A0A087YLL3_POEFO Loading...

Tyrosine-protein kinase receptor

AlphaFold DB , UniProt , Accession A0A087YLL3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 812 aa.

						>A0A087YLL3_POEFO|A0A087YLL3
MCASGPGIWALPSAWGTSGSWQCFWWWVVAVGVTVGSGDPWMSAEACPSTCSCSSTRISCVDPERGISAFPVLQSEAEMENITDIYIANQSSFSSINDKDLYYYKNLRNLTVTNSRLTYVSKLAFQSNLRLQYLNLKDNNLSSLSWRIFKHLNISYLILSGNPLHCSCENMWIKLWLGEEADTQELRCIEDGGARKPLSRLRLPKCEVPMATLTPSKVTKMEKDNVELFCTTSGMPSPELIWNMALVTNYVIETSGQISVLRLSNLSSMDHNKKISCMAENIVGERESSLVLDILFAPQITKLSDAIADHHWCIPFSVAANPEPRIKWYRDNVEVTEGEYIMTMIHDITEREYHGCLQLDNPTHINNGLYRLEVQNKYGSDEKEITAHFMRRPDDGDEPSYYADVTPENPPLDPPEDRVAVYVVVGIAAVAFTGFLLMLVILKFGGNSKFGIKGPSSVISNDDDSASPLHHVSNGSNTPSSSEMGPDAVIIGMTKIPVIENPQYFRSTNSLLKTDTFVQHIKRHNIVLKRELGEGAFGKVFLAECYNLSPDQEKILVAVKTLKEASENARKDFHREAELLTNLQHEHIVTFYGVCVESDPLIMVFEYMKHGDLNKFLRAHGPDAVLMAEGQTTRPVELTQSQMLHIAQQIASGMVYLASQHFVHRDLATRNCLVGENLLVKIGDFGMSRDVYSTDYYRVGGHTMLPIRWMPPESIMYRKFTTESDVWSLGVVLWEIFTYGKQPWYQLSNNEVIECITQGRVLQRPRTCPKEVYDLMLGCWQREPHMRLNIKEIHGLLLNLTKASPVYLDILG
					

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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	26.9	Very low	30.2	Very low	232 Å²	232	130.7 Å²	130.7	100%	1.143	81%	0.806	S	S	*	*				0	95.5	0	-62.8	174.7	177.5	0	0	105.7
2	C	26.3	Very low	30.8	Very low	129 Å²	129	129.8 Å²	129.8	87%	0.872	80%	0.803	S	S	*	*				75	128.6	65.9	-57.7	0	0	0	0	111.7
3	A	28.8	Very low	30.6	Very low	83 Å²	83	127.5 Å²	127.5	69%	0.686	80%	0.795	S	S	*	*			cis	-167.8	167.4	-7.1	0	0	0	0	0	111.3
4	S	32.7	Very low	30.4	Very low	127 Å²	127	125.6 Å²	125.6	89%	0.888	80%	0.799	S	S	*	*			trans	58.6	149.3	152	53.4	0	0	0	0	120.4
5	G	30.3	Very low	30.2	Very low	69 Å²	69	134.9 Å²	134.9	71%	0.711	81%	0.812	S	S	*	*			cis	-172.4	-155.2	14.8	0	0	0	0	0	116.2
6	P	48.2	Very low	29.9	Very low	137 Å²	137	130.4 Å²	130.4	89%	0.89	80%	0.803	S	S	*	*			trans	-99.3	-173.3	-155.5	40.9	-39.5	0	0	0	115.3
7	G	27.5	Very low	29.8	Very low	64 Å²	64	130.8 Å²	130.8	66%	0.66	81%	0.805	S	S	*	*			cis	140.1	116.8	-12.4	0	0	0	0	0	117
8	I	30.1	Very low	29.5	Very low	152 Å²	152	130.4 Å²	130.4	78%	0.779	81%	0.808	S	S	*	*			trans	70	151	153.6	-32.4	179.5	0	0	0	120.2
9	W	28.9	Very low	29.3	Very low	227 Å²	227	127.8 Å²	127.8	86%	0.86	81%	0.81	S	S	*	*			trans	88.2	145.7	165	-55.3	98.4	0	0	0	117.6
10	A	25.6	Very low	29.1	Very low	79 Å²	79	126.8 Å²	126.8	65%	0.653	81%	0.807	S	S	*	*			cis	-152.8	163.4	5.7	0	0	0	0	0	115.2
11	L	26.8	Very low	28.8	Very low	139 Å²	139	130.6 Å²	130.6	73%	0.728	81%	0.806	S	S	*	*			trans	26.5	149.2	137.2	-73.1	167	0	0	0	122.6
12	P	38.2	Very low	28.7	Very low	119 Å²	119	126.7 Å²	126.7	77%	0.773	78%	0.784	S	S	*	*				-131.7	165.2	54.5	21.6	2.1	0	0	0	115
13	S	27.9	Very low	28.7	Very low	100 Å²	100	126.4 Å²	126.4	70%	0.699	78%	0.782	S	S	*	*			cis	106.3	104.1	16	85.8	0	0	0	0	116.3
14	A	27.2	Very low	28.4	Very low	102 Å²	102	131.4 Å²	131.4	84%	0.843	79%	0.789	S	S	*	*			trans	-157	158.1	163.6	0	0	0	0	0	112.6
15	W	28.1	Very low	27.9	Very low	264 Å²	264	137 Å²	137	100%	1	79%	0.791	S	S	*	*			trans	-81.5	170	-167.3	-53.9	-17.9	0	0	0	115.2
16	G	25.3	Very low	27.6	Very low	64 Å²	64	144.4 Å²	144.4	66%	0.66	80%	0.798	S	S	*	*			cis	167.4	-175	-6.7	0	0	0	0	0	115.5
17	T	27.1	Very low	26.5	Very low	137 Å²	137	146.8 Å²	146.8	84%	0.84	79%	0.789	S	S	*	*			trans	57.4	108.9	161.9	53.4	0	0	0	0	122.5
18	S	25.6	Very low	26.3	Very low	124 Å²	124	149.1 Å²	149.1	87%	0.867	79%	0.79	S	S	*	*			trans	56.4	126.3	131.5	66	0	0	0	0	122.7
19	G	25.2	Very low	26.1	Very low	81 Å²	81	148 Å²	148	84%	0.835	79%	0.79	S	S	*	*			trans	177.7	120.3	158.5	0	0	0	0	0	111.9
20	S	25	Very low	25.9	Very low	107 Å²	107	140.8 Å²	140.8	75%	0.748	78%	0.779	S	S	*	*			trans	-114.2	173.3	174	-176.5	0	0	0	0	110
21	W	23.1	Very low	25.8	Very low	207 Å²	207	144.5 Å²	144.5	78%	0.784	79%	0.793	S	S	*	*			trans	87.2	111.3	173.4	-59.6	80.7	0	0	0	117.9
22	Q	24.2	Very low	25.7	Very low	149 Å²	149	141.2 Å²	141.2	70%	0.696	79%	0.793	S	S	*	*			trans	50.2	119.2	138.1	-61.2	179.1	-14	0	0	120.1
23	C	26.1	Very low	25.1	Very low	123 Å²	123	142.3 Å²	142.3	83%	0.831	80%	0.797	S	S	*	*				-157.1	118.7	121.1	-116.8	0	0	0	0	114.3
24	F	23.3	Very low	25.2	Very low	188 Å²	188	143.5 Å²	143.5	83%	0.825	80%	0.8	S	S	*	*			trans	20.1	129.6	138.4	-80.6	-95.9	0	0	0	122.1
25	W	23.3	Very low	25.2	Very low	245 Å²	245	145.6 Å²	145.6	93%	0.928	80%	0.802	S	S	*	*			trans	-75.5	150.5	159.5	-69.6	10.5	0	0	0	113.1
26	W	24	Very low	25.1	Very low	225 Å²	225	136.3 Å²	136.3	85%	0.852	79%	0.789	S	S	*	*			trans	-168.7	147.5	150.5	-96.8	12.2	0	0	0	106.6
27	W	23.4	Very low	25.5	Very low	187 Å²	187	139.5 Å²	139.5	71%	0.708	80%	0.801	S	S	*	*			cis	-134.1	167.2	-1.9	-107.9	11.6	0	0	0	108.5
28	V	25.1	Very low	25.5	Very low	112 Å²	112	136.4 Å²	136.4	68%	0.679	80%	0.796	S	S	*	*				43.1	124.3	81.2	-143.3	0	0	0	0	112.1
29	V	25.4	Very low	25.8	Very low	129 Å²	129	137.2 Å²	137.2	78%	0.782	79%	0.791	S	S	*	*			cis	-159.5	164.1	47.8	-175.1	0	0	0	0	108.3
30	A	23.2	Very low	26.4	Very low	76 Å²	76	139.6 Å²	139.6	63%	0.628	79%	0.791	S	S	*	*			cis	-174.3	166.4	-49.4	0	0	0	0	0	109.1
31	V	24.5	Very low	26.8	Very low	156 Å²	156	145.8 Å²	145.8	95%	0.945	80%	0.798	S	S	*	*			trans	69	129.8	168.5	-173.3	0	0	0	0	118.2
32	G	24.3	Very low	27.5	Very low	70 Å²	70	141.5 Å²	141.5	72%	0.722	79%	0.789	S	S	*	*			trans	129.7	49.8	141.1	0	0	0	0	0	120.6
33	V	26.7	Very low	28.2	Very low	142 Å²	142	139 Å²	139	86%	0.861	79%	0.787	S	S	*	*			trans	-132.8	129.6	164.5	-177.7	0	0	0	0	111.3
34	T	28.3	Very low	29	Very low	125 Å²	125	137.4 Å²	137.4	77%	0.767	78%	0.783	S	S	*	*			trans	-109.4	170.4	166.8	48.7	0	0	0	0	110.1
35	V	27.6	Very low	30.2	Very low	146 Å²	146	136.4 Å²	136.4	89%	0.885	78%	0.781	S	S	*	*			trans	81.9	138.3	171	-172.2	0	0	0	0	116.1
36	G	26.6	Very low	31.8	Very low	70 Å²	70	125.8 Å²	125.8	72%	0.722	75%	0.746	S	S	*	*			trans	112.8	83.2	144.1	0	0	0	0	0	117.2
37	S	32.8	Very low	34.3	Very low	131 Å²	131	116.9 Å²	116.9	92%	0.916	72%	0.717	S	S	*	*			trans	-72.9	123.8	147.9	49.7	0	0	0	0	108.6
38	G	27.7	Very low	37	Very low	71 Å²	71	109.4 Å²	109.4	73%	0.732	69%	0.693	S	S	*	*			trans	-148.9	124	179.6	0	0	0	0	0	111.1
39	D	31.3	Very low	39.4	Very low	142 Å²	142	109 Å²	109	76%	0.759	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-65.4	158.9	173.2	-66.4	-67.2	0	0	0	111.8	W41	D39-W41 PolarHBondContact O-N 3.17Å
40	P	38.9	Very low	42.1	Very low	130 Å²	130	104.8 Å²	104.8	84%	0.844	67%	0.669	S	S	*	*	P	Polyproline II helix	trans	-65.8	118.7	178.4	26.3	-34.5	0	0	0	111.5
41	W	34	Very low	45.1	Very low	238 Å²	238	102.2 Å²	102.2	90%	0.902	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-71.5	134.4	176.6	-73	28.8	0	0	0	111	D39	D39-W41 PolarHBondContact O-N 3.17Å
42	M	38.1	Very low	48.1	Very low	117 Å²	117	98.7 Å²	98.7	58%	0.576	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-62	151.4	159.8	-73	-92.7	-73.7	0	0	109.8	A44	M42-A44 PolarHBondContact O-N 3Å
43	S	37.6	Very low	51.2	Low	95 Å²	95	97.3 Å²	97.3	66%	0.664	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-58.1	125.6	178.4	41.3	0	0	0	0	111.9	E45	S43-E45 PolarHBondContact O-N 2.65Å
44	A	42.7	Very low	54	Low	91 Å²	91	93.1 Å²	93.1	75%	0.752	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	17.9	-164.3	0	0	0	0	0	116.4	M42	M42-A44 PolarHBondContact O-N 3Å
45	E	49.1	Very low	56.7	Low	167 Å²	167	90.8 Å²	90.8	78%	0.78	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-16.6	-176.3	-63.5	-173.8	133.3	0	0	113.6	S43 Q74	S43-E45 PolarHBondContact O-N 2.65Å; E45-Q74 PolarHBondContact O-NE2 3.4Å
46	A	57.6	Low	59.6	Low	22 Å²	22	86.9 Å²	86.9	18%	0.182	55%	0.55	C	S	.	*	S	Bend	trans	-87	-15.1	-174.3	0	0	0	0	0	115.6
47	C	75.9	Confident	62.7	Low	37 Å²	37	88.8 Å²	88.8	25%	0.25	54%	0.536	C	S	.	.	S	Bend	trans	-97.7	142	-175.6	-173.3	0	0	0	0	112.1	S49 C53	C47-S49 PolarHBondContact O-N 3.31Å; C47-C53 HydrophobicContact CB-CB 3.64Å; C47-C53 WeakPolarHBondContact CB-SG 2.99Å; C47-C53 WeakPolarHBondContact SG-CB 3.36Å; C47-C53 PolarHBondContact SG-N 2.04Å; C47-C53 CovalentContact SG-SG 2.04Å; C47-C53 PolarHBondContact SG-SG 2.98Å
48	P	80.5	Confident	65.5	Low	31 Å²	31	82.6 Å²	82.6	20%	0.201	49%	0.492	C	S	.	.			trans	-54.1	130.7	168.9	-27.3	35.6	0	0	0	112.2	T50 C51 P71 V72	P48-T50 PolarHBondContact O-N 2.79Å; P48-C51 HydrophobicContact CB-CB 4.5Å; P48-C51 PolarHBondContact O-N 2.78Å; P48-P71 HydrophobicContact CG-CB 4.28Å; P48-V72 WeakPolarHBondContact CG-O 3.24Å
49	S	74.5	Confident	68.7	Low	102 Å²	102	80.7 Å²	80.7	71%	0.713	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-4.4	-173.7	57.4	0	0	0	0	115.9	C47	C47-S49 PolarHBondContact O-N 3.31Å
50	T	81.7	Confident	71.6	Confident	41 Å²	41	73.9 Å²	73.9	25%	0.252	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-6.7	174.2	53.3	0	0	0	0	113.2	P48 R65 I67	P48-T50 PolarHBondContact O-N 2.79Å; T50-R65 VanDerWaalsContact CB-O 3.24Å; T50-R65 WeakPolarHBondContact CB-O 3.49Å; T50-R65 HydrophobicContact CG2-CB 4.25Å; T50-R65 WeakPolarHBondContact CG2-O 3.16Å; T50-I67 HydrophobicContact CG2-CG2 4.2Å; T50-I67 WeakPolarHBondContact OG1-CG2 3.1Å
51	C	87.3	Confident	73.9	Confident	23 Å²	23	70.4 Å²	70.4	16%	0.155	41%	0.407	C	S	.	.	S	Bend	trans	-132.7	168.6	-173.6	-56.8	0	0	0	0	111.3	P48 I58 C60	P48-C51 HydrophobicContact CB-CB 4.5Å; P48-C51 PolarHBondContact O-N 2.78Å; C51-I58 HydrophobicContact CB-CG2 4.45Å; C51-C60 HydrophobicContact CB-CB 4.05Å; C51-C60 WeakPolarHBondContact CB-SG 3.38Å; C51-C60 WeakPolarHBondContact SG-CB 3.01Å; C51-C60 CovalentContact SG-SG 2.04Å; C51-C60 PolarHBondContact SG-SG 3.32Å
52	S	87.9	Confident	76.2	Confident	82 Å²	82	61.7 Å²	61.7	57%	0.573	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	134.2	167.1	-179.1	0	0	0	0	108.7	S59	S52-S59 PolarHBondContact N-O 3.43Å; S52-S59 PolarHBondContact O-N 2.8Å
53	C	88.1	Confident	77.7	Confident	40 Å²	40	60 Å²	60	27%	0.27	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.8	-177.4	-50.2	0	0	0	0	110.7	C47 R57	C47-C53 HydrophobicContact CB-CB 3.64Å; C47-C53 WeakPolarHBondContact CB-SG 2.99Å; C47-C53 WeakPolarHBondContact SG-CB 3.36Å; C47-C53 PolarHBondContact SG-N 2.04Å; C47-C53 CovalentContact SG-SG 2.04Å; C47-C53 PolarHBondContact SG-SG 2.98Å; C53-R57 CarbonylContact C-O 3.57Å; C53-R57 WeakPolarHBondContact CA-O 3.49Å
54	S	85.9	Confident	79.2	Confident	55 Å²	55	64.3 Å²	64.3	39%	0.385	39%	0.386	S	S	.	.			trans	-123.7	-178.3	164.7	70.2	0	0	0	0	109.5	T56 R57	S54-T56 PolarHBondContact O-N 3.46Å; S54-R57 PolarHBondContact N-O 2.97Å; S54-R57 PolarHBondContact OG-N 2.8Å; S54-R57 VanDerWaalsContact OG-N 3.07Å; S54-R57 PolarHBondContact OG-O 2.87Å
55	S	84.3	Confident	80.4	Confident	75 Å²	75	67.2 Å²	67.2	52%	0.524	38%	0.377	S	S	.	.	S	Bend	trans	-61.7	-19.4	177.8	47.9	0	0	0	0	114.9
56	T	89	Confident	81.6	Confident	65 Å²	65	60.6 Å²	60.6	40%	0.399	35%	0.354	S	S	.	.	S	Bend	trans	-130.2	-9.6	-178.7	58.7	0	0	0	0	114.6	S54 I82 T83 D84	S54-T56 PolarHBondContact O-N 3.46Å; T56-I82 CarbonylContact O-C 3.51Å; T56-I82 WeakPolarHBondContact O-CA 3.44Å; T56-T83 PolarHBondContact O-N 2.86Å; T56-T83 PolarHBondContact O-OG1 3.03Å; T56-D84 PolarHBondContact O-N 3.12Å; T56-D84 VanDerWaalsContact O-N 3.16Å
57	R	91.8	Very high	83	Confident	110 Å²	110	60.1 Å²	60.1	42%	0.415	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	137	-174	-178.9	172	173.9	179.2	-0.6	113.9	C53 S54 D84	C53-R57 CarbonylContact C-O 3.57Å; C53-R57 WeakPolarHBondContact CA-O 3.49Å; S54-R57 PolarHBondContact N-O 2.97Å; S54-R57 PolarHBondContact OG-N 2.8Å; S54-R57 VanDerWaalsContact OG-N 3.07Å; S54-R57 PolarHBondContact OG-O 2.87Å; R57-D84 CarbonylContact C-O 3.57Å; R57-D84 VanDerWaalsContact CA-O 3.25Å; R57-D84 WeakPolarHBondContact CA-O 3.48Å; R57-D84 HydrophobicContact CB-CB 3.95Å; R57-D84 HydrophobicContact CG-CB 3.76Å
58	I	92.9	Very high	83.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.9	167.6	-58.2	172.8	0	0	0	109.4	C51 P71 L73 I82 D84 I85 Y86 Y104	C51-I58 HydrophobicContact CB-CG2 4.45Å; I58-P71 HydrophobicContact CG2-CB 3.99Å; I58-P71 HydrophobicContact CG2-CG 3.89Å; I58-L73 HydrophobicContact CD1-CD1 4.22Å; I58-L73 HydrophobicContact CD1-CD2 4.13Å; I58-L73 HydrophobicContact CD1-CG 4.12Å; I58-I82 HydrophobicContact CD1-CG1 4.18Å; I58-I82 HydrophobicContact CD1-CG2 4.35Å; I58-I82 HydrophobicContact CG1-CD1 4.15Å; I58-I82 HydrophobicContact CG1-CG1 4.22Å; I58-I82 HydrophobicContact CG1-CG2 4.22Å; I58-D84 PolarHBondContact N-O 3.34Å; I58-I85 HydrophobicContact CB-CG1 4.33Å; I58-I85 HydrophobicContact CD1-CG1 4.49Å; I58-Y86 PolarHBondContact O-N 3.34Å; I58-Y104 HydrophobicContact CD1-CE1 3.79Å
59	S	93.3	Very high	83.5	Confident	31 Å²	31	64.3 Å²	64.3	22%	0.217	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	107	-177	-170.9	0	0	0	0	111.9	S52 Y86	S52-S59 PolarHBondContact N-O 3.43Å; S52-S59 PolarHBondContact O-N 2.8Å; S59-Y86 CarbonylContact C-O 3.19Å; S59-Y86 VanDerWaalsContact CA-O 3.32Å; S59-Y86 WeakPolarHBondContact CA-O 3.23Å
60	C	91.9	Very high	84.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	99	-179.1	-50.6	0	0	0	0	109.4	C51 I67 Y86 I87 A88	C51-C60 HydrophobicContact CB-CB 4.05Å; C51-C60 WeakPolarHBondContact CB-SG 3.38Å; C51-C60 WeakPolarHBondContact SG-CB 3.01Å; C51-C60 CovalentContact SG-SG 2.04Å; C51-C60 PolarHBondContact SG-SG 3.32Å; C60-I67 HydrophobicContact CB-CD1 4.09Å; C60-Y86 PolarHBondContact N-O 3.37Å; C60-I87 HydrophobicContact CB-CG1 4.45Å; C60-I87 WeakPolarHBondContact O-CA 3.47Å; C60-A88 PolarHBondContact O-N 2.87Å
61	V	88.4	Confident	84.4	Confident	56 Å²	56	58.4 Å²	58.4	34%	0.339	34%	0.341	S	S	.	.			trans	-128.8	-15.9	-168.2	-172.7	0	0	0	0	113.5	P63 Y86 A88	V61-P63 WeakPolarHBondContact O-CD 3.32Å; V61-Y86 HydrophobicContact CG2-CD1 3.69Å; V61-Y86 HydrophobicContact CG2-CE1 3.72Å; V61-A88 WeakPolarHBondContact CA-O 3.49Å; V61-A88 HydrophobicContact CG1-CB 4.29Å; V61-A88 HydrophobicContact CG2-CB 4.36Å
62	D	81.1	Confident	84.4	Confident	56 Å²	56	61.4 Å²	61.4	30%	0.299	36%	0.359	S	S	.	.			trans	-68.8	120.7	179.1	-175.9	-24.1	0	0	0	110.3	E64 R65 Q90	D62-E64 WeakPolarHBondContact OD1-CA 3.44Å; D62-E64 WeakPolarHBondContact OD1-CB 3.48Å; D62-E64 PolarHBondContact OD1-N 2.88Å; D62-R65 HydrophobicContact CB-CB 4.27Å; D62-R65 PolarHBondContact OD1-N 2.92Å; D62-R65 VanDerWaalsContact OD2-CD 3.24Å; D62-R65 WeakPolarHBondContact OD2-CD 3.42Å; D62-R65 VanDerWaalsContact OD2-CG 3.28Å; D62-R65 WeakPolarHBondContact OD2-CG 3.49Å; D62-R65 IonicContact OD2-NE 3.25Å; D62-Q90 PolarHBondContact O-NE2 2.85Å
63	P	71.1	Confident	84.3	Confident	82 Å²	82	58.3 Å²	58.3	53%	0.532	34%	0.336	S	S	.	.	S	Bend	trans	-84.5	-18.3	179.1	34.8	-35.1	0	0	0	113.6	V61 N89	V61-P63 WeakPolarHBondContact O-CD 3.32Å; P63-N89 HydrophobicContact CB-CB 4.41Å
64	E	69.2	Low	84	Confident	185 Å²	185	63.6 Å²	63.6	86%	0.864	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-35.2	176.2	-61.1	-170.2	172.5	0	0	110.7	D62 G66	D62-E64 WeakPolarHBondContact OD1-CA 3.44Å; D62-E64 WeakPolarHBondContact OD1-CB 3.48Å; D62-E64 PolarHBondContact OD1-N 2.88Å; E64-G66 VanDerWaalsContact C-N 3.34Å; E64-G66 PolarHBondContact O-N 2.88Å
65	R	66.9	Low	83.9	Confident	151 Å²	151	63.4 Å²	63.4	57%	0.57	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	42	176.7	-57.4	-176.7	-171.7	-166.1	3.1	112.6	T50 D62 I67	T50-R65 VanDerWaalsContact CB-O 3.24Å; T50-R65 WeakPolarHBondContact CB-O 3.49Å; T50-R65 HydrophobicContact CG2-CB 4.25Å; T50-R65 WeakPolarHBondContact CG2-O 3.16Å; D62-R65 HydrophobicContact CB-CB 4.27Å; D62-R65 PolarHBondContact OD1-N 2.92Å; D62-R65 VanDerWaalsContact OD2-CD 3.24Å; D62-R65 WeakPolarHBondContact OD2-CD 3.42Å; D62-R65 VanDerWaalsContact OD2-CG 3.28Å; D62-R65 WeakPolarHBondContact OD2-CG 3.49Å; D62-R65 IonicContact OD2-NE 3.25Å; R65-I67 PolarHBondContact O-N 2.8Å
66	G	74.4	Confident	83.9	Confident	29 Å²	29	65 Å²	65	30%	0.299	36%	0.355	S	S	.	.			trans	-60.6	132.2	-168	0	0	0	0	0	115.2	E64 Q90	E64-G66 VanDerWaalsContact C-N 3.34Å; E64-G66 PolarHBondContact O-N 2.88Å; G66-Q90 VanDerWaalsContact CA-OE1 3.23Å
67	I	86.3	Confident	83.6	Confident	12 Å²	12	64.8 Å²	64.8	6%	0.062	36%	0.359	C	S	.	.			trans	-79.6	145.3	175.7	62.5	170.8	0	0	0	112.7	T50 C60 R65 I87 Q90 S92 F93	T50-I67 HydrophobicContact CG2-CG2 4.2Å; T50-I67 WeakPolarHBondContact OG1-CG2 3.1Å; C60-I67 HydrophobicContact CB-CD1 4.09Å; R65-I67 PolarHBondContact O-N 2.8Å; I67-I87 HydrophobicContact CD1-CD1 4.22Å; I67-I87 HydrophobicContact CD1-CG1 4.49Å; I67-I87 HydrophobicContact CD1-CG2 4.14Å; I67-Q90 HydrophobicContact CD1-CG 4.39Å; I67-Q90 HydrophobicContact CG1-CB 4.18Å; I67-Q90 HydrophobicContact CG1-CG 3.87Å; I67-S92 CarbonylContact O-C 3.53Å; I67-S92 WeakPolarHBondContact O-CB 3.33Å; I67-F93 HydrophobicContact CD1-CD2 4.07Å; I67-F93 HydrophobicContact CG1-CB 4.38Å; I67-F93 HydrophobicContact CG1-CD2 4.22Å; I67-F93 PolarHBondContact O-N 2.82Å
68	S	83.5	Confident	83.3	Confident	92 Å²	92	62 Å²	62	64%	0.643	35%	0.351	S	S	*	.	S	Bend	trans	-111.7	-16	174.6	55	0	0	0	0	114
69	A	84.4	Confident	83	Confident	64 Å²	64	62.5 Å²	62.5	53%	0.529	35%	0.353	S	S	.	.	S	Bend	trans	-131	167.3	177.4	0	0	0	0	0	109.7
70	F	88.5	Confident	82.8	Confident	13 Å²	13	64.1 Å²	64.1	6%	0.057	36%	0.357	C	S	.	.			trans	-64.2	141.6	178.3	-148	-97.9	0	0	0	111.2	I85 I87 F93 D100 L101 Y104 L110	F70-I85 HydrophobicContact CE1-CD1 3.79Å; F70-I85 HydrophobicContact CE1-CG2 4.44Å; F70-I85 HydrophobicContact CZ-CD1 4.06Å; F70-I85 HydrophobicContact CZ-CG2 4.02Å; F70-I87 HydrophobicContact CD2-CD1 4.29Å; F70-I87 HydrophobicContact CE2-CD1 3.9Å; F70-I87 HydrophobicContact CZ-CD1 4.35Å; F70-F93 HydrophobicContact CD2-CE2 4.1Å; F70-F93 AromaticContact CD2-CZ 3.85Å; F70-F93 HydrophobicContact CD2-CZ 3.85Å; F70-F93 HydrophobicContact CE2-CZ 4.37Å; F70-D100 HydrophobicContact CB-CB 3.71Å; F70-D100 HydrophobicContact CD1-CB 4.31Å; F70-D100 VanDerWaalsContact CD1-O 3.26Å; F70-D100 WeakPolarHBondContact CD1-O 3.42Å; F70-D100 HydrophobicContact CD2-CB 4.19Å; F70-D100 HydrophobicContact CG-CB 3.82Å; F70-L101 HydrophobicContact CE1-CD2 3.53Å; F70-L101 HydrophobicContact CE1-CG 3.92Å; F70-L101 HydrophobicContact CE2-CD1 4.43Å; F70-L101 HydrophobicContact CE2-CD2 4.46Å; F70-L101 HydrophobicContact CE2-CG 4.33Å; F70-L101 HydrophobicContact CZ-CD1 4.16Å; F70-L101 HydrophobicContact CZ-CD2 3.47Å; F70-L101 VanDerWaalsContact CZ-CD2 3.47Å; F70-L101 HydrophobicContact CZ-CG 3.77Å; F70-Y104 HydrophobicContact CE1-CE2 4.39Å; F70-L110 HydrophobicContact CZ-CD1 4.2Å
71	P	87.2	Confident	82.6	Confident	5 Å²	5	68.8 Å²	68.8	3%	0.032	38%	0.382	C	S	.	.			trans	-65.1	138	174.4	27.9	-35.4	0	0	0	110.8	P48 I58 I87 Y104	P48-P71 HydrophobicContact CG-CB 4.28Å; I58-P71 HydrophobicContact CG2-CB 3.99Å; I58-P71 HydrophobicContact CG2-CG 3.89Å; P71-I87 HydrophobicContact CG-CD1 4.48Å; P71-Y104 PolarHBondContact O-OH 2.83Å; P71-Y104 VanDerWaalsContact O-OH 3.06Å
72	V	85.6	Confident	82.8	Confident	87 Å²	87	66.2 Å²	66.2	53%	0.527	37%	0.367	S	S	.	.			trans	-131.3	138.3	179.5	177.1	0	0	0	0	108	P48 M79	P48-V72 WeakPolarHBondContact CG-O 3.24Å; V72-M79 HydrophobicContact CG1-CE 4.26Å; V72-M79 HydrophobicContact CG1-SD 3.84Å
73	L	86.1	Confident	83.4	Confident	16 Å²	16	64.3 Å²	64.3	8%	0.084	36%	0.357	C	S	.	.			trans	-95.7	166.2	176.3	-53.8	-179.9	0	0	0	110.9	I58 S75 E78 M79 I82	I58-L73 HydrophobicContact CD1-CD1 4.22Å; I58-L73 HydrophobicContact CD1-CD2 4.13Å; I58-L73 HydrophobicContact CD1-CG 4.12Å; L73-S75 VanDerWaalsContact C-N 3.32Å; L73-S75 PolarHBondContact O-N 2.67Å; L73-E78 HydrophobicContact CB-CB 4.19Å; L73-E78 HydrophobicContact CD1-CB 3.83Å; L73-M79 HydrophobicContact CB-CG 3.75Å; L73-M79 HydrophobicContact CD1-CG 4.28Å; L73-M79 HydrophobicContact CG-CG 4.06Å; L73-I82 HydrophobicContact CD1-CD1 4.12Å; L73-I82 HydrophobicContact CD1-CG1 3.93Å
74	Q	82.1	Confident	84.5	Confident	151 Å²	151	62.4 Å²	62.4	71%	0.706	34%	0.342	S	S	*	.	S	Bend	trans	-71.3	-25.9	-174.5	-64	-169.4	8	0	0	113.6	E45	E45-Q74 PolarHBondContact O-NE2 3.4Å
75	S	84.3	Confident	85.7	Confident	51 Å²	51	53.7 Å²	53.7	36%	0.357	30%	0.302	S	S	.	.			trans	-121.1	138.6	-179.9	179.5	0	0	0	0	112.9	L73 A77 E78 M79	L73-S75 VanDerWaalsContact C-N 3.32Å; L73-S75 PolarHBondContact O-N 2.67Å; S75-A77 PolarHBondContact O-N 3.09Å; S75-A77 PolarHBondContact OG-N 2.76Å; S75-E78 WeakPolarHBondContact CB-OE2 3.45Å; S75-E78 PolarHBondContact N-OE2 2.68Å; S75-E78 VanDerWaalsContact N-OE2 3.09Å; S75-E78 WeakPolarHBondContact O-CB 3.03Å; S75-E78 PolarHBondContact O-N 3Å; S75-E78 VanDerWaalsContact O-N 3.09Å; S75-M79 PolarHBondContact O-N 3.34Å; S75-M79 VanDerWaalsContact O-N 3.16Å
76	E	84.3	Confident	87.1	Confident	110 Å²	110	50.2 Å²	50.2	51%	0.514	29%	0.289	S	S	.	.	H	α-helix	trans	-58.2	-35.2	171.3	-63.4	-175.3	-170	0	0	111.9	E78 M79 E80 Y103	E76-E78 VanDerWaalsContact C-N 3.31Å; E76-E78 PolarHBondContact O-N 2.81Å; E76-M79 HydrophobicContact CG-CE 4.28Å; E76-M79 PolarHBondContact O-N 2.91Å; E76-E80 WeakPolarHBondContact O-CB 3.37Å; E76-E80 PolarHBondContact O-N 3.5Å; E76-Y103 HydrophobicContact CB-CD1 4.22Å; E76-Y103 HydrophobicContact CG-CD1 3.76Å; E76-Y103 HydrophobicContact CG-CE1 3.75Å; E76-Y103 HydrophobicContact CG-CG 4.35Å; E76-Y103 VanDerWaalsContact OE1-CE1 3.27Å; E76-Y103 WeakPolarHBondContact OE1-CE1 3.4Å; E76-Y103 PolarHBondContact OE1-OH 3.21Å; E76-Y103 WeakPolarHBondContact OE2-CE1 3.18Å
77	A	83	Confident	88	Confident	60 Å²	60	48.9 Å²	48.9	50%	0.496	28%	0.275	S	S	.	.	H	α-helix	trans	-71.3	-24	177.7	0	0	0	0	0	113.2	S75 N81	S75-A77 PolarHBondContact O-N 3.09Å; S75-A77 PolarHBondContact OG-N 2.76Å; A77-N81 PolarHBondContact O-ND2 3.46Å; A77-N81 VanDerWaalsContact O-ND2 3.09Å
78	E	84.6	Confident	88.4	Confident	52 Å²	52	48.4 Å²	48.4	24%	0.243	27%	0.273	C	S	.	.	H	α-helix	trans	-74.7	-44.2	170.2	-67.8	171.4	140.4	0	0	110.3	L73 S75 E76 E80 N81	L73-E78 HydrophobicContact CB-CB 4.19Å; L73-E78 HydrophobicContact CD1-CB 3.83Å; S75-E78 WeakPolarHBondContact CB-OE2 3.45Å; S75-E78 PolarHBondContact N-OE2 2.68Å; S75-E78 VanDerWaalsContact N-OE2 3.09Å; S75-E78 WeakPolarHBondContact O-CB 3.03Å; S75-E78 PolarHBondContact O-N 3Å; S75-E78 VanDerWaalsContact O-N 3.09Å; E76-E78 VanDerWaalsContact C-N 3.31Å; E76-E78 PolarHBondContact O-N 2.81Å; E78-E80 VanDerWaalsContact C-N 3.29Å; E78-E80 PolarHBondContact O-N 3.48Å; E78-N81 PolarHBondContact O-N 2.77Å; E78-N81 VanDerWaalsContact O-N 3.07Å
79	M	87.4	Confident	88.7	Confident	9 Å²	9	46.9 Å²	46.9	4%	0.044	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-35.8	177.2	-63.7	-170.3	-79.1	0	0	112.4	V72 L73 S75 E76 N81 I82 Y103 Y104	V72-M79 HydrophobicContact CG1-CE 4.26Å; V72-M79 HydrophobicContact CG1-SD 3.84Å; L73-M79 HydrophobicContact CB-CG 3.75Å; L73-M79 HydrophobicContact CD1-CG 4.28Å; L73-M79 HydrophobicContact CG-CG 4.06Å; S75-M79 PolarHBondContact O-N 3.34Å; S75-M79 VanDerWaalsContact O-N 3.16Å; E76-M79 HydrophobicContact CG-CE 4.28Å; E76-M79 PolarHBondContact O-N 2.91Å; M79-N81 PolarHBondContact O-N 2.04Å; M79-I82 PolarHBondContact O-N 3.14Å; M79-Y103 HydrophobicContact CE-CD2 3.87Å; M79-Y103 HydrophobicContact CE-CG 3.95Å; M79-Y104 HydrophobicContact CB-CD1 3.97Å; M79-Y104 HydrophobicContact CB-CE1 3.68Å; M79-Y104 HydrophobicContact CB-CE2 4.31Å; M79-Y104 HydrophobicContact CB-CG 4.41Å; M79-Y104 HydrophobicContact CG-CE1 3.81Å; M79-Y104 HydrophobicContact CG-CE2 4.19Å; M79-Y104 VanDerWaalsContact O-CD1 3.25Å; M79-Y104 WeakPolarHBondContact O-CD1 3.3Å; M79-Y104 HydrophobicContact SD-CE1 4.45Å; M79-Y104 HydrophobicContact SD-CE2 3.76Å; M79-Y104 PolarHBondContact SD-OH 3Å
80	E	88.6	Confident	89	Confident	65 Å²	65	43.9 Å²	43.9	30%	0.304	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.5	175.1	-172.1	155.2	-163.1	0	0	113.3	E76 E78 K105 N106	E76-E80 WeakPolarHBondContact O-CB 3.37Å; E76-E80 PolarHBondContact O-N 3.5Å; E78-E80 VanDerWaalsContact C-N 3.29Å; E78-E80 PolarHBondContact O-N 3.48Å; E80-K105 WeakPolarHBondContact OE1-CD 3.29Å; E80-K105 IonicContact OE1-NZ 3.74Å; E80-K105 PolarHBondContact OE1-NZ 2.92Å; E80-K105 IonicContact OE2-NZ 2.72Å; E80-K105 PolarHBondContact OE2-NZ 3.39Å; E80-N106 WeakPolarHBondContact O-CB 3.38Å; E80-N106 PolarHBondContact O-ND2 2.83Å
81	N	88.2	Confident	88.9	Confident	98 Å²	98	46.2 Å²	46.2	52%	0.524	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-11.8	174.4	-72.4	-31.1	0	0	0	114.1	A77 E78 M79 T83	A77-N81 PolarHBondContact O-ND2 3.46Å; A77-N81 VanDerWaalsContact O-ND2 3.09Å; E78-N81 PolarHBondContact O-N 2.77Å; E78-N81 VanDerWaalsContact O-N 3.07Å; M79-N81 PolarHBondContact O-N 2.04Å; N81-T83 PolarHBondContact O-N 3.04Å
82	I	91.6	Very high	88.9	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.01	27%	0.271	C	S	.	.			trans	-77.8	119	-178.1	-58.8	-57.9	0	0	0	111.1	T56 I58 L73 M79 D84 I85 Y104 N106 L107	T56-I82 CarbonylContact O-C 3.51Å; T56-I82 WeakPolarHBondContact O-CA 3.44Å; I58-I82 HydrophobicContact CD1-CG1 4.18Å; I58-I82 HydrophobicContact CD1-CG2 4.35Å; I58-I82 HydrophobicContact CG1-CD1 4.15Å; I58-I82 HydrophobicContact CG1-CG1 4.22Å; I58-I82 HydrophobicContact CG1-CG2 4.22Å; L73-I82 HydrophobicContact CD1-CD1 4.12Å; L73-I82 HydrophobicContact CD1-CG1 3.93Å; M79-I82 PolarHBondContact O-N 3.14Å; I82-D84 WeakPolarHBondContact CG2-O 3.33Å; I82-I85 HydrophobicContact CG2-CD1 4.25Å; I82-I85 HydrophobicContact CG2-CG1 3.72Å; I82-Y104 HydrophobicContact CB-CD1 3.91Å; I82-Y104 HydrophobicContact CB-CE1 4.04Å; I82-Y104 HydrophobicContact CG1-CD1 4.38Å; I82-Y104 HydrophobicContact CG1-CE1 4.03Å; I82-Y104 HydrophobicContact CG2-CD1 4.21Å; I82-Y104 HydrophobicContact CG2-CE1 4.29Å; I82-N106 CarbonylContact O-C 3.59Å; I82-L107 PolarHBondContact O-N 3Å
83	T	93.1	Very high	89.2	Confident	16 Å²	16	45 Å²	45	10%	0.098	25%	0.246	C	C	.	.			trans	-95.1	-20.7	173.8	56.1	0	0	0	0	113.1	T56 N81 R108 N109	T56-T83 PolarHBondContact O-N 2.86Å; T56-T83 PolarHBondContact O-OG1 3.03Å; N81-T83 PolarHBondContact O-N 3.04Å; T83-R108 HydrophobicContact CG2-CG 4.47Å; T83-R108 PolarHBondContact O-N 3.39Å; T83-N109 PolarHBondContact O-N 3.37Å
84	D	95.5	Very high	89.4	Confident	42 Å²	42	46.6 Å²	46.6	23%	0.225	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	125.2	-168.9	-71.6	-103.6	0	0	0	112.7	T56 R57 I58 I82 N109	T56-D84 PolarHBondContact O-N 3.12Å; T56-D84 VanDerWaalsContact O-N 3.16Å; R57-D84 CarbonylContact C-O 3.57Å; R57-D84 VanDerWaalsContact CA-O 3.25Å; R57-D84 WeakPolarHBondContact CA-O 3.48Å; R57-D84 HydrophobicContact CB-CB 3.95Å; R57-D84 HydrophobicContact CG-CB 3.76Å; I58-D84 PolarHBondContact N-O 3.34Å; I82-D84 WeakPolarHBondContact CG2-O 3.33Å; D84-N109 WeakPolarHBondContact CA-O 3.38Å; D84-N109 WeakPolarHBondContact OD1-CB 3.49Å; D84-N109 PolarHBondContact OD1-ND2 3.38Å
85	I	95.1	Very high	90	Very high	2 Å²	2	41 Å²	41	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.4	173.1	-63.1	176.9	0	0	0	109.8	I58 F70 I82 I87 L101 Y104 L107 N109 L110 T111	I58-I85 HydrophobicContact CB-CG1 4.33Å; I58-I85 HydrophobicContact CD1-CG1 4.49Å; F70-I85 HydrophobicContact CE1-CD1 3.79Å; F70-I85 HydrophobicContact CE1-CG2 4.44Å; F70-I85 HydrophobicContact CZ-CD1 4.06Å; F70-I85 HydrophobicContact CZ-CG2 4.02Å; I82-I85 HydrophobicContact CG2-CD1 4.25Å; I82-I85 HydrophobicContact CG2-CG1 3.72Å; I85-I87 HydrophobicContact CG2-CD1 4.15Å; I85-I87 HydrophobicContact CG2-CG1 4.08Å; I85-L101 HydrophobicContact CD1-CD2 4.08Å; I85-Y104 HydrophobicContact CD1-CD1 3.84Å; I85-Y104 HydrophobicContact CD1-CE1 3.97Å; I85-Y104 HydrophobicContact CD1-CG 4.12Å; I85-L107 HydrophobicContact CB-CD1 4.08Å; I85-L107 HydrophobicContact CD1-CD1 3.83Å; I85-L107 HydrophobicContact CD1-CD2 4.21Å; I85-L107 HydrophobicContact CG1-CD1 3.63Å; I85-N109 PolarHBondContact N-O 3.3Å; I85-L110 HydrophobicContact CB-CD1 3.85Å; I85-L110 HydrophobicContact CG2-CD1 3.8Å; I85-T111 PolarHBondContact O-N 3.2Å
86	Y	95.2	Very high	90.5	Very high	79 Å²	79	38.6 Å²	38.6	31%	0.31	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	109.8	-176.8	-172.1	-89.3	0	0	0	111	I58 S59 C60 V61 A88 T111	I58-Y86 PolarHBondContact O-N 3.34Å; S59-Y86 CarbonylContact C-O 3.19Å; S59-Y86 VanDerWaalsContact CA-O 3.32Å; S59-Y86 WeakPolarHBondContact CA-O 3.23Å; C60-Y86 PolarHBondContact N-O 3.37Å; V61-Y86 HydrophobicContact CG2-CD1 3.69Å; V61-Y86 HydrophobicContact CG2-CE1 3.72Å; Y86-A88 HydrophobicContact CD1-CB 4.36Å; Y86-A88 HydrophobicContact CE1-CB 3.59Å; Y86-T111 HydrophobicContact CD2-CG2 3.81Å; Y86-T111 HydrophobicContact CE2-CG2 3.67Å
87	I	94	Very high	90.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.5	-179.7	-61.1	177.9	0	0	0	107.7	C60 I67 F70 P71 I85 Q90 F93 T111 V112 T113	C60-I87 HydrophobicContact CB-CG1 4.45Å; C60-I87 WeakPolarHBondContact O-CA 3.47Å; I67-I87 HydrophobicContact CD1-CD1 4.22Å; I67-I87 HydrophobicContact CD1-CG1 4.49Å; I67-I87 HydrophobicContact CD1-CG2 4.14Å; F70-I87 HydrophobicContact CD2-CD1 4.29Å; F70-I87 HydrophobicContact CE2-CD1 3.9Å; F70-I87 HydrophobicContact CZ-CD1 4.35Å; P71-I87 HydrophobicContact CG-CD1 4.48Å; I85-I87 HydrophobicContact CG2-CD1 4.15Å; I85-I87 HydrophobicContact CG2-CG1 4.08Å; I87-Q90 HydrophobicContact CG2-CB 4.07Å; I87-Q90 HydrophobicContact CG2-CG 3.58Å; I87-F93 HydrophobicContact CD1-CZ 4.39Å; I87-F93 HydrophobicContact CG2-CD1 4.41Å; I87-T111 PolarHBondContact N-O 3.24Å; I87-V112 HydrophobicContact CB-CG1 4.43Å; I87-V112 HydrophobicContact CB-CG2 4.21Å; I87-V112 HydrophobicContact CD1-CG2 4.3Å; I87-V112 HydrophobicContact CG2-CG1 4.24Å; I87-V112 CarbonylContact O-C 3.57Å; I87-V112 VanDerWaalsContact O-CA 3.29Å; I87-V112 WeakPolarHBondContact O-CA 3.4Å; I87-T113 PolarHBondContact O-N 2.86Å
88	A	93.4	Very high	91.2	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.025	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	147.2	-178	0	0	0	0	0	113	C60 V61 Y86 Q90 T113	C60-A88 PolarHBondContact O-N 2.87Å; V61-A88 WeakPolarHBondContact CA-O 3.49Å; V61-A88 HydrophobicContact CG1-CB 4.29Å; V61-A88 HydrophobicContact CG2-CB 4.36Å; Y86-A88 HydrophobicContact CD1-CB 4.36Å; Y86-A88 HydrophobicContact CE1-CB 3.59Å; A88-Q90 WeakPolarHBondContact O-CG 3.03Å; A88-Q90 PolarHBondContact O-N 2.86Å; A88-Q90 PolarHBondContact O-NE2 2.89Å; A88-T113 VanDerWaalsContact CA-O 3.31Å; A88-T113 WeakPolarHBondContact CA-O 3.38Å; A88-T113 HydrophobicContact CB-CG2 3.88Å
