0	0	108.8
540	Q	28.1	Very low	32.1	Very low	137 Å²	137	147.5 Å²	147.5	64%	0.64	78%	0.781	S	S	*	*			trans	-114.5	168.2	-171.6	-59.6	171.7	-24.5	0	0	113.1
541	H	34.4	Very low	31.9	Very low	169 Å²	169	149.6 Å²	149.6	78%	0.782	78%	0.778	S	S	*	*				176.6	162.4	116.7	-90.4	-67.7	0	0	0	114.1
542	H	30.2	Very low	31.8	Very low	129 Å²	129	148 Å²	148	60%	0.597	77%	0.773	S	S	*	*			trans	-66.6	172.3	-163.9	-61.3	-131.1	0	0	0	115.6
543	Y	33.6	Very low	31.6	Very low	203 Å²	203	154.8 Å²	154.8	80%	0.796	78%	0.781	S	S	*	*			cis	-156.8	137.9	34.6	-86.2	-89.9	0	0	0	115.7
544	L	30.5	Very low	31.4	Very low	154 Å²	154	151.9 Å²	151.9	81%	0.806	78%	0.776	S	S	*	*			trans	47.1	161	133	-97.5	77.1	0	0	0	123.3
545	P	31.8	Very low	31.3	Very low	118 Å²	118	155.9 Å²	155.9	77%	0.766	79%	0.79	S	S	*	*				-131	168.9	-116.3	42.6	-26.5	0	0	0	117.5
546	S	34	Very low	31.1	Very low	118 Å²	118	152 Å²	152	83%	0.825	78%	0.783	S	S	*	*			trans	-142.5	170.4	163.2	65.1	0	0	0	0	111.4	G548	S546-G548 PolarHBondContact O-N 3.18Å
547	H	28.6	Very low	31.1	Very low	208 Å²	208	155 Å²	155	96%	0.963	79%	0.791	S	S	*	*	S	Bend	trans	-70.6	119.5	-170.1	-84.2	-120.1	0	0	0	113.7
548	G	29.9	Very low	30.8	Very low	67 Å²	67	151 Å²	151	69%	0.691	78%	0.775	S	S	*	*			trans	-177.2	86.4	170	0	0	0	0	0	113.5	S546 F550	S546-G548 PolarHBondContact O-N 3.18Å; G548-F550 VanDerWaalsContact C-N 3.34Å; G548-F550 PolarHBondContact O-N 3.19Å
549	R	31.3	Very low	30.8	Very low	242 Å²	242	152.5 Å²	152.5	91%	0.913	78%	0.78	S	S	*	*			trans	-82.3	75.6	174.3	-78.6	-168	179.6	179.3	2.2	111.8
550	F	28	Very low	30.6	Very low	181 Å²	181	150.7 Å²	150.7	79%	0.794	77%	0.765	S	S	*	*			trans	-83.8	114.3	154.9	-97.7	-89.9	0	0	0	109.5	G548	G548-F550 VanDerWaalsContact C-N 3.34Å; G548-F550 PolarHBondContact O-N 3.19Å
551	F	32.4	Very low	30.7	Very low	183 Å²	183	152.1 Å²	152.1	80%	0.803	77%	0.772	S	S	*	*			trans	-120.8	107.8	154.4	-74	-89.3	0	0	0	104.8
552	S	30.5	Very low	30.5	Very low	100 Å²	100	153.2 Å²	153.2	70%	0.699	78%	0.775	S	S	*	*				68.1	57.5	58.7	-155.1	0	0	0	0	113.4
553	Y	30.2	Very low	30.7	Very low	232 Å²	232	149.3 Å²	149.3	91%	0.91	76%	0.762	S	S	*	*				-116.6	145.3	121.9	-71.1	-95.3	0	0	0	106
554	G	30.9	Very low	31	Very low	66 Å²	66	145 Å²	145	68%	0.68	75%	0.752	S	S	*	*			cis	138.6	105.9	7.2	0	0	0	0	0	107.8	S556	G554-S556 PolarHBondContact O-N 2.9Å
555	N	28.8	Very low	31.3	Very low	177 Å²	177	142.2 Å²	142.2	95%	0.947	74%	0.738	S	S	*	*			trans	-50.2	118.3	-162.9	-66.7	-10.4	0	0	0	114.8
556	S	29.6	Very low	31.9	Very low	98 Å²	98	140.1 Å²	140.1	69%	0.685	72%	0.72	S	S	*	*			trans	-153.7	86.1	149	-164.7	0	0	0	0	110.6	G554 D558	G554-S556 PolarHBondContact O-N 2.9Å; S556-D558 PolarHBondContact O-N 3.34Å; S556-D558 VanDerWaalsContact O-N 3.08Å
557	L	29.3	Very low	32.2	Very low	159 Å²	159	141 Å²	141	83%	0.832	71%	0.71	S	S	*	*			trans	-78.9	70.9	165.1	-86.1	169	0	0	0	108.8	F559	L557-F559 VanDerWaalsContact C-N 3.28Å; L557-F559 HydrophobicContact CD2-CE2 4.49Å; L557-F559 PolarHBondContact O-N 2.92Å
558	D	28.7	Very low	33.1	Very low	97 Å²	97	136.1 Å²	136.1	52%	0.519	69%	0.686	S	S	.	*			trans	-82.4	76.5	-179.9	-132.4	35.1	0	0	0	111.5	S556 K560	S556-D558 PolarHBondContact O-N 3.34Å; S556-D558 VanDerWaalsContact O-N 3.08Å; D558-K560 PolarHBondContact O-N 3.34Å; D558-K560 IonicContact OD1-NZ 3.91Å; D558-K560 PolarHBondContact OD1-NZ 2.8Å; D558-K560 WeakPolarHBondContact OD2-CD 3.19Å; D558-K560 IonicContact OD2-NZ 3.39Å; D558-K560 PolarHBondContact OD2-NZ 3.02Å
559	F	30.2	Very low	33.7	Very low	195 Å²	195	137.4 Å²	137.4	86%	0.855	67%	0.673	S	S	*	*			trans	-62.9	72.3	163.7	-94.8	-89.3	0	0	0	109.7	L557	L557-F559 VanDerWaalsContact C-N 3.28Å; L557-F559 HydrophobicContact CD2-CE2 4.49Å; L557-F559 PolarHBondContact O-N 2.92Å
560	K	30.9	Very low	34.1	Very low	131 Å²	131	129.3 Å²	129.3	57%	0.57	65%	0.654	S	S	*	*			trans	-132.4	-5.9	-175.9	-75	-147.2	-167.8	78.6	0	115.9	D558	D558-K560 PolarHBondContact O-N 3.34Å; D558-K560 IonicContact OD1-NZ 3.91Å; D558-K560 PolarHBondContact OD1-NZ 2.8Å; D558-K560 WeakPolarHBondContact OD2-CD 3.19Å; D558-K560 IonicContact OD2-NZ 3.39Å; D558-K560 PolarHBondContact OD2-NZ 3.02Å
561	H	30.9	Very low	34.7	Very low	168 Å²	168	125.3 Å²	125.3	78%	0.778	64%	0.639	S	S	*	*	S	Bend	trans	-87.4	-9.9	-176.8	-123.9	-74.1	0	0	0	115.6
562	F	29.8	Very low	35.3	Very low	191 Å²	191	119.5 Å²	119.5	84%	0.838	62%	0.621	S	S	*	*			trans	-97.9	88.2	159	-90.6	-85.8	0	0	0	109.9
563	S	35.2	Very low	36	Very low	47 Å²	47	120.5 Å²	120.5	33%	0.329	61%	0.613	S	S	.	*			trans	-125.6	136.8	147.3	-177.3	0	0	0	0	109.7	D565 N566	S563-D565 PolarHBondContact O-N 2.83Å; S563-D565 VanDerWaalsContact O-N 3.08Å; S563-D565 WeakPolarHBondContact OG-CB 3.23Å; S563-D565 VanDerWaalsContact OG-CG 3.26Å; S563-D565 PolarHBondContact OG-N 3.26Å; S563-D565 PolarHBondContact OG-OD2 3.24Å; S563-N566 PolarHBondContact O-N 2.93Å; S563-N566 VanDerWaalsContact O-N 3.16Å
564	L	39	Very low	36.3	Very low	114 Å²	114	113.2 Å²	113.2	60%	0.597	60%	0.595	S	S	*	*	H	α-helix	trans	-52.6	-24.1	167	-177.6	62.9	0	0	0	112	F567 K568	L564-F567 PolarHBondContact O-N 2.77Å; L564-K568 HydrophobicContact CG-CD 4.35Å; L564-K568 HydrophobicContact CG-CG 4.47Å; L564-K568 WeakPolarHBondContact O-CG 3.29Å; L564-K568 PolarHBondContact O-N 3Å
565	D	38.3	Very low	36.7	Very low	94 Å²	94	114 Å²	114	50%	0.503	58%	0.584	S	S	.	*	H	α-helix	trans	-67.9	-33.3	179.9	-54	-43.8	0	0	0	112.9	S563 F567 K568 E569	S563-D565 PolarHBondContact O-N 2.83Å; S563-D565 VanDerWaalsContact O-N 3.08Å; S563-D565 WeakPolarHBondContact OG-CB 3.23Å; S563-D565 VanDerWaalsContact OG-CG 3.26Å; S563-D565 PolarHBondContact OG-N 3.26Å; S563-D565 PolarHBondContact OG-OD2 3.24Å; D565-F567 VanDerWaalsContact C-N 3.33Å; D565-F567 PolarHBondContact O-N 3.49Å; D565-K568 CarbonylContact O-C 3.6Å; D565-K568 PolarHBondContact O-N 3.38Å; D565-K568 IonicContact OD1-NZ 2.6Å; D565-E569 VanDerWaalsContact O-CB 3.25Å; D565-E569 WeakPolarHBondContact O-CB 3.4Å; D565-E569 PolarHBondContact O-N 2.9Å
566	N	42.5	Very low	37.3	Very low	74 Å²	74	109.3 Å²	109.3	40%	0.396	56%	0.561	S	S	.	*	H	α-helix	trans	-67.4	-35.1	175.8	-81.3	-14.5	0	0	0	112.2	S563 S570	S563-N566 PolarHBondContact O-N 2.93Å; S563-N566 VanDerWaalsContact O-N 3.16Å; N566-S570 PolarHBondContact O-N 2.81Å; N566-S570 PolarHBondContact O-OG 2.89Å
567	F	42.1	Very low	37.8	Very low	137 Å²	137	110.6 Å²	110.6	60%	0.601	56%	0.559	S	S	*	*	H	α-helix	trans	-71.2	-44.5	173.5	-174.6	-100.4	0	0	0	110.9	L564 D565 E569 S570 M571	L564-F567 PolarHBondContact O-N 2.77Å; D565-F567 VanDerWaalsContact C-N 3.33Å; D565-F567 PolarHBondContact O-N 3.49Å; F567-E569 VanDerWaalsContact C-N 3.31Å; F567-E569 PolarHBondContact O-N 2.93Å; F567-S570 PolarHBondContact O-N 3Å; F567-M571 HydrophobicContact CD1-CG 4.24Å; F567-M571 HydrophobicContact CE1-CG 3.93Å; F567-M571 HydrophobicContact CZ-CG 4.17Å; F567-M571 HydrophobicContact CZ-SD 4.46Å; F567-M571 WeakPolarHBondContact O-CB 3.33Å; F567-M571 WeakPolarHBondContact O-CG 3.44Å; F567-M571 PolarHBondContact O-N 2.89Å
568	K	47	Very low	38.3	Very low	106 Å²	106	109.1 Å²	109.1	46%	0.461	55%	0.551	S	S	.	*	H	α-helix	trans	-60.4	-37.3	172.3	-74.7	174.9	179.4	168.5	0	112.7	L564 D565 M571 S572	L564-K568 HydrophobicContact CG-CD 4.35Å; L564-K568 HydrophobicContact CG-CG 4.47Å; L564-K568 WeakPolarHBondContact O-CG 3.29Å; L564-K568 PolarHBondContact O-N 3Å; D565-K568 CarbonylContact O-C 3.6Å; D565-K568 PolarHBondContact O-N 3.38Å; D565-K568 IonicContact OD1-NZ 2.6Å; K568-M571 PolarHBondContact O-N 2.93Å; K568-S572 WeakPolarHBondContact O-CA 3.37Å; K568-S572 WeakPolarHBondContact O-CB 3.35Å; K568-S572 PolarHBondContact O-N 2.85Å; K568-S572 PolarHBondContact O-OG 3.1Å
569	E	41	Very low	38.7	Very low	93 Å²	93	106.9 Å²	106.9	44%	0.435	55%	0.551	S	S	.	*	H	α-helix	trans	-73.8	-35.6	-179.4	-163.9	-175	148.6	0	0	110.9	D565 F567 S572 K573	D565-E569 VanDerWaalsContact O-CB 3.25Å; D565-E569 WeakPolarHBondContact O-CB 3.4Å; D565-E569 PolarHBondContact O-N 2.9Å; F567-E569 VanDerWaalsContact C-N 3.31Å; F567-E569 PolarHBondContact O-N 2.93Å; E569-S572 PolarHBondContact O-N 3.18Å; E569-K573 HydrophobicContact CG-CD 4.36Å; E569-K573 WeakPolarHBondContact O-CB 3.17Å; E569-K573 VanDerWaalsContact O-CG 3.27Å; E569-K573 WeakPolarHBondContact O-CG 3.39Å; E569-K573 PolarHBondContact O-N 3.45Å; E569-K573 WeakPolarHBondContact OE1-CE 3.31Å; E569-K573 IonicContact OE1-NZ 2.78Å; E569-K573 PolarHBondContact OE1-NZ 3.09Å
570	S	41.6	Very low	39.1	Very low	72 Å²	72	103.4 Å²	103.4	50%	0.503	54%	0.541	S	S	.	.	H	α-helix	trans	-64.3	-47.8	170	-59.2	0	0	0	0	111.5	N566 F567 S572 K573 C574	N566-S570 PolarHBondContact O-N 2.81Å; N566-S570 PolarHBondContact O-OG 2.89Å; F567-S570 PolarHBondContact O-N 3Å; S570-S572 VanDerWaalsContact C-N 3.32Å; S570-S572 PolarHBondContact O-N 3.07Å; S570-K573 PolarHBondContact O-N 3Å; S570-C574 PolarHBondContact O-N 3.32Å; S570-C574 PolarHBondContact O-SG 3.13Å
571	M	40.1	Very low	39.3	Very low	98 Å²	98	103.9 Å²	103.9	48%	0.483	55%	0.55	S	S	.	.	H	α-helix	trans	-61.8	-38.7	174.6	-72.4	-74.2	-83	0	0	112.2	F567 K568 C574 N575	F567-M571 HydrophobicContact CD1-CG 4.24Å; F567-M571 HydrophobicContact CE1-CG 3.93Å; F567-M571 HydrophobicContact CZ-CG 4.17Å; F567-M571 HydrophobicContact CZ-SD 4.46Å; F567-M571 WeakPolarHBondContact O-CB 3.33Å; F567-M571 WeakPolarHBondContact O-CG 3.44Å; F567-M571 PolarHBondContact O-N 2.89Å; K568-M571 PolarHBondContact O-N 2.93Å; M571-C574 PolarHBondContact O-N 3.43Å; M571-N575 WeakPolarHBondContact O-CB 3.24Å; M571-N575 VanDerWaalsContact O-CG 3.26Å; M571-N575 PolarHBondContact O-N 2.89Å; M571-N575 PolarHBondContact O-ND2 3.41Å
572	S	44.9	Very low	39.6	Very low	60 Å²	60	101.6 Å²	101.6	42%	0.42	55%	0.548	S	S	.	.	H	α-helix	trans	-70.8	-39.6	177.3	-61.1	0	0	0	0	111.6	K568 E569 S570 C574 N575 T576	K568-S572 WeakPolarHBondContact O-CA 3.37Å; K568-S572 WeakPolarHBondContact O-CB 3.35Å; K568-S572 PolarHBondContact O-N 2.85Å; K568-S572 PolarHBondContact O-OG 3.1Å; E569-S572 PolarHBondContact O-N 3.18Å; S570-S572 VanDerWaalsContact C-N 3.32Å; S570-S572 PolarHBondContact O-N 3.07Å; S572-C574 VanDerWaalsContact C-N 3.34Å; S572-C574 PolarHBondContact O-N 3.37Å; S572-N575 PolarHBondContact O-N 2.82Å; S572-T576 VanDerWaalsContact O-CB 3.31Å; S572-T576 WeakPolarHBondContact O-CB 3.29Å; S572-T576 PolarHBondContact O-N 2.84Å; S572-T576 PolarHBondContact O-OG1 2.9Å
573	K	45.6	Very low	39.7	Very low	121 Å²	121	98.4 Å²	98.4	53%	0.526	54%	0.544	S	S	.	.	H	α-helix	trans	-60.9	-43.1	173.7	-79.4	168.5	-179.9	166.1	0	111.4	E569 S570 I577	E569-K573 HydrophobicContact CG-CD 4.36Å; E569-K573 WeakPolarHBondContact O-CB 3.17Å; E569-K573 VanDerWaalsContact O-CG 3.27Å; E569-K573 WeakPolarHBondContact O-CG 3.39Å; E569-K573 PolarHBondContact O-N 3.45Å; E569-K573 WeakPolarHBondContact OE1-CE 3.31Å; E569-K573 IonicContact OE1-NZ 2.78Å; E569-K573 PolarHBondContact OE1-NZ 3.09Å; S570-K573 PolarHBondContact O-N 3Å; K573-I577 WeakPolarHBondContact O-CD1 3.11Å; K573-I577 VanDerWaalsContact O-CG1 3.28Å; K573-I577 WeakPolarHBondContact O-CG1 3.47Å; K573-I577 PolarHBondContact O-N 3.45Å
574	C	36.6	Very low	39.6	Very low	79 Å²	79	103.6 Å²	103.6	53%	0.534	57%	0.568	S	S	.	*	H	α-helix	trans	-60.5	-46.3	171.6	-68.4	0	0	0	0	112.3	S570 M571 S572 I578	S570-C574 PolarHBondContact O-N 3.32Å; S570-C574 PolarHBondContact O-SG 3.13Å; M571-C574 PolarHBondContact O-N 3.43Å; S572-C574 VanDerWaalsContact C-N 3.34Å; S572-C574 PolarHBondContact O-N 3.37Å; C574-I578 WeakPolarHBondContact O-CD1 3.34Å; C574-I578 WeakPolarHBondContact O-CG1 3.34Å
575	N	39.4	Very low	39.3	Very low	84 Å²	84	104 Å²	104	45%	0.449	58%	0.58	S	S	.	*	H	α-helix	trans	-71.6	-35.4	-178.5	-71.1	-28.4	0	0	0	113.7	M571 S572 I578 G579	M571-N575 WeakPolarHBondContact O-CB 3.24Å; M571-N575 VanDerWaalsContact O-CG 3.26Å; M571-N575 PolarHBondContact O-N 2.89Å; M571-N575 PolarHBondContact O-ND2 3.41Å; S572-N575 PolarHBondContact O-N 2.82Å; N575-I578 PolarHBondContact O-N 3.36Å; N575-G579 PolarHBondContact O-N 3.06Å
576	T	40	Very low	38.9	Very low	78 Å²	78	102.4 Å²	102.4	48%	0.479	59%	0.586	S	S	.	*	H	α-helix	trans	-71.5	-32.2	-179.8	-61.7	0	0	0	0	112.3	S572 I578 G579 N580	S572-T576 VanDerWaalsContact O-CB 3.31Å; S572-T576 WeakPolarHBondContact O-CB 3.29Å; S572-T576 PolarHBondContact O-N 2.84Å; S572-T576 PolarHBondContact O-OG1 2.9Å; T576-I578 PolarHBondContact O-N 3.26Å; T576-G579 PolarHBondContact O-N 3.5Å; T576-N580 PolarHBondContact O-N 2.89Å
577	I	40.3	Very low	38.4	Very low	125 Å²	125	106.3 Å²	106.3	64%	0.641	61%	0.607	S	S	*	*	H	α-helix	trans	-64.5	-29.8	171.6	-69.6	167.9	0	0	0	111.2	K573	K573-I577 WeakPolarHBondContact O-CD1 3.11Å; K573-I577 VanDerWaalsContact O-CG1 3.28Å; K573-I577 WeakPolarHBondContact O-CG1 3.47Å; K573-I577 PolarHBondContact O-N 3.45Å
578	I	39.7	Very low	37.8	Very low	127 Å²	127	107.1 Å²	107.1	65%	0.651	62%	0.617	S	S	*	*	H	α-helix	trans	-87.1	-32.6	-179.9	-63.7	169.4	0	0	0	111.9	C574 N575 T576	C574-I578 WeakPolarHBondContact O-CD1 3.34Å; C574-I578 WeakPolarHBondContact O-CG1 3.34Å; N575-I578 PolarHBondContact O-N 3.36Å; T576-I578 PolarHBondContact O-N 3.26Å
579	G	37.3	Very low	37.2	Very low	51 Å²	51	106.8 Å²	106.8	53%	0.526	62%	0.624	S	S	.	*	H	α-helix	trans	-79.7	-26.1	-174.2	0	0	0	0	0	116.6	N575 T576	N575-G579 PolarHBondContact O-N 3.06Å; T576-G579 PolarHBondContact O-N 3.5Å
580	N	38.2	Very low	36.8	Very low	121 Å²	121	110.6 Å²	110.6	65%	0.647	65%	0.647	S	S	*	*	S	Bend	trans	-107.8	-1	-163.1	-73.1	0.1	0	0	0	116.1	T576	T576-N580 PolarHBondContact O-N 2.89Å
581	N	35.9	Very low	36.4	Very low	141 Å²	141	109.5 Å²	109.5	75%	0.754	65%	0.647	S	S	*	*	S	Bend	trans	-101.9	14.9	-177.8	-75.3	-21.2	0	0	0	114.1
582	V	36.3	Very low	36.2	Very low	120 Å²	120	108.9 Å²	108.9	73%	0.727	65%	0.649	S	S	*	*	S	Bend	trans	-118	135.1	169.7	-177.2	0	0	0	0	107.7
583	V	33.4	Very low	35.7	Very low	125 Å²	125	111 Å²	111	76%	0.758	66%	0.655	S	S	*	*	S	Bend	trans	78.6	72.8	-167	-165.5	0	0	0	0	114.4
584	N	33	Very low	35.3	Very low	155 Å²	155	110.6 Å²	110.6	83%	0.829	66%	0.659	S	S	*	*				-171.1	158.9	116	-95	-48.3	0	0	0	111.4
585	S	31.9	Very low	35.4	Very low	122 Å²	122	111.9 Å²	111.9	85%	0.853	66%	0.661	S	S	*	*			trans	-48.6	150.2	173.3	-39.9	0	0	0	0	112.7
586	G	29	Very low	35.4	Very low	61 Å²	61	112.8 Å²	112.8	63%	0.629	66%	0.664	S	S	*	*			cis	153.9	150	8	0	0	0	0	0	108.7
587	D	32.8	Very low	35.5	Very low	157 Å²	157	113.5 Å²	113.5	84%	0.84	67%	0.665	S	S	*	*			trans	67.3	138.3	178	-52.9	-33	0	0	0	119
588	N	30.2	Very low	35.7	Very low	153 Å²	153	116.5 Å²	116.5	82%	0.818	67%	0.668	S	S	*	*			trans	65.4	65.9	160.2	-67.3	-42.1	0	0	0	121.4
589	V	34.8	Very low	36	Very low	99 Å²	99	117 Å²	117	60%	0.6	67%	0.672	S	S	*	*			trans	-141.8	58.2	154	-160.6	0	0	0	0	113.5	G591 V592	V589-G591 VanDerWaalsContact C-N 3.34Å; V589-G591 PolarHBondContact O-N 3.31Å; V589-V592 HydrophobicContact CG1-CG2 3.95Å
590	N	31.5	Very low	36.7	Very low	173 Å²	173	117.3 Å²	117.3	93%	0.925	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	73.7	178.2	-69.2	6.1	0	0	0	112.2
591	G	33.5	Very low	37.5	Very low	49 Å²	49	111.6 Å²	111.6	51%	0.505	63%	0.632	S	S	.	*	T	Hydrogen-bonded Turn	trans	-178.7	-4.8	175.1	0	0	0	0	0	118.5	V589	V589-G591 VanDerWaalsContact C-N 3.34Å; V589-G591 PolarHBondContact O-N 3.31Å
592	V	35.9	Very low	38.7	Very low	85 Å²	85	104.9 Å²	104.9	52%	0.515	60%	0.597	S	S	.	*	S	Bend	trans	-102	-30.5	-179.3	-177.3	0	0	0	0	112.6	V589	V589-V592 HydrophobicContact CG1-CG2 3.95Å
593	N	34.6	Very low	39.6	Very low	104 Å²	104	102.1 Å²	102.1	56%	0.556	58%	0.578	S	S	*	*	H	α-helix	trans	-72.1	-34.1	-169.5	-65.2	-10.4	0	0	0	114	N595 I596 L597	N593-N595 VanDerWaalsContact C-N 3.25Å; N593-N595 PolarHBondContact O-N 3.19Å; N593-I596 WeakPolarHBondContact O-CB 3.49Å; N593-I596 PolarHBondContact O-N 2.74Å; N593-L597 PolarHBondContact O-N 2.97Å
594	D	37.8	Very low	40.4	Very low	113 Å²	113	103.5 Å²	103.5	60%	0.604	57%	0.571	S	S	*	*	H	α-helix	trans	-62.6	-31.6	-175.4	-57.6	-20.4	0	0	0	113	R598	D594-R598 PolarHBondContact O-N 2.85Å
595	N	38.6	Very low	41.1	Very low	106 Å²	106	100.4 Å²	100.4	57%	0.567	55%	0.551	S	S	*	*	H	α-helix	trans	-72.7	-29.9	175.5	-73.1	-46.1	0	0	0	112.3	N593	N593-N595 VanDerWaalsContact C-N 3.25Å; N593-N595 PolarHBondContact O-N 3.19Å
596	I	39.6	Very low	41.5	Very low	103 Å²	103	97 Å²	97	53%	0.528	52%	0.521	S	S	.	.	H	α-helix	trans	-74.8	-43.9	175.4	-59.5	176.3	0	0	0	109.4	N593 R598 L599	N593-I596 WeakPolarHBondContact O-CB 3.49Å; N593-I596 PolarHBondContact O-N 2.74Å; I596-R598 PolarHBondContact O-N 2.94Å; I596-R598 VanDerWaalsContact O-N 3.16Å; I596-L599 PolarHBondContact O-N 3.19Å
597	L	41.3	Very low	42	Very low	94 Å²	94	104.5 Å²	104.5	49%	0.492	53%	0.531	S	S	.	.	H	α-helix	trans	-64.4	-13.1	173.8	-97.2	162.2	0	0	0	114.6	N593	N593-L597 PolarHBondContact O-N 2.97Å
598	R	43.9	Very low	42.4	Very low	187 Å²	187	104.2 Å²	104.2	71%	0.706	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-17.9	169.5	-85.6	-176.7	162	-154.7	-6.1	114.4	D594 I596	D594-R598 PolarHBondContact O-N 2.85Å; I596-R598 PolarHBondContact O-N 2.94Å; I596-R598 VanDerWaalsContact O-N 3.16Å
599	L	46.5	Very low	42.9	Very low	139 Å²	139	102.5 Å²	102.5	73%	0.728	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-16.9	-177.9	-80.6	160.6	0	0	0	113.8	I596	I596-L599 PolarHBondContact O-N 3.19Å
600	V	51.6	Low	43.3	Very low	57 Å²	57	100.8 Å²	100.8	35%	0.345	51%	0.512	S	S	.	.			trans	-79.1	126.6	177.9	-172.5	0	0	0	0	110.4	W81	W81-V600 PolarHBondContact NE1-O 2.84Å
601	G	56.2	Low	44.3	Very low	0 Å²	0	98.3 Å²	98.3	0%	0	51%	0.505	C	S	.	.			trans	-108.2	167.5	169.9	0	0	0	0	0	112.5	W74 D603 Y604	W74-G601 VanDerWaalsContact CH2-CA 3.47Å; W74-G601 VanDerWaalsContact CZ3-CA 3.46Å; G601-D603 PolarHBondContact O-N 2.71Å; G601-D603 VanDerWaalsContact O-N 3.16Å; G601-Y604 PolarHBondContact O-N 3.45Å
602	P	60.1	Low	45.1	Very low	1 Å²	1	99.7 Å²	99.7	1%	0.006	50%	0.5	C	S	.	.	H	α-helix	trans	-51.3	-35.8	173.1	-24.5	34.2	0	0	0	113	W74 W81 Y137 Y604 E605 E606	W74-P602 HydrophobicContact CB-CG 4.31Å; W74-P602 HydrophobicContact CD2-CG 4.36Å; W74-P602 HydrophobicContact CG-CG 4.03Å; W81-P602 HydrophobicContact CZ2-CG 4.35Å; Y137-P602 HydrophobicContact CD1-CB 4.23Å; Y137-P602 HydrophobicContact CD1-CG 3.99Å; Y137-P602 HydrophobicContact CD2-CB 3.71Å; Y137-P602 HydrophobicContact CD2-CG 3.5Å; Y137-P602 VanDerWaalsContact CD2-CG 3.5Å; Y137-P602 HydrophobicContact CE1-CB 4.16Å; Y137-P602 HydrophobicContact CE1-CG 4.42Å; Y137-P602 HydrophobicContact CE2-CB 3.58Å; Y137-P602 HydrophobicContact CE2-CG 3.95Å; Y137-P602 HydrophobicContact CG-CB 4.03Å; Y137-P602 HydrophobicContact CG-CG 3.51Å; P602-Y604 PolarHBondContact O-N 2.96Å; P602-E605 WeakPolarHBondContact O-CA 3.35Å; P602-E605 PolarHBondContact O-N 3.16Å; P602-E606 PolarHBondContact O-N 2.79Å
603	D	55.7	Low	46.1	Very low	62 Å²	62	100.8 Å²	100.8	33%	0.332	50%	0.499	S	S	.	.	H	α-helix	trans	-55.7	-18.6	176.7	-56.4	12.1	0	0	0	114	W74 L77 G601	W74-D603 HydrophobicContact CZ2-CB 4.23Å; W74-D603 WeakPolarHBondContact CZ2-OD2 3.41Å; W74-D603 VanDerWaalsContact NE1-CG 3.29Å; W74-D603 PolarHBondContact NE1-OD1 3.01Å; W74-D603 PolarHBondContact NE1-OD2 3.49Å; L77-D603 WeakPolarHBondContact CA-OD2 3.48Å; L77-D603 WeakPolarHBondContact CB-OD2 3.46Å; L77-D603 PolarHBondContact N-OD2 3.45Å; G601-D603 PolarHBondContact O-N 2.71Å; G601-D603 VanDerWaalsContact O-N 3.16Å
604	Y	49.7	Very low	47.4	Very low	154 Å²	154	100 Å²	100	60%	0.604	49%	0.492	S	S	*	.	H	α-helix	trans	-93.5	-18.2	173.7	-75.4	-85.9	0	0	0	114	L77 G601 P602	L77-Y604 HydrophobicContact CD1-CD2 4.32Å; L77-Y604 HydrophobicContact CD1-CE2 3.47Å; L77-Y604 VanDerWaalsContact CD1-CE2 3.47Å; G601-Y604 PolarHBondContact O-N 3.45Å; P602-Y604 PolarHBondContact O-N 2.96Å
605	E	48.3	Very low	48.8	Very low	90 Å²	90	100 Å²	100	42%	0.421	49%	0.488	S	S	.	.	H	α-helix	trans	-90.5	-23.6	174.2	-66	169.7	153.8	0	0	111.7	H120 R126 P602 R607	H120-E605 IonicContact CE1-OE1 2.73Å; H120-E605 PolarHBondContact CE1-OE1 2.99Å; H120-E605 IonicContact NE2-OE1 3.84Å; H120-E605 PolarHBondContact NE2-OE1 2.86Å; H120-E605 IonicContact NE2-OE2 2.69Å; R126-E605 IonicContact CZ-OE2 3.7Å; R126-E605 IonicContact NH1-OE1 3.65Å; R126-E605 IonicContact NH1-OE2 2.74Å; R126-E605 PolarHBondContact NH1-OE2 2.9Å; R126-E605 IonicContact NH2-OE2 2.72Å; R126-E605 PolarHBondContact NH2-OE2 3.1Å; P602-E605 WeakPolarHBondContact O-CA 3.35Å; P602-E605 PolarHBondContact O-N 3.16Å; E605-R607 PolarHBondContact O-N 2.81Å
606	E	41	Very low	50.4	Low	49 Å²	49	100 Å²	100	23%	0.229	49%	0.485	C	S	.	.			trans	-70.6	39.3	-179.4	-76.8	-170.6	-164.7	0	0	115.5	Y137 P602 L608	Y137-E606 PolarHBondContact OH-OE1 3.33Å; P602-E606 PolarHBondContact O-N 2.79Å; E606-L608 PolarHBondContact O-N 3.13Å; E606-L608 VanDerWaalsContact O-N 3.12Å
607	R	39.7	Very low	51.8	Low	219 Å²	219	99.8 Å²	99.8	83%	0.826	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-1.8	168.9	-90	-171.2	172.2	-176.4	-0.5	114.8	E605	E605-R607 PolarHBondContact O-N 2.81Å
608	L	40.3	Very low	53.3	Low	151 Å²	151	98.7 Å²	98.7	79%	0.791	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.9	-6.2	-170.6	-93.6	163.2	0	0	0	116.2	E606	E606-L608 PolarHBondContact O-N 3.13Å; E606-L608 VanDerWaalsContact O-N 3.12Å
609	N	41.4	Very low	54.9	Low	117 Å²	117	94.6 Å²	94.6	63%	0.626	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.5	18.7	-174.2	-70.2	-37.9	0	0	0	113.8
610	S	43.3	Very low	56.2	Low	63 Å²	63	90.2 Å²	90.2	44%	0.441	45%	0.447	S	S	.	.			trans	-57.3	135.5	174.8	-163.4	0	0	0	0	109.7	M612	S610-M612 PolarHBondContact O-N 3.32Å
611	P	51.2	Low	57.3	Low	122 Å²	122	91.1 Å²	91.1	79%	0.792	45%	0.449	S	S	*	.	S	Bend	trans	-72.7	-11.8	-175.2	29.1	-36.1	0	0	0	113.5
612	M	51.2	Low	58.3	Low	78 Å²	78	94.2 Å²	94.2	38%	0.384	47%	0.466	S	S	.	.	S	Bend	trans	-79.3	125.8	171.9	-173.5	167.2	55.4	0	0	109	S610 E616 F617 A620	S610-M612 PolarHBondContact O-N 3.32Å; M612-E616 WeakPolarHBondContact CA-OE2 3.17Å; M612-E616 HydrophobicContact CG-CB 3.42Å; M612-E616 VanDerWaalsContact CG-CB 3.42Å; M612-E616 HydrophobicContact SD-CB 4.35Å; M612-F617 HydrophobicContact CE-CB 3.93Å; M612-F617 HydrophobicContact CE-CD2 3.82Å; M612-F617 HydrophobicContact CE-CG 4.38Å; M612-A620 HydrophobicContact SD-CB 4.43Å
613	H	56.1	Low	59	Low	108 Å²	108	97.7 Å²	97.7	50%	0.5	49%	0.487	S	S	.	.			trans	-59.8	156	179.7	-167.5	-128.9	0	0	0	111	E615 E616 F617	H613-E615 IonicContact CE1-OE2 3.53Å; H613-E615 PolarHBondContact CE1-OE2 2.87Å; H613-E615 IonicContact ND1-OE2 3.36Å; H613-E615 PolarHBondContact ND1-OE2 3.36Å; H613-E615 VanDerWaalsContact ND1-OE2 3.13Å; H613-E615 PolarHBondContact O-N 2.89Å; H613-E616 HydrophobicContact CB-CB 4.29Å; H613-E616 HydrophobicContact CB-CG 4Å; H613-E616 PolarHBondContact N-OE2 3.23Å; H613-E616 PolarHBondContact O-N 3.13Å; H613-F617 PolarHBondContact O-N 2.82Å
614	E	61.6	Low	60	Low	88 Å²	88	98.8 Å²	98.8	41%	0.411	49%	0.49	S	S	.	.	H	α-helix	trans	-55.6	-40.9	177.3	-171.7	-170.4	132.9	0	0	110.5	R487 F617 F618	R487-E614 IonicContact CZ-OE1 2.64Å; R487-E614 IonicContact NH1-OE1 2.65Å; R487-E614 PolarHBondContact NH1-OE1 3.3Å; E614-F617 PolarHBondContact O-N 3.36Å; E614-F618 HydrophobicContact CG-CD2 3.87Å; E614-F618 HydrophobicContact CG-CE2 3.68Å; E614-F618 WeakPolarHBondContact O-CD2 3.27Å; E614-F618 PolarHBondContact O-N 3.47Å; E614-F618 VanDerWaalsContact O-N 3.09Å
615	E	68	Low	61.3	Low	113 Å²	113	95.7 Å²	95.7	53%	0.528	48%	0.484	S	S	.	.	H	α-helix	trans	-63.3	-46.3	176	-62.3	175.2	138.6	0	0	111.8	H613 F617 F618 D619	H613-E615 IonicContact CE1-OE2 3.53Å; H613-E615 PolarHBondContact CE1-OE2 2.87Å; H613-E615 IonicContact ND1-OE2 3.36Å; H613-E615 PolarHBondContact ND1-OE2 3.36Å; H613-E615 VanDerWaalsContact ND1-OE2 3.13Å; H613-E615 PolarHBondContact O-N 2.89Å; E615-F617 VanDerWaalsContact C-N 3.3Å; E615-F617 PolarHBondContact O-N 3.17Å; E615-F618 PolarHBondContact O-N 3.44Å; E615-F618 VanDerWaalsContact O-N 3.13Å; E615-D619 WeakPolarHBondContact O-CB 3.38Å; E615-D619 VanDerWaalsContact O-CG 3.3Å; E615-D619 PolarHBondContact O-N 3.07Å
616	E	71.3	Confident	62.7	Low	106 Å²	106	95.9 Å²	95.9	50%	0.495	49%	0.488	S	S	.	.	H	α-helix	trans	-62.6	-34.7	176.4	-66.5	176.2	146.3	0	0	112.7	M612 H613 A620	M612-E616 WeakPolarHBondContact CA-OE2 3.17Å; M612-E616 HydrophobicContact CG-CB 3.42Å; M612-E616 VanDerWaalsContact CG-CB 3.42Å; M612-E616 HydrophobicContact SD-CB 4.35Å; H613-E616 HydrophobicContact CB-CB 4.29Å; H613-E616 HydrophobicContact CB-CG 4Å; H613-E616 PolarHBondContact N-OE2 3.23Å; H613-E616 PolarHBondContact O-N 3.13Å; E616-A620 VanDerWaalsContact O-CB 3.22Å; E616-A620 WeakPolarHBondContact O-CB 3.43Å; E616-A620 PolarHBondContact O-N 3.34Å
617	F	70	Confident	64.4	Low	97 Å²	97	97 Å²	97	43%	0.425	49%	0.492	S	S	.	.	H	α-helix	trans	-63.1	-45.9	172.9	171.3	-94.2	0	0	0	111.1	M612 H613 E614 E615 A620 I621	M612-F617 HydrophobicContact CE-CB 3.93Å; M612-F617 HydrophobicContact CE-CD2 3.82Å; M612-F617 HydrophobicContact CE-CG 4.38Å; H613-F617 PolarHBondContact O-N 2.82Å; E614-F617 PolarHBondContact O-N 3.36Å; E615-F617 VanDerWaalsContact C-N 3.3Å; E615-F617 PolarHBondContact O-N 3.17Å; F617-A620 PolarHBondContact O-N 3.02Å; F617-I621 HydrophobicContact CD1-CG1 4.42Å; F617-I621 HydrophobicContact CE1-CG1 3.96Å; F617-I621 HydrophobicContact CE2-CD1 4.46Å; F617-I621 HydrophobicContact CE2-CG1 4.24Å; F617-I621 HydrophobicContact CZ-CD1 4.19Å; F617-I621 HydrophobicContact CZ-CG1 3.86Å; F617-I621 VanDerWaalsContact O-CG1 3.32Å; F617-I621 WeakPolarHBondContact O-CG1 3.32Å; F617-I621 PolarHBondContact O-N 3.06Å
618	F	72.2	Confident	66.1	Low	72 Å²	72	91.4 Å²	91.4	32%	0.316	48%	0.476	S	S	.	.	H	α-helix	trans	-72.3	-36.9	178.6	-77	-71.7	0	0	0	112.6	R487 E614 E615 A620 I621 D622	R487-F618 VanDerWaalsContact NH1-CD2 3.3Å; R487-F618 VanDerWaalsContact NH2-CE2 3.28Å; E614-F618 HydrophobicContact CG-CD2 3.87Å; E614-F618 HydrophobicContact CG-CE2 3.68Å; E614-F618 WeakPolarHBondContact O-CD2 3.27Å; E614-F618 PolarHBondContact O-N 3.47Å; E614-F618 VanDerWaalsContact O-N 3.09Å; E615-F618 PolarHBondContact O-N 3.44Å; E615-F618 VanDerWaalsContact O-N 3.13Å; F618-A620 VanDerWaalsContact C-N 3.28Å; F618-A620 PolarHBondContact O-N 3.33Å; F618-I621 PolarHBondContact O-N 2.92Å; F618-D622 WeakPolarHBondContact O-CB 3.43Å; F618-D622 PolarHBondContact O-N 2.91Å
619	D	76.7	Confident	68	Low	101 Å²	101	90.4 Å²	90.4	54%	0.54	47%	0.468	S	S	.	.	H	α-helix	trans	-61.6	-37.6	171.9	-71.4	-12.9	0	0	0	110.8	E615 T623	E615-D619 WeakPolarHBondContact O-CB 3.38Å; E615-D619 VanDerWaalsContact O-CG 3.3Å; E615-D619 PolarHBondContact O-N 3.07Å; D619-T623 WeakPolarHBondContact O-CB 3.43Å; D619-T623 PolarHBondContact O-N 3Å; D619-T623 PolarHBondContact O-OG1 3.37Å
620	A	74.3	Confident	69.8	Low	46 Å²	46	89.1 Å²	89.1	38%	0.38	46%	0.458	S	S	.	.	H	α-helix	trans	-68.5	-37.4	174.1	0	0	0	0	0	112.9	M612 E616 F617 F618 E624	M612-A620 HydrophobicContact SD-CB 4.43Å; E616-A620 VanDerWaalsContact O-CB 3.22Å; E616-A620 WeakPolarHBondContact O-CB 3.43Å; E616-A620 PolarHBondContact O-N 3.34Å; F617-A620 PolarHBondContact O-N 3.02Å; F618-A620 VanDerWaalsContact C-N 3.28Å; F618-A620 PolarHBondContact O-N 3.33Å; A620-E624 WeakPolarHBondContact O-CB 3.49Å; A620-E624 PolarHBondContact O-N 3Å
621	I	74.1	Confident	71.4	Confident	76 Å²	76	87.5 Å²	87.5	39%	0.39	44%	0.444	S	S	.	.	H	α-helix	trans	-68.9	-48.5	174.8	-69.8	-69.2	0	0	0	111.3	F617 F618 T623 E624 L625	F617-I621 HydrophobicContact CD1-CG1 4.42Å; F617-I621 HydrophobicContact CE1-CG1 3.96Å; F617-I621 HydrophobicContact CE2-CD1 4.46Å; F617-I621 HydrophobicContact CE2-CG1 4.24Å; F617-I621 HydrophobicContact CZ-CD1 4.19Å; F617-I621 HydrophobicContact CZ-CG1 3.86Å; F617-I621 VanDerWaalsContact O-CG1 3.32Å; F617-I621 WeakPolarHBondContact O-CG1 3.32Å; F617-I621 PolarHBondContact O-N 3.06Å; F618-I621 PolarHBondContact O-N 2.92Å; I621-T623 VanDerWaalsContact C-N 3.31Å; I621-T623 PolarHBondContact O-N 2.85Å; I621-E624 PolarHBondContact O-N 3.12Å; I621-E624 VanDerWaalsContact O-N 3.1Å; I621-L625 HydrophobicContact CG2-CD1 4.02Å; I621-L625 WeakPolarHBondContact O-CG 3.42Å; I621-L625 PolarHBondContact O-N 3.4Å
622	D	78.2	Confident	72.9	Confident	66 Å²	66	87 Å²	87	35%	0.353	43%	0.431	S	S	.	.	H	α-helix	trans	-62.4	-39.9	176.5	-77.7	7.1	0	0	0	110	R494 F618 E624 L625 D626	R494-D622 IonicContact NH2-OD2 2.73Å; F618-D622 WeakPolarHBondContact O-CB 3.43Å; F618-D622 PolarHBondContact O-N 2.91Å; D622-E624 VanDerWaalsContact C-N 3.32Å; D622-E624 PolarHBondContact O-N 3.41Å; D622-L625 WeakPolarHBondContact O-CB 3.47Å; D622-L625 PolarHBondContact O-N 2.94Å; D622-D626 PolarHBondContact O-N 3.12Å
623	T	74.2	Confident	74.5	Confident	73 Å²	73	87.6 Å²	87.6	45%	0.448	44%	0.439	S	S	.	.	H	α-helix	trans	-62.3	-33.1	172.6	-66.2	0	0	0	0	113.2	D619 I621 K627	D619-T623 WeakPolarHBondContact O-CB 3.43Å; D619-T623 PolarHBondContact O-N 3Å; D619-T623 PolarHBondContact O-OG1 3.37Å; I621-T623 VanDerWaalsContact C-N 3.31Å; I621-T623 PolarHBondContact O-N 2.85Å; T623-K627 WeakPolarHBondContact O-CE 3.39Å; T623-K627 PolarHBondContact O-N 3.29Å; T623-K627 VanDerWaalsContact O-N 3.16Å
624	E	77.9	Confident	75.6	Confident	85 Å²	85	86.4 Å²	86.4	40%	0.397	43%	0.43	S	S	.	.	H	α-helix	trans	-79.5	-33.6	175.6	-161	62.7	-135.2	0	0	112.2	A620 I621 D622 K627 M628	A620-E624 WeakPolarHBondContact O-CB 3.49Å; A620-E624 PolarHBondContact O-N 3Å; I621-E624 PolarHBondContact O-N 3.12Å; I621-E624 VanDerWaalsContact O-N 3.1Å; D622-E624 VanDerWaalsContact C-N 3.32Å; D622-E624 PolarHBondContact O-N 3.41Å; E624-K627 WeakPolarHBondContact O-CB 3.34Å; E624-K627 PolarHBondContact O-N 2.92Å; E624-K627 WeakPolarHBondContact OE2-CE 3.25Å; E624-K627 IonicContact OE2-NZ 3.93Å; E624-K627 PolarHBondContact OE2-NZ 2.97Å; E624-M628 WeakPolarHBondContact O-CG 3.47Å; E624-M628 PolarHBondContact O-N 3.16Å
625	L	77.1	Confident	76.6	Confident	90 Å²	90	85.6 Å²	85.6	47%	0.471	43%	0.428	S	S	.	.	H	α-helix	trans	-60.8	-48.9	169.8	-71.9	165.1	0	0	0	110.8	I621 D622 K627 M628 E629	I621-L625 HydrophobicContact CG2-CD1 4.02Å; I621-L625 WeakPolarHBondContact O-CG 3.42Å; I621-L625 PolarHBondContact O-N 3.4Å; D622-L625 WeakPolarHBondContact O-CB 3.47Å; D622-L625 PolarHBondContact O-N 2.94Å; L625-K627 VanDerWaalsContact C-N 3.31Å; L625-K627 PolarHBondContact O-N 3.06Å; L625-M628 HydrophobicContact CD2-CE 3.88Å; L625-M628 HydrophobicContact CG-CE 4.43Å; L625-M628 PolarHBondContact O-N 3.37Å; L625-E629 PolarHBondContact O-N 2.92Å
626	D	77.2	Confident	77.4	Confident	94 Å²	94	82.8 Å²	82.8	50%	0.503	43%	0.425	S	S	.	.	H	α-helix	trans	-57	-41.9	173.9	-81.8	9.3	0	0	0	111.9	D622 Q630	D622-D626 PolarHBondContact O-N 3.12Å; D626-Q630 WeakPolarHBondContact O-CB 3.32Å; D626-Q630 VanDerWaalsContact O-CG 3.25Å; D626-Q630 WeakPolarHBondContact O-CG 3.37Å; D626-Q630 PolarHBondContact O-N 2.87Å
627	K	76.3	Confident	78	Confident	73 Å²	73	80.4 Å²	80.4	32%	0.317	42%	0.423	S	S	.	.	H	α-helix	trans	-62.4	-41.4	174.3	-90.3	175.9	-97	165.5	0	112	T623 E624 L625 N631	T623-K627 WeakPolarHBondContact O-CE 3.39Å; T623-K627 PolarHBondContact O-N 3.29Å; T623-K627 VanDerWaalsContact O-N 3.16Å; E624-K627 WeakPolarHBondContact O-CB 3.34Å; E624-K627 PolarHBondContact O-N 2.92Å; E624-K627 WeakPolarHBondContact OE2-CE 3.25Å; E624-K627 IonicContact OE2-NZ 3.93Å; E624-K627 PolarHBondContact OE2-NZ 2.97Å; L625-K627 VanDerWaalsContact C-N 3.31Å; L625-K627 PolarHBondContact O-N 3.06Å; K627-N631 WeakPolarHBondContact O-CB 3.49Å; K627-N631 PolarHBondContact O-N 3Å; K627-N631 PolarHBondContact O-ND2 3.33Å
628	M	75.3	Confident	78.7	Confident	100 Å²	100	76 Å²	76	49%	0.493	40%	0.404	S	S	.	.	H	α-helix	trans	-67.5	-44.5	178.4	-74.4	-172.8	-67.9	0	0	112	E624 L625 N631 E632	E624-M628 WeakPolarHBondContact O-CG 3.47Å; E624-M628 PolarHBondContact O-N 3.16Å; L625-M628 HydrophobicContact CD2-CE 3.88Å; L625-M628 HydrophobicContact CG-CE 4.43Å; L625-M628 PolarHBondContact O-N 3.37Å; M628-N631 WeakPolarHBondContact O-CB 3.43Å; M628-N631 PolarHBondContact O-N 3.19Å; M628-N631 VanDerWaalsContact O-N 3.16Å; M628-E632 PolarHBondContact O-N 3Å
629	E	80.7	Confident	79.4	Confident	130 Å²	130	78.8 Å²	78.8	61%	0.607	42%	0.416	S	S	*	.	H	α-helix	trans	-60.5	-47.6	174.8	-175.8	176.3	-177.2	0	0	111.1	L625 N631 E632 V633	L625-E629 PolarHBondContact O-N 2.92Å; E629-N631 VanDerWaalsContact C-N 3.26Å; E629-N631 PolarHBondContact O-N 2.89Å; E629-E632 PolarHBondContact O-N 3.25Å; E629-E632 VanDerWaalsContact O-N 3.12Å; E629-V633 WeakPolarHBondContact O-CG2 3.48Å; E629-V633 PolarHBondContact O-N 2.84Å
630	Q	78.9	Confident	79.8	Confident	90 Å²	90	77.6 Å²	77.6	42%	0.421	42%	0.416	S	S	.	.	H	α-helix	trans	-61.3	-33.9	175.5	-69.7	177.7	39.8	0	0	113	D626 R634	D626-Q630 WeakPolarHBondContact O-CB 3.32Å; D626-Q630 VanDerWaalsContact O-CG 3.25Å; D626-Q630 WeakPolarHBondContact O-CG 3.37Å; D626-Q630 PolarHBondContact O-N 2.87Å; Q630-R634 WeakPolarHBondContact O-CB 3.46Å; Q630-R634 VanDerWaalsContact O-CG 3.25Å; Q630-R634 WeakPolarHBondContact O-CG 3.48Å; Q630-R634 PolarHBondContact O-N 2.99Å
631	N	78	Confident	80.3	Confident	30 Å²	30	76.2 Å²	76.2	16%	0.16	40%	0.404	C	S	.	.	H	α-helix	trans	-69.5	-38.7	174.9	-75.4	-24.6	0	0	0	111.5	K627 M628 E629 R634 L635 H792	K627-N631 WeakPolarHBondContact O-CB 3.49Å; K627-N631 PolarHBondContact O-N 3Å; K627-N631 PolarHBondContact O-ND2 3.33Å; M628-N631 WeakPolarHBondContact O-CB 3.43Å; M628-N631 PolarHBondContact O-N 3.19Å; M628-N631 VanDerWaalsContact O-N 3.16Å; E629-N631 VanDerWaalsContact C-N 3.26Å; E629-N631 PolarHBondContact O-N 2.89Å; N631-R634 PolarHBondContact O-N 2.63Å; N631-L635 WeakPolarHBondContact O-CG 3.3Å; N631-L635 PolarHBondContact O-N 3.15Å; N631-H792 PolarHBondContact OD1-ND1 3.02Å
632	E	81.7	Confident	80.7	Confident	111 Å²	111	72.6 Å²	72.6	52%	0.519	39%	0.386	S	S	.	.	H	α-helix	trans	-63.8	-44.3	173.4	-177	164.7	-166.9	0	0	111.4	M628 E629 R634 L635 A636	M628-E632 PolarHBondContact O-N 3Å; E629-E632 PolarHBondContact O-N 3.25Å; E629-E632 VanDerWaalsContact O-N 3.12Å; E632-R634 VanDerWaalsContact C-N 3.33Å; E632-R634 PolarHBondContact O-N 2.8Å; E632-L635 PolarHBondContact O-N 2.7Å; E632-L635 VanDerWaalsContact O-N 3.15Å; E632-A636 PolarHBondContact O-N 2.78Å
633	V	84.1	Confident	81	Confident	91 Å²	91	74.7 Å²	74.7	55%	0.552	39%	0.393	S	S	*	.	H	α-helix	trans	-59.3	-41.9	173.6	173.2	0	0	0	0	111.4	E629 A636 A637	E629-V633 WeakPolarHBondContact O-CG2 3.48Å; E629-V633 PolarHBondContact O-N 2.84Å; V633-A636 PolarHBondContact O-N 3.35Å; V633-A637 WeakPolarHBondContact O-CB 3.31Å; V633-A637 PolarHBondContact O-N 3.36Å
634	R	79.3	Confident	81.3	Confident	82 Å²	82	73.5 Å²	73.5	31%	0.309	39%	0.391	S	S	.	.	H	α-helix	trans	-65.8	-39	174.4	-72	172.8	-171.4	113.1	11.1	112.3	Q630 N631 E632 A637 L638 P793	Q630-R634 WeakPolarHBondContact O-CB 3.46Å; Q630-R634 VanDerWaalsContact O-CG 3.25Å; Q630-R634 WeakPolarHBondContact O-CG 3.48Å; Q630-R634 PolarHBondContact O-N 2.99Å; N631-R634 PolarHBondContact O-N 2.63Å; E632-R634 VanDerWaalsContact C-N 3.33Å; E632-R634 PolarHBondContact O-N 2.8Å; R634-A637 PolarHBondContact O-N 3.46Å; R634-L638 WeakPolarHBondContact O-CG 3.47Å; R634-L638 PolarHBondContact O-N 3.08Å; R634-P793 HydrophobicContact CB-CB 3.93Å; R634-P793 HydrophobicContact CB-CG 3.86Å
635	L	82.6	Confident	81.5	Confident	71 Å²	71	70 Å²	70	37%	0.372	38%	0.375	S	S	.	.	H	α-helix	trans	-65.2	-38.5	173.7	-73.6	171.5	0	0	0	112.4	N631 E632 L638 K639 M784 P793	N631-L635 WeakPolarHBondContact O-CG 3.3Å; N631-L635 PolarHBondContact O-N 3.15Å; E632-L635 PolarHBondContact O-N 2.7Å; E632-L635 VanDerWaalsContact O-N 3.15Å; L635-L638 PolarHBondContact O-N 3.27Å; L635-K639 WeakPolarHBondContact O-CG 3.38Å; L635-K639 PolarHBondContact O-N 3.4Å; L635-K639 VanDerWaalsContact O-N 3.1Å; L635-M784 HydrophobicContact CD2-CG 4.41Å; L635-P793 HydrophobicContact CD2-CB 3.96Å; L635-P793 HydrophobicContact CD2-CG 3.72Å; L635-P793 HydrophobicContact CG-CB 4.28Å; L635-P793 HydrophobicContact CG-CG 3.64Å
636	A	85.2	Confident	81.7	Confident	54 Å²	54	73.1 Å²	73.1	45%	0.446	38%	0.38	S	S	.	.	H	α-helix	trans	-65.6	-42.8	173.8	0	0	0	0	0	111.4	E632 V633 L638 K639 S640	E632-A636 PolarHBondContact O-N 2.78Å; V633-A636 PolarHBondContact O-N 3.35Å; A636-L638 PolarHBondContact O-N 3.49Å; A636-K639 PolarHBondContact O-N 2.7Å; A636-S640 WeakPolarHBondContact O-CB 3.41Å; A636-S640 PolarHBondContact O-N 2.86Å
637	A	85	Confident	81.7	Confident	57 Å²	57	78.6 Å²	78.6	47%	0.471	39%	0.394	S	S	.	.	H	α-helix	trans	-60.7	-40.7	174.2	0	0	0	0	0	112.3	V633 R634 S640 A641	V633-A637 WeakPolarHBondContact O-CB 3.31Å; V633-A637 PolarHBondContact O-N 3.36Å; R634-A637 PolarHBondContact O-N 3.46Å; A637-S640 PolarHBondContact O-N 3.43Å; A637-A641 VanDerWaalsContact O-CB 3.31Å; A637-A641 WeakPolarHBondContact O-CB 3.35Å; A637-A641 PolarHBondContact O-N 3.02Å
638	L	84.5	Confident	81.7	Confident	4 Å²	4	76.7 Å²	76.7	2%	0.021	39%	0.392	C	S	.	.	H	α-helix	trans	-64	-41.6	174.2	-76	-176.3	0	0	0	113.4	R634 L635 A636 A641 S642 V780 P793 P794 V796	R634-L638 WeakPolarHBondContact O-CG 3.47Å; R634-L638 PolarHBondContact O-N 3.08Å; L635-L638 PolarHBondContact O-N 3.27Å; A636-L638 PolarHBondContact O-N 3.49Å; L638-A641 PolarHBondContact O-N 2.81Å; L638-S642 PolarHBondContact O-N 2.75Å; L638-V780 HydrophobicContact CD1-CG1 4.33Å; L638-V780 HydrophobicContact CD2-CB 3.96Å; L638-V780 HydrophobicContact CD2-CG1 3.48Å; L638-V780 VanDerWaalsContact CD2-CG1 3.48Å; L638-P793 HydrophobicContact CD1-CB 3.57Å; L638-P793 HydrophobicContact CG-CB 4.42Å; L638-P794 VanDerWaalsContact CD2-O 3.22Å; L638-P794 WeakPolarHBondContact CD2-O 3.22Å; L638-V796 HydrophobicContact CD2-CG2 3.81Å
639	K	85.5	Confident	82.1	Confident	130 Å²	130	82.4 Å²	82.4	57%	0.565	41%	0.408	S	S	*	.	H	α-helix	trans	-60.6	-47.5	175.4	-71.4	168.4	-176.3	173.6	0	110.6	L635 A636 S642 E643	L635-K639 WeakPolarHBondContact O-CG 3.38Å; L635-K639 PolarHBondContact O-N 3.4Å; L635-K639 VanDerWaalsContact O-N 3.1Å; A636-K639 PolarHBondContact O-N 2.7Å; K639-S642 PolarHBondContact O-N 3.27Å; K639-E643 WeakPolarHBondContact O-CG 3.32Å; K639-E643 PolarHBondContact O-N 3.07Å; K639-E643 VanDerWaalsContact O-N 3.08Å
640	S	86.6	Confident	82.3	Confident	77 Å²	77	79.3 Å²	79.3	54%	0.538	41%	0.405	S	S	.	.	H	α-helix	trans	-61.5	-46.4	176.4	-177.9	0	0	0	0	112.5	A636 A637 S642 E643 A644	A636-S640 WeakPolarHBondContact O-CB 3.41Å; A636-S640 PolarHBondContact O-N 2.86Å; A637-S640 PolarHBondContact O-N 3.43Å; S640-S642 PolarHBondContact O-N 2.78Å; S640-E643 WeakPolarHBondContact O-CA 3.25Å; S640-E643 WeakPolarHBondContact O-CB 3.38Å; S640-E643 PolarHBondContact O-N 3.24Å; S640-A644 PolarHBondContact O-N 3.45Å
641	A	84.5	Confident	82.8	Confident	16 Å²	16	75.6 Å²	75.6	13%	0.132	39%	0.387	C	S	.	.	H	α-helix	trans	-58.9	-47.2	177.7	0	0	0	0	0	111.9	A637 L638 E643 A644 I645 V796	A637-A641 VanDerWaalsContact O-CB 3.31Å; A637-A641 WeakPolarHBondContact O-CB 3.35Å; A637-A641 PolarHBondContact O-N 3.02Å; L638-A641 PolarHBondContact O-N 2.81Å; A641-E643 PolarHBondContact O-N 3.18Å; A641-A644 WeakPolarHBondContact O-CB 3.33Å; A641-A644 PolarHBondContact O-N 2.91Å; A641-A644 VanDerWaalsContact O-N 3.17Å; A641-I645 WeakPolarHBondContact O-CG1 3.33Å; A641-I645 PolarHBondContact O-N 2.91Å; A641-V796 HydrophobicContact CB-CB 3.96Å; A641-V796 HydrophobicContact CB-CG1 4.07Å; A641-V796 HydrophobicContact CB-CG2 4.13Å
642	S	81.4	Confident	83.2	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-78.5	-0.2	176.9	-61	0	0	0	0	114.7	L638 K639 S640 D779 R781	L638-S642 PolarHBondContact O-N 2.75Å; K639-S642 PolarHBondContact O-N 3.27Å; S640-S642 PolarHBondContact O-N 2.78Å; S642-D779 WeakPolarHBondContact CB-OD1 3.45Å; S642-D779 PolarHBondContact OG-OD1 2.82Å; S642-R781 PolarHBondContact O-NH1 3.46Å; S642-R781 PolarHBondContact O-NH2 2.7Å
643	E	84.4	Confident	83.5	Confident	110 Å²	110	79.6 Å²	79.6	51%	0.514	41%	0.409	S	S	.	.	H	α-helix	trans	-88.6	-42.1	160.2	-76.9	178	-171.4	0	0	110.9	K639 S640 A641 I645 R646 W647	K639-E643 WeakPolarHBondContact O-CG 3.32Å; K639-E643 PolarHBondContact O-N 3.07Å; K639-E643 VanDerWaalsContact O-N 3.08Å; S640-E643 WeakPolarHBondContact O-CA 3.25Å; S640-E643 WeakPolarHBondContact O-CB 3.38Å; S640-E643 PolarHBondContact O-N 3.24Å; A641-E643 PolarHBondContact O-N 3.18Å; E643-I645 VanDerWaalsContact C-N 3.29Å; E643-I645 PolarHBondContact O-N 3.03Å; E643-R646 WeakPolarHBondContact O-CB 3.24Å; E643-R646 PolarHBondContact O-N 2.97Å; E643-W647 PolarHBondContact O-N 3.37Å
644	A	82	Confident	83.8	Confident	48 Å²	48	82 Å²	82	40%	0.397	42%	0.418	S	S	.	.	H	α-helix	trans	-57.1	-41.3	171.9	0	0	0	0	0	112	S640 A641 R646 W647 A648	S640-A644 PolarHBondContact O-N 3.45Å; A641-A644 WeakPolarHBondContact O-CB 3.33Å; A641-A644 PolarHBondContact O-N 2.91Å; A641-A644 VanDerWaalsContact O-N 3.17Å; A644-R646 VanDerWaalsContact C-N 3.27Å; A644-R646 PolarHBondContact O-N 3.05Å; A644-W647 CarbonylContact O-C 3.6Å; A644-W647 PolarHBondContact O-N 2.92Å; A644-A648 PolarHBondContact O-N 2.85Å
645	I	82.2	Confident	84.3	Confident	11 Å²	11	79 Å²	79	6%	0.056	41%	0.408	C	S	.	.	H	α-helix	trans	-50.2	-45	170.1	-72.3	171.5	0	0	0	111.9	A641 E643 W647 A648 W778 V799 V805	A641-I645 WeakPolarHBondContact O-CG1 3.33Å; A641-I645 PolarHBondContact O-N 2.91Å; E643-I645 VanDerWaalsContact C-N 3.29Å; E643-I645 PolarHBondContact O-N 3.03Å; I645-W647 PolarHBondContact O-N 3.47Å; I645-A648 PolarHBondContact O-N 3.14Å; I645-W778 HydrophobicContact CD1-CH2 3.94Å; I645-W778 HydrophobicContact CD1-CZ2 4.48Å; I645-W778 HydrophobicContact CD1-CZ3 4.31Å; I645-W778 HydrophobicContact CG1-CH2 4.34Å; I645-W778 HydrophobicContact CG2-CH2 3.5Å; I645-W778 VanDerWaalsContact CG2-CH2 3.5Å; I645-W778 HydrophobicContact CG2-CZ3 3.73Å; I645-V799 HydrophobicContact CB-CG1 4.48Å; I645-V799 HydrophobicContact CG1-CG1 3.74Å; I645-V799 HydrophobicContact CG1-CG2 4.07Å; I645-V805 HydrophobicContact CD1-CG1 3.51Å; I645-V805 HydrophobicContact CG1-CG1 3.8Å
646	R	80.6	Confident	84.8	Confident	157 Å²	157	80.1 Å²	80.1	59%	0.592	42%	0.419	S	S	*	.	H	α-helix	trans	-70.1	-14	-176.7	-67.8	177.7	177.3	-178.2	3.1	113.6	E643 A644	E643-R646 WeakPolarHBondContact O-CB 3.24Å; E643-R646 PolarHBondContact O-N 2.97Å; A644-R646 VanDerWaalsContact C-N 3.27Å; A644-R646 PolarHBondContact O-N 3.05Å
647	W	77.6	Confident	85.2	Confident	208 Å²	208	77.9 Å²	77.9	79%	0.788	40%	0.399	S	S	*	.	H	α-helix	trans	-113.1	-2.2	178.1	-59.2	117.5	0	0	0	113.3	E643 A644 I645	E643-W647 PolarHBondContact O-N 3.37Å; A644-W647 CarbonylContact O-C 3.6Å; A644-W647 PolarHBondContact O-N 2.92Å; I645-W647 PolarHBondContact O-N 3.47Å
648	A	74.8	Confident	85.5	Confident	33 Å²	33	77.4 Å²	77.4	27%	0.273	39%	0.386	S	S	.	.			trans	-70.6	179.4	176.2	0	0	0	0	0	111.3	A644 I645 V799 D802	A644-A648 PolarHBondContact O-N 2.85Å; I645-A648 PolarHBondContact O-N 3.14Å; A648-V799 HydrophobicContact CB-CG1 4.25Å; A648-D802 HydrophobicContact CB-CB 4.08Å
649	R	84.1	Confident	85.9	Confident	220 Å²	220	83 Å²	83	83%	0.83	42%	0.416	S	S	*	.			trans	-129	163.6	171.2	-67.7	178.5	175.8	149.8	-0.2	108.1	M651 G801 D802	R649-M651 PolarHBondContact O-N 3.49Å; R649-G801 WeakPolarHBondContact O-CA 3.48Å; R649-D802 PolarHBondContact O-N 3.03Å
650	A	86.1	Confident	86.2	Confident	66 Å²	66	80.4 Å²	80.4	55%	0.545	41%	0.406	S	S	.	.	S	Bend	trans	-48.3	137.4	176.9	0	0	0	0	0	111.6	D802	A650-D802 WeakPolarHBondContact CA-OD1 3.35Å; A650-D802 PolarHBondContact N-OD1 3.27Å
651	M	87.9	Confident	86.5	Confident	11 Å²	11	77.2 Å²	77.2	5%	0.054	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-52.8	126.7	-174.4	-175.6	-175.3	-170	0	0	111.7	R649 H655 L657 Y658 L661 C800 T804	R649-M651 PolarHBondContact O-N 3.49Å; M651-H655 HydrophobicContact CE-CB 4.01Å; M651-H655 WeakPolarHBondContact CE-ND1 3.27Å; M651-H655 HydrophobicContact CG-CB 4.29Å; M651-L657 HydrophobicContact CE-CB 3.73Å; M651-Y658 HydrophobicContact CG-CD2 4.46Å; M651-L661 HydrophobicContact CE-CD1 4.43Å; M651-L661 HydrophobicContact SD-CD1 3.84Å; M651-C800 WeakPolarHBondContact CA-O 3.47Å; M651-C800 HydrophobicContact CE-CB 4.03Å; M651-C800 HydrophobicContact CG-CB 4.16Å; M651-C800 HydrophobicContact SD-CB 4.34Å; M651-T804 HydrophobicContact CE-CG2 4.36Å; M651-T804 HydrophobicContact SD-CG2 3.85Å
652	P	87.8	Confident	86.9	Confident	62 Å²	62	78.5 Å²	78.5	40%	0.403	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-75.8	141.2	-171.3	31.1	-35.7	0	0	0	111.7	N654 H655	P652-N654 WeakPolarHBondContact CB-OD1 3.31Å; P652-N654 PolarHBondContact O-N 3.25Å; P652-H655 HydrophobicContact CG-CB 4.35Å; P652-H655 VanDerWaalsContact O-CB 3.29Å; P652-H655 WeakPolarHBondContact O-CB 3.47Å; P652-H655 PolarHBondContact O-N 3Å
653	F	87.8	Confident	87.4	Confident	164 Å²	164	85.9 Å²	85.9	72%	0.719	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-14.4	-177.2	-55.6	-80.1	0	0	0	115.7	Y658	F653-Y658 HydrophobicContact CD1-CD2 4.49Å; F653-Y658 AromaticContact CD1-CE1 3.85Å; F653-Y658 HydrophobicContact CD1-CE1 3.85Å; F653-Y658 AromaticContact CD1-CE2 3.78Å; F653-Y658 HydrophobicContact CD1-CE2 3.78Å; F653-Y658 AromaticContact CD1-CZ 3.47Å; F653-Y658 VanDerWaalsContact CD1-CZ 3.47Å; F653-Y658 HydrophobicContact CE1-CE1 4.49Å; F653-Y658 HydrophobicContact CE1-CE2 4.17Å; F653-Y658 AromaticContact CE1-CZ 3.79Å; F653-Y658 WeakPolarHBondContact CE1-OH 3.42Å
654	N	89.3	Confident	87.8	Confident	140 Å²	140	81.6 Å²	81.6	75%	0.749	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-1.2	177.4	67.9	-15	0	0	0	113.8	P652	P652-N654 WeakPolarHBondContact CB-OD1 3.31Å; P652-N654 PolarHBondContact O-N 3.25Å
655	H	91	Very high	88.3	Confident	20 Å²	20	79.8 Å²	79.8	9%	0.093	39%	0.385	C	S	.	.	S	Bend	trans	-69.6	136.6	177.8	-172.4	-80.2	0	0	0	110.8	M651 P652 L657 Y658 E798 C800 Y918	M651-H655 HydrophobicContact CE-CB 4.01Å; M651-H655 WeakPolarHBondContact CE-ND1 3.27Å; M651-H655 HydrophobicContact CG-CB 4.29Å; P652-H655 HydrophobicContact CG-CB 4.35Å; P652-H655 VanDerWaalsContact O-CB 3.29Å; P652-H655 WeakPolarHBondContact O-CB 3.47Å; P652-H655 PolarHBondContact O-N 3Å; H655-L657 VanDerWaalsContact C-N 3.3Å; H655-L657 PolarHBondContact ND1-N 2.96Å; H655-L657 PolarHBondContact O-N 3.3Å; H655-L657 VanDerWaalsContact O-N 3.14Å; H655-Y658 VanDerWaalsContact O-CB 3.29Å; H655-Y658 WeakPolarHBondContact O-CB 3.43Å; H655-Y658 PolarHBondContact O-N 2.86Å; H655-E798 IonicContact NE2-OE1 2.67Å; H655-C800 PolarHBondContact NE2-SG 2.94Å; H655-C800 VanDerWaalsContact NE2-SG 3.38Å; H655-Y918 AromaticContact CE1-CE1 3.65Å; H655-Y918 AromaticContact CE1-CZ 3.92Å; H655-Y918 AromaticContact NE2-CE1 3.88Å; H655-Y918 AromaticContact NE2-CZ 4Å
656	P	92.8	Very high	88.7	Confident	94 Å²	94	84.8 Å²	84.8	61%	0.61	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-42.7	-174.7	-30.8	36.1	0	0	0	115.1	Y658 Y918	P656-Y658 VanDerWaalsContact C-N 3.34Å; P656-Y658 PolarHBondContact O-N 2.82Å; P656-Y918 HydrophobicContact CB-CD2 4.49Å; P656-Y918 HydrophobicContact CB-CE2 4.25Å; P656-Y918 HydrophobicContact CG-CE2 4.12Å
657	L	92.8	Very high	89	Confident	7 Å²	7	81 Å²	81	4%	0.037	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.5	178.9	-68.2	178.6	0	0	0	115.3	M651 H655 N659 E660 L661 V806 W825 T916 Y918	M651-L657 HydrophobicContact CE-CB 3.73Å; H655-L657 VanDerWaalsContact C-N 3.3Å; H655-L657 PolarHBondContact ND1-N 2.96Å; H655-L657 PolarHBondContact O-N 3.3Å; H655-L657 VanDerWaalsContact O-N 3.14Å; L657-N659 PolarHBondContact O-N 3.2Å; L657-E660 PolarHBondContact O-N 3.02Å; L657-E660 VanDerWaalsContact O-N 3.13Å; L657-L661 WeakPolarHBondContact O-CB 3.32Å; L657-L661 PolarHBondContact O-N 3Å; L657-V806 HydrophobicContact CD1-CG2 3.96Å; L657-W825 HydrophobicContact CD1-CB 4.08Å; L657-W825 HydrophobicContact CD1-CG 4.22Å; L657-T916 WeakPolarHBondContact CD2-OG1 3.14Å; L657-Y918 HydrophobicContact CD1-CD1 3.56Å; L657-Y918 HydrophobicContact CD1-CE1 4.3Å; L657-Y918 HydrophobicContact CD1-CG 4.07Å; L657-Y918 HydrophobicContact CD2-CG 4.26Å; L657-Y918 HydrophobicContact CG-CD1 3.92Å; L657-Y918 HydrophobicContact CG-CG 4Å
658	Y	92.7	Very high	89.6	Confident	48 Å²	48	71.4 Å²	71.4	19%	0.188	36%	0.36	C	S	.	.	H	α-helix	trans	-57	-45.9	-167.9	-177.1	-80.8	0	0	0	112.6	M651 F653 H655 P656 E660 L661 D662	M651-Y658 HydrophobicContact CG-CD2 4.46Å; F653-Y658 HydrophobicContact CD1-CD2 4.49Å; F653-Y658 AromaticContact CD1-CE1 3.85Å; F653-Y658 HydrophobicContact CD1-CE1 3.85Å; F653-Y658 AromaticContact CD1-CE2 3.78Å; F653-Y658 HydrophobicContact CD1-CE2 3.78Å; F653-Y658 AromaticContact CD1-CZ 3.47Å; F653-Y658 VanDerWaalsContact CD1-CZ 3.47Å; F653-Y658 HydrophobicContact CE1-CE1 4.49Å; F653-Y658 HydrophobicContact CE1-CE2 4.17Å; F653-Y658 AromaticContact CE1-CZ 3.79Å; F653-Y658 WeakPolarHBondContact CE1-OH 3.42Å; H655-Y658 VanDerWaalsContact O-CB 3.29Å; H655-Y658 WeakPolarHBondContact O-CB 3.43Å; H655-Y658 PolarHBondContact O-N 2.86Å; P656-Y658 VanDerWaalsContact C-N 3.34Å; P656-Y658 PolarHBondContact O-N 2.82Å; Y658-E660 VanDerWaalsContact C-N 3.33Å; Y658-E660 PolarHBondContact O-N 2.84Å; Y658-L661 PolarHBondContact O-N 2.83Å; Y658-D662 HydrophobicContact CD1-CB 4.38Å; Y658-D662 HydrophobicContact CE1-CB 3.91Å; Y658-D662 VanDerWaalsContact O-CB 3.23Å; Y658-D662 WeakPolarHBondContact O-CB 3.45Å; Y658-D662 PolarHBondContact O-N 2.96Å
659	N	91.9	Very high	90.1	Very high	120 Å²	120	72.8 Å²	72.8	64%	0.642	36%	0.361	S	S	*	.	H	α-helix	trans	-69.5	-28.8	-177.4	-64.7	-40.5	0	0	0	113.5	L657 K663	L657-N659 PolarHBondContact O-N 3.2Å; N659-K663 WeakPolarHBondContact O-CB 3.12Å; N659-K663 PolarHBondContact O-N 3.1Å
660	E	91.7	Very high	90.1	Very high	77 Å²	77	69.4 Å²	69.4	36%	0.36	35%	0.352	S	S	.	.	H	α-helix	trans	-73.6	-50.2	175.6	-174.4	-169.7	116.1	0	0	109.8	L657 Y658 K663 V664 W825	L657-E660 PolarHBondContact O-N 3.02Å; L657-E660 VanDerWaalsContact O-N 3.13Å; Y658-E660 VanDerWaalsContact C-N 3.33Å; Y658-E660 PolarHBondContact O-N 2.84Å; E660-K663 PolarHBondContact O-N 3.45Å; E660-V664 WeakPolarHBondContact O-CB 3.38Å; E660-V664 VanDerWaalsContact O-CG2 3.31Å; E660-V664 WeakPolarHBondContact O-CG2 3.26Å; E660-V664 PolarHBondContact O-N 2.96Å; E660-W825 PolarHBondContact OE1-NE1 3.19Å
661	L	93.1	Very high	89.8	Confident	10 Å²	10	70 Å²	70	5%	0.052	35%	0.346	C	S	.	.	H	α-helix	trans	-59.1	-51.4	178.1	-177.7	157.1	0	0	0	111.5	M651 L657 Y658 K663 V664 V665 T804 W825 H827	M651-L661 HydrophobicContact CE-CD1 4.43Å; M651-L661 HydrophobicContact SD-CD1 3.84Å; L657-L661 WeakPolarHBondContact O-CB 3.32Å; L657-L661 PolarHBondContact O-N 3Å; Y658-L661 PolarHBondContact O-N 2.83Å; L661-K663 VanDerWaalsContact C-N 3.3Å; L661-K663 PolarHBondContact O-N 3.23Å; L661-V664 PolarHBondContact O-N 2.75Å; L661-V665 HydrophobicContact CD2-CG2 3.95Å; L661-V665 HydrophobicContact CG-CG2 4.22Å; L661-V665 VanDerWaalsContact O-CB 3.32Å; L661-V665 WeakPolarHBondContact O-CB 3.27Å; L661-V665 VanDerWaalsContact O-CG2 3.25Å; L661-V665 WeakPolarHBondContact O-CG2 3.27Å; L661-V665 PolarHBondContact O-N 2.9Å; L661-T804 HydrophobicContact CD1-CG2 3.58Å; L661-W825 HydrophobicContact CB-CH2 4.09Å; L661-W825 HydrophobicContact CB-CZ2 4.06Å; L661-W825 HydrophobicContact CB-CZ3 4.39Å; L661-W825 HydrophobicContact CD1-CD2 4.32Å; L661-W825 HydrophobicContact CD1-CE3 3.91Å; L661-W825 HydrophobicContact CD1-CZ3 4.07Å; L661-W825 HydrophobicContact CG-CE3 4.17Å; L661-W825 HydrophobicContact CG-CH2 3.95Å; L661-W825 HydrophobicContact CG-CZ2 4.39Å; L661-W825 HydrophobicContact CG-CZ3 3.83Å; L661-H827 HydrophobicContact CD1-CB 3.92Å; L661-H827 HydrophobicContact CG-CB 4.36Å
662	D	92.4	Very high	89.2	Confident	43 Å²	43	69.9 Å²	69.9	23%	0.23	35%	0.346	C	S	.	.	H	α-helix	trans	-56.8	-43	179.2	177.9	91.4	0	0	0	112	Y658 K666	Y658-D662 HydrophobicContact CD1-CB 4.38Å; Y658-D662 HydrophobicContact CE1-CB 3.91Å; Y658-D662 VanDerWaalsContact O-CB 3.23Å; Y658-D662 WeakPolarHBondContact O-CB 3.45Å; Y658-D662 PolarHBondContact O-N 2.96Å; D662-K666 VanDerWaalsContact O-CB 3.28Å; D662-K666 WeakPolarHBondContact O-CB 3.43Å; D662-K666 WeakPolarHBondContact O-CD 3.45Å; D662-K666 WeakPolarHBondContact O-CG 3.39Å; D662-K666 PolarHBondContact O-N 3.47Å; D662-K666 WeakPolarHBondContact OD1-CE 3.42Å; D662-K666 IonicContact OD1-NZ 3.27Å; D662-K666 PolarHBondContact OD1-NZ 3.32Å; D662-K666 WeakPolarHBondContact OD2-CE 3.46Å; D662-K666 IonicContact OD2-NZ 3.3Å; D662-K666 PolarHBondContact OD2-NZ 3.15Å
663	K	92.9	Very high	88	Confident	155 Å²	155	69.1 Å²	69.1	67%	0.674	34%	0.344	S	S	*	.	H	α-helix	trans	-64.6	-48.8	176.2	-179.3	-173.8	175.4	-170.9	0	112	N659 E660 L661 M667	N659-K663 WeakPolarHBondContact O-CB 3.12Å; N659-K663 PolarHBondContact O-N 3.1Å; E660-K663 PolarHBondContact O-N 3.45Å; L661-K663 VanDerWaalsContact C-N 3.3Å; L661-K663 PolarHBondContact O-N 3.23Å; K663-M667 WeakPolarHBondContact O-CB 3.43Å; K663-M667 PolarHBondContact O-N 2.91Å
664	V	92.5	Very high	86.4	Confident	19 Å²	19	65.4 Å²	65.4	12%	0.115	34%	0.339	C	S	.	.	H	α-helix	trans	-66.8	-45.7	-177.9	168.8	0	0	0	0	111	E660 L661 M667 H668 W825 V912 M914	E660-V664 WeakPolarHBondContact O-CB 3.38Å; E660-V664 VanDerWaalsContact O-CG2 3.31Å; E660-V664 WeakPolarHBondContact O-CG2 3.26Å; E660-V664 PolarHBondContact O-N 2.96Å; L661-V664 PolarHBondContact O-N 2.75Å; V664-M667 WeakPolarHBondContact O-CB 3.45Å; V664-M667 PolarHBondContact O-N 3Å; V664-H668 PolarHBondContact O-CD2 3.39Å; V664-H668 PolarHBondContact O-N 3.25Å; V664-W825 HydrophobicContact CB-CH2 4Å; V664-W825 HydrophobicContact CB-CZ2 4.13Å; V664-W825 HydrophobicContact CG1-CH2 3.79Å; V664-W825 HydrophobicContact CG1-CZ2 4.16Å; V664-W825 HydrophobicContact CG2-CZ2 4.4Å; V664-V912 HydrophobicContact CG1-CG1 3.94Å; V664-M914 HydrophobicContact CG1-CE 3.64Å; V664-M914 HydrophobicContact CG2-CE 4.3Å
665	V	92.1	Very high	84.9	Confident	11 Å²	11	60.9 Å²	60.9	7%	0.067	32%	0.316	C	S	.	.	H	α-helix	trans	-61.4	-47.3	177.2	172.1	0	0	0	0	110.6	L661 M667 H668 M669 M910 V912	L661-V665 HydrophobicContact CD2-CG2 3.95Å; L661-V665 HydrophobicContact CG-CG2 4.22Å; L661-V665 VanDerWaalsContact O-CB 3.32Å; L661-V665 WeakPolarHBondContact O-CB 3.27Å; L661-V665 VanDerWaalsContact O-CG2 3.25Å; L661-V665 WeakPolarHBondContact O-CG2 3.27Å; L661-V665 PolarHBondContact O-N 2.9Å; V665-M667 VanDerWaalsContact C-N 3.31Å; V665-M667 PolarHBondContact O-N 3.36Å; V665-H668 PolarHBondContact O-N 3.44Å; V665-M669 HydrophobicContact CG1-CG 4.26Å; V665-M669 HydrophobicContact CG1-SD 3.9Å; V665-M669 WeakPolarHBondContact O-CB 3.45Å; V665-M669 VanDerWaalsContact O-CG 3.27Å; V665-M669 WeakPolarHBondContact O-CG 3.4Å; V665-M669 PolarHBondContact O-N 2.92Å; V665-M910 HydrophobicContact CG1-CE 4.03Å; V665-V912 HydrophobicContact CG2-CG2 4.37Å
666	K	90.2	Very high	83.2	Confident	116 Å²	116	68 Å²	68	50%	0.504	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-36.7	175.6	-74.5	170.6	-175.4	164.2	0	113	D662 K670	D662-K666 VanDerWaalsContact O-CB 3.28Å; D662-K666 WeakPolarHBondContact O-CB 3.43Å; D662-K666 WeakPolarHBondContact O-CD 3.45Å; D662-K666 WeakPolarHBondContact O-CG 3.39Å; D662-K666 PolarHBondContact O-N 3.47Å; D662-K666 WeakPolarHBondContact OD1-CE 3.42Å; D662-K666 IonicContact OD1-NZ 3.27Å; D662-K666 PolarHBondContact OD1-NZ 3.32Å; D662-K666 WeakPolarHBondContact OD2-CE 3.46Å; D662-K666 IonicContact OD2-NZ 3.3Å; D662-K666 PolarHBondContact OD2-NZ 3.15Å; K666-K670 WeakPolarHBondContact O-CB 3.31Å; K666-K670 PolarHBondContact O-N 2.77Å
667	M	88.8	Confident	81.5	Confident	77 Å²	77	65.2 Å²	65.2	38%	0.379	32%	0.322	S	S	.	.	H	α-helix	trans	-61.8	-51.1	174.1	-178.5	-179.2	74.1	0	0	111.2	K663 V664 V665 K670 N671	K663-M667 WeakPolarHBondContact O-CB 3.43Å; K663-M667 PolarHBondContact O-N 2.91Å; V664-M667 WeakPolarHBondContact O-CB 3.45Å; V664-M667 PolarHBondContact O-N 3Å; V665-M667 VanDerWaalsContact C-N 3.31Å; V665-M667 PolarHBondContact O-N 3.36Å; M667-K670 PolarHBondContact O-N 2.78Å; M667-N671 WeakPolarHBondContact O-CB 3.42Å; M667-N671 PolarHBondContact O-N 2.81Å; M667-N671 PolarHBondContact O-OD1 2.95Å
668	H	88.8	Confident	79.9	Confident	7 Å²	7	65.7 Å²	65.7	3%	0.032	32%	0.324	C	S	.	.	H	α-helix	trans	-65.2	-43.5	177.7	-67.8	-63.1	0	0	0	112.4	V664 V665 K670 N671 F672 M910 E936	V664-H668 PolarHBondContact O-CD2 3.39Å; V664-H668 PolarHBondContact O-N 3.25Å; V665-H668 PolarHBondContact O-N 3.44Å; H668-K670 VanDerWaalsContact C-N 3.32Å; H668-K670 PolarHBondContact O-N 2.97Å; H668-N671 PolarHBondContact O-N 3Å; H668-N671 VanDerWaalsContact O-N 3.09Å; H668-F672 HydrophobicContact CB-CD2 4.18Å; H668-F672 HydrophobicContact CB-CE2 4.12Å; H668-F672 WeakPolarHBondContact O-CD2 3.48Å; H668-F672 PolarHBondContact O-N 3.39Å; H668-M910 HydrophobicContact CB-CE 4.03Å; H668-M910 HydrophobicContact CB-SD 3.76Å; H668-E936 IonicContact CE1-OE1 2.7Å; H668-E936 PolarHBondContact CE1-OE1 3.14Å; H668-E936 IonicContact NE2-OE1 3.77Å
669	M	86.2	Confident	78.2	Confident	61 Å²	61	66.3 Å²	66.3	30%	0.3	33%	0.331	S	S	.	.	H	α-helix	trans	-55.7	-45.7	175	-71.4	177.6	85.9	0	0	111.6	V665 A673 V831 M910	V665-M669 HydrophobicContact CG1-CG 4.26Å; V665-M669 HydrophobicContact CG1-SD 3.9Å; V665-M669 WeakPolarHBondContact O-CB 3.45Å; V665-M669 VanDerWaalsContact O-CG 3.27Å; V665-M669 WeakPolarHBondContact O-CG 3.4Å; V665-M669 PolarHBondContact O-N 2.92Å; M669-A673 WeakPolarHBondContact O-CB 3.42Å; M669-A673 PolarHBondContact O-N 3.45Å; M669-V831 HydrophobicContact CE-CG1 4.31Å; M669-V831 HydrophobicContact CE-CG2 4.32Å; M669-V831 HydrophobicContact CG-CG2 4.33Å; M669-M910 HydrophobicContact CG-CE 3.64Å
670	K	82.8	Confident	76.3	Confident	149 Å²	149	64.2 Å²	64.2	65%	0.648	31%	0.314	S	S	*	.	H	α-helix	trans	-61.8	-44.2	175.3	-176.5	-172.6	174.8	-168.1	0	111.5	K666 M667 H668 S674	K666-K670 WeakPolarHBondContact O-CB 3.31Å; K666-K670 PolarHBondContact O-N 2.77Å; M667-K670 PolarHBondContact O-N 2.78Å; H668-K670 VanDerWaalsContact C-N 3.32Å; H668-K670 PolarHBondContact O-N 2.97Å; K670-S674 WeakPolarHBondContact O-CB 3.41Å; K670-S674 PolarHBondContact O-N 3.14Å; K670-S674 PolarHBondContact O-OG 3.12Å
671	N	79.6	Confident	74.2	Confident	78 Å²	78	60.7 Å²	60.7	42%	0.417	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-51	179.9	-69.3	-8.3	0	0	0	110.8	M667 H668 S674 T675	M667-N671 WeakPolarHBondContact O-CB 3.42Å; M667-N671 PolarHBondContact O-N 2.81Å; M667-N671 PolarHBondContact O-OD1 2.95Å; H668-N671 PolarHBondContact O-N 3Å; H668-N671 VanDerWaalsContact O-N 3.09Å; N671-S674 PolarHBondContact O-N 3.2Å; N671-T675 WeakPolarHBondContact O-CB 3.48Å; N671-T675 PolarHBondContact O-N 3.01Å; N671-T675 VanDerWaalsContact O-N 3.13Å; N671-T675 PolarHBondContact O-OG1 3.42Å