89	N	91	Very high	91.3	Very high	60 Å²	60	42.5 Å²	42.5	32%	0.321	23%	0.229	S	C	.	.	S	Bend	trans	63.2	17.2	178	-48.3	-39.4	0	0	0	114.8	P63 S91 T113 N114	P63-N89 HydrophobicContact CB-CB 4.41Å; N89-S91 PolarHBondContact O-N 2.83Å; N89-S91 VanDerWaalsContact O-N 3.12Å; N89-T113 PolarHBondContact N-O 3.34Å; N89-T113 VanDerWaalsContact N-O 3.13Å; N89-N114 CarbonylContact C-O 3.59Å; N89-N114 VanDerWaalsContact CA-O 3.23Å; N89-N114 WeakPolarHBondContact CA-O 3.03Å; N89-N114 PolarHBondContact OD1-ND2 3.46Å
90	Q	89.4	Confident	91.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.236	C	C	.	.			trans	-87.5	84.8	-170.9	-60.5	-54.1	-57.2	0	0	111.2	D62 G66 I67 I87 A88 S92 F93 S115	D62-Q90 PolarHBondContact O-NE2 2.85Å; G66-Q90 VanDerWaalsContact CA-OE1 3.23Å; I67-Q90 HydrophobicContact CD1-CG 4.39Å; I67-Q90 HydrophobicContact CG1-CB 4.18Å; I67-Q90 HydrophobicContact CG1-CG 3.87Å; I87-Q90 HydrophobicContact CG2-CB 4.07Å; I87-Q90 HydrophobicContact CG2-CG 3.58Å; A88-Q90 WeakPolarHBondContact O-CG 3.03Å; A88-Q90 PolarHBondContact O-N 2.86Å; A88-Q90 PolarHBondContact O-NE2 2.89Å; Q90-S92 PolarHBondContact O-N 2.02Å; Q90-F93 HydrophobicContact CB-CB 3.68Å; Q90-F93 PolarHBondContact O-N 3.48Å; Q90-F93 VanDerWaalsContact O-N 3.11Å; Q90-S115 PolarHBondContact N-OG 3.01Å; Q90-S115 WeakPolarHBondContact O-CB 3.39Å
91	S	86.9	Confident	91.7	Very high	63 Å²	63	40.8 Å²	40.8	44%	0.441	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.2	-175.1	71.2	0	0	0	0	115.2	N89 R116	N89-S91 PolarHBondContact O-N 2.83Å; N89-S91 VanDerWaalsContact O-N 3.12Å; S91-R116 WeakPolarHBondContact O-CD 3.48Å; S91-R116 WeakPolarHBondContact O-CG 3.49Å
92	S	88.1	Confident	91.9	Very high	65 Å²	65	42.1 Å²	42.1	46%	0.455	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-13.2	175.1	-62.9	0	0	0	0	113.7	I67 Q90	I67-S92 CarbonylContact O-C 3.53Å; I67-S92 WeakPolarHBondContact O-CB 3.33Å; Q90-S92 PolarHBondContact O-N 2.02Å
93	F	90.9	Very high	91.8	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	24%	0.237	C	C	.	.			trans	-83.1	121.6	-177.3	-173.3	-99.8	0	0	0	110.2	I67 F70 I87 Q90 S95 I96 V112 R116 L117	I67-F93 HydrophobicContact CD1-CD2 4.07Å; I67-F93 HydrophobicContact CG1-CB 4.38Å; I67-F93 HydrophobicContact CG1-CD2 4.22Å; I67-F93 PolarHBondContact O-N 2.82Å; F70-F93 HydrophobicContact CD2-CE2 4.1Å; F70-F93 AromaticContact CD2-CZ 3.85Å; F70-F93 HydrophobicContact CD2-CZ 3.85Å; F70-F93 HydrophobicContact CE2-CZ 4.37Å; I87-F93 HydrophobicContact CD1-CZ 4.39Å; I87-F93 HydrophobicContact CG2-CD1 4.41Å; Q90-F93 HydrophobicContact CB-CB 3.68Å; Q90-F93 PolarHBondContact O-N 3.48Å; Q90-F93 VanDerWaalsContact O-N 3.11Å; F93-S95 VanDerWaalsContact CZ-O 3.27Å; F93-S95 WeakPolarHBondContact CZ-O 3.21Å; F93-I96 HydrophobicContact CE1-CG1 4.12Å; F93-I96 HydrophobicContact CZ-CG1 3.89Å; F93-V112 HydrophobicContact CD1-CG1 3.87Å; F93-V112 HydrophobicContact CE1-CG1 3.79Å; F93-V112 HydrophobicContact CE1-CG2 4.41Å; F93-R116 CarbonylContact O-C 3.47Å; F93-R116 WeakPolarHBondContact O-CA 3.31Å; F93-R116 PolarHBondContact O-N 3.4Å; F93-L117 HydrophobicContact CE1-CD1 4.06Å; F93-L117 PolarHBondContact O-N 2.95Å
94	S	91.2	Very high	91.8	Very high	50 Å²	50	45.6 Å²	45.6	35%	0.35	23%	0.232	S	C	.	.			trans	-132.9	-20	-165.3	56	0	0	0	0	116.4	R116 T118 Y119	S94-R116 WeakPolarHBondContact CA-O 3.17Å; S94-T118 PolarHBondContact O-N 2.85Å; S94-T118 PolarHBondContact O-OG1 2.78Å; S94-T118 VanDerWaalsContact O-OG1 3.11Å; S94-Y119 PolarHBondContact O-N 3Å
95	S	93.7	Very high	91.6	Very high	33 Å²	33	47.9 Å²	47.9	23%	0.231	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.3	178.6	61.2	0	0	0	0	113.3	F93 N97 Y119	F93-S95 VanDerWaalsContact CZ-O 3.27Å; F93-S95 WeakPolarHBondContact CZ-O 3.21Å; S95-N97 PolarHBondContact OG-ND2 2.79Å; S95-Y119 CarbonylContact C-O 3.42Å; S95-Y119 VanDerWaalsContact CA-O 3.29Å; S95-Y119 WeakPolarHBondContact CA-O 3.2Å
96	I	94.4	Very high	91.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.1	162.1	-56.9	170	0	0	0	107.5	F93 D100 L101 L110 V112 L117 Y119 V120 S121 A124	F93-I96 HydrophobicContact CE1-CG1 4.12Å; F93-I96 HydrophobicContact CZ-CG1 3.89Å; I96-D100 HydrophobicContact CG2-CB 4.36Å; I96-L101 HydrophobicContact CG2-CD1 3.94Å; I96-L110 HydrophobicContact CD1-CD2 4.49Å; I96-V112 HydrophobicContact CD1-CG2 4.25Å; I96-L117 HydrophobicContact CD1-CD1 4.35Å; I96-L117 HydrophobicContact CD1-CD2 4.15Å; I96-L117 HydrophobicContact CG1-CD1 3.94Å; I96-Y119 PolarHBondContact N-O 2.91Å; I96-V120 HydrophobicContact CB-CG1 4.39Å; I96-V120 HydrophobicContact CD1-CG2 4.22Å; I96-S121 PolarHBondContact O-N 3.22Å; I96-A124 HydrophobicContact CG2-CB 3.97Å
97	N	93.6	Very high	91.4	Very high	63 Å²	63	45.9 Å²	45.9	34%	0.337	24%	0.235	S	C	.	.			trans	-109.5	165.4	-170.9	-49.3	-86.3	0	0	0	111.2	S95 K99 D100	S95-N97 PolarHBondContact OG-ND2 2.79Å; N97-K99 PolarHBondContact O-N 2.84Å; N97-D100 WeakPolarHBondContact CB-OD2 3.43Å; N97-D100 PolarHBondContact N-OD2 2.95Å; N97-D100 PolarHBondContact ND2-OD2 2.85Å; N97-D100 PolarHBondContact O-N 2.91Å; N97-D100 VanDerWaalsContact O-N 3.12Å
98	D	89.8	Confident	91.4	Very high	70 Å²	70	48.5 Å²	48.5	37%	0.374	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.7	-170.7	-53.1	-56.3	0	0	0	115	S121 L123	D98-S121 WeakPolarHBondContact OD1-CB 3Å; D98-S121 PolarHBondContact OD1-OG 2.88Å; D98-S121 PolarHBondContact OD2-OG 2.88Å; D98-S121 VanDerWaalsContact OD2-OG 3.14Å; D98-L123 HydrophobicContact CB-CB 4.11Å; D98-L123 WeakPolarHBondContact OD1-CA 3.42Å; D98-L123 WeakPolarHBondContact OD1-CB 3.4Å; D98-L123 PolarHBondContact OD1-N 2.67Å; D98-L123 VanDerWaalsContact OD1-N 3.07Å
99	K	87.1	Confident	91.5	Very high	172 Å²	172	50.6 Å²	50.6	75%	0.748	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	-16.3	-179.7	-66.9	-171	176.7	-173.6	0	114.4	N97 L101 Y102	N97-K99 PolarHBondContact O-N 2.84Å; K99-L101 PolarHBondContact O-N 2.85Å; K99-L101 VanDerWaalsContact O-N 3.13Å; K99-Y102 WeakPolarHBondContact O-CB 2.99Å; K99-Y102 PolarHBondContact O-N 2.86Å; K99-Y102 VanDerWaalsContact O-N 3.15Å
100	D	91.4	Very high	91.8	Very high	37 Å²	37	47.7 Å²	47.7	20%	0.198	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-28.4	-168.8	-66.8	-0.7	0	0	0	112.2	F70 I96 N97	F70-D100 HydrophobicContact CB-CB 3.71Å; F70-D100 HydrophobicContact CD1-CB 4.31Å; F70-D100 VanDerWaalsContact CD1-O 3.26Å; F70-D100 WeakPolarHBondContact CD1-O 3.42Å; F70-D100 HydrophobicContact CD2-CB 4.19Å; F70-D100 HydrophobicContact CG-CB 3.82Å; I96-D100 HydrophobicContact CG2-CB 4.36Å; N97-D100 WeakPolarHBondContact CB-OD2 3.43Å; N97-D100 PolarHBondContact N-OD2 2.95Å; N97-D100 PolarHBondContact ND2-OD2 2.85Å; N97-D100 PolarHBondContact O-N 2.91Å; N97-D100 VanDerWaalsContact O-N 3.12Å
101	L	92.1	Very high	92.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	2.5	-178.5	-79.6	164.5	0	0	0	114.1	F70 I85 I96 K99 Y103 Y104 L107 L110 A124 F125 N128	F70-L101 HydrophobicContact CE1-CD2 3.53Å; F70-L101 HydrophobicContact CE1-CG 3.92Å; F70-L101 HydrophobicContact CE2-CD1 4.43Å; F70-L101 HydrophobicContact CE2-CD2 4.46Å; F70-L101 HydrophobicContact CE2-CG 4.33Å; F70-L101 HydrophobicContact CZ-CD1 4.16Å; F70-L101 HydrophobicContact CZ-CD2 3.47Å; F70-L101 VanDerWaalsContact CZ-CD2 3.47Å; F70-L101 HydrophobicContact CZ-CG 3.77Å; I85-L101 HydrophobicContact CD1-CD2 4.08Å; I96-L101 HydrophobicContact CG2-CD1 3.94Å; K99-L101 PolarHBondContact O-N 2.85Å; K99-L101 VanDerWaalsContact O-N 3.13Å; L101-Y103 VanDerWaalsContact C-N 3.3Å; L101-Y103 PolarHBondContact O-N 2.77Å; L101-Y104 HydrophobicContact CD2-CD2 4.17Å; L101-Y104 HydrophobicContact CD2-CG 4.33Å; L101-Y104 PolarHBondContact O-N 2.85Å; L101-L107 HydrophobicContact CD2-CD2 3.46Å; L101-L107 VanDerWaalsContact CD2-CD2 3.46Å; L101-L110 HydrophobicContact CD1-CD2 3.81Å; L101-A124 WeakPolarHBondContact CB-O 3.47Å; L101-F125 HydrophobicContact CD1-CD1 3.61Å; L101-F125 HydrophobicContact CD1-CE1 3.45Å; L101-F125 VanDerWaalsContact CD1-CE1 3.45Å; L101-N128 PolarHBondContact O-ND2 2.93Å; L101-N128 PolarHBondContact O-OD1 3.19Å
102	Y	91.6	Very high	92.5	Very high	127 Å²	127	45.3 Å²	45.3	50%	0.498	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-37	-169.7	177.2	-95.8	0	0	0	114.4	K99 S127	K99-Y102 WeakPolarHBondContact O-CB 2.99Å; K99-Y102 PolarHBondContact O-N 2.86Å; K99-Y102 VanDerWaalsContact O-N 3.15Å; Y102-S127 WeakPolarHBondContact CD2-OG 3.29Å; Y102-S127 WeakPolarHBondContact O-CB 3.45Å; Y102-S127 PolarHBondContact O-OG 2.91Å
103	Y	90.9	Very high	92.9	Very high	88 Å²	88	42.7 Å²	42.7	35%	0.345	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-14.2	-179.5	-64.3	-70.5	0	0	0	114	E76 M79 L101 K105	E76-Y103 HydrophobicContact CB-CD1 4.22Å; E76-Y103 HydrophobicContact CG-CD1 3.76Å; E76-Y103 HydrophobicContact CG-CE1 3.75Å; E76-Y103 HydrophobicContact CG-CG 4.35Å; E76-Y103 VanDerWaalsContact OE1-CE1 3.27Å; E76-Y103 WeakPolarHBondContact OE1-CE1 3.4Å; E76-Y103 PolarHBondContact OE1-OH 3.21Å; E76-Y103 WeakPolarHBondContact OE2-CE1 3.18Å; M79-Y103 HydrophobicContact CE-CD2 3.87Å; M79-Y103 HydrophobicContact CE-CG 3.95Å; L101-Y103 VanDerWaalsContact C-N 3.3Å; L101-Y103 PolarHBondContact O-N 2.77Å; Y103-K105 PolarHBondContact O-N 3.44Å
104	Y	92.6	Very high	92.9	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.008	23%	0.229	C	C	.	.			trans	-84.4	51.5	-174.1	-68.5	-81.8	0	0	0	112.1	I58 F70 P71 M79 I82 I85 L101 N106 L107 N128	I58-Y104 HydrophobicContact CD1-CE1 3.79Å; F70-Y104 HydrophobicContact CE1-CE2 4.39Å; P71-Y104 PolarHBondContact O-OH 2.83Å; P71-Y104 VanDerWaalsContact O-OH 3.06Å; M79-Y104 HydrophobicContact CB-CD1 3.97Å; M79-Y104 HydrophobicContact CB-CE1 3.68Å; M79-Y104 HydrophobicContact CB-CE2 4.31Å; M79-Y104 HydrophobicContact CB-CG 4.41Å; M79-Y104 HydrophobicContact CG-CE1 3.81Å; M79-Y104 HydrophobicContact CG-CE2 4.19Å; M79-Y104 VanDerWaalsContact O-CD1 3.25Å; M79-Y104 WeakPolarHBondContact O-CD1 3.3Å; M79-Y104 HydrophobicContact SD-CE1 4.45Å; M79-Y104 HydrophobicContact SD-CE2 3.76Å; M79-Y104 PolarHBondContact SD-OH 3Å; I82-Y104 HydrophobicContact CB-CD1 3.91Å; I82-Y104 HydrophobicContact CB-CE1 4.04Å; I82-Y104 HydrophobicContact CG1-CD1 4.38Å; I82-Y104 HydrophobicContact CG1-CE1 4.03Å; I82-Y104 HydrophobicContact CG2-CD1 4.21Å; I82-Y104 HydrophobicContact CG2-CE1 4.29Å; I85-Y104 HydrophobicContact CD1-CD1 3.84Å; I85-Y104 HydrophobicContact CD1-CE1 3.97Å; I85-Y104 HydrophobicContact CD1-CG 4.12Å; L101-Y104 HydrophobicContact CD2-CD2 4.17Å; L101-Y104 HydrophobicContact CD2-CG 4.33Å; L101-Y104 PolarHBondContact O-N 2.85Å; Y104-N106 PolarHBondContact O-N 2.84Å; Y104-N106 VanDerWaalsContact O-N 3.15Å; Y104-L107 WeakPolarHBondContact O-CB 3.41Å; Y104-L107 PolarHBondContact O-N 3.37Å; Y104-N128 PolarHBondContact O-ND2 3.01Å
105	K	90.8	Very high	92.9	Very high	91 Å²	91	45.3 Å²	45.3	40%	0.396	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.3	-168.8	-51.2	-172.1	-156.7	123.2	0	114.1	E80 Y103	E80-K105 WeakPolarHBondContact OE1-CD 3.29Å; E80-K105 IonicContact OE1-NZ 3.74Å; E80-K105 PolarHBondContact OE1-NZ 2.92Å; E80-K105 IonicContact OE2-NZ 2.72Å; E80-K105 PolarHBondContact OE2-NZ 3.39Å; Y103-K105 PolarHBondContact O-N 3.44Å
106	N	92.6	Very high	92.8	Very high	38 Å²	38	51.7 Å²	51.7	20%	0.203	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	7	-179.4	-67.4	-50.3	0	0	0	114.5	E80 I82 Y104 R108 R130	E80-N106 WeakPolarHBondContact O-CB 3.38Å; E80-N106 PolarHBondContact O-ND2 2.83Å; I82-N106 CarbonylContact O-C 3.59Å; Y104-N106 PolarHBondContact O-N 2.84Å; Y104-N106 VanDerWaalsContact O-N 3.15Å; N106-R108 PolarHBondContact O-N 2.83Å; N106-R130 WeakPolarHBondContact OD1-CD 3.41Å; N106-R130 PolarHBondContact OD1-NH1 3.27Å
107	L	93.8	Very high	92.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	23%	0.234	C	C	.	.			trans	-58.7	120.4	177	-173.2	68	0	0	0	111	I82 I85 L101 Y104 N109 L110 R130 L131	I82-L107 PolarHBondContact O-N 3Å; I85-L107 HydrophobicContact CB-CD1 4.08Å; I85-L107 HydrophobicContact CD1-CD1 3.83Å; I85-L107 HydrophobicContact CD1-CD2 4.21Å; I85-L107 HydrophobicContact CG1-CD1 3.63Å; L101-L107 HydrophobicContact CD2-CD2 3.46Å; L101-L107 VanDerWaalsContact CD2-CD2 3.46Å; Y104-L107 WeakPolarHBondContact O-CB 3.41Å; Y104-L107 PolarHBondContact O-N 3.37Å; L107-N109 WeakPolarHBondContact CD1-O 3.49Å; L107-L110 HydrophobicContact CD2-CB 4.31Å; L107-R130 CarbonylContact O-C 3.55Å; L107-L131 HydrophobicContact CD2-CD1 4.07Å; L107-L131 HydrophobicContact CG-CD1 3.96Å; L107-L131 VanDerWaalsContact O-CA 3.27Å; L107-L131 WeakPolarHBondContact O-CA 3.34Å; L107-L131 PolarHBondContact O-N 3.2Å
108	R	93.9	Very high	92.9	Very high	56 Å²	56	51.8 Å²	51.8	21%	0.211	24%	0.237	C	C	.	.			trans	-99.7	-39.4	176.4	-58	-179.7	-175.2	-104.5	1.5	111.7	T83 N106 Q132 Y133 T514 D515	T83-R108 HydrophobicContact CG2-CG 4.47Å; T83-R108 PolarHBondContact O-N 3.39Å; N106-R108 PolarHBondContact O-N 2.83Å; R108-Q132 PolarHBondContact O-N 3.44Å; R108-Y133 PolarHBondContact O-N 2.72Å; R108-Y133 VanDerWaalsContact O-N 3.11Å; R108-T514 PolarHBondContact NH1-O 2.84Å; R108-D515 IonicContact CZ-OD1 3.74Å; R108-D515 IonicContact CZ-OD2 3.97Å; R108-D515 VanDerWaalsContact NE-CG 3.33Å; R108-D515 IonicContact NE-OD1 2.77Å; R108-D515 PolarHBondContact NE-OD1 3.32Å; R108-D515 IonicContact NE-OD2 3.42Å; R108-D515 PolarHBondContact NE-OD2 3.11Å; R108-D515 IonicContact NH1-OD1 2.72Å; R108-D515 IonicContact NH2-OD1 2.73Å; R108-D515 IonicContact NH2-OD2 3.75Å; R108-D515 PolarHBondContact NH2-OD2 2.93Å
109	N	95.8	Very high	93	Very high	46 Å²	46	53.8 Å²	53.8	25%	0.246	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	119.8	-169.1	-56.8	-32.2	0	0	0	111.1	T83 D84 I85 L107 Y133	T83-N109 PolarHBondContact O-N 3.37Å; D84-N109 WeakPolarHBondContact CA-O 3.38Å; D84-N109 WeakPolarHBondContact OD1-CB 3.49Å; D84-N109 PolarHBondContact OD1-ND2 3.38Å; I85-N109 PolarHBondContact N-O 3.3Å; L107-N109 WeakPolarHBondContact CD1-O 3.49Å; N109-Y133 HydrophobicContact CB-CD1 4.44Å; N109-Y133 WeakPolarHBondContact OD1-CB 3.47Å
110	L	96.3	Very high	93.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.6	171.7	179.4	59.6	0	0	0	110.4	F70 I85 I96 L101 L107 V112 F125 L131 Y133 L134 N135	F70-L110 HydrophobicContact CZ-CD1 4.2Å; I85-L110 HydrophobicContact CB-CD1 3.85Å; I85-L110 HydrophobicContact CG2-CD1 3.8Å; I96-L110 HydrophobicContact CD1-CD2 4.49Å; L101-L110 HydrophobicContact CD1-CD2 3.81Å; L107-L110 HydrophobicContact CD2-CB 4.31Å; L110-V112 HydrophobicContact CD1-CG2 4.19Å; L110-V112 HydrophobicContact CG-CG2 4.45Å; L110-F125 HydrophobicContact CD2-CE1 3.63Å; L110-F125 HydrophobicContact CD2-CZ 4.11Å; L110-L131 HydrophobicContact CB-CD1 3.87Å; L110-Y133 PolarHBondContact N-O 3.08Å; L110-L134 HydrophobicContact CB-CD1 3.86Å; L110-L134 HydrophobicContact CD2-CD1 3.8Å; L110-L134 HydrophobicContact CG-CD1 3.87Å; L110-L134 WeakPolarHBondContact O-CA 3.43Å; L110-N135 PolarHBondContact O-N 3.1Å
111	T	97	Very high	93.5	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.08	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.5	169.8	-59.7	0	0	0	0	110	I85 Y86 I87 T113 N135	I85-T111 PolarHBondContact O-N 3.2Å; Y86-T111 HydrophobicContact CD2-CG2 3.81Å; Y86-T111 HydrophobicContact CE2-CG2 3.67Å; I87-T111 PolarHBondContact N-O 3.24Å; T111-T113 HydrophobicContact CG2-CG2 3.94Å; T111-N135 CarbonylContact C-O 3.56Å; T111-N135 WeakPolarHBondContact CA-O 3.25Å; T111-N135 HydrophobicContact CG2-CB 4.09Å
112	V	95.5	Very high	93.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	112.8	167	-177.1	0	0	0	0	107	I87 F93 I96 L110 L117 N135 L136 N139	I87-V112 HydrophobicContact CB-CG1 4.43Å; I87-V112 HydrophobicContact CB-CG2 4.21Å; I87-V112 HydrophobicContact CD1-CG2 4.3Å; I87-V112 HydrophobicContact CG2-CG1 4.24Å; I87-V112 CarbonylContact O-C 3.57Å; I87-V112 VanDerWaalsContact O-CA 3.29Å; I87-V112 WeakPolarHBondContact O-CA 3.4Å; F93-V112 HydrophobicContact CD1-CG1 3.87Å; F93-V112 HydrophobicContact CE1-CG1 3.79Å; F93-V112 HydrophobicContact CE1-CG2 4.41Å; I96-V112 HydrophobicContact CD1-CG2 4.25Å; L110-V112 HydrophobicContact CD1-CG2 4.19Å; L110-V112 HydrophobicContact CG-CG2 4.45Å; V112-L117 HydrophobicContact CB-CD2 4.38Å; V112-L117 HydrophobicContact CG1-CB 4.36Å; V112-L117 HydrophobicContact CG1-CD2 4.1Å; V112-N135 PolarHBondContact N-O 3.4Å; V112-L136 HydrophobicContact CB-CD2 3.92Å; V112-L136 HydrophobicContact CG2-CD2 4.2Å; V112-L136 CarbonylContact O-C 3.53Å; V112-L136 WeakPolarHBondContact O-CA 3.26Å; V112-N139 PolarHBondContact O-ND2 3.02Å
113	T	95.2	Very high	93.2	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.055	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	154.9	-171.7	-169.9	0	0	0	0	114.4	I87 A88 N89 T111 S115 K137	I87-T113 PolarHBondContact O-N 2.86Å; A88-T113 VanDerWaalsContact CA-O 3.31Å; A88-T113 WeakPolarHBondContact CA-O 3.38Å; A88-T113 HydrophobicContact CB-CG2 3.88Å; N89-T113 PolarHBondContact N-O 3.34Å; N89-T113 VanDerWaalsContact N-O 3.13Å; T111-T113 HydrophobicContact CG2-CG2 3.94Å; T113-S115 PolarHBondContact O-N 2.97Å; T113-S115 VanDerWaalsContact O-N 3.14Å; T113-S115 PolarHBondContact O-OG 2.85Å; T113-K137 VanDerWaalsContact CA-O 3.23Å; T113-K137 WeakPolarHBondContact CA-O 3.47Å; T113-K137 WeakPolarHBondContact CB-O 3.34Å; T113-K137 WeakPolarHBondContact OG1-CE 3.28Å; T113-K137 WeakPolarHBondContact OG1-CG 3.4Å; T113-K137 PolarHBondContact OG1-O 3.26Å
114	N	91.7	Very high	93.2	Very high	98 Å²	98	44.7 Å²	44.7	52%	0.524	21%	0.209	S	C	.	.	S	Bend	trans	49.4	40.5	-178.3	-165.3	35.7	0	0	0	112.4	N89 D138	N89-N114 CarbonylContact C-O 3.59Å; N89-N114 VanDerWaalsContact CA-O 3.23Å; N89-N114 WeakPolarHBondContact CA-O 3.03Å; N89-N114 PolarHBondContact OD1-ND2 3.46Å; N114-D138 WeakPolarHBondContact CA-O 3.2Å; N114-D138 PolarHBondContact N-O 3.49Å
115	S	91.3	Very high	93.2	Very high	9 Å²	9	44.7 Å²	44.7	6%	0.063	21%	0.209	C	C	.	.	S	Bend	trans	-130.9	177.4	-170.6	-60.1	0	0	0	0	109.4	Q90 T113 D138 N139	Q90-S115 PolarHBondContact N-OG 3.01Å; Q90-S115 WeakPolarHBondContact O-CB 3.39Å; T113-S115 PolarHBondContact O-N 2.97Å; T113-S115 VanDerWaalsContact O-N 3.14Å; T113-S115 PolarHBondContact O-OG 2.85Å; S115-D138 PolarHBondContact N-O 2.81Å; S115-N139 VanDerWaalsContact C-OD1 3.28Å; S115-N139 WeakPolarHBondContact CA-OD1 3.25Å; S115-N139 VanDerWaalsContact CB-OD1 3.3Å; S115-N139 WeakPolarHBondContact CB-OD1 3.45Å; S115-N139 PolarHBondContact N-OD1 2.66Å; S115-N139 WeakPolarHBondContact O-CA 3.06Å; S115-N139 PolarHBondContact O-OD1 2.87Å
116	R	91.5	Very high	93.2	Very high	167 Å²	167	45.4 Å²	45.4	63%	0.63	21%	0.214	S	C	*	.			trans	-99.9	28.6	-176.4	-68.9	-162.2	-176.6	165.8	-0.1	114.2	S91 F93 S94 T118	S91-R116 WeakPolarHBondContact O-CD 3.48Å; S91-R116 WeakPolarHBondContact O-CG 3.49Å; F93-R116 CarbonylContact O-C 3.47Å; F93-R116 WeakPolarHBondContact O-CA 3.31Å; F93-R116 PolarHBondContact O-N 3.4Å; S94-R116 WeakPolarHBondContact CA-O 3.17Å; R116-T118 PolarHBondContact O-N 2.85Å
117	L	95.1	Very high	93	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.216	C	C	.	.			trans	-58.4	119.5	178.5	-178.1	66.5	0	0	0	110.6	F93 I96 V112 Y119 V120 L136 N139 N140 L141	F93-L117 HydrophobicContact CE1-CD1 4.06Å; F93-L117 PolarHBondContact O-N 2.95Å; I96-L117 HydrophobicContact CD1-CD1 4.35Å; I96-L117 HydrophobicContact CD1-CD2 4.15Å; I96-L117 HydrophobicContact CG1-CD1 3.94Å; V112-L117 HydrophobicContact CB-CD2 4.38Å; V112-L117 HydrophobicContact CG1-CB 4.36Å; V112-L117 HydrophobicContact CG1-CD2 4.1Å; L117-Y119 VanDerWaalsContact CD1-O 3.32Å; L117-Y119 WeakPolarHBondContact CD1-O 3.46Å; L117-V120 HydrophobicContact CD1-CG2 4.33Å; L117-V120 HydrophobicContact CD2-CG2 3.97Å; L117-V120 HydrophobicContact CG-CG2 4.38Å; L117-L136 HydrophobicContact CD2-CD2 3.86Å; L117-N139 HydrophobicContact CB-CB 3.97Å; L117-N140 CarbonylContact O-C 3.57Å; L117-N140 WeakPolarHBondContact O-CA 3.39Å; L117-N140 PolarHBondContact O-N 3.2Å; L117-L141 HydrophobicContact CD2-CD1 4.46Å; L117-L141 HydrophobicContact CD2-CD2 4.39Å; L117-L141 HydrophobicContact CG-CD2 4.05Å; L117-L141 PolarHBondContact O-N 2.68Å
118	T	94.2	Very high	93	Very high	64 Å²	64	45.4 Å²	45.4	39%	0.393	22%	0.216	S	C	.	.			trans	-116.1	-20.7	178.5	49.7	0	0	0	0	113.3	S94 R116 N140	S94-T118 PolarHBondContact O-N 2.85Å; S94-T118 PolarHBondContact O-OG1 2.78Å; S94-T118 VanDerWaalsContact O-OG1 3.11Å; R116-T118 PolarHBondContact O-N 2.85Å; T118-N140 HydrophobicContact CG2-CB 3.87Å; T118-N140 VanDerWaalsContact CG2-ND2 3.28Å; T118-N140 WeakPolarHBondContact CG2-ND2 3.32Å
119	Y	93.6	Very high	92.9	Very high	113 Å²	113	48.4 Å²	48.4	44%	0.443	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.7	-174.6	179.3	-103.9	0	0	0	112.2	S94 S95 I96 L117 S121	S94-Y119 PolarHBondContact O-N 3Å; S95-Y119 CarbonylContact C-O 3.42Å; S95-Y119 VanDerWaalsContact CA-O 3.29Å; S95-Y119 WeakPolarHBondContact CA-O 3.2Å; I96-Y119 PolarHBondContact N-O 2.91Å; L117-Y119 VanDerWaalsContact CD1-O 3.32Å; L117-Y119 WeakPolarHBondContact CD1-O 3.46Å; Y119-S121 WeakPolarHBondContact OH-CA 3.49Å; Y119-S121 PolarHBondContact OH-OG 2.67Å
120	V	94.7	Very high	92.7	Very high	11 Å²	11	52.5 Å²	52.5	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.3	167.1	-178.9	0	0	0	0	107.4	I96 L117 A124 F125 L136 L141 L144 I148	I96-V120 HydrophobicContact CB-CG1 4.39Å; I96-V120 HydrophobicContact CD1-CG2 4.22Å; L117-V120 HydrophobicContact CD1-CG2 4.33Å; L117-V120 HydrophobicContact CD2-CG2 3.97Å; L117-V120 HydrophobicContact CG-CG2 4.38Å; V120-A124 HydrophobicContact CG1-CB 3.99Å; V120-F125 HydrophobicContact CG1-CE2 4.23Å; V120-F125 HydrophobicContact CG1-CZ 4.05Å; V120-L136 HydrophobicContact CG2-CD1 4.31Å; V120-L141 HydrophobicContact CG2-CD2 4.3Å; V120-L144 HydrophobicContact CB-CD1 4.15Å; V120-L144 HydrophobicContact CG2-CD1 4.36Å; V120-I148 HydrophobicContact CB-CD1 4.25Å; V120-I148 HydrophobicContact CG1-CD1 4.17Å; V120-I148 HydrophobicContact CG1-CG2 4.22Å
121	S	92.8	Very high	92.6	Very high	7 Å²	7	52.6 Å²	52.6	5%	0.049	25%	0.248	C	C	.	.			trans	-74.1	153.7	-173.7	-156.5	0	0	0	0	113.1	I96 D98 Y119 L123 A124	I96-S121 PolarHBondContact O-N 3.22Å; D98-S121 WeakPolarHBondContact OD1-CB 3Å; D98-S121 PolarHBondContact OD1-OG 2.88Å; D98-S121 PolarHBondContact OD2-OG 2.88Å; D98-S121 VanDerWaalsContact OD2-OG 3.14Å; Y119-S121 WeakPolarHBondContact OH-CA 3.49Å; Y119-S121 PolarHBondContact OH-OG 2.67Å; S121-L123 PolarHBondContact O-N 2.82Å; S121-A124 WeakPolarHBondContact O-CB 3.11Å; S121-A124 PolarHBondContact O-N 2.91Å; S121-A124 VanDerWaalsContact O-N 3.09Å
122	K	87.9	Confident	92.3	Very high	122 Å²	122	56.3 Å²	56.3	53%	0.53	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.3	-172.2	-70.1	178.2	-178.4	172.3	0	113.9
123	L	89.3	Confident	92.2	Very high	91 Å²	91	59.6 Å²	59.6	48%	0.476	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	7.7	178.5	-48.1	177.4	0	0	0	112.5	D98 S121 F125 Q126	D98-L123 HydrophobicContact CB-CB 4.11Å; D98-L123 WeakPolarHBondContact OD1-CA 3.42Å; D98-L123 WeakPolarHBondContact OD1-CB 3.4Å; D98-L123 PolarHBondContact OD1-N 2.67Å; D98-L123 VanDerWaalsContact OD1-N 3.07Å; S121-L123 PolarHBondContact O-N 2.82Å; L123-F125 PolarHBondContact O-N 2.92Å; L123-Q126 HydrophobicContact CB-CB 4.35Å; L123-Q126 VanDerWaalsContact O-CB 3.32Å; L123-Q126 WeakPolarHBondContact O-CB 3.5Å; L123-Q126 PolarHBondContact O-N 2.72Å
124	A	91.3	Very high	92.2	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.008	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24	-172.6	0	0	0	0	0	115.1	I96 L101 V120 S121	I96-A124 HydrophobicContact CG2-CB 3.97Å; L101-A124 WeakPolarHBondContact CB-O 3.47Å; V120-A124 HydrophobicContact CG1-CB 3.99Å; S121-A124 WeakPolarHBondContact O-CB 3.11Å; S121-A124 PolarHBondContact O-N 2.91Å; S121-A124 VanDerWaalsContact O-N 3.09Å
125	F	93.2	Very high	92.4	Very high	2 Å²	2	55 Å²	55	1%	0.009	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	12.1	179	-52.4	-43.5	0	0	0	113.7	L101 L110 V120 L123 S127 N128 L131 L134 I148 F149 L152	L101-F125 HydrophobicContact CD1-CD1 3.61Å; L101-F125 HydrophobicContact CD1-CE1 3.45Å; L101-F125 VanDerWaalsContact CD1-CE1 3.45Å; L110-F125 HydrophobicContact CD2-CE1 3.63Å; L110-F125 HydrophobicContact CD2-CZ 4.11Å; V120-F125 HydrophobicContact CG1-CE2 4.23Å; V120-F125 HydrophobicContact CG1-CZ 4.05Å; L123-F125 PolarHBondContact O-N 2.92Å; F125-S127 PolarHBondContact O-N 2.98Å; F125-S127 VanDerWaalsContact O-N 3.17Å; F125-N128 VanDerWaalsContact CA-OD1 3.31Å; F125-N128 WeakPolarHBondContact CA-OD1 3.2Å; F125-N128 PolarHBondContact O-N 3.43Å; F125-N128 PolarHBondContact O-OD1 3.25Å; F125-L131 HydrophobicContact CD1-CD2 4.02Å; F125-L131 HydrophobicContact CD2-CD2 4.26Å; F125-L131 HydrophobicContact CE1-CD2 4.31Å; F125-L131 HydrophobicContact CG-CD2 4.01Å; F125-L134 HydrophobicContact CE2-CD2 3.64Å; F125-L134 HydrophobicContact CZ-CD1 4.17Å; F125-L134 HydrophobicContact CZ-CD2 3.88Å; F125-I148 HydrophobicContact CD2-CG2 3.34Å; F125-I148 HydrophobicContact CE2-CG2 3.4Å; F125-I148 HydrophobicContact CG-CG2 4.44Å; F125-F149 HydrophobicContact CD2-CD1 4.43Å; F125-F149 HydrophobicContact CD2-CE1 4.04Å; F125-F149 AromaticContact CE2-CE1 3.76Å; F125-F149 HydrophobicContact CE2-CE1 3.76Å; F125-F149 HydrophobicContact CE2-CZ 4.38Å; F125-L152 HydrophobicContact CB-CD1 3.45Å; F125-L152 VanDerWaalsContact CB-CD1 3.45Å; F125-L152 HydrophobicContact CB-CD2 4.32Å; F125-L152 HydrophobicContact CB-CG 4.34Å; F125-L152 HydrophobicContact CD2-CD1 3.74Å; F125-L152 HydrophobicContact CG-CD1 3.93Å
126	Q	90.1	Very high	92.6	Very high	107 Å²	107	54.6 Å²	54.6	50%	0.5	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-30.9	-171.1	-172.6	177.3	3	0	0	113.5	L123	L123-Q126 HydrophobicContact CB-CB 4.35Å; L123-Q126 VanDerWaalsContact O-CB 3.32Å; L123-Q126 WeakPolarHBondContact O-CB 3.5Å; L123-Q126 PolarHBondContact O-N 2.72Å
127	S	89.6	Confident	92.8	Very high	37 Å²	37	49.9 Å²	49.9	26%	0.259	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-8.1	176.6	-59.9	0	0	0	0	114	Y102 F125 L129	Y102-S127 WeakPolarHBondContact CD2-OG 3.29Å; Y102-S127 WeakPolarHBondContact O-CB 3.45Å; Y102-S127 PolarHBondContact O-OG 2.91Å; F125-S127 PolarHBondContact O-N 2.98Å; F125-S127 VanDerWaalsContact O-N 3.17Å; S127-L129 PolarHBondContact O-N 2.58Å
128	N	93	Very high	92.7	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.251	C	S	.	.			trans	-105.7	48.2	-162.7	-48.5	91.9	0	0	0	111.5	L101 Y104 F125 R130 L131 L152	L101-N128 PolarHBondContact O-ND2 2.93Å; L101-N128 PolarHBondContact O-OD1 3.19Å; Y104-N128 PolarHBondContact O-ND2 3.01Å; F125-N128 VanDerWaalsContact CA-OD1 3.31Å; F125-N128 WeakPolarHBondContact CA-OD1 3.2Å; F125-N128 PolarHBondContact O-N 3.43Å; F125-N128 PolarHBondContact O-OD1 3.25Å; N128-R130 PolarHBondContact O-N 3.35Å; N128-L131 HydrophobicContact CB-CB 4.35Å; N128-L131 VanDerWaalsContact O-CB 3.24Å; N128-L131 WeakPolarHBondContact O-CB 3.43Å; N128-L131 PolarHBondContact O-N 3.04Å; N128-L152 VanDerWaalsContact O-CD2 3.32Å; N128-L152 WeakPolarHBondContact O-CD2 3.5Å
129	L	91.1	Very high	92.8	Very high	119 Å²	119	50.4 Å²	50.4	62%	0.623	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-10.8	-174.2	-56.5	178.8	0	0	0	114.8	S127 H151	S127-L129 PolarHBondContact O-N 2.58Å; L129-H151 HydrophobicContact CD2-CB 4.17Å; L129-H151 WeakPolarHBondContact CD2-O 3.41Å
130	R	92	Very high	92.9	Very high	133 Å²	133	49.1 Å²	49.1	50%	0.502	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-3.2	176.2	-67.6	179.4	171.2	-165.8	-7.4	113.8	N106 L107 N128 Q132	N106-R130 WeakPolarHBondContact OD1-CD 3.41Å; N106-R130 PolarHBondContact OD1-NH1 3.27Å; L107-R130 CarbonylContact O-C 3.55Å; N128-R130 PolarHBondContact O-N 3.35Å; R130-Q132 PolarHBondContact O-N 3.05Å
131	L	93.8	Very high	92.9	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	23%	0.233	C	C	.	.			trans	-69	119.8	179.8	-171.6	73.6	0	0	0	110.3	L107 L110 F125 N128 L152 I154	L107-L131 HydrophobicContact CD2-CD1 4.07Å; L107-L131 HydrophobicContact CG-CD1 3.96Å; L107-L131 VanDerWaalsContact O-CA 3.27Å; L107-L131 WeakPolarHBondContact O-CA 3.34Å; L107-L131 PolarHBondContact O-N 3.2Å; L110-L131 HydrophobicContact CB-CD1 3.87Å; F125-L131 HydrophobicContact CD1-CD2 4.02Å; F125-L131 HydrophobicContact CD2-CD2 4.26Å; F125-L131 HydrophobicContact CE1-CD2 4.31Å; F125-L131 HydrophobicContact CG-CD2 4.01Å; N128-L131 HydrophobicContact CB-CB 4.35Å; N128-L131 VanDerWaalsContact O-CB 3.24Å; N128-L131 WeakPolarHBondContact O-CB 3.43Å; N128-L131 PolarHBondContact O-N 3.04Å; L131-L152 HydrophobicContact CD2-CD1 4.15Å; L131-I154 HydrophobicContact CD2-CD1 4.07Å; L131-I154 HydrophobicContact CG-CD1 4.03Å
132	Q	91.1	Very high	92.9	Very high	91 Å²	91	50.4 Å²	50.4	43%	0.425	25%	0.245	S	C	.	.			trans	-121.5	-32.2	-178.5	-69.5	-179.3	4.6	0	0	112.7	R108 R130 S155 Y156	R108-Q132 PolarHBondContact O-N 3.44Å; R130-Q132 PolarHBondContact O-N 3.05Å; Q132-S155 PolarHBondContact O-N 2.89Å; Q132-Y156 PolarHBondContact O-N 2.97Å; Q132-Y156 VanDerWaalsContact O-N 3.13Å
133	Y	94.3	Very high	93.1	Very high	69 Å²	69	46.8 Å²	46.8	27%	0.271	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.6	179.3	-178.8	-88.5	0	0	0	110.3	R108 N109 L110 N135 Y156 I158	R108-Y133 PolarHBondContact O-N 2.72Å; R108-Y133 VanDerWaalsContact O-N 3.11Å; N109-Y133 HydrophobicContact CB-CD1 4.44Å; N109-Y133 WeakPolarHBondContact OD1-CB 3.47Å; L110-Y133 PolarHBondContact N-O 3.08Å; Y133-N135 HydrophobicContact CD1-CB 4.45Å; Y133-N135 HydrophobicContact CE1-CB 3.57Å; Y133-N135 PolarHBondContact OH-ND2 3.47Å; Y133-Y156 HydrophobicContact CD2-CD2 4.24Å; Y133-Y156 HydrophobicContact CD2-CG 4.28Å; Y133-I158 HydrophobicContact CE2-CD1 4.22Å; Y133-I158 WeakPolarHBondContact OH-CD1 3.38Å