672	F	76	Confident	71.9	Confident	10 Å²	10	63.3 Å²	63.3	4%	0.044	32%	0.317	C	S	.	.	H	α-helix	trans	-66.3	-38.2	178.9	-72.5	-65.4	0	0	0	113.2	H668 S674 T675 M910 V938 Y940 I980 M982	H668-F672 HydrophobicContact CB-CD2 4.18Å; H668-F672 HydrophobicContact CB-CE2 4.12Å; H668-F672 WeakPolarHBondContact O-CD2 3.48Å; H668-F672 PolarHBondContact O-N 3.39Å; F672-S674 VanDerWaalsContact C-N 3.27Å; F672-S674 PolarHBondContact O-N 2.81Å; F672-T675 WeakPolarHBondContact O-CB 3.32Å; F672-T675 PolarHBondContact O-N 3.1Å; F672-T675 VanDerWaalsContact O-N 3.12Å; F672-M910 HydrophobicContact CD2-SD 3.84Å; F672-M910 HydrophobicContact CE2-SD 4.09Å; F672-V938 HydrophobicContact CE2-CB 4.26Å; F672-V938 HydrophobicContact CE2-CG1 3.63Å; F672-V938 HydrophobicContact CZ-CB 4.4Å; F672-V938 HydrophobicContact CZ-CG1 4.1Å; F672-Y940 HydrophobicContact CB-CD1 3.82Å; F672-Y940 HydrophobicContact CB-CD2 4.43Å; F672-Y940 HydrophobicContact CB-CE1 3.84Å; F672-Y940 HydrophobicContact CB-CE2 4.47Å; F672-Y940 HydrophobicContact CB-CG 4.11Å; F672-Y940 AromaticContact CD1-CD1 3.55Å; F672-Y940 HydrophobicContact CD1-CD1 3.55Å; F672-Y940 HydrophobicContact CD1-CE1 4.31Å; F672-Y940 AromaticContact CD1-CG 3.91Å; F672-Y940 HydrophobicContact CD1-CG 3.91Å; F672-Y940 HydrophobicContact CD2-CG 4.2Å; F672-Y940 HydrophobicContact CE1-CD1 4.29Å; F672-Y940 HydrophobicContact CE1-CG 4.41Å; F672-Y940 AromaticContact CG-CD1 3.72Å; F672-Y940 HydrophobicContact CG-CD1 3.72Å; F672-Y940 HydrophobicContact CG-CD2 4.43Å; F672-Y940 HydrophobicContact CG-CE1 4.27Å; F672-Y940 AromaticContact CG-CG 3.79Å; F672-Y940 HydrophobicContact CG-CG 3.79Å; F672-I980 HydrophobicContact CD1-CD1 4.29Å; F672-I980 HydrophobicContact CE1-CB 4.1Å; F672-I980 HydrophobicContact CE1-CD1 4.36Å; F672-I980 HydrophobicContact CE1-CG2 3.88Å; F672-M982 HydrophobicContact CE1-SD 3.89Å; F672-M982 HydrophobicContact CZ-CG 4.25Å; F672-M982 HydrophobicContact CZ-SD 3.55Å; F672-M982 VanDerWaalsContact CZ-SD 3.55Å
673	A	63.1	Low	69.8	Low	45 Å²	45	67.4 Å²	67.4	37%	0.372	33%	0.333	S	S	.	.	H	α-helix	trans	-71.2	-19.9	175.9	0	0	0	0	0	113.9	M669 T836	M669-A673 WeakPolarHBondContact O-CB 3.42Å; M669-A673 PolarHBondContact O-N 3.45Å; A673-T836 HydrophobicContact CB-CG2 3.78Å
674	S	54.8	Low	67.4	Low	87 Å²	87	62.6 Å²	62.6	61%	0.608	32%	0.315	S	S	*	.	H	α-helix	trans	-88.6	-11	171.3	-52.5	0	0	0	0	112.9	K670 N671 F672 R676	K670-S674 WeakPolarHBondContact O-CB 3.41Å; K670-S674 PolarHBondContact O-N 3.14Å; K670-S674 PolarHBondContact O-OG 3.12Å; N671-S674 PolarHBondContact O-N 3.2Å; F672-S674 VanDerWaalsContact C-N 3.27Å; F672-S674 PolarHBondContact O-N 2.81Å; S674-R676 PolarHBondContact O-N 2.89Å
675	T	56.7	Low	64.7	Low	44 Å²	44	63.8 Å²	63.8	27%	0.27	32%	0.323	S	S	.	.			trans	-92.3	105	-163.2	-83.4	0	0	0	0	111.8	N671 F672 I677 I980	N671-T675 WeakPolarHBondContact O-CB 3.48Å; N671-T675 PolarHBondContact O-N 3.01Å; N671-T675 VanDerWaalsContact O-N 3.13Å; N671-T675 PolarHBondContact O-OG1 3.42Å; F672-T675 WeakPolarHBondContact O-CB 3.32Å; F672-T675 PolarHBondContact O-N 3.1Å; F672-T675 VanDerWaalsContact O-N 3.12Å; T675-I677 HydrophobicContact CG2-CB 3.5Å; T675-I677 VanDerWaalsContact CG2-CB 3.5Å; T675-I677 HydrophobicContact CG2-CD1 3.63Å; T675-I677 HydrophobicContact CG2-CG1 3.59Å; T675-I677 PolarHBondContact O-N 2.66Å; T675-I980 HydrophobicContact CG2-CD1 4.23Å
676	R	54.9	Low	61.9	Low	170 Å²	170	66.9 Å²	66.9	64%	0.642	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	25.7	171.2	-66	-172.2	-177.8	-149.1	8.7	113.8	S674 F678 D679	S674-R676 PolarHBondContact O-N 2.89Å; R676-F678 VanDerWaalsContact C-N 3.25Å; R676-F678 PolarHBondContact O-N 2.86Å; R676-D679 HydrophobicContact CB-CB 4.28Å; R676-D679 WeakPolarHBondContact CD-OD2 3.48Å; R676-D679 IonicContact NH1-OD2 2.7Å; R676-D679 WeakPolarHBondContact O-CA 3.49Å; R676-D679 VanDerWaalsContact O-CB 3.23Å; R676-D679 WeakPolarHBondContact O-CB 3.25Å; R676-D679 PolarHBondContact O-N 3.42Å
677	I	57.8	Low	59.4	Low	36 Å²	36	64.7 Å²	64.7	19%	0.185	34%	0.341	C	S	.	.	H	α-helix	trans	-69.7	-23.5	-172.5	-76	171.9	0	0	0	112.6	T675 D679 Y680 S681 Q760 I762 I980	T675-I677 HydrophobicContact CG2-CB 3.5Å; T675-I677 VanDerWaalsContact CG2-CB 3.5Å; T675-I677 HydrophobicContact CG2-CD1 3.63Å; T675-I677 HydrophobicContact CG2-CG1 3.59Å; T675-I677 PolarHBondContact O-N 2.66Å; I677-D679 VanDerWaalsContact C-N 3.28Å; I677-D679 PolarHBondContact O-N 3.32Å; I677-Y680 HydrophobicContact CB-CD2 4.42Å; I677-Y680 HydrophobicContact CG1-CD2 4Å; I677-Y680 HydrophobicContact CG1-CE2 4.19Å; I677-Y680 PolarHBondContact O-N 2.85Å; I677-S681 PolarHBondContact O-N 3.04Å; I677-Q760 VanDerWaalsContact CD1-NE2 3.3Å; I677-I762 HydrophobicContact CG2-CD1 3.37Å; I677-I762 HydrophobicContact CG2-CG1 3.89Å; I677-I980 HydrophobicContact CB-CD1 4.25Å; I677-I980 HydrophobicContact CG2-CD1 4.14Å
678	F	59.1	Low	56.8	Low	16 Å²	16	65 Å²	65	7%	0.07	35%	0.352	C	S	.	.	H	α-helix	trans	-65.6	-26.9	167.2	-59.5	-55.7	0	0	0	113.5	R676 Y680 S682 I762 Y940 Q942 R978 I980	R676-F678 VanDerWaalsContact C-N 3.25Å; R676-F678 PolarHBondContact O-N 2.86Å; F678-Y680 VanDerWaalsContact C-N 3.27Å; F678-Y680 PolarHBondContact O-N 3.36Å; F678-S682 WeakPolarHBondContact O-CB 3.5Å; F678-S682 PolarHBondContact O-N 2.74Å; F678-S682 PolarHBondContact O-OG 2.62Å; F678-I762 HydrophobicContact CD1-CG2 4.37Å; F678-I762 HydrophobicContact CE1-CG2 4.46Å; F678-Y940 HydrophobicContact CE2-CD1 4.48Å; F678-Y940 HydrophobicContact CE2-CE1 4.07Å; F678-Y940 HydrophobicContact CZ-CD1 4.4Å; F678-Y940 HydrophobicContact CZ-CE1 4.39Å; F678-Q942 HydrophobicContact CE2-CG 4.21Å; F678-R978 HydrophobicContact CD1-CB 3.86Å; F678-R978 HydrophobicContact CE1-CB 3.5Å; F678-R978 HydrophobicContact CZ-CB 4.05Å; F678-I980 HydrophobicContact CD1-CD1 4.37Å; F678-I980 HydrophobicContact CD1-CG1 4.35Å; F678-I980 HydrophobicContact CE1-CD1 3.82Å; F678-I980 HydrophobicContact CE1-CG1 3.51Å; F678-I980 HydrophobicContact CE2-CD1 4.04Å; F678-I980 HydrophobicContact CE2-CG1 4.47Å; F678-I980 HydrophobicContact CZ-CD1 3.65Å; F678-I980 HydrophobicContact CZ-CG1 3.6Å
679	D	56.1	Low	54.2	Low	62 Å²	62	72 Å²	72	33%	0.332	39%	0.389	S	S	.	.	H	α-helix	trans	-69.1	-24.9	173.5	-62.1	-0.4	0	0	0	111.8	R676 I677 S682 K683	R676-D679 HydrophobicContact CB-CB 4.28Å; R676-D679 WeakPolarHBondContact CD-OD2 3.48Å; R676-D679 IonicContact NH1-OD2 2.7Å; R676-D679 WeakPolarHBondContact O-CA 3.49Å; R676-D679 VanDerWaalsContact O-CB 3.23Å; R676-D679 WeakPolarHBondContact O-CB 3.25Å; R676-D679 PolarHBondContact O-N 3.42Å; I677-D679 VanDerWaalsContact C-N 3.28Å; I677-D679 PolarHBondContact O-N 3.32Å; D679-S682 WeakPolarHBondContact CA-OG 3.29Å; D679-S682 PolarHBondContact O-OG 3.3Å; D679-K683 WeakPolarHBondContact O-CB 3.46Å; D679-K683 VanDerWaalsContact O-CD 3.26Å; D679-K683 WeakPolarHBondContact O-CD 3.42Å; D679-K683 WeakPolarHBondContact O-CG 3.29Å; D679-K683 PolarHBondContact O-N 2.64Å
680	Y	52	Low	51.6	Low	75 Å²	75	73.1 Å²	73.1	29%	0.294	40%	0.403	S	S	.	.	H	α-helix	trans	-78.2	-46.8	174.8	-63.2	-53.4	0	0	0	111.3	I677 F678 K683 L684	I677-Y680 HydrophobicContact CB-CD2 4.42Å; I677-Y680 HydrophobicContact CG1-CD2 4Å; I677-Y680 HydrophobicContact CG1-CE2 4.19Å; I677-Y680 PolarHBondContact O-N 2.85Å; F678-Y680 VanDerWaalsContact C-N 3.27Å; F678-Y680 PolarHBondContact O-N 3.36Å; Y680-K683 PolarHBondContact O-N 3.28Å; Y680-L684 WeakPolarHBondContact O-CB 3.39Å; Y680-L684 VanDerWaalsContact O-CG 3.3Å; Y680-L684 WeakPolarHBondContact O-CG 3.5Å; Y680-L684 PolarHBondContact O-N 2.99Å
681	S	48.5	Very low	49	Very low	4 Å²	4	72.4 Å²	72.4	3%	0.028	41%	0.405	C	S	.	.	H	α-helix	trans	-59.9	-48.9	178	167.1	0	0	0	0	111.9	I677 K683 L684 C685	I677-S681 PolarHBondContact O-N 3.04Å; S681-K683 VanDerWaalsContact C-N 3.31Å; S681-K683 PolarHBondContact O-N 3.49Å; S681-L684 PolarHBondContact O-N 3.09Å; S681-C685 PolarHBondContact O-N 2.93Å; S681-C685 PolarHBondContact O-SG 3.4Å; S681-C685 VanDerWaalsContact O-SG 3.36Å
682	S	45.7	Very low	46.5	Very low	65 Å²	65	73.7 Å²	73.7	46%	0.455	42%	0.421	S	S	.	.	H	α-helix	trans	-60.3	-36.9	178.2	51.2	0	0	0	0	113.3	F678 D679 S686	F678-S682 WeakPolarHBondContact O-CB 3.5Å; F678-S682 PolarHBondContact O-N 2.74Å; F678-S682 PolarHBondContact O-OG 2.62Å; D679-S682 WeakPolarHBondContact CA-OG 3.29Å; D679-S682 PolarHBondContact O-OG 3.3Å; S682-S686 PolarHBondContact O-N 3.17Å
683	K	46.8	Very low	44.2	Very low	128 Å²	128	78.7 Å²	78.7	56%	0.557	46%	0.457	S	S	*	.	H	α-helix	trans	-69.3	-50	173.7	-72.5	172.7	-166.5	173	0	112.1	D679 Y680 S681 C685 S686 T687	D679-K683 WeakPolarHBondContact O-CB 3.46Å; D679-K683 VanDerWaalsContact O-CD 3.26Å; D679-K683 WeakPolarHBondContact O-CD 3.42Å; D679-K683 WeakPolarHBondContact O-CG 3.29Å; D679-K683 PolarHBondContact O-N 2.64Å; Y680-K683 PolarHBondContact O-N 3.28Å; S681-K683 VanDerWaalsContact C-N 3.31Å; S681-K683 PolarHBondContact O-N 3.49Å; K683-C685 VanDerWaalsContact C-N 3.29Å; K683-C685 PolarHBondContact O-N 2.87Å; K683-S686 WeakPolarHBondContact O-CB 3.42Å; K683-S686 PolarHBondContact O-N 2.84Å; K683-S686 PolarHBondContact O-OG 3.36Å; K683-T687 PolarHBondContact O-N 3.08Å; K683-T687 PolarHBondContact O-OG1 2.83Å
684	L	43.1	Very low	42.6	Very low	55 Å²	55	81.9 Å²	81.9	29%	0.288	48%	0.476	S	S	.	.	H	α-helix	trans	-58.6	-39.9	-178.5	-73.1	169.2	0	0	0	112.2	Y680 S681 S686 T687 I742	Y680-L684 WeakPolarHBondContact O-CB 3.39Å; Y680-L684 VanDerWaalsContact O-CG 3.3Å; Y680-L684 WeakPolarHBondContact O-CG 3.5Å; Y680-L684 PolarHBondContact O-N 2.99Å; S681-L684 PolarHBondContact O-N 3.09Å; L684-S686 VanDerWaalsContact C-N 3.26Å; L684-S686 PolarHBondContact O-N 2.87Å; L684-T687 PolarHBondContact O-OG1 3.47Å; L684-I742 HydrophobicContact CB-CD1 4.28Å; L684-I742 HydrophobicContact CD1-CD1 4.03Å
685	C	35.4	Very low	41.2	Very low	44 Å²	44	83.5 Å²	83.5	30%	0.297	49%	0.488	S	S	.	.	H	α-helix	trans	-74.2	-11.1	175.6	-61.1	0	0	0	0	114.2	S681 K683 S688	S681-C685 PolarHBondContact O-N 2.93Å; S681-C685 PolarHBondContact O-SG 3.4Å; S681-C685 VanDerWaalsContact O-SG 3.36Å; K683-C685 VanDerWaalsContact C-N 3.29Å; K683-C685 PolarHBondContact O-N 2.87Å; C685-S688 PolarHBondContact O-OG 2.8Å
686	S	34.6	Very low	39.9	Very low	75 Å²	75	86.5 Å²	86.5	52%	0.524	51%	0.511	S	S	.	.	H	α-helix	trans	-92.1	-30.9	177	73.2	0	0	0	0	113.7	S682 K683 L684 S688	S682-S686 PolarHBondContact O-N 3.17Å; K683-S686 WeakPolarHBondContact O-CB 3.42Å; K683-S686 PolarHBondContact O-N 2.84Å; K683-S686 PolarHBondContact O-OG 3.36Å; L684-S686 VanDerWaalsContact C-N 3.26Å; L684-S686 PolarHBondContact O-N 2.87Å; S686-S688 VanDerWaalsContact C-N 3.35Å; S686-S688 PolarHBondContact O-N 2.92Å
687	T	36.3	Very low	38.5	Very low	70 Å²	70	84.8 Å²	84.8	43%	0.429	52%	0.524	S	S	.	.	H	α-helix	trans	-73.5	-18.8	178.7	24.1	0	0	0	0	115	K683 L684 N689 S690	K683-T687 PolarHBondContact O-N 3.08Å; K683-T687 PolarHBondContact O-OG1 2.83Å; L684-T687 PolarHBondContact O-OG1 3.47Å; T687-N689 PolarHBondContact O-N 2.76Å; T687-S690 PolarHBondContact O-N 3.13Å; T687-S690 PolarHBondContact O-OG 2.99Å
688	S	35	Very low	37.2	Very low	85 Å²	85	87.7 Å²	87.7	59%	0.594	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.6	179.7	47.2	0	0	0	0	113.6	C685 S686	C685-S688 PolarHBondContact O-OG 2.8Å; S686-S688 VanDerWaalsContact C-N 3.35Å; S686-S688 PolarHBondContact O-N 2.92Å
689	N	33.7	Very low	35.5	Very low	153 Å²	153	94.9 Å²	94.9	82%	0.818	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	7.6	-177.2	-74.5	-23.4	0	0	0	114.5	T687	T687-N689 PolarHBondContact O-N 2.76Å
690	S	31.2	Very low	34.2	Very low	84 Å²	84	97.6 Å²	97.6	59%	0.587	61%	0.606	S	S	*	*	S	Bend	trans	-133	4	-172.4	60.6	0	0	0	0	116.3	T687	T687-S690 PolarHBondContact O-N 3.13Å; T687-S690 PolarHBondContact O-OG 2.99Å
691	L	29.9	Very low	32.8	Very low	134 Å²	134	100.5 Å²	100.5	70%	0.702	63%	0.631	S	S	*	*			trans	-124.8	55.4	-172.1	-76.3	166.2	0	0	0	114
692	S	25.7	Very low	31.7	Very low	106 Å²	106	106.4 Å²	106.4	74%	0.741	66%	0.662	S	S	*	*			trans	-70.6	142.7	151.8	55.6	0	0	0	0	110.3
693	S	27.6	Very low	30.8	Very low	115 Å²	115	107.4 Å²	107.4	80%	0.804	67%	0.669	S	S	*	*	S	Bend	trans	58.3	86.5	174.8	65.6	0	0	0	0	118
694	S	30.9	Very low	29.7	Very low	111 Å²	111	106.4 Å²	106.4	78%	0.776	68%	0.678	S	S	*	*				-164.5	135.8	124.8	49.4	0	0	0	0	110.4
695	S	25	Very low	28.8	Very low	121 Å²	121	111.2 Å²	111.2	85%	0.846	70%	0.704	S	S	*	*			trans	-115.8	111.4	-173.1	56.2	0	0	0	0	111.7
696	S	29.4	Very low	28.5	Very low	108 Å²	108	113.5 Å²	113.5	76%	0.755	73%	0.726	S	S	*	*			trans	-157.3	113	170.4	45.8	0	0	0	0	111.3
697	S	24.9	Very low	28	Very low	133 Å²	133	118.6 Å²	118.6	93%	0.93	74%	0.735	S	S	*	*			trans	-83.3	127.4	175	-50.9	0	0	0	0	110.6
698	S	29.5	Very low	27.6	Very low	98 Å²	98	122.1 Å²	122.1	69%	0.685	75%	0.751	S	S	*	*			trans	-148.3	111	170.6	58.6	0	0	0	0	111.4
699	N	24.7	Very low	27.3	Very low	166 Å²	166	125.3 Å²	125.3	89%	0.888	76%	0.762	S	S	*	*			trans	-67.9	137.5	167.7	-61.3	-34.9	0	0	0	109.2
700	V	28	Very low	27	Very low	120 Å²	120	125.2 Å²	125.2	73%	0.727	76%	0.76	S	S	*	*			trans	-129.2	125.3	170.1	-179.3	0	0	0	0	108.4	L702	V700-L702 HydrophobicContact CG1-CD1 4.41Å; V700-L702 HydrophobicContact CG1-CG 4.47Å
701	T	22.3	Very low	26.8	Very low	135 Å²	135	130.2 Å²	130.2	83%	0.828	77%	0.774	S	S	*	*			trans	-117.4	111.9	-177.7	-54.1	0	0	0	0	109.4
702	L	26.8	Very low	26.7	Very low	128 Å²	128	130 Å²	130	67%	0.67	78%	0.783	S	S	*	*			trans	-144.7	147.1	171.6	-69.1	172.3	0	0	0	106	V700	V700-L702 HydrophobicContact CG1-CD1 4.41Å; V700-L702 HydrophobicContact CG1-CG 4.47Å
703	S	25.7	Very low	26.8	Very low	86 Å²	86	132.4 Å²	132.4	60%	0.601	78%	0.783	S	S	*	*			cis	171.4	127.3	-28.3	43.3	0	0	0	0	102.7
704	S	24.4	Very low	26.7	Very low	107 Å²	107	134.6 Å²	134.6	75%	0.748	78%	0.78	S	S	*	*			trans	-62.9	145.4	-167.9	57.8	0	0	0	0	113.9
705	N	24.5	Very low	26.6	Very low	156 Å²	156	136.9 Å²	136.9	83%	0.834	78%	0.784	S	S	*	*				172	94.8	121	-81.9	-9.7	0	0	0	112.2
706	A	28	Very low	26.8	Very low	92 Å²	92	142.3 Å²	142.3	76%	0.76	79%	0.787	S	S	*	*			trans	-163.2	100.6	159.5	0	0	0	0	0	109.9
707	Y	24.4	Very low	26.8	Very low	182 Å²	182	140.6 Å²	140.6	71%	0.714	79%	0.787	S	S	*	*			trans	-95.5	169.1	161.6	-119.9	-111.5	0	0	0	108.9
708	D	28	Very low	26.9	Very low	144 Å²	144	142.6 Å²	142.6	77%	0.77	79%	0.787	S	S	*	*			trans	58.8	107.6	166.4	-52.6	-36.6	0	0	0	118.6
709	D	27.9	Very low	26.9	Very low	153 Å²	153	144 Å²	144	82%	0.818	80%	0.797	S	S	*	*			trans	-151.9	167.8	132.5	-148.4	-20.3	0	0	0	110.4
710	I	28.3	Very low	27.2	Very low	150 Å²	150	145.4 Å²	145.4	77%	0.769	80%	0.795	S	S	*	*	S	Bend	trans	77.2	48.3	-175.3	-37.5	174.8	0	0	0	114.4
711	H	27.7	Very low	27.2	Very low	190 Å²	190	146.2 Å²	146.2	88%	0.88	79%	0.794	S	S	*	*	S	Bend	trans	-157	63.7	144.7	-109.2	-48.1	0	0	0	112.9
712	S	28.3	Very low	27.4	Very low	128 Å²	128	147 Å²	147	90%	0.895	79%	0.793	S	S	*	*			trans	-152.9	167.1	164.4	-89.4	0	0	0	0	112.9
713	Q	25.9	Very low	27.4	Very low	157 Å²	157	144.6 Å²	144.6	73%	0.734	79%	0.787	S	S	*	*			trans	-113.2	144.6	-163.8	175.8	178.4	-25	0	0	110.8
714	E	26.1	Very low	27.5	Very low	162 Å²	162	145.5 Å²	145.5	76%	0.757	79%	0.793	S	S	*	*			trans	33.7	105.2	157.7	-60.8	164.9	154.2	0	0	119
715	D	30	Very low	27.7	Very low	159 Å²	159	145.7 Å²	145.7	85%	0.85	79%	0.794	S	S	*	*				-161	170.4	115.6	-137	-30.3	0	0	0	113.9
716	Y	28.3	Very low	28	Very low	234 Å²	234	145.7 Å²	145.7	92%	0.918	78%	0.784	S	S	*	*			trans	-90.1	125.8	-179.8	-88.9	-103	0	0	0	113.4
717	G	30.1	Very low	28.3	Very low	72 Å²	72	143.5 Å²	143.5	74%	0.742	77%	0.77	S	S	*	*			trans	-142.3	117.5	169.9	0	0	0	0	0	113.2	S719	G717-S719 PolarHBondContact O-N 3.19Å
718	N	25.9	Very low	29.7	Very low	176 Å²	176	138 Å²	138	94%	0.941	75%	0.753	S	S	*	*			trans	-71.8	123.6	168.2	-86.8	-32.5	0	0	0	109.7
719	S	30.8	Very low	31.2	Very low	127 Å²	127	135.3 Å²	135.3	89%	0.888	74%	0.743	S	S	*	*			trans	-136	165.8	151.9	-161.7	0	0	0	0	111.1	G717	G717-S719 PolarHBondContact O-N 3.19Å
720	K	29.8	Very low	32.6	Very low	196 Å²	196	135.2 Å²	135.2	85%	0.852	74%	0.737	S	S	*	*			trans	-99.7	150.8	-157.4	-163	177.1	176.9	-170.8	0	111.7
721	I	28.1	Very low	34.9	Very low	136 Å²	136	132.9 Å²	132.9	70%	0.697	73%	0.726	S	S	*	*			trans	-71.3	125.8	-179.8	-61	165.3	0	0	0	110.7	S723	I721-S723 WeakPolarHBondContact CG2-OG 3.49Å
722	D	26.3	Very low	37.6	Very low	153 Å²	153	126.6 Å²	126.6	82%	0.818	70%	0.695	S	S	*	*			trans	-116.7	113.4	154	-79	-41.4	0	0	0	108.8	S724	D722-S724 PolarHBondContact O-N 3.21Å
723	S	27.9	Very low	40.3	Very low	76 Å²	76	126.5 Å²	126.5	53%	0.531	68%	0.675	S	S	.	*			trans	-97.5	43.5	-171.2	-64.2	0	0	0	0	113.4	I721	I721-S723 WeakPolarHBondContact CG2-OG 3.49Å
724	S	28	Very low	43.2	Very low	105 Å²	105	122.4 Å²	122.4	73%	0.734	66%	0.657	S	S	*	*			trans	-138.7	40.4	-167.5	61.5	0	0	0	0	115.4	D722	D722-S724 PolarHBondContact O-N 3.21Å
725	S	27.2	Very low	46.1	Very low	111 Å²	111	116 Å²	116	78%	0.776	63%	0.629	S	S	*	*			trans	-152.4	103.5	155.8	-169	0	0	0	0	110.5
726	Y	31	Very low	48.9	Very low	156 Å²	156	109.5 Å²	109.5	61%	0.612	60%	0.595	S	S	*	*			trans	-114	53.4	179.5	-71.5	-72.4	0	0	0	111.1
727	G	35	Very low	51.8	Low	46 Å²	46	103.2 Å²	103.2	47%	0.474	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-78.2	158.8	168.9	0	0	0	0	0	112.3
728	I	53.8	Low	54.5	Low	68 Å²	68	103.7 Å²	103.7	35%	0.349	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-60.4	132.3	156.6	-63.7	168.9	0	0	0	106.4	E730 W732 F744	I728-E730 PolarHBondContact O-N 3.41Å; I728-W732 HydrophobicContact CG2-CB 3.74Å; I728-F744 HydrophobicContact CD1-CE1 4.08Å
729	P	58.7	Low	57.4	Low	86 Å²	86	98.4 Å²	98.4	56%	0.558	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-59.1	128.8	177.6	-19.6	30.5	0	0	0	109.4	N731 W732	P729-N731 PolarHBondContact O-N 3.48Å; P729-W732 PolarHBondContact O-N 2.95Å
730	E	57.8	Low	60.2	Low	152 Å²	152	95.6 Å²	95.6	71%	0.71	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-20.9	-159.4	-59.7	179.3	141	0	0	115.4	I728	I728-E730 PolarHBondContact O-N 3.41Å
731	N	75.6	Confident	63.2	Low	100 Å²	100	86.3 Å²	86.3	54%	0.535	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.8	179.7	-60.2	-45.4	0	0	0	114.7	P729 R746	P729-N731 PolarHBondContact O-N 3.48Å; N731-R746 HydrophobicContact CB-CG 4.1Å; N731-R746 WeakPolarHBondContact O-CA 3.32Å
732	W	84.4	Confident	66.3	Low	58 Å²	58	79.8 Å²	79.8	22%	0.22	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.9	178.4	-73.3	96.5	0	0	0	111.9	I728 P729 F744 R746 P758 Q760	I728-W732 HydrophobicContact CG2-CB 3.74Å; P729-W732 PolarHBondContact O-N 2.95Å; W732-F744 HydrophobicContact CE3-CB 3.77Å; W732-F744 HydrophobicContact CZ3-CB 4.29Å; W732-R746 HydrophobicContact CD2-CB 3.86Å; W732-R746 HydrophobicContact CE3-CB 3.93Å; W732-R746 HydrophobicContact CG-CB 4.37Å; W732-R746 HydrophobicContact CH2-CB 4.4Å; W732-R746 HydrophobicContact CZ2-CB 4.33Å; W732-R746 HydrophobicContact CZ3-CB 4.2Å; W732-P758 HydrophobicContact CH2-CB 4.11Å; W732-P758 VanDerWaalsContact CZ3-O 3.31Å; W732-P758 WeakPolarHBondContact CZ3-O 3.44Å; W732-Q760 HydrophobicContact CH2-CB 4.06Å; W732-Q760 HydrophobicContact CZ3-CB 3.98Å
733	R	86	Confident	69.4	Low	127 Å²	127	72.7 Å²	72.7	48%	0.479	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	140.3	175.1	-43	-168.7	-154.1	-69.5	3.6	110.6	F744 R745 E747	R733-F744 CarbonylContact O-C 3.58Å; R733-F744 VanDerWaalsContact O-CA 3.27Å; R733-F744 WeakPolarHBondContact O-CA 3.35Å; R733-R745 PolarHBondContact N-O 3.2Å; R733-R745 PolarHBondContact O-N 3.18Å; R733-E747 IonicContact CZ-OE1 3.62Å; R733-E747 IonicContact CZ-OE2 3.83Å; R733-E747 IonicContact NE-OE1 2.82Å; R733-E747 PolarHBondContact NE-OE1 2.97Å; R733-E747 IonicContact NE-OE2 3.95Å; R733-E747 PolarHBondContact NE-OE2 3.47Å; R733-E747 IonicContact NH2-OE2 3.66Å; R733-E747 PolarHBondContact NH2-OE2 2.73Å
734	I	87.5	Confident	72.4	Confident	70 Å²	70	70 Å²	70	36%	0.359	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	125.9	163.8	-62.1	171.9	0	0	0	107.7	Q737 I742 F744	I734-Q737 HydrophobicContact CG2-CB 4.33Å; I734-I742 HydrophobicContact CG1-CG2 4.46Å; I734-I742 HydrophobicContact CG2-CG2 4.15Å; I734-F744 HydrophobicContact CD1-CE1 4.06Å; I734-F744 HydrophobicContact CG1-CD1 3.7Å; I734-F744 HydrophobicContact CG1-CE1 3.54Å; I734-F744 HydrophobicContact CG1-CZ 4.41Å
735	V	86.3	Confident	75.5	Confident	27 Å²	27	66.1 Å²	66.1	16%	0.164	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-35.3	179.9	-176.2	0	0	0	0	111.3	I743 R745 Q1001	V735-I743 PolarHBondContact N-O 3.43Å; V735-R745 HydrophobicContact CG2-CB 3.42Å; V735-R745 VanDerWaalsContact CG2-CB 3.42Å; V735-Q1001 HydrophobicContact CG1-CB 3.93Å; V735-Q1001 HydrophobicContact CG1-CG 3.6Å
736	V	87.8	Confident	78.4	Confident	23 Å²	23	65.2 Å²	65.2	14%	0.139	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	137.1	179.1	177.9	0	0	0	0	109.3	E738 M741 I743 P1005	V736-E738 HydrophobicContact CG1-CB 4.4Å; V736-E738 HydrophobicContact CG1-CG 3.62Å; V736-E738 WeakPolarHBondContact CG1-OE2 3.48Å; V736-M741 HydrophobicContact CG1-CE 4.46Å; V736-I743 HydrophobicContact CB-CB 4.3Å; V736-I743 HydrophobicContact CB-CG1 4.37Å; V736-I743 PolarHBondContact N-O 3.2Å; V736-I743 PolarHBondContact O-N 3.39Å; V736-P1005 HydrophobicContact CB-CG 4.29Å; V736-P1005 HydrophobicContact CG1-CB 4.37Å; V736-P1005 HydrophobicContact CG1-CG 4.23Å; V736-P1005 HydrophobicContact CG2-CG 3.74Å
737	Q	89.5	Confident	81.2	Confident	102 Å²	102	60.7 Å²	60.7	48%	0.477	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	114.7	168.1	178.2	169.8	5.1	0	0	108.1	I734 M741 I742	I734-Q737 HydrophobicContact CG2-CB 4.33Å; Q737-M741 CarbonylContact C-O 3.52Å; Q737-M741 WeakPolarHBondContact CA-O 3.47Å; Q737-I742 HydrophobicContact CG-CG1 4.28Å
738	E	86.9	Confident	83.7	Confident	83 Å²	83	61.1 Å²	61.1	39%	0.388	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	97.7	-172.3	-70.4	-174.3	104.4	0	0	110.2	V736 D740 M741 K1009	V736-E738 HydrophobicContact CG1-CB 4.4Å; V736-E738 HydrophobicContact CG1-CG 3.62Å; V736-E738 WeakPolarHBondContact CG1-OE2 3.48Å; E738-D740 PolarHBondContact O-N 3.4Å; E738-M741 HydrophobicContact CB-CE 4.15Å; E738-M741 PolarHBondContact N-O 2.67Å; E738-M741 WeakPolarHBondContact O-CB 3.45Å; E738-M741 PolarHBondContact O-N 2.96Å; E738-M741 VanDerWaalsContact O-N 3.11Å; E738-M741 VanDerWaalsContact OE2-CE 3.31Å; E738-M741 WeakPolarHBondContact OE2-CE 3.4Å; E738-K1009 IonicContact OE1-NZ 3.38Å; E738-K1009 PolarHBondContact OE1-NZ 3.31Å; E738-K1009 VanDerWaalsContact OE2-CE 3.31Å; E738-K1009 WeakPolarHBondContact OE2-CE 3.39Å; E738-K1009 IonicContact OE2-NZ 2.88Å; E738-K1009 PolarHBondContact OE2-NZ 2.9Å
739	G	87.7	Confident	85.2	Confident	65 Å²	65	60.6 Å²	60.6	67%	0.67	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	-127.9	-173.8	0	0	0	0	0	111.3	M741	G739-M741 PolarHBondContact O-N 3.34Å
740	D	88.8	Confident	86.5	Confident	67 Å²	67	58 Å²	58	36%	0.358	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	2.2	178.2	-67.3	-32.2	0	0	0	114.3	E738 H763 V764 H766	E738-D740 PolarHBondContact O-N 3.4Å; D740-H763 WeakPolarHBondContact O-CA 3.37Å; D740-V764 HydrophobicContact CB-CB 3.85Å; D740-V764 HydrophobicContact CB-CG2 4.27Å; D740-V764 PolarHBondContact O-N 3Å; D740-H766 IonicContact OD2-CE1 3.44Å; D740-H766 PolarHBondContact OD2-CE1 2.92Å; D740-H766 IonicContact OD2-ND1 2.77Å
741	M	92	Very high	87.7	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.2	-179.4	-173.3	176.4	62.6	0	0	111.8	V736 Q737 E738 G739 I743 I762 H763 P1005 L1008 K1009	V736-M741 HydrophobicContact CG1-CE 4.46Å; Q737-M741 CarbonylContact C-O 3.52Å; Q737-M741 WeakPolarHBondContact CA-O 3.47Å; E738-M741 HydrophobicContact CB-CE 4.15Å; E738-M741 PolarHBondContact N-O 2.67Å; E738-M741 WeakPolarHBondContact O-CB 3.45Å; E738-M741 PolarHBondContact O-N 2.96Å; E738-M741 VanDerWaalsContact O-N 3.11Å; E738-M741 VanDerWaalsContact OE2-CE 3.31Å; E738-M741 WeakPolarHBondContact OE2-CE 3.4Å; G739-M741 PolarHBondContact O-N 3.34Å; M741-I743 HydrophobicContact CG-CG1 4.32Å; M741-I743 HydrophobicContact SD-CD1 4.35Å; M741-I762 WeakPolarHBondContact CA-O 3.25Å; M741-H763 HydrophobicContact CB-CB 4.46Å; M741-H763 HydrophobicContact CG-CB 4.33Å; M741-P1005 HydrophobicContact CE-CB 3.81Å; M741-L1008 HydrophobicContact SD-CB 3.64Å; M741-L1008 HydrophobicContact SD-CD1 3.97Å; M741-L1008 HydrophobicContact SD-CG 4.48Å; M741-K1009 HydrophobicContact CE-CD 4.27Å; M741-K1009 HydrophobicContact CE-CG 4.15Å
742	I	93.2	Very high	88	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.2	174.6	-45	-179.5	0	0	0	108.9	L684 I734 Q737 F744 A761 I762	L684-I742 HydrophobicContact CB-CD1 4.28Å; L684-I742 HydrophobicContact CD1-CD1 4.03Å; I734-I742 HydrophobicContact CG1-CG2 4.46Å; I734-I742 HydrophobicContact CG2-CG2 4.15Å; Q737-I742 HydrophobicContact CG-CG1 4.28Å; I742-F744 HydrophobicContact CB-CE2 4.02Å; I742-F744 HydrophobicContact CB-CZ 4.35Å; I742-F744 HydrophobicContact CG2-CD2 4.3Å; I742-F744 HydrophobicContact CG2-CE1 4.25Å; I742-F744 HydrophobicContact CG2-CE2 3.58Å; I742-F744 HydrophobicContact CG2-CZ 3.56Å; I742-A761 CarbonylContact O-C 3.53Å; I742-A761 VanDerWaalsContact O-CA 3.31Å; I742-A761 WeakPolarHBondContact O-CA 3.46Å; I742-I762 PolarHBondContact N-O 3.12Å; I742-I762 PolarHBondContact O-N 3.18Å
743	I	92.8	Very high	87.8	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.015	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.3	178.8	-50	-167.7	0	0	0	110.2	V735 V736 M741 L759 A761 P1005 L1008	V735-I743 PolarHBondContact N-O 3.43Å; V736-I743 HydrophobicContact CB-CB 4.3Å; V736-I743 HydrophobicContact CB-CG1 4.37Å; V736-I743 PolarHBondContact N-O 3.2Å; V736-I743 PolarHBondContact O-N 3.39Å; M741-I743 HydrophobicContact CG-CG1 4.32Å; M741-I743 HydrophobicContact SD-CD1 4.35Å; I743-L759 HydrophobicContact CG2-CD1 3.72Å; I743-L759 HydrophobicContact CG2-CD2 4.07Å; I743-L759 HydrophobicContact CG2-CG 3.89Å; I743-A761 HydrophobicContact CB-CB 4.36Å; I743-A761 HydrophobicContact CD1-CB 4.34Å; I743-A761 HydrophobicContact CG1-CB 3.84Å; I743-A761 HydrophobicContact CG2-CB 4.27Å; I743-P1005 HydrophobicContact CD1-CB 4.15Å; I743-P1005 HydrophobicContact CD1-CG 3.82Å; I743-L1008 HydrophobicContact CD1-CD1 3.89Å; I743-L1008 HydrophobicContact CG1-CD1 4.41Å
744	F	91.4	Very high	87.9	Confident	20 Å²	20	54.7 Å²	54.7	9%	0.088	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	141.9	176.9	-52.8	-97.4	0	0	0	110.1	I728 W732 R733 I734 I742 L759 Q760 I762	I728-F744 HydrophobicContact CD1-CE1 4.08Å; W732-F744 HydrophobicContact CE3-CB 3.77Å; W732-F744 HydrophobicContact CZ3-CB 4.29Å; R733-F744 CarbonylContact O-C 3.58Å; R733-F744 VanDerWaalsContact O-CA 3.27Å; R733-F744 WeakPolarHBondContact O-CA 3.35Å; I734-F744 HydrophobicContact CD1-CE1 4.06Å; I734-F744 HydrophobicContact CG1-CD1 3.7Å; I734-F744 HydrophobicContact CG1-CE1 3.54Å; I734-F744 HydrophobicContact CG1-CZ 4.41Å; I742-F744 HydrophobicContact CB-CE2 4.02Å; I742-F744 HydrophobicContact CB-CZ 4.35Å; I742-F744 HydrophobicContact CG2-CD2 4.3Å; I742-F744 HydrophobicContact CG2-CE1 4.25Å; I742-F744 HydrophobicContact CG2-CE2 3.58Å; I742-F744 HydrophobicContact CG2-CZ 3.56Å; F744-L759 WeakPolarHBondContact O-CA 3.24Å; F744-Q760 WeakPolarHBondContact CA-O 3.49Å; F744-Q760 WeakPolarHBondContact CD2-O 3.36Å; F744-Q760 PolarHBondContact N-O 3.23Å; F744-Q760 PolarHBondContact O-N 3.44Å; F744-I762 HydrophobicContact CE2-CD1 3.72Å; F744-I762 HydrophobicContact CE2-CG1 4.13Å; F744-I762 HydrophobicContact CZ-CD1 4.38Å
745	R	91.4	Very high	87.9	Confident	23 Å²	23	51.6 Å²	51.6	9%	0.087	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.3	171.2	-176.4	-179.9	73.7	-147.6	1.3	109.3	R733 V735 E747 D757 P758	R733-R745 PolarHBondContact N-O 3.2Å; R733-R745 PolarHBondContact O-N 3.18Å; V735-R745 HydrophobicContact CG2-CB 3.42Å; V735-R745 VanDerWaalsContact CG2-CB 3.42Å; R745-E747 IonicContact CZ-OE1 3.27Å; R745-E747 IonicContact NE-OE1 3.71Å; R745-E747 IonicContact NH2-OE1 2.78Å; R745-E747 PolarHBondContact NH2-OE1 2.72Å; R745-D757 WeakPolarHBondContact CD-OD2 3.4Å; R745-D757 HydrophobicContact CG-CB 4.15Å; R745-D757 IonicContact NE-OD2 3.59Å; R745-P758 WeakPolarHBondContact CA-O 3.3Å
746	R	89.6	Confident	88	Confident	93 Å²	93	52.5 Å²	52.5	35%	0.351	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.5	161	176.1	169.9	66.8	157.8	1.4	107.5	N731 W732 L748 D757 P758	N731-R746 HydrophobicContact CB-CG 4.1Å; N731-R746 WeakPolarHBondContact O-CA 3.32Å; W732-R746 HydrophobicContact CD2-CB 3.86Å; W732-R746 HydrophobicContact CE3-CB 3.93Å; W732-R746 HydrophobicContact CG-CB 4.37Å; W732-R746 HydrophobicContact CH2-CB 4.4Å; W732-R746 HydrophobicContact CZ2-CB 4.33Å; W732-R746 HydrophobicContact CZ3-CB 4.2Å; R746-L748 PolarHBondContact O-N 2.69Å; R746-D757 CarbonylContact O-C 3.58Å; R746-D757 VanDerWaalsContact O-CA 3.26Å; R746-D757 WeakPolarHBondContact O-CA 3.19Å; R746-P758 HydrophobicContact CB-CB 4.42Å; R746-P758 PolarHBondContact N-O 2.83Å; R746-P758 WeakPolarHBondContact O-CD 3.17Å
747	E	88.4	Confident	88.2	Confident	60 Å²	60	52.3 Å²	52.3	28%	0.28	29%	0.293	S	S	.	.			trans	-75.3	124.4	173.6	-82.2	157.9	-147.6	0	0	109.6	R733 R745 D757	R733-E747 IonicContact CZ-OE1 3.62Å; R733-E747 IonicContact CZ-OE2 3.83Å; R733-E747 IonicContact NE-OE1 2.82Å; R733-E747 PolarHBondContact NE-OE1 2.97Å; R733-E747 IonicContact NE-OE2 3.95Å; R733-E747 PolarHBondContact NE-OE2 3.47Å; R733-E747 IonicContact NH2-OE2 3.66Å; R733-E747 PolarHBondContact NH2-OE2 2.73Å; R745-E747 IonicContact CZ-OE1 3.27Å; R745-E747 IonicContact NE-OE1 3.71Å; R745-E747 IonicContact NH2-OE1 2.78Å; R745-E747 PolarHBondContact NH2-OE1 2.72Å; E747-D757 VanDerWaalsContact CA-OD1 3.32Å; E747-D757 WeakPolarHBondContact CA-OD1 3.28Å
748	L	88.3	Confident	88.3	Confident	55 Å²	55	47.8 Å²	47.8	29%	0.288	27%	0.273	S	S	.	.			trans	-148.6	132.3	-175.2	-176.8	63.2	0	0	0	109.7	R746 L756 D757 P758	R746-L748 PolarHBondContact O-N 2.69Å; L748-L756 HydrophobicContact CD2-CB 4.32Å; L748-L756 HydrophobicContact CD2-CD1 4.36Å; L748-L756 HydrophobicContact CG-CB 4.38Å; L748-L756 PolarHBondContact O-N 2.78Å; L748-D757 PolarHBondContact N-OD1 3.42Å; L748-D757 PolarHBondContact O-N 2.82Å; L748-D757 VanDerWaalsContact O-N 3.13Å; L748-P758 HydrophobicContact CB-CG 4.45Å; L748-P758 HydrophobicContact CD2-CG 3.92Å
749	V	85.4	Confident	88.6	Confident	58 Å²	58	44 Å²	44	35%	0.352	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-126.4	137.1	175.9	-166.2	0	0	0	0	106.6	G753 V754 V755	V749-G753 WeakPolarHBondContact CG1-O 3.43Å; V749-V754 CarbonylContact C-O 3.49Å; V749-V754 WeakPolarHBondContact CA-O 3.4Å; V749-V755 HydrophobicContact CG2-CG2 4.27Å
750	S	85.5	Confident	88.8	Confident	31 Å²	31	41.8 Å²	41.8	22%	0.217	23%	0.227	C	C	.	.			trans	-70.1	165.7	170.9	76.8	0	0	0	0	110.9	D752 G753 V754	S750-D752 PolarHBondContact O-N 2.89Å; S750-D752 VanDerWaalsContact O-N 3.17Å; S750-D752 PolarHBondContact OG-N 3.06Å; S750-D752 PolarHBondContact OG-OD2 3.21Å; S750-D752 VanDerWaalsContact OG-OD2 3.07Å; S750-G753 WeakPolarHBondContact O-CA 3.32Å; S750-G753 PolarHBondContact O-N 3.13Å; S750-V754 PolarHBondContact N-O 3.36Å; S750-V754 PolarHBondContact OG-N 3.35Å
751	D	82.3	Confident	89	Confident	155 Å²	155	38.6 Å²	38.6	83%	0.829	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.6	176.5	-51.3	-47.9	0	0	0	112.2	G753	D751-G753 PolarHBondContact O-N 3.09Å
752	D	82.4	Confident	89	Confident	144 Å²	144	38.6 Å²	38.6	77%	0.77	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-0.6	172.1	-39.2	-79.7	0	0	0	114.1	S750 V754	S750-D752 PolarHBondContact O-N 2.89Å; S750-D752 VanDerWaalsContact O-N 3.17Å; S750-D752 PolarHBondContact OG-N 3.06Å; S750-D752 PolarHBondContact OG-OD2 3.21Å; S750-D752 VanDerWaalsContact OG-OD2 3.07Å; D752-V754 HydrophobicContact CB-CG2 4.23Å
753	G	81.5	Confident	89	Confident	46 Å²	46	39.6 Å²	39.6	47%	0.474	22%	0.215	S	C	.	.	S	Bend	trans	78.9	12.3	-174.9	0	0	0	0	0	114.7	V749 S750 D751	V749-G753 WeakPolarHBondContact CG1-O 3.43Å; S750-G753 WeakPolarHBondContact O-CA 3.32Å; S750-G753 PolarHBondContact O-N 3.13Å; D751-G753 PolarHBondContact O-N 3.09Å
754	V	87	Confident	89.1	Confident	22 Å²	22	40.3 Å²	40.3	13%	0.133	22%	0.219	C	C	.	.			trans	-85.4	124.5	179.9	-179	0	0	0	0	110.3	V749 S750 D752 L756 P987	V749-V754 CarbonylContact C-O 3.49Å; V749-V754 WeakPolarHBondContact CA-O 3.4Å; S750-V754 PolarHBondContact N-O 3.36Å; S750-V754 PolarHBondContact OG-N 3.35Å; D752-V754 HydrophobicContact CB-CG2 4.23Å; V754-L756 HydrophobicContact CG1-CD2 4.42Å; V754-L756 PolarHBondContact O-N 3.26Å; V754-P987 HydrophobicContact CG1-CG 3.52Å
755	V	87.8	Confident	89.2	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.03	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-72.7	124.9	177.2	177.9	0	0	0	0	110.7	V749 D757 P987 A993 L996	V749-V755 HydrophobicContact CG2-CG2 4.27Å; V755-D757 HydrophobicContact CG1-CB 3.83Å; V755-D757 VanDerWaalsContact CG1-CG 3.45Å; V755-D757 WeakPolarHBondContact CG1-OD1 3.4Å; V755-P987 WeakPolarHBondContact O-CD 3.32Å; V755-A993 HydrophobicContact CG2-CB 3.46Å; V755-A993 VanDerWaalsContact CG2-CB 3.46Å; V755-L996 HydrophobicContact CB-CD2 4.11Å; V755-L996 HydrophobicContact CG1-CD2 4.11Å
756	L	89	Confident	89.3	Confident	46 Å²	46	42.6 Å²	42.6	24%	0.241	23%	0.231	C	C	.	.			trans	-109.7	-27.8	178.1	-58.5	179.8	0	0	0	112.6	L748 V754 P758 N986	L748-L756 HydrophobicContact CD2-CB 4.32Å; L748-L756 HydrophobicContact CD2-CD1 4.36Å; L748-L756 HydrophobicContact CG-CB 4.38Å; L748-L756 PolarHBondContact O-N 2.78Å; V754-L756 HydrophobicContact CG1-CD2 4.42Å; V754-L756 PolarHBondContact O-N 3.26Å; L756-P758 VanDerWaalsContact O-N 3.15Å; L756-N986 HydrophobicContact CD2-CB 3.82Å
757	D	90.6	Very high	89.4	Confident	19 Å²	19	39 Å²	39	10%	0.102	22%	0.223	C	C	.	.			trans	23.9	68.4	174.5	-85.3	24.7	0	0	0	116.6	R745 R746 E747 L748 V755 L759 R997	R745-D757 WeakPolarHBondContact CD-OD2 3.4Å; R745-D757 HydrophobicContact CG-CB 4.15Å; R745-D757 IonicContact NE-OD2 3.59Å; R746-D757 CarbonylContact O-C 3.58Å; R746-D757 VanDerWaalsContact O-CA 3.26Å; R746-D757 WeakPolarHBondContact O-CA 3.19Å; E747-D757 VanDerWaalsContact CA-OD1 3.32Å; E747-D757 WeakPolarHBondContact CA-OD1 3.28Å; L748-D757 PolarHBondContact N-OD1 3.42Å; L748-D757 PolarHBondContact O-N 2.82Å; L748-D757 VanDerWaalsContact O-N 3.13Å; V755-D757 HydrophobicContact CG1-CB 3.83Å; V755-D757 VanDerWaalsContact CG1-CG 3.45Å; V755-D757 WeakPolarHBondContact CG1-OD1 3.4Å; D757-L759 PolarHBondContact O-N 2.89Å; D757-R997 IonicContact OD1-CZ 2.75Å; D757-R997 IonicContact OD1-NE 2.72Å; D757-R997 IonicContact OD1-NH2 2.77Å; D757-R997 PolarHBondContact OD1-NH2 2.89Å; D757-R997 WeakPolarHBondContact OD2-CD 3.37Å; D757-R997 WeakPolarHBondContact OD2-CG 3.46Å; D757-R997 IonicContact OD2-CZ 3.48Å; D757-R997 IonicContact OD2-NE 3.38Å; D757-R997 PolarHBondContact OD2-NE 3.33Å; D757-R997 IonicContact OD2-NH2 2.75Å
758	P	92.3	Very high	89.7	Confident	7 Å²	7	36.1 Å²	36.1	5%	0.045	21%	0.209	C	C	.	.			trans	-46.9	129.1	177.5	-34	39	0	0	0	113.8	W732 R745 R746 L748 L756 N984	W732-P758 HydrophobicContact CH2-CB 4.11Å; W732-P758 VanDerWaalsContact CZ3-O 3.31Å; W732-P758 WeakPolarHBondContact CZ3-O 3.44Å; R745-P758 WeakPolarHBondContact CA-O 3.3Å; R746-P758 HydrophobicContact CB-CB 4.42Å; R746-P758 PolarHBondContact N-O 2.83Å; R746-P758 WeakPolarHBondContact O-CD 3.17Å; L748-P758 HydrophobicContact CB-CG 4.45Å; L748-P758 HydrophobicContact CD2-CG 3.92Å; L756-P758 VanDerWaalsContact O-N 3.15Å; P758-N984 VanDerWaalsContact CB-OD1 3.31Å; P758-N984 WeakPolarHBondContact CB-OD1 3.42Å
759	L	92.5	Very high	89.9	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.9	-176.5	-176.3	134.4	0	0	0	111.5	I743 F744 D757 Y981 M982 A983 Y1004	I743-L759 HydrophobicContact CG2-CD1 3.72Å; I743-L759 HydrophobicContact CG2-CD2 4.07Å; I743-L759 HydrophobicContact CG2-CG 3.89Å; F744-L759 WeakPolarHBondContact O-CA 3.24Å; D757-L759 PolarHBondContact O-N 2.89Å; L759-Y981 HydrophobicContact CD2-CD1 4.38Å; L759-Y981 HydrophobicContact CD2-CE1 4.36Å; L759-M982 WeakPolarHBondContact O-CA 3.33Å; L759-A983 PolarHBondContact N-O 2.94Å; L759-A983 PolarHBondContact O-N 3.33Å; L759-Y1004 HydrophobicContact CD1-CD2 3.42Å; L759-Y1004 VanDerWaalsContact CD1-CD2 3.42Å; L759-Y1004 HydrophobicContact CD1-CE2 3.76Å; L759-Y1004 HydrophobicContact CD1-CG 4.03Å; L759-Y1004 HydrophobicContact CD2-CD1 4.01Å; L759-Y1004 HydrophobicContact CD2-CD2 4.01Å; L759-Y1004 HydrophobicContact CD2-CE1 4.21Å; L759-Y1004 HydrophobicContact CD2-CE2 4.2Å; L759-Y1004 HydrophobicContact CD2-CG 3.9Å; L759-Y1004 HydrophobicContact CG-CD2 4.28Å; L759-Y1004 HydrophobicContact CG-CE2 4.38Å
760	Q	92.3	Very high	90.3	Very high	18 Å²	18	30.7 Å²	30.7	8%	0.084	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	128.5	174.7	-179	169.4	5.9	0	0	109.7	I677 W732 F744 I980 Y981 M982	I677-Q760 VanDerWaalsContact CD1-NE2 3.3Å; W732-Q760 HydrophobicContact CH2-CB 4.06Å; W732-Q760 HydrophobicContact CZ3-CB 3.98Å; F744-Q760 WeakPolarHBondContact CA-O 3.49Å; F744-Q760 WeakPolarHBondContact CD2-O 3.36Å; F744-Q760 PolarHBondContact N-O 3.23Å; F744-Q760 PolarHBondContact O-N 3.44Å; Q760-I980 HydrophobicContact CG-CG2 3.92Å; Q760-I980 VanDerWaalsContact NE2-CG2 3.3Å; Q760-Y981 CarbonylContact C-O 3.54Å; Q760-Y981 WeakPolarHBondContact CA-O 3.04Å; Q760-M982 HydrophobicContact CB-CG 4.2Å; Q760-M982 HydrophobicContact CG-CG 3.82Å
761	A	93.2	Very high	90.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.3	176.9	0	0	0	0	0	111.2	I742 I743 I980 Y981 L1008	I742-A761 CarbonylContact O-C 3.53Å; I742-A761 VanDerWaalsContact O-CA 3.31Å; I742-A761 WeakPolarHBondContact O-CA 3.46Å; I743-A761 HydrophobicContact CB-CB 4.36Å; I743-A761 HydrophobicContact CD1-CB 4.34Å; I743-A761 HydrophobicContact CG1-CB 3.84Å; I743-A761 HydrophobicContact CG2-CB 4.27Å; A761-I980 CarbonylContact O-C 3.6Å; A761-I980 VanDerWaalsContact O-CA 3.3Å; A761-I980 WeakPolarHBondContact O-CA 3.34Å; A761-Y981 PolarHBondContact N-O 2.9Å; A761-Y981 PolarHBondContact O-N 2.85Å; A761-L1008 HydrophobicContact CB-CD1 3.41Å; A761-L1008 VanDerWaalsContact CB-CD1 3.41Å
762	I	92.7	Very high	91.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.4	170.8	-46.2	169.9	0	0	0	107	I677 F678 M741 I742 F744 L979	I677-I762 HydrophobicContact CG2-CD1 3.37Å; I677-I762 HydrophobicContact CG2-CG1 3.89Å; F678-I762 HydrophobicContact CD1-CG2 4.37Å; F678-I762 HydrophobicContact CE1-CG2 4.46Å; M741-I762 WeakPolarHBondContact CA-O 3.25Å; I742-I762 PolarHBondContact N-O 3.12Å; I742-I762 PolarHBondContact O-N 3.18Å; F744-I762 HydrophobicContact CE2-CD1 3.72Å; F744-I762 HydrophobicContact CE2-CG1 4.13Å; F744-I762 HydrophobicContact CZ-CD1 4.38Å; I762-L979 WeakPolarHBondContact CA-O 3.49Å
763	H	93.7	Very high	92	Very high	21 Å²	21	18.9 Å²	18.9	10%	0.097	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	137.7	174.5	-167	-176.3	0	0	0	110.1	D740 M741 L979 S1012	D740-H763 WeakPolarHBondContact O-CA 3.37Å; M741-H763 HydrophobicContact CB-CB 4.46Å; M741-H763 HydrophobicContact CG-CB 4.33Å; H763-L979 HydrophobicContact CB-CD1 4Å; H763-L979 HydrophobicContact CB-CD2 4.15Å; H763-L979 HydrophobicContact CB-CG 3.9Å; H763-L979 PolarHBondContact N-O 3.43Å; H763-L979 PolarHBondContact O-N 2.86Å; H763-S1012 PolarHBondContact CE1-OG 2.81Å; H763-S1012 VanDerWaalsContact CE1-OG 3.27Å
764	V	93.8	Very high	92.7	Very high	19 Å²	19	16.7 Å²	16.7	12%	0.115	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.3	169.3	-168.6	0	0	0	0	110	D740 C976 T977 R978	D740-V764 HydrophobicContact CB-CB 3.85Å; D740-V764 HydrophobicContact CB-CG2 4.27Å; D740-V764 PolarHBondContact O-N 3Å; V764-C976 HydrophobicContact CG1-CB 3.92Å; V764-T977 WeakPolarHBondContact CA-O 3.43Å; V764-R978 HydrophobicContact CG1-CG 4.22Å; V764-R978 HydrophobicContact CG2-CG 4.05Å
765	V	93.8	Very high	93.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	97.3	-174.5	-171	0	0	0	0	109.2	V768 M773 T977 L979 K1016	V765-V768 HydrophobicContact CB-CG2 3.99Å; V765-V768 HydrophobicContact CG1-CG2 3.54Å; V765-M773 HydrophobicContact CG1-SD 4.44Å; V765-M773 HydrophobicContact CG2-CE 4.17Å; V765-T977 PolarHBondContact N-O 2.99Å; V765-T977 PolarHBondContact O-N 2.79Å; V765-L979 HydrophobicContact CG2-CD2 3.78Å; V765-K1016 HydrophobicContact CG1-CD 4.3Å; V765-K1016 HydrophobicContact CG1-CG 4.31Å
766	H	92.9	Very high	93.4	Very high	90 Å²	90	18.1 Å²	18.1	42%	0.417	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	145.6	175.3	-63.5	91.3	0	0	0	112.3	D740 K1016	D740-H766 IonicContact OD2-CE1 3.44Å; D740-H766 PolarHBondContact OD2-CE1 2.92Å; D740-H766 IonicContact OD2-ND1 2.77Å; H766-K1016 WeakPolarHBondContact O-CE 3.33Å
767	G	92	Very high	93.8	Very high	17 Å²	17	16.4 Å²	16.4	18%	0.175	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	-4.7	172.9	0	0	0	0	0	117	R972 L975	G767-R972 WeakPolarHBondContact CA-O 3.32Å; G767-R972 WeakPolarHBondContact O-CD 3.33Å; G767-R972 PolarHBondContact O-NH1 3.36Å; G767-L975 PolarHBondContact N-O 2.97Å
768	V	93.7	Very high	94	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.			trans	-131.4	160.1	-174.7	-52	0	0	0	0	111.4	V765 E772 M773 T977 V1015 K1016	V765-V768 HydrophobicContact CB-CG2 3.99Å; V765-V768 HydrophobicContact CG1-CG2 3.54Å; V768-E772 WeakPolarHBondContact CA-OE2 3.12Å; V768-M773 HydrophobicContact CB-CG 4.48Å; V768-M773 HydrophobicContact CG2-CG 3.67Å; V768-M773 HydrophobicContact CG2-SD 3.79Å; V768-T977 PolarHBondContact O-OG1 3.35Å; V768-V1015 HydrophobicContact CB-CG1 4.47Å; V768-V1015 HydrophobicContact CG1-CG1 4.23Å; V768-K1016 HydrophobicContact CG1-CB 4.36Å; V768-K1016 HydrophobicContact CG1-CG 3.69Å
769	T	94.1	Very high	94	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.08	C	C	.	.			trans	-101.3	162.2	175.1	70.3	0	0	0	0	113.2	R771 E772 M773 T943 L975 T977 P1024 L1025 F1026	T769-R771 VanDerWaalsContact C-N 3.32Å; T769-R771 PolarHBondContact O-N 3.4Å; T769-E772 PolarHBondContact N-OE2 3Å; T769-E772 VanDerWaalsContact N-OE2 3.13Å; T769-E772 PolarHBondContact O-N 3.44Å; T769-E772 WeakPolarHBondContact OG1-CB 3.32Å; T769-E772 WeakPolarHBondContact OG1-CG 3.23Å; T769-E772 PolarHBondContact OG1-N 3.07Å; T769-M773 WeakPolarHBondContact O-CG 3.37Å; T769-M773 PolarHBondContact O-N 2.96Å; T769-T943 WeakPolarHBondContact CA-OG1 3.3Å; T769-T943 HydrophobicContact CG2-CG2 4.23Å; T769-L975 HydrophobicContact CG2-CD1 4.32Å; T769-T977 VanDerWaalsContact CA-OG1 3.23Å; T769-T977 WeakPolarHBondContact CA-OG1 3.48Å; T769-T977 PolarHBondContact O-OG1 2.74Å; T769-P1024 HydrophobicContact CG2-CB 4.09Å; T769-L1025 VanDerWaalsContact CB-O 3.24Å; T769-L1025 WeakPolarHBondContact CB-O 3.49Å; T769-L1025 VanDerWaalsContact CG2-O 3.32Å; T769-L1025 WeakPolarHBondContact CG2-O 3.09Å; T769-L1025 PolarHBondContact OG1-O 2.81Å; T769-F1026 HydrophobicContact CG2-CD1 3.98Å; T769-F1026 HydrophobicContact CG2-CE1 3.76Å; T769-F1026 HydrophobicContact CG2-CZ 4.33Å
770	A	93.7	Very high	93.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.9	-41.3	173.4	0	0	0	0	0	111.5	E772 M773 C774 W909 C941 T943 T977	A770-E772 PolarHBondContact O-N 3.29Å; A770-M773 PolarHBondContact O-N 3.1Å; A770-C774 WeakPolarHBondContact O-CB 3.44Å; A770-C774 PolarHBondContact O-N 2.93Å; A770-W909 HydrophobicContact CB-CB 4.25Å; A770-C941 HydrophobicContact CB-CB 3.41Å; A770-C941 VanDerWaalsContact CB-CB 3.41Å; A770-T943 WeakPolarHBondContact CB-OG1 3.27Å; A770-T943 PolarHBondContact N-OG1 3.07Å; A770-T977 HydrophobicContact CB-CG2 4.33Å; A770-T977 PolarHBondContact N-OG1 2.76Å; A770-T977 VanDerWaalsContact N-OG1 3.13Å
771	R	94.2	Very high	93.6	Very high	73 Å²	73	17.5 Å²	17.5	28%	0.275	8%	0.084	S	C	.	.	H	α-helix	trans	-59.4	-44.2	173	-177.8	51.5	176.4	-80.7	18.1	112.6	T769 T775 W909 L1025 F1026	T769-R771 VanDerWaalsContact C-N 3.32Å; T769-R771 PolarHBondContact O-N 3.4Å; R771-T775 WeakPolarHBondContact CD-OG1 3.39Å; R771-T775 PolarHBondContact NE-OG1 3.19Å; R771-T775 VanDerWaalsContact O-CB 3.23Å; R771-T775 WeakPolarHBondContact O-CB 3.41Å; R771-T775 PolarHBondContact O-N 2.71Å; R771-T775 PolarHBondContact O-OG1 3.05Å; R771-W909 HydrophobicContact CB-CD2 4.43Å; R771-W909 HydrophobicContact CB-CG 4.3Å; R771-W909 HydrophobicContact CG-CZ2 4.46Å; R771-W909 VanDerWaalsContact CZ-CH2 3.46Å; R771-W909 VanDerWaalsContact NH1-CH2 3.32Å; R771-L1025 HydrophobicContact CG-CD2 3.79Å; R771-L1025 HydrophobicContact CG-CG 3.77Å; R771-F1026 WeakPolarHBondContact CB-OXT 3.21Å
772	E	95.4	Very high	93.4	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.037	9%	0.093	C	C	.	.	H	α-helix	trans	-62.2	-50	177.8	-74.2	166.9	174.4	0	0	111.1	V768 T769 A770 T775 Y776 R972 V1015 T1019 L1025	V768-E772 WeakPolarHBondContact CA-OE2 3.12Å; T769-E772 PolarHBondContact N-OE2 3Å; T769-E772 VanDerWaalsContact N-OE2 3.13Å; T769-E772 PolarHBondContact O-N 3.44Å; T769-E772 WeakPolarHBondContact OG1-CB 3.32Å; T769-E772 WeakPolarHBondContact OG1-CG 3.23Å; T769-E772 PolarHBondContact OG1-N 3.07Å; A770-E772 PolarHBondContact O-N 3.29Å; E772-T775 PolarHBondContact O-N 3.3Å; E772-Y776 WeakPolarHBondContact O-CD2 3.48Å; E772-Y776 PolarHBondContact O-N 3.05Å; E772-R972 IonicContact OE1-CZ 3.07Å; E772-R972 IonicContact OE1-NH1 2.71Å; E772-R972 PolarHBondContact OE1-NH1 2.82Å; E772-R972 IonicContact OE1-NH2 3.46Å; E772-R972 PolarHBondContact OE1-NH2 3.31Å; E772-R972 IonicContact OE2-CZ 2.87Å; E772-R972 IonicContact OE2-NH1 3.64Å; E772-R972 PolarHBondContact OE2-NH1 3.48Å; E772-R972 IonicContact OE2-NH2 3.66Å; E772-V1015 HydrophobicContact CB-CG1 4.35Å; E772-T1019 HydrophobicContact CB-CG2 4.06Å; E772-T1019 HydrophobicContact CG-CG2 3.92Å; E772-L1025 HydrophobicContact CG-CB 4.16Å; E772-L1025 PolarHBondContact OE1-N 2.83Å; E772-L1025 VanDerWaalsContact OE1-N 3.14Å
773	M	96.1	Very high	93.3	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.1	-48.6	178.7	-70.8	-65.7	-73.4	0	0	112.3	V765 V768 T769 A770 F777 T977 L979 F1011 V1015	V765-M773 HydrophobicContact CG1-SD 4.44Å; V765-M773 HydrophobicContact CG2-CE 4.17Å; V768-M773 HydrophobicContact CB-CG 4.48Å; V768-M773 HydrophobicContact CG2-CG 3.67Å; V768-M773 HydrophobicContact CG2-SD 3.79Å; T769-M773 WeakPolarHBondContact O-CG 3.37Å; T769-M773 PolarHBondContact O-N 2.96Å; A770-M773 PolarHBondContact O-N 3.1Å; M773-F777 PolarHBondContact O-N 3.48Å; M773-T977 HydrophobicContact CG-CG2 4.13Å; M773-L979 HydrophobicContact CE-CD2 3.48Å; M773-L979 VanDerWaalsContact CE-CD2 3.48Å; M773-F1011 HydrophobicContact CE-CD1 4.02Å; M773-F1011 HydrophobicContact CE-CE1 3.66Å; M773-F1011 WeakPolarHBondContact O-CZ 3.28Å; M773-F1011 HydrophobicContact SD-CE1 4.38Å; M773-V1015 HydrophobicContact CG-CG1 4.46Å; M773-V1015 HydrophobicContact SD-CB 3.68Å; M773-V1015 HydrophobicContact SD-CG1 3.63Å; M773-V1015 HydrophobicContact SD-CG2 3.89Å
774	C	96.1	Very high	93.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.8	-40.4	178	-72.8	0	0	0	0	112.2	A770 F777 W778 I828 W909 V911	A770-C774 WeakPolarHBondContact O-CB 3.44Å; A770-C774 PolarHBondContact O-N 2.93Å; C774-F777 PolarHBondContact O-N 3Å; C774-W778 WeakPolarHBondContact O-CB 3.46Å; C774-W778 PolarHBondContact O-N 3.12Å; C774-I828 HydrophobicContact CB-CD1 3.89Å; C774-I828 HydrophobicContact CB-CG1 4.37Å; C774-W909 HydrophobicContact CB-CB 3.93Å; C774-W909 VanDerWaalsContact SG-C 3.6Å; C774-W909 VanDerWaalsContact SG-CB 3.6Å; C774-V911 HydrophobicContact CB-CG2 3.64Å; C774-V911 WeakPolarHBondContact O-CG2 3.43Å
775	T	94.7	Very high	92.9	Very high	38 Å²	38	25 Å²	25	23%	0.233	12%	0.117	C	C	.	.	H	α-helix	trans	-64.5	-43	180	-56.6	0	0	0	0	112	R771 E772 F777 W778 D779	R771-T775 WeakPolarHBondContact CD-OG1 3.39Å; R771-T775 PolarHBondContact NE-OG1 3.19Å; R771-T775 VanDerWaalsContact O-CB 3.23Å; R771-T775 WeakPolarHBondContact O-CB 3.41Å; R771-T775 PolarHBondContact O-N 2.71Å; R771-T775 PolarHBondContact O-OG1 3.05Å; E772-T775 PolarHBondContact O-N 3.3Å; T775-F777 VanDerWaalsContact C-N 3.34Å; T775-F777 PolarHBondContact O-N 2.78Å; T775-W778 PolarHBondContact O-N 3.18Å; T775-D779 WeakPolarHBondContact O-CB 3.32Å; T775-D779 PolarHBondContact O-N 3.19Å
776	Y	95.4	Very high	92.9	Very high	20 Å²	20	25.3 Å²	25.3	8%	0.078	12%	0.117	C	C	.	.	H	α-helix	trans	-73.5	-21.3	179.3	-87	-71.5	0	0	0	114.3	E772 Y782 W786 Y1014 V1015 Q1018 T1019 K1022	E772-Y776 WeakPolarHBondContact O-CD2 3.48Å; E772-Y776 PolarHBondContact O-N 3.05Å; Y776-Y782 HydrophobicContact CD1-CD1 4.3Å; Y776-Y782 AromaticContact CD1-CD2 3.48Å; Y776-Y782 HydrophobicContact CD1-CD2 3.48Å; Y776-Y782 VanDerWaalsContact CD1-CD2 3.48Å; Y776-Y782 AromaticContact CD1-CE2 3.84Å; Y776-Y782 HydrophobicContact CD1-CE2 3.84Å; Y776-Y782 AromaticContact CD1-CG 3.74Å; Y776-Y782 HydrophobicContact CD1-CG 3.74Å; Y776-Y782 AromaticContact CE1-CD1 3.97Å; Y776-Y782 HydrophobicContact CE1-CD1 3.97Å; Y776-Y782 AromaticContact CE1-CD2 3.74Å; Y776-Y782 HydrophobicContact CE1-CD2 3.74Å; Y776-Y782 AromaticContact CE1-CE1 3.95Å; Y776-Y782 HydrophobicContact CE1-CE1 3.95Å; Y776-Y782 AromaticContact CE1-CE2 3.71Å; Y776-Y782 HydrophobicContact CE1-CE2 3.71Å; Y776-Y782 AromaticContact CE1-CG 3.87Å; Y776-Y782 HydrophobicContact CE1-CG 3.87Å; Y776-Y782 AromaticContact CE1-CZ 3.83Å; Y776-W786 PolarHBondContact O-NE1 3.04Å; Y776-Y1014 AromaticContact CD1-CE1 3.75Å; Y776-Y1014 HydrophobicContact CD1-CE1 3.75Å; Y776-Y1014 HydrophobicContact CE1-CE1 4.17Å; Y776-Y1014 HydrophobicContact CG-CE1 4.48Å; Y776-V1015 HydrophobicContact CD2-CG1 3.97Å; Y776-V1015 HydrophobicContact CD2-CG2 4.33Å; Y776-V1015 HydrophobicContact CG-CG2 4.12Å; Y776-Q1018 HydrophobicContact CE1-CB 4.13Å; Y776-Q1018 HydrophobicContact CE1-CG 4.19Å; Y776-Q1018 HydrophobicContact CE2-CB 4.22Å; Y776-T1019 HydrophobicContact CD2-CG2 4.46Å; Y776-T1019 HydrophobicContact CE2-CG2 3.9Å; Y776-K1022 PolarHBondContact OH-NZ 3.36Å
777	F	96.4	Very high	92.8	Very high	10 Å²	10	22.3 Å²	22.3	4%	0.044	10%	0.104	C	C	.	.	H	α-helix	trans	-77.2	-42.6	171.2	-174.9	-113	0	0	0	111.6	M773 C774 T775 R783 W786 V911 V937 L939 Y981 F1007 F1011	M773-F777 PolarHBondContact O-N 3.48Å; C774-F777 PolarHBondContact O-N 3Å; T775-F777 VanDerWaalsContact C-N 3.34Å; T775-F777 PolarHBondContact O-N 2.78Å; F777-R783 PolarHBondContact O-NH2 2.9Å; F777-W786 AromaticContact CD2-CH2 3.7Å; F777-W786 HydrophobicContact CD2-CH2 3.7Å; F777-W786 AromaticContact CD2-CZ2 3.95Å; F777-W786 HydrophobicContact CD2-CZ2 3.95Å; F777-W786 AromaticContact CE2-CH2 3.88Å; F777-W786 HydrophobicContact CE2-CH2 3.88Å; F777-V911 HydrophobicContact CD1-CB 3.82Å; F777-V911 HydrophobicContact CD1-CG1 3.79Å; F777-V911 HydrophobicContact CD1-CG2 4.16Å; F777-V911 HydrophobicContact CE1-CB 4.28Å; F777-V911 HydrophobicContact CE1-CG1 4.11Å; F777-V937 HydrophobicContact CZ-CG1 4.17Å; F777-L939 HydrophobicContact CB-CD2 3.59Å; F777-L939 HydrophobicContact CD1-CB 3.92Å; F777-L939 HydrophobicContact CD1-CD2 3.8Å; F777-L939 HydrophobicContact CD2-CD2 4.16Å; F777-L939 HydrophobicContact CE1-CB 3.95Å; F777-L939 HydrophobicContact CG-CD2 3.59Å; F777-Y981 HydrophobicContact CE2-CE2 4.39Å; F777-Y981 HydrophobicContact CZ-CE2 4.13Å; F777-F1007 HydrophobicContact CD2-CZ 4.33Å; F777-F1007 HydrophobicContact CE2-CE2 4.32Å; F777-F1007 AromaticContact CE2-CZ 3.85Å; F777-F1007 HydrophobicContact CE2-CZ 3.85Å; F777-F1011 HydrophobicContact CB-CE1 4.31Å; F777-F1011 HydrophobicContact CB-CE2 4.21Å; F777-F1011 HydrophobicContact CB-CZ 3.65Å; F777-F1011 HydrophobicContact CD2-CZ 4.33Å; F777-F1011 HydrophobicContact CG-CZ 4.46Å
778	W	95.4	Very high	92.8	Very high	14 Å²	14	23.3 Å²	23.3	5%	0.053	10%	0.103	C	C	.	.	H	α-helix	trans	-76.7	-49.3	-175.4	-176.5	75.9	0	0	0	113.6	I645 C774 T775 V780 R783 D802 D803 V805 S826 I828 V911	I645-W778 HydrophobicContact CD1-CH2 3.94Å; I645-W778 HydrophobicContact CD1-CZ2 4.48Å; I645-W778 HydrophobicContact CD1-CZ3 4.31Å; I645-W778 HydrophobicContact CG1-CH2 4.34Å; I645-W778 HydrophobicContact CG2-CH2 3.5Å; I645-W778 VanDerWaalsContact CG2-CH2 3.5Å; I645-W778 HydrophobicContact CG2-CZ3 3.73Å; C774-W778 WeakPolarHBondContact O-CB 3.46Å; C774-W778 PolarHBondContact O-N 3.12Å; T775-W778 PolarHBondContact O-N 3.18Å; W778-V780 PolarHBondContact O-N 3.36Å; W778-R783 PolarHBondContact O-NH2 3.09Å; W778-D802 VanDerWaalsContact CH2-O 3.29Å; W778-D802 WeakPolarHBondContact CH2-O 3.39Å; W778-D803 WeakPolarHBondContact CZ2-O 3.48Å; W778-V805 HydrophobicContact CZ2-CG1 4.17Å; W778-V805 HydrophobicContact CZ2-CG2 4.43Å; W778-S826 PolarHBondContact NE1-O 3.13Å; W778-I828 HydrophobicContact CB-CB 4.3Å; W778-I828 HydrophobicContact CB-CD1 4.21Å; W778-I828 HydrophobicContact CD2-CB 3.98Å; W778-I828 HydrophobicContact CD2-CG2 3.49Å; W778-I828 VanDerWaalsContact CD2-CG2 3.49Å; W778-I828 HydrophobicContact CE3-CG2 3.71Å; W778-I828 HydrophobicContact CG-CB 3.84Å; W778-I828 HydrophobicContact CG-CG2 3.94Å; W778-I828 HydrophobicContact CH2-CG2 4.14Å; W778-I828 HydrophobicContact CZ2-CG2 3.99Å; W778-I828 HydrophobicContact CZ3-CG2 4.01Å; W778-V911 HydrophobicContact CB-CG1 4.07Å; W778-V911 HydrophobicContact CB-CG2 4.03Å; W778-V911 HydrophobicContact CG-CG1 4.32Å
779	D	91	Very high	92.7	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.048	12%	0.116	C	C	.	.			trans	-64.2	110.8	-175.4	-177.1	-4.6	0	0	0	111.6	S642 T775 R781 Y782	S642-D779 WeakPolarHBondContact CB-OD1 3.45Å; S642-D779 PolarHBondContact OG-OD1 2.82Å; T775-D779 WeakPolarHBondContact O-CB 3.32Å; T775-D779 PolarHBondContact O-N 3.19Å; D779-R781 PolarHBondContact O-N 2.9Å; D779-R781 VanDerWaalsContact O-N 3.1Å; D779-R781 WeakPolarHBondContact OD1-CB 3.38Å; D779-R781 IonicContact OD1-CZ 2.7Å; D779-R781 PolarHBondContact OD1-N 3Å; D779-R781 VanDerWaalsContact OD1-N 3.16Å; D779-R781 IonicContact OD1-NE 3.94Å; D779-R781 PolarHBondContact OD1-NE 3.36Å; D779-R781 IonicContact OD1-NH2 2.62Å; D779-R781 IonicContact OD2-CZ 2.63Å; D779-R781 VanDerWaalsContact OD2-CZ 3.27Å; D779-R781 IonicContact OD2-NE 2.69Å; D779-R781 PolarHBondContact OD2-NE 3.2Å; D779-R781 IonicContact OD2-NH2 3.49Å; D779-R781 PolarHBondContact OD2-NH2 2.89Å; D779-Y782 HydrophobicContact CB-CD2 3.84Å; D779-Y782 HydrophobicContact CB-CE2 3.89Å; D779-Y782 PolarHBondContact O-N 2.88Å; D779-Y782 VanDerWaalsContact OD2-CE2 3.22Å; D779-Y782 WeakPolarHBondContact OD2-CE2 3.06Å
780	V	88.4	Confident	92.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-64.9	-18.9	-170.6	-158.7	0	0	0	0	112.6	L638 W778 Y782 R783 P794 V796 V805	L638-V780 HydrophobicContact CD1-CG1 4.33Å; L638-V780 HydrophobicContact CD2-CB 3.96Å; L638-V780 HydrophobicContact CD2-CG1 3.48Å; L638-V780 VanDerWaalsContact CD2-CG1 3.48Å; W778-V780 PolarHBondContact O-N 3.36Å; V780-Y782 VanDerWaalsContact C-N 3.31Å; V780-Y782 PolarHBondContact O-N 3.26Å; V780-R783 HydrophobicContact CG1-CB 4.4Å; V780-R783 VanDerWaalsContact O-CB 3.24Å; V780-R783 WeakPolarHBondContact O-CB 3.12Å; V780-R783 PolarHBondContact O-N 2.84Å; V780-P794 HydrophobicContact CG1-CB 4.1Å; V780-P794 HydrophobicContact CG1-CG 4.18Å; V780-V796 HydrophobicContact CB-CG2 4.33Å; V780-V796 HydrophobicContact CG1-CG2 4.34Å; V780-V796 HydrophobicContact CG2-CG2 4.04Å; V780-V805 HydrophobicContact CG2-CG2 4.42Å
781	R	88	Confident	91.9	Very high	47 Å²	47	29.4 Å²	29.4	18%	0.177	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-52.2	-48	172.9	-82.4	-179.3	-70.9	-125.6	-8.7	112.7	S642 D779 R783	S642-R781 PolarHBondContact O-NH1 3.46Å; S642-R781 PolarHBondContact O-NH2 2.7Å; D779-R781 PolarHBondContact O-N 2.9Å; D779-R781 VanDerWaalsContact O-N 3.1Å; D779-R781 WeakPolarHBondContact OD1-CB 3.38Å; D779-R781 IonicContact OD1-CZ 2.7Å; D779-R781 PolarHBondContact OD1-N 3Å; D779-R781 VanDerWaalsContact OD1-N 3.16Å; D779-R781 IonicContact OD1-NE 3.94Å; D779-R781 PolarHBondContact OD1-NE 3.36Å; D779-R781 IonicContact OD1-NH2 2.62Å; D779-R781 IonicContact OD2-CZ 2.63Å; D779-R781 VanDerWaalsContact OD2-CZ 3.27Å; D779-R781 IonicContact OD2-NE 2.69Å; D779-R781 PolarHBondContact OD2-NE 3.2Å; D779-R781 IonicContact OD2-NH2 3.49Å; D779-R781 PolarHBondContact OD2-NH2 2.89Å; R781-R783 VanDerWaalsContact C-N 3.26Å; R781-R783 PolarHBondContact O-N 3.46Å
782	Y	89.7	Confident	91.4	Very high	48 Å²	48	29.1 Å²	29.1	19%	0.188	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-82.5	-5.9	-172.8	-50.8	-62.7	0	0	0	112.7	Y776 D779 V780 M784 E785 Y1014	Y776-Y782 HydrophobicContact CD1-CD1 4.3Å; Y776-Y782 AromaticContact CD1-CD2 3.48Å; Y776-Y782 HydrophobicContact CD1-CD2 3.48Å; Y776-Y782 VanDerWaalsContact CD1-CD2 3.48Å; Y776-Y782 AromaticContact CD1-CE2 3.84Å; Y776-Y782 HydrophobicContact CD1-CE2 3.84Å; Y776-Y782 AromaticContact CD1-CG 3.74Å; Y776-Y782 HydrophobicContact CD1-CG 3.74Å; Y776-Y782 AromaticContact CE1-CD1 3.97Å; Y776-Y782 HydrophobicContact CE1-CD1 3.97Å; Y776-Y782 AromaticContact CE1-CD2 3.74Å; Y776-Y782 HydrophobicContact CE1-CD2 3.74Å; Y776-Y782 AromaticContact CE1-CE1 3.95Å; Y776-Y782 HydrophobicContact CE1-CE1 3.95Å; Y776-Y782 AromaticContact CE1-CE2 3.71Å; Y776-Y782 HydrophobicContact CE1-CE2 3.71Å; Y776-Y782 AromaticContact CE1-CG 3.87Å; Y776-Y782 HydrophobicContact CE1-CG 3.87Å; Y776-Y782 AromaticContact CE1-CZ 3.83Å; D779-Y782 HydrophobicContact CB-CD2 3.84Å; D779-Y782 HydrophobicContact CB-CE2 3.89Å; D779-Y782 PolarHBondContact O-N 2.88Å; D779-Y782 VanDerWaalsContact OD2-CE2 3.22Å; D779-Y782 WeakPolarHBondContact OD2-CE2 3.06Å; V780-Y782 VanDerWaalsContact C-N 3.31Å; V780-Y782 PolarHBondContact O-N 3.26Å; Y782-M784 VanDerWaalsContact C-N 3.31Å; Y782-M784 PolarHBondContact O-N 2.74Å; Y782-E785 WeakPolarHBondContact CD1-OE1 3.38Å; Y782-E785 WeakPolarHBondContact O-CB 3.48Å; Y782-E785 PolarHBondContact O-N 3.49Å; Y782-Y1014 WeakPolarHBondContact CD1-OH 3.22Å