134	L	95.1	Very high	93.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	116.4	175.5	-178.1	60.4	0	0	0	111.2	L110 F125 L136 F149 I154 Y156 L157 I158	L110-L134 HydrophobicContact CB-CD1 3.86Å; L110-L134 HydrophobicContact CD2-CD1 3.8Å; L110-L134 HydrophobicContact CG-CD1 3.87Å; L110-L134 WeakPolarHBondContact O-CA 3.43Å; F125-L134 HydrophobicContact CE2-CD2 3.64Å; F125-L134 HydrophobicContact CZ-CD1 4.17Å; F125-L134 HydrophobicContact CZ-CD2 3.88Å; L134-L136 HydrophobicContact CD1-CD1 4.39Å; L134-L136 HydrophobicContact CD1-CD2 3.84Å; L134-L136 HydrophobicContact CD1-CG 3.94Å; L134-L136 HydrophobicContact CD2-CD1 4.11Å; L134-L136 HydrophobicContact CD2-CG 4.39Å; L134-L136 HydrophobicContact CG-CD1 4.27Å; L134-L136 HydrophobicContact CG-CD2 4.45Å; L134-L136 HydrophobicContact CG-CG 3.99Å; L134-F149 HydrophobicContact CD2-CE1 3.45Å; L134-F149 VanDerWaalsContact CD2-CE1 3.45Å; L134-F149 HydrophobicContact CD2-CZ 3.92Å; L134-I154 HydrophobicContact CB-CD1 4.31Å; L134-Y156 PolarHBondContact N-O 2.92Å; L134-L157 HydrophobicContact CB-CD1 4.08Å; L134-L157 HydrophobicContact CD2-CD1 3.83Å; L134-L157 HydrophobicContact CG-CD1 3.95Å; L134-L157 WeakPolarHBondContact O-CA 3.48Å; L134-I158 PolarHBondContact O-N 2.56Å
135	N	95.6	Very high	93.2	Very high	12 Å²	12	44.1 Å²	44.1	6%	0.064	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	107.4	178.6	178.9	1.2	0	0	0	109.8	L110 T111 V112 Y133 K137 I158	L110-N135 PolarHBondContact O-N 3.1Å; T111-N135 CarbonylContact C-O 3.56Å; T111-N135 WeakPolarHBondContact CA-O 3.25Å; T111-N135 HydrophobicContact CG2-CB 4.09Å; V112-N135 PolarHBondContact N-O 3.4Å; Y133-N135 HydrophobicContact CD1-CB 4.45Å; Y133-N135 HydrophobicContact CE1-CB 3.57Å; Y133-N135 PolarHBondContact OH-ND2 3.47Å; N135-K137 WeakPolarHBondContact OD1-CB 3.38Å; N135-K137 WeakPolarHBondContact OD1-CD 3.47Å; N135-K137 WeakPolarHBondContact OD1-CG 3.38Å; N135-K137 PolarHBondContact OD1-N 3.2Å; N135-I158 HydrophobicContact CB-CB 4.31Å; N135-I158 HydrophobicContact CB-CD1 4.37Å; N135-I158 HydrophobicContact CB-CG1 4.49Å
136	L	95.6	Very high	93.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.227	C	C	.	.			trans	-113.5	25	177.8	-57.4	178.8	0	0	0	111.5	V112 L117 V120 L134 N139 L141 I158 L159 N162	V112-L136 HydrophobicContact CB-CD2 3.92Å; V112-L136 HydrophobicContact CG2-CD2 4.2Å; V112-L136 CarbonylContact O-C 3.53Å; V112-L136 WeakPolarHBondContact O-CA 3.26Å; L117-L136 HydrophobicContact CD2-CD2 3.86Å; V120-L136 HydrophobicContact CG2-CD1 4.31Å; L134-L136 HydrophobicContact CD1-CD1 4.39Å; L134-L136 HydrophobicContact CD1-CD2 3.84Å; L134-L136 HydrophobicContact CD1-CG 3.94Å; L134-L136 HydrophobicContact CD2-CD1 4.11Å; L134-L136 HydrophobicContact CD2-CG 4.39Å; L134-L136 HydrophobicContact CG-CD1 4.27Å; L134-L136 HydrophobicContact CG-CD2 4.45Å; L134-L136 HydrophobicContact CG-CG 3.99Å; L136-N139 PolarHBondContact O-ND2 2.97Å; L136-L141 HydrophobicContact CB-CD1 3.98Å; L136-L141 HydrophobicContact CD1-CD1 3.97Å; L136-I158 CarbonylContact C-O 3.56Å; L136-I158 PolarHBondContact N-O 2.88Å; L136-L159 HydrophobicContact CB-CD2 4.1Å; L136-N162 PolarHBondContact O-ND2 3.07Å
137	K	94.5	Very high	93	Very high	68 Å²	68	43.1 Å²	43.1	30%	0.296	22%	0.215	S	C	.	.			trans	-66.1	151.9	-175.8	81.5	-174.9	-169.1	82.9	0	113	T113 N135 N139 I158 S160	T113-K137 VanDerWaalsContact CA-O 3.23Å; T113-K137 WeakPolarHBondContact CA-O 3.47Å; T113-K137 WeakPolarHBondContact CB-O 3.34Å; T113-K137 WeakPolarHBondContact OG1-CE 3.28Å; T113-K137 WeakPolarHBondContact OG1-CG 3.4Å; T113-K137 PolarHBondContact OG1-O 3.26Å; N135-K137 WeakPolarHBondContact OD1-CB 3.38Å; N135-K137 WeakPolarHBondContact OD1-CD 3.47Å; N135-K137 WeakPolarHBondContact OD1-CG 3.38Å; N135-K137 PolarHBondContact OD1-N 3.2Å; K137-N139 PolarHBondContact O-ND2 2.99Å; K137-N139 VanDerWaalsContact O-ND2 3.16Å; K137-I158 HydrophobicContact CB-CG2 3.95Å; K137-I158 HydrophobicContact CD-CG2 4.39Å; K137-I158 PolarHBondContact N-O 3.36Å; K137-S160 CarbonylContact C-O 3.59Å; K137-S160 WeakPolarHBondContact CA-O 3.45Å; K137-S160 WeakPolarHBondContact CB-O 3.39Å
138	D	94.4	Very high	93.1	Very high	64 Å²	64	41.8 Å²	41.8	34%	0.342	21%	0.205	S	C	.	.	S	Bend	trans	57.7	47	175.8	-50.8	-49.1	0	0	0	112.5	N114 S115 S160	N114-D138 WeakPolarHBondContact CA-O 3.2Å; N114-D138 PolarHBondContact N-O 3.49Å; S115-D138 PolarHBondContact N-O 2.81Å; D138-S160 PolarHBondContact N-O 3.38Å
139	N	95.4	Very high	92.9	Very high	11 Å²	11	43 Å²	43	6%	0.059	21%	0.21	C	C	.	.	S	Bend	trans	-119.5	-167.5	172.5	-68.7	-78.4	0	0	0	111.4	V112 S115 L117 L136 K137 N162 P163	V112-N139 PolarHBondContact O-ND2 3.02Å; S115-N139 VanDerWaalsContact C-OD1 3.28Å; S115-N139 WeakPolarHBondContact CA-OD1 3.25Å; S115-N139 VanDerWaalsContact CB-OD1 3.3Å; S115-N139 WeakPolarHBondContact CB-OD1 3.45Å; S115-N139 PolarHBondContact N-OD1 2.66Å; S115-N139 WeakPolarHBondContact O-CA 3.06Å; S115-N139 PolarHBondContact O-OD1 2.87Å; L117-N139 HydrophobicContact CB-CB 3.97Å; L136-N139 PolarHBondContact O-ND2 2.97Å; K137-N139 PolarHBondContact O-ND2 2.99Å; K137-N139 VanDerWaalsContact O-ND2 3.16Å; N139-N162 WeakPolarHBondContact CA-OD1 3.38Å; N139-N162 VanDerWaalsContact CB-OD1 3.28Å; N139-N162 WeakPolarHBondContact CB-OD1 3.15Å; N139-N162 PolarHBondContact N-OD1 3.49Å; N139-N162 PolarHBondContact O-OD1 3.33Å; N139-P163 VanDerWaalsContact O-CD 3.29Å; N139-P163 WeakPolarHBondContact O-CD 3.41Å
140	N	95	Very high	92.5	Very high	86 Å²	86	40.3 Å²	40.3	46%	0.46	19%	0.193	S	C	.	.			trans	-111.7	29.8	-176.6	-161.9	49.2	0	0	0	112.2	L117 T118 S142	L117-N140 CarbonylContact O-C 3.57Å; L117-N140 WeakPolarHBondContact O-CA 3.39Å; L117-N140 PolarHBondContact O-N 3.2Å; T118-N140 HydrophobicContact CG2-CB 3.87Å; T118-N140 VanDerWaalsContact CG2-ND2 3.28Å; T118-N140 WeakPolarHBondContact CG2-ND2 3.32Å; N140-S142 PolarHBondContact O-N 2.76Å
141	L	94.9	Very high	92	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.195	C	C	.	.			trans	-70.3	121	178.4	-64.5	169.7	0	0	0	110.4	L117 V120 L136 N162 P163 L164	L117-L141 HydrophobicContact CD2-CD1 4.46Å; L117-L141 HydrophobicContact CD2-CD2 4.39Å; L117-L141 HydrophobicContact CG-CD2 4.05Å; L117-L141 PolarHBondContact O-N 2.68Å; V120-L141 HydrophobicContact CG2-CD2 4.3Å; L136-L141 HydrophobicContact CB-CD1 3.98Å; L136-L141 HydrophobicContact CD1-CD1 3.97Å; L141-N162 HydrophobicContact CB-CB 4.28Å; L141-N162 VanDerWaalsContact CB-OD1 3.31Å; L141-N162 WeakPolarHBondContact CB-OD1 3.2Å; L141-N162 PolarHBondContact N-OD1 3.02Å; L141-N162 VanDerWaalsContact N-OD1 3.11Å; L141-P163 CarbonylContact O-C 3.57Å; L141-P163 WeakPolarHBondContact O-CD 3.16Å; L141-L164 PolarHBondContact O-N 3.38Å
142	S	93.4	Very high	91.8	Very high	43 Å²	43	40.5 Å²	40.5	30%	0.301	20%	0.2	S	C	.	.	S	Bend	trans	-98.4	-28	177.1	67.3	0	0	0	0	112.7	N140 L164 H165 N170	N140-S142 PolarHBondContact O-N 2.76Å; S142-L164 CarbonylContact O-C 3.44Å; S142-L164 WeakPolarHBondContact O-CA 3.16Å; S142-H165 PolarHBondContact O-N 2.99Å; S142-N170 PolarHBondContact O-ND2 3.17Å
143	S	92.4	Very high	91.5	Very high	47 Å²	47	42.4 Å²	42.4	33%	0.329	21%	0.213	S	C	.	.			trans	-142.5	156.3	167.4	62	0	0	0	0	111.6	N170	S143-N170 WeakPolarHBondContact CA-OD1 3.34Å
144	L	92.3	Very high	91.2	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.037	20%	0.204	C	C	.	.			trans	-143.5	136	174	-171.7	68.1	0	0	0	108.1	V120 I148 F149 L159 N170 W172 I173	V120-L144 HydrophobicContact CB-CD1 4.15Å; V120-L144 HydrophobicContact CG2-CD1 4.36Å; L144-I148 HydrophobicContact CD1-CD1 3.68Å; L144-I148 HydrophobicContact CG-CD1 4.36Å; L144-F149 HydrophobicContact CD2-CE2 4Å; L144-F149 HydrophobicContact CD2-CZ 4.03Å; L144-F149 HydrophobicContact CG-CE2 4.2Å; L144-F149 HydrophobicContact CG-CZ 4.43Å; L144-L159 HydrophobicContact CD2-CD1 4.17Å; L144-L159 HydrophobicContact CD2-CD2 3.9Å; L144-N170 PolarHBondContact N-OD1 3.14Å; L144-W172 HydrophobicContact CB-CZ2 4.32Å; L144-W172 HydrophobicContact CD2-CH2 4.32Å; L144-W172 HydrophobicContact CD2-CZ2 4.01Å; L144-W172 HydrophobicContact CG-CZ2 4.05Å; L144-W172 PolarHBondContact O-NE1 3.08Å; L144-I173 HydrophobicContact CB-CD1 4.46Å
145	S	90.8	Very high	90.7	Very high	29 Å²	29	42.5 Å²	42.5	20%	0.203	22%	0.223	C	C	.	.			trans	-101.5	126.1	-173.5	164.8	0	0	0	0	111.7	R147 I148	S145-R147 PolarHBondContact O-N 2.8Å; S145-R147 PolarHBondContact OG-N 3.47Å; S145-I148 VanDerWaalsContact O-CB 3.26Å; S145-I148 WeakPolarHBondContact O-CB 3.34Å; S145-I148 WeakPolarHBondContact O-CD1 3.31Å; S145-I148 VanDerWaalsContact O-CG1 3.24Å; S145-I148 WeakPolarHBondContact O-CG1 3.42Å; S145-I148 PolarHBondContact O-N 3.19Å
146	W	90.2	Very high	90.3	Very high	22 Å²	22	48 Å²	48	8%	0.083	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-53.7	-30.5	179	68.6	-94.7	0	0	0	114.2	I148 F149 K150 W172 E280 N281 E285	W146-I148 PolarHBondContact O-N 3.42Å; W146-I148 VanDerWaalsContact O-N 3.07Å; W146-F149 WeakPolarHBondContact O-CA 3.12Å; W146-F149 WeakPolarHBondContact O-CB 3.08Å; W146-F149 PolarHBondContact O-N 3.21Å; W146-K150 HydrophobicContact CE3-CB 4.48Å; W146-K150 HydrophobicContact CH2-CD 4.04Å; W146-K150 HydrophobicContact CZ3-CB 4.05Å; W146-K150 HydrophobicContact CZ3-CD 3.78Å; W146-K150 HydrophobicContact CZ3-CG 4.04Å; W146-W172 HydrophobicContact CB-CB 4.04Å; W146-W172 HydrophobicContact CB-CD2 3.48Å; W146-W172 VanDerWaalsContact CB-CD2 3.48Å; W146-W172 HydrophobicContact CB-CE3 3.89Å; W146-W172 HydrophobicContact CB-CG 3.53Å; W146-W172 HydrophobicContact CG-CB 4.43Å; W146-W172 HydrophobicContact CG-CG 4.26Å; W146-E280 HydrophobicContact CH2-CB 4.12Å; W146-E280 HydrophobicContact CZ2-CB 4.02Å; W146-N281 PolarHBondContact NE1-O 2.86Å; W146-E285 HydrophobicContact CH2-CB 3.8Å; W146-E285 HydrophobicContact CH2-CG 3.89Å; W146-E285 WeakPolarHBondContact CH2-OE2 3.36Å; W146-E285 HydrophobicContact CZ2-CB 4.28Å; W146-E285 HydrophobicContact CZ3-CB 4.37Å; W146-E285 HydrophobicContact CZ3-CG 3.95Å; W146-E285 WeakPolarHBondContact CZ3-OE2 3.32Å
147	R	88.6	Confident	90.2	Very high	65 Å²	65	48.1 Å²	48.1	25%	0.245	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-54.9	-25.9	177.4	-66.2	-178.2	172	119.3	-16.7	113.9	S145 F149 K150 E280	S145-R147 PolarHBondContact O-N 2.8Å; S145-R147 PolarHBondContact OG-N 3.47Å; R147-F149 PolarHBondContact O-N 3.3Å; R147-F149 VanDerWaalsContact O-N 3.15Å; R147-K150 WeakPolarHBondContact O-CB 3.29Å; R147-K150 PolarHBondContact O-N 3.47Å; R147-E280 IonicContact CZ-OE1 3.46Å; R147-E280 IonicContact NE-OE1 3.06Å; R147-E280 PolarHBondContact NE-OE1 3.43Å; R147-E280 IonicContact NH2-OE1 3.75Å; R147-E280 PolarHBondContact NH2-OE1 3.48Å
148	I	90.6	Very high	90.1	Very high	9 Å²	9	46.8 Å²	46.8	5%	0.046	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-57.7	-24.8	173.1	-64.8	166.6	0	0	0	111.5	V120 F125 L144 S145 W146	V120-I148 HydrophobicContact CB-CD1 4.25Å; V120-I148 HydrophobicContact CG1-CD1 4.17Å; V120-I148 HydrophobicContact CG1-CG2 4.22Å; F125-I148 HydrophobicContact CD2-CG2 3.34Å; F125-I148 HydrophobicContact CE2-CG2 3.4Å; F125-I148 HydrophobicContact CG-CG2 4.44Å; L144-I148 HydrophobicContact CD1-CD1 3.68Å; L144-I148 HydrophobicContact CG-CD1 4.36Å; S145-I148 VanDerWaalsContact O-CB 3.26Å; S145-I148 WeakPolarHBondContact O-CB 3.34Å; S145-I148 WeakPolarHBondContact O-CD1 3.31Å; S145-I148 VanDerWaalsContact O-CG1 3.24Å; S145-I148 WeakPolarHBondContact O-CG1 3.42Å; S145-I148 PolarHBondContact O-N 3.19Å; W146-I148 PolarHBondContact O-N 3.42Å; W146-I148 VanDerWaalsContact O-N 3.07Å
149	F	88.8	Confident	90.1	Very high	25 Å²	25	43.8 Å²	43.8	11%	0.11	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-109.7	0.7	-175.8	-49.5	-65.1	0	0	0	113.8	F125 L134 L144 W146 R147 H151 L152 I154 L157 W172	F125-F149 HydrophobicContact CD2-CD1 4.43Å; F125-F149 HydrophobicContact CD2-CE1 4.04Å; F125-F149 AromaticContact CE2-CE1 3.76Å; F125-F149 HydrophobicContact CE2-CE1 3.76Å; F125-F149 HydrophobicContact CE2-CZ 4.38Å; L134-F149 HydrophobicContact CD2-CE1 3.45Å; L134-F149 VanDerWaalsContact CD2-CE1 3.45Å; L134-F149 HydrophobicContact CD2-CZ 3.92Å; L144-F149 HydrophobicContact CD2-CE2 4Å; L144-F149 HydrophobicContact CD2-CZ 4.03Å; L144-F149 HydrophobicContact CG-CE2 4.2Å; L144-F149 HydrophobicContact CG-CZ 4.43Å; W146-F149 WeakPolarHBondContact O-CA 3.12Å; W146-F149 WeakPolarHBondContact O-CB 3.08Å; W146-F149 PolarHBondContact O-N 3.21Å; R147-F149 PolarHBondContact O-N 3.3Å; R147-F149 VanDerWaalsContact O-N 3.15Å; F149-H151 PolarHBondContact O-N 2.83Å; F149-L152 HydrophobicContact CD1-CD1 4.08Å; F149-L152 PolarHBondContact O-N 3.08Å; F149-I154 HydrophobicContact CD1-CD1 4.49Å; F149-I154 HydrophobicContact CD1-CG1 3.89Å; F149-L157 HydrophobicContact CZ-CD1 4.45Å; F149-W172 AromaticContact CD2-CH2 3.59Å; F149-W172 HydrophobicContact CD2-CH2 3.59Å; F149-W172 HydrophobicContact CD2-CZ2 4.16Å; F149-W172 HydrophobicContact CD2-CZ3 4.15Å; F149-W172 AromaticContact CE2-CH2 3.41Å; F149-W172 HydrophobicContact CE2-CH2 3.41Å; F149-W172 VanDerWaalsContact CE2-CH2 3.41Å; F149-W172 AromaticContact CE2-CZ2 3.79Å; F149-W172 HydrophobicContact CE2-CZ2 3.79Å; F149-W172 HydrophobicContact CE2-CZ3 4.37Å
150	K	82.6	Confident	89.9	Confident	64 Å²	64	44.8 Å²	44.8	28%	0.278	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.8	-173.6	-177.4	167.5	175.9	140.8	0	114.4	W146 R147 M278 E280 E285	W146-K150 HydrophobicContact CE3-CB 4.48Å; W146-K150 HydrophobicContact CH2-CD 4.04Å; W146-K150 HydrophobicContact CZ3-CB 4.05Å; W146-K150 HydrophobicContact CZ3-CD 3.78Å; W146-K150 HydrophobicContact CZ3-CG 4.04Å; R147-K150 WeakPolarHBondContact O-CB 3.29Å; R147-K150 PolarHBondContact O-N 3.47Å; K150-M278 PolarHBondContact NZ-SD 2.69Å; K150-M278 VanDerWaalsContact NZ-SD 3.38Å; K150-E280 IonicContact NZ-OE2 3.27Å; K150-E280 PolarHBondContact NZ-OE2 2.83Å; K150-E285 VanDerWaalsContact CE-OE2 3.24Å; K150-E285 WeakPolarHBondContact CE-OE2 3.47Å; K150-E285 IonicContact NZ-OE2 3.9Å; K150-E285 PolarHBondContact NZ-OE2 3.18Å
151	H	83.2	Confident	89.7	Confident	117 Å²	117	43.6 Å²	43.6	54%	0.542	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	11.8	179.6	-53.5	-50.6	0	0	0	113.6	L129 F149	L129-H151 HydrophobicContact CD2-CB 4.17Å; L129-H151 WeakPolarHBondContact CD2-O 3.41Å; F149-H151 PolarHBondContact O-N 2.83Å
152	L	88	Confident	89.7	Confident	21 Å²	21	44.1 Å²	44.1	11%	0.11	24%	0.242	C	C	.	.			trans	-120.9	137.7	-173.4	-55.5	179	0	0	0	111.5	F125 N128 L131 F149 I154	F125-L152 HydrophobicContact CB-CD1 3.45Å; F125-L152 VanDerWaalsContact CB-CD1 3.45Å; F125-L152 HydrophobicContact CB-CD2 4.32Å; F125-L152 HydrophobicContact CB-CG 4.34Å; F125-L152 HydrophobicContact CD2-CD1 3.74Å; F125-L152 HydrophobicContact CG-CD1 3.93Å; N128-L152 VanDerWaalsContact O-CD2 3.32Å; N128-L152 WeakPolarHBondContact O-CD2 3.5Å; L131-L152 HydrophobicContact CD2-CD1 4.15Å; F149-L152 HydrophobicContact CD1-CD1 4.08Å; F149-L152 PolarHBondContact O-N 3.08Å; L152-I154 HydrophobicContact CB-CD1 4.2Å; L152-I154 HydrophobicContact CB-CG1 3.9Å; L152-I154 HydrophobicContact CD1-CD1 4.09Å; L152-I154 HydrophobicContact CD1-CG1 4.32Å; L152-I154 PolarHBondContact O-N 3.05Å
153	N	85.3	Confident	89.7	Confident	130 Å²	130	43.7 Å²	43.7	70%	0.695	24%	0.239	S	C	*	.			trans	-93.4	69.1	169.8	-166.2	24.2	0	0	0	109.9	S155	N153-S155 PolarHBondContact O-N 3.04Å
154	I	88.1	Confident	89.8	Confident	14 Å²	14	41.6 Å²	41.6	7%	0.072	22%	0.224	C	C	.	.			trans	-67.6	116.1	178.8	-62.6	-67.7	0	0	0	109.2	L131 L134 F149 L152 Y156 L157 W176	L131-I154 HydrophobicContact CD2-CD1 4.07Å; L131-I154 HydrophobicContact CG-CD1 4.03Å; L134-I154 HydrophobicContact CB-CD1 4.31Å; F149-I154 HydrophobicContact CD1-CD1 4.49Å; F149-I154 HydrophobicContact CD1-CG1 3.89Å; L152-I154 HydrophobicContact CB-CD1 4.2Å; L152-I154 HydrophobicContact CB-CG1 3.9Å; L152-I154 HydrophobicContact CD1-CD1 4.09Å; L152-I154 HydrophobicContact CD1-CG1 4.32Å; L152-I154 PolarHBondContact O-N 3.05Å; I154-Y156 WeakPolarHBondContact CG2-O 3.48Å; I154-L157 HydrophobicContact CG2-CB 4.11Å; I154-W176 HydrophobicContact CB-CH2 4.5Å; I154-W176 HydrophobicContact CB-CZ2 4.3Å; I154-W176 HydrophobicContact CG2-CH2 4Å; I154-W176 HydrophobicContact CG2-CZ2 4.3Å; I154-W176 WeakPolarHBondContact O-CZ2 3.39Å
155	S	85.9	Confident	89.8	Confident	58 Å²	58	45.3 Å²	45.3	41%	0.406	24%	0.241	S	C	.	.	S	Bend	trans	-82.2	-29.6	175.2	-53.7	0	0	0	0	112.4	Q132 N153	Q132-S155 PolarHBondContact O-N 2.89Å; N153-S155 PolarHBondContact O-N 3.04Å
156	Y	86.7	Confident	89.9	Confident	126 Å²	126	44.8 Å²	44.8	49%	0.494	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	127.6	-179.4	-64.2	-78.4	0	0	0	111.7	Q132 Y133 L134 I154	Q132-Y156 PolarHBondContact O-N 2.97Å; Q132-Y156 VanDerWaalsContact O-N 3.13Å; Y133-Y156 HydrophobicContact CD2-CD2 4.24Å; Y133-Y156 HydrophobicContact CD2-CG 4.28Å; L134-Y156 PolarHBondContact N-O 2.92Å; I154-Y156 WeakPolarHBondContact CG2-O 3.48Å
157	L	92.4	Very high	89.9	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	110.6	175.6	-179.4	60.5	0	0	0	110.7	L134 F149 I154 L159 W172 W176 Q184	L134-L157 HydrophobicContact CB-CD1 4.08Å; L134-L157 HydrophobicContact CD2-CD1 3.83Å; L134-L157 HydrophobicContact CG-CD1 3.95Å; L134-L157 WeakPolarHBondContact O-CA 3.48Å; F149-L157 HydrophobicContact CZ-CD1 4.45Å; I154-L157 HydrophobicContact CG2-CB 4.11Å; L157-L159 HydrophobicContact CD1-CD2 4.07Å; L157-L159 HydrophobicContact CD1-CG 4.33Å; L157-L159 HydrophobicContact CD2-CD1 4.11Å; L157-L159 HydrophobicContact CD2-CG 4.45Å; L157-L159 HydrophobicContact CG-CD1 4.23Å; L157-L159 HydrophobicContact CG-CD2 4.32Å; L157-L159 HydrophobicContact CG-CG 4.03Å; L157-W172 HydrophobicContact CD2-CH2 3.75Å; L157-W172 HydrophobicContact CD2-CZ3 4.13Å; L157-W176 HydrophobicContact CB-CE3 4.49Å; L157-W176 HydrophobicContact CB-CH2 3.97Å; L157-W176 HydrophobicContact CB-CZ3 3.63Å; L157-W176 HydrophobicContact CD2-CE3 4.46Å; L157-W176 HydrophobicContact CD2-CZ3 4.35Å; L157-Q184 PolarHBondContact O-NE2 3.2Å
158	I	92.6	Very high	89.9	Confident	41 Å²	41	43.2 Å²	43.2	21%	0.21	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	120.6	-179.5	-46	-177.8	0	0	0	110.5	Y133 L134 N135 L136 K137	Y133-I158 HydrophobicContact CE2-CD1 4.22Å; Y133-I158 WeakPolarHBondContact OH-CD1 3.38Å; L134-I158 PolarHBondContact O-N 2.56Å; N135-I158 HydrophobicContact CB-CB 4.31Å; N135-I158 HydrophobicContact CB-CD1 4.37Å; N135-I158 HydrophobicContact CB-CG1 4.49Å; L136-I158 CarbonylContact C-O 3.56Å; L136-I158 PolarHBondContact N-O 2.88Å; K137-I158 HydrophobicContact CB-CG2 3.95Å; K137-I158 HydrophobicContact CD-CG2 4.39Å; K137-I158 PolarHBondContact N-O 3.36Å
159	L	94.6	Very high	89.8	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	26%	0.258	C	S	.	.			trans	-125.9	2.6	-175.4	-62.1	178.4	0	0	0	114.4	L136 L144 L157 N162 I173 L186	L136-L159 HydrophobicContact CB-CD2 4.1Å; L144-L159 HydrophobicContact CD2-CD1 4.17Å; L144-L159 HydrophobicContact CD2-CD2 3.9Å; L157-L159 HydrophobicContact CD1-CD2 4.07Å; L157-L159 HydrophobicContact CD1-CG 4.33Å; L157-L159 HydrophobicContact CD2-CD1 4.11Å; L157-L159 HydrophobicContact CD2-CG 4.45Å; L157-L159 HydrophobicContact CG-CD1 4.23Å; L157-L159 HydrophobicContact CG-CD2 4.32Å; L157-L159 HydrophobicContact CG-CG 4.03Å; L159-N162 WeakPolarHBondContact O-CB 3.5Å; L159-N162 PolarHBondContact O-N 2.85Å; L159-N162 PolarHBondContact O-ND2 3.02Å; L159-I173 HydrophobicContact CD1-CD1 4.04Å; L159-I173 HydrophobicContact CD1-CG1 4.34Å; L159-I173 HydrophobicContact CD1-CG2 3.75Å; L159-L186 HydrophobicContact CB-CD1 4.47Å; L159-L186 HydrophobicContact CB-CD2 4.1Å
160	S	91.9	Very high	90	Very high	32 Å²	32	46.2 Å²	46.2	22%	0.224	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	148.3	-178.9	56.1	0	0	0	0	113	K137 D138 N162 Q184	K137-S160 CarbonylContact C-O 3.59Å; K137-S160 WeakPolarHBondContact CA-O 3.45Å; K137-S160 WeakPolarHBondContact CB-O 3.39Å; D138-S160 PolarHBondContact N-O 3.38Å; S160-N162 VanDerWaalsContact C-N 3.29Å; S160-N162 PolarHBondContact O-N 2.65Å; S160-Q184 WeakPolarHBondContact CB-O 3.17Å
161	G	90.1	Very high	90.3	Very high	60 Å²	60	43.7 Å²	43.7	62%	0.619	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.7	-15.1	-178.9	0	0	0	0	0	116.5
162	N	94.5	Very high	90.6	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.064	22%	0.219	C	C	.	.			trans	-74.6	144.2	-179.9	-75.1	-83.6	0	0	0	113.9	L136 N139 L141 L159 S160 L164	L136-N162 PolarHBondContact O-ND2 3.07Å; N139-N162 WeakPolarHBondContact CA-OD1 3.38Å; N139-N162 VanDerWaalsContact CB-OD1 3.28Å; N139-N162 WeakPolarHBondContact CB-OD1 3.15Å; N139-N162 PolarHBondContact N-OD1 3.49Å; N139-N162 PolarHBondContact O-OD1 3.33Å; L141-N162 HydrophobicContact CB-CB 4.28Å; L141-N162 VanDerWaalsContact CB-OD1 3.31Å; L141-N162 WeakPolarHBondContact CB-OD1 3.2Å; L141-N162 PolarHBondContact N-OD1 3.02Å; L141-N162 VanDerWaalsContact N-OD1 3.11Å; L159-N162 WeakPolarHBondContact O-CB 3.5Å; L159-N162 PolarHBondContact O-N 2.85Å; L159-N162 PolarHBondContact O-ND2 3.02Å; S160-N162 VanDerWaalsContact C-N 3.29Å; S160-N162 PolarHBondContact O-N 2.65Å; N162-L164 HydrophobicContact CB-CD2 4.48Å; N162-L164 HydrophobicContact CB-CG 4.17Å; N162-L164 PolarHBondContact O-N 3.24Å
163	P	93.6	Very high	90.7	Very high	35 Å²	35	37.7 Å²	37.7	23%	0.227	21%	0.214	C	C	.	.			trans	-82.5	52.2	178.4	36.9	-38.4	0	0	0	112.9	N139 L141 H165 I189	N139-P163 VanDerWaalsContact O-CD 3.29Å; N139-P163 WeakPolarHBondContact O-CD 3.41Å; L141-P163 CarbonylContact O-C 3.57Å; L141-P163 WeakPolarHBondContact O-CD 3.16Å; P163-H165 PolarHBondContact O-N 2.86Å; P163-I189 HydrophobicContact CB-CD1 3.71Å
164	L	94.4	Very high	90.8	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.016	19%	0.191	C	C	.	.			trans	-57.2	134.3	-178.5	-64	172	0	0	0	111.5	L141 S142 N162 I173 C188 I189	L141-L164 PolarHBondContact O-N 3.38Å; S142-L164 CarbonylContact O-C 3.44Å; S142-L164 WeakPolarHBondContact O-CA 3.16Å; N162-L164 HydrophobicContact CB-CD2 4.48Å; N162-L164 HydrophobicContact CB-CG 4.17Å; N162-L164 PolarHBondContact O-N 3.24Å; L164-I173 HydrophobicContact CD1-CD1 4.11Å; L164-I173 HydrophobicContact CD2-CD1 4.32Å; L164-C188 CarbonylContact O-C 3.54Å; L164-C188 WeakPolarHBondContact O-CA 3.48Å; L164-C188 WeakPolarHBondContact O-CB 3.35Å; L164-I189 PolarHBondContact O-N 3.15Å
165	H	93.9	Very high	90.7	Very high	84 Å²	84	37.7 Å²	37.7	39%	0.389	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-73	149.3	171.7	-76.4	-64.9	0	0	0	112	S142 P163 S167 N170	S142-H165 PolarHBondContact O-N 2.99Å; P163-H165 PolarHBondContact O-N 2.86Å; H165-S167 PolarHBondContact O-N 3.18Å; H165-N170 PolarHBondContact N-ND2 3.46Å; H165-N170 PolarHBondContact O-ND2 2.94Å
166	C	91.2	Very high	90.8	Very high	18 Å²	18	40.7 Å²	40.7	12%	0.122	21%	0.213	C	C	.	.	S	Bend	trans	-75.8	52.6	169.6	-64.7	0	0	0	0	111.4	C188 I189 E190 L201 L203	C166-C188 WeakPolarHBondContact CA-SG 3.47Å; C166-C188 HydrophobicContact CB-CB 3.91Å; C166-C188 WeakPolarHBondContact CB-SG 3.49Å; C166-C188 WeakPolarHBondContact SG-CB 3.41Å; C166-C188 PolarHBondContact SG-O 3.42Å; C166-C188 CovalentContact SG-SG 2.04Å; C166-C188 PolarHBondContact SG-SG 2.98Å; C166-I189 PolarHBondContact N-O 3.29Å; C166-I189 VanDerWaalsContact SG-C 3.55Å; C166-I189 PolarHBondContact SG-N 3.11Å; C166-E190 HydrophobicContact CB-CG 3.91Å; C166-E190 VanDerWaalsContact SG-CG 3.5Å; C166-L201 HydrophobicContact CB-CD1 3.82Å; C166-L203 WeakPolarHBondContact O-CD1 3.44Å
167	S	90.7	Very high	90.6	Very high	33 Å²	33	35.1 Å²	35.1	23%	0.231	19%	0.192	C	C	.	.	S	Bend	trans	-103.3	168.1	-175.4	75.7	0	0	0	0	112.7	H165 E169 N170	H165-S167 PolarHBondContact O-N 3.18Å; S167-E169 PolarHBondContact O-N 2.87Å; S167-E169 PolarHBondContact OG-N 2.56Å; S167-N170 PolarHBondContact O-N 2.84Å
168	C	89.7	Confident	90.2	Very high	22 Å²	22	36.8 Å²	36.8	15%	0.149	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-60.9	-34.3	175.9	-140.9	0	0	0	0	112.4	N170 M171 C206 I282	C168-N170 VanDerWaalsContact C-N 3.26Å; C168-N170 PolarHBondContact O-N 3.43Å; C168-M171 WeakPolarHBondContact O-CB 3.17Å; C168-M171 PolarHBondContact O-N 2.96Å; C168-M171 VanDerWaalsContact O-N 3.12Å; C168-C206 WeakPolarHBondContact CA-SG 3.47Å; C168-C206 HydrophobicContact CB-CB 4.31Å; C168-C206 WeakPolarHBondContact CB-SG 3.45Å; C168-C206 VanDerWaalsContact SG-CA 3.55Å; C168-C206 WeakPolarHBondContact SG-CB 3.3Å; C168-C206 CovalentContact SG-SG 2.04Å; C168-C206 PolarHBondContact SG-SG 2.97Å; C168-I282 HydrophobicContact CB-CD1 3.72Å; C168-I282 HydrophobicContact CB-CG1 4.43Å
169	E	88.6	Confident	89.3	Confident	96 Å²	96	43.1 Å²	43.1	45%	0.449	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-68.2	-23.4	-177.8	-58.3	-178	132	0	0	113.2	S167 W172 I282	S167-E169 PolarHBondContact O-N 2.87Å; S167-E169 PolarHBondContact OG-N 2.56Å; E169-W172 PolarHBondContact O-NE1 3.01Å; E169-I282 HydrophobicContact CG-CD1 4.23Å
170	N	91.3	Very high	88.5	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-95.8	0.3	175.4	-69.5	-30.6	0	0	0	112.8	S142 S143 L144 H165 S167 C168 W172 I173	S142-N170 PolarHBondContact O-ND2 3.17Å; S143-N170 WeakPolarHBondContact CA-OD1 3.34Å; L144-N170 PolarHBondContact N-OD1 3.14Å; H165-N170 PolarHBondContact N-ND2 3.46Å; H165-N170 PolarHBondContact O-ND2 2.94Å; S167-N170 PolarHBondContact O-N 2.84Å; C168-N170 VanDerWaalsContact C-N 3.26Å; C168-N170 PolarHBondContact O-N 3.43Å; N170-W172 VanDerWaalsContact C-N 3.3Å; N170-W172 PolarHBondContact O-N 2.92Å; N170-I173 HydrophobicContact CB-CD1 4.02Å; N170-I173 WeakPolarHBondContact O-CB 3.24Å; N170-I173 PolarHBondContact O-N 2.77Å
171	M	89.3	Confident	87.7	Confident	12 Å²	12	45.8 Å²	45.8	6%	0.059	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-31.9	-178.2	-173.5	63.8	68.8	0	0	112.4	C168 I173 K174 L175 L201 L203 C206 V283	C168-M171 WeakPolarHBondContact O-CB 3.17Å; C168-M171 PolarHBondContact O-N 2.96Å; C168-M171 VanDerWaalsContact O-N 3.12Å; M171-I173 VanDerWaalsContact C-N 3.28Å; M171-I173 PolarHBondContact O-N 2.65Å; M171-K174 WeakPolarHBondContact O-CB 3.49Å; M171-K174 PolarHBondContact O-N 3.34Å; M171-K174 HydrophobicContact SD-CD 4.07Å; M171-L175 HydrophobicContact CG-CD1 4.22Å; M171-L175 WeakPolarHBondContact O-CG 3.24Å; M171-L175 PolarHBondContact O-N 2.89Å; M171-L201 HydrophobicContact CE-CD2 3.98Å; M171-L201 HydrophobicContact CE-CG 3.95Å; M171-L203 HydrophobicContact CE-CB 3.81Å; M171-L203 HydrophobicContact CE-CD1 3.85Å; M171-L203 HydrophobicContact CE-CG 3.78Å; M171-C206 HydrophobicContact CE-CB 4.22Å; M171-V283 HydrophobicContact CB-CG1 4.08Å; M171-V283 HydrophobicContact CG-CG1 3.79Å
172	W	90.1	Very high	87	Confident	12 Å²	12	47 Å²	47	5%	0.045	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-33.1	176.6	74.4	-94.7	0	0	0	112.4	L144 W146 F149 L157 E169 N170 K174 L175 W176 V283	L144-W172 HydrophobicContact CB-CZ2 4.32Å; L144-W172 HydrophobicContact CD2-CH2 4.32Å; L144-W172 HydrophobicContact CD2-CZ2 4.01Å; L144-W172 HydrophobicContact CG-CZ2 4.05Å; L144-W172 PolarHBondContact O-NE1 3.08Å; W146-W172 HydrophobicContact CB-CB 4.04Å; W146-W172 HydrophobicContact CB-CD2 3.48Å; W146-W172 VanDerWaalsContact CB-CD2 3.48Å; W146-W172 HydrophobicContact CB-CE3 3.89Å; W146-W172 HydrophobicContact CB-CG 3.53Å; W146-W172 HydrophobicContact CG-CB 4.43Å; W146-W172 HydrophobicContact CG-CG 4.26Å; F149-W172 AromaticContact CD2-CH2 3.59Å; F149-W172 HydrophobicContact CD2-CH2 3.59Å; F149-W172 HydrophobicContact CD2-CZ2 4.16Å; F149-W172 HydrophobicContact CD2-CZ3 4.15Å; F149-W172 AromaticContact CE2-CH2 3.41Å; F149-W172 HydrophobicContact CE2-CH2 3.41Å; F149-W172 VanDerWaalsContact CE2-CH2 3.41Å; F149-W172 AromaticContact CE2-CZ2 3.79Å; F149-W172 HydrophobicContact CE2-CZ2 3.79Å; F149-W172 HydrophobicContact CE2-CZ3 4.37Å; L157-W172 HydrophobicContact CD2-CH2 3.75Å; L157-W172 HydrophobicContact CD2-CZ3 4.13Å; E169-W172 PolarHBondContact O-NE1 3.01Å; N170-W172 VanDerWaalsContact C-N 3.3Å; N170-W172 PolarHBondContact O-N 2.92Å; W172-K174 VanDerWaalsContact C-N 3.25Å; W172-K174 PolarHBondContact O-N 2.84Å; W172-L175 CarbonylContact O-C 3.57Å; W172-L175 PolarHBondContact O-N 2.82Å; W172-W176 HydrophobicContact CE3-CB 4.01Å; W172-W176 HydrophobicContact CE3-CG 4.46Å; W172-W176 HydrophobicContact CZ3-CB 4.27Å; W172-W176 HydrophobicContact CZ3-CG 4.36Å; W172-W176 WeakPolarHBondContact O-CB 3.41Å; W172-W176 PolarHBondContact O-N 3.39Å; W172-V283 VanDerWaalsContact CB-O 3.29Å; W172-V283 WeakPolarHBondContact CB-O 3.4Å
173	I	90.3	Very high	86.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.1	-44	-179	-58.6	171.3	0	0	0	109.2	L144 L159 L164 N170 M171 W176 L177 L186 L198	L144-I173 HydrophobicContact CB-CD1 4.46Å; L159-I173 HydrophobicContact CD1-CD1 4.04Å; L159-I173 HydrophobicContact CD1-CG1 4.34Å; L159-I173 HydrophobicContact CD1-CG2 3.75Å; L164-I173 HydrophobicContact CD1-CD1 4.11Å; L164-I173 HydrophobicContact CD2-CD1 4.32Å; N170-I173 HydrophobicContact CB-CD1 4.02Å; N170-I173 WeakPolarHBondContact O-CB 3.24Å; N170-I173 PolarHBondContact O-N 2.77Å; M171-I173 VanDerWaalsContact C-N 3.28Å; M171-I173 PolarHBondContact O-N 2.65Å; I173-W176 PolarHBondContact O-N 2.88Å; I173-L177 HydrophobicContact CG2-CD1 3.86Å; I173-L177 WeakPolarHBondContact O-CB 3.28Å; I173-L177 PolarHBondContact O-N 2.82Å; I173-L186 HydrophobicContact CG2-CD1 4.05Å; I173-L198 HydrophobicContact CB-CD2 4.04Å; I173-L198 HydrophobicContact CG2-CD2 3.69Å
174	K	87.3	Confident	85.9	Confident	49 Å²	49	51.7 Å²	51.7	21%	0.213	27%	0.267	C	S	.	.	H	α-helix	trans	-60.8	-44.9	173.3	-174.7	-160.5	169.4	173.8	0	112.2	M171 W172 W176 G178 L198 S199 L201	M171-K174 WeakPolarHBondContact O-CB 3.49Å; M171-K174 PolarHBondContact O-N 3.34Å; M171-K174 HydrophobicContact SD-CD 4.07Å; W172-K174 VanDerWaalsContact C-N 3.25Å; W172-K174 PolarHBondContact O-N 2.84Å; K174-W176 VanDerWaalsContact C-N 3.32Å; K174-G178 PolarHBondContact O-N 3.47Å; K174-G178 VanDerWaalsContact O-N 3.1Å; K174-L198 HydrophobicContact CB-CG 4.15Å; K174-L198 WeakPolarHBondContact CD-O 3.47Å; K174-L198 WeakPolarHBondContact CG-O 3.46Å; K174-S199 WeakPolarHBondContact CE-O 3.26Å; K174-S199 PolarHBondContact NZ-O 2.8Å; K174-S199 VanDerWaalsContact NZ-O 3.09Å; K174-L201 PolarHBondContact NZ-O 3.29Å
175	L	86.1	Confident	85.5	Confident	95 Å²	95	57.9 Å²	57.9	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-72.8	-24.9	-176.4	-66.1	169.1	0	0	0	113.2	M171 W172 V208 V283	M171-L175 HydrophobicContact CG-CD1 4.22Å; M171-L175 WeakPolarHBondContact O-CG 3.24Å; M171-L175 PolarHBondContact O-N 2.89Å; W172-L175 CarbonylContact O-C 3.57Å; W172-L175 PolarHBondContact O-N 2.82Å; L175-V208 HydrophobicContact CD1-CG2 3.48Å; L175-V208 VanDerWaalsContact CD1-CG2 3.48Å; L175-V283 HydrophobicContact CD1-CG1 3.69Å