783	R	90.6	Very high	91.1	Very high	6 Å²	6	29.1 Å²	29.1	2%	0.023	14%	0.14	C	C	.	.	H	α-helix	trans	-53.7	-48.2	-173.4	-169.8	64.3	52.6	71	2.2	111.1	F777 W778 V780 R781 E785 W786 E787 P794 Q809	F777-R783 PolarHBondContact O-NH2 2.9Å; W778-R783 PolarHBondContact O-NH2 3.09Å; V780-R783 HydrophobicContact CG1-CB 4.4Å; V780-R783 VanDerWaalsContact O-CB 3.24Å; V780-R783 WeakPolarHBondContact O-CB 3.12Å; V780-R783 PolarHBondContact O-N 2.84Å; R781-R783 VanDerWaalsContact C-N 3.26Å; R781-R783 PolarHBondContact O-N 3.46Å; R783-E785 PolarHBondContact O-N 2.98Å; R783-W786 PolarHBondContact O-N 3.42Å; R783-E787 HydrophobicContact CG-CB 4.13Å; R783-E787 WeakPolarHBondContact O-CA 3.48Å; R783-E787 WeakPolarHBondContact O-CB 3.15Å; R783-E787 PolarHBondContact O-N 3.44Å; R783-P794 HydrophobicContact CG-CG 4.12Å; R783-Q809 VanDerWaalsContact NH1-OE1 3.14Å
784	M	90	Very high	90.9	Very high	59 Å²	59	29.4 Å²	29.4	29%	0.291	14%	0.142	S	C	.	.	H	α-helix	trans	-72	-9	-178.5	-59.7	-54.2	-66.9	0	0	114.6	L635 Y782 V790 P793	L635-M784 HydrophobicContact CD2-CG 4.41Å; Y782-M784 VanDerWaalsContact C-N 3.31Å; Y782-M784 PolarHBondContact O-N 2.74Å; M784-V790 HydrophobicContact CE-CG1 4.5Å; M784-V790 HydrophobicContact SD-CG1 4.21Å; M784-P793 HydrophobicContact CG-CB 4.23Å
785	E	90.4	Very high	90.6	Very high	86 Å²	86	30.7 Å²	30.7	40%	0.402	15%	0.152	S	C	.	.	H	α-helix	trans	-82.7	-41.1	175.6	-62.6	176.3	-131.3	0	0	111.1	Y782 R783 R1010 Y1014 Q1018	Y782-E785 WeakPolarHBondContact CD1-OE1 3.38Å; Y782-E785 WeakPolarHBondContact O-CB 3.48Å; Y782-E785 PolarHBondContact O-N 3.49Å; R783-E785 PolarHBondContact O-N 2.98Å; E785-R1010 PolarHBondContact O-NH2 3.37Å; E785-Y1014 HydrophobicContact CB-CD2 4.38Å; E785-Y1014 HydrophobicContact CB-CE2 3.59Å; E785-Y1014 HydrophobicContact CG-CE2 4.41Å; E785-Y1014 WeakPolarHBondContact OE2-CE2 3.33Å; E785-Y1014 VanDerWaalsContact OE2-CZ 3.32Å; E785-Y1014 PolarHBondContact OE2-OH 3.32Å; E785-Q1018 PolarHBondContact OE2-NE2 3.02Å
786	W	92.3	Very high	90.4	Very high	5 Å²	5	30.5 Å²	30.5	2%	0.019	15%	0.151	C	C	.	.	H	α-helix	trans	-104.3	-31.8	-178	59.3	-104	0	0	0	114.8	Y776 F777 R783 F1007 R1010 F1011 Y1014	Y776-W786 PolarHBondContact O-NE1 3.04Å; F777-W786 AromaticContact CD2-CH2 3.7Å; F777-W786 HydrophobicContact CD2-CH2 3.7Å; F777-W786 AromaticContact CD2-CZ2 3.95Å; F777-W786 HydrophobicContact CD2-CZ2 3.95Å; F777-W786 AromaticContact CE2-CH2 3.88Å; F777-W786 HydrophobicContact CE2-CH2 3.88Å; R783-W786 PolarHBondContact O-N 3.42Å; W786-F1007 HydrophobicContact CE3-CD2 4.27Å; W786-F1007 AromaticContact CE3-CE2 3.99Å; W786-F1007 HydrophobicContact CE3-CE2 3.99Å; W786-F1007 HydrophobicContact CH2-CE2 4.34Å; W786-F1007 HydrophobicContact CZ3-CD2 4.1Å; W786-F1007 AromaticContact CZ3-CE2 3.6Å; W786-F1007 HydrophobicContact CZ3-CE2 3.6Å; W786-R1010 VanDerWaalsContact O-CD 3.23Å; W786-R1010 WeakPolarHBondContact O-CD 3.47Å; W786-R1010 PolarHBondContact O-NE 2.97Å; W786-F1011 HydrophobicContact CB-CD2 4.34Å; W786-F1011 AromaticContact CD2-CD2 3.67Å; W786-F1011 HydrophobicContact CD2-CD2 3.67Å; W786-F1011 HydrophobicContact CD2-CE2 4.21Å; W786-F1011 AromaticContact CE2-CD2 3.84Å; W786-F1011 AromaticContact CE2-CE2 3.89Å; W786-F1011 HydrophobicContact CE3-CD2 4.12Å; W786-F1011 AromaticContact CG-CD2 3.79Å; W786-F1011 HydrophobicContact CG-CD2 3.79Å; W786-F1011 HydrophobicContact CG-CE2 4.37Å; W786-F1011 HydrophobicContact CZ2-CD2 4.42Å; W786-F1011 HydrophobicContact CZ2-CE2 4.3Å; W786-F1011 AromaticContact NE1-CE2 3.85Å; W786-Y1014 HydrophobicContact CB-CD1 4.06Å; W786-Y1014 HydrophobicContact CB-CG 4.05Å; W786-Y1014 AromaticContact CD1-CD1 3.71Å; W786-Y1014 AromaticContact CD1-CE1 3.64Å; W786-Y1014 HydrophobicContact CG-CD1 4.23Å
787	E	91.5	Very high	90.3	Very high	28 Å²	28	31 Å²	31	13%	0.131	16%	0.155	C	C	.	.			trans	-73.1	137.4	179.7	-173.9	53.3	-95.1	0	0	111.1	R783 T789 V790	R783-E787 HydrophobicContact CG-CB 4.13Å; R783-E787 WeakPolarHBondContact O-CA 3.48Å; R783-E787 WeakPolarHBondContact O-CB 3.15Å; R783-E787 PolarHBondContact O-N 3.44Å; E787-T789 WeakPolarHBondContact OE1-CB 3.41Å; E787-T789 WeakPolarHBondContact OE1-CG2 3.27Å; E787-T789 PolarHBondContact OE1-N 3.04Å; E787-T789 PolarHBondContact OE1-OG1 3.3Å; E787-V790 HydrophobicContact CG-CB 4.19Å; E787-V790 HydrophobicContact CG-CG2 4.11Å
788	F	91.2	Very high	90.1	Very high	37 Å²	37	33.2 Å²	33.2	16%	0.162	17%	0.166	C	C	.	.			trans	-130.3	-2	-179.8	63.5	-95.2	0	0	0	113	V790 K812 E1003 R1006 F1007	F788-V790 VanDerWaalsContact C-N 3.26Å; F788-K812 WeakPolarHBondContact O-CE 3.34Å; F788-E1003 HydrophobicContact CE2-CB 4.11Å; F788-E1003 HydrophobicContact CE2-CG 4.29Å; F788-E1003 WeakPolarHBondContact CE2-OE2 3.31Å; F788-E1003 HydrophobicContact CZ-CB 4.18Å; F788-R1006 HydrophobicContact CE1-CG 4.16Å; F788-R1006 HydrophobicContact CZ-CB 4.12Å; F788-R1006 HydrophobicContact CZ-CG 3.98Å; F788-F1007 HydrophobicContact CE1-CB 4.14Å; F788-F1007 HydrophobicContact CZ-CB 4.33Å
789	T	92.2	Very high	90	Very high	45 Å²	45	34.5 Å²	34.5	28%	0.276	18%	0.175	S	C	.	.	S	Bend	trans	-87.3	8.1	174.8	65.7	0	0	0	0	113.2	E787 Y811 K812	E787-T789 WeakPolarHBondContact OE1-CB 3.41Å; E787-T789 WeakPolarHBondContact OE1-CG2 3.27Å; E787-T789 PolarHBondContact OE1-N 3.04Å; E787-T789 PolarHBondContact OE1-OG1 3.3Å; T789-Y811 CarbonylContact O-C 3.57Å; T789-Y811 VanDerWaalsContact O-CA 3.31Å; T789-Y811 WeakPolarHBondContact O-CA 3.47Å; T789-K812 WeakPolarHBondContact O-CG 3.38Å; T789-K812 PolarHBondContact O-N 3.37Å
790	V	90	Very high	90	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.024	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-135.7	142.4	-177.1	170.9	0	0	0	0	110.3	M784 E787 F788 H792 Q809 Y811 K812	M784-V790 HydrophobicContact CE-CG1 4.5Å; M784-V790 HydrophobicContact SD-CG1 4.21Å; E787-V790 HydrophobicContact CG-CB 4.19Å; E787-V790 HydrophobicContact CG-CG2 4.11Å; F788-V790 VanDerWaalsContact C-N 3.26Å; V790-H792 WeakPolarHBondContact CG1-O 3.47Å; V790-Q809 HydrophobicContact CG2-CG 3.73Å; V790-Q809 VanDerWaalsContact CG2-NE2 3.33Å; V790-Y811 HydrophobicContact CG2-CD1 3.93Å; V790-Y811 HydrophobicContact CG2-CE1 4.24Å; V790-Y811 HydrophobicContact CG2-CG 4.49Å; V790-K812 WeakPolarHBondContact O-CE 3.36Å; V790-K812 PolarHBondContact O-NZ 3Å
791	D	80.3	Confident	90.1	Very high	80 Å²	80	34.7 Å²	34.7	43%	0.428	18%	0.177	S	C	.	.	S	Bend	trans	-98.3	-30	176	-69.8	-56.7	0	0	0	113.2	K812	D791-K812 VanDerWaalsContact CG-CE 3.46Å; D791-K812 WeakPolarHBondContact OD1-CD 3.45Å; D791-K812 WeakPolarHBondContact OD1-CE 3.3Å; D791-K812 IonicContact OD1-NZ 2.6Å; D791-K812 PolarHBondContact OD1-NZ 3.18Å; D791-K812 WeakPolarHBondContact OD2-CD 3.43Å; D791-K812 VanDerWaalsContact OD2-CG 3.3Å; D791-K812 WeakPolarHBondContact OD2-CG 3.4Å
792	H	84.3	Confident	90.2	Very high	67 Å²	67	36.1 Å²	36.1	31%	0.31	19%	0.188	S	C	.	.	S	Bend	trans	-117.2	145.1	-171.3	-59.3	-74.3	0	0	0	111.9	N631 V790	N631-H792 PolarHBondContact OD1-ND1 3.02Å; V790-H792 WeakPolarHBondContact CG1-O 3.47Å
793	P	88.6	Confident	90.4	Very high	8 Å²	8	35.6 Å²	35.6	5%	0.052	19%	0.189	C	C	.	.			trans	-61	132	178	-11	23.3	0	0	0	110.7	R634 L635 L638 M784	R634-P793 HydrophobicContact CB-CB 3.93Å; R634-P793 HydrophobicContact CB-CG 3.86Å; L635-P793 HydrophobicContact CD2-CB 3.96Å; L635-P793 HydrophobicContact CD2-CG 3.72Å; L635-P793 HydrophobicContact CG-CB 4.28Å; L635-P793 HydrophobicContact CG-CG 3.64Å; L638-P793 HydrophobicContact CD1-CB 3.57Å; L638-P793 HydrophobicContact CG-CB 4.42Å; M784-P793 HydrophobicContact CG-CB 4.23Å
794	P	91.6	Very high	90.6	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.032	19%	0.188	C	C	.	.			trans	-56.4	152.9	179.4	-26.6	33.4	0	0	0	113.5	L638 V780 R783 T807 H808 Q809	L638-P794 VanDerWaalsContact CD2-O 3.22Å; L638-P794 WeakPolarHBondContact CD2-O 3.22Å; V780-P794 HydrophobicContact CG1-CB 4.1Å; V780-P794 HydrophobicContact CG1-CG 4.18Å; R783-P794 HydrophobicContact CG-CG 4.12Å; P794-T807 HydrophobicContact CB-CG2 3.64Å; P794-H808 WeakPolarHBondContact CA-O 3.47Å; P794-H808 WeakPolarHBondContact CB-O 3.49Å; P794-Q809 HydrophobicContact CB-CB 4.38Å; P794-Q809 HydrophobicContact CG-CB 4.48Å; P794-Q809 HydrophobicContact CG-CG 4.13Å
795	A	89.7	Confident	90.8	Very high	27 Å²	27	32.5 Å²	32.5	22%	0.223	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	112.1	172.7	0	0	0	0	0	109.8	L797 T807 H808	A795-L797 HydrophobicContact CB-CD2 4.24Å; A795-L797 PolarHBondContact O-N 2.86Å; A795-T807 WeakPolarHBondContact O-CA 3.16Å; A795-H808 HydrophobicContact CB-CB 4.42Å; A795-H808 PolarHBondContact N-O 3.32Å; A795-H808 PolarHBondContact O-N 3Å
796	V	91.8	Very high	91	Very high	34 Å²	34	28.4 Å²	28.4	21%	0.206	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	113	166.5	177.1	0	0	0	0	107.6	L638 A641 V780 V799 V805 V806	L638-V796 HydrophobicContact CD2-CG2 3.81Å; A641-V796 HydrophobicContact CB-CB 3.96Å; A641-V796 HydrophobicContact CB-CG1 4.07Å; A641-V796 HydrophobicContact CB-CG2 4.13Å; V780-V796 HydrophobicContact CB-CG2 4.33Å; V780-V796 HydrophobicContact CG1-CG2 4.34Å; V780-V796 HydrophobicContact CG2-CG2 4.04Å; V796-V799 HydrophobicContact CG1-CG2 4.05Å; V796-V805 HydrophobicContact CG1-CB 4.43Å; V796-V806 CarbonylContact C-O 3.57Å
797	L	92.1	Very high	91.1	Very high	32 Å²	32	28.1 Å²	28.1	17%	0.168	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-28.8	-177.5	-57.7	-175.8	0	0	0	112.2	A795 V806 H808 L823 L919 I923	A795-L797 HydrophobicContact CB-CD2 4.24Å; A795-L797 PolarHBondContact O-N 2.86Å; L797-V806 HydrophobicContact CB-CG1 4.35Å; L797-V806 PolarHBondContact N-O 2.61Å; L797-H808 HydrophobicContact CD1-CB 4.2Å; L797-H808 HydrophobicContact CD2-CB 4.45Å; L797-H808 HydrophobicContact CG-CB 4.29Å; L797-L823 HydrophobicContact CD1-CD1 3.67Å; L797-L919 HydrophobicContact CB-CD1 3.9Å; L797-L919 HydrophobicContact CD1-CB 4.08Å; L797-I923 HydrophobicContact CD1-CG1 4.12Å
798	E	92.8	Very high	91.2	Very high	55 Å²	55	27.5 Å²	27.5	26%	0.257	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	144.4	176.9	-160	153.2	141.4	0	0	111.8	H655 V806 L919 K922	H655-E798 IonicContact NE2-OE1 2.67Å; E798-V806 HydrophobicContact CB-CB 4.34Å; E798-V806 HydrophobicContact CB-CG2 4.5Å; E798-V806 PolarHBondContact O-N 3.31Å; E798-L919 HydrophobicContact CB-CD1 3.7Å; E798-L919 WeakPolarHBondContact OE2-CD1 3.44Å; E798-K922 IonicContact OE2-NZ 3.69Å; E798-K922 PolarHBondContact OE2-NZ 2.89Å
799	V	92.8	Very high	91.3	Very high	42 Å²	42	26 Å²	26	26%	0.255	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	98.8	167.9	176.5	0	0	0	0	106.7	I645 A648 V796 G801 V805	I645-V799 HydrophobicContact CB-CG1 4.48Å; I645-V799 HydrophobicContact CG1-CG1 3.74Å; I645-V799 HydrophobicContact CG1-CG2 4.07Å; A648-V799 HydrophobicContact CB-CG1 4.25Å; V796-V799 HydrophobicContact CG1-CG2 4.05Å; V799-G801 WeakPolarHBondContact CG1-O 3.36Å; V799-V805 HydrophobicContact CG1-CG1 4.4Å; V799-V805 HydrophobicContact CG2-CG1 4.16Å
800	C	91.4	Very high	91.3	Very high	12 Å²	12	25.6 Å²	25.6	8%	0.081	14%	0.142	C	C	.	.			trans	-80.1	-22.1	-174.9	-60.8	0	0	0	0	112.7	M651 H655 T804	M651-C800 WeakPolarHBondContact CA-O 3.47Å; M651-C800 HydrophobicContact CE-CB 4.03Å; M651-C800 HydrophobicContact CG-CB 4.16Å; M651-C800 HydrophobicContact SD-CB 4.34Å; H655-C800 PolarHBondContact NE2-SG 2.94Å; H655-C800 VanDerWaalsContact NE2-SG 3.38Å; C800-T804 HydrophobicContact CB-CG2 4.05Å; C800-T804 PolarHBondContact N-O 3.26Å
801	G	90.2	Very high	91.4	Very high	2 Å²	2	27.5 Å²	27.5	2%	0.021	15%	0.149	C	C	.	.	S	Bend	trans	-166.5	-176.3	173.9	0	0	0	0	0	112.6	R649 V799 D803 T804	R649-G801 WeakPolarHBondContact O-CA 3.48Å; V799-G801 WeakPolarHBondContact CG1-O 3.36Å; G801-D803 PolarHBondContact O-N 2.95Å; G801-T804 PolarHBondContact N-O 3.09Å
802	D	91.3	Very high	92	Very high	76 Å²	76	27.9 Å²	27.9	41%	0.406	15%	0.147	S	C	.	.	S	Bend	trans	-72.8	-11.1	170.2	59	-24.8	0	0	0	112.9	A648 R649 A650 W778	A648-D802 HydrophobicContact CB-CB 4.08Å; R649-D802 PolarHBondContact O-N 3.03Å; A650-D802 WeakPolarHBondContact CA-OD1 3.35Å; A650-D802 PolarHBondContact N-OD1 3.27Å; W778-D802 VanDerWaalsContact CH2-O 3.29Å; W778-D802 WeakPolarHBondContact CH2-O 3.39Å
803	D	92.8	Very high	92.2	Very high	37 Å²	37	30 Å²	30	20%	0.198	15%	0.152	C	C	.	.	S	Bend	trans	-112.6	-11	178.5	60.6	4.9	0	0	0	114.2	W778 G801 H827 I828	W778-D803 WeakPolarHBondContact CZ2-O 3.48Å; G801-D803 PolarHBondContact O-N 2.95Å; D803-H827 CarbonylContact O-C 3.5Å; D803-H827 VanDerWaalsContact O-CA 3.29Å; D803-H827 WeakPolarHBondContact O-CA 3.5Å; D803-H827 PolarHBondContact O-ND1 3.41Å; D803-H827 IonicContact OD2-CE1 3.98Å; D803-H827 PolarHBondContact OD2-CE1 3.01Å; D803-H827 IonicContact OD2-ND1 3.4Å; D803-I828 PolarHBondContact O-N 3.41Å
804	T	94.5	Very high	92.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	127.5	-164.8	-49.9	0	0	0	0	113.6	M651 L661 C800 G801 S826 H827	M651-T804 HydrophobicContact CE-CG2 4.36Å; M651-T804 HydrophobicContact SD-CG2 3.85Å; L661-T804 HydrophobicContact CD1-CG2 3.58Å; C800-T804 HydrophobicContact CB-CG2 4.05Å; C800-T804 PolarHBondContact N-O 3.26Å; G801-T804 PolarHBondContact N-O 3.09Å; T804-S826 WeakPolarHBondContact CA-O 3.46Å; T804-H827 PolarHBondContact OG1-ND1 3.1Å
805	V	94.4	Very high	91.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.4	174.9	-63.3	0	0	0	0	112.9	I645 W778 V780 V796 V799 W825 S826	I645-V805 HydrophobicContact CD1-CG1 3.51Å; I645-V805 HydrophobicContact CG1-CG1 3.8Å; W778-V805 HydrophobicContact CZ2-CG1 4.17Å; W778-V805 HydrophobicContact CZ2-CG2 4.43Å; V780-V805 HydrophobicContact CG2-CG2 4.42Å; V796-V805 HydrophobicContact CG1-CB 4.43Å; V799-V805 HydrophobicContact CG1-CG1 4.4Å; V799-V805 HydrophobicContact CG2-CG1 4.16Å; V805-W825 CarbonylContact O-C 3.55Å; V805-W825 WeakPolarHBondContact O-CA 3.36Å; V805-S826 PolarHBondContact N-O 3.47Å; V805-S826 PolarHBondContact O-N 2.85Å
806	V	95.4	Very high	91.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.7	171.2	-179.1	0	0	0	0	108.9	L657 V796 L797 E798 L823 W825 Y918 L919	L657-V806 HydrophobicContact CD1-CG2 3.96Å; V796-V806 CarbonylContact C-O 3.57Å; L797-V806 HydrophobicContact CB-CG1 4.35Å; L797-V806 PolarHBondContact N-O 2.61Å; E798-V806 HydrophobicContact CB-CB 4.34Å; E798-V806 HydrophobicContact CB-CG2 4.5Å; E798-V806 PolarHBondContact O-N 3.31Å; V806-L823 HydrophobicContact CG1-CD1 3.81Å; V806-W825 HydrophobicContact CG2-CB 4.35Å; V806-Y918 HydrophobicContact CG2-CD1 4.13Å; V806-Y918 HydrophobicContact CG2-CE1 4.46Å; V806-L919 HydrophobicContact CG1-CD1 4.27Å
807	T	94.2	Very high	91.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138	-172.8	-56.1	0	0	0	0	111.7	P794 A795 F824	P794-T807 HydrophobicContact CB-CG2 3.64Å; A795-T807 WeakPolarHBondContact O-CA 3.16Å; T807-F824 HydrophobicContact CG2-CE1 4.38Å; T807-F824 HydrophobicContact CG2-CZ 4.22Å; T807-F824 PolarHBondContact N-O 2.64Å; T807-F824 PolarHBondContact O-N 3.49Å
808	H	94.3	Very high	91.3	Very high	15 Å²	15	45.3 Å²	45.3	7%	0.069	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.3	165.8	175.8	-107.1	0	0	0	110.3	P794 A795 L797 D821 S822	P794-H808 WeakPolarHBondContact CA-O 3.47Å; P794-H808 WeakPolarHBondContact CB-O 3.49Å; A795-H808 HydrophobicContact CB-CB 4.42Å; A795-H808 PolarHBondContact N-O 3.32Å; A795-H808 PolarHBondContact O-N 3Å; L797-H808 HydrophobicContact CD1-CB 4.2Å; L797-H808 HydrophobicContact CD2-CB 4.45Å; L797-H808 HydrophobicContact CG-CB 4.29Å; H808-D821 IonicContact CD2-OD2 2.71Å; H808-D821 IonicContact CE1-OD2 2.84Å; H808-D821 IonicContact NE2-OD2 3.14Å; H808-D821 PolarHBondContact NE2-OD2 2.84Å; H808-S822 VanDerWaalsContact CA-O 3.31Å; H808-S822 WeakPolarHBondContact CA-O 3.43Å; H808-S822 PolarHBondContact CD2-O 3.23Å
809	Q	92.8	Very high	91.2	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.023	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	130.1	-172.9	-177	169.1	-40.3	0	0	110.4	R783 V790 P794 Y811 D821 S822 F824	R783-Q809 VanDerWaalsContact NH1-OE1 3.14Å; V790-Q809 HydrophobicContact CG2-CG 3.73Å; V790-Q809 VanDerWaalsContact CG2-NE2 3.33Å; P794-Q809 HydrophobicContact CB-CB 4.38Å; P794-Q809 HydrophobicContact CG-CB 4.48Å; P794-Q809 HydrophobicContact CG-CG 4.13Å; Q809-Y811 HydrophobicContact CG-CE1 4.46Å; Q809-Y811 HydrophobicContact CG-CE2 4.35Å; Q809-D821 CarbonylContact O-C 3.54Å; Q809-D821 VanDerWaalsContact O-CA 3.32Å; Q809-D821 WeakPolarHBondContact O-CA 3.28Å; Q809-S822 PolarHBondContact N-O 2.93Å; Q809-S822 PolarHBondContact O-N 3.25Å; Q809-F824 HydrophobicContact CB-CE1 4.14Å
810	V	92.2	Very high	91.3	Very high	37 Å²	37	43.3 Å²	43.3	22%	0.224	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.6	-179.6	-175	0	0	0	0	109.8	Q819 D821 T930	V810-Q819 HydrophobicContact CG1-CG 4.2Å; V810-D821 HydrophobicContact CB-CB 4.49Å; V810-D821 HydrophobicContact CG2-CB 4.03Å; V810-T930 HydrophobicContact CG1-CG2 4.43Å
811	Y	92.8	Very high	91.5	Very high	43 Å²	43	42.9 Å²	42.9	17%	0.169	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-95.9	160.8	-173.6	-60.4	-93.8	0	0	0	112.2	T789 V790 Q809 Q819 R820 S822 L933	T789-Y811 CarbonylContact O-C 3.57Å; T789-Y811 VanDerWaalsContact O-CA 3.31Å; T789-Y811 WeakPolarHBondContact O-CA 3.47Å; V790-Y811 HydrophobicContact CG2-CD1 3.93Å; V790-Y811 HydrophobicContact CG2-CE1 4.24Å; V790-Y811 HydrophobicContact CG2-CG 4.49Å; Q809-Y811 HydrophobicContact CG-CE1 4.46Å; Q809-Y811 HydrophobicContact CG-CE2 4.35Å; Y811-Q819 VanDerWaalsContact O-CG 3.24Å; Y811-Q819 WeakPolarHBondContact O-CG 3.41Å; Y811-Q819 PolarHBondContact O-NE2 3.34Å; Y811-R820 PolarHBondContact N-O 3.06Å; Y811-S822 WeakPolarHBondContact CE2-OG 3.5Å; Y811-S822 PolarHBondContact OH-OG 2.65Å; Y811-S822 VanDerWaalsContact OH-OG 3.08Å; Y811-L933 HydrophobicContact CD2-CD2 3.74Å; Y811-L933 HydrophobicContact CE2-CD1 4.33Å; Y811-L933 HydrophobicContact CE2-CD2 3.7Å
812	K	91.6	Very high	91.7	Very high	88 Å²	88	42.8 Å²	42.8	38%	0.383	20%	0.203	S	C	.	.			trans	-62.9	140.6	175.6	-50	-155.3	-179.3	-157.2	0	110.6	F788 T789 V790 D791 V814	F788-K812 WeakPolarHBondContact O-CE 3.34Å; T789-K812 WeakPolarHBondContact O-CG 3.38Å; T789-K812 PolarHBondContact O-N 3.37Å; V790-K812 WeakPolarHBondContact O-CE 3.36Å; V790-K812 PolarHBondContact O-NZ 3Å; D791-K812 VanDerWaalsContact CG-CE 3.46Å; D791-K812 WeakPolarHBondContact OD1-CD 3.45Å; D791-K812 WeakPolarHBondContact OD1-CE 3.3Å; D791-K812 IonicContact OD1-NZ 2.6Å; D791-K812 PolarHBondContact OD1-NZ 3.18Å; D791-K812 WeakPolarHBondContact OD2-CD 3.43Å; D791-K812 VanDerWaalsContact OD2-CG 3.3Å; D791-K812 WeakPolarHBondContact OD2-CG 3.4Å; K812-V814 PolarHBondContact O-N 2.94Å
813	R	89.8	Confident	91.9	Very high	112 Å²	112	39.2 Å²	39.2	42%	0.423	18%	0.184	S	C	.	.			trans	-71.4	114.9	-177	-175.2	178.1	-69.3	-103.2	-2.2	111.2	W815 T817 Q819 S928 P929	R813-W815 PolarHBondContact O-N 2.8Å; R813-T817 WeakPolarHBondContact CG-O 3.41Å; R813-Q819 HydrophobicContact CB-CB 4.21Å; R813-Q819 HydrophobicContact CB-CG 4.3Å; R813-Q819 HydrophobicContact CG-CB 4.29Å; R813-S928 PolarHBondContact NH2-OG 3.02Å; R813-P929 PolarHBondContact NH2-O 2.87Å
814	V	88.1	Confident	92.1	Very high	64 Å²	64	37.6 Å²	37.6	39%	0.388	18%	0.175	S	C	.	.			trans	-86.2	98.4	174.4	-177.7	0	0	0	0	109.3	K812 T817 L999	K812-V814 PolarHBondContact O-N 2.94Å; V814-T817 WeakPolarHBondContact O-CA 3.45Å; V814-T817 WeakPolarHBondContact O-CB 3.35Å; V814-T817 PolarHBondContact O-N 3.25Å; V814-T817 PolarHBondContact O-OG1 2.92Å; V814-L999 HydrophobicContact CG1-CD2 4.07Å; V814-L999 HydrophobicContact CG2-CD2 3.65Å
815	W	81.3	Confident	92.2	Very high	224 Å²	224	37.6 Å²	37.6	85%	0.848	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	138.7	175.5	-169.2	94	0	0	0	111	R813	R813-W815 PolarHBondContact O-N 2.8Å
816	P	86.1	Confident	92.3	Very high	76 Å²	76	37.7 Å²	37.7	49%	0.494	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89	14.3	8.7	37	-38	0	0	0	115	P992	P816-P992 HydrophobicContact CG-CG 4.23Å
817	T	87.6	Confident	92.4	Very high	14 Å²	14	38.3 Å²	38.3	9%	0.086	18%	0.179	C	C	.	.	S	Bend	trans	-91.8	159.8	-167.7	77.2	0	0	0	0	114.3	R813 V814 R820 V991	R813-T817 WeakPolarHBondContact CG-O 3.41Å; V814-T817 WeakPolarHBondContact O-CA 3.45Å; V814-T817 WeakPolarHBondContact O-CB 3.35Å; V814-T817 PolarHBondContact O-N 3.25Å; V814-T817 PolarHBondContact O-OG1 2.92Å; T817-R820 PolarHBondContact OG1-NH1 3.49Å; T817-V991 HydrophobicContact CG2-CB 4.45Å; T817-V991 HydrophobicContact CG2-CG1 4.16Å; T817-V991 HydrophobicContact CG2-CG2 4.41Å
818	T	90	Very high	92.4	Very high	50 Å²	50	39.1 Å²	39.1	31%	0.307	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-58.9	144.6	169.3	-46.3	0	0	0	0	111	R820 P929 I931	T818-R820 VanDerWaalsContact O-CD 3.26Å; T818-R820 WeakPolarHBondContact O-CD 3.37Å; T818-R820 PolarHBondContact O-NH1 3.21Å; T818-P929 HydrophobicContact CG2-CB 4.4Å; T818-P929 WeakPolarHBondContact CG2-O 3.48Å; T818-I931 HydrophobicContact CG2-CD1 4.11Å; T818-I931 HydrophobicContact CG2-CG1 3.92Å
819	Q	92.4	Very high	92.4	Very high	30 Å²	30	39 Å²	39	14%	0.14	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	151.2	176.5	-168.8	162.4	8.6	0	0	111.2	V810 Y811 R813 S928 T930 I931	V810-Q819 HydrophobicContact CG1-CG 4.2Å; Y811-Q819 VanDerWaalsContact O-CG 3.24Å; Y811-Q819 WeakPolarHBondContact O-CG 3.41Å; Y811-Q819 PolarHBondContact O-NE2 3.34Å; R813-Q819 HydrophobicContact CB-CB 4.21Å; R813-Q819 HydrophobicContact CB-CG 4.3Å; R813-Q819 HydrophobicContact CG-CB 4.29Å; Q819-S928 PolarHBondContact OE1-OG 2.93Å; Q819-T930 HydrophobicContact CB-CG2 4.46Å; Q819-T930 HydrophobicContact CG-CG2 4.5Å; Q819-T930 CarbonylContact O-C 3.57Å; Q819-T930 VanDerWaalsContact O-CA 3.3Å; Q819-T930 WeakPolarHBondContact O-CA 3.36Å; Q819-I931 PolarHBondContact O-N 3.38Å
820	R	93.8	Very high	92.3	Very high	24 Å²	24	42 Å²	42	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	143.2	-172.9	-105.7	64.6	178.5	-162.1	-2.5	110.6	Y811 T817 T818 I931 L933 P987 G989 W990 V991	Y811-R820 PolarHBondContact N-O 3.06Å; T817-R820 PolarHBondContact OG1-NH1 3.49Å; T818-R820 VanDerWaalsContact O-CD 3.26Å; T818-R820 WeakPolarHBondContact O-CD 3.37Å; T818-R820 PolarHBondContact O-NH1 3.21Å; R820-I931 VanDerWaalsContact CA-O 3.32Å; R820-I931 WeakPolarHBondContact CA-O 3.39Å; R820-L933 HydrophobicContact CB-CD2 3.6Å; R820-L933 HydrophobicContact CG-CB 4.47Å; R820-L933 HydrophobicContact CG-CD2 3.86Å; R820-P987 PolarHBondContact NE-O 2.84Å; R820-P987 PolarHBondContact NH2-O 3.39Å; R820-G989 PolarHBondContact NH2-O 3.43Å; R820-W990 PolarHBondContact NH2-O 3.47Å; R820-V991 VanDerWaalsContact NH2-CG2 3.32Å
821	D	95	Very high	92	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	156.4	172.2	80.3	-21.3	0	0	0	111.7	H808 Q809 V810 T930 I931 R932 L933	H808-D821 IonicContact CD2-OD2 2.71Å; H808-D821 IonicContact CE1-OD2 2.84Å; H808-D821 IonicContact NE2-OD2 3.14Å; H808-D821 PolarHBondContact NE2-OD2 2.84Å; Q809-D821 CarbonylContact O-C 3.54Å; Q809-D821 VanDerWaalsContact O-CA 3.32Å; Q809-D821 WeakPolarHBondContact O-CA 3.28Å; V810-D821 HydrophobicContact CB-CB 4.49Å; V810-D821 HydrophobicContact CG2-CB 4.03Å; D821-T930 HydrophobicContact CB-CG2 4.39Å; D821-I931 PolarHBondContact N-O 2.65Å; D821-R932 VanDerWaalsContact CG-NH2 3.35Å; D821-R932 WeakPolarHBondContact O-CA 3.48Å; D821-R932 WeakPolarHBondContact O-CD 3.41Å; D821-R932 WeakPolarHBondContact OD1-CA 3.48Å; D821-R932 IonicContact OD1-CZ 3.59Å; D821-R932 IonicContact OD1-NE 3.12Å; D821-R932 PolarHBondContact OD1-NE 3.04Å; D821-R932 IonicContact OD1-NH2 3.51Å; D821-R932 PolarHBondContact OD1-NH2 3.47Å; D821-R932 IonicContact OD2-CZ 3.77Å; D821-R932 IonicContact OD2-NE 2.78Å; D821-R932 IonicContact OD2-NH2 2.72Å; D821-R932 PolarHBondContact OD2-NH2 3.03Å; D821-L933 VanDerWaalsContact C-CD2 3.48Å; D821-L933 WeakPolarHBondContact O-CD2 3.41Å; D821-L933 WeakPolarHBondContact O-CG 3.38Å; D821-L933 PolarHBondContact O-N 3.04Å
822	S	95.2	Very high	90.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	145.5	176.1	63.4	0	0	0	0	111	H808 Q809 Y811 F824	H808-S822 VanDerWaalsContact CA-O 3.31Å; H808-S822 WeakPolarHBondContact CA-O 3.43Å; H808-S822 PolarHBondContact CD2-O 3.23Å; Q809-S822 PolarHBondContact N-O 2.93Å; Q809-S822 PolarHBondContact O-N 3.25Å; Y811-S822 WeakPolarHBondContact CE2-OG 3.5Å; Y811-S822 PolarHBondContact OH-OG 2.65Å; Y811-S822 VanDerWaalsContact OH-OG 3.08Å; S822-F824 WeakPolarHBondContact OG-CD1 3.31Å; S822-F824 WeakPolarHBondContact OG-CE1 3.39Å
823	L	96.1	Very high	89.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.7	163.3	171.1	63.1	0	0	0	106.1	L797 V806 S915 T916 Y918 I923	L797-L823 HydrophobicContact CD1-CD1 3.67Å; V806-L823 HydrophobicContact CG1-CD1 3.81Å; L823-S915 VanDerWaalsContact O-CA 3.31Å; L823-S915 WeakPolarHBondContact O-CA 3.42Å; L823-S915 PolarHBondContact O-OG 3.35Å; L823-T916 WeakPolarHBondContact CD2-O 3.48Å; L823-T916 HydrophobicContact CG-CG2 4.23Å; L823-T916 VanDerWaalsContact CG-O 3.27Å; L823-T916 WeakPolarHBondContact CG-O 3.31Å; L823-T916 PolarHBondContact O-N 2.89Å; L823-T916 VanDerWaalsContact O-N 3.1Å; L823-Y918 WeakPolarHBondContact CD2-O 3.49Å; L823-I923 HydrophobicContact CB-CD1 4.18Å; L823-I923 HydrophobicContact CD2-CD1 3.98Å; L823-I923 HydrophobicContact CG-CD1 4.49Å
824	F	97.2	Very high	86.9	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	151	-176.6	61.7	-81.3	0	0	0	111.4	T807 Q809 S822 N913 M914 L935	T807-F824 HydrophobicContact CG2-CE1 4.38Å; T807-F824 HydrophobicContact CG2-CZ 4.22Å; T807-F824 PolarHBondContact N-O 2.64Å; T807-F824 PolarHBondContact O-N 3.49Å; Q809-F824 HydrophobicContact CB-CE1 4.14Å; S822-F824 WeakPolarHBondContact OG-CD1 3.31Å; S822-F824 WeakPolarHBondContact OG-CE1 3.39Å; F824-N913 HydrophobicContact CD2-CB 3.78Å; F824-N913 HydrophobicContact CE2-CB 4.05Å; F824-M914 CarbonylContact C-O 3.56Å; F824-M914 WeakPolarHBondContact CA-O 3.46Å; F824-M914 WeakPolarHBondContact CB-O 3.32Å; F824-L935 HydrophobicContact CB-CD1 4Å; F824-L935 HydrophobicContact CB-CD2 4.5Å; F824-L935 HydrophobicContact CB-CG 4.38Å; F824-L935 HydrophobicContact CD1-CD2 3.96Å; F824-L935 HydrophobicContact CD2-CD1 4.43Å; F824-L935 HydrophobicContact CE1-CD2 4.43Å; F824-L935 HydrophobicContact CG-CD1 4.13Å; F824-L935 HydrophobicContact CG-CD2 4.3Å
825	W	96.5	Very high	84.4	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	148	159.8	57.3	-102.9	0	0	0	109.6	L657 E660 L661 V664 V805 V806 H827 V912 N913 M914	L657-W825 HydrophobicContact CD1-CB 4.08Å; L657-W825 HydrophobicContact CD1-CG 4.22Å; E660-W825 PolarHBondContact OE1-NE1 3.19Å; L661-W825 HydrophobicContact CB-CH2 4.09Å; L661-W825 HydrophobicContact CB-CZ2 4.06Å; L661-W825 HydrophobicContact CB-CZ3 4.39Å; L661-W825 HydrophobicContact CD1-CD2 4.32Å; L661-W825 HydrophobicContact CD1-CE3 3.91Å; L661-W825 HydrophobicContact CD1-CZ3 4.07Å; L661-W825 HydrophobicContact CG-CE3 4.17Å; L661-W825 HydrophobicContact CG-CH2 3.95Å; L661-W825 HydrophobicContact CG-CZ2 4.39Å; L661-W825 HydrophobicContact CG-CZ3 3.83Å; V664-W825 HydrophobicContact CB-CH2 4Å; V664-W825 HydrophobicContact CB-CZ2 4.13Å; V664-W825 HydrophobicContact CG1-CH2 3.79Å; V664-W825 HydrophobicContact CG1-CZ2 4.16Å; V664-W825 HydrophobicContact CG2-CZ2 4.4Å; V805-W825 CarbonylContact O-C 3.55Å; V805-W825 WeakPolarHBondContact O-CA 3.36Å; V806-W825 HydrophobicContact CG2-CB 4.35Å; W825-H827 HydrophobicContact CE3-CB 4.04Å; W825-H827 HydrophobicContact CZ3-CB 3.91Å; W825-V912 HydrophobicContact CH2-CG1 3.8Å; W825-V912 HydrophobicContact CZ3-CB 4.11Å; W825-V912 HydrophobicContact CZ3-CG1 3.73Å; W825-N913 WeakPolarHBondContact O-CA 3.45Å; W825-M914 HydrophobicContact CD2-CB 4.11Å; W825-M914 HydrophobicContact CE3-CB 4.4Å; W825-M914 HydrophobicContact CH2-CB 3.86Å; W825-M914 HydrophobicContact CZ2-CB 3.51Å; W825-M914 HydrophobicContact CZ2-CG 3.9Å; W825-M914 HydrophobicContact CZ3-CB 4.29Å; W825-M914 PolarHBondContact N-O 3.46Å; W825-M914 PolarHBondContact O-N 3.08Å
826	S	96.5	Very high	81.9	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	116.7	-177	-172.2	0	0	0	0	108.8	W778 T804 V805 V912 N913	W778-S826 PolarHBondContact NE1-O 3.13Å; T804-S826 WeakPolarHBondContact CA-O 3.46Å; V805-S826 PolarHBondContact N-O 3.47Å; V805-S826 PolarHBondContact O-N 2.85Å; S826-V912 WeakPolarHBondContact CA-O 3.5Å; S826-N913 WeakPolarHBondContact CB-OD1 3.47Å; S826-N913 PolarHBondContact OG-OD1 2.99Å
827	H	95.8	Very high	79	Confident	14 Å²	14	45.9 Å²	45.9	7%	0.065	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.3	-173.2	178.6	76.8	0	0	0	111.3	L661 D803 T804 W825 V911 V912	L661-H827 HydrophobicContact CD1-CB 3.92Å; L661-H827 HydrophobicContact CG-CB 4.36Å; D803-H827 CarbonylContact O-C 3.5Å; D803-H827 VanDerWaalsContact O-CA 3.29Å; D803-H827 WeakPolarHBondContact O-CA 3.5Å; D803-H827 PolarHBondContact O-ND1 3.41Å; D803-H827 IonicContact OD2-CE1 3.98Å; D803-H827 PolarHBondContact OD2-CE1 3.01Å; D803-H827 IonicContact OD2-ND1 3.4Å; T804-H827 PolarHBondContact OG1-ND1 3.1Å; W825-H827 HydrophobicContact CE3-CB 4.04Å; W825-H827 HydrophobicContact CZ3-CB 3.91Å; H827-V911 CarbonylContact O-C 3.57Å; H827-V911 VanDerWaalsContact O-CA 3.3Å; H827-V911 WeakPolarHBondContact O-CA 3.43Å; H827-V912 PolarHBondContact N-O 3.44Å; H827-V912 PolarHBondContact O-N 3.41Å
828	I	95.2	Very high	76.2	Confident	16 Å²	16	51.6 Å²	51.6	8%	0.082	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128.1	176	-175.8	168.9	0	0	0	111	C774 W778 D803 W909 M910 V911	C774-I828 HydrophobicContact CB-CD1 3.89Å; C774-I828 HydrophobicContact CB-CG1 4.37Å; W778-I828 HydrophobicContact CB-CB 4.3Å; W778-I828 HydrophobicContact CB-CD1 4.21Å; W778-I828 HydrophobicContact CD2-CB 3.98Å; W778-I828 HydrophobicContact CD2-CG2 3.49Å; W778-I828 VanDerWaalsContact CD2-CG2 3.49Å; W778-I828 HydrophobicContact CE3-CG2 3.71Å; W778-I828 HydrophobicContact CG-CB 3.84Å; W778-I828 HydrophobicContact CG-CG2 3.94Å; W778-I828 HydrophobicContact CH2-CG2 4.14Å; W778-I828 HydrophobicContact CZ2-CG2 3.99Å; W778-I828 HydrophobicContact CZ3-CG2 4.01Å; D803-I828 PolarHBondContact O-N 3.41Å; I828-W909 HydrophobicContact CD1-CE3 4.43Å; I828-W909 HydrophobicContact CG1-CE3 4.04Å; I828-W909 HydrophobicContact CG1-CZ3 4.27Å; I828-M910 WeakPolarHBondContact CA-O 3.39Å; I828-V911 HydrophobicContact CB-CG2 4.24Å; I828-V911 HydrophobicContact CD1-CG2 4.19Å; I828-V911 HydrophobicContact CG1-CG2 4.02Å
829	C	93.3	Very high	73.3	Confident	12 Å²	12	54.4 Å²	54.4	8%	0.081	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	149.3	-179.2	58	0	0	0	0	113.5	M910	C829-M910 PolarHBondContact N-O 3.04Å; C829-M910 PolarHBondContact O-N 3.05Å
830	P	91.7	Very high	70.3	Confident	69 Å²	69	58.9 Å²	58.9	45%	0.448	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	146.2	167.2	30.8	-33	0	0	0	110.5	W909	P830-W909 HydrophobicContact CB-CD2 4.24Å; P830-W909 HydrophobicContact CB-CE3 4.26Å; P830-W909 HydrophobicContact CB-CH2 3.8Å; P830-W909 HydrophobicContact CB-CZ2 3.78Å; P830-W909 HydrophobicContact CB-CZ3 4.06Å; P830-W909 HydrophobicContact CG-CH2 4.11Å; P830-W909 HydrophobicContact CG-CZ3 4.34Å
831	V	86.4	Confident	67.2	Low	8 Å²	8	66.5 Å²	66.5	5%	0.048	38%	0.377	C	S	.	.			trans	-121.9	100.7	176	-176.8	0	0	0	0	108.2	M669 P833 G908 M910 Y940	M669-V831 HydrophobicContact CE-CG1 4.31Å; M669-V831 HydrophobicContact CE-CG2 4.32Å; M669-V831 HydrophobicContact CG-CG2 4.33Å; V831-P833 VanDerWaalsContact O-CD 3.3Å; V831-P833 WeakPolarHBondContact O-CD 3.45Å; V831-G908 PolarHBondContact N-O 2.84Å; V831-M910 HydrophobicContact CG2-CB 3.72Å; V831-Y940 HydrophobicContact CB-CE2 3.87Å; V831-Y940 HydrophobicContact CG1-CE2 3.89Å; V831-Y940 HydrophobicContact CG2-CD2 4.33Å; V831-Y940 HydrophobicContact CG2-CE2 3.93Å
832	N	69.6	Low	64	Low	122 Å²	122	73.8 Å²	73.8	65%	0.652	41%	0.414	S	S	*	.			trans	-56.6	118.3	-178.1	-74.3	-20.9	0	0	0	111.4
833	P	54.8	Low	60.9	Low	56 Å²	56	79.3 Å²	79.3	36%	0.364	45%	0.448	S	S	.	.	S	Bend	trans	-63.9	138.6	163.7	27.9	-32.2	0	0	0	109.3	V831 I905	V831-P833 VanDerWaalsContact O-CD 3.3Å; V831-P833 WeakPolarHBondContact O-CD 3.45Å; P833-I905 HydrophobicContact CB-CG2 4.11Å; P833-I905 HydrophobicContact CG-CG2 4.44Å
834	V	41.8	Very low	57.7	Low	121 Å²	121	87.9 Å²	87.9	73%	0.733	49%	0.488	S	S	*	.	S	Bend	trans	71	58.3	173.9	-157.3	0	0	0	0	116.5
835	Q	35.7	Very low	54.5	Low	170 Å²	170	98 Å²	98	79%	0.794	53%	0.526	S	S	*	.			trans	-139.6	61.4	151.7	-74.5	-158	18	0	0	113.3
836	T	28.1	Very low	51.3	Low	94 Å²	94	103.7 Å²	103.7	58%	0.577	57%	0.566	S	S	*	*			trans	-135	62.4	174.5	43.9	0	0	0	0	113.1	A673	A673-T836 HydrophobicContact CB-CG2 3.78Å
837	N	26.3	Very low	48.4	Very low	155 Å²	155	107.3 Å²	107.3	83%	0.829	59%	0.591	S	S	*	*	S	Bend	trans	-148.9	155.3	160.2	-99.7	-58.9	0	0	0	110.9
838	T	28.9	Very low	45.4	Very low	133 Å²	133	114.6 Å²	114.6	82%	0.816	63%	0.629	S	S	*	*			trans	52.7	81.1	179.9	56.5	0	0	0	0	116.7
839	S	28.2	Very low	42.5	Very low	109 Å²	109	118.7 Å²	118.7	76%	0.762	66%	0.659	S	S	*	*			trans	-60.9	137.9	145.6	-43.2	0	0	0	0	109.1	K841	S839-K841 PolarHBondContact O-N 3.03Å; S839-K841 VanDerWaalsContact O-N 3.12Å
840	P	29.5	Very low	39.7	Very low	124 Å²	124	122.6 Å²	122.6	81%	0.805	69%	0.686	S	S	*	*			trans	-67.4	112.2	172.1	27.5	-32.7	0	0	0	109.3	L842	P840-L842 PolarHBondContact O-N 3.31Å; P840-L842 VanDerWaalsContact O-N 3.09Å
841	K	29	Very low	37	Very low	185 Å²	185	126.5 Å²	126.5	80%	0.804	70%	0.703	S	S	*	*			trans	-68.5	107.4	173.1	-79	-170	174	-174.2	0	109.4	S839 T843	S839-K841 PolarHBondContact O-N 3.03Å; S839-K841 VanDerWaalsContact O-N 3.12Å; K841-T843 HydrophobicContact CB-CG2 4.21Å; K841-T843 PolarHBondContact O-N 3.03Å
842	L	27.3	Very low	34.7	Very low	156 Å²	156	131.8 Å²	131.8	82%	0.817	74%	0.741	S	S	*	*			trans	-65.3	86.5	161.3	-89.8	162.1	0	0	0	109	P840 H844	P840-L842 PolarHBondContact O-N 3.31Å; P840-L842 VanDerWaalsContact O-N 3.09Å; L842-H844 VanDerWaalsContact C-N 3.33Å; L842-H844 PolarHBondContact O-N 3.47Å
843	T	29.9	Very low	33.1	Very low	116 Å²	116	133.8 Å²	133.8	71%	0.712	75%	0.746	S	S	*	*			trans	-74.9	84.8	176.7	52.1	0	0	0	0	110.3	K841 R845	K841-T843 HydrophobicContact CB-CG2 4.21Å; K841-T843 PolarHBondContact O-N 3.03Å; T843-R845 PolarHBondContact O-N 3.21Å
844	H	29.5	Very low	32.3	Very low	181 Å²	181	137.8 Å²	137.8	84%	0.838	76%	0.76	S	S	*	*			trans	-59	106.2	158.5	-93.5	-97.7	0	0	0	108.7	L842	L842-H844 VanDerWaalsContact C-N 3.33Å; L842-H844 PolarHBondContact O-N 3.47Å
845	R	30.8	Very low	32.1	Very low	217 Å²	217	137.8 Å²	137.8	82%	0.819	76%	0.756	S	S	*	*			trans	-118.5	88.5	167.8	-168	-179.6	-172.8	-148.1	-1.1	109.4	T843 S847	T843-R845 PolarHBondContact O-N 3.21Å; R845-S847 PolarHBondContact O-N 3.46Å
846	S	30	Very low	32.2	Very low	118 Å²	118	135.4 Å²	135.4	83%	0.825	75%	0.747	S	S	*	*			trans	-73.4	116.7	169.2	36.5	0	0	0	0	110.3
847	S	35.2	Very low	32.7	Very low	77 Å²	77	138.1 Å²	138.1	54%	0.538	75%	0.753	S	S	.	*			trans	-157.8	90.2	166.6	59.4	0	0	0	0	112.8	R845	R845-S847 PolarHBondContact O-N 3.46Å
848	I	32.7	Very low	33.2	Very low	168 Å²	168	137.6 Å²	137.6	86%	0.862	75%	0.746	S	S	*	*			trans	53.9	107.8	137	-53.4	157.5	0	0	0	118
849	S	33.7	Very low	33.4	Very low	102 Å²	102	137.3 Å²	137.3	71%	0.713	74%	0.739	S	S	*	*				174	130.1	109.8	60.7	0	0	0	0	114.9
850	S	35.5	Very low	33.7	Very low	93 Å²	93	140.5 Å²	140.5	65%	0.65	74%	0.739	S	S	*	*			trans	47.8	116.6	147.1	58.9	0	0	0	0	123
851	D	34.1	Very low	34	Very low	151 Å²	151	140.6 Å²	140.6	81%	0.807	74%	0.737	S	S	*	*				61.1	111.4	127.8	-48.6	-29.9	0	0	0	123
852	S	37.4	Very low	34.2	Very low	120 Å²	120	139 Å²	139	84%	0.839	73%	0.732	S	S	*	*				-177.7	94.5	103.3	34	0	0	0	0	115.1
853	Q	36.5	Very low	34.7	Very low	163 Å²	163	138.8 Å²	138.8	76%	0.762	73%	0.727	S	S	*	*			trans	33.4	143.7	136.5	-111.4	168.7	-40.6	0	0	125.4
854	H	38.7	Very low	34.8	Very low	140 Å²	140	143.4 Å²	143.4	65%	0.648	73%	0.731	S	S	*	*			trans	72.4	147.9	154.5	-64.1	-58.4	0	0	0	118.9
855	D	37.9	Very low	35	Very low	122 Å²	122	139.8 Å²	139.8	65%	0.652	73%	0.727	S	S	*	*			cis	-171	168	-13.3	-107.6	8	0	0	0	109.5
856	I	37	Very low	35.1	Very low	119 Å²	119	134.3 Å²	134.3	61%	0.61	73%	0.727	S	S	*	*			cis	-171	140.3	-29.2	-170.4	162.4	0	0	0	111.7
857	H	38	Very low	35.3	Very low	151 Å²	151	133.8 Å²	133.8	70%	0.699	72%	0.724	S	S	*	*			trans	62.3	174	161.7	-78.1	25.5	0	0	0	118.6
858	Q	38.4	Very low	35.3	Very low	145 Å²	145	138.9 Å²	138.9	68%	0.678	74%	0.741	S	S	*	*			cis	-155.6	141.3	-43.6	-100.3	-170.1	37.7	0	0	105.6
859	N	31.5	Very low	35.3	Very low	126 Å²	126	134.3 Å²	134.3	67%	0.674	74%	0.736	S	S	*	*				92.2	117.7	52.9	-158.1	6.1	0	0	0	114.8
860	K	34.3	Very low	35.3	Very low	176 Å²	176	135.6 Å²	135.6	77%	0.765	74%	0.74	S	S	*	*			trans	66.4	161.2	173.5	-71.8	170	179.4	177.2	0	116.5
861	V	36.1	Very low	34.9	Very low	126 Å²	126	136.5 Å²	136.5	76%	0.764	75%	0.746	S	S	*	*			cis	-134.5	173.8	25	177.4	0	0	0	0	112.8
862	H	34.3	Very low	35	Very low	151 Å²	151	137.7 Å²	137.7	70%	0.699	75%	0.751	S	S	*	*			trans	-55.3	-178.5	176.2	-40.1	-54	0	0	0	115.9
863	Q	36.8	Very low	34.6	Very low	153 Å²	153	138.3 Å²	138.3	72%	0.715	75%	0.75	S	S	*	*			cis	-169.2	148.3	32.9	-146.1	178.9	72.4	0	0	115.9
864	R	31.5	Very low	34.5	Very low	212 Å²	212	136.5 Å²	136.5	80%	0.8	76%	0.756	S	S	*	*			trans	58.7	123.6	144.2	-89.9	174.4	-178.5	-173.1	-1.8	124.7
865	S	33.6	Very low	34	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	76%	0.761	S	S	*	*				100	111.2	123.5	-65.4	0	0	0	0	123.2
866	A	33.5	Very low	33.6	Very low	101 Å²	101	139.7 Å²	139.7	84%	0.835	76%	0.764	S	S	*	*			trans	49.4	132.4	136	0	0	0	0	0	120.8
867	S	35.3	Very low	33.3	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	77%	0.773	S	S	*	*				178.5	151.6	63.6	-170	0	0	0	0	113
868	M	33.9	Very low	32.7	Very low	184 Å²	184	137.5 Å²	137.5	91%	0.906	78%	0.776	S	S	*	*			trans	35.7	128.3	148.9	-62.9	-87.6	-82.2	0	0	121.8
869	G	33.1	Very low	32.3	Very low	72 Å²	72	140.8 Å²	140.8	74%	0.742	78%	0.784	S	S	*	*			trans	174.2	60.7	167.7	0	0	0	0	0	119.8
870	T	33.1	Very low	32.1	Very low	130 Å²	130	139.9 Å²	139.9	80%	0.798	79%	0.787	S	S	*	*			trans	17	121.8	156.8	52.9	0	0	0	0	122.6
871	S	28.8	Very low	31.9	Very low	112 Å²	112	140.1 Å²	140.1	78%	0.783	79%	0.791	S	S	*	*			trans	54.8	123.5	138.2	65	0	0	0	0	122.2
872	L	35.1	Very low	31.3	Very low	176 Å²	176	139 Å²	139	92%	0.921	79%	0.789	S	S	*	*			trans	-143.8	154.8	142.8	-110	171	0	0	0	110.1
873	T	28.4	Very low	31.5	Very low	133 Å²	133	137 Å²	137	82%	0.816	79%	0.79	S	S	*	*			trans	-116	131.6	-174.2	52.7	0	0	0	0	112.1
874	S	34.6	Very low	30.9	Very low	125 Å²	125	137.2 Å²	137.2	87%	0.874	80%	0.796	S	S	*	*			trans	-155.1	162.7	163.7	47.3	0	0	0	0	110.8
875	K	28.8	Very low	31	Very low	176 Å²	176	138 Å²	138	77%	0.765	80%	0.8	S	S	*	*			trans	-108	-178.3	-171.2	-56.4	171.7	175	175.8	0	112.2
876	E	28.8	Very low	30.6	Very low	153 Å²	153	138.4 Å²	138.4	72%	0.715	80%	0.803	S	S	*	*			trans	99.9	154.2	131.4	-95.3	155.2	-138.4	0	0	120.8
877	S	31.5	Very low	30.4	Very low	114 Å²	114	140.1 Å²	140.1	80%	0.797	81%	0.808	S	S	*	*			trans	61.4	94.6	171.5	48.6	0	0	0	0	119
878	S	26	Very low	30	Very low	110 Å²	110	143.2 Å²	143.2	77%	0.769	81%	0.808	S	S	*	*			trans	-48.8	147.6	145.9	50.9	0	0	0	0	114
879	Y	30.3	Very low	29.8	Very low	214 Å²	214	142.4 Å²	142.4	84%	0.839	80%	0.802	S	S	*	*			trans	-145.4	139.4	143.2	-125	-85.7	0	0	0	110.5
880	S	25.8	Very low	29.6	Very low	106 Å²	106	143.8 Å²	143.8	74%	0.741	80%	0.8	S	S	*	*			trans	-127.2	135.9	178	50.7	0	0	0	0	109.5
881	Q	29.8	Very low	29.7	Very low	181 Å²	181	143 Å²	143	85%	0.846	80%	0.8	S	S	*	*			trans	-156.6	132.3	168.8	-118.8	163.6	12.9	0	0	112.1
882	S	25.4	Very low	29.8	Very low	104 Å²	104	145.2 Å²	145.2	73%	0.727	80%	0.803	S	S	*	*			trans	-84.4	150.7	173.3	-48.3	0	0	0	0	110.6	D884	S882-D884 PolarHBondContact O-N 3.4Å
883	P	36.5	Very low	29.8	Very low	108 Å²	108	142.4 Å²	142.4	70%	0.701	80%	0.795	S	S	*	*			trans	-89.6	90.4	169	33.8	-30.5	0	0	0	111.2	Y885	P883-Y885 HydrophobicContact CB-CD2 4.13Å; P883-Y885 HydrophobicContact CB-CE2 3.92Å
884	D	25.7	Very low	30.1	Very low	157 Å²	157	141.5 Å²	141.5	84%	0.84	79%	0.794	S	S	*	*			trans	-69.5	130.9	159.2	-82.9	-47	0	0	0	109.5	S882	S882-D884 PolarHBondContact O-N 3.4Å
885	Y	33.6	Very low	29.8	Very low	228 Å²	228	145.2 Å²	145.2	89%	0.894	80%	0.795	S	S	*	*			trans	-130.6	107.9	172.2	-85.8	-75.5	0	0	0	111.3	P883	P883-Y885 HydrophobicContact CB-CD2 4.13Å; P883-Y885 HydrophobicContact CB-CE2 3.92Å
886	S	25	Very low	29.8	Very low	115 Å²	115	143 Å²	143	80%	0.804	80%	0.798	S	S	*	*			trans	-112.4	133	166.1	78.1	0	0	0	0	110.1
887	C	28.9	Very low	29.7	Very low	138 Å²	138	141.3 Å²	141.3	93%	0.932	80%	0.803	S	S	*	*			trans	-142.5	154.1	163.1	-103.3	0	0	0	0	109.5
888	K	28	Very low	29.7	Very low	172 Å²	172	141.6 Å²	141.6	75%	0.748	81%	0.805	S	S	*	*			trans	-113.1	158.4	-171	-65.4	173.3	156.1	-155	0	112.1
889	E	29.1	Very low	29.8	Very low	167 Å²	167	143.1 Å²	143.1	78%	0.78	81%	0.805	S	S	*	*			trans	65.1	147.3	147.5	-75.2	149.6	-139.5	0	0	116.8
890	S	28.8	Very low	29.8	Very low	101 Å²	101	140.1 Å²	140.1	71%	0.706	80%	0.798	S	S	*	*			cis	-160.3	174.5	-3.4	51.1	0	0	0	0	112.2
891	S	35.4	Very low	30.4	Very low	114 Å²	114	141.4 Å²	141.4	80%	0.797	80%	0.797	S	S	*	*			trans	70.4	124.1	159.5	48.2	0	0	0	0	120.9
892	N	29.5	Very low	31.4	Very low	158 Å²	158	139.2 Å²	139.2	85%	0.845	79%	0.791	S	S	*	*			trans	-79.7	171.4	171.4	-64.9	-62.2	0	0	0	112.4
893	P	36.7	Very low	32.8	Very low	116 Å²	116	139.2 Å²	139.2	75%	0.753	79%	0.791	S	S	*	*				-142.8	158.1	90.6	37	-22	0	0	0	117.3
894	S	34.7	Very low	34.7	Very low	115 Å²	115	136.7 Å²	136.7	80%	0.804	77%	0.772	S	S	*	*			trans	60.4	114.8	158.5	52.5	0	0	0	0	121.1
895	K	27.1	Very low	37.4	Very low	203 Å²	203	131.4 Å²	131.4	88%	0.883	74%	0.743	S	S	*	*			trans	-108.9	148	161.4	-78.9	-175.4	175.7	-179.2	0	111
896	P	29.9	Very low	39.8	Very low	128 Å²	128	123 Å²	123	83%	0.831	71%	0.713	S	S	*	*			trans	-81	155.4	146.4	34.8	-31.1	0	0	0	110.9
897	S	25.5	Very low	42.8	Very low	118 Å²	118	118.2 Å²	118.2	83%	0.825	68%	0.678	S	S	*	*			trans	-99.2	139.3	-172.5	46.6	0	0	0	0	114.1
898	S	32	Very low	45.7	Very low	121 Å²	121	111.9 Å²	111.9	85%	0.846	64%	0.636	S	S	*	*			trans	-148.1	131.3	161.5	52.1	0	0	0	0	113.2
899	N	27.7	Very low	48.9	Very low	141 Å²	141	105 Å²	105	75%	0.754	61%	0.605	S	S	*	*			trans	-65.2	162.5	177.5	-62.4	-8.1	0	0	0	112.3
900	H	30	Very low	52	Low	152 Å²	152	97 Å²	97	70%	0.704	57%	0.568	S	S	*	*			cis	-163.4	-175.2	-5.3	-120.2	-57.7	0	0	0	108.5	N902	H900-N902 PolarHBondContact O-N 2.93Å
901	N	38.7	Very low	55.2	Low	133 Å²	133	92.2 Å²	92.2	71%	0.711	53%	0.534	S	S	*	.			trans	79.3	-11.4	156.4	-62.7	-2.7	0	0	0	124	S903	N901-S903 PolarHBondContact O-N 3.47Å
902	N	50.8	Low	58.1	Low	134 Å²	134	86.8 Å²	86.8	72%	0.717	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	15.9	-175.4	-83.7	17	0	0	0	117.2	H900	H900-N902 PolarHBondContact O-N 2.93Å
903	S	54.8	Low	61.4	Low	104 Å²	104	79.8 Å²	79.8	73%	0.727	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-11.2	-173.3	48	0	0	0	0	116.1	N901	N901-S903 PolarHBondContact O-N 3.47Å
904	N	77.2	Confident	64.2	Low	56 Å²	56	75.7 Å²	75.7	30%	0.299	43%	0.43	S	S	.	.	S	Bend	trans	-106.6	-9.9	-161.2	-63.9	18.9	0	0	0	114.9	E944 V945	N904-E944 VanDerWaalsContact O-CA 3.27Å; N904-E944 WeakPolarHBondContact O-CA 3.11Å; N904-V945 PolarHBondContact O-N 3.39Å; N904-V945 VanDerWaalsContact O-N 3.1Å
905	I	82	Confident	67.2	Low	45 Å²	45	71.8 Å²	71.8	23%	0.231	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129	-178.3	-56.5	169.1	0	0	0	109.4	P833 Q942 T943 E944	P833-I905 HydrophobicContact CB-CG2 4.11Å; P833-I905 HydrophobicContact CG-CG2 4.44Å; I905-Q942 HydrophobicContact CG2-CB 4.41Å; I905-T943 WeakPolarHBondContact CA-O 3.34Å; I905-E944 HydrophobicContact CB-CG 4.21Å; I905-E944 HydrophobicContact CG1-CG 3.68Å
906	L	83.2	Confident	70.5	Confident	53 Å²	53	62.9 Å²	62.9	28%	0.277	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-56.6	-179.3	-59.8	178.5	0	0	0	111.7	T943 V945 L967 L970 L975 F1026	L906-T943 HydrophobicContact CD1-CG2 4.39Å; L906-T943 PolarHBondContact N-O 3.39Å; L906-V945 HydrophobicContact CD1-CG2 3.84Å; L906-V945 HydrophobicContact CD2-CG2 3.83Å; L906-V945 HydrophobicContact CG-CG2 3.99Å; L906-L967 HydrophobicContact CD2-CD2 4.02Å; L906-L970 HydrophobicContact CD1-CD1 3.87Å; L906-L975 HydrophobicContact CD1-CD2 3.71Å; L906-F1026 HydrophobicContact CB-CE1 4.48Å; L906-F1026 HydrophobicContact CD1-CE1 3.7Å; L906-F1026 HydrophobicContact CD1-CZ 4.14Å
907	D	88.1	Confident	73.5	Confident	14 Å²	14	62.8 Å²	62.8	8%	0.075	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	160.9	-177.9	66.8	-61.7	0	0	0	110.7	Q942 T943 F1026	D907-Q942 WeakPolarHBondContact O-CA 3.19Å; D907-T943 VanDerWaalsContact CG-OG1 3.29Å; D907-T943 PolarHBondContact O-N 2.8Å; D907-T943 WeakPolarHBondContact OD1-CB 3.31Å; D907-T943 PolarHBondContact OD1-OG1 3.03Å; D907-T943 PolarHBondContact OD2-OG1 3.43Å; D907-F1026 WeakPolarHBondContact OD1-CD1 3.25Å
908	G	90.8	Very high	76.7	Confident	4 Å²	4	60.1 Å²	60.1	4%	0.041	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.3	174.4	0	0	0	0	0	110.3	V831 C941	V831-G908 PolarHBondContact N-O 2.84Å; G908-C941 CarbonylContact C-O 3.51Å; G908-C941 VanDerWaalsContact CA-O 3.3Å; G908-C941 WeakPolarHBondContact CA-O 3.15Å
909	W	94.2	Very high	79.6	Confident	27 Å²	27	55.1 Å²	55.1	10%	0.102	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	151.6	-178.2	-77.3	87.7	0	0	0	111	A770 R771 C774 I828 P830 Y940 C941 F1026	A770-W909 HydrophobicContact CB-CB 4.25Å; R771-W909 HydrophobicContact CB-CD2 4.43Å; R771-W909 HydrophobicContact CB-CG 4.3Å; R771-W909 HydrophobicContact CG-CZ2 4.46Å; R771-W909 VanDerWaalsContact CZ-CH2 3.46Å; R771-W909 VanDerWaalsContact NH1-CH2 3.32Å; C774-W909 HydrophobicContact CB-CB 3.93Å; C774-W909 VanDerWaalsContact SG-C 3.6Å; C774-W909 VanDerWaalsContact SG-CB 3.6Å; I828-W909 HydrophobicContact CD1-CE3 4.43Å; I828-W909 HydrophobicContact CG1-CE3 4.04Å; I828-W909 HydrophobicContact CG1-CZ3 4.27Å; P830-W909 HydrophobicContact CB-CD2 4.24Å; P830-W909 HydrophobicContact CB-CE3 4.26Å; P830-W909 HydrophobicContact CB-CH2 3.8Å; P830-W909 HydrophobicContact CB-CZ2 3.78Å; P830-W909 HydrophobicContact CB-CZ3 4.06Å; P830-W909 HydrophobicContact CG-CH2 4.11Å; P830-W909 HydrophobicContact CG-CZ3 4.34Å; W909-Y940 WeakPolarHBondContact O-CD2 3.44Å; W909-C941 PolarHBondContact N-O 2.96Å; W909-C941 PolarHBondContact O-N 3.21Å; W909-F1026 PolarHBondContact NE1-OXT 3.13Å
910	M	94.6	Very high	82.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.9	179.4	-168.8	171.8	62.1	0	0	110.9	V665 H668 M669 F672 I828 C829 V831 V912 V938 L939 Y940	V665-M910 HydrophobicContact CG1-CE 4.03Å; H668-M910 HydrophobicContact CB-CE 4.03Å; H668-M910 HydrophobicContact CB-SD 3.76Å; M669-M910 HydrophobicContact CG-CE 3.64Å; F672-M910 HydrophobicContact CD2-SD 3.84Å; F672-M910 HydrophobicContact CE2-SD 4.09Å; I828-M910 WeakPolarHBondContact CA-O 3.39Å; C829-M910 PolarHBondContact N-O 3.04Å; C829-M910 PolarHBondContact O-N 3.05Å; V831-M910 HydrophobicContact CG2-CB 3.72Å; M910-V912 HydrophobicContact CE-CG2 3.72Å; M910-V912 HydrophobicContact CG-CG2 4.07Å; M910-V912 HydrophobicContact SD-CG2 4.04Å; M910-V938 HydrophobicContact CG-CG1 3.59Å; M910-V938 HydrophobicContact SD-CG1 3.74Å; M910-L939 CarbonylContact C-O 3.58Å; M910-L939 WeakPolarHBondContact CA-O 3.27Å; M910-Y940 HydrophobicContact CB-CD2 4.13Å; M910-Y940 HydrophobicContact CG-CD2 4.42Å
911	V	96.8	Very high	85.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	126.3	164.5	-174.7	0	0	0	0	108.6	C774 F777 W778 H827 I828 V938 L939	C774-V911 HydrophobicContact CB-CG2 3.64Å; C774-V911 WeakPolarHBondContact O-CG2 3.43Å; F777-V911 HydrophobicContact CD1-CB 3.82Å; F777-V911 HydrophobicContact CD1-CG1 3.79Å; F777-V911 HydrophobicContact CD1-CG2 4.16Å; F777-V911 HydrophobicContact CE1-CB 4.28Å; F777-V911 HydrophobicContact CE1-CG1 4.11Å; W778-V911 HydrophobicContact CB-CG1 4.07Å; W778-V911 HydrophobicContact CB-CG2 4.03Å; W778-V911 HydrophobicContact CG-CG1 4.32Å; H827-V911 CarbonylContact O-C 3.57Å; H827-V911 VanDerWaalsContact O-CA 3.3Å; H827-V911 WeakPolarHBondContact O-CA 3.43Å; I828-V911 HydrophobicContact CB-CG2 4.24Å; I828-V911 HydrophobicContact CD1-CG2 4.19Å; I828-V911 HydrophobicContact CG1-CG2 4.02Å; V911-V938 WeakPolarHBondContact O-CA 3.49Å; V911-V938 WeakPolarHBondContact O-CG1 3.41Å; V911-L939 PolarHBondContact N-O 3.42Å; V911-L939 PolarHBondContact O-N 3.29Å
912	V	96.7	Very high	88	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.6	176.1	178.7	0	0	0	0	108.9	V664 V665 W825 S826 H827 M910 V938	V664-V912 HydrophobicContact CG1-CG1 3.94Å; V665-V912 HydrophobicContact CG2-CG2 4.37Å; W825-V912 HydrophobicContact CH2-CG1 3.8Å; W825-V912 HydrophobicContact CZ3-CB 4.11Å; W825-V912 HydrophobicContact CZ3-CG1 3.73Å; S826-V912 WeakPolarHBondContact CA-O 3.5Å; H827-V912 PolarHBondContact N-O 3.44Å; H827-V912 PolarHBondContact O-N 3.41Å; M910-V912 HydrophobicContact CE-CG2 3.72Å; M910-V912 HydrophobicContact CG-CG2 4.07Å; M910-V912 HydrophobicContact SD-CG2 4.04Å; V912-V938 HydrophobicContact CG1-CG2 4.28Å; V912-V938 HydrophobicContact CG2-CG1 4.02Å; V912-V938 HydrophobicContact CG2-CG2 4.18Å
913	N	97.4	Very high	89.8	Confident	11 Å²	11	44.5 Å²	44.5	6%	0.059	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	120.6	169.8	-61.1	-17.7	0	0	0	107.9	F824 W825 S826 L935 V937	F824-N913 HydrophobicContact CD2-CB 3.78Å; F824-N913 HydrophobicContact CE2-CB 4.05Å; W825-N913 WeakPolarHBondContact O-CA 3.45Å; S826-N913 WeakPolarHBondContact CB-OD1 3.47Å; S826-N913 PolarHBondContact OG-OD1 2.99Å; N913-L935 HydrophobicContact CB-CD1 3.77Å; N913-L935 WeakPolarHBondContact O-CD1 3.36Å; N913-V937 HydrophobicContact CB-CB 4.23Å; N913-V937 PolarHBondContact N-O 3.34Å; N913-V937 PolarHBondContact O-N 3.4Å
914	M	97	Very high	90.9	Very high	31 Å²	31	42.6 Å²	42.6	15%	0.153	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	130.4	-177	-177.9	63.7	76.7	0	0	110.5	V664 F824 W825 E936	V664-M914 HydrophobicContact CG1-CE 3.64Å; V664-M914 HydrophobicContact CG2-CE 4.3Å; F824-M914 CarbonylContact C-O 3.56Å; F824-M914 WeakPolarHBondContact CA-O 3.46Å; F824-M914 WeakPolarHBondContact CB-O 3.32Å; W825-M914 HydrophobicContact CD2-CB 4.11Å; W825-M914 HydrophobicContact CE3-CB 4.4Å; W825-M914 HydrophobicContact CH2-CB 3.86Å; W825-M914 HydrophobicContact CZ2-CB 3.51Å; W825-M914 HydrophobicContact CZ2-CG 3.9Å; W825-M914 HydrophobicContact CZ3-CB 4.29Å; W825-M914 PolarHBondContact N-O 3.46Å; W825-M914 PolarHBondContact O-N 3.08Å; M914-E936 HydrophobicContact CE-CB 3.86Å; M914-E936 HydrophobicContact CE-CG 3.67Å; M914-E936 HydrophobicContact SD-CB 3.96Å; M914-E936 HydrophobicContact SD-CG 4.45Å
915	S	96.9	Very high	91	Very high	32 Å²	32	46.3 Å²	46.3	22%	0.224	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	140.3	178.5	-90.9	0	0	0	0	112.5	L823 L933 G934 L935	L823-S915 VanDerWaalsContact O-CA 3.31Å; L823-S915 WeakPolarHBondContact O-CA 3.42Å; L823-S915 PolarHBondContact O-OG 3.35Å; S915-L933 PolarHBondContact OG-O 2.73Å; S915-G934 WeakPolarHBondContact OG-CA 3.41Å; S915-L935 PolarHBondContact N-O 3.21Å; S915-L935 PolarHBondContact OG-N 2.74Å
916	T	95.4	Very high	90.7	Very high	16 Å²	16	47.3 Å²	47.3	10%	0.098	26%	0.264	C	S	.	.			trans	-141.8	159.6	177.1	-169.1	0	0	0	0	111.4	L657 L823 Y918	L657-T916 WeakPolarHBondContact CD2-OG1 3.14Å; L823-T916 WeakPolarHBondContact CD2-O 3.48Å; L823-T916 HydrophobicContact CG-CG2 4.23Å; L823-T916 VanDerWaalsContact CG-O 3.27Å; L823-T916 WeakPolarHBondContact CG-O 3.31Å; L823-T916 PolarHBondContact O-N 2.89Å; L823-T916 VanDerWaalsContact O-N 3.1Å; T916-Y918 PolarHBondContact OG1-N 2.97Å
917	N	93.5	Very high	90.2	Very high	127 Å²	127	51.3 Å²	51.3	68%	0.679	30%	0.297	S	S	*	.			trans	-95.5	-4.3	168.4	-65	-38.2	0	0	0	112	L919 S920	N917-L919 PolarHBondContact O-N 3.43Å; N917-S920 WeakPolarHBondContact O-CB 3.37Å; N917-S920 PolarHBondContact O-N 3.31Å; N917-S920 PolarHBondContact O-OG 2.93Å
918	Y	93.4	Very high	89.6	Confident	61 Å²	61	52.2 Å²	52.2	24%	0.239	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	122.8	177.9	-177.3	-112.5	0	0	0	110.9	H655 P656 L657 V806 L823 T916	H655-Y918 AromaticContact CE1-CE1 3.65Å; H655-Y918 AromaticContact CE1-CZ 3.92Å; H655-Y918 AromaticContact NE2-CE1 3.88Å; H655-Y918 AromaticContact NE2-CZ 4Å; P656-Y918 HydrophobicContact CB-CD2 4.49Å; P656-Y918 HydrophobicContact CB-CE2 4.25Å; P656-Y918 HydrophobicContact CG-CE2 4.12Å; L657-Y918 HydrophobicContact CD1-CD1 3.56Å; L657-Y918 HydrophobicContact CD1-CE1 4.3Å; L657-Y918 HydrophobicContact CD1-CG 4.07Å; L657-Y918 HydrophobicContact CD2-CG 4.26Å; L657-Y918 HydrophobicContact CG-CD1 3.92Å; L657-Y918 HydrophobicContact CG-CG 4Å; V806-Y918 HydrophobicContact CG2-CD1 4.13Å; V806-Y918 HydrophobicContact CG2-CE1 4.46Å; L823-Y918 WeakPolarHBondContact CD2-O 3.49Å; T916-Y918 PolarHBondContact OG1-N 2.97Å
919	L	92.2	Very high	89.3	Confident	16 Å²	16	56.7 Å²	56.7	8%	0.084	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	23.3	-173.6	-44.1	178.9	0	0	0	115.5	L797 E798 V806 N917 D921 K922	L797-L919 HydrophobicContact CB-CD1 3.9Å; L797-L919 HydrophobicContact CD1-CB 4.08Å; E798-L919 HydrophobicContact CB-CD1 3.7Å; E798-L919 WeakPolarHBondContact OE2-CD1 3.44Å; V806-L919 HydrophobicContact CG1-CD1 4.27Å; N917-L919 PolarHBondContact O-N 3.43Å; L919-D921 PolarHBondContact O-N 3.3Å; L919-D921 VanDerWaalsContact O-N 3.08Å; L919-K922 HydrophobicContact CB-CB 4.24Å; L919-K922 HydrophobicContact CB-CD 4.12Å; L919-K922 HydrophobicContact CB-CG 4.26Å; L919-K922 HydrophobicContact CD1-CD 4.07Å; L919-K922 HydrophobicContact CD2-CD 3.88Å; L919-K922 HydrophobicContact CD2-CG 4.41Å; L919-K922 HydrophobicContact CG-CD 4.22Å; L919-K922 PolarHBondContact O-N 3.02Å
920	S	91.9	Very high	89.2	Confident	53 Å²	53	57.5 Å²	57.5	37%	0.371	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-47.1	-36.8	171.1	39.1	0	0	0	0	114	N917 I923	N917-S920 WeakPolarHBondContact O-CB 3.37Å; N917-S920 PolarHBondContact O-N 3.31Å; N917-S920 PolarHBondContact O-OG 2.93Å; S920-I923 WeakPolarHBondContact O-CB 3.47Å; S920-I923 WeakPolarHBondContact O-CG1 3.36Å; S920-I923 PolarHBondContact O-N 3.4Å
921	D	91.3	Very high	89.1	Confident	145 Å²	145	59.6 Å²	59.6	78%	0.775	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-87.9	-6.9	-173.8	22.2	-68.5	0	0	0	113.2	L919	L919-D921 PolarHBondContact O-N 3.3Å; L919-D921 VanDerWaalsContact O-N 3.08Å
922	K	89.5	Confident	89	Confident	108 Å²	108	63.4 Å²	63.4	47%	0.47	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-91.4	-3	166.1	-64.9	-173.4	-173.7	160.9	0	113	E798 L919	E798-K922 IonicContact OE2-NZ 3.69Å; E798-K922 PolarHBondContact OE2-NZ 2.89Å; L919-K922 HydrophobicContact CB-CB 4.24Å; L919-K922 HydrophobicContact CB-CD 4.12Å; L919-K922 HydrophobicContact CB-CG 4.26Å; L919-K922 HydrophobicContact CD1-CD 4.07Å; L919-K922 HydrophobicContact CD2-CD 3.88Å; L919-K922 HydrophobicContact CD2-CG 4.41Å; L919-K922 HydrophobicContact CG-CD 4.22Å; L919-K922 PolarHBondContact O-N 3.02Å
923	I	88.4	Confident	88.8	Confident	32 Å²	32	64 Å²	64	16%	0.164	37%	0.369	C	S	.	.	S	Bend	trans	-68.1	130.6	-176.6	-65.9	178.6	0	0	0	110.3	L797 L823 S920 R932	L797-I923 HydrophobicContact CD1-CG1 4.12Å; L823-I923 HydrophobicContact CB-CD1 4.18Å; L823-I923 HydrophobicContact CD2-CD1 3.98Å; L823-I923 HydrophobicContact CG-CD1 4.49Å; S920-I923 WeakPolarHBondContact O-CB 3.47Å; S920-I923 WeakPolarHBondContact O-CG1 3.36Å; S920-I923 PolarHBondContact O-N 3.4Å; I923-R932 VanDerWaalsContact CD1-NH2 3.26Å
924	P	78.9	Confident	88.7	Confident	64 Å²	64	64.9 Å²	64.9	42%	0.416	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-58.8	137.3	176.5	-24.8	34.5	0	0	0	112.4	S926	P924-S926 PolarHBondContact O-N 3.39Å
925	P	78.3	Confident	88.6	Confident	134 Å²	134	63.9 Å²	63.9	87%	0.87	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-64.1	127	177.6	26.4	-33.9	0	0	0	110.9
926	S	76.3	Confident	88.5	Confident	65 Å²	65	64.8 Å²	64.8	46%	0.455	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-85.1	136.5	176.3	177.4	0	0	0	0	111.1	P924 S928	P924-S926 PolarHBondContact O-N 3.39Å; S926-S928 WeakPolarHBondContact CB-O 3.28Å; S926-S928 PolarHBondContact O-N 2.98Å; S926-S928 PolarHBondContact OG-N 3.46Å; S926-S928 PolarHBondContact OG-O 3.02Å
927	S	72.6	Confident	88.6	Confident	137 Å²	137	64.4 Å²	64.4	96%	0.958	37%	0.374	S	S	*	.	S	Bend	trans	-71.6	-16.8	173.7	56.5	0	0	0	0	113.7
928	S	76.1	Confident	88.7	Confident	34 Å²	34	58.4 Å²	58.4	24%	0.238	34%	0.342	C	S	.	.	S	Bend	trans	-122.6	148.9	173.9	95	0	0	0	0	111.4	R813 Q819 S926 T930	R813-S928 PolarHBondContact NH2-OG 3.02Å; Q819-S928 PolarHBondContact OE1-OG 2.93Å; S926-S928 WeakPolarHBondContact CB-O 3.28Å; S926-S928 PolarHBondContact O-N 2.98Å; S926-S928 PolarHBondContact OG-N 3.46Å; S926-S928 PolarHBondContact OG-O 3.02Å; S928-T930 PolarHBondContact O-N 2.76Å
929	P	85.1	Confident	88.8	Confident	97 Å²	97	55.6 Å²	55.6	63%	0.63	33%	0.331	S	S	*	.			trans	-63.9	127.3	-180	25.4	-33.8	0	0	0	111.1	R813 T818	R813-P929 PolarHBondContact NH2-O 2.87Å; T818-P929 HydrophobicContact CG2-CB 4.4Å; T818-P929 WeakPolarHBondContact CG2-O 3.48Å
930	T	90.6	Very high	88.9	Confident	44 Å²	44	55.2 Å²	55.2	27%	0.27	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	155.8	172.9	50.9	0	0	0	0	111	V810 Q819 D821 S928	V810-T930 HydrophobicContact CG1-CG2 4.43Å; Q819-T930 HydrophobicContact CB-CG2 4.46Å; Q819-T930 HydrophobicContact CG-CG2 4.5Å; Q819-T930 CarbonylContact O-C 3.57Å; Q819-T930 VanDerWaalsContact O-CA 3.3Å; Q819-T930 WeakPolarHBondContact O-CA 3.36Å; D821-T930 HydrophobicContact CB-CG2 4.39Å; S928-T930 PolarHBondContact O-N 2.76Å
931	I	92.7	Very high	89	Confident	44 Å²	44	52.7 Å²	52.7	23%	0.226	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.9	169.4	-66.5	179	0	0	0	108.2	T818 Q819 R820 D821 L933 G988	T818-I931 HydrophobicContact CG2-CD1 4.11Å; T818-I931 HydrophobicContact CG2-CG1 3.92Å; Q819-I931 PolarHBondContact O-N 3.38Å; R820-I931 VanDerWaalsContact CA-O 3.32Å; R820-I931 WeakPolarHBondContact CA-O 3.39Å; D821-I931 PolarHBondContact N-O 2.65Å; I931-L933 PolarHBondContact O-N 3.04Å; I931-G988 WeakPolarHBondContact CG2-O 3.33Å