176	W	86.7	Confident	85.4	Confident	120 Å²	120	54.1 Å²	54.1	46%	0.455	28%	0.278	S	S	.	.	H	α-helix	trans	-89.3	-48.4	-179.5	-171.2	88.6	0	0	0	111.9	I154 L157 W172 I173 K174	I154-W176 HydrophobicContact CB-CH2 4.5Å; I154-W176 HydrophobicContact CB-CZ2 4.3Å; I154-W176 HydrophobicContact CG2-CH2 4Å; I154-W176 HydrophobicContact CG2-CZ2 4.3Å; I154-W176 WeakPolarHBondContact O-CZ2 3.39Å; L157-W176 HydrophobicContact CB-CE3 4.49Å; L157-W176 HydrophobicContact CB-CH2 3.97Å; L157-W176 HydrophobicContact CB-CZ3 3.63Å; L157-W176 HydrophobicContact CD2-CE3 4.46Å; L157-W176 HydrophobicContact CD2-CZ3 4.35Å; W172-W176 HydrophobicContact CE3-CB 4.01Å; W172-W176 HydrophobicContact CE3-CG 4.46Å; W172-W176 HydrophobicContact CZ3-CB 4.27Å; W172-W176 HydrophobicContact CZ3-CG 4.36Å; W172-W176 WeakPolarHBondContact O-CB 3.41Å; W172-W176 PolarHBondContact O-N 3.39Å; I173-W176 PolarHBondContact O-N 2.88Å; K174-W176 VanDerWaalsContact C-N 3.32Å
177	L	84.4	Confident	85.3	Confident	9 Å²	9	59.3 Å²	59.3	5%	0.047	30%	0.295	C	S	.	.	H	α-helix	trans	-72.6	-27.9	177.6	-73.3	174.1	0	0	0	113.4	I173 E179 E180 A181 L186	I173-L177 HydrophobicContact CG2-CD1 3.86Å; I173-L177 WeakPolarHBondContact O-CB 3.28Å; I173-L177 PolarHBondContact O-N 2.82Å; L177-E179 PolarHBondContact O-N 3.04Å; L177-E179 VanDerWaalsContact O-N 3.08Å; L177-E180 HydrophobicContact CB-CB 4.16Å; L177-E180 HydrophobicContact CD2-CB 4.03Å; L177-E180 WeakPolarHBondContact O-CB 3.44Å; L177-E180 PolarHBondContact O-N 3.29Å; L177-A181 HydrophobicContact CB-CB 3.99Å; L177-A181 HydrophobicContact CD1-CB 4.38Å; L177-L186 HydrophobicContact CD1-CD1 3.36Å
178	G	82.7	Confident	85.4	Confident	39 Å²	39	57.7 Å²	57.7	40%	0.402	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-115.9	-177.5	0	0	0	0	0	112.1	K174 A181	K174-G178 PolarHBondContact O-N 3.47Å; K174-G178 VanDerWaalsContact O-N 3.1Å; G178-A181 WeakPolarHBondContact O-CB 3.3Å; G178-A181 PolarHBondContact O-N 3.11Å
179	E	74.4	Confident	85.5	Confident	173 Å²	173	58.3 Å²	58.3	81%	0.808	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-23.5	177.8	-59.1	-170.5	164.4	0	0	112.9	L177 A181 D182 T183	L177-E179 PolarHBondContact O-N 3.04Å; L177-E179 VanDerWaalsContact O-N 3.08Å; E179-A181 PolarHBondContact O-N 3.33Å; E179-D182 PolarHBondContact O-N 2.89Å; E179-T183 PolarHBondContact O-N 3Å
180	E	76.9	Confident	85.6	Confident	90 Å²	90	57 Å²	57	42%	0.421	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-18.6	175.1	-61.2	-169.6	-177.9	0	0	113	L177 D182 T183 Q184	L177-E180 HydrophobicContact CB-CB 4.16Å; L177-E180 HydrophobicContact CD2-CB 4.03Å; L177-E180 WeakPolarHBondContact O-CB 3.44Å; L177-E180 PolarHBondContact O-N 3.29Å; E180-D182 PolarHBondContact O-N 2.87Å; E180-T183 WeakPolarHBondContact CA-OG1 3.27Å; E180-T183 PolarHBondContact O-N 3.46Å; E180-T183 PolarHBondContact O-OG1 3.41Å; E180-T183 VanDerWaalsContact O-OG1 3.08Å; E180-Q184 WeakPolarHBondContact O-CB 3.17Å; E180-Q184 WeakPolarHBondContact O-CG 3.48Å; E180-Q184 PolarHBondContact O-N 2.89Å
181	A	74.9	Confident	85.1	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-29.5	172.9	0	0	0	0	0	112	L177 G178 E179 L186	L177-A181 HydrophobicContact CB-CB 3.99Å; L177-A181 HydrophobicContact CD1-CB 4.38Å; G178-A181 WeakPolarHBondContact O-CB 3.3Å; G178-A181 PolarHBondContact O-N 3.11Å; E179-A181 PolarHBondContact O-N 3.33Å; A181-L186 HydrophobicContact CB-CD1 4.45Å; A181-L186 PolarHBondContact O-N 2.91Å
182	D	75.5	Confident	84.6	Confident	84 Å²	84	68.3 Å²	68.3	45%	0.449	36%	0.359	S	S	.	.	H	α-helix	trans	-83.5	-34.3	173.7	-77.8	-47.6	0	0	0	111.7	E179 E180 Q184 E185 S199	E179-D182 PolarHBondContact O-N 2.89Å; E180-D182 PolarHBondContact O-N 2.87Å; D182-Q184 VanDerWaalsContact C-N 3.32Å; D182-Q184 PolarHBondContact O-N 2.8Å; D182-E185 PolarHBondContact O-N 3.28Å; D182-S199 VanDerWaalsContact CG-CB 3.43Å; D182-S199 VanDerWaalsContact CG-OG 3.23Å; D182-S199 VanDerWaalsContact OD1-CB 3.25Å; D182-S199 WeakPolarHBondContact OD1-CB 3.16Å; D182-S199 PolarHBondContact OD1-OG 3.24Å; D182-S199 WeakPolarHBondContact OD2-CB 3.37Å; D182-S199 PolarHBondContact OD2-OG 2.8Å
183	T	81.3	Confident	84.2	Confident	115 Å²	115	70.1 Å²	70.1	71%	0.706	38%	0.382	S	S	*	.	H	α-helix	trans	-68.5	-29.2	175.8	68.5	0	0	0	0	113.1	E179 E180 E185	E179-T183 PolarHBondContact O-N 3Å; E180-T183 WeakPolarHBondContact CA-OG1 3.27Å; E180-T183 PolarHBondContact O-N 3.46Å; E180-T183 PolarHBondContact O-OG1 3.41Å; E180-T183 VanDerWaalsContact O-OG1 3.08Å; T183-E185 VanDerWaalsContact C-N 3.29Å
184	Q	85.1	Confident	84.1	Confident	32 Å²	32	72.5 Å²	72.5	15%	0.15	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	2.3	170.2	-69.1	-170.5	45.3	0	0	114	L157 S160 E180 D182 L186	L157-Q184 PolarHBondContact O-NE2 3.2Å; S160-Q184 WeakPolarHBondContact CB-O 3.17Å; E180-Q184 WeakPolarHBondContact O-CB 3.17Å; E180-Q184 WeakPolarHBondContact O-CG 3.48Å; E180-Q184 PolarHBondContact O-N 2.89Å; D182-Q184 VanDerWaalsContact C-N 3.32Å; D182-Q184 PolarHBondContact O-N 2.8Å; Q184-L186 HydrophobicContact CB-CD2 3.94Å; Q184-L186 HydrophobicContact CB-CG 3.83Å; Q184-L186 PolarHBondContact O-N 2.95Å
185	E	85.9	Confident	84.2	Confident	132 Å²	132	79.3 Å²	79.3	62%	0.617	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	38.1	-172.2	-74.1	-155.5	-145.6	0	0	114.1	D182 T183 R187	D182-E185 PolarHBondContact O-N 3.28Å; T183-E185 VanDerWaalsContact C-N 3.29Å; E185-R187 WeakPolarHBondContact O-CG 3.36Å; E185-R187 PolarHBondContact O-N 3.11Å; E185-R187 IonicContact OE2-CZ 2.95Å; E185-R187 IonicContact OE2-NE 2.68Å; E185-R187 IonicContact OE2-NH2 3.98Å; E185-R187 PolarHBondContact OE2-NH2 3.23Å
186	L	90.3	Very high	84.3	Confident	5 Å²	5	77.9 Å²	77.9	3%	0.026	42%	0.415	C	S	.	.			trans	-64.8	127.2	-174.8	-63.6	-174.3	0	0	0	111.4	L159 I173 L177 A181 Q184 P197 L198	L159-L186 HydrophobicContact CB-CD1 4.47Å; L159-L186 HydrophobicContact CB-CD2 4.1Å; I173-L186 HydrophobicContact CG2-CD1 4.05Å; L177-L186 HydrophobicContact CD1-CD1 3.36Å; A181-L186 HydrophobicContact CB-CD1 4.45Å; A181-L186 PolarHBondContact O-N 2.91Å; Q184-L186 HydrophobicContact CB-CD2 3.94Å; Q184-L186 HydrophobicContact CB-CG 3.83Å; Q184-L186 PolarHBondContact O-N 2.95Å; L186-P197 WeakPolarHBondContact O-CA 3.1Å; L186-L198 HydrophobicContact CB-CB 3.96Å; L186-L198 HydrophobicContact CB-CD2 4.03Å; L186-L198 HydrophobicContact CD1-CD2 3.96Å; L186-L198 WeakPolarHBondContact O-CB 3.46Å; L186-L198 PolarHBondContact O-N 3.09Å
187	R	90.3	Very high	84.4	Confident	127 Å²	127	74.1 Å²	74.1	48%	0.479	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137	177.4	-59.5	176.9	-160.5	-145.9	5.2	109.7	E185 K196	E185-R187 WeakPolarHBondContact O-CG 3.36Å; E185-R187 PolarHBondContact O-N 3.11Å; E185-R187 IonicContact OE2-CZ 2.95Å; E185-R187 IonicContact OE2-NE 2.68Å; E185-R187 IonicContact OE2-NH2 3.98Å; E185-R187 PolarHBondContact OE2-NH2 3.23Å; R187-K196 CarbonylContact C-O 3.58Å; R187-K196 WeakPolarHBondContact CA-O 3.28Å
188	C	92	Very high	84.5	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	159.8	170.6	69.3	0	0	0	0	111.3	L164 C166 R195 K196 L198	L164-C188 CarbonylContact O-C 3.54Å; L164-C188 WeakPolarHBondContact O-CA 3.48Å; L164-C188 WeakPolarHBondContact O-CB 3.35Å; C166-C188 WeakPolarHBondContact CA-SG 3.47Å; C166-C188 HydrophobicContact CB-CB 3.91Å; C166-C188 WeakPolarHBondContact CB-SG 3.49Å; C166-C188 WeakPolarHBondContact SG-CB 3.41Å; C166-C188 PolarHBondContact SG-O 3.42Å; C166-C188 CovalentContact SG-SG 2.04Å; C166-C188 PolarHBondContact SG-SG 2.98Å; C188-R195 WeakPolarHBondContact O-CA 3.35Å; C188-K196 PolarHBondContact N-O 3.03Å; C188-K196 PolarHBondContact O-N 3.33Å; C188-L198 HydrophobicContact CB-CD1 4.16Å
189	I	92.9	Very high	84.6	Confident	35 Å²	35	73 Å²	73	18%	0.179	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.2	179.5	-54.5	178.7	0	0	0	109.1	P163 L164 C166 A194 R195	P163-I189 HydrophobicContact CB-CD1 3.71Å; L164-I189 PolarHBondContact O-N 3.15Å; C166-I189 PolarHBondContact N-O 3.29Å; C166-I189 VanDerWaalsContact SG-C 3.55Å; C166-I189 PolarHBondContact SG-N 3.11Å; I189-A194 WeakPolarHBondContact CA-O 3.21Å; I189-R195 HydrophobicContact CG1-CG 4.4Å
190	E	89.4	Confident	85	Confident	69 Å²	69	73.6 Å²	73.6	32%	0.322	39%	0.388	S	S	.	.			trans	-80.3	159	170.6	-60.4	-177.3	147.4	0	0	110.3	C166 G192 G193 A194 K196	C166-E190 HydrophobicContact CB-CG 3.91Å; C166-E190 VanDerWaalsContact SG-CG 3.5Å; E190-G192 PolarHBondContact O-N 3.14Å; E190-G193 WeakPolarHBondContact O-CA 3.43Å; E190-G193 PolarHBondContact O-N 3.2Å; E190-A194 HydrophobicContact CB-CB 4.48Å; E190-A194 PolarHBondContact N-O 3.28Å; E190-K196 WeakPolarHBondContact OE1-CD 3.4Å; E190-K196 WeakPolarHBondContact OE1-CE 3.31Å; E190-K196 IonicContact OE1-NZ 2.65Å; E190-K196 PolarHBondContact OE1-NZ 3.14Å
191	D	81.8	Confident	85.4	Confident	169 Å²	169	69.3 Å²	69.3	90%	0.904	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.1	-172.4	-55.8	-46.7	0	0	0	114.5	G193	D191-G193 VanDerWaalsContact C-N 3.28Å; D191-G193 PolarHBondContact O-N 3.4Å
192	G	77.4	Confident	85.8	Confident	79 Å²	79	79.7 Å²	79.7	81%	0.814	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	10.4	171.3	0	0	0	0	0	115.1	E190 A194	E190-G192 PolarHBondContact O-N 3.14Å; G192-A194 PolarHBondContact O-N 2.78Å
193	G	82.6	Confident	86.3	Confident	51 Å²	51	78.1 Å²	78.1	53%	0.526	40%	0.398	S	S	.	.	S	Bend	trans	76.9	-1	-177.1	0	0	0	0	0	115.3	E190 D191	E190-G193 WeakPolarHBondContact O-CA 3.43Å; E190-G193 PolarHBondContact O-N 3.2Å; D191-G193 VanDerWaalsContact C-N 3.28Å; D191-G193 PolarHBondContact O-N 3.4Å
194	A	87.3	Confident	86	Confident	49 Å²	49	78.3 Å²	78.3	41%	0.405	40%	0.401	S	S	.	.			trans	-67.9	137.1	178.9	0	0	0	0	0	111.4	I189 E190 G192	I189-A194 WeakPolarHBondContact CA-O 3.21Å; E190-A194 HydrophobicContact CB-CB 4.48Å; E190-A194 PolarHBondContact N-O 3.28Å; G192-A194 PolarHBondContact O-N 2.78Å
195	R	89.7	Confident	85.9	Confident	192 Å²	192	83.9 Å²	83.9	73%	0.725	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.1	179.3	-67	-174.9	178.2	-166.8	-2.5	111.3	C188 I189	C188-R195 WeakPolarHBondContact O-CA 3.35Å; I189-R195 HydrophobicContact CG1-CG 4.4Å
196	K	88.1	Confident	86	Confident	65 Å²	65	78.8 Å²	78.8	28%	0.283	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.6	-172.1	-170.5	176.8	-165.4	168.9	0	111.3	R187 C188 E190 L198	R187-K196 CarbonylContact C-O 3.58Å; R187-K196 WeakPolarHBondContact CA-O 3.28Å; C188-K196 PolarHBondContact N-O 3.03Å; C188-K196 PolarHBondContact O-N 3.33Å; E190-K196 WeakPolarHBondContact OE1-CD 3.4Å; E190-K196 WeakPolarHBondContact OE1-CE 3.31Å; E190-K196 IonicContact OE1-NZ 2.65Å; E190-K196 PolarHBondContact OE1-NZ 3.14Å; K196-L198 PolarHBondContact O-N 3.19Å
197	P	88.9	Confident	85.9	Confident	41 Å²	41	83.6 Å²	83.6	27%	0.266	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	132.1	174.9	-24.3	34.5	0	0	0	111.5	L186 S199 R200 L201	L186-P197 WeakPolarHBondContact O-CA 3.1Å; P197-S199 VanDerWaalsContact C-N 3.33Å; P197-S199 PolarHBondContact O-N 2.87Å; P197-R200 HydrophobicContact CB-CB 4.37Å; P197-R200 HydrophobicContact CB-CG 4.21Å; P197-R200 CarbonylContact O-C 3.56Å; P197-R200 WeakPolarHBondContact O-CA 3.29Å; P197-R200 PolarHBondContact O-N 2.96Å; P197-L201 PolarHBondContact O-N 2.61Å
198	L	87.7	Confident	85.9	Confident	1 Å²	1	79.7 Å²	79.7	1%	0.005	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-66.2	-35.8	-174.2	-174.5	65.2	0	0	0	111.7	I173 K174 L186 C188 K196 R200 L201	I173-L198 HydrophobicContact CB-CD2 4.04Å; I173-L198 HydrophobicContact CG2-CD2 3.69Å; K174-L198 HydrophobicContact CB-CG 4.15Å; K174-L198 WeakPolarHBondContact CD-O 3.47Å; K174-L198 WeakPolarHBondContact CG-O 3.46Å; L186-L198 HydrophobicContact CB-CB 3.96Å; L186-L198 HydrophobicContact CB-CD2 4.03Å; L186-L198 HydrophobicContact CD1-CD2 3.96Å; L186-L198 WeakPolarHBondContact O-CB 3.46Å; L186-L198 PolarHBondContact O-N 3.09Å; C188-L198 HydrophobicContact CB-CD1 4.16Å; K196-L198 PolarHBondContact O-N 3.19Å; L198-R200 PolarHBondContact O-N 3.21Å; L198-L201 HydrophobicContact CD1-CB 4.45Å; L198-L201 HydrophobicContact CD1-CD2 3.88Å; L198-L201 WeakPolarHBondContact O-CB 3.47Å; L198-L201 PolarHBondContact O-N 3.37Å
199	S	83.9	Confident	85.9	Confident	24 Å²	24	79.7 Å²	79.7	17%	0.168	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-50.8	-36.2	167.9	55.4	0	0	0	0	113.3	K174 D182 P197	K174-S199 WeakPolarHBondContact CE-O 3.26Å; K174-S199 PolarHBondContact NZ-O 2.8Å; K174-S199 VanDerWaalsContact NZ-O 3.09Å; D182-S199 VanDerWaalsContact CG-CB 3.43Å; D182-S199 VanDerWaalsContact CG-OG 3.23Å; D182-S199 VanDerWaalsContact OD1-CB 3.25Å; D182-S199 WeakPolarHBondContact OD1-CB 3.16Å; D182-S199 PolarHBondContact OD1-OG 3.24Å; D182-S199 WeakPolarHBondContact OD2-CB 3.37Å; D182-S199 PolarHBondContact OD2-OG 2.8Å; P197-S199 VanDerWaalsContact C-N 3.33Å; P197-S199 PolarHBondContact O-N 2.87Å
200	R	83.9	Confident	85.9	Confident	185 Å²	185	83.4 Å²	83.4	70%	0.698	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-92.5	2.9	-179.5	-57.6	-175.8	-171.7	-169.6	1	113.4	P197 L198 R202	P197-R200 HydrophobicContact CB-CB 4.37Å; P197-R200 HydrophobicContact CB-CG 4.21Å; P197-R200 CarbonylContact O-C 3.56Å; P197-R200 WeakPolarHBondContact O-CA 3.29Å; P197-R200 PolarHBondContact O-N 2.96Å; L198-R200 PolarHBondContact O-N 3.21Å; R200-R202 PolarHBondContact O-N 3.32Å
201	L	84.4	Confident	86.2	Confident	1 Å²	1	80.8 Å²	80.8	1%	0.005	43%	0.425	C	S	.	.			trans	-65.3	131.3	173.1	-173.8	59.9	0	0	0	110.3	C166 M171 K174 P197 L198 L203	C166-L201 HydrophobicContact CB-CD1 3.82Å; M171-L201 HydrophobicContact CE-CD2 3.98Å; M171-L201 HydrophobicContact CE-CG 3.95Å; K174-L201 PolarHBondContact NZ-O 3.29Å; P197-L201 PolarHBondContact O-N 2.61Å; L198-L201 HydrophobicContact CD1-CB 4.45Å; L198-L201 HydrophobicContact CD1-CD2 3.88Å; L198-L201 WeakPolarHBondContact O-CB 3.47Å; L198-L201 PolarHBondContact O-N 3.37Å; L201-L203 HydrophobicContact CD1-CD1 4.39Å; L201-L203 HydrophobicContact CD1-CD2 3.9Å; L201-L203 HydrophobicContact CD1-CG 3.89Å; L201-L203 HydrophobicContact CD2-CD1 4.26Å; L201-L203 HydrophobicContact CD2-CG 4.46Å; L201-L203 HydrophobicContact CG-CD1 4.47Å; L201-L203 HydrophobicContact CG-CG 4.13Å
202	R	84.2	Confident	86.7	Confident	218 Å²	218	76 Å²	76	82%	0.823	40%	0.402	S	S	*	.			trans	-138.7	120.8	168.2	-66.9	-174	179.3	-167	-1.2	106.8	R200	R200-R202 PolarHBondContact O-N 3.32Å
203	L	85.1	Confident	87.6	Confident	51 Å²	51	72.7 Å²	72.7	27%	0.267	37%	0.365	S	S	.	.			trans	-120.5	118.3	177.2	-64.2	176.5	0	0	0	108.1	C166 M171 L201 C206	C166-L203 WeakPolarHBondContact O-CD1 3.44Å; M171-L203 HydrophobicContact CE-CB 3.81Å; M171-L203 HydrophobicContact CE-CD1 3.85Å; M171-L203 HydrophobicContact CE-CG 3.78Å; L201-L203 HydrophobicContact CD1-CD1 4.39Å; L201-L203 HydrophobicContact CD1-CD2 3.9Å; L201-L203 HydrophobicContact CD1-CG 3.89Å; L201-L203 HydrophobicContact CD2-CD1 4.26Å; L201-L203 HydrophobicContact CD2-CG 4.46Å; L201-L203 HydrophobicContact CG-CD1 4.47Å; L201-L203 HydrophobicContact CG-CG 4.13Å; L203-C206 HydrophobicContact CB-CB 3.9Å; L203-C206 PolarHBondContact O-N 2.81Å
204	P	75.9	Confident	88.1	Confident	118 Å²	118	73.8 Å²	73.8	77%	0.766	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	144.2	169.5	29.1	-33.1	0	0	0	109
205	K	82.9	Confident	88.3	Confident	150 Å²	150	74.1 Å²	74.1	65%	0.652	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	19.7	-172.1	-46.2	178.3	-176	178.8	0	115.4	M235	K205-M235 HydrophobicContact CB-CE 3.88Å; K205-M235 HydrophobicContact CD-CE 4.21Å; K205-M235 HydrophobicContact CG-CE 3.81Å; K205-M235 CarbonylContact O-C 3.55Å
206	C	88.1	Confident	88.1	Confident	24 Å²	24	69.8 Å²	69.8	16%	0.162	36%	0.359	C	S	.	.			trans	-125.8	89	171.6	-67.2	0	0	0	0	109.9	C168 M171 L203 M235 V283	C168-C206 WeakPolarHBondContact CA-SG 3.47Å; C168-C206 HydrophobicContact CB-CB 4.31Å; C168-C206 WeakPolarHBondContact CB-SG 3.45Å; C168-C206 VanDerWaalsContact SG-CA 3.55Å; C168-C206 WeakPolarHBondContact SG-CB 3.3Å; C168-C206 CovalentContact SG-SG 2.04Å; C168-C206 PolarHBondContact SG-SG 2.97Å; M171-C206 HydrophobicContact CE-CB 4.22Å; L203-C206 HydrophobicContact CB-CB 3.9Å; L203-C206 PolarHBondContact O-N 2.81Å; C206-M235 CarbonylContact C-O 3.49Å; C206-M235 WeakPolarHBondContact CA-O 3.45Å; C206-V283 HydrophobicContact CB-CG2 4.28Å
207	E	88.4	Confident	88.1	Confident	106 Å²	106	72.6 Å²	72.6	50%	0.495	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.7	-171.8	-70.7	156.6	-145	0	0	109.7	M235 N281	E207-M235 HydrophobicContact CB-CB 4.23Å; E207-M235 PolarHBondContact N-O 2.62Å; E207-N281 PolarHBondContact O-ND2 3.07Å
208	V	88.8	Confident	88.3	Confident	46 Å²	46	71 Å²	71	28%	0.279	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	134.3	172.2	-178	0	0	0	0	108.2	L175 V283 R286	L175-V208 HydrophobicContact CD1-CG2 3.48Å; L175-V208 VanDerWaalsContact CD1-CG2 3.48Å; V208-V283 HydrophobicContact CG2-CG1 4.03Å; V208-R286 HydrophobicContact CG1-CG 4.08Å
209	P	93.5	Very high	88.6	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	156.2	-178.4	32.3	-36.2	0	0	0	111.3	S233 P238 A279 N281 G284 R286	P209-S233 CarbonylContact C-O 3.41Å; P209-S233 VanDerWaalsContact CA-O 3.24Å; P209-S233 WeakPolarHBondContact CA-O 3.33Å; P209-P238 HydrophobicContact CB-CB 3.65Å; P209-P238 HydrophobicContact CB-CG 3.87Å; P209-A279 HydrophobicContact CB-CB 3.99Å; P209-A279 VanDerWaalsContact CG-O 3.3Å; P209-A279 WeakPolarHBondContact CG-O 3.42Å; P209-N281 WeakPolarHBondContact CD-OD1 3.16Å; P209-G284 WeakPolarHBondContact CD-O 3.32Å; P209-G284 VanDerWaalsContact CG-O 3.29Å; P209-G284 WeakPolarHBondContact CG-O 3.48Å; P209-R286 WeakPolarHBondContact O-CB 3.2Å; P209-R286 WeakPolarHBondContact O-CG 3.43Å
210	M	92.8	Very high	89.1	Confident	113 Å²	113	77 Å²	77	56%	0.557	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	142.3	172.6	-60.8	-179.7	66.1	0	0	109.1	T232 S233	M210-T232 VanDerWaalsContact O-CA 3.23Å; M210-T232 WeakPolarHBondContact O-CA 3.29Å; M210-S233 PolarHBondContact N-O 2.85Å; M210-S233 PolarHBondContact O-N 3.23Å
211	A	94.5	Very high	89.6	Confident	14 Å²	14	71.1 Å²	71.1	12%	0.116	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	140.4	164.6	0	0	0	0	0	108.1	T232 A279 S288	A211-T232 HydrophobicContact CB-CG2 4.45Å; A211-A279 HydrophobicContact CB-CB 4.01Å; A211-S288 WeakPolarHBondContact O-CB 3.47Å
212	T	93.6	Very high	90	Very high	69 Å²	69	73.8 Å²	73.8	42%	0.423	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	111.1	175.6	-56.7	0	0	0	0	109.1	C230 T231	T212-C230 WeakPolarHBondContact O-CA 3.37Å; T212-T231 PolarHBondContact N-O 2.81Å; T212-T231 PolarHBondContact O-N 3.07Å
213	L	94.7	Very high	90.4	Very high	9 Å²	9	69.9 Å²	69.9	5%	0.047	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.8	178.5	-172	60.1	0	0	0	110.9	L228 C230 W242 S288 L290	L213-L228 HydrophobicContact CD1-CB 4.18Å; L213-C230 HydrophobicContact CD1-CB 4.3Å; L213-W242 HydrophobicContact CD1-CH2 3.47Å; L213-W242 VanDerWaalsContact CD1-CH2 3.47Å; L213-W242 HydrophobicContact CD1-CZ3 3.6Å; L213-S288 PolarHBondContact N-OG 2.8Å; L213-S288 VanDerWaalsContact N-OG 3.14Å; L213-L290 HydrophobicContact CD2-CB 4.21Å; L213-L290 HydrophobicContact CD2-CD2 3.66Å; L213-L290 HydrophobicContact CD2-CG 3.73Å; L213-L290 HydrophobicContact CG-CD2 3.99Å
214	T	93.4	Very high	90.9	Very high	73 Å²	73	70 Å²	70	45%	0.448	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.6	-176.4	-56.3	0	0	0	0	110.8	F229	T214-F229 PolarHBondContact N-O 2.84Å; T214-F229 PolarHBondContact O-N 3.13Å
215	P	92.5	Very high	91.8	Very high	56 Å²	56	69.5 Å²	69.5	36%	0.364	36%	0.364	S	S	.	.	S	Bend	cis	-66.5	157.5	-9.4	31.1	-38	0	0	0	112.5	V218 L228 L290	P215-V218 HydrophobicContact CG-CG2 3.8Å; P215-L228 HydrophobicContact CG-CD2 4.32Å; P215-L290 WeakPolarHBondContact O-CD2 3.35Å
216	S	85.5	Confident	92.3	Very high	101 Å²	101	62.9 Å²	62.9	71%	0.706	34%	0.335	S	S	*	.	S	Bend	trans	-80	-15.6	-179.6	52.8	0	0	0	0	114.6	L290	S216-L290 WeakPolarHBondContact O-CB 3.21Å
217	K	88.3	Confident	92.7	Very high	124 Å²	124	66 Å²	66	54%	0.539	35%	0.348	S	S	.	.			trans	-135.4	141.4	166.3	-178.7	174.6	-176.3	-164.7	0	109.4	T219 D293	K217-T219 WeakPolarHBondContact CE-OG1 3.32Å; K217-T219 PolarHBondContact NZ-OG1 2.79Å; K217-D293 WeakPolarHBondContact CE-OD2 3.38Å; K217-D293 IonicContact NZ-OD2 3.02Å; K217-D293 PolarHBondContact NZ-OD2 3.12Å
218	V	92.8	Very high	93	Very high	9 Å²	9	61 Å²	61	6%	0.055	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	122.3	170.2	172.3	0	0	0	0	109	P215 K220 V226 L228 L290 L292 D293	P215-V218 HydrophobicContact CG-CG2 3.8Å; V218-K220 HydrophobicContact CG1-CB 4.4Å; V218-K220 HydrophobicContact CG1-CG 3.9Å; V218-V226 HydrophobicContact CG1-CG1 4.09Å; V218-V226 HydrophobicContact CG1-CG2 3.74Å; V218-V226 HydrophobicContact CG2-CG1 4.07Å; V218-L228 HydrophobicContact CG2-CD2 3.73Å; V218-L290 HydrophobicContact CG2-CD2 4.25Å; V218-L292 HydrophobicContact CB-CD2 4.34Å; V218-L292 HydrophobicContact CG1-CD2 4.25Å; V218-D293 VanDerWaalsContact O-CB 3.31Å; V218-D293 WeakPolarHBondContact O-CB 3.45Å; V218-D293 PolarHBondContact O-N 3.28Å; V218-D293 VanDerWaalsContact O-N 3.08Å
219	T	94.3	Very high	93.3	Very high	65 Å²	65	62.8 Å²	62.8	40%	0.399	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.4	167.4	-61.9	0	0	0	0	108.1	K217 D293 L295	K217-T219 WeakPolarHBondContact CE-OG1 3.32Å; K217-T219 PolarHBondContact NZ-OG1 2.79Å; T219-D293 CarbonylContact C-O 3.43Å; T219-D293 VanDerWaalsContact CA-O 3.25Å; T219-D293 WeakPolarHBondContact CA-O 3.34Å; T219-D293 HydrophobicContact CG2-CB 4.41Å; T219-D293 WeakPolarHBondContact CG2-OD2 3.28Å; T219-D293 PolarHBondContact OG1-OD2 2.88Å; T219-L295 HydrophobicContact CG2-CD1 3.41Å; T219-L295 VanDerWaalsContact CG2-CD1 3.41Å; T219-L295 HydrophobicContact CG2-CG 4.21Å
220	K	94.5	Very high	93.4	Very high	85 Å²	85	62.8 Å²	62.8	37%	0.37	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	162.9	-172.9	-79.3	-56.3	-154.5	157.4	0	112.8	V218 D224 V226 L266 D293 I294 L295	V218-K220 HydrophobicContact CG1-CB 4.4Å; V218-K220 HydrophobicContact CG1-CG 3.9Å; K220-D224 HydrophobicContact CB-CB 4.17Å; K220-D224 HydrophobicContact CD-CB 4.41Å; K220-D224 WeakPolarHBondContact CD-OD2 3.33Å; K220-D224 IonicContact NZ-OD2 3.18Å; K220-V226 HydrophobicContact CB-CG2 4.34Å; K220-V226 HydrophobicContact CG-CG2 3.65Å; K220-L266 HydrophobicContact CB-CD1 3.75Å; K220-L266 HydrophobicContact CG-CD1 4.47Å; K220-D293 PolarHBondContact N-O 3.29Å; K220-I294 CarbonylContact O-C 3.53Å; K220-I294 WeakPolarHBondContact O-CA 3.5Å; K220-L295 WeakPolarHBondContact O-CB 3.45Å; K220-L295 PolarHBondContact O-N 2.95Å
221	M	93.6	Very high	93.5	Very high	61 Å²	61	60.3 Å²	60.3	30%	0.3	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	157.1	173.4	-64.1	-55.8	-56.8	0	0	111.3	D224 L295 Y378	M221-D224 WeakPolarHBondContact CB-OD2 3.49Å; M221-D224 PolarHBondContact N-OD2 2.91Å; M221-D224 WeakPolarHBondContact O-CB 3.47Å; M221-D224 PolarHBondContact O-N 3.25Å; M221-L295 CarbonylContact C-O 3.39Å; M221-L295 WeakPolarHBondContact CA-O 3.47Å; M221-L295 HydrophobicContact CE-CB 4.15Å; M221-L295 VanDerWaalsContact CE-O 3.3Å; M221-L295 WeakPolarHBondContact CE-O 3.09Å; M221-L295 HydrophobicContact SD-CB 3.59Å; M221-L295 VanDerWaalsContact SD-CB 3.59Å; M221-L295 HydrophobicContact SD-CD1 4.27Å; M221-Y378 HydrophobicContact CE-CD1 3.54Å; M221-Y378 HydrophobicContact CE-CD2 3.91Å; M221-Y378 HydrophobicContact CE-CE1 3.6Å; M221-Y378 HydrophobicContact CE-CE2 3.97Å; M221-Y378 HydrophobicContact CE-CG 3.69Å; M221-Y378 HydrophobicContact SD-CD1 4.09Å; M221-Y378 HydrophobicContact SD-CE1 3.48Å; M221-Y378 WeakPolarHBondContact SD-CE1 3Å; M221-Y378 HydrophobicContact SD-CE2 4.07Å
222	E	93.2	Very high	93.5	Very high	57 Å²	57	60 Å²	60	27%	0.266	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	143.5	160.3	-163.4	-168.6	-118.5	0	0	110	D224 L266 S268 I294 L295 F296	E222-D224 PolarHBondContact O-N 2.82Å; E222-L266 WeakPolarHBondContact CG-O 3.23Å; E222-S268 WeakPolarHBondContact OE1-CB 3.45Å; E222-S268 PolarHBondContact OE1-N 2.93Å; E222-S268 PolarHBondContact OE1-OG 2.88Å; E222-I294 HydrophobicContact CB-CG2 4.42Å; E222-L295 PolarHBondContact N-O 3.29Å; E222-F296 HydrophobicContact CB-CB 4.19Å
223	K	92.4	Very high	93.5	Very high	136 Å²	136	59.5 Å²	59.5	59%	0.591	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	-2.1	-177.4	-43.9	-176	178.3	77.5	0	115.6	N265 L266	K223-N265 WeakPolarHBondContact CB-OD1 3.06Å; K223-L266 PolarHBondContact N-O 3.01Å
224	D	94.7	Very high	93.3	Very high	55 Å²	55	59.9 Å²	59.9	29%	0.294	32%	0.322	S	S	.	.			trans	-64.6	164.9	165.3	-86.3	-31.9	0	0	0	111.6	K220 M221 E222 N265 L266	K220-D224 HydrophobicContact CB-CB 4.17Å; K220-D224 HydrophobicContact CD-CB 4.41Å; K220-D224 WeakPolarHBondContact CD-OD2 3.33Å; K220-D224 IonicContact NZ-OD2 3.18Å; M221-D224 WeakPolarHBondContact CB-OD2 3.49Å; M221-D224 PolarHBondContact N-OD2 2.91Å; M221-D224 WeakPolarHBondContact O-CB 3.47Å; M221-D224 PolarHBondContact O-N 3.25Å; E222-D224 PolarHBondContact O-N 2.82Å; D224-N265 PolarHBondContact O-N 2.94Å; D224-L266 HydrophobicContact CB-CD1 4.18Å; D224-L266 WeakPolarHBondContact O-CG 3.16Å; D224-L266 PolarHBondContact O-N 2.94Å
225	N	94.7	Very high	93.1	Very high	107 Å²	107	60 Å²	60	57%	0.572	32%	0.318	S	S	*	.			trans	-108.3	150	168.7	-58.6	-33	0	0	0	110.4	L263 S264 N265	N225-L263 WeakPolarHBondContact CA-O 3.4Å; N225-S264 VanDerWaalsContact OD1-CA 3.28Å; N225-S264 WeakPolarHBondContact OD1-CA 3.49Å; N225-N265 PolarHBondContact OD1-N 3.19Å
226	V	94.6	Very high	93	Very high	10 Å²	10	59.8 Å²	59.8	6%	0.061	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	141	-178.9	166.4	0	0	0	0	110.3	V218 K220 L228 R262 L263 L266	V218-V226 HydrophobicContact CG1-CG1 4.09Å; V218-V226 HydrophobicContact CG1-CG2 3.74Å; V218-V226 HydrophobicContact CG2-CG1 4.07Å; K220-V226 HydrophobicContact CB-CG2 4.34Å; K220-V226 HydrophobicContact CG-CG2 3.65Å; V226-L228 HydrophobicContact CG1-CD2 3.88Å; V226-L228 HydrophobicContact CG1-CG 3.98Å; V226-R262 CarbonylContact O-C 3.58Å; V226-L263 HydrophobicContact CB-CB 4.3Å; V226-L263 HydrophobicContact CB-CD1 4.41Å; V226-L263 HydrophobicContact CG1-CD1 4.39Å; V226-L263 PolarHBondContact N-O 2.84Å; V226-L263 PolarHBondContact O-N 2.84Å; V226-L266 HydrophobicContact CG2-CD1 3.79Å
227	E	95.1	Very high	93.3	Very high	90 Å²	90	59.3 Å²	59.3	42%	0.421	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	128.3	172.2	-54.7	-165.4	151.6	0	0	109.5	F229 R262	E227-F229 HydrophobicContact CB-CE2 4Å; E227-F229 HydrophobicContact CB-CZ 4.22Å; E227-R262 HydrophobicContact CG-CG 4.17Å; E227-R262 WeakPolarHBondContact OE1-CD 3.48Å; E227-R262 IonicContact OE1-CZ 3.24Å; E227-R262 IonicContact OE1-NE 3.99Å; E227-R262 IonicContact OE1-NH1 2.7Å; E227-R262 PolarHBondContact OE1-NH1 3.16Å; E227-R262 IonicContact OE2-NH1 2.66Å
228	L	95.4	Very high	93.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.1	-179.7	-62.5	-178	0	0	0	109.7	L213 P215 V218 V226 W242 V260 L261 I275 L290	L213-L228 HydrophobicContact CD1-CB 4.18Å; P215-L228 HydrophobicContact CG-CD2 4.32Å; V218-L228 HydrophobicContact CG2-CD2 3.73Å; V226-L228 HydrophobicContact CG1-CD2 3.88Å; V226-L228 HydrophobicContact CG1-CG 3.98Å; L228-W242 HydrophobicContact CB-CH2 4.18Å; L228-V260 CarbonylContact O-C 3.59Å; L228-V260 WeakPolarHBondContact O-CA 3.4Å; L228-L261 HydrophobicContact CB-CB 4.26Å; L228-L261 HydrophobicContact CD1-CD2 4.14Å; L228-L261 PolarHBondContact N-O 3.13Å; L228-L261 PolarHBondContact O-N 3.19Å; L228-I275 HydrophobicContact CD1-CD1 3.62Å; L228-I275 HydrophobicContact CD1-CG2 4.07Å; L228-L290 HydrophobicContact CD1-CD2 4.03Å; L228-L290 HydrophobicContact CD2-CD2 3.67Å; L228-L290 HydrophobicContact CG-CD2 4.49Å
229	F	95.6	Very high	93.5	Very high	84 Å²	84	59 Å²	59	37%	0.368	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.2	-179	-58.9	-94.2	0	0	0	108.5	T214 E227 V260	T214-F229 PolarHBondContact N-O 2.84Å; T214-F229 PolarHBondContact O-N 3.13Å; E227-F229 HydrophobicContact CB-CE2 4Å; E227-F229 HydrophobicContact CB-CZ 4.22Å; F229-V260 HydrophobicContact CD1-CG1 4.18Å; F229-V260 HydrophobicContact CD1-CG2 3.74Å; F229-V260 HydrophobicContact CE1-CG1 3.86Å; F229-V260 HydrophobicContact CE1-CG2 3.83Å; F229-V260 HydrophobicContact CZ-CG1 4.25Å
230	C	95.6	Very high	93.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.1	165.8	-174.7	0	0	0	0	109.7	T212 L213 W242 I258 S259 C277	T212-C230 WeakPolarHBondContact O-CA 3.37Å; L213-C230 HydrophobicContact CD1-CB 4.3Å; C230-W242 HydrophobicContact CB-CH2 3.71Å; C230-W242 HydrophobicContact CB-CZ2 3.56Å; C230-I258 CarbonylContact O-C 3.45Å; C230-I258 WeakPolarHBondContact O-CA 3.32Å; C230-S259 PolarHBondContact N-O 2.93Å; C230-S259 PolarHBondContact O-N 2.91Å; C230-C277 HydrophobicContact CB-CB 3.6Å; C230-C277 WeakPolarHBondContact CB-SG 3.39Å; C230-C277 WeakPolarHBondContact SG-CB 3.33Å; C230-C277 CovalentContact SG-SG 2.02Å; C230-C277 PolarHBondContact SG-SG 2.76Å
231	T	94.8	Very high	93.3	Very high	62 Å²	62	56 Å²	56	38%	0.38	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.1	168.6	-57.8	0	0	0	0	109.2	T212 I258	T212-T231 PolarHBondContact N-O 2.81Å; T212-T231 PolarHBondContact O-N 3.07Å; T231-I258 HydrophobicContact CG2-CG1 4.23Å
232	T	94.7	Very high	93.2	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.037	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	153.2	178	60	0	0	0	0	111.7	M210 A211 L240 Q257 A279	M210-T232 VanDerWaalsContact O-CA 3.23Å; M210-T232 WeakPolarHBondContact O-CA 3.29Å; A211-T232 HydrophobicContact CB-CG2 4.45Å; T232-L240 HydrophobicContact CG2-CB 4.2Å; T232-L240 HydrophobicContact CG2-CD1 3.68Å; T232-L240 HydrophobicContact CG2-CG 3.75Å; T232-Q257 PolarHBondContact N-O 3.12Å; T232-Q257 PolarHBondContact O-OE1 3.5Å; T232-Q257 PolarHBondContact OG1-O 2.95Å; T232-Q257 PolarHBondContact OG1-OE1 2.95Å; T232-A279 HydrophobicContact CG2-CB 3.67Å
233	S	92.8	Very high	93.1	Very high	60 Å²	60	56.6 Å²	56.6	42%	0.42	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	153.7	175.2	61.3	0	0	0	0	110.7	P209 M210	P209-S233 CarbonylContact C-O 3.41Å; P209-S233 VanDerWaalsContact CA-O 3.24Å; P209-S233 WeakPolarHBondContact CA-O 3.33Å; M210-S233 PolarHBondContact N-O 2.85Å; M210-S233 PolarHBondContact O-N 3.23Å
234	G	89.9	Confident	93	Very high	17 Å²	17	51.6 Å²	51.6	18%	0.175	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.1	165.6	180	0	0	0	0	0	111.9	P236	G234-P236 CarbonylContact C-O 3.53Å; G234-P236 CarbonylContact O-C 3.58Å
235	M	89.6	Confident	92.8	Very high	74 Å²	74	53.1 Å²	53.1	37%	0.365	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	114.2	-179.3	-72.4	-75.3	-83.2	0	0	109.2	K205 C206 E207	K205-M235 HydrophobicContact CB-CE 3.88Å; K205-M235 HydrophobicContact CD-CE 4.21Å; K205-M235 HydrophobicContact CG-CE 3.81Å; K205-M235 CarbonylContact O-C 3.55Å; C206-M235 CarbonylContact C-O 3.49Å; C206-M235 WeakPolarHBondContact CA-O 3.45Å; E207-M235 HydrophobicContact CB-CB 4.23Å; E207-M235 PolarHBondContact N-O 2.62Å
236	P	91.3	Very high	92.5	Very high	53 Å²	53	49.3 Å²	49.3	34%	0.344	28%	0.281	S	S	.	.	S	Bend	cis	-65.5	164.8	-1.5	-21.7	34.9	0	0	0	114.9	G234 P238 N281 I282	G234-P236 CarbonylContact C-O 3.53Å; G234-P236 CarbonylContact O-C 3.58Å; P236-P238 VanDerWaalsContact O-CD 3.32Å; P236-P238 WeakPolarHBondContact O-CD 3.36Å; P236-P238 VanDerWaalsContact O-N 3.14Å; P236-N281 WeakPolarHBondContact O-CB 3.34Å; P236-N281 PolarHBondContact O-ND2 3.13Å; P236-I282 HydrophobicContact CG-CD1 3.78Å; P236-I282 HydrophobicContact CG-CG1 3.93Å
237	S	91.8	Very high	92.4	Very high	90 Å²	90	53.9 Å²	53.9	63%	0.629	31%	0.309	S	S	*	.			trans	-27.6	102	165.1	69.1	0	0	0	0	115.1
238	P	93.3	Very high	92.2	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.032	29%	0.291	C	S	.	.			trans	-72.6	150.1	176.2	25.6	-31	0	0	0	113.3	P209 P236 Q257 A279 E280 N281	P209-P238 HydrophobicContact CB-CB 3.65Å; P209-P238 HydrophobicContact CB-CG 3.87Å; P236-P238 VanDerWaalsContact O-CD 3.32Å; P236-P238 WeakPolarHBondContact O-CD 3.36Å; P236-P238 VanDerWaalsContact O-N 3.14Å; P238-Q257 VanDerWaalsContact CD-OE1 3.29Å; P238-Q257 VanDerWaalsContact CG-OE1 3.3Å; P238-Q257 PolarHBondContact O-NE2 2.85Å; P238-A279 HydrophobicContact CB-CB 4.07Å; P238-A279 HydrophobicContact CG-CB 4.38Å; P238-E280 CarbonylContact C-O 3.59Å; P238-E280 WeakPolarHBondContact CA-O 3.18Å; P238-E280 WeakPolarHBondContact CB-O 3.35Å; P238-N281 HydrophobicContact CB-CB 4.24Å
239	E	91.3	Very high	92.1	Very high	122 Å²	122	55.5 Å²	55.5	57%	0.57	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	138.1	166.6	-172.2	167.1	-177.2	0	0	109.3	I241 A279 E280	E239-I241 HydrophobicContact CG-CG1 4.42Å; E239-A279 WeakPolarHBondContact O-CA 3.32Å; E239-E280 HydrophobicContact CB-CG 4.26Å; E239-E280 PolarHBondContact N-O 3.21Å; E239-E280 PolarHBondContact O-N 3.39Å
240	L	93.1	Very high	92	Very high	29 Å²	29	56.9 Å²	56.9	15%	0.152	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.7	-173.8	-170.2	166.8	0	0	0	109.3	T232 M278	T232-L240 HydrophobicContact CG2-CB 4.2Å; T232-L240 HydrophobicContact CG2-CD1 3.68Å; T232-L240 HydrophobicContact CG2-CG 3.75Å; L240-M278 WeakPolarHBondContact CA-O 3.14Å
241	I	91.6	Very high	91.9	Very high	59 Å²	59	60.8 Å²	60.8	30%	0.303	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.4	-174.2	-55.4	175.3	0	0	0	108.9	E239 M278 E280	E239-I241 HydrophobicContact CG-CG1 4.42Å; I241-M278 HydrophobicContact CB-CB 4.36Å; I241-M278 PolarHBondContact N-O 2.82Å; I241-M278 PolarHBondContact O-N 3.08Å; I241-E280 HydrophobicContact CD1-CG 3.97Å
242	W	92.8	Very high	91.9	Very high	35 Å²	35	61.1 Å²	61.1	13%	0.133	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	135.2	168.5	-69.6	95.9	0	0	0	110.1	L213 L228 C230 M244 I252 S259 L261 I275 S276 C277	L213-W242 HydrophobicContact CD1-CH2 3.47Å; L213-W242 VanDerWaalsContact CD1-CH2 3.47Å; L213-W242 HydrophobicContact CD1-CZ3 3.6Å; L228-W242 HydrophobicContact CB-CH2 4.18Å; C230-W242 HydrophobicContact CB-CH2 3.71Å; C230-W242 HydrophobicContact CB-CZ2 3.56Å; W242-M244 HydrophobicContact CB-SD 4.35Å; W242-I252 HydrophobicContact CB-CD1 4.22Å; W242-I252 HydrophobicContact CG-CD1 4.1Å; W242-S259 PolarHBondContact NE1-OG 2.76Å; W242-L261 HydrophobicContact CD2-CB 4.36Å; W242-L261 HydrophobicContact CD2-CD2 4.19Å; W242-L261 HydrophobicContact CE3-CB 4.44Å; W242-L261 HydrophobicContact CE3-CD2 3.71Å; W242-L261 HydrophobicContact CH2-CB 3.67Å; W242-L261 HydrophobicContact CH2-CD2 4.09Å; W242-L261 HydrophobicContact CZ2-CB 3.58Å; W242-L261 HydrophobicContact CZ3-CB 4.12Å; W242-L261 HydrophobicContact CZ3-CD2 3.65Å; W242-I275 HydrophobicContact CE3-CG2 3.94Å; W242-I275 HydrophobicContact CZ3-CG2 3.77Å; W242-S276 WeakPolarHBondContact CA-O 3.39Å; W242-C277 HydrophobicContact CD2-CB 4.37Å; W242-C277 HydrophobicContact CE3-CB 3.96Å; W242-C277 HydrophobicContact CH2-CB 4.29Å; W242-C277 HydrophobicContact CZ3-CB 3.92Å
243	N	90.5	Very high	91.8	Very high	95 Å²	95	65 Å²	65	51%	0.508	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	114.8	173.2	-179.5	15.3	0	0	0	108.6	S276	N243-S276 PolarHBondContact N-O 2.88Å; N243-S276 WeakPolarHBondContact O-CB 3.27Å; N243-S276 PolarHBondContact O-N 2.89Å
244	M	90.8	Very high	91.8	Very high	31 Å²	31	66.1 Å²	66.1	15%	0.153	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	142.6	-168.7	50	-176.5	-79.3	0	0	110.1	W242 L246 Y250 L261 L263	W242-M244 HydrophobicContact CB-SD 4.35Å; M244-L246 HydrophobicContact CB-CG 4.49Å; M244-L246 HydrophobicContact CE-CD1 3.65Å; M244-L246 HydrophobicContact CE-CG 4.03Å; M244-Y250 HydrophobicContact CE-CD1 3.6Å; M244-Y250 HydrophobicContact CE-CD2 3.87Å; M244-Y250 HydrophobicContact CE-CE1 3.71Å; M244-Y250 HydrophobicContact CE-CE2 3.96Å; M244-Y250 HydrophobicContact CE-CG 3.69Å; M244-Y250 HydrophobicContact SD-CE2 4.47Å; M244-L261 HydrophobicContact CE-CD1 4.03Å; M244-L261 HydrophobicContact CE-CD2 4.16Å; M244-L261 HydrophobicContact SD-CD1 4Å; M244-L261 HydrophobicContact SD-CD2 3.57Å; M244-L261 VanDerWaalsContact SD-CD2 3.57Å; M244-L261 HydrophobicContact SD-CG 4.47Å; M244-L263 HydrophobicContact CE-CD2 4.45Å
245	A	88.8	Confident	91.8	Very high	87 Å²	87	70.1 Å²	70.1	72%	0.719	39%	0.394	S	S	*	.			trans	-131.2	88.8	175.3	0	0	0	0	0	108.6
246	L	90.2	Very high	91.7	Very high	27 Å²	27	69.7 Å²	69.7	14%	0.141	41%	0.408	C	S	.	.			trans	-120.9	155	-175.4	-53.8	-176	0	0	0	111.4	M244 L263 D270 K273 I275 L292	M244-L246 HydrophobicContact CB-CG 4.49Å; M244-L246 HydrophobicContact CE-CD1 3.65Å; M244-L246 HydrophobicContact CE-CG 4.03Å; L246-L263 HydrophobicContact CD1-CD1 4.27Å; L246-L263 HydrophobicContact CD1-CD2 3.87Å; L246-D270 VanDerWaalsContact CA-OD1 3.28Å; L246-D270 WeakPolarHBondContact CA-OD1 3.06Å; L246-D270 HydrophobicContact CD2-CB 4.16Å; L246-K273 HydrophobicContact CD2-CB 3.69Å; L246-K273 HydrophobicContact CD2-CG 4.35Å; L246-I275 HydrophobicContact CD1-CD1 3.91Å; L246-I275 HydrophobicContact CD1-CG1 4.09Å; L246-I275 HydrophobicContact CD2-CG1 4.37Å; L246-L292 HydrophobicContact CD1-CD1 4.2Å; L246-L292 HydrophobicContact CD2-CD1 3.99Å
247	V	91.3	Very high	91.7	Very high	106 Å²	106	69.8 Å²	69.8	64%	0.642	40%	0.404	S	S	*	.	S	Bend	trans	-91.6	-27.5	170.8	-174.1	0	0	0	0	111.5	M269 D270	V247-M269 HydrophobicContact CG2-CB 4.35Å; V247-D270 PolarHBondContact N-OD1 3.05Å; V247-D270 PolarHBondContact N-OD2 3.35Å
248	T	91.8	Very high	91.7	Very high	5 Å²	5	69.4 Å²	69.4	3%	0.031	39%	0.394	C	S	.	.	S	Bend	trans	-61.4	135.4	178.1	-61.5	0	0	0	0	111.8	Y250 L263 S264 L266 S267 D270	T248-Y250 WeakPolarHBondContact O-CD1 3.23Å; T248-Y250 PolarHBondContact O-N 3.14Å; T248-L263 HydrophobicContact CG2-CB 4.19Å; T248-S264 VanDerWaalsContact CG2-O 3.27Å; T248-S264 WeakPolarHBondContact CG2-O 3.49Å; T248-L266 HydrophobicContact CG2-CD2 4.24Å; T248-S267 PolarHBondContact OG1-N 3.11Å; T248-D270 WeakPolarHBondContact CB-OD2 3.39Å; T248-D270 PolarHBondContact N-OD2 2.9Å; T248-D270 PolarHBondContact OG1-OD2 2.9Å
249	N	91.8	Very high	91.8	Very high	118 Å²	118	69.1 Å²	69.1	63%	0.631	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	130.5	176.3	-70.7	-57.1	0	0	0	111.5	S264	N249-S264 PolarHBondContact O-N 2.97Å; N249-S264 PolarHBondContact O-OG 2.63Å
250	Y	93.8	Very high	92.1	Very high	114 Å²	114	64.3 Å²	64.3	45%	0.447	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	156.8	-175.6	67.8	-92.1	0	0	0	114.2	M244 T248 I252 L261 R262	M244-Y250 HydrophobicContact CE-CD1 3.6Å; M244-Y250 HydrophobicContact CE-CD2 3.87Å; M244-Y250 HydrophobicContact CE-CE1 3.71Å; M244-Y250 HydrophobicContact CE-CE2 3.96Å; M244-Y250 HydrophobicContact CE-CG 3.69Å; M244-Y250 HydrophobicContact SD-CE2 4.47Å; T248-Y250 WeakPolarHBondContact O-CD1 3.23Å; T248-Y250 PolarHBondContact O-N 3.14Å; Y250-I252 HydrophobicContact CD2-CD1 4.12Å; Y250-I252 HydrophobicContact CD2-CG1 4.09Å; Y250-I252 HydrophobicContact CE2-CD1 3.87Å; Y250-I252 HydrophobicContact CE2-CG1 4.32Å; Y250-L261 HydrophobicContact CD2-CD1 3.81Å; Y250-L261 HydrophobicContact CG-CD1 4.1Å; Y250-R262 CarbonylContact C-O 3.49Å; Y250-R262 WeakPolarHBondContact CA-O 3.31Å
251	V	94.3	Very high	92.2	Very high	82 Å²	82	62.9 Å²	62.9	50%	0.497	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.9	173.6	-178.5	0	0	0	0	108.7	E253 L261 R262	V251-E253 HydrophobicContact CG1-CG 4.27Å; V251-L261 WeakPolarHBondContact O-CA 3.36Å; V251-R262 PolarHBondContact N-O 2.96Å; V251-R262 PolarHBondContact O-N 3.12Å
252	I	94.2	Very high	92.4	Very high	68 Å²	68	64.7 Å²	64.7	35%	0.349	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.8	177	-64.8	168.5	0	0	0	109.2	W242 Y250 S259 V260 L261	W242-I252 HydrophobicContact CB-CD1 4.22Å; W242-I252 HydrophobicContact CG-CD1 4.1Å; Y250-I252 HydrophobicContact CD2-CD1 4.12Å; Y250-I252 HydrophobicContact CD2-CG1 4.09Å; Y250-I252 HydrophobicContact CE2-CD1 3.87Å; Y250-I252 HydrophobicContact CE2-CG1 4.32Å; I252-S259 WeakPolarHBondContact CG2-OG 3.28Å; I252-V260 WeakPolarHBondContact CA-O 3.29Å; I252-L261 HydrophobicContact CD1-CD1 4.31Å; I252-L261 HydrophobicContact CG1-CB 4.47Å; I252-L261 HydrophobicContact CG1-CD1 3.69Å
253	E	93.5	Very high	92.5	Very high	88 Å²	88	63.1 Å²	63.1	41%	0.411	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	102.3	178.3	-64.2	177.3	140.2	0	0	109.5	V251 S259 V260 R262	V251-E253 HydrophobicContact CG1-CG 4.27Å; E253-S259 WeakPolarHBondContact O-CA 3.22Å; E253-V260 HydrophobicContact CB-CB 4.48Å; E253-V260 PolarHBondContact N-O 3.18Å; E253-V260 PolarHBondContact O-N 3.11Å; E253-R262 IonicContact OE1-NH2 3.6Å; E253-R262 IonicContact OE2-CZ 3.52Å; E253-R262 IonicContact OE2-NE 3.85Å; E253-R262 PolarHBondContact OE2-NE 2.86Å; E253-R262 IonicContact OE2-NH2 2.67Å; E253-R262 PolarHBondContact OE2-NH2 3.35Å
254	T	91.8	Very high	92.7	Very high	84 Å²	84	61 Å²	61	52%	0.515	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.3	-178.3	-58	0	0	0	0	111.5	S259	T254-S259 WeakPolarHBondContact OG1-CB 3.48Å; T254-S259 PolarHBondContact OG1-OG 2.97Å
255	S	89.8	Confident	92.8	Very high	100 Å²	100	63.9 Å²	63.9	70%	0.699	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.9	96.5	176.5	-161.1	0	0	0	0	110.4	Q257 I258	S255-Q257 PolarHBondContact O-N 2.97Å; S255-I258 CarbonylContact C-O 3.47Å; S255-I258 PolarHBondContact N-O 3.17Å; S255-I258 PolarHBondContact O-N 3.23Å; S255-I258 VanDerWaalsContact O-N 3.17Å
256	G	87.6	Confident	93	Very high	65 Å²	65	59.8 Å²	59.8	67%	0.67	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	-97.8	178.8	0	0	0	0	0	113.7
257	Q	91.1	Very high	93.2	Very high	55 Å²	55	59.9 Å²	59.9	26%	0.257	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	14.2	-178	-70.9	-66.9	-70.3	0	0	112.6	T232 P238 S255	T232-Q257 PolarHBondContact N-O 3.12Å; T232-Q257 PolarHBondContact O-OE1 3.5Å; T232-Q257 PolarHBondContact OG1-O 2.95Å; T232-Q257 PolarHBondContact OG1-OE1 2.95Å; P238-Q257 VanDerWaalsContact CD-OE1 3.29Å; P238-Q257 VanDerWaalsContact CG-OE1 3.3Å; P238-Q257 PolarHBondContact O-NE2 2.85Å; S255-Q257 PolarHBondContact O-N 2.97Å
258	I	93.3	Very high	93.2	Very high	82 Å²	82	55.6 Å²	55.6	42%	0.421	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.3	175.2	-58.6	174.8	0	0	0	107.5	C230 T231 S255	C230-I258 CarbonylContact O-C 3.45Å; C230-I258 WeakPolarHBondContact O-CA 3.32Å; T231-I258 HydrophobicContact CG2-CG1 4.23Å; S255-I258 CarbonylContact C-O 3.47Å; S255-I258 PolarHBondContact N-O 3.17Å; S255-I258 PolarHBondContact O-N 3.23Å; S255-I258 VanDerWaalsContact O-N 3.17Å
259	S	95.3	Very high	93	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.6	171.6	-171.4	0	0	0	0	110.3	C230 W242 I252 E253 T254	C230-S259 PolarHBondContact N-O 2.93Å; C230-S259 PolarHBondContact O-N 2.91Å; W242-S259 PolarHBondContact NE1-OG 2.76Å; I252-S259 WeakPolarHBondContact CG2-OG 3.28Å; E253-S259 WeakPolarHBondContact O-CA 3.22Å; T254-S259 WeakPolarHBondContact OG1-CB 3.48Å; T254-S259 PolarHBondContact OG1-OG 2.97Å
260	V	96.3	Very high	93	Very high	20 Å²	20	53.9 Å²	53.9	12%	0.121	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.9	178.4	-170.6	0	0	0	0	108.6	L228 F229 I252 E253 R262	L228-V260 CarbonylContact O-C 3.59Å; L228-V260 WeakPolarHBondContact O-CA 3.4Å; F229-V260 HydrophobicContact CD1-CG1 4.18Å; F229-V260 HydrophobicContact CD1-CG2 3.74Å; F229-V260 HydrophobicContact CE1-CG1 3.86Å; F229-V260 HydrophobicContact CE1-CG2 3.83Å; F229-V260 HydrophobicContact CZ-CG1 4.25Å; I252-V260 WeakPolarHBondContact CA-O 3.29Å; E253-V260 HydrophobicContact CB-CB 4.48Å; E253-V260 PolarHBondContact N-O 3.18Å; E253-V260 PolarHBondContact O-N 3.11Å; V260-R262 HydrophobicContact CG1-CG 4.06Å
261	L	96	Very high	92.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	111.9	172.3	167.1	63.1	0	0	0	108.3	L228 W242 M244 Y250 V251 I252 L263 I275	L228-L261 HydrophobicContact CB-CB 4.26Å; L228-L261 HydrophobicContact CD1-CD2 4.14Å; L228-L261 PolarHBondContact N-O 3.13Å; L228-L261 PolarHBondContact O-N 3.19Å; W242-L261 HydrophobicContact CD2-CB 4.36Å; W242-L261 HydrophobicContact CD2-CD2 4.19Å; W242-L261 HydrophobicContact CE3-CB 4.44Å; W242-L261 HydrophobicContact CE3-CD2 3.71Å; W242-L261 HydrophobicContact CH2-CB 3.67Å; W242-L261 HydrophobicContact CH2-CD2 4.09Å; W242-L261 HydrophobicContact CZ2-CB 3.58Å; W242-L261 HydrophobicContact CZ3-CB 4.12Å; W242-L261 HydrophobicContact CZ3-CD2 3.65Å; M244-L261 HydrophobicContact CE-CD1 4.03Å; M244-L261 HydrophobicContact CE-CD2 4.16Å; M244-L261 HydrophobicContact SD-CD1 4Å; M244-L261 HydrophobicContact SD-CD2 3.57Å; M244-L261 VanDerWaalsContact SD-CD2 3.57Å; M244-L261 HydrophobicContact SD-CG 4.47Å; Y250-L261 HydrophobicContact CD2-CD1 3.81Å; Y250-L261 HydrophobicContact CG-CD1 4.1Å; V251-L261 WeakPolarHBondContact O-CA 3.36Å; I252-L261 HydrophobicContact CD1-CD1 4.31Å; I252-L261 HydrophobicContact CG1-CB 4.47Å; I252-L261 HydrophobicContact CG1-CD1 3.69Å; L261-L263 HydrophobicContact CD1-CD2 3.87Å; L261-L263 HydrophobicContact CD2-CD2 4.3Å; L261-L263 HydrophobicContact CG-CD2 3.99Å; L261-I275 HydrophobicContact CD2-CG2 3.83Å
262	R	95.4	Very high	92.6	Very high	96 Å²	96	48.2 Å²	48.2	36%	0.362	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	118.5	176.2	-53.2	-173.5	-164.8	-117.6	8.2	109	V226 E227 Y250 V251 E253 V260	V226-R262 CarbonylContact O-C 3.58Å; E227-R262 HydrophobicContact CG-CG 4.17Å; E227-R262 WeakPolarHBondContact OE1-CD 3.48Å; E227-R262 IonicContact OE1-CZ 3.24Å; E227-R262 IonicContact OE1-NE 3.99Å; E227-R262 IonicContact OE1-NH1 2.7Å; E227-R262 PolarHBondContact OE1-NH1 3.16Å; E227-R262 IonicContact OE2-NH1 2.66Å; Y250-R262 CarbonylContact C-O 3.49Å; Y250-R262 WeakPolarHBondContact CA-O 3.31Å; V251-R262 PolarHBondContact N-O 2.96Å; V251-R262 PolarHBondContact O-N 3.12Å; E253-R262 IonicContact OE1-NH2 3.6Å; E253-R262 IonicContact OE2-CZ 3.52Å; E253-R262 IonicContact OE2-NE 3.85Å; E253-R262 PolarHBondContact OE2-NE 2.86Å; E253-R262 IonicContact OE2-NH2 2.67Å; E253-R262 PolarHBondContact OE2-NH2 3.35Å; V260-R262 HydrophobicContact CG1-CG 4.06Å
263	L	95.7	Very high	92.4	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.3	172.6	-51.2	179.2	0	0	0	108.9	N225 V226 M244 L246 T248 L261 L266 I275 L292	N225-L263 WeakPolarHBondContact CA-O 3.4Å; V226-L263 HydrophobicContact CB-CB 4.3Å; V226-L263 HydrophobicContact CB-CD1 4.41Å; V226-L263 HydrophobicContact CG1-CD1 4.39Å; V226-L263 PolarHBondContact N-O 2.84Å; V226-L263 PolarHBondContact O-N 2.84Å; M244-L263 HydrophobicContact CE-CD2 4.45Å; L246-L263 HydrophobicContact CD1-CD1 4.27Å; L246-L263 HydrophobicContact CD1-CD2 3.87Å; T248-L263 HydrophobicContact CG2-CB 4.19Å; L261-L263 HydrophobicContact CD1-CD2 3.87Å; L261-L263 HydrophobicContact CD2-CD2 4.3Å; L261-L263 HydrophobicContact CG-CD2 3.99Å; L263-L266 HydrophobicContact CB-CD2 4.28Å; L263-L266 HydrophobicContact CD1-CD2 4.07Å; L263-I275 HydrophobicContact CD1-CD1 3.84Å; L263-L292 HydrophobicContact CD1-CD1 4.32Å; L263-L292 HydrophobicContact CD1-CD2 4.24Å
264	S	93.9	Very high	92.4	Very high	49 Å²	49	48.9 Å²	48.9	34%	0.343	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133	-176.3	59.5	0	0	0	0	112.6	N225 T248 N249	N225-S264 VanDerWaalsContact OD1-CA 3.28Å; N225-S264 WeakPolarHBondContact OD1-CA 3.49Å; T248-S264 VanDerWaalsContact CG2-O 3.27Å; T248-S264 WeakPolarHBondContact CG2-O 3.49Å; N249-S264 PolarHBondContact O-N 2.97Å; N249-S264 PolarHBondContact O-OG 2.63Å
265	N	92.6	Very high	92.5	Very high	92 Å²	92	44.9 Å²	44.9	49%	0.492	25%	0.251	S	S	.	.	S	Bend	trans	53.3	65.6	-176.1	-177.7	67.2	0	0	0	112	K223 D224 N225 S267	K223-N265 WeakPolarHBondContact CB-OD1 3.06Å; D224-N265 PolarHBondContact O-N 2.94Å; N225-N265 PolarHBondContact OD1-N 3.19Å; N265-S267 PolarHBondContact O-N 2.92Å
266	L	93.9	Very high	92.7	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.219	C	C	.	.			trans	-47.9	130.7	-178.7	-79.1	170.8	0	0	0	113.1	K220 E222 K223 D224 V226 T248 L263 I294	K220-L266 HydrophobicContact CB-CD1 3.75Å; K220-L266 HydrophobicContact CG-CD1 4.47Å; E222-L266 WeakPolarHBondContact CG-O 3.23Å; K223-L266 PolarHBondContact N-O 3.01Å; D224-L266 HydrophobicContact CB-CD1 4.18Å; D224-L266 WeakPolarHBondContact O-CG 3.16Å; D224-L266 PolarHBondContact O-N 2.94Å; V226-L266 HydrophobicContact CG2-CD1 3.79Å; T248-L266 HydrophobicContact CG2-CD2 4.24Å; L263-L266 HydrophobicContact CB-CD2 4.28Å; L263-L266 HydrophobicContact CD1-CD2 4.07Å; L266-I294 HydrophobicContact CB-CD1 4.41Å; L266-I294 HydrophobicContact CD2-CD1 3.99Å
267	S	93.1	Very high	93.1	Very high	30 Å²	30	37.2 Å²	37.2	21%	0.21	19%	0.187	C	C	.	.			trans	-92.2	136.7	173.4	-174.4	0	0	0	0	111.9	T248 N265 M269 D270 I294	T248-S267 PolarHBondContact OG1-N 3.11Å; N265-S267 PolarHBondContact O-N 2.92Å; S267-M269 PolarHBondContact O-N 2.58Å; S267-M269 VanDerWaalsContact O-N 3.14Å; S267-M269 PolarHBondContact OG-N 2.83Å; S267-D270 PolarHBondContact O-N 3.07Å; S267-I294 WeakPolarHBondContact O-CD1 3.45Å
268	S	91.4	Very high	93.1	Very high	16 Å²	16	35.8 Å²	35.8	11%	0.112	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-58.7	-20.1	170.2	47.1	0	0	0	0	113.7	E222 D270 H271	E222-S268 WeakPolarHBondContact OE1-CB 3.45Å; E222-S268 PolarHBondContact OE1-N 2.93Å; E222-S268 PolarHBondContact OE1-OG 2.88Å; S268-D270 PolarHBondContact O-N 2.89Å; S268-H271 WeakPolarHBondContact O-CB 3.27Å; S268-H271 PolarHBondContact O-N 2.91Å
269	M	89.2	Confident	93.2	Very high	85 Å²	85	31.9 Å²	31.9	42%	0.419	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-65.1	-22.6	173.3	-62.4	-59.4	-61.9	0	0	113.6	V247 S267 H271	V247-M269 HydrophobicContact CG2-CB 4.35Å; S267-M269 PolarHBondContact O-N 2.58Å; S267-M269 VanDerWaalsContact O-N 3.14Å; S267-M269 PolarHBondContact OG-N 2.83Å; M269-H271 VanDerWaalsContact C-N 3.34Å
270	D	91.1	Very high	93.1	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-91.7	6.1	179.7	-66.1	-34.7	0	0	0	113.2	L246 V247 T248 S267 S268 N272 K273 L292 I294	L246-D270 VanDerWaalsContact CA-OD1 3.28Å; L246-D270 WeakPolarHBondContact CA-OD1 3.06Å; L246-D270 HydrophobicContact CD2-CB 4.16Å; V247-D270 PolarHBondContact N-OD1 3.05Å; V247-D270 PolarHBondContact N-OD2 3.35Å; T248-D270 WeakPolarHBondContact CB-OD2 3.39Å; T248-D270 PolarHBondContact N-OD2 2.9Å; T248-D270 PolarHBondContact OG1-OD2 2.9Å; S267-D270 PolarHBondContact O-N 3.07Å; S268-D270 PolarHBondContact O-N 2.89Å; D270-N272 PolarHBondContact O-N 2.9Å; D270-K273 HydrophobicContact CB-CG 4.41Å; D270-K273 WeakPolarHBondContact O-CB 3.47Å; D270-K273 WeakPolarHBondContact O-CG 3.32Å; D270-K273 PolarHBondContact O-N 2.8Å; D270-L292 HydrophobicContact CB-CD1 4.11Å; D270-L292 WeakPolarHBondContact O-CB 3.4Å; D270-I294 HydrophobicContact CB-CD1 3.81Å
271	H	91	Very high	92.9	Very high	15 Å²	15	32 Å²	32	7%	0.069	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	138.2	172.4	-174.3	32.1	0	0	0	110.7	S268 M269 K273 L292 D293 I294 F296 N321 E350	S268-H271 WeakPolarHBondContact O-CB 3.27Å; S268-H271 PolarHBondContact O-N 2.91Å; M269-H271 VanDerWaalsContact C-N 3.34Å; H271-K273 PolarHBondContact O-N 2.87Å; H271-K273 VanDerWaalsContact O-N 3.11Å; H271-L292 PolarHBondContact ND1-O 3.25Å; H271-D293 IonicContact CE1-OD1 2.62Å; H271-I294 HydrophobicContact CB-CB 4.25Å; H271-I294 PolarHBondContact ND1-N 3.07Å; H271-F296 HydrophobicContact CB-CE1 4.35Å; H271-N321 PolarHBondContact CE1-ND2 2.92Å; H271-N321 PolarHBondContact NE2-ND2 2.96Å; H271-E350 PolarHBondContact CD2-O 3.07Å
272	N	89.1	Confident	92.6	Very high	62 Å²	62	34.5 Å²	34.5	33%	0.332	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	10.4	-176.3	-66.9	-41.2	0	0	0	115.4	D270 V291 L292 E350	D270-N272 PolarHBondContact O-N 2.9Å; N272-V291 HydrophobicContact CB-CG1 4.26Å; N272-L292 PolarHBondContact N-O 2.83Å; N272-E350 HydrophobicContact CB-CB 4.12Å; N272-E350 HydrophobicContact CB-CG 4.3Å; N272-E350 PolarHBondContact ND2-O 2.95Å
273	K	90.3	Very high	92.4	Very high	71 Å²	71	30.1 Å²	30.1	31%	0.309	16%	0.157	S	C	.	.			trans	-73.5	137	169.7	-56	-51.4	172.3	-159.6	0	111.5	L246 D270 H271 L292 E350	L246-K273 HydrophobicContact CD2-CB 3.69Å; L246-K273 HydrophobicContact CD2-CG 4.35Å; D270-K273 HydrophobicContact CB-CG 4.41Å; D270-K273 WeakPolarHBondContact O-CB 3.47Å; D270-K273 WeakPolarHBondContact O-CG 3.32Å; D270-K273 PolarHBondContact O-N 2.8Å; H271-K273 PolarHBondContact O-N 2.87Å; H271-K273 VanDerWaalsContact O-N 3.11Å; K273-L292 PolarHBondContact O-N 2.93Å; K273-E350 IonicContact NZ-OE2 3.17Å; K273-E350 PolarHBondContact NZ-OE2 2.97Å
274	K	91.9	Very high	92.1	Very high	99 Å²	99	30.5 Å²	30.5	43%	0.43	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.4	174.9	-171.3	-169.4	-177.3	-161.6	0	109.6	S276 E287 S289 L290	K274-S276 WeakPolarHBondContact CE-OG 3.33Å; K274-S276 PolarHBondContact NZ-OG 2.67Å; K274-E287 IonicContact NZ-OE1 2.67Å; K274-E287 PolarHBondContact NZ-OE1 3.06Å; K274-E287 IonicContact NZ-OE2 2.83Å; K274-E287 PolarHBondContact NZ-OE2 3.44Å; K274-S289 WeakPolarHBondContact CE-OG 3.46Å; K274-L290 WeakPolarHBondContact CA-O 3.44Å
275	I	94.6	Very high	91.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.4	163.3	-64.1	169.6	0	0	0	107.5	L228 W242 L246 L261 L263 S289 L290 L292	L228-I275 HydrophobicContact CD1-CD1 3.62Å; L228-I275 HydrophobicContact CD1-CG2 4.07Å; W242-I275 HydrophobicContact CE3-CG2 3.94Å; W242-I275 HydrophobicContact CZ3-CG2 3.77Å; L246-I275 HydrophobicContact CD1-CD1 3.91Å; L246-I275 HydrophobicContact CD1-CG1 4.09Å; L246-I275 HydrophobicContact CD2-CG1 4.37Å; L261-I275 HydrophobicContact CD2-CG2 3.83Å; L263-I275 HydrophobicContact CD1-CD1 3.84Å; I275-S289 CarbonylContact O-C 3.54Å; I275-S289 WeakPolarHBondContact O-CA 3.5Å; I275-S289 WeakPolarHBondContact O-CB 3.31Å; I275-L290 HydrophobicContact CB-CD1 4.33Å; I275-L290 HydrophobicContact CD1-CD1 4.34Å; I275-L290 PolarHBondContact N-O 3.33Å; I275-L290 PolarHBondContact O-N 3.17Å; I275-L292 HydrophobicContact CD1-CD1 3.89Å; I275-L292 HydrophobicContact CD1-CD2 3.88Å; I275-L292 HydrophobicContact CD1-CG 3.85Å; I275-L292 HydrophobicContact CG1-CD1 4.49Å; I275-L292 HydrophobicContact CG1-CG 4.44Å
276	S	94.2	Very high	91.8	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137	176.7	-69.4	0	0	0	0	111.7	W242 N243 K274 E287 S289	W242-S276 WeakPolarHBondContact CA-O 3.39Å; N243-S276 PolarHBondContact N-O 2.88Å; N243-S276 WeakPolarHBondContact O-CB 3.27Å; N243-S276 PolarHBondContact O-N 2.89Å; K274-S276 WeakPolarHBondContact CE-OG 3.33Å; K274-S276 PolarHBondContact NZ-OG 2.67Å; S276-E287 WeakPolarHBondContact CB-OE1 3.27Å; S276-E287 PolarHBondContact OG-OE1 3.5Å; S276-S289 WeakPolarHBondContact OG-CB 3.43Å
277	C	94.8	Very high	91.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.4	158.3	-177.2	0	0	0	0	109.2	C230 W242 E287 S288	C230-C277 HydrophobicContact CB-CB 3.6Å; C230-C277 WeakPolarHBondContact CB-SG 3.39Å; C230-C277 WeakPolarHBondContact SG-CB 3.33Å; C230-C277 CovalentContact SG-SG 2.02Å; C230-C277 PolarHBondContact SG-SG 2.76Å; W242-C277 HydrophobicContact CD2-CB 4.37Å; W242-C277 HydrophobicContact CE3-CB 3.96Å; W242-C277 HydrophobicContact CH2-CB 4.29Å; W242-C277 HydrophobicContact CZ3-CB 3.92Å; C277-E287 CarbonylContact O-C 3.59Å; C277-E287 WeakPolarHBondContact O-CA 3.24Å; C277-S288 PolarHBondContact N-O 3Å; C277-S288 PolarHBondContact O-N 3.41Å
278	M	93	Very high	91.8	Very high	26 Å²	26	37.1 Å²	37.1	13%	0.128	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.2	-179.6	178.7	-178	-75.4	0	0	109.7	K150 L240 I241 R286	K150-M278 PolarHBondContact NZ-SD 2.69Å; K150-M278 VanDerWaalsContact NZ-SD 3.38Å; L240-M278 WeakPolarHBondContact CA-O 3.14Å; I241-M278 HydrophobicContact CB-CB 4.36Å; I241-M278 PolarHBondContact N-O 2.82Å; I241-M278 PolarHBondContact O-N 3.08Å; M278-R286 CarbonylContact C-O 3.52Å; M278-R286 WeakPolarHBondContact CA-O 3.44Å
279	A	94.5	Very high	92	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	123.2	171.3	0	0	0	0	0	108.8	P209 A211 T232 P238 E239 E285 R286	P209-A279 HydrophobicContact CB-CB 3.99Å; P209-A279 VanDerWaalsContact CG-O 3.3Å; P209-A279 WeakPolarHBondContact CG-O 3.42Å; A211-A279 HydrophobicContact CB-CB 4.01Å; T232-A279 HydrophobicContact CG2-CB 3.67Å; P238-A279 HydrophobicContact CB-CB 4.07Å; P238-A279 HydrophobicContact CG-CB 4.38Å; E239-A279 WeakPolarHBondContact O-CA 3.32Å; A279-E285 CarbonylContact O-C 3.5Å; A279-E285 VanDerWaalsContact O-CA 3.26Å; A279-E285 WeakPolarHBondContact O-CA 3.2Å; A279-R286 PolarHBondContact N-O 3.03Å; A279-R286 PolarHBondContact O-N 3.15Å
280	E	92.6	Very high	92.2	Very high	16 Å²	16	35.1 Å²	35.1	8%	0.075	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.9	177.6	68.1	158.1	-99.1	0	0	113.3	W146 R147 K150 P238 E239 I241 E285	W146-E280 HydrophobicContact CH2-CB 4.12Å; W146-E280 HydrophobicContact CZ2-CB 4.02Å; R147-E280 IonicContact CZ-OE1 3.46Å; R147-E280 IonicContact NE-OE1 3.06Å; R147-E280 PolarHBondContact NE-OE1 3.43Å; R147-E280 IonicContact NH2-OE1 3.75Å; R147-E280 PolarHBondContact NH2-OE1 3.48Å; K150-E280 IonicContact NZ-OE2 3.27Å; K150-E280 PolarHBondContact NZ-OE2 2.83Å; P238-E280 CarbonylContact C-O 3.59Å; P238-E280 WeakPolarHBondContact CA-O 3.18Å; P238-E280 WeakPolarHBondContact CB-O 3.35Å; E239-E280 HydrophobicContact CB-CG 4.26Å; E239-E280 PolarHBondContact N-O 3.21Å; E239-E280 PolarHBondContact O-N 3.39Å; I241-E280 HydrophobicContact CD1-CG 3.97Å; E280-E285 HydrophobicContact CB-CB 3.88Å
281	N	92.6	Very high	92.3	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.027	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	-172.4	171.2	77.1	10.9	0	0	0	110.6	W146 E207 P209 P236 P238 V283 G284	W146-N281 PolarHBondContact NE1-O 2.86Å; E207-N281 PolarHBondContact O-ND2 3.07Å; P209-N281 WeakPolarHBondContact CD-OD1 3.16Å; P236-N281 WeakPolarHBondContact O-CB 3.34Å; P236-N281 PolarHBondContact O-ND2 3.13Å; P238-N281 HydrophobicContact CB-CB 4.24Å; N281-V283 PolarHBondContact O-N 3.02Å; N281-V283 WeakPolarHBondContact OD1-CA 3.47Å; N281-V283 VanDerWaalsContact OD1-CB 3.31Å; N281-V283 WeakPolarHBondContact OD1-CB 3.32Å; N281-V283 PolarHBondContact OD1-N 2.88Å; N281-G284 PolarHBondContact N-O 3.31Å; N281-G284 PolarHBondContact O-N 2.81Å; N281-G284 PolarHBondContact OD1-N 2.7Å
282	I	89.8	Confident	92.3	Very high	54 Å²	54	37.6 Å²	37.6	28%	0.277	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-13.2	-178.7	63.1	177.9	0	0	0	114.8	C168 E169 P236	C168-I282 HydrophobicContact CB-CD1 3.72Å; C168-I282 HydrophobicContact CB-CG1 4.43Å; E169-I282 HydrophobicContact CG-CD1 4.23Å; P236-I282 HydrophobicContact CG-CD1 3.78Å; P236-I282 HydrophobicContact CG-CG1 3.93Å
283	V	90.9	Very high	92.5	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.024	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-23.8	179.4	-174.1	0	0	0	0	111.8	M171 W172 L175 C206 V208 N281	M171-V283 HydrophobicContact CB-CG1 4.08Å; M171-V283 HydrophobicContact CG-CG1 3.79Å; W172-V283 VanDerWaalsContact CB-O 3.29Å; W172-V283 WeakPolarHBondContact CB-O 3.4Å; L175-V283 HydrophobicContact CD1-CG1 3.69Å; C206-V283 HydrophobicContact CB-CG2 4.28Å; V208-V283 HydrophobicContact CG2-CG1 4.03Å; N281-V283 PolarHBondContact O-N 3.02Å; N281-V283 WeakPolarHBondContact OD1-CA 3.47Å; N281-V283 VanDerWaalsContact OD1-CB 3.31Å; N281-V283 WeakPolarHBondContact OD1-CB 3.32Å; N281-V283 PolarHBondContact OD1-N 2.88Å
284	G	89	Confident	92.7	Very high	10 Å²	10	32.8 Å²	32.8	10%	0.103	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.1	-161.8	175.8	0	0	0	0	0	112.7	P209 N281	P209-G284 WeakPolarHBondContact CD-O 3.32Å; P209-G284 VanDerWaalsContact CG-O 3.29Å; P209-G284 WeakPolarHBondContact CG-O 3.48Å; N281-G284 PolarHBondContact N-O 3.31Å; N281-G284 PolarHBondContact O-N 2.81Å; N281-G284 PolarHBondContact OD1-N 2.7Å
285	E	90.4	Very high	92.8	Very high	56 Å²	56	29 Å²	29	26%	0.262	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	157.8	177.2	62.8	177.5	-150.5	0	0	113.2	W146 K150 A279 E280	W146-E285 HydrophobicContact CH2-CB 3.8Å; W146-E285 HydrophobicContact CH2-CG 3.89Å; W146-E285 WeakPolarHBondContact CH2-OE2 3.36Å; W146-E285 HydrophobicContact CZ2-CB 4.28Å; W146-E285 HydrophobicContact CZ3-CB 4.37Å; W146-E285 HydrophobicContact CZ3-CG 3.95Å; W146-E285 WeakPolarHBondContact CZ3-OE2 3.32Å; K150-E285 VanDerWaalsContact CE-OE2 3.24Å; K150-E285 WeakPolarHBondContact CE-OE2 3.47Å; K150-E285 IonicContact NZ-OE2 3.9Å; K150-E285 PolarHBondContact NZ-OE2 3.18Å; A279-E285 CarbonylContact O-C 3.5Å; A279-E285 VanDerWaalsContact O-CA 3.26Å; A279-E285 WeakPolarHBondContact O-CA 3.2Å; E280-E285 HydrophobicContact CB-CB 3.88Å