932	R	94.2	Very high	89.1	Confident	81 Å²	81	47 Å²	47	31%	0.306	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	115.1	177.5	-176.5	54.5	46.2	76.3	8	110.5	D821 I923 G988	D821-R932 VanDerWaalsContact CG-NH2 3.35Å; D821-R932 WeakPolarHBondContact O-CA 3.48Å; D821-R932 WeakPolarHBondContact O-CD 3.41Å; D821-R932 WeakPolarHBondContact OD1-CA 3.48Å; D821-R932 IonicContact OD1-CZ 3.59Å; D821-R932 IonicContact OD1-NE 3.12Å; D821-R932 PolarHBondContact OD1-NE 3.04Å; D821-R932 IonicContact OD1-NH2 3.51Å; D821-R932 PolarHBondContact OD1-NH2 3.47Å; D821-R932 IonicContact OD2-CZ 3.77Å; D821-R932 IonicContact OD2-NE 2.78Å; D821-R932 IonicContact OD2-NH2 2.72Å; D821-R932 PolarHBondContact OD2-NH2 3.03Å; I923-R932 VanDerWaalsContact CD1-NH2 3.26Å; R932-G988 VanDerWaalsContact O-CA 3.3Å; R932-G988 WeakPolarHBondContact O-CA 3.36Å
933	L	93.5	Very high	89.2	Confident	13 Å²	13	41.9 Å²	41.9	7%	0.068	26%	0.257	C	S	.	.			trans	-81	147.8	166.7	60.2	129.5	0	0	0	111.1	Y811 R820 D821 S915 I931 L935 I985 N986	Y811-L933 HydrophobicContact CD2-CD2 3.74Å; Y811-L933 HydrophobicContact CE2-CD1 4.33Å; Y811-L933 HydrophobicContact CE2-CD2 3.7Å; R820-L933 HydrophobicContact CB-CD2 3.6Å; R820-L933 HydrophobicContact CG-CB 4.47Å; R820-L933 HydrophobicContact CG-CD2 3.86Å; D821-L933 VanDerWaalsContact C-CD2 3.48Å; D821-L933 WeakPolarHBondContact O-CD2 3.41Å; D821-L933 WeakPolarHBondContact O-CG 3.38Å; D821-L933 PolarHBondContact O-N 3.04Å; S915-L933 PolarHBondContact OG-O 2.73Å; I931-L933 PolarHBondContact O-N 3.04Å; L933-L935 HydrophobicContact CD1-CB 4.21Å; L933-L935 HydrophobicContact CD1-CD2 3.97Å; L933-I985 HydrophobicContact CD1-CG2 4.18Å; L933-N986 CarbonylContact C-O 3.59Å; L933-N986 VanDerWaalsContact CA-O 3.27Å; L933-N986 WeakPolarHBondContact CA-O 3.43Å; L933-N986 VanDerWaalsContact CB-O 3.27Å; L933-N986 WeakPolarHBondContact CB-O 3.29Å
934	G	94.5	Very high	89.2	Confident	28 Å²	28	41.2 Å²	41.2	29%	0.289	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.7	161.9	0	0	0	0	0	109.5	S915 N986	S915-G934 WeakPolarHBondContact OG-CA 3.41Å; G934-N986 PolarHBondContact N-O 2.96Å; G934-N986 PolarHBondContact O-N 2.9Å
935	L	95	Very high	89.6	Confident	10 Å²	10	40.2 Å²	40.2	5%	0.052	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.8	173	66.5	90.5	0	0	0	112	F824 N913 S915 L933 V937 I985	F824-L935 HydrophobicContact CB-CD1 4Å; F824-L935 HydrophobicContact CB-CD2 4.5Å; F824-L935 HydrophobicContact CB-CG 4.38Å; F824-L935 HydrophobicContact CD1-CD2 3.96Å; F824-L935 HydrophobicContact CD2-CD1 4.43Å; F824-L935 HydrophobicContact CE1-CD2 4.43Å; F824-L935 HydrophobicContact CG-CD1 4.13Å; F824-L935 HydrophobicContact CG-CD2 4.3Å; N913-L935 HydrophobicContact CB-CD1 3.77Å; N913-L935 WeakPolarHBondContact O-CD1 3.36Å; S915-L935 PolarHBondContact N-O 3.21Å; S915-L935 PolarHBondContact OG-N 2.74Å; L933-L935 HydrophobicContact CD1-CB 4.21Å; L933-L935 HydrophobicContact CD1-CD2 3.97Å; L935-V937 HydrophobicContact CB-CG2 4.3Å; L935-V937 HydrophobicContact CD1-CB 4.44Å; L935-V937 HydrophobicContact CD1-CG2 4.3Å; L935-I985 HydrophobicContact CB-CD1 3.61Å
936	E	95.6	Very high	89.7	Confident	51 Å²	51	35.9 Å²	35.9	24%	0.238	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	106.2	160.7	164.9	-173.1	-144.7	0	0	105.1	H668 M914 N984	H668-E936 IonicContact CE1-OE1 2.7Å; H668-E936 PolarHBondContact CE1-OE1 3.14Å; H668-E936 IonicContact NE2-OE1 3.77Å; M914-E936 HydrophobicContact CE-CB 3.86Å; M914-E936 HydrophobicContact CE-CG 3.67Å; M914-E936 HydrophobicContact SD-CB 3.96Å; M914-E936 HydrophobicContact SD-CG 4.45Å; E936-N984 HydrophobicContact CB-CB 4.17Å; E936-N984 PolarHBondContact N-O 3.09Å; E936-N984 PolarHBondContact O-N 2.91Å; E936-N984 PolarHBondContact OE2-ND2 3.01Å
937	V	96.8	Very high	89.2	Confident	9 Å²	9	37 Å²	37	6%	0.055	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.7	-176.9	172.9	0	0	0	0	109	F777 N913 L935 Y981 M982 A983 I985	F777-V937 HydrophobicContact CZ-CG1 4.17Å; N913-V937 HydrophobicContact CB-CB 4.23Å; N913-V937 PolarHBondContact N-O 3.34Å; N913-V937 PolarHBondContact O-N 3.4Å; L935-V937 HydrophobicContact CB-CG2 4.3Å; L935-V937 HydrophobicContact CD1-CB 4.44Å; L935-V937 HydrophobicContact CD1-CG2 4.3Å; V937-Y981 HydrophobicContact CG1-CD2 4.48Å; V937-Y981 HydrophobicContact CG1-CE2 3.55Å; V937-M982 CarbonylContact C-O 3.55Å; V937-M982 VanDerWaalsContact CA-O 3.3Å; V937-M982 WeakPolarHBondContact CA-O 3.39Å; V937-A983 HydrophobicContact CG2-CB 4.06Å; V937-I985 HydrophobicContact CG2-CD1 3.72Å
938	V	95.7	Very high	88	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.6	-179	-171	0	0	0	0	110.8	F672 M910 V911 V912 Y981 M982	F672-V938 HydrophobicContact CE2-CB 4.26Å; F672-V938 HydrophobicContact CE2-CG1 3.63Å; F672-V938 HydrophobicContact CZ-CB 4.4Å; F672-V938 HydrophobicContact CZ-CG1 4.1Å; M910-V938 HydrophobicContact CG-CG1 3.59Å; M910-V938 HydrophobicContact SD-CG1 3.74Å; V911-V938 WeakPolarHBondContact O-CA 3.49Å; V911-V938 WeakPolarHBondContact O-CG1 3.41Å; V912-V938 HydrophobicContact CG1-CG2 4.28Å; V912-V938 HydrophobicContact CG2-CG1 4.02Å; V912-V938 HydrophobicContact CG2-CG2 4.18Å; V938-Y981 WeakPolarHBondContact O-CA 3.31Å; V938-M982 PolarHBondContact N-O 3.13Å; V938-M982 PolarHBondContact O-N 3.37Å
939	L	96.4	Very high	86.3	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	108.1	168.6	177.1	65.2	0	0	0	108.4	F777 M910 V911 L979 Y981 F1011	F777-L939 HydrophobicContact CB-CD2 3.59Å; F777-L939 HydrophobicContact CD1-CB 3.92Å; F777-L939 HydrophobicContact CD1-CD2 3.8Å; F777-L939 HydrophobicContact CD2-CD2 4.16Å; F777-L939 HydrophobicContact CE1-CB 3.95Å; F777-L939 HydrophobicContact CG-CD2 3.59Å; M910-L939 CarbonylContact C-O 3.58Å; M910-L939 WeakPolarHBondContact CA-O 3.27Å; V911-L939 PolarHBondContact N-O 3.42Å; V911-L939 PolarHBondContact O-N 3.29Å; L939-L979 HydrophobicContact CD1-CB 4.15Å; L939-L979 HydrophobicContact CD1-CD1 3.93Å; L939-L979 HydrophobicContact CD1-CG 4.43Å; L939-Y981 HydrophobicContact CD1-CD2 4.45Å; L939-F1011 HydrophobicContact CD2-CE1 4.16Å
940	Y	94.4	Very high	83.9	Confident	8 Å²	8	41 Å²	41	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.7	172.9	178.3	-121.4	0	0	0	110.1	F672 F678 V831 W909 M910 Q942 L979 I980	F672-Y940 HydrophobicContact CB-CD1 3.82Å; F672-Y940 HydrophobicContact CB-CD2 4.43Å; F672-Y940 HydrophobicContact CB-CE1 3.84Å; F672-Y940 HydrophobicContact CB-CE2 4.47Å; F672-Y940 HydrophobicContact CB-CG 4.11Å; F672-Y940 AromaticContact CD1-CD1 3.55Å; F672-Y940 HydrophobicContact CD1-CD1 3.55Å; F672-Y940 HydrophobicContact CD1-CE1 4.31Å; F672-Y940 AromaticContact CD1-CG 3.91Å; F672-Y940 HydrophobicContact CD1-CG 3.91Å; F672-Y940 HydrophobicContact CD2-CG 4.2Å; F672-Y940 HydrophobicContact CE1-CD1 4.29Å; F672-Y940 HydrophobicContact CE1-CG 4.41Å; F672-Y940 AromaticContact CG-CD1 3.72Å; F672-Y940 HydrophobicContact CG-CD1 3.72Å; F672-Y940 HydrophobicContact CG-CD2 4.43Å; F672-Y940 HydrophobicContact CG-CE1 4.27Å; F672-Y940 AromaticContact CG-CG 3.79Å; F672-Y940 HydrophobicContact CG-CG 3.79Å; F678-Y940 HydrophobicContact CE2-CD1 4.48Å; F678-Y940 HydrophobicContact CE2-CE1 4.07Å; F678-Y940 HydrophobicContact CZ-CD1 4.4Å; F678-Y940 HydrophobicContact CZ-CE1 4.39Å; V831-Y940 HydrophobicContact CB-CE2 3.87Å; V831-Y940 HydrophobicContact CG1-CE2 3.89Å; V831-Y940 HydrophobicContact CG2-CD2 4.33Å; V831-Y940 HydrophobicContact CG2-CE2 3.93Å; W909-Y940 WeakPolarHBondContact O-CD2 3.44Å; M910-Y940 HydrophobicContact CB-CD2 4.13Å; M910-Y940 HydrophobicContact CG-CD2 4.42Å; Y940-Q942 HydrophobicContact CE1-CG 3.96Å; Y940-Q942 PolarHBondContact OH-NE2 2.74Å; Y940-L979 CarbonylContact O-C 3.57Å; Y940-L979 VanDerWaalsContact O-CA 3.23Å; Y940-L979 WeakPolarHBondContact O-CA 3.45Å; Y940-I980 PolarHBondContact N-O 3.45Å; Y940-I980 PolarHBondContact O-N 3.03Å
941	C	94.2	Very high	81.4	Confident	0 Å²	0	44 Å²	44	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.6	-177.9	-64.8	0	0	0	0	111.3	A770 G908 W909 T977 R978 L979	A770-C941 HydrophobicContact CB-CB 3.41Å; A770-C941 VanDerWaalsContact CB-CB 3.41Å; G908-C941 CarbonylContact C-O 3.51Å; G908-C941 VanDerWaalsContact CA-O 3.3Å; G908-C941 WeakPolarHBondContact CA-O 3.15Å; W909-C941 PolarHBondContact N-O 2.96Å; W909-C941 PolarHBondContact O-N 3.21Å; C941-T977 HydrophobicContact CB-CG2 3.74Å; C941-R978 CarbonylContact C-O 3.57Å; C941-R978 WeakPolarHBondContact CA-O 3.33Å; C941-L979 VanDerWaalsContact SG-CB 3.56Å
942	Q	91.9	Very high	78.6	Confident	25 Å²	25	48.3 Å²	48.3	12%	0.117	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	131	169.2	-66.9	-175.6	-33.3	0	0	109.5	F678 I905 D907 Y940 T977 R978	F678-Q942 HydrophobicContact CE2-CG 4.21Å; I905-Q942 HydrophobicContact CG2-CB 4.41Å; D907-Q942 WeakPolarHBondContact O-CA 3.19Å; Y940-Q942 HydrophobicContact CE1-CG 3.96Å; Y940-Q942 PolarHBondContact OH-NE2 2.74Å; Q942-T977 CarbonylContact O-C 3.54Å; Q942-T977 VanDerWaalsContact O-CA 3.27Å; Q942-T977 WeakPolarHBondContact O-CA 3.48Å; Q942-R978 PolarHBondContact N-O 3.07Å; Q942-R978 PolarHBondContact O-N 3.09Å
943	T	92.5	Very high	75.9	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.5	171	-38.2	0	0	0	0	110.1	T769 A770 I905 L906 D907 L975 C976 F1026	T769-T943 WeakPolarHBondContact CA-OG1 3.3Å; T769-T943 HydrophobicContact CG2-CG2 4.23Å; A770-T943 WeakPolarHBondContact CB-OG1 3.27Å; A770-T943 PolarHBondContact N-OG1 3.07Å; I905-T943 WeakPolarHBondContact CA-O 3.34Å; L906-T943 HydrophobicContact CD1-CG2 4.39Å; L906-T943 PolarHBondContact N-O 3.39Å; D907-T943 VanDerWaalsContact CG-OG1 3.29Å; D907-T943 PolarHBondContact O-N 2.8Å; D907-T943 WeakPolarHBondContact OD1-CB 3.31Å; D907-T943 PolarHBondContact OD1-OG1 3.03Å; D907-T943 PolarHBondContact OD2-OG1 3.43Å; T943-L975 HydrophobicContact CG2-CB 4.46Å; T943-L975 HydrophobicContact CG2-CD2 4.36Å; T943-C976 WeakPolarHBondContact CA-O 3.47Å; T943-F1026 HydrophobicContact CG2-CE1 4.38Å
944	E	88.9	Confident	72.9	Confident	18 Å²	18	54.7 Å²	54.7	8%	0.084	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.2	177.3	-81.6	166.5	-113.4	0	0	112.5	N904 I905 C976 R978	N904-E944 VanDerWaalsContact O-CA 3.27Å; N904-E944 WeakPolarHBondContact O-CA 3.11Å; I905-E944 HydrophobicContact CB-CG 4.21Å; I905-E944 HydrophobicContact CG1-CG 3.68Å; E944-C976 PolarHBondContact N-O 3.18Å; E944-C976 PolarHBondContact O-N 2.83Å; E944-R978 VanDerWaalsContact CD-NH1 3.3Å; E944-R978 IonicContact OE1-CZ 3.31Å; E944-R978 IonicContact OE1-NE 3.73Å; E944-R978 PolarHBondContact OE1-NE 2.97Å; E944-R978 IonicContact OE1-NH1 3.29Å; E944-R978 PolarHBondContact OE1-NH1 3.35Å; E944-R978 IonicContact OE1-NH2 3.51Å; E944-R978 PolarHBondContact OE1-NH2 3.41Å; E944-R978 IonicContact OE2-CZ 3.19Å; E944-R978 IonicContact OE2-NH1 2.7Å; E944-R978 PolarHBondContact OE2-NH1 3.3Å; E944-R978 IonicContact OE2-NH2 2.8Å; E944-R978 PolarHBondContact OE2-NH2 3.24Å
945	V	86.9	Confident	69.9	Low	44 Å²	44	58.7 Å²	58.7	27%	0.267	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.8	171.4	-176.7	0	0	0	0	110	N904 L906 S947 L970 Q974	N904-V945 PolarHBondContact O-N 3.39Å; N904-V945 VanDerWaalsContact O-N 3.1Å; L906-V945 HydrophobicContact CD1-CG2 3.84Å; L906-V945 HydrophobicContact CD2-CG2 3.83Å; L906-V945 HydrophobicContact CG-CG2 3.99Å; V945-S947 PolarHBondContact O-N 2.93Å; V945-L970 HydrophobicContact CG2-CD2 4.5Å; V945-Q974 CarbonylContact C-O 3.58Å; V945-Q974 WeakPolarHBondContact CA-O 3.48Å
946	T	80.9	Confident	66.7	Low	43 Å²	43	67.6 Å²	67.6	26%	0.264	44%	0.435	S	S	.	.			trans	-76.3	105.4	174	53.5	0	0	0	0	110.4	S948 Q974 C976	T946-S948 PolarHBondContact O-N 2.94Å; T946-S948 VanDerWaalsContact O-N 3.1Å; T946-Q974 PolarHBondContact N-O 2.99Å; T946-Q974 WeakPolarHBondContact OG1-CA 3.28Å; T946-Q974 PolarHBondContact OG1-O 3.39Å; T946-C976 HydrophobicContact CG2-CB 3.87Å
947	S	64.6	Low	63.6	Low	89 Å²	89	71 Å²	71	62%	0.622	46%	0.459	S	S	*	.			trans	-69.9	104.2	174.3	55.6	0	0	0	0	110.5	V945 S949	V945-S947 PolarHBondContact O-N 2.93Å; S947-S949 PolarHBondContact O-N 3.21Å
948	S	46.9	Very low	60.4	Low	118 Å²	118	76.4 Å²	76.4	83%	0.825	50%	0.498	S	S	*	.			trans	-67.1	107.7	-174.2	55.7	0	0	0	0	113.2	T946	T946-S948 PolarHBondContact O-N 2.94Å; T946-S948 VanDerWaalsContact O-N 3.1Å
949	S	40.4	Very low	57.3	Low	113 Å²	113	82.4 Å²	82.4	79%	0.79	53%	0.534	S	S	*	.			trans	-107.6	61.8	-170.4	48.4	0	0	0	0	114.4	S947	S947-S949 PolarHBondContact O-N 3.21Å
950	S	35.2	Very low	54.1	Low	121 Å²	121	88 Å²	88	85%	0.846	57%	0.568	S	S	*	*			trans	-168.2	72.2	166	31.2	0	0	0	0	115.6
951	S	37.7	Very low	51	Low	106 Å²	106	93.6 Å²	93.6	74%	0.741	61%	0.609	S	S	*	*			trans	-151.6	87.9	157.9	53.1	0	0	0	0	111.9	S953	S951-S953 PolarHBondContact O-N 3.46Å
952	S	34.1	Very low	47.9	Very low	135 Å²	135	97.5 Å²	97.5	94%	0.944	64%	0.636	S	S	*	*			trans	-80.4	81.1	-179.4	56.2	0	0	0	0	112.1
953	S	38.3	Very low	45	Very low	101 Å²	101	101.3 Å²	101.3	71%	0.706	67%	0.665	S	S	*	*			trans	-142.2	105.4	169.3	60.3	0	0	0	0	111.9	S951	S951-S953 PolarHBondContact O-N 3.46Å
954	S	29.3	Very low	42.3	Very low	126 Å²	126	106.8 Å²	106.8	88%	0.881	70%	0.704	S	S	*	*			trans	-38.9	122.8	173.8	51	0	0	0	0	117.1
955	S	32.5	Very low	40.1	Very low	112 Å²	112	112.8 Å²	112.8	78%	0.783	74%	0.736	S	S	*	*			trans	-159.2	120	140.1	59.6	0	0	0	0	109.8
956	E	28.1	Very low	38.6	Very low	198 Å²	198	114.5 Å²	114.5	93%	0.925	74%	0.744	S	S	*	*			trans	-75.3	128.1	177.8	-61.3	174.7	126.7	0	0	110.7
957	T	30.2	Very low	37.7	Very low	122 Å²	122	116.3 Å²	116.3	75%	0.748	75%	0.752	S	S	*	*			trans	-149.7	113.5	155.7	-57.3	0	0	0	0	108.7	V959	T957-V959 PolarHBondContact O-N 3.39Å
958	S	28.4	Very low	37.5	Very low	123 Å²	123	116.3 Å²	116.3	86%	0.86	75%	0.752	S	S	*	*			trans	-72.1	116.9	175	39.5	0	0	0	0	110.2
959	V	31.5	Very low	38.3	Very low	127 Å²	127	118.2 Å²	118.2	77%	0.77	75%	0.745	S	S	*	*			trans	-105	123.6	168.7	-173.5	0	0	0	0	108.7	T957	T957-V959 PolarHBondContact O-N 3.39Å
960	T	29.7	Very low	39.9	Very low	118 Å²	118	114.7 Å²	114.7	72%	0.724	72%	0.717	S	S	*	*			trans	-65.9	151.6	-176.8	47.6	0	0	0	0	112.8	S962	T960-S962 PolarHBondContact O-N 3.01Å
961	S	29.2	Very low	42.1	Very low	127 Å²	127	111.6 Å²	111.6	89%	0.888	70%	0.695	S	S	*	*			trans	-53	109.1	173.5	53.1	0	0	0	0	112.9
962	S	29.8	Very low	44.5	Very low	82 Å²	82	107.8 Å²	107.8	57%	0.573	67%	0.665	S	S	*	*			trans	-119.8	112.9	176.6	58.8	0	0	0	0	111.6	T960	T960-S962 PolarHBondContact O-N 3.01Å
963	S	30.7	Very low	46.9	Very low	104 Å²	104	108.2 Å²	108.2	73%	0.727	66%	0.656	S	S	*	*	S	Bend	trans	16.4	117.1	152.3	56	0	0	0	0	119.4
964	S	34.9	Very low	49.2	Very low	116 Å²	116	107.7 Å²	107.7	81%	0.811	64%	0.643	S	S	*	*	S	Bend	trans	42.2	84.6	148.8	58.1	0	0	0	0	116	D966	S964-D966 PolarHBondContact O-N 3.04Å
965	N	43.8	Very low	52.1	Low	143 Å²	143	101.7 Å²	101.7	77%	0.765	60%	0.601	S	S	*	*			trans	-54.6	135.2	-178	-70.4	-31	0	0	0	113.3	L967	N965-L967 PolarHBondContact O-N 3.27Å
966	D	55.3	Low	55	Low	81 Å²	81	96.9 Å²	96.9	43%	0.433	57%	0.567	S	S	.	*			trans	-75.5	84.5	177.4	-175	-0.7	0	0	0	110.9	S964 S968 K969	S964-D966 PolarHBondContact O-N 3.04Å; D966-S968 PolarHBondContact O-N 3.31Å; D966-S968 WeakPolarHBondContact OD1-CB 3.17Å; D966-S968 PolarHBondContact OD1-N 2.88Å; D966-S968 PolarHBondContact OD1-OG 3.1Å; D966-K969 HydrophobicContact CB-CD 4.33Å; D966-K969 PolarHBondContact O-N 3.38Å; D966-K969 VanDerWaalsContact O-N 3.1Å; D966-K969 WeakPolarHBondContact OD2-CD 3.45Å; D966-K969 WeakPolarHBondContact OD2-CE 3.41Å; D966-K969 IonicContact OD2-NZ 2.66Å; D966-K969 PolarHBondContact OD2-NZ 2.8Å
967	L	62	Low	58.1	Low	80 Å²	80	87.5 Å²	87.5	42%	0.419	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-50.7	-24.5	-178.5	-69.6	168.7	0	0	0	113.7	L906 N965 K969 L970 F1026	L906-L967 HydrophobicContact CD2-CD2 4.02Å; N965-L967 PolarHBondContact O-N 3.27Å; L967-K969 PolarHBondContact O-N 3.06Å; L967-K969 VanDerWaalsContact O-N 3.12Å; L967-L970 HydrophobicContact CD2-CD1 3.8Å; L967-L970 PolarHBondContact O-N 2.81Å; L967-F1026 HydrophobicContact CB-CD2 4.45Å; L967-F1026 HydrophobicContact CB-CE2 4.23Å
968	S	59.1	Low	61	Low	89 Å²	89	84.4 Å²	84.4	62%	0.622	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-64.5	-13.5	179.7	76.4	0	0	0	0	114.5	D966	D966-S968 PolarHBondContact O-N 3.31Å; D966-S968 WeakPolarHBondContact OD1-CB 3.17Å; D966-S968 PolarHBondContact OD1-N 2.88Å; D966-S968 PolarHBondContact OD1-OG 3.1Å
969	K	63.4	Low	64.1	Low	159 Å²	159	78.6 Å²	78.6	69%	0.691	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-101.6	-0.5	-176.8	-70.7	169.6	177.5	144.8	0	114.8	D966 L967 S971	D966-K969 HydrophobicContact CB-CD 4.33Å; D966-K969 PolarHBondContact O-N 3.38Å; D966-K969 VanDerWaalsContact O-N 3.1Å; D966-K969 WeakPolarHBondContact OD2-CD 3.45Å; D966-K969 WeakPolarHBondContact OD2-CE 3.41Å; D966-K969 IonicContact OD2-NZ 2.66Å; D966-K969 PolarHBondContact OD2-NZ 2.8Å; L967-K969 PolarHBondContact O-N 3.06Å; L967-K969 VanDerWaalsContact O-N 3.12Å; K969-S971 PolarHBondContact O-N 3.49Å
970	L	74.5	Confident	67.1	Low	39 Å²	39	72.6 Å²	72.6	20%	0.204	42%	0.421	C	S	.	.			trans	-71.3	125	178.6	-74.7	164.5	0	0	0	111	L906 V945 L967 L975 F1026	L906-L970 HydrophobicContact CD1-CD1 3.87Å; V945-L970 HydrophobicContact CG2-CD2 4.5Å; L967-L970 HydrophobicContact CD2-CD1 3.8Å; L967-L970 PolarHBondContact O-N 2.81Å; L970-L975 HydrophobicContact CB-CD2 4.33Å; L970-L975 HydrophobicContact CD1-CD2 4.25Å; L970-F1026 HydrophobicContact CD1-CZ 4.24Å
971	S	81.4	Confident	70.2	Confident	55 Å²	55	67.9 Å²	67.9	39%	0.385	39%	0.39	S	S	.	.			trans	-75.4	142.4	173	179.2	0	0	0	0	110.5	K969 N973 Q974	K969-S971 PolarHBondContact O-N 3.49Å; S971-N973 PolarHBondContact O-N 2.82Å; S971-N973 VanDerWaalsContact O-N 3.08Å; S971-Q974 WeakPolarHBondContact O-CB 3.42Å; S971-Q974 PolarHBondContact O-N 3.35Å
972	R	87.6	Confident	73.3	Confident	26 Å²	26	64 Å²	64	10%	0.098	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-53	-32.3	175.6	-74.7	-172.9	175.3	-75.2	-6.5	112.8	G767 E772 Q974 L975 T1019 K1022 L1023 P1024	G767-R972 WeakPolarHBondContact CA-O 3.32Å; G767-R972 WeakPolarHBondContact O-CD 3.33Å; G767-R972 PolarHBondContact O-NH1 3.36Å; E772-R972 IonicContact OE1-CZ 3.07Å; E772-R972 IonicContact OE1-NH1 2.71Å; E772-R972 PolarHBondContact OE1-NH1 2.82Å; E772-R972 IonicContact OE1-NH2 3.46Å; E772-R972 PolarHBondContact OE1-NH2 3.31Å; E772-R972 IonicContact OE2-CZ 2.87Å; E772-R972 IonicContact OE2-NH1 3.64Å; E772-R972 PolarHBondContact OE2-NH1 3.48Å; E772-R972 IonicContact OE2-NH2 3.66Å; R972-Q974 PolarHBondContact O-N 3.03Å; R972-Q974 VanDerWaalsContact O-N 3.16Å; R972-L975 PolarHBondContact O-N 3.39Å; R972-L975 VanDerWaalsContact O-N 3.08Å; R972-T1019 VanDerWaalsContact CZ-O 3.25Å; R972-T1019 PolarHBondContact NE-O 2.98Å; R972-T1019 VanDerWaalsContact NE-O 3.07Å; R972-T1019 PolarHBondContact NH2-O 3.34Å; R972-K1022 PolarHBondContact NE-O 3.43Å; R972-K1022 PolarHBondContact NH2-O 3.18Å; R972-L1023 PolarHBondContact NH2-O 3.47Å; R972-P1024 HydrophobicContact CG-CG 4.07Å
973	N	85.3	Confident	76.4	Confident	144 Å²	144	60.1 Å²	60.1	77%	0.77	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-66.8	-13.7	178.3	-62.6	-0.5	0	0	0	113.7	S971	S971-N973 PolarHBondContact O-N 2.82Å; S971-N973 VanDerWaalsContact O-N 3.08Å
974	Q	86.5	Confident	79.4	Confident	90 Å²	90	57.4 Å²	57.4	42%	0.421	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-100.8	4.2	177.1	-57.1	174.8	-74.7	0	0	112.5	V945 T946 S971 R972	V945-Q974 CarbonylContact C-O 3.58Å; V945-Q974 WeakPolarHBondContact CA-O 3.48Å; T946-Q974 PolarHBondContact N-O 2.99Å; T946-Q974 WeakPolarHBondContact OG1-CA 3.28Å; T946-Q974 PolarHBondContact OG1-O 3.39Å; S971-Q974 WeakPolarHBondContact O-CB 3.42Å; S971-Q974 PolarHBondContact O-N 3.35Å; R972-Q974 PolarHBondContact O-N 3.03Å; R972-Q974 VanDerWaalsContact O-N 3.16Å
975	L	90.5	Very high	82.2	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.7	-175.7	-59.3	177.5	0	0	0	110.7	G767 T769 L906 T943 L970 R972 P1024 F1026	G767-L975 PolarHBondContact N-O 2.97Å; T769-L975 HydrophobicContact CG2-CD1 4.32Å; L906-L975 HydrophobicContact CD1-CD2 3.71Å; T943-L975 HydrophobicContact CG2-CB 4.46Å; T943-L975 HydrophobicContact CG2-CD2 4.36Å; L970-L975 HydrophobicContact CB-CD2 4.33Å; L970-L975 HydrophobicContact CD1-CD2 4.25Å; R972-L975 PolarHBondContact O-N 3.39Å; R972-L975 VanDerWaalsContact O-N 3.08Å; L975-P1024 HydrophobicContact CD1-CB 4.07Å; L975-P1024 HydrophobicContact CD1-CG 4.06Å; L975-F1026 HydrophobicContact CD1-CE1 4.46Å; L975-F1026 HydrophobicContact CD1-CZ 4.1Å; L975-F1026 HydrophobicContact CD2-CZ 4.49Å
976	C	92.3	Very high	84.6	Confident	11 Å²	11	50.8 Å²	50.8	7%	0.074	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.8	161.3	69.5	0	0	0	0	110.8	V764 T943 E944 T946	V764-C976 HydrophobicContact CG1-CB 3.92Å; T943-C976 WeakPolarHBondContact CA-O 3.47Å; E944-C976 PolarHBondContact N-O 3.18Å; E944-C976 PolarHBondContact O-N 2.83Å; T946-C976 HydrophobicContact CG2-CB 3.87Å
977	T	93.2	Very high	86.4	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.3	168.6	-68.6	0	0	0	0	109.2	V764 V765 V768 T769 A770 M773 C941 Q942	V764-T977 WeakPolarHBondContact CA-O 3.43Å; V765-T977 PolarHBondContact N-O 2.99Å; V765-T977 PolarHBondContact O-N 2.79Å; V768-T977 PolarHBondContact O-OG1 3.35Å; T769-T977 VanDerWaalsContact CA-OG1 3.23Å; T769-T977 WeakPolarHBondContact CA-OG1 3.48Å; T769-T977 PolarHBondContact O-OG1 2.74Å; A770-T977 HydrophobicContact CB-CG2 4.33Å; A770-T977 PolarHBondContact N-OG1 2.76Å; A770-T977 VanDerWaalsContact N-OG1 3.13Å; M773-T977 HydrophobicContact CG-CG2 4.13Å; C941-T977 HydrophobicContact CB-CG2 3.74Å; Q942-T977 CarbonylContact O-C 3.54Å; Q942-T977 VanDerWaalsContact O-CA 3.27Å; Q942-T977 WeakPolarHBondContact O-CA 3.48Å
978	R	92.4	Very high	87.7	Confident	57 Å²	57	45.4 Å²	45.4	22%	0.215	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	121.1	163.2	-63.5	-148.5	-72.8	-94.1	-2.1	108.6	F678 V764 C941 Q942 E944	F678-R978 HydrophobicContact CD1-CB 3.86Å; F678-R978 HydrophobicContact CE1-CB 3.5Å; F678-R978 HydrophobicContact CZ-CB 4.05Å; V764-R978 HydrophobicContact CG1-CG 4.22Å; V764-R978 HydrophobicContact CG2-CG 4.05Å; C941-R978 CarbonylContact C-O 3.57Å; C941-R978 WeakPolarHBondContact CA-O 3.33Å; Q942-R978 PolarHBondContact N-O 3.07Å; Q942-R978 PolarHBondContact O-N 3.09Å; E944-R978 VanDerWaalsContact CD-NH1 3.3Å; E944-R978 IonicContact OE1-CZ 3.31Å; E944-R978 IonicContact OE1-NE 3.73Å; E944-R978 PolarHBondContact OE1-NE 2.97Å; E944-R978 IonicContact OE1-NH1 3.29Å; E944-R978 PolarHBondContact OE1-NH1 3.35Å; E944-R978 IonicContact OE1-NH2 3.51Å; E944-R978 PolarHBondContact OE1-NH2 3.41Å; E944-R978 IonicContact OE2-CZ 3.19Å; E944-R978 IonicContact OE2-NH1 2.7Å; E944-R978 PolarHBondContact OE2-NH1 3.3Å; E944-R978 IonicContact OE2-NH2 2.8Å; E944-R978 PolarHBondContact OE2-NH2 3.24Å
979	L	93.7	Very high	89.1	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	148.3	175.7	74.4	90	0	0	0	111.9	I762 H763 V765 M773 L939 Y940 C941 L1008	I762-L979 WeakPolarHBondContact CA-O 3.49Å; H763-L979 HydrophobicContact CB-CD1 4Å; H763-L979 HydrophobicContact CB-CD2 4.15Å; H763-L979 HydrophobicContact CB-CG 3.9Å; H763-L979 PolarHBondContact N-O 3.43Å; H763-L979 PolarHBondContact O-N 2.86Å; V765-L979 HydrophobicContact CG2-CD2 3.78Å; M773-L979 HydrophobicContact CE-CD2 3.48Å; M773-L979 VanDerWaalsContact CE-CD2 3.48Å; L939-L979 HydrophobicContact CD1-CB 4.15Å; L939-L979 HydrophobicContact CD1-CD1 3.93Å; L939-L979 HydrophobicContact CD1-CG 4.43Å; Y940-L979 CarbonylContact O-C 3.57Å; Y940-L979 VanDerWaalsContact O-CA 3.23Å; Y940-L979 WeakPolarHBondContact O-CA 3.45Å; C941-L979 VanDerWaalsContact SG-CB 3.56Å; L979-L1008 HydrophobicContact CD1-CD2 4.26Å
980	I	93.3	Very high	90.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125	163.5	-56.7	176	0	0	0	107.1	F672 T675 I677 F678 Q760 A761 Y940 M982	F672-I980 HydrophobicContact CD1-CD1 4.29Å; F672-I980 HydrophobicContact CE1-CB 4.1Å; F672-I980 HydrophobicContact CE1-CD1 4.36Å; F672-I980 HydrophobicContact CE1-CG2 3.88Å; T675-I980 HydrophobicContact CG2-CD1 4.23Å; I677-I980 HydrophobicContact CB-CD1 4.25Å; I677-I980 HydrophobicContact CG2-CD1 4.14Å; F678-I980 HydrophobicContact CD1-CD1 4.37Å; F678-I980 HydrophobicContact CD1-CG1 4.35Å; F678-I980 HydrophobicContact CE1-CD1 3.82Å; F678-I980 HydrophobicContact CE1-CG1 3.51Å; F678-I980 HydrophobicContact CE2-CD1 4.04Å; F678-I980 HydrophobicContact CE2-CG1 4.47Å; F678-I980 HydrophobicContact CZ-CD1 3.65Å; F678-I980 HydrophobicContact CZ-CG1 3.6Å; Q760-I980 HydrophobicContact CG-CG2 3.92Å; Q760-I980 VanDerWaalsContact NE2-CG2 3.3Å; A761-I980 CarbonylContact O-C 3.6Å; A761-I980 VanDerWaalsContact O-CA 3.3Å; A761-I980 WeakPolarHBondContact O-CA 3.34Å; Y940-I980 PolarHBondContact N-O 3.45Å; Y940-I980 PolarHBondContact O-N 3.03Å; I980-M982 HydrophobicContact CG2-CG 4.23Å
981	Y	95.4	Very high	90.7	Very high	19 Å²	19	42.3 Å²	42.3	8%	0.075	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.3	173.7	174	-93.7	0	0	0	108.8	L759 Q760 A761 F777 V937 V938 L939 A983 Y1004 F1007 L1008	L759-Y981 HydrophobicContact CD2-CD1 4.38Å; L759-Y981 HydrophobicContact CD2-CE1 4.36Å; Q760-Y981 CarbonylContact C-O 3.54Å; Q760-Y981 WeakPolarHBondContact CA-O 3.04Å; A761-Y981 PolarHBondContact N-O 2.9Å; A761-Y981 PolarHBondContact O-N 2.85Å; F777-Y981 HydrophobicContact CE2-CE2 4.39Å; F777-Y981 HydrophobicContact CZ-CE2 4.13Å; V937-Y981 HydrophobicContact CG1-CD2 4.48Å; V937-Y981 HydrophobicContact CG1-CE2 3.55Å; V938-Y981 WeakPolarHBondContact O-CA 3.31Å; L939-Y981 HydrophobicContact CD1-CD2 4.45Å; Y981-A983 HydrophobicContact CE1-CB 3.77Å; Y981-Y1004 AromaticContact CE1-CD1 3.88Å; Y981-Y1004 HydrophobicContact CE1-CD1 3.88Å; Y981-Y1004 AromaticContact CE1-CE1 3.79Å; Y981-Y1004 HydrophobicContact CE1-CE1 3.79Å; Y981-F1007 HydrophobicContact CD1-CE1 4.38Å; Y981-F1007 AromaticContact CD2-CE1 3.92Å; Y981-F1007 HydrophobicContact CD2-CE1 3.92Å; Y981-F1007 HydrophobicContact CD2-CZ 4.38Å; Y981-F1007 HydrophobicContact CE1-CE1 4.12Å; Y981-F1007 AromaticContact CE2-CE1 3.62Å; Y981-F1007 HydrophobicContact CE2-CE1 3.62Å; Y981-F1007 HydrophobicContact CE2-CZ 4.03Å; Y981-F1007 HydrophobicContact CG-CE1 4.28Å; Y981-F1007 AromaticContact CZ-CE1 3.73Å; Y981-L1008 HydrophobicContact CG-CD2 4.21Å
982	M	93.9	Very high	91	Very high	45 Å²	45	41.2 Å²	41.2	22%	0.222	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.8	174.8	-70.2	-178.9	67	0	0	109.9	F672 L759 Q760 V937 V938 I980	F672-M982 HydrophobicContact CE1-SD 3.89Å; F672-M982 HydrophobicContact CZ-CG 4.25Å; F672-M982 HydrophobicContact CZ-SD 3.55Å; F672-M982 VanDerWaalsContact CZ-SD 3.55Å; L759-M982 WeakPolarHBondContact O-CA 3.33Å; Q760-M982 HydrophobicContact CB-CG 4.2Å; Q760-M982 HydrophobicContact CG-CG 3.82Å; V937-M982 CarbonylContact C-O 3.55Å; V937-M982 VanDerWaalsContact CA-O 3.3Å; V937-M982 WeakPolarHBondContact CA-O 3.39Å; V938-M982 PolarHBondContact N-O 3.13Å; V938-M982 PolarHBondContact O-N 3.37Å; I980-M982 HydrophobicContact CG2-CG 4.23Å
983	A	95.2	Very high	91	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.017	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	111.4	175.4	0	0	0	0	0	110.8	L759 V937 Y981 I985 Y1004	L759-A983 PolarHBondContact N-O 2.94Å; L759-A983 PolarHBondContact O-N 3.33Å; V937-A983 HydrophobicContact CG2-CB 4.06Å; Y981-A983 HydrophobicContact CE1-CB 3.77Å; A983-I985 HydrophobicContact CB-CG1 4.39Å; A983-Y1004 HydrophobicContact CB-CE1 4.06Å
984	N	93.9	Very high	91.1	Very high	47 Å²	47	39.1 Å²	39.1	25%	0.251	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	110.2	168	-66.9	-20.4	0	0	0	107.1	P758 E936	P758-N984 VanDerWaalsContact CB-OD1 3.31Å; P758-N984 WeakPolarHBondContact CB-OD1 3.42Å; E936-N984 HydrophobicContact CB-CB 4.17Å; E936-N984 PolarHBondContact N-O 3.09Å; E936-N984 PolarHBondContact O-N 2.91Å; E936-N984 PolarHBondContact OE2-ND2 3.01Å
985	I	94.4	Very high	91.1	Very high	46 Å²	46	36.5 Å²	36.5	24%	0.236	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.3	-173.1	-53.7	-62.4	0	0	0	109.7	L933 L935 V937 A983	L933-I985 HydrophobicContact CD1-CG2 4.18Å; L935-I985 HydrophobicContact CB-CD1 3.61Å; V937-I985 HydrophobicContact CG2-CD1 3.72Å; A983-I985 HydrophobicContact CB-CG1 4.39Å
986	N	93.5	Very high	91	Very high	74 Å²	74	38.8 Å²	38.8	40%	0.396	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	115.5	166.4	-177.6	-25.1	0	0	0	108.6	L756 L933 G934 G988	L756-N986 HydrophobicContact CD2-CB 3.82Å; L933-N986 CarbonylContact C-O 3.59Å; L933-N986 VanDerWaalsContact CA-O 3.27Å; L933-N986 WeakPolarHBondContact CA-O 3.43Å; L933-N986 VanDerWaalsContact CB-O 3.27Å; L933-N986 WeakPolarHBondContact CB-O 3.29Å; G934-N986 PolarHBondContact N-O 2.96Å; G934-N986 PolarHBondContact O-N 2.9Å; N986-G988 PolarHBondContact O-N 3.43Å; N986-G988 PolarHBondContact OD1-N 3.21Å
987	P	92.4	Very high	90.9	Very high	9 Å²	9	41 Å²	41	6%	0.058	23%	0.232	C	C	.	.			trans	-72.5	7.6	-176.8	31.8	-37.4	0	0	0	114.7	V754 V755 R820 G989 V991 L996	V754-P987 HydrophobicContact CG1-CG 3.52Å; V755-P987 WeakPolarHBondContact O-CD 3.32Å; R820-P987 PolarHBondContact NE-O 2.84Å; R820-P987 PolarHBondContact NH2-O 3.39Å; P987-G989 PolarHBondContact O-N 3.22Å; P987-G989 VanDerWaalsContact O-N 3.16Å; P987-V991 HydrophobicContact CB-CG2 3.71Å; P987-V991 HydrophobicContact CG-CG2 4.11Å; P987-L996 HydrophobicContact CG-CD2 4.5Å