286	R	91.4	Very high	92.9	Very high	144 Å²	144	29.5 Å²	29.5	54%	0.543	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144.6	167	-73.5	-62.5	-180	-97.5	10.6	111.2	V208 P209 M278 A279	V208-R286 HydrophobicContact CG1-CG 4.08Å; P209-R286 WeakPolarHBondContact O-CB 3.2Å; P209-R286 WeakPolarHBondContact O-CG 3.43Å; M278-R286 CarbonylContact C-O 3.52Å; M278-R286 WeakPolarHBondContact CA-O 3.44Å; A279-R286 PolarHBondContact N-O 3.03Å; A279-R286 PolarHBondContact O-N 3.15Å
287	E	92.6	Very high	92.9	Very high	80 Å²	80	31.4 Å²	31.4	37%	0.374	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	142.3	175.6	-166.7	-160.6	-130.7	0	0	109.8	K274 S276 C277	K274-E287 IonicContact NZ-OE1 2.67Å; K274-E287 PolarHBondContact NZ-OE1 3.06Å; K274-E287 IonicContact NZ-OE2 2.83Å; K274-E287 PolarHBondContact NZ-OE2 3.44Å; S276-E287 WeakPolarHBondContact CB-OE1 3.27Å; S276-E287 PolarHBondContact OG-OE1 3.5Å; C277-E287 CarbonylContact O-C 3.59Å; C277-E287 WeakPolarHBondContact O-CA 3.24Å
288	S	94.3	Very high	93	Very high	31 Å²	31	31.7 Å²	31.7	22%	0.217	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	131.5	165.3	-173.1	0	0	0	0	107.7	A211 L213 C277	A211-S288 WeakPolarHBondContact O-CB 3.47Å; L213-S288 PolarHBondContact N-OG 2.8Å; L213-S288 VanDerWaalsContact N-OG 3.14Å; C277-S288 PolarHBondContact N-O 3Å; C277-S288 PolarHBondContact O-N 3.41Å
289	S	94.8	Very high	93	Very high	52 Å²	52	36 Å²	36	36%	0.364	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	158.4	-170.2	56.7	0	0	0	0	113.3	K274 I275 S276	K274-S289 WeakPolarHBondContact CE-OG 3.46Å; I275-S289 CarbonylContact O-C 3.54Å; I275-S289 WeakPolarHBondContact O-CA 3.5Å; I275-S289 WeakPolarHBondContact O-CB 3.31Å; S276-S289 WeakPolarHBondContact OG-CB 3.43Å
290	L	93.7	Very high	93.1	Very high	7 Å²	7	36 Å²	36	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	166.2	173.6	67.1	81.3	0	0	0	110.4	L213 P215 S216 V218 L228 K274 I275 L292	L213-L290 HydrophobicContact CD2-CB 4.21Å; L213-L290 HydrophobicContact CD2-CD2 3.66Å; L213-L290 HydrophobicContact CD2-CG 3.73Å; L213-L290 HydrophobicContact CG-CD2 3.99Å; P215-L290 WeakPolarHBondContact O-CD2 3.35Å; S216-L290 WeakPolarHBondContact O-CB 3.21Å; V218-L290 HydrophobicContact CG2-CD2 4.25Å; L228-L290 HydrophobicContact CD1-CD2 4.03Å; L228-L290 HydrophobicContact CD2-CD2 3.67Å; L228-L290 HydrophobicContact CG-CD2 4.49Å; K274-L290 WeakPolarHBondContact CA-O 3.44Å; I275-L290 HydrophobicContact CB-CD1 4.33Å; I275-L290 HydrophobicContact CD1-CD1 4.34Å; I275-L290 PolarHBondContact N-O 3.33Å; I275-L290 PolarHBondContact O-N 3.17Å; L290-L292 HydrophobicContact CD1-CD2 4.07Å; L290-L292 HydrophobicContact CD1-CG 4.46Å
291	V	92.4	Very high	93.1	Very high	70 Å²	70	37.8 Å²	37.8	42%	0.424	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.3	174.9	177.5	0	0	0	0	109	N272 D293	N272-V291 HydrophobicContact CB-CG1 4.26Å; V291-D293 PolarHBondContact O-N 3.5Å
292	L	92.4	Very high	93	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	111.2	-179.8	-73.6	-178.9	0	0	0	112.4	V218 L246 L263 D270 H271 N272 K273 I275 L290 I294	V218-L292 HydrophobicContact CB-CD2 4.34Å; V218-L292 HydrophobicContact CG1-CD2 4.25Å; L246-L292 HydrophobicContact CD1-CD1 4.2Å; L246-L292 HydrophobicContact CD2-CD1 3.99Å; L263-L292 HydrophobicContact CD1-CD1 4.32Å; L263-L292 HydrophobicContact CD1-CD2 4.24Å; D270-L292 HydrophobicContact CB-CD1 4.11Å; D270-L292 WeakPolarHBondContact O-CB 3.4Å; H271-L292 PolarHBondContact ND1-O 3.25Å; N272-L292 PolarHBondContact N-O 2.83Å; K273-L292 PolarHBondContact O-N 2.93Å; I275-L292 HydrophobicContact CD1-CD1 3.89Å; I275-L292 HydrophobicContact CD1-CD2 3.88Å; I275-L292 HydrophobicContact CD1-CG 3.85Å; I275-L292 HydrophobicContact CG1-CD1 4.49Å; I275-L292 HydrophobicContact CG1-CG 4.44Å; L290-L292 HydrophobicContact CD1-CD2 4.07Å; L290-L292 HydrophobicContact CD1-CG 4.46Å; L292-I294 HydrophobicContact CB-CD1 4.24Å; L292-I294 HydrophobicContact CB-CG1 4.12Å; L292-I294 HydrophobicContact CD1-CD1 4.21Å; L292-I294 PolarHBondContact O-N 3Å
293	D	93.1	Very high	93.3	Very high	30 Å²	30	41.5 Å²	41.5	16%	0.16	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	95.2	171.5	179.9	9.1	0	0	0	108.7	K217 V218 T219 K220 H271 V291 N321	K217-D293 WeakPolarHBondContact CE-OD2 3.38Å; K217-D293 IonicContact NZ-OD2 3.02Å; K217-D293 PolarHBondContact NZ-OD2 3.12Å; V218-D293 VanDerWaalsContact O-CB 3.31Å; V218-D293 WeakPolarHBondContact O-CB 3.45Å; V218-D293 PolarHBondContact O-N 3.28Å; V218-D293 VanDerWaalsContact O-N 3.08Å; T219-D293 CarbonylContact C-O 3.43Å; T219-D293 VanDerWaalsContact CA-O 3.25Å; T219-D293 WeakPolarHBondContact CA-O 3.34Å; T219-D293 HydrophobicContact CG2-CB 4.41Å; T219-D293 WeakPolarHBondContact CG2-OD2 3.28Å; T219-D293 PolarHBondContact OG1-OD2 2.88Å; K220-D293 PolarHBondContact N-O 3.29Å; H271-D293 IonicContact CE1-OD1 2.62Å; V291-D293 PolarHBondContact O-N 3.5Å; D293-N321 PolarHBondContact OD1-ND2 3.07Å
294	I	94.1	Very high	93.3	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.5	-175.6	-54.4	178.3	0	0	0	108.5	K220 E222 L266 S267 D270 H271 L292 F296 N321	K220-I294 CarbonylContact O-C 3.53Å; K220-I294 WeakPolarHBondContact O-CA 3.5Å; E222-I294 HydrophobicContact CB-CG2 4.42Å; L266-I294 HydrophobicContact CB-CD1 4.41Å; L266-I294 HydrophobicContact CD2-CD1 3.99Å; S267-I294 WeakPolarHBondContact O-CD1 3.45Å; D270-I294 HydrophobicContact CB-CD1 3.81Å; H271-I294 HydrophobicContact CB-CB 4.25Å; H271-I294 PolarHBondContact ND1-N 3.07Å; L292-I294 HydrophobicContact CB-CD1 4.24Å; L292-I294 HydrophobicContact CB-CG1 4.12Å; L292-I294 HydrophobicContact CD1-CD1 4.21Å; L292-I294 PolarHBondContact O-N 3Å; I294-F296 VanDerWaalsContact O-CD1 3.29Å; I294-F296 WeakPolarHBondContact O-CD1 3.21Å; I294-N321 WeakPolarHBondContact O-CB 3.21Å; I294-N321 PolarHBondContact O-ND2 2.86Å
295	L	94.8	Very high	93.3	Very high	19 Å²	19	47.4 Å²	47.4	10%	0.099	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.9	-170.3	-68.8	159.3	0	0	0	110.3	T219 K220 M221 E222 N321 Y378	T219-L295 HydrophobicContact CG2-CD1 3.41Å; T219-L295 VanDerWaalsContact CG2-CD1 3.41Å; T219-L295 HydrophobicContact CG2-CG 4.21Å; K220-L295 WeakPolarHBondContact O-CB 3.45Å; K220-L295 PolarHBondContact O-N 2.95Å; M221-L295 CarbonylContact C-O 3.39Å; M221-L295 WeakPolarHBondContact CA-O 3.47Å; M221-L295 HydrophobicContact CE-CB 4.15Å; M221-L295 VanDerWaalsContact CE-O 3.3Å; M221-L295 WeakPolarHBondContact CE-O 3.09Å; M221-L295 HydrophobicContact SD-CB 3.59Å; M221-L295 VanDerWaalsContact SD-CB 3.59Å; M221-L295 HydrophobicContact SD-CD1 4.27Å; E222-L295 PolarHBondContact N-O 3.29Å; L295-N321 CarbonylContact C-O 3.59Å; L295-N321 WeakPolarHBondContact CA-O 3.36Å; L295-Y378 HydrophobicContact CB-CE2 3.68Å; L295-Y378 WeakPolarHBondContact CD1-OH 3.42Å; L295-Y378 HydrophobicContact CD2-CE2 3.94Å; L295-Y378 HydrophobicContact CG-CE2 4.31Å
296	F	94.9	Very high	93.2	Very high	10 Å²	10	45.7 Å²	45.7	4%	0.044	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	157.7	-173.2	56.8	-79.4	0	0	0	112.7	E222 H271 I294 A319 A320 N321 R351 N376	E222-F296 HydrophobicContact CB-CB 4.19Å; H271-F296 HydrophobicContact CB-CE1 4.35Å; I294-F296 VanDerWaalsContact O-CD1 3.29Å; I294-F296 WeakPolarHBondContact O-CD1 3.21Å; F296-A319 HydrophobicContact CE2-CB 4.07Å; F296-A320 VanDerWaalsContact CE2-CA 3.47Å; F296-N321 HydrophobicContact CD1-CB 3.98Å; F296-N321 HydrophobicContact CE1-CB 3.61Å; F296-N321 HydrophobicContact CZ-CB 4.27Å; F296-N321 PolarHBondContact N-O 2.91Å; F296-R351 HydrophobicContact CZ-CB 4.33Å; F296-N376 PolarHBondContact O-ND2 2.81Å
297	A	95.3	Very high	92.9	Very high	43 Å²	43	43.1 Å²	43.1	36%	0.355	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	152.1	172.5	0	0	0	0	0	110.6
298	P	95.8	Very high	92.1	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.039	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	150.4	-179	33.9	-36.7	0	0	0	110.9	V318 A319 A320 P324 V374 G379 D381	P298-V318 HydrophobicContact CB-CG1 4.29Å; P298-A319 CarbonylContact C-O 3.55Å; P298-A319 VanDerWaalsContact CA-O 3.27Å; P298-A319 WeakPolarHBondContact CA-O 3.41Å; P298-A320 HydrophobicContact CB-CB 3.92Å; P298-P324 HydrophobicContact CB-CB 4.17Å; P298-V374 HydrophobicContact CB-CB 4.39Å; P298-V374 HydrophobicContact CB-CG2 3.86Å; P298-V374 HydrophobicContact CG-CG2 4.1Å; P298-G379 VanDerWaalsContact CD-O 3.22Å; P298-G379 WeakPolarHBondContact CD-O 3.48Å; P298-D381 WeakPolarHBondContact O-CB 3.35Å
299	Q	94.7	Very high	90.1	Very high	116 Å²	116	45 Å²	45	54%	0.542	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	126.1	174.8	-174.2	179.9	37.1	0	0	110.1	T301 V318 A319 D381	Q299-T301 PolarHBondContact O-N 2.77Å; Q299-T301 VanDerWaalsContact O-N 3.08Å; Q299-V318 CarbonylContact O-C 3.54Å; Q299-V318 WeakPolarHBondContact O-CA 3.37Å; Q299-A319 PolarHBondContact N-O 2.78Å; Q299-A319 PolarHBondContact O-N 2.78Å; Q299-D381 WeakPolarHBondContact CA-OD2 3.19Å
300	I	95.7	Very high	88.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	94.9	176.3	-55.2	166.9	0	0	0	107.8	K302 L303 S317 V318 L372 V374 D381 K383	I300-K302 WeakPolarHBondContact CG2-O 3.38Å; I300-L303 HydrophobicContact CG2-CB 4.28Å; I300-S317 CarbonylContact C-O 3.47Å; I300-S317 WeakPolarHBondContact CA-O 3.47Å; I300-V318 HydrophobicContact CG1-CG2 4.17Å; I300-L372 HydrophobicContact CD1-CB 4.34Å; I300-L372 HydrophobicContact CD1-CD2 4.04Å; I300-L372 HydrophobicContact CD1-CG 3.85Å; I300-L372 HydrophobicContact CG1-CD2 4.23Å; I300-L372 HydrophobicContact CG1-CG 4.44Å; I300-L372 HydrophobicContact CG2-CD2 3.94Å; I300-V374 HydrophobicContact CD1-CG2 4.04Å; I300-V374 HydrophobicContact CG1-CG1 4.35Å; I300-V374 HydrophobicContact CG1-CG2 3.57Å; I300-D381 HydrophobicContact CG1-CB 4.39Å; I300-D381 PolarHBondContact N-OD2 2.8Å; I300-K383 HydrophobicContact CB-CD 3.95Å; I300-K383 HydrophobicContact CB-CG 4.22Å; I300-K383 HydrophobicContact CD1-CB 3.96Å; I300-K383 HydrophobicContact CD1-CG 4.01Å; I300-K383 HydrophobicContact CG2-CB 4.42Å; I300-K383 HydrophobicContact CG2-CD 3.85Å; I300-K383 HydrophobicContact CG2-CG 4.32Å; I300-K383 WeakPolarHBondContact O-CE 3.45Å; I300-K383 PolarHBondContact O-NZ 3.37Å
301	T	92	Very high	87.4	Confident	55 Å²	55	52.4 Å²	52.4	34%	0.337	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-31.1	-179.3	53.8	0	0	0	0	111.9	Q299 S317 A319 E352	Q299-T301 PolarHBondContact O-N 2.77Å; Q299-T301 VanDerWaalsContact O-N 3.08Å; T301-S317 PolarHBondContact N-O 2.97Å; T301-S317 WeakPolarHBondContact OG1-CB 3.46Å; T301-S317 PolarHBondContact OG1-O 3.45Å; T301-A319 HydrophobicContact CG2-CB 3.89Å; T301-E352 WeakPolarHBondContact CG2-OE1 3.09Å; T301-E352 PolarHBondContact OG1-OE2 3.41Å
302	K	91.9	Very high	87.1	Confident	106 Å²	106	52.4 Å²	52.4	46%	0.461	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	139.2	175.1	-171.6	-176.7	176	-167	0	111.4	I300 S304 F316 S317	I300-K302 WeakPolarHBondContact CG2-O 3.38Å; K302-S304 VanDerWaalsContact CE-OG 3.25Å; K302-S304 WeakPolarHBondContact CE-OG 3.17Å; K302-F316 CarbonylContact O-C 3.49Å; K302-F316 VanDerWaalsContact O-CA 3.23Å; K302-F316 WeakPolarHBondContact O-CA 3.43Å; K302-S317 PolarHBondContact N-O 3.21Å; K302-S317 VanDerWaalsContact N-O 3.16Å; K302-S317 PolarHBondContact O-N 2.62Å
303	L	95.2	Very high	87	Confident	31 Å²	31	53.4 Å²	53.4	16%	0.162	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	137.4	157.7	-177.6	63.7	0	0	0	105.6	I300 I314 F316 W328 L372 K383 I385	I300-L303 HydrophobicContact CG2-CB 4.28Å; L303-I314 HydrophobicContact CD1-CG2 3.91Å; L303-F316 HydrophobicContact CD1-CB 4.12Å; L303-W328 HydrophobicContact CD1-CH2 3.8Å; L303-W328 HydrophobicContact CD1-CZ3 4.21Å; L303-L372 HydrophobicContact CD1-CD2 4.24Å; L303-L372 HydrophobicContact CD2-CB 4.4Å; L303-K383 HydrophobicContact CB-CB 4.46Å; L303-K383 HydrophobicContact CD2-CB 3.72Å; L303-I385 HydrophobicContact CD1-CG2 4.07Å; L303-I385 HydrophobicContact CD2-CB 3.88Å; L303-I385 HydrophobicContact CD2-CG2 3.84Å; L303-I385 HydrophobicContact CG-CB 3.99Å; L303-I385 HydrophobicContact CG-CG2 3.88Å
304	S	90.7	Very high	87	Confident	27 Å²	27	52 Å²	52	19%	0.189	28%	0.28	C	S	.	.			trans	-144.4	162.4	-171.7	40.6	0	0	0	0	112.5	K302 P315	K302-S304 VanDerWaalsContact CE-OG 3.25Å; K302-S304 WeakPolarHBondContact CE-OG 3.17Å; S304-P315 PolarHBondContact N-O 2.93Å; S304-P315 VanDerWaalsContact N-O 3.13Å; S304-P315 PolarHBondContact OG-O 3.48Å; S304-P315 VanDerWaalsContact OG-O 3.1Å
305	D	89.1	Confident	86.9	Confident	110 Å²	110	52.8 Å²	52.8	59%	0.588	29%	0.285	S	S	*	.			trans	-52.5	154.3	179.3	-57.6	-64.3	0	0	0	113.1	I307 P315	D305-I307 PolarHBondContact O-N 3.14Å; D305-P315 WeakPolarHBondContact O-CD 3.2Å
306	A	88	Confident	86.9	Confident	21 Å²	21	52 Å²	52	17%	0.174	28%	0.281	C	S	.	.			trans	-67	123.9	179.7	0	0	0	0	0	111.3	W312 C313 I314 A387 F389	A306-W312 HydrophobicContact CB-CE3 3.83Å; A306-W312 HydrophobicContact CB-CZ3 4.03Å; A306-W312 WeakPolarHBondContact O-CZ3 3.26Å; A306-C313 CarbonylContact C-O 3.36Å; A306-C313 VanDerWaalsContact CA-O 3.28Å; A306-C313 WeakPolarHBondContact CA-O 3.16Å; A306-I314 HydrophobicContact CB-CG1 4.04Å; A306-A387 HydrophobicContact CB-CB 4.14Å; A306-F389 HydrophobicContact CB-CE1 3.84Å; A306-F389 HydrophobicContact CB-CZ 4.35Å
307	I	85.4	Confident	86.9	Confident	89 Å²	89	52.3 Å²	52.3	46%	0.456	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	155.8	174.8	65.1	176.9	0	0	0	110.4	D305 W312 C313 P315	D305-I307 PolarHBondContact O-N 3.14Å; I307-W312 CarbonylContact O-C 3.56Å; I307-W312 WeakPolarHBondContact O-CA 3.2Å; I307-C313 HydrophobicContact CG1-CB 3.87Å; I307-C313 PolarHBondContact N-O 3.26Å; I307-C313 PolarHBondContact O-N 3.13Å; I307-P315 HydrophobicContact CD1-CG 3.85Å; I307-P315 HydrophobicContact CG1-CG 4.01Å
308	A	76.6	Confident	86.9	Confident	71 Å²	71	50.2 Å²	50.2	59%	0.587	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	111.2	174.8	0	0	0	0	0	110.3	W312	A308-W312 HydrophobicContact CB-CD2 4.03Å; A308-W312 HydrophobicContact CB-CE3 4.29Å; A308-W312 HydrophobicContact CB-CG 4.49Å; A308-W312 HydrophobicContact CB-CZ2 4.44Å
309	D	52.6	Low	86.8	Confident	79 Å²	79	50 Å²	50	42%	0.422	27%	0.266	S	S	.	.	S	Bend	trans	-137.9	95.1	169.8	-170.5	16.2	0	0	0	109.9	H311 K529	D309-H311 CarbonylContact C-O 3.53Å; D309-H311 PolarHBondContact N-O 3.36Å; D309-H311 PolarHBondContact O-N 3.35Å; D309-K529 IonicContact OD1-NZ 2.69Å; D309-K529 PolarHBondContact OD1-NZ 3.03Å; D309-K529 IonicContact OD2-NZ 2.97Å; D309-K529 PolarHBondContact OD2-NZ 3.26Å
310	H	55.1	Low	86.7	Confident	140 Å²	140	44.7 Å²	44.7	65%	0.648	24%	0.241	S	C	*	.	S	Bend	trans	57.5	-57.3	-162.3	-73.4	-34.3	0	0	0	115.2
311	H	76.8	Confident	86.6	Confident	76 Å²	76	45.7 Å²	45.7	35%	0.352	25%	0.247	S	C	.	.	S	Bend	trans	-101.1	170.6	166.2	-52.6	99.1	0	0	0	109.1	D309 Q358 D360	D309-H311 CarbonylContact C-O 3.53Å; D309-H311 PolarHBondContact N-O 3.36Å; D309-H311 PolarHBondContact O-N 3.35Å; H311-Q358 HydrophobicContact CB-CG 3.77Å; H311-Q358 PolarHBondContact ND1-NE2 3.02Å; H311-Q358 VanDerWaalsContact ND1-NE2 3.19Å; H311-D360 IonicContact CD2-OD1 2.86Å
312	W	85	Confident	86.6	Confident	70 Å²	70	44.8 Å²	44.8	27%	0.265	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	148	166.2	-78.3	81.3	0	0	0	110.5	A306 I307 A308 Q358 L359 P362 F389	A306-W312 HydrophobicContact CB-CE3 3.83Å; A306-W312 HydrophobicContact CB-CZ3 4.03Å; A306-W312 WeakPolarHBondContact O-CZ3 3.26Å; I307-W312 CarbonylContact O-C 3.56Å; I307-W312 WeakPolarHBondContact O-CA 3.2Å; A308-W312 HydrophobicContact CB-CD2 4.03Å; A308-W312 HydrophobicContact CB-CE3 4.29Å; A308-W312 HydrophobicContact CB-CG 4.49Å; A308-W312 HydrophobicContact CB-CZ2 4.44Å; W312-Q358 CarbonylContact O-C 3.6Å; W312-Q358 WeakPolarHBondContact O-CA 3.19Å; W312-L359 HydrophobicContact CB-CB 4.38Å; W312-L359 PolarHBondContact N-O 2.84Å; W312-L359 PolarHBondContact O-N 3.47Å; W312-P362 HydrophobicContact CB-CG 3.73Å; W312-P362 VanDerWaalsContact CD1-CG 3.45Å; W312-P362 HydrophobicContact CD2-CG 4.46Å; W312-P362 HydrophobicContact CG-CG 3.62Å; W312-F389 HydrophobicContact CB-CD1 3.95Å; W312-F389 HydrophobicContact CB-CE1 3.87Å; W312-F389 AromaticContact CD2-CD1 3.52Å; W312-F389 HydrophobicContact CD2-CD1 3.52Å; W312-F389 HydrophobicContact CD2-CE1 4.12Å; W312-F389 AromaticContact CE3-CD1 3.59Å; W312-F389 HydrophobicContact CE3-CD1 3.59Å; W312-F389 AromaticContact CE3-CE1 3.96Å; W312-F389 HydrophobicContact CE3-CE1 3.96Å; W312-F389 AromaticContact CG-CD1 3.73Å; W312-F389 HydrophobicContact CG-CD1 3.73Å; W312-F389 HydrophobicContact CG-CE1 4.15Å; W312-F389 HydrophobicContact CZ2-CB 4.49Å; W312-F389 WeakPolarHBondContact CZ2-O 3.06Å; W312-F389 HydrophobicContact CZ3-CD1 4.13Å
313	C	89.8	Confident	86.6	Confident	21 Å²	21	46.5 Å²	46.5	14%	0.142	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	127.8	-173.7	179.2	0	0	0	0	110.9	A306 I307 P315 C356 L357	A306-C313 CarbonylContact C-O 3.36Å; A306-C313 VanDerWaalsContact CA-O 3.28Å; A306-C313 WeakPolarHBondContact CA-O 3.16Å; I307-C313 HydrophobicContact CG1-CB 3.87Å; I307-C313 PolarHBondContact N-O 3.26Å; I307-C313 PolarHBondContact O-N 3.13Å; C313-P315 WeakPolarHBondContact O-CD 3.24Å; C313-C356 WeakPolarHBondContact CA-SG 3.25Å; C313-C356 HydrophobicContact CB-CB 4.44Å; C313-C356 WeakPolarHBondContact CB-SG 3.37Å; C313-C356 WeakPolarHBondContact SG-CB 3.39Å; C313-C356 CovalentContact SG-SG 2.02Å; C313-C356 PolarHBondContact SG-SG 3.32Å; C313-L357 WeakPolarHBondContact CA-O 3.43Å
314	I	93.1	Very high	86.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	103	164.9	-58.5	175.4	0	0	0	107.4	L303 A306 W328 C356 L357 L359 Y370 I385 A387 F389	L303-I314 HydrophobicContact CD1-CG2 3.91Å; A306-I314 HydrophobicContact CB-CG1 4.04Å; I314-W328 HydrophobicContact CG2-CH2 4.04Å; I314-W328 HydrophobicContact CG2-CZ3 4.3Å; I314-C356 WeakPolarHBondContact O-CA 3.28Å; I314-L357 HydrophobicContact CB-CB 4.24Å; I314-L357 HydrophobicContact CD1-CD2 4.4Å; I314-L357 PolarHBondContact N-O 2.92Å; I314-L357 PolarHBondContact O-N 3.25Å; I314-L359 HydrophobicContact CD1-CD1 4.4Å; I314-L359 HydrophobicContact CG1-CD1 4.42Å; I314-Y370 HydrophobicContact CD1-CD1 3.75Å; I314-Y370 HydrophobicContact CD1-CD2 3.96Å; I314-Y370 HydrophobicContact CD1-CE1 4.12Å; I314-Y370 HydrophobicContact CD1-CE2 4.33Å; I314-Y370 HydrophobicContact CD1-CG 3.66Å; I314-I385 HydrophobicContact CG2-CG2 3.75Å; I314-A387 HydrophobicContact CD1-CB 3.74Å; I314-A387 HydrophobicContact CG1-CB 4.33Å; I314-F389 HydrophobicContact CD1-CZ 4.41Å
315	P	93	Very high	86.7	Confident	19 Å²	19	51.8 Å²	51.8	12%	0.123	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	139.9	-171.2	-8.9	26.5	0	0	0	112.1	S304 D305 I307 C313	S304-P315 PolarHBondContact N-O 2.93Å; S304-P315 VanDerWaalsContact N-O 3.13Å; S304-P315 PolarHBondContact OG-O 3.48Å; S304-P315 VanDerWaalsContact OG-O 3.1Å; D305-P315 WeakPolarHBondContact O-CD 3.2Å; I307-P315 HydrophobicContact CD1-CG 3.85Å; I307-P315 HydrophobicContact CG1-CG 4.01Å; C313-P315 WeakPolarHBondContact O-CD 3.24Å
316	F	94.5	Very high	86.9	Confident	3 Å²	3	48.3 Å²	48.3	1%	0.013	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	158.3	177.5	69.7	-93.3	0	0	0	113.5	K302 L303 V318 I326 W328 T343 I345 G355 L372	K302-F316 CarbonylContact O-C 3.49Å; K302-F316 VanDerWaalsContact O-CA 3.23Å; K302-F316 WeakPolarHBondContact O-CA 3.43Å; L303-F316 HydrophobicContact CD1-CB 4.12Å; F316-V318 HydrophobicContact CD2-CG2 3.84Å; F316-V318 HydrophobicContact CE2-CG2 4.25Å; F316-I326 HydrophobicContact CE2-CD1 3.91Å; F316-I326 HydrophobicContact CZ-CD1 3.98Å; F316-W328 HydrophobicContact CD1-CH2 4.21Å; F316-W328 AromaticContact CD1-CZ2 3.57Å; F316-W328 HydrophobicContact CD1-CZ2 3.57Å; F316-W328 AromaticContact CE1-CZ2 3.81Å; F316-W328 HydrophobicContact CE1-CZ2 3.81Å; F316-W328 HydrophobicContact CG-CZ2 4.38Å; F316-T343 HydrophobicContact CE1-CG2 4.05Å; F316-T343 HydrophobicContact CZ-CG2 3.78Å; F316-I345 HydrophobicContact CE2-CD1 3.9Å; F316-I345 HydrophobicContact CZ-CD1 3.65Å; F316-G355 VanDerWaalsContact CD1-C 3.44Å; F316-G355 WeakPolarHBondContact CD1-O 3.27Å; F316-G355 PolarHBondContact N-O 2.72Å; F316-G355 PolarHBondContact O-N 3.43Å; F316-L372 HydrophobicContact CB-CD2 3.72Å; F316-L372 HydrophobicContact CD2-CD2 4.18Å; F316-L372 HydrophobicContact CG-CD2 3.94Å
317	S	94.1	Very high	87.3	Confident	15 Å²	15	49 Å²	49	11%	0.105	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.5	169.6	-58.3	0	0	0	0	109.3	I300 T301 K302 Y353 H354	I300-S317 CarbonylContact C-O 3.47Å; I300-S317 WeakPolarHBondContact CA-O 3.47Å; T301-S317 PolarHBondContact N-O 2.97Å; T301-S317 WeakPolarHBondContact OG1-CB 3.46Å; T301-S317 PolarHBondContact OG1-O 3.45Å; K302-S317 PolarHBondContact N-O 3.21Å; K302-S317 VanDerWaalsContact N-O 3.16Å; K302-S317 PolarHBondContact O-N 2.62Å; S317-Y353 CarbonylContact C-O 3.57Å; S317-Y353 WeakPolarHBondContact CA-O 3.09Å; S317-H354 WeakPolarHBondContact CB-ND1 3.24Å; S317-H354 PolarHBondContact OG-ND1 2.7Å
318	V	95	Very high	87.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	116.8	-177.8	175.4	0	0	0	0	109.9	P298 Q299 I300 F316 P324 E352 Y353 L372 V374	P298-V318 HydrophobicContact CB-CG1 4.29Å; Q299-V318 CarbonylContact O-C 3.54Å; Q299-V318 WeakPolarHBondContact O-CA 3.37Å; I300-V318 HydrophobicContact CG1-CG2 4.17Å; F316-V318 HydrophobicContact CD2-CG2 3.84Å; F316-V318 HydrophobicContact CE2-CG2 4.25Å; V318-P324 HydrophobicContact CG1-CB 4.43Å; V318-P324 HydrophobicContact CG1-CG 3.98Å; V318-E352 CarbonylContact O-C 3.53Å; V318-E352 VanDerWaalsContact O-CA 3.32Å; V318-E352 WeakPolarHBondContact O-CA 3.34Å; V318-Y353 PolarHBondContact N-O 3.2Å; V318-Y353 PolarHBondContact O-N 3.43Å; V318-L372 HydrophobicContact CG2-CD2 4.48Å; V318-V374 HydrophobicContact CG1-CB 4.29Å; V318-V374 HydrophobicContact CG1-CG1 4.28Å; V318-V374 HydrophobicContact CG1-CG2 4.06Å; V318-V374 HydrophobicContact CG2-CG1 3.86Å
319	A	93.8	Very high	88.7	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.4	171.2	0	0	0	0	0	110.4	F296 P298 Q299 T301 R351 E352	F296-A319 HydrophobicContact CE2-CB 4.07Å; P298-A319 CarbonylContact C-O 3.55Å; P298-A319 VanDerWaalsContact CA-O 3.27Å; P298-A319 WeakPolarHBondContact CA-O 3.41Å; Q299-A319 PolarHBondContact N-O 2.78Å; Q299-A319 PolarHBondContact O-N 2.78Å; T301-A319 HydrophobicContact CG2-CB 3.89Å; A319-R351 VanDerWaalsContact CA-O 3.28Å; A319-R351 WeakPolarHBondContact CA-O 3.39Å; A319-E352 HydrophobicContact CB-CG 3.89Å
320	A	93.2	Very high	90.6	Very high	4 Å²	4	42.6 Å²	42.6	3%	0.033	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	144	178.7	0	0	0	0	0	114	F296 P298 P324 R351 Y353	F296-A320 VanDerWaalsContact CE2-CA 3.47Å; P298-A320 HydrophobicContact CB-CB 3.92Å; A320-P324 HydrophobicContact CB-CB 4.07Å; A320-P324 HydrophobicContact CB-CG 3.87Å; A320-R351 PolarHBondContact N-O 2.66Å; A320-R351 VanDerWaalsContact N-O 3.07Å; A320-Y353 HydrophobicContact CB-CE2 4.42Å
321	N	93.5	Very high	92.3	Very high	22 Å²	22	40 Å²	40	12%	0.118	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	118	160.8	177.9	18.8	0	0	0	110.6	H271 D293 I294 L295 F296	H271-N321 PolarHBondContact CE1-ND2 2.92Å; H271-N321 PolarHBondContact NE2-ND2 2.96Å; D293-N321 PolarHBondContact OD1-ND2 3.07Å; I294-N321 WeakPolarHBondContact O-CB 3.21Å; I294-N321 PolarHBondContact O-ND2 2.86Å; L295-N321 CarbonylContact C-O 3.59Å; L295-N321 WeakPolarHBondContact CA-O 3.36Å; F296-N321 HydrophobicContact CD1-CB 3.98Å; F296-N321 HydrophobicContact CE1-CB 3.61Å; F296-N321 HydrophobicContact CZ-CB 4.27Å; F296-N321 PolarHBondContact N-O 2.91Å
322	P	92.6	Very high	92.9	Very high	35 Å²	35	42 Å²	42	23%	0.227	20%	0.2	C	C	.	.	S	Bend	cis	-74.5	175.4	3.1	34.6	-40.1	0	0	0	112.9	N376 K377 Y378	P322-N376 HydrophobicContact CG-CB 4.45Å; P322-N376 PolarHBondContact O-ND2 3.27Å; P322-K377 HydrophobicContact CG-CD 3.97Å; P322-K377 HydrophobicContact CG-CG 4.11Å; P322-Y378 VanDerWaalsContact CD-CE2 3.41Å; P322-Y378 HydrophobicContact CG-CE2 4.5Å
323	E	90.8	Very high	93.3	Very high	143 Å²	143	43.6 Å²	43.6	67%	0.668	22%	0.218	S	C	*	.			trans	-37	129.8	173.1	-173.9	170.2	-153.2	0	0	113.5	Y353	E323-Y353 WeakPolarHBondContact CA-OH 3.22Å; E323-Y353 WeakPolarHBondContact CB-OH 3.36Å; E323-Y353 HydrophobicContact CG-CE1 4.12Å
324	P	93.8	Very high	93.4	Very high	12 Å²	12	47.5 Å²	47.5	8%	0.078	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-88	139.6	-179.3	34.6	-31	0	0	0	111.2	P298 V318 A320 Y353 V374 Q375	P298-P324 HydrophobicContact CB-CB 4.17Å; V318-P324 HydrophobicContact CG1-CB 4.43Å; V318-P324 HydrophobicContact CG1-CG 3.98Å; A320-P324 HydrophobicContact CB-CB 4.07Å; A320-P324 HydrophobicContact CB-CG 3.87Å; P324-Y353 VanDerWaalsContact CD-CE2 3.47Å; P324-Y353 HydrophobicContact CG-CD2 4.11Å; P324-Y353 HydrophobicContact CG-CE2 4.28Å; P324-V374 HydrophobicContact CB-CB 4.49Å; P324-Q375 CarbonylContact C-O 3.5Å; P324-Q375 WeakPolarHBondContact CA-O 3.41Å
325	R	94.6	Very high	93.4	Very high	156 Å²	156	48.5 Å²	48.5	59%	0.589	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.8	128	158.1	-177.7	-177.9	-177.2	-179.5	3.4	108.4	V374 Q375	R325-V374 WeakPolarHBondContact O-CA 3.24Å; R325-Q375 PolarHBondContact N-O 2.91Å; R325-Q375 PolarHBondContact O-N 3.25Å
326	I	94.8	Very high	93.1	Very high	37 Å²	37	53.7 Å²	53.7	19%	0.19	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	146.4	175.5	-63.3	164.9	0	0	0	109.3	F316 T343 I345 L372 V374	F316-I326 HydrophobicContact CE2-CD1 3.91Å; F316-I326 HydrophobicContact CZ-CD1 3.98Å; I326-T343 HydrophobicContact CD1-CG2 4.36Å; I326-T343 HydrophobicContact CG2-CG2 4.06Å; I326-I345 HydrophobicContact CD1-CD1 3.87Å; I326-L372 HydrophobicContact CG2-CD1 3.7Å; I326-V374 HydrophobicContact CG1-CG1 4.02Å
327	K	95	Very high	92.8	Very high	35 Å²	35	58 Å²	58	15%	0.152	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.6	174.6	-93.2	169.3	147.4	-82.7	0	110	Y329 E334 E373	K327-Y329 HydrophobicContact CB-CE2 4.19Å; K327-Y329 PolarHBondContact NZ-OH 3.21Å; K327-E334 WeakPolarHBondContact CE-OE1 3.4Å; K327-E334 IonicContact NZ-OE1 3.96Å; K327-E334 PolarHBondContact NZ-OE1 2.82Å; K327-E334 IonicContact NZ-OE2 2.81Å; K327-E334 PolarHBondContact NZ-OE2 3.06Å; K327-E373 HydrophobicContact CB-CB 4.15Å; K327-E373 VanDerWaalsContact CD-OE2 3.32Å; K327-E373 WeakPolarHBondContact CD-OE2 3.41Å; K327-E373 PolarHBondContact N-O 2.87Å; K327-E373 PolarHBondContact O-N 2.64Å
328	W	95.9	Very high	92.3	Very high	3 Å²	3	59.2 Å²	59.2	1%	0.011	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.6	174.8	-69.9	96.1	0	0	0	112	L303 I314 F316 V335 T343 L357 R371 L372	L303-W328 HydrophobicContact CD1-CH2 3.8Å; L303-W328 HydrophobicContact CD1-CZ3 4.21Å; I314-W328 HydrophobicContact CG2-CH2 4.04Å; I314-W328 HydrophobicContact CG2-CZ3 4.3Å; F316-W328 HydrophobicContact CD1-CH2 4.21Å; F316-W328 AromaticContact CD1-CZ2 3.57Å; F316-W328 HydrophobicContact CD1-CZ2 3.57Å; F316-W328 AromaticContact CE1-CZ2 3.81Å; F316-W328 HydrophobicContact CE1-CZ2 3.81Å; F316-W328 HydrophobicContact CG-CZ2 4.38Å; W328-V335 HydrophobicContact CB-CB 3.93Å; W328-V335 HydrophobicContact CB-CG2 3.98Å; W328-V335 PolarHBondContact O-N 3.16Å; W328-T343 PolarHBondContact NE1-OG1 2.89Å; W328-L357 HydrophobicContact CB-CD2 4.41Å; W328-L357 HydrophobicContact CD2-CB 4.2Å; W328-L357 HydrophobicContact CD2-CD1 4.42Å; W328-L357 HydrophobicContact CD2-CD2 3.81Å; W328-L357 HydrophobicContact CD2-CG 4.37Å; W328-L357 HydrophobicContact CE3-CD2 3.97Å; W328-L357 HydrophobicContact CG-CD1 4.14Å; W328-L357 HydrophobicContact CG-CD2 4.02Å; W328-L357 HydrophobicContact CH2-CB 4.09Å; W328-L357 HydrophobicContact CZ2-CB 3.67Å; W328-L357 HydrophobicContact CZ3-CD2 4.46Å; W328-R371 CarbonylContact C-O 3.55Å; W328-R371 WeakPolarHBondContact CA-O 3.47Å; W328-L372 HydrophobicContact CD2-CB 4.47Å; W328-L372 HydrophobicContact CD2-CD1 4.25Å; W328-L372 HydrophobicContact CE3-CB 4.01Å; W328-L372 HydrophobicContact CH2-CB 3.9Å; W328-L372 HydrophobicContact CH2-CD1 4.3Å; W328-L372 HydrophobicContact CH2-CD2 4.19Å; W328-L372 HydrophobicContact CH2-CG 4.35Å; W328-L372 HydrophobicContact CZ2-CB 4.32Å; W328-L372 HydrophobicContact CZ2-CD1 3.86Å; W328-L372 HydrophobicContact CZ2-CD2 4.28Å; W328-L372 HydrophobicContact CZ2-CG 4.38Å; W328-L372 HydrophobicContact CZ3-CB 3.72Å
329	Y	95	Very high	91.6	Very high	30 Å²	30	67.5 Å²	67.5	12%	0.118	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142	170.7	-52.6	-100.5	0	0	0	109.1	K327 V333 E334 Y370 R371 E373	K327-Y329 HydrophobicContact CB-CE2 4.19Å; K327-Y329 PolarHBondContact NZ-OH 3.21Å; Y329-V333 CarbonylContact C-O 3.57Å; Y329-V333 WeakPolarHBondContact CA-O 3.04Å; Y329-E334 HydrophobicContact CD1-CB 3.86Å; Y329-E334 HydrophobicContact CD1-CG 4.49Å; Y329-E334 HydrophobicContact CE1-CB 3.86Å; Y329-E334 HydrophobicContact CE1-CG 4.25Å; Y329-Y370 CarbonylContact O-C 3.38Å; Y329-Y370 VanDerWaalsContact O-CA 3.31Å; Y329-Y370 WeakPolarHBondContact O-CA 3.48Å; Y329-R371 VanDerWaalsContact CE2-NH2 3.35Å; Y329-R371 PolarHBondContact N-O 3.16Å; Y329-R371 PolarHBondContact O-N 2.86Å; Y329-E373 HydrophobicContact CE2-CB 3.86Å; Y329-E373 WeakPolarHBondContact CE2-OE2 3.18Å; Y329-E373 VanDerWaalsContact CZ-OE2 3.3Å; Y329-E373 PolarHBondContact OH-OE2 2.9Å
330	R	93.9	Very high	91	Very high	72 Å²	72	75 Å²	75	27%	0.272	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.5	170.3	-173.9	-177.7	74.9	-152	2.1	108.7	N332 V333 V335 L369 Y370	R330-N332 PolarHBondContact O-N 2.93Å; R330-V333 PolarHBondContact N-O 3.01Å; R330-V333 PolarHBondContact O-N 2.83Å; R330-V335 HydrophobicContact CB-CG2 3.93Å; R330-L369 CarbonylContact C-O 3.05Å; R330-L369 WeakPolarHBondContact CA-O 3.4Å; R330-Y370 HydrophobicContact CB-CD1 4.4Å; R330-Y370 HydrophobicContact CB-CE1 4.2Å; R330-Y370 VanDerWaalsContact CD-CZ 3.43Å; R330-Y370 WeakPolarHBondContact CD-OH 3.37Å; R330-Y370 HydrophobicContact CG-CD2 4.27Å; R330-Y370 HydrophobicContact CG-CE1 4.21Å; R330-Y370 HydrophobicContact CG-CE2 3.86Å
331	D	90.2	Very high	90.8	Very high	86 Å²	86	76 Å²	76	46%	0.46	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	40.5	-177.5	-50.6	-51.6	0	0	0	112.4	V333 G368 L369	D331-V333 VanDerWaalsContact C-N 3.29Å; D331-V333 PolarHBondContact O-N 2.84Å; D331-G368 WeakPolarHBondContact OD1-CA 3.49Å; D331-L369 PolarHBondContact N-O 2.87Å; D331-L369 PolarHBondContact OD1-N 3.41Å
332	N	90.3	Very high	90.7	Very high	117 Å²	117	78.3 Å²	78.3	63%	0.626	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	6.8	-173.9	-62.4	-70.1	0	0	0	117.4	R330	R330-N332 PolarHBondContact O-N 2.93Å
333	V	92.2	Very high	90.7	Very high	105 Å²	105	77.9 Å²	77.9	64%	0.636	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	132.4	170.1	-175.1	0	0	0	0	109.8	Y329 R330 D331 V335	Y329-V333 CarbonylContact C-O 3.57Å; Y329-V333 WeakPolarHBondContact CA-O 3.04Å; R330-V333 PolarHBondContact N-O 3.01Å; R330-V333 PolarHBondContact O-N 2.83Å; D331-V333 VanDerWaalsContact C-N 3.29Å; D331-V333 PolarHBondContact O-N 2.84Å; V333-V335 PolarHBondContact O-N 2.86Å
334	E	92.6	Very high	90.5	Very high	103 Å²	103	74.2 Å²	74.2	48%	0.481	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	130.2	177.3	-176.6	163.4	-170.6	0	0	111	K327 Y329 T336	K327-E334 WeakPolarHBondContact CE-OE1 3.4Å; K327-E334 IonicContact NZ-OE1 3.96Å; K327-E334 PolarHBondContact NZ-OE1 2.82Å; K327-E334 IonicContact NZ-OE2 2.81Å; K327-E334 PolarHBondContact NZ-OE2 3.06Å; Y329-E334 HydrophobicContact CD1-CB 3.86Å; Y329-E334 HydrophobicContact CD1-CG 4.49Å; Y329-E334 HydrophobicContact CE1-CB 3.86Å; Y329-E334 HydrophobicContact CE1-CG 4.25Å; E334-T336 PolarHBondContact O-N 2.86Å
335	V	92	Very high	90.2	Very high	20 Å²	20	76.5 Å²	76.5	12%	0.121	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-77.7	117	-178.8	176.9	0	0	0	0	109	W328 R330 V333 E337 I341	W328-V335 HydrophobicContact CB-CB 3.93Å; W328-V335 HydrophobicContact CB-CG2 3.98Å; W328-V335 PolarHBondContact O-N 3.16Å; R330-V335 HydrophobicContact CB-CG2 3.93Å; V333-V335 PolarHBondContact O-N 2.86Å; V335-E337 PolarHBondContact O-N 2.91Å; V335-I341 HydrophobicContact CG1-CG2 3.7Å
336	T	87.8	Confident	89.4	Confident	128 Å²	128	75 Å²	75	79%	0.785	38%	0.38	S	S	*	.			trans	-75.2	107.4	172.4	53	0	0	0	0	109.9	E334	E334-T336 PolarHBondContact O-N 2.86Å
337	E	88	Confident	88.6	Confident	94 Å²	94	77.4 Å²	77.4	44%	0.439	39%	0.393	S	S	.	.			trans	-71.3	146.7	175.8	-62.4	-166.9	-159.9	0	0	112.3	V335 I341 T343	V335-E337 PolarHBondContact O-N 2.91Å; E337-I341 CarbonylContact C-O 3.54Å; E337-I341 WeakPolarHBondContact CA-O 3.42Å; E337-T343 WeakPolarHBondContact OE1-CB 3.32Å; E337-T343 PolarHBondContact OE1-OG1 2.95Å; E337-T343 PolarHBondContact OE2-N 2.8Å
338	G	84.3	Confident	88	Confident	40 Å²	40	80.4 Å²	80.4	41%	0.412	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	179.3	-163.8	-175.3	0	0	0	0	0	111.4	Y340 I341	G338-Y340 PolarHBondContact O-N 3.38Å; G338-Y340 VanDerWaalsContact O-N 3.08Å; G338-I341 PolarHBondContact N-O 2.7Å; G338-I341 CarbonylContact O-C 3.59Å; G338-I341 PolarHBondContact O-N 3.06Å
339	E	79.3	Confident	87.1	Confident	174 Å²	174	83 Å²	83	81%	0.813	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.4	-171.3	-61.8	-175.7	147.7	0	0	114.9
340	Y	80.8	Confident	86	Confident	158 Å²	158	86.6 Å²	86.6	62%	0.62	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-17.2	-176.5	-57.3	-70.4	0	0	0	115	G338 L359 D360	G338-Y340 PolarHBondContact O-N 3.38Å; G338-Y340 VanDerWaalsContact O-N 3.08Å; Y340-L359 WeakPolarHBondContact O-CA 3.25Å; Y340-D360 HydrophobicContact CD1-CB 4.32Å; Y340-D360 PolarHBondContact O-N 3.15Å
341	I	90.5	Very high	85.3	Confident	25 Å²	25	85.8 Å²	85.8	13%	0.128	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	118.2	178.8	-57.2	-179.7	0	0	0	107.9	V335 E337 G338 L357 Q358 L359	V335-I341 HydrophobicContact CG1-CG2 3.7Å; E337-I341 CarbonylContact C-O 3.54Å; E337-I341 WeakPolarHBondContact CA-O 3.42Å; G338-I341 PolarHBondContact N-O 2.7Å; G338-I341 CarbonylContact O-C 3.59Å; G338-I341 PolarHBondContact O-N 3.06Å; I341-L357 HydrophobicContact CG2-CD1 3.72Å; I341-L357 HydrophobicContact CG2-CD2 4.35Å; I341-L357 HydrophobicContact CG2-CG 4.12Å; I341-Q358 VanDerWaalsContact CA-O 3.3Å; I341-Q358 WeakPolarHBondContact CA-O 2.93Å; I341-L359 HydrophobicContact CD1-CD2 4.01Å; I341-L359 HydrophobicContact CG1-CD2 4.11Å; I341-L359 HydrophobicContact CG1-CG 4.14Å; I341-L359 HydrophobicContact CG2-CG 4.32Å
342	M	90.8	Very high	85.1	Confident	71 Å²	71	82.8 Å²	82.8	35%	0.35	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	151.5	-179.4	66.1	-171.8	-53.4	0	0	113.4	M344 Q358	M342-M344 HydrophobicContact CE-SD 3.68Å; M342-M344 HydrophobicContact CG-CG 4.08Å; M342-M344 HydrophobicContact CG-SD 4.2Å; M342-M344 PolarHBondContact O-N 2.04Å; M342-M344 HydrophobicContact SD-SD 3.99Å; M342-Q358 PolarHBondContact N-O 3.46Å; M342-Q358 VanDerWaalsContact N-O 3.07Å; M342-Q358 PolarHBondContact O-N 2.84Å
343	T	91.9	Very high	85.1	Confident	27 Å²	27	78.9 Å²	78.9	17%	0.166	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	111.6	174	-63.6	0	0	0	0	110	F316 I326 W328 E337 I345 C356	F316-T343 HydrophobicContact CE1-CG2 4.05Å; F316-T343 HydrophobicContact CZ-CG2 3.78Å; I326-T343 HydrophobicContact CD1-CG2 4.36Å; I326-T343 HydrophobicContact CG2-CG2 4.06Å; W328-T343 PolarHBondContact NE1-OG1 2.89Å; E337-T343 WeakPolarHBondContact OE1-CB 3.32Å; E337-T343 PolarHBondContact OE1-OG1 2.95Å; E337-T343 PolarHBondContact OE2-N 2.8Å; T343-I345 HydrophobicContact CG2-CD1 4.46Å; T343-C356 WeakPolarHBondContact CA-O 3.42Å
344	M	86.4	Confident	85	Confident	66 Å²	66	76.1 Å²	76.1	33%	0.325	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.8	174.3	-67.4	-61.7	-71.4	0	0	110.2	M342 G355 C356 Q358	M342-M344 HydrophobicContact CE-SD 3.68Å; M342-M344 HydrophobicContact CG-CG 4.08Å; M342-M344 HydrophobicContact CG-SD 4.2Å; M342-M344 PolarHBondContact O-N 2.04Å; M342-M344 HydrophobicContact SD-SD 3.99Å; M344-G355 CarbonylContact O-C 3.54Å; M344-G355 WeakPolarHBondContact O-CA 3.4Å; M344-C356 PolarHBondContact N-O 3.49Å; M344-C356 PolarHBondContact O-N 3.35Å; M344-Q358 HydrophobicContact CG-CB 4.35Å
345	I	87.3	Confident	84.9	Confident	60 Å²	60	71.5 Å²	71.5	31%	0.308	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	121.8	165.4	-56	-55.8	0	0	0	107.7	F316 I326 T343 I348	F316-I345 HydrophobicContact CE2-CD1 3.9Å; F316-I345 HydrophobicContact CZ-CD1 3.65Å; I326-I345 HydrophobicContact CD1-CD1 3.87Å; T343-I345 HydrophobicContact CG2-CD1 4.46Å; I345-I348 HydrophobicContact CG2-CD1 4.02Å; I345-I348 HydrophobicContact CG2-CG1 3.56Å
346	H	78.8	Confident	84.9	Confident	123 Å²	123	70.7 Å²	70.7	57%	0.569	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	-30.6	-175.7	-60.8	-57.1	0	0	0	112.7	H354 C356	H346-H354 PolarHBondContact N-O 3.49Å; H346-C356 WeakPolarHBondContact NE2-CB 3.23Å
347	D	78.8	Confident	85.2	Confident	88 Å²	88	64.6 Å²	64.6	47%	0.471	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	148.7	177.4	-174.9	26.1	0	0	0	110.3	H354	D347-H354 HydrophobicContact CB-CB 4.22Å; D347-H354 PolarHBondContact N-O 2.9Å; D347-H354 PolarHBondContact O-N 2.9Å; D347-H354 IonicContact OD2-CD2 2.67Å
348	I	81.9	Confident	85.3	Confident	98 Å²	98	62.2 Å²	62.2	50%	0.503	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	102.9	175.7	-55.8	177.2	0	0	0	106.6	I345 Y353	I345-I348 HydrophobicContact CG2-CD1 4.02Å; I345-I348 HydrophobicContact CG2-CG1 3.56Å; I348-Y353 HydrophobicContact CD1-CD1 3.99Å; I348-Y353 HydrophobicContact CD1-CE1 3.95Å; I348-Y353 HydrophobicContact CG1-CD1 3.98Å; I348-Y353 HydrophobicContact CG1-CE1 4.34Å; I348-Y353 HydrophobicContact CG2-CD1 4.17Å; I348-Y353 HydrophobicContact CG2-CE1 4.06Å
349	T	76.3	Confident	85.6	Confident	57 Å²	57	60.3 Å²	60.3	35%	0.35	29%	0.288	S	S	.	.			trans	-79.4	177.4	174.8	63.5	0	0	0	0	110.7	R351 E352 H354	T349-R351 PolarHBondContact O-N 3.37Å; T349-E352 PolarHBondContact N-O 3.45Å; T349-E352 WeakPolarHBondContact OG1-CB 3.41Å; T349-E352 PolarHBondContact OG1-N 3.43Å; T349-E352 PolarHBondContact OG1-O 3.29Å; T349-E352 VanDerWaalsContact OG1-O 3.07Å; T349-H354 WeakPolarHBondContact CG2-NE2 3.35Å
350	E	71.3	Confident	85.9	Confident	107 Å²	107	54.5 Å²	54.5	50%	0.5	26%	0.263	S	S	.	.	S	Bend	trans	-49.7	-17.5	176.5	-71	178.6	175.6	0	0	115.8	H271 N272 K273	H271-E350 PolarHBondContact CD2-O 3.07Å; N272-E350 HydrophobicContact CB-CB 4.12Å; N272-E350 HydrophobicContact CB-CG 4.3Å; N272-E350 PolarHBondContact ND2-O 2.95Å; K273-E350 IonicContact NZ-OE2 3.17Å; K273-E350 PolarHBondContact NZ-OE2 2.97Å
351	R	79.1	Confident	85.9	Confident	55 Å²	55	53.1 Å²	53.1	21%	0.208	27%	0.266	C	S	.	.	S	Bend	trans	-150.7	-11.9	177	76.6	-174.8	-175.7	79.9	15.2	115.9	F296 A319 A320 T349	F296-R351 HydrophobicContact CZ-CB 4.33Å; A319-R351 VanDerWaalsContact CA-O 3.28Å; A319-R351 WeakPolarHBondContact CA-O 3.39Å; A320-R351 PolarHBondContact N-O 2.66Å; A320-R351 VanDerWaalsContact N-O 3.07Å; T349-R351 PolarHBondContact O-N 3.37Å
352	E	87.8	Confident	85.7	Confident	22 Å²	22	52 Å²	52	10%	0.103	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.1	-176.4	-55.3	-158.2	-173.1	0	0	113	T301 V318 A319 T349 H354	T301-E352 WeakPolarHBondContact CG2-OE1 3.09Å; T301-E352 PolarHBondContact OG1-OE2 3.41Å; V318-E352 CarbonylContact O-C 3.53Å; V318-E352 VanDerWaalsContact O-CA 3.32Å; V318-E352 WeakPolarHBondContact O-CA 3.34Å; A319-E352 HydrophobicContact CB-CG 3.89Å; T349-E352 PolarHBondContact N-O 3.45Å; T349-E352 WeakPolarHBondContact OG1-CB 3.41Å; T349-E352 PolarHBondContact OG1-N 3.43Å; T349-E352 PolarHBondContact OG1-O 3.29Å; T349-E352 VanDerWaalsContact OG1-O 3.07Å; E352-H354 IonicContact OE2-CE1 2.92Å; E352-H354 PolarHBondContact OE2-CE1 3Å
353	Y	90.3	Very high	85.5	Confident	36 Å²	36	50.9 Å²	50.9	14%	0.141	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118.1	169.8	-63	-100.6	0	0	0	108.3	S317 V318 A320 E323 P324 I348	S317-Y353 CarbonylContact C-O 3.57Å; S317-Y353 WeakPolarHBondContact CA-O 3.09Å; V318-Y353 PolarHBondContact N-O 3.2Å; V318-Y353 PolarHBondContact O-N 3.43Å; A320-Y353 HydrophobicContact CB-CE2 4.42Å; E323-Y353 WeakPolarHBondContact CA-OH 3.22Å; E323-Y353 WeakPolarHBondContact CB-OH 3.36Å; E323-Y353 HydrophobicContact CG-CE1 4.12Å; P324-Y353 VanDerWaalsContact CD-CE2 3.47Å; P324-Y353 HydrophobicContact CG-CD2 4.11Å; P324-Y353 HydrophobicContact CG-CE2 4.28Å; I348-Y353 HydrophobicContact CD1-CD1 3.99Å; I348-Y353 HydrophobicContact CD1-CE1 3.95Å; I348-Y353 HydrophobicContact CG1-CD1 3.98Å; I348-Y353 HydrophobicContact CG1-CE1 4.34Å; I348-Y353 HydrophobicContact CG2-CD1 4.17Å; I348-Y353 HydrophobicContact CG2-CE1 4.06Å
354	H	90	Very high	85.1	Confident	47 Å²	47	52.5 Å²	52.5	22%	0.218	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.6	177.6	-58.4	-56.4	0	0	0	109.5	S317 H346 D347 T349 E352	S317-H354 WeakPolarHBondContact CB-ND1 3.24Å; S317-H354 PolarHBondContact OG-ND1 2.7Å; H346-H354 PolarHBondContact N-O 3.49Å; D347-H354 HydrophobicContact CB-CB 4.22Å; D347-H354 PolarHBondContact N-O 2.9Å; D347-H354 PolarHBondContact O-N 2.9Å; D347-H354 IonicContact OD2-CD2 2.67Å; T349-H354 WeakPolarHBondContact CG2-NE2 3.35Å; E352-H354 IonicContact OE2-CE1 2.92Å; E352-H354 PolarHBondContact OE2-CE1 3Å
355	G	90.1	Very high	85	Confident	6 Å²	6	55 Å²	55	6%	0.062	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	-174.7	-170.3	0	0	0	0	0	114.2	F316 M344	F316-G355 VanDerWaalsContact CD1-C 3.44Å; F316-G355 WeakPolarHBondContact CD1-O 3.27Å; F316-G355 PolarHBondContact N-O 2.72Å; F316-G355 PolarHBondContact O-N 3.43Å; M344-G355 CarbonylContact O-C 3.54Å; M344-G355 WeakPolarHBondContact O-CA 3.4Å
356	C	91.4	Very high	85.1	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.014	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	135.1	-172.5	179.8	0	0	0	0	109.5	C313 I314 T343 M344 H346 Q358	C313-C356 WeakPolarHBondContact CA-SG 3.25Å; C313-C356 HydrophobicContact CB-CB 4.44Å; C313-C356 WeakPolarHBondContact CB-SG 3.37Å; C313-C356 WeakPolarHBondContact SG-CB 3.39Å; C313-C356 CovalentContact SG-SG 2.02Å; C313-C356 PolarHBondContact SG-SG 3.32Å; I314-C356 WeakPolarHBondContact O-CA 3.28Å; T343-C356 WeakPolarHBondContact CA-O 3.42Å; M344-C356 PolarHBondContact N-O 3.49Å; M344-C356 PolarHBondContact O-N 3.35Å; H346-C356 WeakPolarHBondContact NE2-CB 3.23Å; C356-Q358 PolarHBondContact O-N 3.18Å
357	L	93.6	Very high	85.6	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	105.3	151.5	-174.6	64.2	0	0	0	106.6	C313 I314 W328 I341 L359 Y370	C313-L357 WeakPolarHBondContact CA-O 3.43Å; I314-L357 HydrophobicContact CB-CB 4.24Å; I314-L357 HydrophobicContact CD1-CD2 4.4Å; I314-L357 PolarHBondContact N-O 2.92Å; I314-L357 PolarHBondContact O-N 3.25Å; W328-L357 HydrophobicContact CB-CD2 4.41Å; W328-L357 HydrophobicContact CD2-CB 4.2Å; W328-L357 HydrophobicContact CD2-CD1 4.42Å; W328-L357 HydrophobicContact CD2-CD2 3.81Å; W328-L357 HydrophobicContact CD2-CG 4.37Å; W328-L357 HydrophobicContact CE3-CD2 3.97Å; W328-L357 HydrophobicContact CG-CD1 4.14Å; W328-L357 HydrophobicContact CG-CD2 4.02Å; W328-L357 HydrophobicContact CH2-CB 4.09Å; W328-L357 HydrophobicContact CZ2-CB 3.67Å; W328-L357 HydrophobicContact CZ3-CD2 4.46Å; I341-L357 HydrophobicContact CG2-CD1 3.72Å; I341-L357 HydrophobicContact CG2-CD2 4.35Å; I341-L357 HydrophobicContact CG2-CG 4.12Å; L357-L359 HydrophobicContact CD2-CD1 4.48Å; L357-L359 HydrophobicContact CG-CD1 4.22Å; L357-L359 WeakPolarHBondContact O-CD1 3.45Å; L357-Y370 HydrophobicContact CD2-CD1 3.64Å; L357-Y370 HydrophobicContact CD2-CE1 3.73Å
358	Q	90.3	Very high	86.2	Confident	45 Å²	45	45.4 Å²	45.4	21%	0.21	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.6	178.5	-173.6	177.6	-43.1	0	0	109.1	H311 W312 I341 M342 M344 C356	H311-Q358 HydrophobicContact CB-CG 3.77Å; H311-Q358 PolarHBondContact ND1-NE2 3.02Å; H311-Q358 VanDerWaalsContact ND1-NE2 3.19Å; W312-Q358 CarbonylContact O-C 3.6Å; W312-Q358 WeakPolarHBondContact O-CA 3.19Å; I341-Q358 VanDerWaalsContact CA-O 3.3Å; I341-Q358 WeakPolarHBondContact CA-O 2.93Å; M342-Q358 PolarHBondContact N-O 3.46Å; M342-Q358 VanDerWaalsContact N-O 3.07Å; M342-Q358 PolarHBondContact O-N 2.84Å; M344-Q358 HydrophobicContact CG-CB 4.35Å; C356-Q358 PolarHBondContact O-N 3.18Å
359	L	91.1	Very high	86.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.4	173	-62.5	93.6	0	0	0	109.6	W312 I314 Y340 I341 L357 P362 N366 F389	W312-L359 HydrophobicContact CB-CB 4.38Å; W312-L359 PolarHBondContact N-O 2.84Å; W312-L359 PolarHBondContact O-N 3.47Å; I314-L359 HydrophobicContact CD1-CD1 4.4Å; I314-L359 HydrophobicContact CG1-CD1 4.42Å; Y340-L359 WeakPolarHBondContact O-CA 3.25Å; I341-L359 HydrophobicContact CD1-CD2 4.01Å; I341-L359 HydrophobicContact CG1-CD2 4.11Å; I341-L359 HydrophobicContact CG1-CG 4.14Å; I341-L359 HydrophobicContact CG2-CG 4.32Å; L357-L359 HydrophobicContact CD2-CD1 4.48Å; L357-L359 HydrophobicContact CG-CD1 4.22Å; L357-L359 WeakPolarHBondContact O-CD1 3.45Å; L359-P362 HydrophobicContact CB-CB 4.08Å; L359-P362 HydrophobicContact CB-CG 3.95Å; L359-P362 HydrophobicContact CD2-CB 4.15Å; L359-N366 HydrophobicContact CD2-CB 4.31Å; L359-F389 HydrophobicContact CD1-CE1 4.18Å; L359-F389 HydrophobicContact CD1-CZ 3.95Å; L359-F389 HydrophobicContact CD2-CE1 4.43Å; L359-F389 HydrophobicContact CD2-CE2 4.23Å; L359-F389 HydrophobicContact CD2-CZ 3.88Å; L359-F389 HydrophobicContact CG-CZ 4.5Å
360	D	85.7	Confident	87.8	Confident	51 Å²	51	40.6 Å²	40.6	27%	0.273	21%	0.206	S	C	.	.	S	Bend	trans	-80.9	131.5	170.7	-178.7	33	0	0	0	110.9	H311 Y340 P362	H311-D360 IonicContact CD2-OD1 2.86Å; Y340-D360 HydrophobicContact CD1-CB 4.32Å; Y340-D360 PolarHBondContact O-N 3.15Å; D360-P362 VanDerWaalsContact C-N 3.31Å; D360-P362 WeakPolarHBondContact O-CD 3.14Å
361	N	81.3	Confident	89	Confident	129 Å²	129	37.2 Å²	37.2	69%	0.69	19%	0.189	S	C	*	.	S	Bend	trans	32.4	51	179.4	-74.4	-78	0	0	0	115.9
362	P	86.2	Confident	89.8	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.019	18%	0.179	C	C	.	.			trans	-64.1	145.6	-177	27.8	-36.7	0	0	0	112.5	W312 L359 D360 N366 F389	W312-P362 HydrophobicContact CB-CG 3.73Å; W312-P362 VanDerWaalsContact CD1-CG 3.45Å; W312-P362 HydrophobicContact CD2-CG 4.46Å; W312-P362 HydrophobicContact CG-CG 3.62Å; L359-P362 HydrophobicContact CB-CB 4.08Å; L359-P362 HydrophobicContact CB-CG 3.95Å; L359-P362 HydrophobicContact CD2-CB 4.15Å; D360-P362 VanDerWaalsContact C-N 3.31Å; D360-P362 WeakPolarHBondContact O-CD 3.14Å; P362-N366 HydrophobicContact CB-CB 3.7Å; P362-F389 HydrophobicContact CB-CB 4.02Å; P362-F389 HydrophobicContact CB-CD1 3.89Å; P362-F389 HydrophobicContact CB-CD2 4.08Å; P362-F389 HydrophobicContact CB-CE1 4.4Å; P362-F389 HydrophobicContact CB-CG 3.71Å; P362-F389 HydrophobicContact CG-CB 3.95Å; P362-F389 HydrophobicContact CG-CD1 3.4Å; P362-F389 VanDerWaalsContact CG-CD1 3.4Å; P362-F389 HydrophobicContact CG-CD2 4.49Å; P362-F389 HydrophobicContact CG-CE1 3.99Å; P362-F389 HydrophobicContact CG-CG 3.68Å
363	T	85.4	Confident	90.2	Very high	47 Å²	47	35.8 Å²	35.8	29%	0.288	19%	0.185	S	C	.	.			trans	-107.4	-179	-178.7	69.6	0	0	0	0	111.7	I365 N366 N367 M390	T363-I365 PolarHBondContact O-N 3.26Å; T363-I365 WeakPolarHBondContact OG1-CB 3.38Å; T363-I365 PolarHBondContact OG1-N 2.95Å; T363-N366 PolarHBondContact N-OD1 2.85Å; T363-N366 WeakPolarHBondContact O-CB 3.36Å; T363-N366 PolarHBondContact O-N 3.29Å; T363-N366 PolarHBondContact OG1-OD1 3.27Å; T363-N367 PolarHBondContact O-OD1 3.25Å; T363-M390 HydrophobicContact CG2-CE 4.17Å
364	H	83.6	Confident	90.5	Very high	61 Å²	61	34 Å²	34	28%	0.282	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-14.1	171.9	66.6	-100.1	0	0	0	113.8	N366 M390 R392	H364-N366 VanDerWaalsContact C-N 3.34Å; H364-M390 HydrophobicContact CB-CB 4.47Å; H364-M390 WeakPolarHBondContact CB-O 3.27Å; H364-R392 HydrophobicContact CB-CG 4.1Å
365	I	85.7	Confident	90.8	Very high	118 Å²	118	36.4 Å²	36.4	61%	0.605	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-21.6	173.8	-53.6	174.3	0	0	0	111.1	T363	T363-I365 PolarHBondContact O-N 3.26Å; T363-I365 WeakPolarHBondContact OG1-CB 3.38Å; T363-I365 PolarHBondContact OG1-N 2.95Å
366	N	88.4	Confident	91	Very high	28 Å²	28	37 Å²	37	15%	0.15	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-14.8	176.2	-59.7	76.9	0	0	0	112.4	L359 P362 T363 H364 Y370 F389	L359-N366 HydrophobicContact CD2-CB 4.31Å; P362-N366 HydrophobicContact CB-CB 3.7Å; T363-N366 PolarHBondContact N-OD1 2.85Å; T363-N366 WeakPolarHBondContact O-CB 3.36Å; T363-N366 PolarHBondContact O-N 3.29Å; T363-N366 PolarHBondContact OG1-OD1 3.27Å; H364-N366 VanDerWaalsContact C-N 3.34Å; N366-Y370 WeakPolarHBondContact O-CE2 3.05Å; N366-Y370 PolarHBondContact O-OH 3.48Å; N366-F389 HydrophobicContact CB-CD2 3.72Å; N366-F389 HydrophobicContact CB-CE2 3.94Å; N366-F389 VanDerWaalsContact O-CE2 3.31Å; N366-F389 WeakPolarHBondContact O-CE2 3.05Å
367	N	89.3	Confident	91.1	Very high	29 Å²	29	44 Å²	44	16%	0.155	22%	0.221	C	C	.	.			trans	-60.4	136.3	175.5	-60.5	-0.5	0	0	0	110.3	T363 A387 H388 F389 M390	T363-N367 PolarHBondContact O-OD1 3.25Å; N367-A387 VanDerWaalsContact CA-O 3.32Å; N367-A387 WeakPolarHBondContact CA-O 3.47Å; N367-H388 PolarHBondContact ND2-CD2 3.14Å; N367-H388 VanDerWaalsContact ND2-CD2 3.26Å; N367-H388 PolarHBondContact ND2-NE2 3Å; N367-F389 PolarHBondContact OD1-N 2.91Å; N367-M390 PolarHBondContact ND2-O 2.79Å; N367-M390 PolarHBondContact OD1-N 3.25Å
368	G	91.8	Very high	91.1	Very high	13 Å²	13	48 Å²	48	13%	0.134	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.4	-176.9	179.8	0	0	0	0	0	113.5	D331 Y370 A387	D331-G368 WeakPolarHBondContact OD1-CA 3.49Å; G368-Y370 WeakPolarHBondContact O-CD2 3.48Å; G368-A387 PolarHBondContact N-O 2.92Å; G368-A387 PolarHBondContact O-N 3.4Å
369	L	95.4	Very high	91.3	Very high	54 Å²	54	47.1 Å²	47.1	28%	0.283	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	113.7	173.1	-175.1	65.2	0	0	0	109.5	R330 D331 E384	R330-L369 CarbonylContact C-O 3.05Å; R330-L369 WeakPolarHBondContact CA-O 3.4Å; D331-L369 PolarHBondContact N-O 2.87Å; D331-L369 PolarHBondContact OD1-N 3.41Å; L369-E384 HydrophobicContact CD1-CB 3.98Å; L369-E384 HydrophobicContact CG-CB 4.43Å
370	Y	95.6	Very high	91.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	120.2	178.5	-74.8	-104.8	0	0	0	110.2	I314 Y329 R330 L357 N366 G368 E384 I385 A387 F389	I314-Y370 HydrophobicContact CD1-CD1 3.75Å; I314-Y370 HydrophobicContact CD1-CD2 3.96Å; I314-Y370 HydrophobicContact CD1-CE1 4.12Å; I314-Y370 HydrophobicContact CD1-CE2 4.33Å; I314-Y370 HydrophobicContact CD1-CG 3.66Å; Y329-Y370 CarbonylContact O-C 3.38Å; Y329-Y370 VanDerWaalsContact O-CA 3.31Å; Y329-Y370 WeakPolarHBondContact O-CA 3.48Å; R330-Y370 HydrophobicContact CB-CD1 4.4Å; R330-Y370 HydrophobicContact CB-CE1 4.2Å; R330-Y370 VanDerWaalsContact CD-CZ 3.43Å; R330-Y370 WeakPolarHBondContact CD-OH 3.37Å; R330-Y370 HydrophobicContact CG-CD2 4.27Å; R330-Y370 HydrophobicContact CG-CE1 4.21Å; R330-Y370 HydrophobicContact CG-CE2 3.86Å; L357-Y370 HydrophobicContact CD2-CD1 3.64Å; L357-Y370 HydrophobicContact CD2-CE1 3.73Å; N366-Y370 WeakPolarHBondContact O-CE2 3.05Å; N366-Y370 PolarHBondContact O-OH 3.48Å; G368-Y370 WeakPolarHBondContact O-CD2 3.48Å; Y370-E384 CarbonylContact O-C 3.6Å; Y370-E384 VanDerWaalsContact O-CA 3.31Å; Y370-E384 WeakPolarHBondContact O-CA 3.2Å; Y370-I385 PolarHBondContact N-O 2.79Å; Y370-I385 PolarHBondContact O-N 2.9Å; Y370-A387 HydrophobicContact CD2-CB 3.67Å; Y370-A387 HydrophobicContact CE2-CB 3.76Å; Y370-F389 HydrophobicContact CE2-CE2 4.09Å; Y370-F389 HydrophobicContact CE2-CZ 4.47Å
371	R	96.1	Very high	92	Very high	36 Å²	36	50.4 Å²	50.4	14%	0.136	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.6	172.9	-174.8	167.8	62.7	81.1	8.6	110.3	W328 Y329 E373 E382 K383 E384	W328-R371 CarbonylContact C-O 3.55Å; W328-R371 WeakPolarHBondContact CA-O 3.47Å; Y329-R371 VanDerWaalsContact CE2-NH2 3.35Å; Y329-R371 PolarHBondContact N-O 3.16Å; Y329-R371 PolarHBondContact O-N 2.86Å; R371-E373 IonicContact NH1-OE1 2.59Å; R371-E382 WeakPolarHBondContact CD-OE2 3.41Å; R371-E382 IonicContact CZ-OE2 3.51Å; R371-E382 IonicContact NE-OE2 2.65Å; R371-E382 IonicContact NH1-OE2 2.67Å; R371-E382 PolarHBondContact NH1-OE2 3.39Å; R371-K383 CarbonylContact C-O 3.55Å; R371-K383 WeakPolarHBondContact CA-O 3.25Å; R371-E384 HydrophobicContact CB-CG 3.95Å; R371-E384 HydrophobicContact CG-CG 3.87Å
372	L	96.6	Very high	92.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.8	168.7	172	56.2	0	0	0	108.5	I300 L303 F316 V318 I326 W328 V374 E382 K383	I300-L372 HydrophobicContact CD1-CB 4.34Å; I300-L372 HydrophobicContact CD1-CD2 4.04Å; I300-L372 HydrophobicContact CD1-CG 3.85Å; I300-L372 HydrophobicContact CG1-CD2 4.23Å; I300-L372 HydrophobicContact CG1-CG 4.44Å; I300-L372 HydrophobicContact CG2-CD2 3.94Å; L303-L372 HydrophobicContact CD1-CD2 4.24Å; L303-L372 HydrophobicContact CD2-CB 4.4Å; F316-L372 HydrophobicContact CB-CD2 3.72Å; F316-L372 HydrophobicContact CD2-CD2 4.18Å; F316-L372 HydrophobicContact CG-CD2 3.94Å; V318-L372 HydrophobicContact CG2-CD2 4.48Å; I326-L372 HydrophobicContact CG2-CD1 3.7Å; W328-L372 HydrophobicContact CD2-CB 4.47Å; W328-L372 HydrophobicContact CD2-CD1 4.25Å; W328-L372 HydrophobicContact CE3-CB 4.01Å; W328-L372 HydrophobicContact CH2-CB 3.9Å; W328-L372 HydrophobicContact CH2-CD1 4.3Å; W328-L372 HydrophobicContact CH2-CD2 4.19Å; W328-L372 HydrophobicContact CH2-CG 4.35Å; W328-L372 HydrophobicContact CZ2-CB 4.32Å; W328-L372 HydrophobicContact CZ2-CD1 3.86Å; W328-L372 HydrophobicContact CZ2-CD2 4.28Å; W328-L372 HydrophobicContact CZ2-CG 4.38Å; W328-L372 HydrophobicContact CZ3-CB 3.72Å; L372-V374 HydrophobicContact CD1-CG1 3.77Å; L372-V374 HydrophobicContact CG-CG1 4.07Å; L372-E382 WeakPolarHBondContact O-CA 3.31Å; L372-E382 WeakPolarHBondContact O-CB 3.37Å; L372-K383 PolarHBondContact N-O 3.27Å; L372-K383 PolarHBondContact O-N 2.83Å
373	E	96.4	Very high	93.2	Very high	46 Å²	46	53.3 Å²	53.3	22%	0.215	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.5	173	177.1	179.8	-127.1	0	0	108.7	K327 Y329 R371	K327-E373 HydrophobicContact CB-CB 4.15Å; K327-E373 VanDerWaalsContact CD-OE2 3.32Å; K327-E373 WeakPolarHBondContact CD-OE2 3.41Å; K327-E373 PolarHBondContact N-O 2.87Å; K327-E373 PolarHBondContact O-N 2.64Å; Y329-E373 HydrophobicContact CE2-CB 3.86Å; Y329-E373 WeakPolarHBondContact CE2-OE2 3.18Å; Y329-E373 VanDerWaalsContact CZ-OE2 3.3Å; Y329-E373 PolarHBondContact OH-OE2 2.9Å; R371-E373 IonicContact NH1-OE1 2.59Å
374	V	96.7	Very high	93.7	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.3	177.8	-60.1	0	0	0	0	111.4	P298 I300 V318 P324 R325 I326 L372 S380 D381	P298-V374 HydrophobicContact CB-CB 4.39Å; P298-V374 HydrophobicContact CB-CG2 3.86Å; P298-V374 HydrophobicContact CG-CG2 4.1Å; I300-V374 HydrophobicContact CD1-CG2 4.04Å; I300-V374 HydrophobicContact CG1-CG1 4.35Å; I300-V374 HydrophobicContact CG1-CG2 3.57Å; V318-V374 HydrophobicContact CG1-CB 4.29Å; V318-V374 HydrophobicContact CG1-CG1 4.28Å; V318-V374 HydrophobicContact CG1-CG2 4.06Å; V318-V374 HydrophobicContact CG2-CG1 3.86Å; P324-V374 HydrophobicContact CB-CB 4.49Å; R325-V374 WeakPolarHBondContact O-CA 3.24Å; I326-V374 HydrophobicContact CG1-CG1 4.02Å; L372-V374 HydrophobicContact CD1-CG1 3.77Å; L372-V374 HydrophobicContact CG-CG1 4.07Å; V374-S380 CarbonylContact O-C 3.53Å; V374-S380 WeakPolarHBondContact O-CA 3.38Å; V374-S380 WeakPolarHBondContact O-CB 3.44Å; V374-D381 HydrophobicContact CG2-CB 4.07Å; V374-D381 WeakPolarHBondContact CG2-O 3.31Å; V374-D381 PolarHBondContact N-O 3.02Å; V374-D381 PolarHBondContact O-N 3.27Å
375	Q	96.1	Very high	94.3	Very high	97 Å²	97	54.7 Å²	54.7	45%	0.453	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	134.4	-173.4	-179.7	174.7	78.8	0	0	112	P324 R325 G379	P324-Q375 CarbonylContact C-O 3.5Å; P324-Q375 WeakPolarHBondContact CA-O 3.41Å; R325-Q375 PolarHBondContact N-O 2.91Å; R325-Q375 PolarHBondContact O-N 3.25Å; Q375-G379 WeakPolarHBondContact CA-O 3.34Å
376	N	94.8	Very high	94.7	Very high	17 Å²	17	53.6 Å²	53.6	9%	0.091	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	-176.3	162.2	83	11.8	0	0	0	110.3	F296 P322 Y378 G379	F296-N376 PolarHBondContact O-ND2 2.81Å; P322-N376 HydrophobicContact CG-CB 4.45Å; P322-N376 PolarHBondContact O-ND2 3.27Å; N376-Y378 PolarHBondContact O-N 3.34Å; N376-Y378 WeakPolarHBondContact OD1-CB 3.16Å; N376-Y378 PolarHBondContact OD1-N 3.28Å; N376-G379 PolarHBondContact N-O 2.92Å; N376-G379 PolarHBondContact O-N 3.24Å; N376-G379 VanDerWaalsContact O-O 3.04Å
377	K	93.3	Very high	94.7	Very high	150 Å²	150	52.4 Å²	52.4	65%	0.652	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-1.7	-176.2	73.2	-169	-173.1	-167.9	0	115.6	P322	P322-K377 HydrophobicContact CG-CD 3.97Å; P322-K377 HydrophobicContact CG-CG 4.11Å
378	Y	92.9	Very high	94.6	Very high	83 Å²	83	56 Å²	56	33%	0.325	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-9.6	180	-55.8	-56.8	0	0	0	114.2	M221 L295 P322 N376	M221-Y378 HydrophobicContact CE-CD1 3.54Å; M221-Y378 HydrophobicContact CE-CD2 3.91Å; M221-Y378 HydrophobicContact CE-CE1 3.6Å; M221-Y378 HydrophobicContact CE-CE2 3.97Å; M221-Y378 HydrophobicContact CE-CG 3.69Å; M221-Y378 HydrophobicContact SD-CD1 4.09Å; M221-Y378 HydrophobicContact SD-CE1 3.48Å; M221-Y378 WeakPolarHBondContact SD-CE1 3Å; M221-Y378 HydrophobicContact SD-CE2 4.07Å; L295-Y378 HydrophobicContact CB-CE2 3.68Å; L295-Y378 WeakPolarHBondContact CD1-OH 3.42Å; L295-Y378 HydrophobicContact CD2-CE2 3.94Å; L295-Y378 HydrophobicContact CG-CE2 4.31Å; P322-Y378 VanDerWaalsContact CD-CE2 3.41Å; P322-Y378 HydrophobicContact CG-CE2 4.5Å; N376-Y378 PolarHBondContact O-N 3.34Å; N376-Y378 WeakPolarHBondContact OD1-CB 3.16Å; N376-Y378 PolarHBondContact OD1-N 3.28Å
379	G	94.1	Very high	94.4	Very high	27 Å²	27	55.9 Å²	55.9	28%	0.278	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	163.2	-173.2	179.1	0	0	0	0	0	113.2	P298 Q375 N376	P298-G379 VanDerWaalsContact CD-O 3.22Å; P298-G379 WeakPolarHBondContact CD-O 3.48Å; Q375-G379 WeakPolarHBondContact CA-O 3.34Å; N376-G379 PolarHBondContact N-O 2.92Å; N376-G379 PolarHBondContact O-N 3.24Å; N376-G379 VanDerWaalsContact O-O 3.04Å
380	S	95.9	Very high	93.6	Very high	74 Å²	74	58 Å²	58	52%	0.517	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	154.7	176.4	49.4	0	0	0	0	111.2	V374	V374-S380 CarbonylContact O-C 3.53Å; V374-S380 WeakPolarHBondContact O-CA 3.38Å; V374-S380 WeakPolarHBondContact O-CB 3.44Å
381	D	97.1	Very high	92.6	Very high	47 Å²	47	67.9 Å²	67.9	25%	0.251	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	153.3	174.4	-172.6	27.2	0	0	0	109.1	P298 Q299 I300 V374	P298-D381 WeakPolarHBondContact O-CB 3.35Å; Q299-D381 WeakPolarHBondContact CA-OD2 3.19Å; I300-D381 HydrophobicContact CG1-CB 4.39Å; I300-D381 PolarHBondContact N-OD2 2.8Å; V374-D381 HydrophobicContact CG2-CB 4.07Å; V374-D381 WeakPolarHBondContact CG2-O 3.31Å; V374-D381 PolarHBondContact N-O 3.02Å; V374-D381 PolarHBondContact O-N 3.27Å
382	E	96.5	Very high	91.5	Very high	107 Å²	107	73.6 Å²	73.6	50%	0.5	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	144.3	-179.7	66.3	179.1	169.1	0	0	112.8	R371 L372	R371-E382 WeakPolarHBondContact CD-OE2 3.41Å; R371-E382 IonicContact CZ-OE2 3.51Å; R371-E382 IonicContact NE-OE2 2.65Å; R371-E382 IonicContact NH1-OE2 2.67Å; R371-E382 PolarHBondContact NH1-OE2 3.39Å; L372-E382 WeakPolarHBondContact O-CA 3.31Å; L372-E382 WeakPolarHBondContact O-CB 3.37Å
383	K	96	Very high	89.8	Confident	85 Å²	85	79.2 Å²	79.2	37%	0.37	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	150.5	176.7	-72.1	-169.7	-179.8	174.5	0	111.7	I300 L303 R371 L372	I300-K383 HydrophobicContact CB-CD 3.95Å; I300-K383 HydrophobicContact CB-CG 4.22Å; I300-K383 HydrophobicContact CD1-CB 3.96Å; I300-K383 HydrophobicContact CD1-CG 4.01Å; I300-K383 HydrophobicContact CG2-CB 4.42Å; I300-K383 HydrophobicContact CG2-CD 3.85Å; I300-K383 HydrophobicContact CG2-CG 4.32Å; I300-K383 WeakPolarHBondContact O-CE 3.45Å; I300-K383 PolarHBondContact O-NZ 3.37Å; L303-K383 HydrophobicContact CB-CB 4.46Å; L303-K383 HydrophobicContact CD2-CB 3.72Å; R371-K383 CarbonylContact C-O 3.55Å; R371-K383 WeakPolarHBondContact CA-O 3.25Å; L372-K383 PolarHBondContact N-O 3.27Å; L372-K383 PolarHBondContact O-N 2.83Å