988	G	90.6	Very high	90.7	Very high	39 Å²	39	44.6 Å²	44.6	40%	0.402	26%	0.257	S	S	.	.	S	Bend	trans	73.4	3.8	171.1	0	0	0	0	0	115.5	I931 R932 N986	I931-G988 WeakPolarHBondContact CG2-O 3.33Å; R932-G988 VanDerWaalsContact O-CA 3.3Å; R932-G988 WeakPolarHBondContact O-CA 3.36Å; N986-G988 PolarHBondContact O-N 3.43Å; N986-G988 PolarHBondContact OD1-N 3.21Å
989	G	87.3	Confident	90.6	Very high	21 Å²	21	43.9 Å²	43.9	22%	0.216	26%	0.258	C	S	.	.	S	Bend	trans	157.4	-178.4	-172.7	0	0	0	0	0	111	R820 P987	R820-G989 PolarHBondContact NH2-O 3.43Å; P987-G989 PolarHBondContact O-N 3.22Å; P987-G989 VanDerWaalsContact O-N 3.16Å
990	W	86.5	Confident	90.4	Very high	180 Å²	180	44.8 Å²	44.8	68%	0.682	27%	0.265	S	S	*	.			trans	-55.7	138	-169.3	-172.5	87.6	0	0	0	114.6	R820 P992	R820-W990 PolarHBondContact NH2-O 3.47Å; W990-P992 HydrophobicContact CH2-CG 3.65Å; W990-P992 HydrophobicContact CZ2-CG 4.24Å; W990-P992 HydrophobicContact CZ3-CG 3.93Å
991	V	86.4	Confident	90.2	Very high	20 Å²	20	49.3 Å²	49.3	12%	0.121	29%	0.286	C	S	.	.			trans	-149.6	138.9	173.4	-179.7	0	0	0	0	108.3	T817 R820 P987 A993 L996	T817-V991 HydrophobicContact CG2-CB 4.45Å; T817-V991 HydrophobicContact CG2-CG1 4.16Å; T817-V991 HydrophobicContact CG2-CG2 4.41Å; R820-V991 VanDerWaalsContact NH2-CG2 3.32Å; P987-V991 HydrophobicContact CB-CG2 3.71Å; P987-V991 HydrophobicContact CG-CG2 4.11Å; V991-A993 PolarHBondContact O-N 3.07Å; V991-L996 HydrophobicContact CG1-CB 3.83Å; V991-L996 HydrophobicContact CG1-CD2 4.25Å; V991-L996 HydrophobicContact CG1-CG 4.43Å
992	P	87.7	Confident	90	Very high	33 Å²	33	55.9 Å²	55.9	21%	0.214	31%	0.311	C	S	.	.			trans	-60.1	120	172.9	-22.6	32.4	0	0	0	112.3	P816 W990 S994 G995 L996	P816-P992 HydrophobicContact CG-CG 4.23Å; W990-P992 HydrophobicContact CH2-CG 3.65Å; W990-P992 HydrophobicContact CZ2-CG 4.24Å; W990-P992 HydrophobicContact CZ3-CG 3.93Å; P992-S994 PolarHBondContact O-N 3.32Å; P992-G995 PolarHBondContact O-N 2.75Å; P992-G995 VanDerWaalsContact O-N 3.09Å; P992-L996 PolarHBondContact O-N 3.47Å
993	A	87	Confident	89.9	Confident	38 Å²	38	55 Å²	55	31%	0.314	31%	0.306	S	S	.	.	H	α-helix	trans	-55.4	-45.8	-175.6	0	0	0	0	0	113.7	V755 V991 L996 R997	V755-A993 HydrophobicContact CG2-CB 3.46Å; V755-A993 VanDerWaalsContact CG2-CB 3.46Å; V991-A993 PolarHBondContact O-N 3.07Å; A993-L996 PolarHBondContact O-N 3.07Å; A993-R997 WeakPolarHBondContact O-CB 3.33Å; A993-R997 VanDerWaalsContact O-CG 3.28Å; A993-R997 WeakPolarHBondContact O-CG 3.26Å; A993-R997 PolarHBondContact O-N 3.44Å
994	S	86.7	Confident	89.9	Confident	88 Å²	88	57.1 Å²	57.1	62%	0.615	31%	0.314	S	S	*	.	H	α-helix	trans	-63.9	-40.2	177.2	50.2	0	0	0	0	112.4	P992 S998	P992-S994 PolarHBondContact O-N 3.32Å; S994-S998 VanDerWaalsContact O-CB 3.31Å; S994-S998 WeakPolarHBondContact O-CB 3.4Å; S994-S998 PolarHBondContact O-N 2.85Å; S994-S998 PolarHBondContact O-OG 3.43Å
995	G	86.5	Confident	89.9	Confident	35 Å²	35	55.4 Å²	55.4	36%	0.361	31%	0.306	S	S	.	.	H	α-helix	trans	-64	-48.3	176.4	0	0	0	0	0	112.3	P992 S998 L999	P992-G995 PolarHBondContact O-N 2.75Å; P992-G995 VanDerWaalsContact O-N 3.09Å; G995-S998 PolarHBondContact O-N 2.72Å; G995-L999 WeakPolarHBondContact O-CB 3.37Å; G995-L999 PolarHBondContact O-N 3.03Å
996	L	88.6	Confident	89.9	Confident	48 Å²	48	59.5 Å²	59.5	25%	0.251	32%	0.318	S	S	.	.	H	α-helix	trans	-64.6	-43.2	178.5	-173.3	57.3	0	0	0	112.1	V755 P987 V991 P992 A993 S998 L999 A1000	V755-L996 HydrophobicContact CB-CD2 4.11Å; V755-L996 HydrophobicContact CG1-CD2 4.11Å; P987-L996 HydrophobicContact CG-CD2 4.5Å; V991-L996 HydrophobicContact CG1-CB 3.83Å; V991-L996 HydrophobicContact CG1-CD2 4.25Å; V991-L996 HydrophobicContact CG1-CG 4.43Å; P992-L996 PolarHBondContact O-N 3.47Å; A993-L996 PolarHBondContact O-N 3.07Å; L996-S998 PolarHBondContact O-N 3.33Å; L996-L999 PolarHBondContact O-N 2.94Å; L996-A1000 WeakPolarHBondContact O-CB 3.4Å; L996-A1000 PolarHBondContact O-N 3.11Å
997	R	89.7	Confident	90	Very high	58 Å²	58	56.7 Å²	56.7	22%	0.219	30%	0.302	C	S	.	.	H	α-helix	trans	-61.5	-42.9	176.4	-76.9	170.6	177	156.8	6.6	112.4	D757 A993 Q1001	D757-R997 IonicContact OD1-CZ 2.75Å; D757-R997 IonicContact OD1-NE 2.72Å; D757-R997 IonicContact OD1-NH2 2.77Å; D757-R997 PolarHBondContact OD1-NH2 2.89Å; D757-R997 WeakPolarHBondContact OD2-CD 3.37Å; D757-R997 WeakPolarHBondContact OD2-CG 3.46Å; D757-R997 IonicContact OD2-CZ 3.48Å; D757-R997 IonicContact OD2-NE 3.38Å; D757-R997 PolarHBondContact OD2-NE 3.33Å; D757-R997 IonicContact OD2-NH2 2.75Å; A993-R997 WeakPolarHBondContact O-CB 3.33Å; A993-R997 VanDerWaalsContact O-CG 3.28Å; A993-R997 WeakPolarHBondContact O-CG 3.26Å; A993-R997 PolarHBondContact O-N 3.44Å; R997-Q1001 VanDerWaalsContact O-CB 3.3Å; R997-Q1001 WeakPolarHBondContact O-CB 3.5Å; R997-Q1001 PolarHBondContact O-N 2.74Å
998	S	89.1	Confident	90.1	Very high	75 Å²	75	56.4 Å²	56.4	52%	0.524	30%	0.3	S	S	.	.	H	α-helix	trans	-67	-38.7	176.6	-55.9	0	0	0	0	112.2	S994 G995 L996 R1002	S994-S998 VanDerWaalsContact O-CB 3.31Å; S994-S998 WeakPolarHBondContact O-CB 3.4Å; S994-S998 PolarHBondContact O-N 2.85Å; S994-S998 PolarHBondContact O-OG 3.43Å; G995-S998 PolarHBondContact O-N 2.72Å; L996-S998 PolarHBondContact O-N 3.33Å; S998-R1002 PolarHBondContact O-N 2.93Å
999	L	89.9	Confident	90.3	Very high	43 Å²	43	58.6 Å²	58.6	23%	0.225	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-49.9	175.8	-175.2	71.1	0	0	0	111.2	V814 G995 L996 Q1001 R1002 E1003	V814-L999 HydrophobicContact CG1-CD2 4.07Å; V814-L999 HydrophobicContact CG2-CD2 3.65Å; G995-L999 WeakPolarHBondContact O-CB 3.37Å; G995-L999 PolarHBondContact O-N 3.03Å; L996-L999 PolarHBondContact O-N 2.94Å; L999-Q1001 VanDerWaalsContact C-N 3.33Å; L999-Q1001 PolarHBondContact O-N 2.87Å; L999-R1002 PolarHBondContact O-N 2.94Å; L999-E1003 HydrophobicContact CD1-CG 3.68Å; L999-E1003 HydrophobicContact CG-CG 4.11Å; L999-E1003 WeakPolarHBondContact O-CG 3.35Å; L999-E1003 PolarHBondContact O-N 2.98Å
1000	A	90	Very high	90.6	Very high	20 Å²	20	63.6 Å²	63.6	17%	0.165	31%	0.311	C	S	.	.	H	α-helix	trans	-57	-46.3	177.9	0	0	0	0	0	111.7	L996 R1002 Y1004	L996-A1000 WeakPolarHBondContact O-CB 3.4Å; L996-A1000 PolarHBondContact O-N 3.11Å; A1000-R1002 PolarHBondContact O-N 2.75Å; A1000-Y1004 HydrophobicContact CB-CD2 3.85Å; A1000-Y1004 HydrophobicContact CB-CE2 3.83Å; A1000-Y1004 VanDerWaalsContact O-CD2 3.31Å; A1000-Y1004 WeakPolarHBondContact O-CD2 3.26Å; A1000-Y1004 PolarHBondContact O-N 2.88Å
1001	Q	89.2	Confident	91.1	Very high	96 Å²	96	55.1 Å²	55.1	45%	0.449	28%	0.279	S	S	.	.	H	α-helix	trans	-61.7	-25.8	177.1	179.3	160.8	11.3	0	0	113.4	V735 R997 L999 P1005	V735-Q1001 HydrophobicContact CG1-CB 3.93Å; V735-Q1001 HydrophobicContact CG1-CG 3.6Å; R997-Q1001 VanDerWaalsContact O-CB 3.3Å; R997-Q1001 WeakPolarHBondContact O-CB 3.5Å; R997-Q1001 PolarHBondContact O-N 2.74Å; L999-Q1001 VanDerWaalsContact C-N 3.33Å; L999-Q1001 PolarHBondContact O-N 2.87Å; Q1001-P1005 WeakPolarHBondContact O-CD 3.37Å; Q1001-P1005 WeakPolarHBondContact O-CG 3.29Å
1002	R	91.1	Very high	91.5	Very high	157 Å²	157	54.4 Å²	54.4	59%	0.592	28%	0.275	S	S	*	.	H	α-helix	trans	-89.6	-46.9	177.7	-170.5	177.9	71.5	-153.7	0.4	113.3	S998 L999 A1000 R1006	S998-R1002 PolarHBondContact O-N 2.93Å; L999-R1002 PolarHBondContact O-N 2.94Å; A1000-R1002 PolarHBondContact O-N 2.75Å; R1002-R1006 WeakPolarHBondContact O-CB 3.38Å
1003	E	93.2	Very high	91.9	Very high	26 Å²	26	55.9 Å²	55.9	12%	0.121	28%	0.283	C	S	.	.	H	α-helix	trans	-87.7	-31.3	-168.1	-51.3	-55.3	169.6	0	0	113.8	F788 L999 R1006 F1007	F788-E1003 HydrophobicContact CE2-CB 4.11Å; F788-E1003 HydrophobicContact CE2-CG 4.29Å; F788-E1003 WeakPolarHBondContact CE2-OE2 3.31Å; F788-E1003 HydrophobicContact CZ-CB 4.18Å; L999-E1003 HydrophobicContact CD1-CG 3.68Å; L999-E1003 HydrophobicContact CG-CG 4.11Å; L999-E1003 WeakPolarHBondContact O-CG 3.35Å; L999-E1003 PolarHBondContact O-N 2.98Å; E1003-R1006 WeakPolarHBondContact O-CB 3.47Å; E1003-R1006 PolarHBondContact O-N 2.89Å; E1003-R1006 IonicContact OE1-NH1 3.18Å; E1003-R1006 WeakPolarHBondContact OE2-CD 3.46Å; E1003-R1006 IonicContact OE2-CZ 2.67Å; E1003-R1006 IonicContact OE2-NE 3Å; E1003-R1006 IonicContact OE2-NH1 2.68Å; E1003-R1006 PolarHBondContact OE2-NH1 3.21Å; E1003-F1007 WeakPolarHBondContact O-CB 3.44Å; E1003-F1007 PolarHBondContact O-N 2.85Å
1004	Y	94.1	Very high	92.3	Very high	46 Å²	46	54.9 Å²	54.9	18%	0.18	27%	0.272	C	S	.	.	H	α-helix	trans	-63.7	-44.7	177.9	-76.1	-64.5	0	0	0	114	L759 Y981 A983 A1000 R1006 F1007 L1008	L759-Y1004 HydrophobicContact CD1-CD2 3.42Å; L759-Y1004 VanDerWaalsContact CD1-CD2 3.42Å; L759-Y1004 HydrophobicContact CD1-CE2 3.76Å; L759-Y1004 HydrophobicContact CD1-CG 4.03Å; L759-Y1004 HydrophobicContact CD2-CD1 4.01Å; L759-Y1004 HydrophobicContact CD2-CD2 4.01Å; L759-Y1004 HydrophobicContact CD2-CE1 4.21Å; L759-Y1004 HydrophobicContact CD2-CE2 4.2Å; L759-Y1004 HydrophobicContact CD2-CG 3.9Å; L759-Y1004 HydrophobicContact CG-CD2 4.28Å; L759-Y1004 HydrophobicContact CG-CE2 4.38Å; Y981-Y1004 AromaticContact CE1-CD1 3.88Å; Y981-Y1004 HydrophobicContact CE1-CD1 3.88Å; Y981-Y1004 AromaticContact CE1-CE1 3.79Å; Y981-Y1004 HydrophobicContact CE1-CE1 3.79Å; A983-Y1004 HydrophobicContact CB-CE1 4.06Å; A1000-Y1004 HydrophobicContact CB-CD2 3.85Å; A1000-Y1004 HydrophobicContact CB-CE2 3.83Å; A1000-Y1004 VanDerWaalsContact O-CD2 3.31Å; A1000-Y1004 WeakPolarHBondContact O-CD2 3.26Å; A1000-Y1004 PolarHBondContact O-N 2.88Å; Y1004-R1006 VanDerWaalsContact C-N 3.29Å; Y1004-R1006 PolarHBondContact O-N 3.27Å; Y1004-F1007 PolarHBondContact O-N 3.41Å; Y1004-L1008 WeakPolarHBondContact O-CG 3.43Å; Y1004-L1008 PolarHBondContact O-N 3.5Å
1005	P	93.8	Very high	92.8	Very high	11 Å²	11	50.7 Å²	50.7	7%	0.071	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-38.6	172.8	-17.1	27.1	0	0	0	112.3	V736 M741 I743 Q1001 L1008 K1009	V736-P1005 HydrophobicContact CB-CG 4.29Å; V736-P1005 HydrophobicContact CG1-CB 4.37Å; V736-P1005 HydrophobicContact CG1-CG 4.23Å; V736-P1005 HydrophobicContact CG2-CG 3.74Å; M741-P1005 HydrophobicContact CE-CB 3.81Å; I743-P1005 HydrophobicContact CD1-CB 4.15Å; I743-P1005 HydrophobicContact CD1-CG 3.82Å; Q1001-P1005 WeakPolarHBondContact O-CD 3.37Å; Q1001-P1005 WeakPolarHBondContact O-CG 3.29Å; P1005-L1008 PolarHBondContact O-N 3.34Å; P1005-K1009 WeakPolarHBondContact O-CB 3.31Å; P1005-K1009 WeakPolarHBondContact O-CG 3.37Å; P1005-K1009 PolarHBondContact O-N 2.89Å
1006	R	94.3	Very high	93.1	Very high	132 Å²	132	52.8 Å²	52.8	50%	0.498	24%	0.241	S	C	.	.	H	α-helix	trans	-66.5	-41.9	180	-171.7	-172.2	-174.4	-167.5	0.8	111.9	F788 R1002 E1003 Y1004 R1010	F788-R1006 HydrophobicContact CE1-CG 4.16Å; F788-R1006 HydrophobicContact CZ-CB 4.12Å; F788-R1006 HydrophobicContact CZ-CG 3.98Å; R1002-R1006 WeakPolarHBondContact O-CB 3.38Å; E1003-R1006 WeakPolarHBondContact O-CB 3.47Å; E1003-R1006 PolarHBondContact O-N 2.89Å; E1003-R1006 IonicContact OE1-NH1 3.18Å; E1003-R1006 WeakPolarHBondContact OE2-CD 3.46Å; E1003-R1006 IonicContact OE2-CZ 2.67Å; E1003-R1006 IonicContact OE2-NE 3Å; E1003-R1006 IonicContact OE2-NH1 2.68Å; E1003-R1006 PolarHBondContact OE2-NH1 3.21Å; Y1004-R1006 VanDerWaalsContact C-N 3.29Å; Y1004-R1006 PolarHBondContact O-N 3.27Å; R1006-R1010 VanDerWaalsContact O-CB 3.24Å; R1006-R1010 WeakPolarHBondContact O-CB 3.45Å; R1006-R1010 PolarHBondContact O-N 3.05Å
1007	F	95	Very high	93.4	Very high	15 Å²	15	57.1 Å²	57.1	7%	0.066	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-56.5	171.1	156.6	-112.7	0	0	0	111.1	F777 W786 F788 Y981 E1003 Y1004 K1009 R1010 F1011	F777-F1007 HydrophobicContact CD2-CZ 4.33Å; F777-F1007 HydrophobicContact CE2-CE2 4.32Å; F777-F1007 AromaticContact CE2-CZ 3.85Å; F777-F1007 HydrophobicContact CE2-CZ 3.85Å; W786-F1007 HydrophobicContact CE3-CD2 4.27Å; W786-F1007 AromaticContact CE3-CE2 3.99Å; W786-F1007 HydrophobicContact CE3-CE2 3.99Å; W786-F1007 HydrophobicContact CH2-CE2 4.34Å; W786-F1007 HydrophobicContact CZ3-CD2 4.1Å; W786-F1007 AromaticContact CZ3-CE2 3.6Å; W786-F1007 HydrophobicContact CZ3-CE2 3.6Å; F788-F1007 HydrophobicContact CE1-CB 4.14Å; F788-F1007 HydrophobicContact CZ-CB 4.33Å; Y981-F1007 HydrophobicContact CD1-CE1 4.38Å; Y981-F1007 AromaticContact CD2-CE1 3.92Å; Y981-F1007 HydrophobicContact CD2-CE1 3.92Å; Y981-F1007 HydrophobicContact CD2-CZ 4.38Å; Y981-F1007 HydrophobicContact CE1-CE1 4.12Å; Y981-F1007 AromaticContact CE2-CE1 3.62Å; Y981-F1007 HydrophobicContact CE2-CE1 3.62Å; Y981-F1007 HydrophobicContact CE2-CZ 4.03Å; Y981-F1007 HydrophobicContact CG-CE1 4.28Å; Y981-F1007 AromaticContact CZ-CE1 3.73Å; E1003-F1007 WeakPolarHBondContact O-CB 3.44Å; E1003-F1007 PolarHBondContact O-N 2.85Å; Y1004-F1007 PolarHBondContact O-N 3.41Å; F1007-K1009 VanDerWaalsContact C-N 3.31Å; F1007-K1009 PolarHBondContact O-N 3.15Å; F1007-R1010 PolarHBondContact O-N 3.22Å; F1007-F1011 HydrophobicContact CD2-CB 4.15Å; F1007-F1011 HydrophobicContact CE2-CB 3.85Å; F1007-F1011 HydrophobicContact CE2-CG 4.09Å; F1007-F1011 VanDerWaalsContact O-CB 3.24Å; F1007-F1011 WeakPolarHBondContact O-CB 3.16Å; F1007-F1011 PolarHBondContact O-N 3.3Å
1008	L	95.1	Very high	93.6	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-38.2	-176.1	-70	169.9	0	0	0	112.6	M741 I743 A761 L979 Y981 Y1004 P1005 S1012	M741-L1008 HydrophobicContact SD-CB 3.64Å; M741-L1008 HydrophobicContact SD-CD1 3.97Å; M741-L1008 HydrophobicContact SD-CG 4.48Å; I743-L1008 HydrophobicContact CD1-CD1 3.89Å; I743-L1008 HydrophobicContact CG1-CD1 4.41Å; A761-L1008 HydrophobicContact CB-CD1 3.41Å; A761-L1008 VanDerWaalsContact CB-CD1 3.41Å; L979-L1008 HydrophobicContact CD1-CD2 4.26Å; Y981-L1008 HydrophobicContact CG-CD2 4.21Å; Y1004-L1008 WeakPolarHBondContact O-CG 3.43Å; Y1004-L1008 PolarHBondContact O-N 3.5Å; P1005-L1008 PolarHBondContact O-N 3.34Å; L1008-S1012 VanDerWaalsContact O-CB 3.28Å; L1008-S1012 WeakPolarHBondContact O-CB 3.19Å; L1008-S1012 PolarHBondContact O-N 3.04Å; L1008-S1012 VanDerWaalsContact O-N 3.11Å; L1008-S1012 PolarHBondContact O-OG 3.12Å
1009	K	94.3	Very high	93.8	Very high	85 Å²	85	53.8 Å²	53.8	37%	0.37	24%	0.239	S	C	.	.	H	α-helix	trans	-63.7	-55.1	171.4	-77.1	169.3	167.1	169.5	0	112	E738 M741 P1005 F1007 F1011 S1012 T1013	E738-K1009 IonicContact OE1-NZ 3.38Å; E738-K1009 PolarHBondContact OE1-NZ 3.31Å; E738-K1009 VanDerWaalsContact OE2-CE 3.31Å; E738-K1009 WeakPolarHBondContact OE2-CE 3.39Å; E738-K1009 IonicContact OE2-NZ 2.88Å; E738-K1009 PolarHBondContact OE2-NZ 2.9Å; M741-K1009 HydrophobicContact CE-CD 4.27Å; M741-K1009 HydrophobicContact CE-CG 4.15Å; P1005-K1009 WeakPolarHBondContact O-CB 3.31Å; P1005-K1009 WeakPolarHBondContact O-CG 3.37Å; P1005-K1009 PolarHBondContact O-N 2.89Å; F1007-K1009 VanDerWaalsContact C-N 3.31Å; F1007-K1009 PolarHBondContact O-N 3.15Å; K1009-F1011 PolarHBondContact O-N 2.7Å; K1009-S1012 PolarHBondContact O-N 3.42Å; K1009-S1012 PolarHBondContact O-OG 3.49Å; K1009-T1013 WeakPolarHBondContact O-CB 3.45Å; K1009-T1013 PolarHBondContact O-N 2.82Å; K1009-T1013 PolarHBondContact O-OG1 3.14Å; K1009-T1013 VanDerWaalsContact O-OG1 3.14Å
1010	R	94.8	Very high	93.7	Very high	127 Å²	127	58.3 Å²	58.3	48%	0.479	26%	0.259	S	S	.	.	H	α-helix	trans	-60.4	-44.8	-177.8	-177.9	176.6	171.7	89.6	3.2	111.9	E785 W786 R1006 F1007 Y1014	E785-R1010 PolarHBondContact O-NH2 3.37Å; W786-R1010 VanDerWaalsContact O-CD 3.23Å; W786-R1010 WeakPolarHBondContact O-CD 3.47Å; W786-R1010 PolarHBondContact O-NE 2.97Å; R1006-R1010 VanDerWaalsContact O-CB 3.24Å; R1006-R1010 WeakPolarHBondContact O-CB 3.45Å; R1006-R1010 PolarHBondContact O-N 3.05Å; F1007-R1010 PolarHBondContact O-N 3.22Å; R1010-Y1014 VanDerWaalsContact O-CB 3.27Å; R1010-Y1014 WeakPolarHBondContact O-CB 3.33Å; R1010-Y1014 PolarHBondContact O-N 2.85Å
1011	F	96.7	Very high	93.5	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-65.3	-49.1	-179.8	178.3	-112.6	0	0	0	112.2	M773 F777 W786 L939 F1007 K1009 T1013 Y1014 V1015	M773-F1011 HydrophobicContact CE-CD1 4.02Å; M773-F1011 HydrophobicContact CE-CE1 3.66Å; M773-F1011 WeakPolarHBondContact O-CZ 3.28Å; M773-F1011 HydrophobicContact SD-CE1 4.38Å; F777-F1011 HydrophobicContact CB-CE1 4.31Å; F777-F1011 HydrophobicContact CB-CE2 4.21Å; F777-F1011 HydrophobicContact CB-CZ 3.65Å; F777-F1011 HydrophobicContact CD2-CZ 4.33Å; F777-F1011 HydrophobicContact CG-CZ 4.46Å; W786-F1011 HydrophobicContact CB-CD2 4.34Å; W786-F1011 AromaticContact CD2-CD2 3.67Å; W786-F1011 HydrophobicContact CD2-CD2 3.67Å; W786-F1011 HydrophobicContact CD2-CE2 4.21Å; W786-F1011 AromaticContact CE2-CD2 3.84Å; W786-F1011 AromaticContact CE2-CE2 3.89Å; W786-F1011 HydrophobicContact CE3-CD2 4.12Å; W786-F1011 AromaticContact CG-CD2 3.79Å; W786-F1011 HydrophobicContact CG-CD2 3.79Å; W786-F1011 HydrophobicContact CG-CE2 4.37Å; W786-F1011 HydrophobicContact CZ2-CD2 4.42Å; W786-F1011 HydrophobicContact CZ2-CE2 4.3Å; W786-F1011 AromaticContact NE1-CE2 3.85Å; L939-F1011 HydrophobicContact CD2-CE1 4.16Å; F1007-F1011 HydrophobicContact CD2-CB 4.15Å; F1007-F1011 HydrophobicContact CE2-CB 3.85Å; F1007-F1011 HydrophobicContact CE2-CG 4.09Å; F1007-F1011 VanDerWaalsContact O-CB 3.24Å; F1007-F1011 WeakPolarHBondContact O-CB 3.16Å; F1007-F1011 PolarHBondContact O-N 3.3Å; K1009-F1011 PolarHBondContact O-N 2.7Å; F1011-T1013 VanDerWaalsContact C-N 3.35Å; F1011-T1013 PolarHBondContact O-N 2.97Å; F1011-Y1014 PolarHBondContact O-N 3.13Å; F1011-V1015 HydrophobicContact CD2-CG2 4.27Å; F1011-V1015 HydrophobicContact CE1-CG2 4.27Å; F1011-V1015 HydrophobicContact CE2-CG2 3.74Å; F1011-V1015 HydrophobicContact CZ-CG2 3.72Å; F1011-V1015 WeakPolarHBondContact O-CG2 3.37Å; F1011-V1015 PolarHBondContact O-N 3Å
1012	S	95.2	Very high	93.5	Very high	4 Å²	4	64.8 Å²	64.8	3%	0.028	29%	0.289	C	S	.	.	H	α-helix	trans	-66.8	-33	179.7	60	0	0	0	0	113.5	H763 L1008 K1009 K1016	H763-S1012 PolarHBondContact CE1-OG 2.81Å; H763-S1012 VanDerWaalsContact CE1-OG 3.27Å; L1008-S1012 VanDerWaalsContact O-CB 3.28Å; L1008-S1012 WeakPolarHBondContact O-CB 3.19Å; L1008-S1012 PolarHBondContact O-N 3.04Å; L1008-S1012 VanDerWaalsContact O-N 3.11Å; L1008-S1012 PolarHBondContact O-OG 3.12Å; K1009-S1012 PolarHBondContact O-N 3.42Å; K1009-S1012 PolarHBondContact O-OG 3.49Å; S1012-K1016 WeakPolarHBondContact O-CG 3.32Å; S1012-K1016 PolarHBondContact O-N 3.17Å
1013	T	95.2	Very high	93.4	Very high	64 Å²	64	64.6 Å²	64.6	39%	0.393	30%	0.299	S	S	.	.	H	α-helix	trans	-66.6	-47.5	170.3	-64	0	0	0	0	111.4	K1009 F1011 V1015 K1016 E1017	K1009-T1013 WeakPolarHBondContact O-CB 3.45Å; K1009-T1013 PolarHBondContact O-N 2.82Å; K1009-T1013 PolarHBondContact O-OG1 3.14Å; K1009-T1013 VanDerWaalsContact O-OG1 3.14Å; F1011-T1013 VanDerWaalsContact C-N 3.35Å; F1011-T1013 PolarHBondContact O-N 2.97Å; T1013-V1015 PolarHBondContact O-N 3.45Å; T1013-K1016 WeakPolarHBondContact O-CB 3.43Å; T1013-K1016 PolarHBondContact O-N 2.93Å; T1013-K1016 VanDerWaalsContact O-N 3.15Å; T1013-E1017 HydrophobicContact CG2-CG 4.35Å; T1013-E1017 WeakPolarHBondContact CG2-OE1 3.26Å; T1013-E1017 WeakPolarHBondContact O-CG 3.13Å; T1013-E1017 PolarHBondContact O-N 2.75Å
1014	Y	96.1	Very high	93.1	Very high	18 Å²	18	64.9 Å²	64.9	7%	0.071	30%	0.303	C	S	.	.	H	α-helix	trans	-56.3	-45.6	177.3	171	-96.7	0	0	0	112.5	Y776 Y782 E785 W786 R1010 F1011 K1016 E1017 Q1018	Y776-Y1014 AromaticContact CD1-CE1 3.75Å; Y776-Y1014 HydrophobicContact CD1-CE1 3.75Å; Y776-Y1014 HydrophobicContact CE1-CE1 4.17Å; Y776-Y1014 HydrophobicContact CG-CE1 4.48Å; Y782-Y1014 WeakPolarHBondContact CD1-OH 3.22Å; E785-Y1014 HydrophobicContact CB-CD2 4.38Å; E785-Y1014 HydrophobicContact CB-CE2 3.59Å; E785-Y1014 HydrophobicContact CG-CE2 4.41Å; E785-Y1014 WeakPolarHBondContact OE2-CE2 3.33Å; E785-Y1014 VanDerWaalsContact OE2-CZ 3.32Å; E785-Y1014 PolarHBondContact OE2-OH 3.32Å; W786-Y1014 HydrophobicContact CB-CD1 4.06Å; W786-Y1014 HydrophobicContact CB-CG 4.05Å; W786-Y1014 AromaticContact CD1-CD1 3.71Å; W786-Y1014 AromaticContact CD1-CE1 3.64Å; W786-Y1014 HydrophobicContact CG-CD1 4.23Å; R1010-Y1014 VanDerWaalsContact O-CB 3.27Å; R1010-Y1014 WeakPolarHBondContact O-CB 3.33Å; R1010-Y1014 PolarHBondContact O-N 2.85Å; F1011-Y1014 PolarHBondContact O-N 3.13Å; Y1014-K1016 PolarHBondContact O-N 3.22Å; Y1014-E1017 PolarHBondContact O-N 3.29Å; Y1014-Q1018 HydrophobicContact CD1-CG 4.39Å; Y1014-Q1018 HydrophobicContact CD2-CG 4.19Å; Y1014-Q1018 HydrophobicContact CE1-CG 3.93Å; Y1014-Q1018 HydrophobicContact CE2-CG 3.73Å; Y1014-Q1018 HydrophobicContact CG-CG 4.49Å; Y1014-Q1018 WeakPolarHBondContact O-CB 3.26Å; Y1014-Q1018 VanDerWaalsContact O-CG 3.28Å; Y1014-Q1018 WeakPolarHBondContact O-CG 3.4Å; Y1014-Q1018 PolarHBondContact O-N 3.24Å; Y1014-Q1018 PolarHBondContact OH-NE2 2.94Å
1015	V	96.4	Very high	92.8	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.6	-40.7	177.7	-179.5	0	0	0	0	111.4	V768 E772 M773 Y776 F1011 T1013 Q1018 T1019	V768-V1015 HydrophobicContact CB-CG1 4.47Å; V768-V1015 HydrophobicContact CG1-CG1 4.23Å; E772-V1015 HydrophobicContact CB-CG1 4.35Å; M773-V1015 HydrophobicContact CG-CG1 4.46Å; M773-V1015 HydrophobicContact SD-CB 3.68Å; M773-V1015 HydrophobicContact SD-CG1 3.63Å; M773-V1015 HydrophobicContact SD-CG2 3.89Å; Y776-V1015 HydrophobicContact CD2-CG1 3.97Å; Y776-V1015 HydrophobicContact CD2-CG2 4.33Å; Y776-V1015 HydrophobicContact CG-CG2 4.12Å; F1011-V1015 HydrophobicContact CD2-CG2 4.27Å; F1011-V1015 HydrophobicContact CE1-CG2 4.27Å; F1011-V1015 HydrophobicContact CE2-CG2 3.74Å; F1011-V1015 HydrophobicContact CZ-CG2 3.72Å; F1011-V1015 WeakPolarHBondContact O-CG2 3.37Å; F1011-V1015 PolarHBondContact O-N 3Å; T1013-V1015 PolarHBondContact O-N 3.45Å; V1015-Q1018 PolarHBondContact O-N 3.44Å; V1015-T1019 HydrophobicContact CG1-CG2 4.05Å; V1015-T1019 WeakPolarHBondContact O-CB 3.27Å; V1015-T1019 VanDerWaalsContact O-CG2 3.28Å; V1015-T1019 WeakPolarHBondContact O-CG2 3.43Å; V1015-T1019 PolarHBondContact O-N 2.84Å; V1015-T1019 PolarHBondContact O-OG1 3.19Å
1016	K	94.1	Very high	92.3	Very high	79 Å²	79	69.3 Å²	69.3	34%	0.343	33%	0.326	S	S	.	.	H	α-helix	trans	-58.6	-49.3	173.9	-77.5	165.2	168.4	163.6	0	112.3	V765 H766 V768 S1012 T1013 Y1014 Q1018 T1019 H1020	V765-K1016 HydrophobicContact CG1-CD 4.3Å; V765-K1016 HydrophobicContact CG1-CG 4.31Å; H766-K1016 WeakPolarHBondContact O-CE 3.33Å; V768-K1016 HydrophobicContact CG1-CB 4.36Å; V768-K1016 HydrophobicContact CG1-CG 3.69Å; S1012-K1016 WeakPolarHBondContact O-CG 3.32Å; S1012-K1016 PolarHBondContact O-N 3.17Å; T1013-K1016 WeakPolarHBondContact O-CB 3.43Å; T1013-K1016 PolarHBondContact O-N 2.93Å; T1013-K1016 VanDerWaalsContact O-N 3.15Å; Y1014-K1016 PolarHBondContact O-N 3.22Å; K1016-Q1018 VanDerWaalsContact C-N 3.32Å; K1016-Q1018 PolarHBondContact O-N 2.65Å; K1016-T1019 PolarHBondContact O-N 2.84Å; K1016-H1020 WeakPolarHBondContact O-CB 3.49Å; K1016-H1020 PolarHBondContact O-N 3.08Å
1017	E	94.5	Very high	92.2	Very high	138 Å²	138	66.2 Å²	66.2	65%	0.645	32%	0.317	S	S	*	.	H	α-helix	trans	-59.4	-44.6	178.9	-71.2	169.2	171.7	0	0	111.1	T1013 Y1014 T1019	T1013-E1017 HydrophobicContact CG2-CG 4.35Å; T1013-E1017 WeakPolarHBondContact CG2-OE1 3.26Å; T1013-E1017 WeakPolarHBondContact O-CG 3.13Å; T1013-E1017 PolarHBondContact O-N 2.75Å; Y1014-E1017 PolarHBondContact O-N 3.29Å; E1017-T1019 PolarHBondContact O-N 2.93Å
1018	Q	93.1	Very high	92.1	Very high	61 Å²	61	68.9 Å²	68.9	29%	0.285	33%	0.331	S	S	.	.	H	α-helix	trans	-68.4	-29.8	178.6	-74.8	-71.3	-9.7	0	0	113.8	Y776 E785 Y1014 V1015 K1016 K1022	Y776-Q1018 HydrophobicContact CE1-CB 4.13Å; Y776-Q1018 HydrophobicContact CE1-CG 4.19Å; Y776-Q1018 HydrophobicContact CE2-CB 4.22Å; E785-Q1018 PolarHBondContact OE2-NE2 3.02Å; Y1014-Q1018 HydrophobicContact CD1-CG 4.39Å; Y1014-Q1018 HydrophobicContact CD2-CG 4.19Å; Y1014-Q1018 HydrophobicContact CE1-CG 3.93Å; Y1014-Q1018 HydrophobicContact CE2-CG 3.73Å; Y1014-Q1018 HydrophobicContact CG-CG 4.49Å; Y1014-Q1018 WeakPolarHBondContact O-CB 3.26Å; Y1014-Q1018 VanDerWaalsContact O-CG 3.28Å; Y1014-Q1018 WeakPolarHBondContact O-CG 3.4Å; Y1014-Q1018 PolarHBondContact O-N 3.24Å; Y1014-Q1018 PolarHBondContact OH-NE2 2.94Å; V1015-Q1018 PolarHBondContact O-N 3.44Å; K1016-Q1018 VanDerWaalsContact C-N 3.32Å; K1016-Q1018 PolarHBondContact O-N 2.65Å; Q1018-K1022 WeakPolarHBondContact O-CD 3.18Å; Q1018-K1022 WeakPolarHBondContact O-CE 3.47Å; Q1018-K1022 PolarHBondContact O-NZ 2.65Å
1019	T	93	Very high	91.9	Very high	3 Å²	3	72.6 Å²	72.6	2%	0.018	35%	0.348	C	S	.	.	H	α-helix	trans	-100	-17.8	-175.3	61.7	0	0	0	0	114.6	E772 Y776 R972 V1015 K1016 E1017 N1021 K1022	E772-T1019 HydrophobicContact CB-CG2 4.06Å; E772-T1019 HydrophobicContact CG-CG2 3.92Å; Y776-T1019 HydrophobicContact CD2-CG2 4.46Å; Y776-T1019 HydrophobicContact CE2-CG2 3.9Å; R972-T1019 VanDerWaalsContact CZ-O 3.25Å; R972-T1019 PolarHBondContact NE-O 2.98Å; R972-T1019 VanDerWaalsContact NE-O 3.07Å; R972-T1019 PolarHBondContact NH2-O 3.34Å; V1015-T1019 HydrophobicContact CG1-CG2 4.05Å; V1015-T1019 WeakPolarHBondContact O-CB 3.27Å; V1015-T1019 VanDerWaalsContact O-CG2 3.28Å; V1015-T1019 WeakPolarHBondContact O-CG2 3.43Å; V1015-T1019 PolarHBondContact O-N 2.84Å; V1015-T1019 PolarHBondContact O-OG1 3.19Å; K1016-T1019 PolarHBondContact O-N 2.84Å; E1017-T1019 PolarHBondContact O-N 2.93Å; T1019-N1021 VanDerWaalsContact C-N 3.28Å; T1019-N1021 PolarHBondContact O-N 3.19Å; T1019-K1022 WeakPolarHBondContact O-CB 3.29Å; T1019-K1022 PolarHBondContact O-N 2.89Å
1020	H	88.1	Confident	91.8	Very high	138 Å²	138	71.8 Å²	71.8	64%	0.639	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.6	-47.8	-175.1	-174.3	-82.1	0	0	0	114.6	K1016	K1016-H1020 WeakPolarHBondContact O-CB 3.49Å; K1016-H1020 PolarHBondContact O-N 3.08Å
1021	N	85.9	Confident	91.6	Very high	150 Å²	150	68.4 Å²	68.4	80%	0.802	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	9.1	-176.5	-64.4	-23.4	0	0	0	114.3	T1019	T1019-N1021 VanDerWaalsContact C-N 3.28Å; T1019-N1021 PolarHBondContact O-N 3.19Å
1022	K	89.7	Confident	91.3	Very high	101 Å²	101	72.8 Å²	72.8	44%	0.439	36%	0.36	S	S	.	.	S	Bend	trans	-108.1	148.8	-179.4	-62.6	171.6	-176.2	149.1	0	109.8	Y776 R972 Q1018 T1019	Y776-K1022 PolarHBondContact OH-NZ 3.36Å; R972-K1022 PolarHBondContact NE-O 3.43Å; R972-K1022 PolarHBondContact NH2-O 3.18Å; Q1018-K1022 WeakPolarHBondContact O-CD 3.18Å; Q1018-K1022 WeakPolarHBondContact O-CE 3.47Å; Q1018-K1022 PolarHBondContact O-NZ 2.65Å; T1019-K1022 WeakPolarHBondContact O-CB 3.29Å; T1019-K1022 PolarHBondContact O-N 2.89Å
1023	L	88.2	Confident	91	Very high	153 Å²	153	77.7 Å²	77.7	80%	0.801	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-59.4	143.4	168.4	-67.1	173.5	0	0	0	110.1	R972 L1025	R972-L1023 PolarHBondContact NH2-O 3.47Å; L1023-L1025 PolarHBondContact O-N 2.77Å
1024	P	87.8	Confident	90.7	Very high	32 Å²	32	78.8 Å²	78.8	21%	0.208	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-56.9	131.9	174.4	-24.8	34.8	0	0	0	111.8	T769 R972 L975 F1026	T769-P1024 HydrophobicContact CG2-CB 4.09Å; R972-P1024 HydrophobicContact CG-CG 4.07Å; L975-P1024 HydrophobicContact CD1-CB 4.07Å; L975-P1024 HydrophobicContact CD1-CG 4.06Å; P1024-F1026 HydrophobicContact CB-CE2 3.99Å; P1024-F1026 HydrophobicContact CB-CZ 4.06Å
1025	L	87.4	Confident	90.2	Very high	86 Å²	86	83.8 Å²	83.8	45%	0.45	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-101.2	129.1	172.5	-178.7	66.3	0	0	0	109.8	T769 R771 E772 L1023	T769-L1025 VanDerWaalsContact CB-O 3.24Å; T769-L1025 WeakPolarHBondContact CB-O 3.49Å; T769-L1025 VanDerWaalsContact CG2-O 3.32Å; T769-L1025 WeakPolarHBondContact CG2-O 3.09Å; T769-L1025 PolarHBondContact OG1-O 2.81Å; R771-L1025 HydrophobicContact CG-CD2 3.79Å; R771-L1025 HydrophobicContact CG-CG 3.77Å; E772-L1025 HydrophobicContact CG-CB 4.16Å; E772-L1025 PolarHBondContact OE1-N 2.83Å; E772-L1025 VanDerWaalsContact OE1-N 3.14Å; L1023-L1025 PolarHBondContact O-N 2.77Å
1026	F	84.5	Confident	89.7	Confident	65 Å²	65	91.5 Å²	91.5	29%	0.285	45%	0.447	S	S	.	.			trans	-112.3	0	174.4	-58.2	-77.1	0	0	0	109.4	T769 R771 L906 D907 W909 T943 L967 L970 L975 P1024	T769-F1026 HydrophobicContact CG2-CD1 3.98Å; T769-F1026 HydrophobicContact CG2-CE1 3.76Å; T769-F1026 HydrophobicContact CG2-CZ 4.33Å; R771-F1026 WeakPolarHBondContact CB-OXT 3.21Å; L906-F1026 HydrophobicContact CB-CE1 4.48Å; L906-F1026 HydrophobicContact CD1-CE1 3.7Å; L906-F1026 HydrophobicContact CD1-CZ 4.14Å; D907-F1026 WeakPolarHBondContact OD1-CD1 3.25Å; W909-F1026 PolarHBondContact NE1-OXT 3.13Å; T943-F1026 HydrophobicContact CG2-CE1 4.38Å; L967-F1026 HydrophobicContact CB-CD2 4.45Å; L967-F1026 HydrophobicContact CB-CE2 4.23Å; L970-F1026 HydrophobicContact CD1-CZ 4.24Å; L975-F1026 HydrophobicContact CD1-CE1 4.46Å; L975-F1026 HydrophobicContact CD1-CZ 4.1Å; L975-F1026 HydrophobicContact CD2-CZ 4.49Å; P1024-F1026 HydrophobicContact CB-CE2 3.99Å; P1024-F1026 HydrophobicContact CB-CZ 4.06Å

Retrieved 1,026 of 1,026 residues in 1046.6 ms (Link to these results)

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