384	E	96.3	Very high	88.1	Confident	105 Å²	105	84.6 Å²	84.6	49%	0.491	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.1	-179.5	-54.9	-169.5	134	0	0	111.8	L369 Y370 R371	L369-E384 HydrophobicContact CD1-CB 3.98Å; L369-E384 HydrophobicContact CG-CB 4.43Å; Y370-E384 CarbonylContact O-C 3.6Å; Y370-E384 VanDerWaalsContact O-CA 3.31Å; Y370-E384 WeakPolarHBondContact O-CA 3.2Å; R371-E384 HydrophobicContact CB-CG 3.95Å; R371-E384 HydrophobicContact CG-CG 3.87Å
385	I	95.1	Very high	86.1	Confident	32 Å²	32	90.1 Å²	90.1	16%	0.164	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	140.4	172.4	-168.5	67	0	0	0	109.8	L303 I314 Y370	L303-I385 HydrophobicContact CD1-CG2 4.07Å; L303-I385 HydrophobicContact CD2-CB 3.88Å; L303-I385 HydrophobicContact CD2-CG2 3.84Å; L303-I385 HydrophobicContact CG-CB 3.99Å; L303-I385 HydrophobicContact CG-CG2 3.88Å; I314-I385 HydrophobicContact CG2-CG2 3.75Å; Y370-I385 PolarHBondContact N-O 2.79Å; Y370-I385 PolarHBondContact O-N 2.9Å
386	T	93.6	Very high	83.8	Confident	96 Å²	96	88.7 Å²	88.7	59%	0.589	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	118	175.6	-56.8	0	0	0	0	109.5
387	A	90.1	Very high	81.4	Confident	2 Å²	2	96 Å²	96	2%	0.017	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	136.6	177.5	0	0	0	0	0	111.2	A306 I314 N367 G368 Y370 F389	A306-A387 HydrophobicContact CB-CB 4.14Å; I314-A387 HydrophobicContact CD1-CB 3.74Å; I314-A387 HydrophobicContact CG1-CB 4.33Å; N367-A387 VanDerWaalsContact CA-O 3.32Å; N367-A387 WeakPolarHBondContact CA-O 3.47Å; G368-A387 PolarHBondContact N-O 2.92Å; G368-A387 PolarHBondContact O-N 3.4Å; Y370-A387 HydrophobicContact CD2-CB 3.67Å; Y370-A387 HydrophobicContact CE2-CB 3.76Å; A387-F389 HydrophobicContact CB-CE1 4.44Å; A387-F389 HydrophobicContact CB-CE2 3.74Å; A387-F389 HydrophobicContact CB-CZ 3.6Å
388	H	87	Confident	79.2	Confident	105 Å²	105	96.5 Å²	96.5	49%	0.486	50%	0.499	S	S	.	.			trans	-136.6	112.7	-179.8	176.1	-68.5	0	0	0	110.4	N367 M390	N367-H388 PolarHBondContact ND2-CD2 3.14Å; N367-H388 VanDerWaalsContact ND2-CD2 3.26Å; N367-H388 PolarHBondContact ND2-NE2 3Å; H388-M390 VanDerWaalsContact CE1-C 3.43Å; H388-M390 PolarHBondContact CE1-O 3.19Å; H388-M390 PolarHBondContact NE2-O 3.02Å
389	F	86	Confident	76.8	Confident	11 Å²	11	98.2 Å²	98.2	5%	0.048	52%	0.52	C	S	.	.			trans	-98.8	-46.4	-170.9	-54.9	-78.8	0	0	0	112.5	A306 W312 I314 L359 P362 N366 N367 Y370 A387	A306-F389 HydrophobicContact CB-CE1 3.84Å; A306-F389 HydrophobicContact CB-CZ 4.35Å; W312-F389 HydrophobicContact CB-CD1 3.95Å; W312-F389 HydrophobicContact CB-CE1 3.87Å; W312-F389 AromaticContact CD2-CD1 3.52Å; W312-F389 HydrophobicContact CD2-CD1 3.52Å; W312-F389 HydrophobicContact CD2-CE1 4.12Å; W312-F389 AromaticContact CE3-CD1 3.59Å; W312-F389 HydrophobicContact CE3-CD1 3.59Å; W312-F389 AromaticContact CE3-CE1 3.96Å; W312-F389 HydrophobicContact CE3-CE1 3.96Å; W312-F389 AromaticContact CG-CD1 3.73Å; W312-F389 HydrophobicContact CG-CD1 3.73Å; W312-F389 HydrophobicContact CG-CE1 4.15Å; W312-F389 HydrophobicContact CZ2-CB 4.49Å; W312-F389 WeakPolarHBondContact CZ2-O 3.06Å; W312-F389 HydrophobicContact CZ3-CD1 4.13Å; I314-F389 HydrophobicContact CD1-CZ 4.41Å; L359-F389 HydrophobicContact CD1-CE1 4.18Å; L359-F389 HydrophobicContact CD1-CZ 3.95Å; L359-F389 HydrophobicContact CD2-CE1 4.43Å; L359-F389 HydrophobicContact CD2-CE2 4.23Å; L359-F389 HydrophobicContact CD2-CZ 3.88Å; L359-F389 HydrophobicContact CG-CZ 4.5Å; P362-F389 HydrophobicContact CB-CB 4.02Å; P362-F389 HydrophobicContact CB-CD1 3.89Å; P362-F389 HydrophobicContact CB-CD2 4.08Å; P362-F389 HydrophobicContact CB-CE1 4.4Å; P362-F389 HydrophobicContact CB-CG 3.71Å; P362-F389 HydrophobicContact CG-CB 3.95Å; P362-F389 HydrophobicContact CG-CD1 3.4Å; P362-F389 VanDerWaalsContact CG-CD1 3.4Å; P362-F389 HydrophobicContact CG-CD2 4.49Å; P362-F389 HydrophobicContact CG-CE1 3.99Å; P362-F389 HydrophobicContact CG-CG 3.68Å; N366-F389 HydrophobicContact CB-CD2 3.72Å; N366-F389 HydrophobicContact CB-CE2 3.94Å; N366-F389 VanDerWaalsContact O-CE2 3.31Å; N366-F389 WeakPolarHBondContact O-CE2 3.05Å; N367-F389 PolarHBondContact OD1-N 2.91Å; Y370-F389 HydrophobicContact CE2-CE2 4.09Å; Y370-F389 HydrophobicContact CE2-CZ 4.47Å; A387-F389 HydrophobicContact CB-CE1 4.44Å; A387-F389 HydrophobicContact CB-CE2 3.74Å; A387-F389 HydrophobicContact CB-CZ 3.6Å
390	M	79.6	Confident	74.5	Confident	99 Å²	99	100.5 Å²	100.5	49%	0.488	53%	0.532	S	S	.	.	S	Bend	trans	-142.4	150.1	175.7	-72.3	-156.9	-86.1	0	0	111.8	T363 H364 N367 H388	T363-M390 HydrophobicContact CG2-CE 4.17Å; H364-M390 HydrophobicContact CB-CB 4.47Å; H364-M390 WeakPolarHBondContact CB-O 3.27Å; N367-M390 PolarHBondContact ND2-O 2.79Å; N367-M390 PolarHBondContact OD1-N 3.25Å; H388-M390 VanDerWaalsContact CE1-C 3.43Å; H388-M390 PolarHBondContact CE1-O 3.19Å; H388-M390 PolarHBondContact NE2-O 3.02Å
391	R	75.3	Confident	71.7	Confident	207 Å²	207	106.5 Å²	106.5	78%	0.781	54%	0.544	S	S	*	.			trans	-68.2	161	171.7	-63.3	-174.9	-176.4	-179.2	1.3	110.9
392	R	72.6	Confident	69	Low	156 Å²	156	113.9 Å²	113.9	59%	0.589	57%	0.57	S	S	*	*			trans	-83.7	147.3	173.6	-62.3	176.6	175.3	170.8	-0.7	110.2	H364 D394 D395	H364-R392 HydrophobicContact CB-CG 4.1Å; R392-D394 PolarHBondContact O-N 3.33Å; R392-D395 WeakPolarHBondContact CB-OD2 3.45Å; R392-D395 PolarHBondContact N-OD2 2.88Å; R392-D395 PolarHBondContact O-N 3Å
393	P	60.2	Low	66	Low	117 Å²	117	113.4 Å²	113.4	76%	0.76	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-23.7	177.6	-24.7	35.4	0	0	0	115
394	D	60.9	Low	63.2	Low	160 Å²	160	115.5 Å²	115.5	86%	0.856	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-7	-179.7	-91.7	-15.6	0	0	0	114.3	R392 G396	R392-D394 PolarHBondContact O-N 3.33Å; D394-G396 PolarHBondContact O-N 2.82Å
395	D	53.8	Low	60.1	Low	116 Å²	116	117.2 Å²	117.2	62%	0.62	62%	0.617	S	S	*	*			trans	-77.9	61	178.4	-64	-41	0	0	0	110.5	R392	R392-D395 WeakPolarHBondContact CB-OD2 3.45Å; R392-D395 PolarHBondContact N-OD2 2.88Å; R392-D395 PolarHBondContact O-N 3Å
396	G	49.5	Very low	57.2	Low	66 Å²	66	121.3 Å²	121.3	68%	0.68	64%	0.644	S	S	*	*			trans	-87.7	133.8	-172	0	0	0	0	0	114.7	D394	D394-G396 PolarHBondContact O-N 2.82Å
397	D	43.9	Very low	55	Low	171 Å²	171	122.5 Å²	122.5	91%	0.914	65%	0.653	S	S	*	*			trans	-142.1	122.8	153.4	-112.9	-31.2	0	0	0	106.9
398	E	45.8	Very low	52.3	Low	161 Å²	161	130.8 Å²	130.8	75%	0.752	69%	0.691	S	S	*	*			trans	-94	159.3	-179.2	-144.1	-161.3	-117.7	0	0	110.6	S400	E398-S400 WeakPolarHBondContact OE2-CA 3.23Å; E398-S400 PolarHBondContact OE2-N 2.68Å
399	P	44.6	Very low	50	Low	118 Å²	118	132.5 Å²	132.5	77%	0.766	70%	0.704	S	S	*	*				-146.3	121.2	103.8	34.1	-17.3	0	0	0	115.7
400	S	45	Very low	48.3	Very low	76 Å²	76	137.2 Å²	137.2	53%	0.531	74%	0.736	S	S	.	*			trans	23.2	132.7	136.2	70.8	0	0	0	0	120.3	E398	E398-S400 WeakPolarHBondContact OE2-CA 3.23Å; E398-S400 PolarHBondContact OE2-N 2.68Å
401	Y	37.4	Very low	46.6	Very low	199 Å²	199	138 Å²	138	78%	0.78	75%	0.749	S	S	*	*				-155.7	137.2	128.1	-111.8	-68.9	0	0	0	112.7
402	Y	38.8	Very low	45	Very low	203 Å²	203	135.7 Å²	135.7	80%	0.796	75%	0.751	S	S	*	*			trans	67.6	83	169.4	-60.8	-66.3	0	0	0	120.1
403	A	35.3	Very low	43.6	Very low	97 Å²	97	135.4 Å²	135.4	80%	0.802	76%	0.761	S	S	*	*				-8.7	158.2	115.9	0	0	0	0	0	118.2
404	D	35.7	Very low	42.9	Very low	129 Å²	129	135.5 Å²	135.5	69%	0.69	76%	0.762	S	S	*	*			cis	-174.2	136.1	-8.4	159.9	39.9	0	0	0	108.6
405	V	31.8	Very low	42.2	Very low	141 Å²	141	133.6 Å²	133.6	86%	0.855	76%	0.758	S	S	*	*			trans	-148	138.1	154.1	-173.2	0	0	0	0	109.2
406	T	34.8	Very low	42.2	Very low	118 Å²	118	134.8 Å²	134.8	72%	0.724	76%	0.76	S	S	*	*			trans	-91	165.6	-177.1	23.9	0	0	0	0	114
407	P	48	Very low	42.1	Very low	120 Å²	120	137.4 Å²	137.4	78%	0.779	76%	0.758	S	S	*	*			trans	-98	148.1	-158.8	36.5	-35.7	0	0	0	116.1
408	E	33	Very low	42.6	Very low	176 Å²	176	137.5 Å²	137.5	82%	0.822	75%	0.746	S	S	*	*			trans	-132.9	117.4	160.6	-74	-159.7	142.3	0	0	112.3
409	N	38	Very low	43	Very low	142 Å²	142	134.6 Å²	134.6	76%	0.759	74%	0.739	S	S	*	*			trans	56.4	141.6	153.1	-58.5	-55.6	0	0	0	121.5
410	P	50.3	Low	43.5	Very low	109 Å²	109	131.6 Å²	131.6	71%	0.708	72%	0.724	S	S	*	*			trans	-89.3	144.6	-179.5	35.2	-34.7	0	0	0	113.9
411	P	43.1	Very low	44	Very low	117 Å²	117	132.6 Å²	132.6	76%	0.76	73%	0.727	S	S	*	*			trans	-73.5	125.7	147.8	-3.2	21.7	0	0	0	108.2
412	L	42.1	Very low	44.9	Very low	158 Å²	158	131.8 Å²	131.8	83%	0.827	72%	0.724	S	S	*	*				60.3	117.4	70.4	-79.8	160.1	0	0	0	113.3
413	D	43.1	Very low	46	Very low	150 Å²	150	126.2 Å²	126.2	80%	0.802	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-62.2	146.1	-174.5	-52.2	-89.4	0	0	0	113.3
414	P	46.9	Very low	47.3	Very low	119 Å²	119	126.4 Å²	126.4	77%	0.773	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-67.2	143.1	171.7	29.5	-34.3	0	0	0	110.9
415	P	46.4	Very low	48.9	Very low	119 Å²	119	124.5 Å²	124.5	77%	0.773	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-71.2	151.2	-175.3	29.4	-35.7	0	0	0	112.7	D417	P415-D417 PolarHBondContact O-N 2.95Å
416	E	52.2	Low	50.8	Low	142 Å²	142	119.4 Å²	119.4	66%	0.664	67%	0.67	S	S	*	*			trans	-61.3	106.9	168.6	-71.8	-173.5	164	0	0	110.6	R418	E416-R418 HydrophobicContact CB-CG 4.16Å; E416-R418 PolarHBondContact O-N 2.86Å; E416-R418 IonicContact OE1-NH2 3.09Å; E416-R418 IonicContact OE2-CZ 2.64Å; E416-R418 IonicContact OE2-NE 2.89Å; E416-R418 PolarHBondContact OE2-NE 2.82Å; E416-R418 IonicContact OE2-NH2 3.59Å; E416-R418 PolarHBondContact OE2-NH2 2.87Å
417	D	47.5	Very low	52.8	Low	121 Å²	121	119.1 Å²	119.1	65%	0.647	66%	0.663	S	S	*	*			trans	-79.1	68.7	-178.6	-157	-11.4	0	0	0	112.2	P415 V419 A420	P415-D417 PolarHBondContact O-N 2.95Å; D417-V419 PolarHBondContact O-N 2.81Å; D417-A420 PolarHBondContact O-N 3.34Å
418	R	54.3	Low	54.1	Low	172 Å²	172	116.1 Å²	116.1	65%	0.649	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-6.7	-177.2	-65.8	-175.3	176.5	-156.9	-1	113.8	E416 Y422	E416-R418 HydrophobicContact CB-CG 4.16Å; E416-R418 PolarHBondContact O-N 2.86Å; E416-R418 IonicContact OE1-NH2 3.09Å; E416-R418 IonicContact OE2-CZ 2.64Å; E416-R418 IonicContact OE2-NE 2.89Å; E416-R418 PolarHBondContact OE2-NE 2.82Å; E416-R418 IonicContact OE2-NH2 3.59Å; E416-R418 PolarHBondContact OE2-NH2 2.87Å; R418-Y422 WeakPolarHBondContact O-CD2 3.34Å; R418-Y422 WeakPolarHBondContact O-CE2 3.14Å
419	V	55	Low	56.2	Low	100 Å²	100	110.3 Å²	110.3	61%	0.606	63%	0.63	S	S	*	*	H	α-helix	trans	-76.6	-40.6	-178.8	-175.7	0	0	0	0	111.7	D417 V421 Y422	D417-V419 PolarHBondContact O-N 2.81Å; V419-V421 VanDerWaalsContact C-N 3.31Å; V419-V421 PolarHBondContact O-N 3.1Å; V419-Y422 PolarHBondContact O-N 3.13Å
420	A	54.8	Low	58.4	Low	55 Å²	55	108.6 Å²	108.6	46%	0.455	63%	0.625	S	S	.	*	H	α-helix	trans	-59.6	-39.4	-173.3	0	0	0	0	0	113.2	D417 Y422 V423 V424	D417-A420 PolarHBondContact O-N 3.34Å; A420-Y422 PolarHBondContact O-N 2.75Å; A420-V423 PolarHBondContact O-N 3.41Å; A420-V424 PolarHBondContact O-N 3.27Å
421	V	55.4	Low	59.8	Low	97 Å²	97	106.4 Å²	106.4	59%	0.588	62%	0.616	S	S	*	*	H	α-helix	trans	-63.4	-40.9	-177.4	-176.8	0	0	0	0	111.9	V419 V423 V424 V425	V419-V421 VanDerWaalsContact C-N 3.31Å; V419-V421 PolarHBondContact O-N 3.1Å; V421-V423 VanDerWaalsContact C-N 3.33Å; V421-V423 PolarHBondContact O-N 2.85Å; V421-V424 PolarHBondContact O-N 2.84Å; V421-V425 HydrophobicContact CG1-CG2 4.41Å; V421-V425 WeakPolarHBondContact O-CG2 3.5Å; V421-V425 PolarHBondContact O-N 3.4Å
422	Y	56.4	Low	61.7	Low	183 Å²	183	107.3 Å²	107.3	72%	0.718	61%	0.608	S	S	*	*	H	α-helix	trans	-68	-32.1	179.2	-69.3	-71.6	0	0	0	112.8	R418 V419 A420 G426	R418-Y422 WeakPolarHBondContact O-CD2 3.34Å; R418-Y422 WeakPolarHBondContact O-CE2 3.14Å; V419-Y422 PolarHBondContact O-N 3.13Å; A420-Y422 PolarHBondContact O-N 2.75Å; Y422-G426 PolarHBondContact O-N 3.07Å
423	V	62.2	Low	63.5	Low	85 Å²	85	103.8 Å²	103.8	52%	0.515	59%	0.593	S	S	.	*	H	α-helix	trans	-67.3	-46.4	175.8	179.4	0	0	0	0	110.5	A420 V421 G426 I427	A420-V423 PolarHBondContact O-N 3.41Å; V421-V423 VanDerWaalsContact C-N 3.33Å; V421-V423 PolarHBondContact O-N 2.85Å; V423-G426 PolarHBondContact O-N 3.18Å; V423-I427 HydrophobicContact CG1-CD1 3.9Å; V423-I427 WeakPolarHBondContact O-CG1 3.18Å; V423-I427 PolarHBondContact O-N 3.07Å
424	V	63.2	Low	65.3	Low	101 Å²	101	98.5 Å²	98.5	61%	0.612	57%	0.574	S	S	*	*	H	α-helix	trans	-62.8	-45.4	178.1	176.2	0	0	0	0	111.5	A420 V421 G426 I427 A428	A420-V424 PolarHBondContact O-N 3.27Å; V421-V424 PolarHBondContact O-N 2.84Å; V424-G426 VanDerWaalsContact C-N 3.35Å; V424-G426 PolarHBondContact O-N 3.27Å; V424-I427 PolarHBondContact O-N 2.9Å; V424-A428 WeakPolarHBondContact O-CB 2.83Å; V424-A428 PolarHBondContact O-N 3.4Å
425	V	68.3	Low	66.9	Low	90 Å²	90	98.6 Å²	98.6	55%	0.545	56%	0.563	S	S	.	*	H	α-helix	trans	-64.6	-38.5	176.4	172.7	0	0	0	0	111.6	V421 A428 A429	V421-V425 HydrophobicContact CG1-CG2 4.41Å; V421-V425 WeakPolarHBondContact O-CG2 3.5Å; V421-V425 PolarHBondContact O-N 3.4Å; V425-A428 PolarHBondContact O-N 3.09Å; V425-A429 WeakPolarHBondContact O-CB 3.47Å; V425-A429 PolarHBondContact O-N 3.29Å
426	G	72.5	Confident	68.5	Low	33 Å²	33	96.9 Å²	96.9	34%	0.34	55%	0.547	S	S	.	.	H	α-helix	trans	-62.4	-46.6	175.4	0	0	0	0	0	112.9	Y422 V423 V424 A429 V430	Y422-G426 PolarHBondContact O-N 3.07Å; V423-G426 PolarHBondContact O-N 3.18Å; V424-G426 VanDerWaalsContact C-N 3.35Å; V424-G426 PolarHBondContact O-N 3.27Å; G426-A429 PolarHBondContact O-N 2.04Å; G426-V430 WeakPolarHBondContact O-CG2 3.44Å; G426-V430 PolarHBondContact O-N 3.31Å
427	I	76.8	Confident	69.8	Low	112 Å²	112	95.3 Å²	95.3	57%	0.574	54%	0.542	S	S	*	.	H	α-helix	trans	-62.3	-44.3	176.6	-67.9	166.4	0	0	0	110.7	V423 V424 A429 V430 A431	V423-I427 HydrophobicContact CG1-CD1 3.9Å; V423-I427 WeakPolarHBondContact O-CG1 3.18Å; V423-I427 PolarHBondContact O-N 3.07Å; V424-I427 PolarHBondContact O-N 2.9Å; I427-A429 PolarHBondContact O-N 3.28Å; I427-V430 PolarHBondContact O-N 3.45Å; I427-A431 WeakPolarHBondContact O-CB 3.47Å; I427-A431 PolarHBondContact O-N 3.09Å
428	A	73.8	Confident	71.1	Confident	58 Å²	58	95 Å²	95	48%	0.479	54%	0.538	S	S	.	.	H	α-helix	trans	-60.7	-41.9	176.5	0	0	0	0	0	112.4	V424 V425 A431 F432	V424-A428 WeakPolarHBondContact O-CB 2.83Å; V424-A428 PolarHBondContact O-N 3.4Å; V425-A428 PolarHBondContact O-N 3.09Å; A428-A431 PolarHBondContact O-N 3.16Å; A428-F432 WeakPolarHBondContact O-CB 3.36Å; A428-F432 PolarHBondContact O-N 3.09Å
429	A	79	Confident	72	Confident	53 Å²	53	90.5 Å²	90.5	44%	0.438	53%	0.527	S	S	.	.	H	α-helix	trans	-66.1	-39.5	177.1	0	0	0	0	0	112.9	V425 G426 I427 T433	V425-A429 WeakPolarHBondContact O-CB 3.47Å; V425-A429 PolarHBondContact O-N 3.29Å; G426-A429 PolarHBondContact O-N 2.04Å; I427-A429 PolarHBondContact O-N 3.28Å; A429-T433 WeakPolarHBondContact O-CB 3.41Å; A429-T433 WeakPolarHBondContact O-CG2 3.36Å; A429-T433 PolarHBondContact O-N 3.12Å; A429-T433 PolarHBondContact O-OG1 3.2Å
430	V	83.2	Confident	72.9	Confident	106 Å²	106	89.6 Å²	89.6	64%	0.642	52%	0.521	S	S	*	.	H	α-helix	trans	-67.5	-42.4	175.3	172.7	0	0	0	0	111.1	G426 I427 T433 G434	G426-V430 WeakPolarHBondContact O-CG2 3.44Å; G426-V430 PolarHBondContact O-N 3.31Å; I427-V430 PolarHBondContact O-N 3.45Å; V430-T433 WeakPolarHBondContact CA-OG1 3.23Å; V430-T433 PolarHBondContact O-OG1 3.32Å; V430-T433 VanDerWaalsContact O-OG1 3.12Å; V430-G434 PolarHBondContact O-N 2.96Å
431	A	79.8	Confident	73.7	Confident	64 Å²	64	92.2 Å²	92.2	53%	0.529	53%	0.527	S	S	.	.	H	α-helix	trans	-62.6	-45.4	175.8	0	0	0	0	0	111.8	I427 A428 G434 F435	I427-A431 WeakPolarHBondContact O-CB 3.47Å; I427-A431 PolarHBondContact O-N 3.09Å; A428-A431 PolarHBondContact O-N 3.16Å; A431-G434 PolarHBondContact O-N 3.14Å; A431-F435 WeakPolarHBondContact O-CB 3.41Å; A431-F435 PolarHBondContact O-N 3Å
432	F	82.9	Confident	74.1	Confident	135 Å²	135	93.4 Å²	93.4	59%	0.592	53%	0.529	S	S	*	.	H	α-helix	trans	-67.6	-40.9	-179.7	-166.2	-104.5	0	0	0	112.8	A428 F435 L436	A428-F432 WeakPolarHBondContact O-CB 3.36Å; A428-F432 PolarHBondContact O-N 3.09Å; F432-F435 PolarHBondContact O-N 2.84Å; F432-L436 HydrophobicContact CD1-CD1 3.87Å; F432-L436 HydrophobicContact CD1-CG 4.46Å; F432-L436 HydrophobicContact CE1-CD1 3.66Å; F432-L436 HydrophobicContact CE1-CG 4.29Å; F432-L436 HydrophobicContact CZ-CD1 4.44Å; F432-L436 WeakPolarHBondContact O-CG 3.45Å; F432-L436 PolarHBondContact O-N 3.47Å
433	T	79.5	Confident	74.3	Confident	85 Å²	85	93.1 Å²	93.1	52%	0.521	53%	0.531	S	S	.	.	H	α-helix	trans	-67.1	-39.8	174.5	48.5	0	0	0	0	112	A429 V430 L436 L437	A429-T433 WeakPolarHBondContact O-CB 3.41Å; A429-T433 WeakPolarHBondContact O-CG2 3.36Å; A429-T433 PolarHBondContact O-N 3.12Å; A429-T433 PolarHBondContact O-OG1 3.2Å; V430-T433 WeakPolarHBondContact CA-OG1 3.23Å; V430-T433 PolarHBondContact O-OG1 3.32Å; V430-T433 VanDerWaalsContact O-OG1 3.12Å; T433-L436 PolarHBondContact O-N 2.86Å; T433-L437 WeakPolarHBondContact O-CB 3.21Å; T433-L437 PolarHBondContact O-N 2.91Å
434	G	80.9	Confident	74.1	Confident	39 Å²	39	96.7 Å²	96.7	40%	0.402	54%	0.54	S	S	.	.	H	α-helix	trans	-60.4	-42.7	172.6	0	0	0	0	0	113.2	V430 A431 L437 M438	V430-G434 PolarHBondContact O-N 2.96Å; A431-G434 PolarHBondContact O-N 3.14Å; G434-L437 PolarHBondContact O-N 2.86Å; G434-M438 PolarHBondContact O-N 3.38Å
435	F	81.3	Confident	73.6	Confident	120 Å²	120	94.8 Å²	94.8	53%	0.526	54%	0.541	S	S	.	.	H	α-helix	trans	-63.1	-44.4	175.9	-175.9	-109.2	0	0	0	112.3	A431 F432 L437 M438 L439	A431-F435 WeakPolarHBondContact O-CB 3.41Å; A431-F435 PolarHBondContact O-N 3Å; F432-F435 PolarHBondContact O-N 2.84Å; F435-L437 VanDerWaalsContact C-N 3.34Å; F435-L437 PolarHBondContact O-N 2.62Å; F435-M438 PolarHBondContact O-N 3.02Å; F435-L439 HydrophobicContact CD1-CD1 3.94Å; F435-L439 HydrophobicContact CE1-CD1 3.56Å; F435-L439 HydrophobicContact CE1-CG 4.39Å; F435-L439 HydrophobicContact CZ-CD1 3.99Å; F435-L439 HydrophobicContact CZ-CG 4.45Å; F435-L439 WeakPolarHBondContact O-CG 3.4Å; F435-L439 PolarHBondContact O-N 2.98Å
436	L	80.1	Confident	72.9	Confident	84 Å²	84	93.5 Å²	93.5	44%	0.44	55%	0.546	S	S	.	.	H	α-helix	trans	-61.7	-40.2	173.6	-72.1	173.4	0	0	0	112.2	F432 T433 L439 V440	F432-L436 HydrophobicContact CD1-CD1 3.87Å; F432-L436 HydrophobicContact CD1-CG 4.46Å; F432-L436 HydrophobicContact CE1-CD1 3.66Å; F432-L436 HydrophobicContact CE1-CG 4.29Å; F432-L436 HydrophobicContact CZ-CD1 4.44Å; F432-L436 WeakPolarHBondContact O-CG 3.45Å; F432-L436 PolarHBondContact O-N 3.47Å; T433-L436 PolarHBondContact O-N 2.86Å; L436-L439 PolarHBondContact O-N 2.83Å; L436-V440 WeakPolarHBondContact O-CG2 3.15Å; L436-V440 PolarHBondContact O-N 2.67Å
437	L	78.6	Confident	71.3	Confident	108 Å²	108	99.5 Å²	99.5	57%	0.565	57%	0.57	S	S	*	*	H	α-helix	trans	-66	-40.7	177.8	-131.8	163.7	0	0	0	111.5	T433 G434 F435 V440 I441	T433-L437 WeakPolarHBondContact O-CB 3.21Å; T433-L437 PolarHBondContact O-N 2.91Å; G434-L437 PolarHBondContact O-N 2.86Å; F435-L437 VanDerWaalsContact C-N 3.34Å; F435-L437 PolarHBondContact O-N 2.62Å; L437-V440 PolarHBondContact O-N 3.26Å; L437-I441 HydrophobicContact CD2-CD1 3.87Å; L437-I441 HydrophobicContact CD2-CG1 4.27Å; L437-I441 WeakPolarHBondContact O-CG1 3.35Å; L437-I441 PolarHBondContact O-N 2.72Å
438	M	75.1	Confident	69.6	Low	114 Å²	114	98.7 Å²	98.7	56%	0.562	58%	0.575	S	S	*	*	H	α-helix	trans	-60.9	-44.5	172.7	-168.7	-168.1	-170.5	0	0	111.6	G434 F435 V440 I441 L442	G434-M438 PolarHBondContact O-N 3.38Å; F435-M438 PolarHBondContact O-N 3.02Å; M438-V440 VanDerWaalsContact C-N 3.33Å; M438-V440 PolarHBondContact O-N 2.99Å; M438-I441 PolarHBondContact O-N 3.02Å; M438-L442 HydrophobicContact CE-CD1 4.28Å; M438-L442 HydrophobicContact CG-CD1 4.09Å; M438-L442 WeakPolarHBondContact O-CB 3.43Å; M438-L442 WeakPolarHBondContact O-CG 3.28Å; M438-L442 PolarHBondContact O-N 2.74Å
439	L	73.6	Confident	67.9	Low	79 Å²	79	104.7 Å²	104.7	41%	0.414	59%	0.59	S	S	.	*	H	α-helix	trans	-63.8	-35.8	176.3	-72.5	174.8	0	0	0	112.5	F435 L436 K443	F435-L439 HydrophobicContact CD1-CD1 3.94Å; F435-L439 HydrophobicContact CE1-CD1 3.56Å; F435-L439 HydrophobicContact CE1-CG 4.39Å; F435-L439 HydrophobicContact CZ-CD1 3.99Å; F435-L439 HydrophobicContact CZ-CG 4.45Å; F435-L439 WeakPolarHBondContact O-CG 3.4Å; F435-L439 PolarHBondContact O-N 2.98Å; L436-L439 PolarHBondContact O-N 2.83Å; L439-K443 WeakPolarHBondContact O-CB 3.3Å; L439-K443 PolarHBondContact O-N 2.83Å
440	V	73.7	Confident	66.1	Low	81 Å²	81	112.6 Å²	112.6	49%	0.491	62%	0.615	S	S	.	*	H	α-helix	trans	-65.7	-45.5	172.5	169.4	0	0	0	0	110.9	L436 L437 M438 L442 K443 F444	L436-V440 WeakPolarHBondContact O-CG2 3.15Å; L436-V440 PolarHBondContact O-N 2.67Å; L437-V440 PolarHBondContact O-N 3.26Å; M438-V440 VanDerWaalsContact C-N 3.33Å; M438-V440 PolarHBondContact O-N 2.99Å; V440-L442 PolarHBondContact O-N 3.17Å; V440-K443 PolarHBondContact O-N 2.89Å; V440-F444 HydrophobicContact CG1-CD2 4.04Å; V440-F444 WeakPolarHBondContact O-CD2 3.41Å; V440-F444 PolarHBondContact O-N 3.36Å
441	I	71.3	Confident	63.6	Low	110 Å²	110	110.3 Å²	110.3	56%	0.564	61%	0.613	S	S	*	*	H	α-helix	trans	-60.7	-45.1	177.1	-68.9	164.5	0	0	0	111	L437 M438 K443 G445	L437-I441 HydrophobicContact CD2-CD1 3.87Å; L437-I441 HydrophobicContact CD2-CG1 4.27Å; L437-I441 WeakPolarHBondContact O-CG1 3.35Å; L437-I441 PolarHBondContact O-N 2.72Å; M438-I441 PolarHBondContact O-N 3.02Å; I441-K443 VanDerWaalsContact C-N 3.32Å; I441-K443 PolarHBondContact O-N 2.59Å; I441-G445 WeakPolarHBondContact O-CA 3.4Å; I441-G445 PolarHBondContact O-N 3.04Å
442	L	64.7	Low	61.5	Low	122 Å²	122	115.1 Å²	115.1	64%	0.639	63%	0.628	S	S	*	*	H	α-helix	trans	-66.1	-32.1	177.1	-70.6	169.4	0	0	0	112.9	M438 V440	M438-L442 HydrophobicContact CE-CD1 4.28Å; M438-L442 HydrophobicContact CG-CD1 4.09Å; M438-L442 WeakPolarHBondContact O-CB 3.43Å; M438-L442 WeakPolarHBondContact O-CG 3.28Å; M438-L442 PolarHBondContact O-N 2.74Å; V440-L442 PolarHBondContact O-N 3.17Å
443	K	59.3	Low	59	Low	176 Å²	176	117.9 Å²	117.9	77%	0.765	64%	0.64	S	S	*	*	H	α-helix	trans	-86	-20.8	-177.5	-165.8	167	-173.6	173.3	0	114.3	L439 V440 I441	L439-K443 WeakPolarHBondContact O-CB 3.3Å; L439-K443 PolarHBondContact O-N 2.83Å; V440-K443 PolarHBondContact O-N 2.89Å; I441-K443 VanDerWaalsContact C-N 3.32Å; I441-K443 PolarHBondContact O-N 2.59Å
444	F	59.1	Low	56.6	Low	160 Å²	160	117.2 Å²	117.2	70%	0.702	65%	0.65	S	S	*	*	H	α-helix	trans	-119	-12.8	-179.4	-71.1	-82.1	0	0	0	115	V440 G446	V440-F444 HydrophobicContact CG1-CD2 4.04Å; V440-F444 WeakPolarHBondContact O-CD2 3.41Å; V440-F444 PolarHBondContact O-N 3.36Å; F444-G446 PolarHBondContact O-N 3.48Å
445	G	52	Low	54.6	Low	62 Å²	62	121.9 Å²	121.9	64%	0.639	67%	0.673	S	S	*	*			trans	-67.6	-12.5	177	0	0	0	0	0	114.6	I441 N447	I441-G445 WeakPolarHBondContact O-CA 3.4Å; I441-G445 PolarHBondContact O-N 3.04Å; G445-N447 VanDerWaalsContact C-N 3.33Å; G445-N447 PolarHBondContact O-N 2.94Å
446	G	52.9	Low	52.1	Low	62 Å²	62	121 Å²	121	64%	0.639	68%	0.682	S	S	*	*			trans	-79.3	64.8	177.8	0	0	0	0	0	114.4	F444	F444-G446 PolarHBondContact O-N 3.48Å
447	N	40.5	Very low	49.6	Very low	159 Å²	159	122.9 Å²	122.9	85%	0.85	70%	0.702	S	S	*	*			trans	179.9	149.7	142.2	-99.6	-49.6	0	0	0	116.2	G445	G445-N447 VanDerWaalsContact C-N 3.33Å; G445-N447 PolarHBondContact O-N 2.94Å
448	S	40.8	Very low	47.2	Very low	95 Å²	95	123.6 Å²	123.6	66%	0.664	71%	0.711	S	S	*	*			trans	83.2	90.7	154	-165.9	0	0	0	0	122.4
449	K	38.4	Very low	45.3	Very low	185 Å²	185	125.6 Å²	125.6	80%	0.804	72%	0.722	S	S	*	*				57.8	112.8	125.2	-60.7	170.2	-179.1	174	0	121.1
450	F	40.1	Very low	43	Very low	218 Å²	218	127 Å²	127	96%	0.956	74%	0.738	S	S	*	*				170.5	128.3	121	-98.3	-72.5	0	0	0	107.8
451	G	31.6	Very low	41	Very low	59 Å²	59	129.5 Å²	129.5	61%	0.608	75%	0.749	S	S	*	*			cis	153.9	143.6	-8.3	0	0	0	0	0	111.1
452	I	34.6	Very low	39	Very low	164 Å²	164	131.7 Å²	131.7	84%	0.841	76%	0.762	S	S	*	*			trans	95.1	127.2	-176.5	-59.3	161.4	0	0	0	113.9
453	K	30.8	Very low	37.5	Very low	193 Å²	193	133.6 Å²	133.6	84%	0.839	77%	0.773	S	S	*	*			cis	-153.4	151.7	-15.5	-107.1	175.2	-167.1	176.4	0	108.1
454	G	29.9	Very low	35.9	Very low	72 Å²	72	132.3 Å²	132.3	74%	0.742	77%	0.774	S	S	*	*			trans	-88.3	-151.4	178.7	0	0	0	0	0	114.5
455	P	38.4	Very low	34.4	Very low	136 Å²	136	129.8 Å²	129.8	88%	0.883	78%	0.777	S	S	*	*			cis	-115.1	169.6	30.6	40.7	-33.7	0	0	0	116.3
456	S	27.9	Very low	33	Very low	103 Å²	103	131.6 Å²	131.6	72%	0.72	79%	0.785	S	S	*	*			trans	-96.7	151.7	177.5	50.6	0	0	0	0	113
457	S	28.3	Very low	31.9	Very low	122 Å²	122	133.9 Å²	133.9	85%	0.853	79%	0.791	S	S	*	*			trans	-72.3	155.3	157.6	45.8	0	0	0	0	111
458	V	28.7	Very low	31.2	Very low	123 Å²	123	132.2 Å²	132.2	75%	0.745	79%	0.789	S	S	*	*			trans	-114.9	144.5	-173.4	173.4	0	0	0	0	109.8
459	I	35.4	Very low	30.4	Very low	156 Å²	156	134 Å²	134	80%	0.8	79%	0.791	S	S	*	*			trans	-77	126.6	172.1	-61.2	168.7	0	0	0	109
460	S	25.3	Very low	29.8	Very low	108 Å²	108	132.7 Å²	132.7	76%	0.755	79%	0.787	S	S	*	*			trans	-140.7	131.9	159.7	-64.7	0	0	0	0	108.6
461	N	31.5	Very low	29.1	Very low	134 Å²	134	130.7 Å²	130.7	72%	0.717	78%	0.78	S	S	*	*			trans	-82.8	154.4	162.5	-62.6	-11.6	0	0	0	108.8
462	D	29.5	Very low	28.8	Very low	156 Å²	156	133.1 Å²	133.1	83%	0.834	78%	0.783	S	S	*	*				162.7	157.7	117.6	-78.8	-15.2	0	0	0	109.4
463	D	33	Very low	28.3	Very low	162 Å²	162	130.1 Å²	130.1	87%	0.866	78%	0.777	S	S	*	*			trans	-70.6	137.4	178.9	-58	-75.1	0	0	0	111.6
464	D	24.5	Very low	28.1	Very low	150 Å²	150	129 Å²	129	80%	0.802	78%	0.78	S	S	*	*				-166.6	163	109	-136.7	-33.7	0	0	0	114.3
465	S	28.4	Very low	27.8	Very low	107 Å²	107	129.2 Å²	129.2	75%	0.748	78%	0.782	S	S	*	*			trans	-47.5	131.9	173.2	-45.2	0	0	0	0	116.3
466	A	23.3	Very low	27.2	Very low	99 Å²	99	127.8 Å²	127.8	82%	0.818	78%	0.775	S	S	*	*			trans	-172.8	124.8	130.3	0	0	0	0	0	113.5
467	S	29.4	Very low	27.1	Very low	110 Å²	110	130 Å²	130	77%	0.769	78%	0.779	S	S	*	*			trans	-93.8	156.2	152.8	-58.5	0	0	0	0	109.6
468	P	26	Very low	27	Very low	125 Å²	125	130.1 Å²	130.1	81%	0.812	78%	0.775	S	S	*	*			trans	-115.3	125.8	143.9	4.1	16.2	0	0	0	111.2
469	L	24.5	Very low	27	Very low	132 Å²	132	130.4 Å²	130.4	69%	0.691	78%	0.779	S	S	*	*			trans	-75.8	173.4	153.1	-52.5	86.2	0	0	0	107.6
470	H	25.5	Very low	26.5	Very low	157 Å²	157	128.6 Å²	128.6	73%	0.727	78%	0.78	S	S	*	*			cis	-155.3	163.1	16.6	-105.1	-67.9	0	0	0	107.7
471	H	24.6	Very low	27.2	Very low	176 Å²	176	129.2 Å²	129.2	82%	0.815	78%	0.784	S	S	*	*				-169.1	128	115.9	-113	-85.1	0	0	0	112.8
472	V	25.9	Very low	27.3	Very low	110 Å²	110	127.9 Å²	127.9	67%	0.667	79%	0.786	S	S	*	*			trans	32.8	102.2	150.1	-178.3	0	0	0	0	116.9
473	S	24.2	Very low	27.6	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	79%	0.79	S	S	*	*			cis	70.3	112.1	48.1	90.5	0	0	0	0	116.1
474	N	25.6	Very low	27.5	Very low	171 Å²	171	130.9 Å²	130.9	91%	0.914	79%	0.792	S	S	*	*			trans	-141.2	118.8	143.3	-109.4	-6	0	0	0	107.2
475	G	24.6	Very low	28	Very low	75 Å²	75	126 Å²	126	77%	0.773	78%	0.777	S	S	*	*			trans	-83.8	-174.4	177.3	0	0	0	0	0	112.1
476	S	24.5	Very low	28.2	Very low	106 Å²	106	127 Å²	127	74%	0.741	78%	0.781	S	S	*	*			cis	-161.1	167.1	4.5	47.6	0	0	0	0	107.4
477	N	27.6	Very low	28.8	Very low	149 Å²	149	128 Å²	128	80%	0.797	77%	0.773	S	S	*	*			cis	-140.7	154	32.7	-58.1	-61.9	0	0	0	112.7
478	T	25.6	Very low	29.1	Very low	126 Å²	126	125.2 Å²	125.2	77%	0.773	76%	0.756	S	S	*	*			trans	-116.9	140.7	160.9	43.8	0	0	0	0	110.2
479	P	28.5	Very low	29.6	Very low	128 Å²	128	120.4 Å²	120.4	83%	0.831	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-64.5	154.5	156.6	-17	32.2	0	0	0	110.5
480	S	24.4	Very low	30.3	Very low	118 Å²	118	119 Å²	119	83%	0.825	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-88.7	165.3	-174.4	-67.4	0	0	0	0	113.6
481	S	40.8	Very low	30.8	Very low	121 Å²	121	115.1 Å²	115.1	85%	0.846	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-73.7	117.7	177.9	55.7	0	0	0	0	113.5
482	S	32.5	Very low	32.1	Very low	106 Å²	106	110 Å²	110	74%	0.741	70%	0.696	S	S	*	*			trans	-162.1	130.5	152.5	52.2	0	0	0	0	108.9
483	E	36.7	Very low	32.3	Very low	198 Å²	198	114.4 Å²	114.4	93%	0.925	71%	0.712	S	S	*	*			trans	56.7	106.3	173.4	-57	-172.7	162.7	0	0	116.8
484	M	30.1	Very low	32.6	Very low	183 Å²	183	113.6 Å²	113.6	90%	0.901	70%	0.702	S	S	*	*			trans	-145.4	153.6	160.3	-155.8	151.7	65.6	0	0	109.4
485	G	35.4	Very low	32.9	Very low	49 Å²	49	112.9 Å²	112.9	51%	0.505	69%	0.691	S	S	.	*			trans	-66.6	-177.5	-156.7	0	0	0	0	0	118.6	D487	G485-D487 PolarHBondContact O-N 3.08Å; G485-D487 VanDerWaalsContact O-N 3.17Å
486	P	33	Very low	33.5	Very low	126 Å²	126	111.5 Å²	111.5	82%	0.818	67%	0.666	S	S	*	*	S	Bend	trans	-66.6	-16.3	-170.9	27.4	-34.9	0	0	0	114.8	A488	P486-A488 PolarHBondContact O-N 3.32Å
487	D	35	Very low	33.8	Very low	121 Å²	121	110.3 Å²	110.3	65%	0.647	66%	0.655	S	S	*	*			trans	-81.8	24.7	-166.8	-47.2	-72.6	0	0	0	114.8	G485 V489 V498	G485-D487 PolarHBondContact O-N 3.08Å; G485-D487 VanDerWaalsContact O-N 3.17Å; D487-V489 PolarHBondContact O-N 2.87Å; D487-V498 WeakPolarHBondContact O-CG2 3.44Å
488	A	35.3	Very low	34.2	Very low	51 Å²	51	105.8 Å²	105.8	42%	0.421	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.5	94.5	-178.7	0	0	0	0	0	112.3	P486	P486-A488 PolarHBondContact O-N 3.32Å
489	V	37.2	Very low	34.9	Very low	25 Å²	25	103.9 Å²	103.9	15%	0.152	62%	0.617	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.1	135.9	179.8	-177.5	0	0	0	0	111.7	D487 I491 I496 V498	D487-V489 PolarHBondContact O-N 2.87Å; V489-I491 HydrophobicContact CG1-CG1 4.39Å; V489-I496 PolarHBondContact O-N 2.89Å; V489-V498 HydrophobicContact CG2-CG2 3.8Å
490	I	39	Very low	35.4	Very low	103 Å²	103	103 Å²	103	53%	0.528	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.1	130.2	174.8	-58.9	175.7	0	0	0	109.5	G492 K495	I490-G492 VanDerWaalsContact CG2-O 3.23Å; I490-G492 WeakPolarHBondContact CG2-O 3.18Å; I490-K495 HydrophobicContact CG1-CG 3.92Å
491	I	37.2	Very low	36.1	Very low	74 Å²	74	98.3 Å²	98.3	38%	0.379	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.3	112.8	168.1	-55.8	177.9	0	0	0	107.7	V489 M493 T494 V699	V489-I491 HydrophobicContact CG1-CG1 4.39Å; I491-M493 PolarHBondContact O-N 2.98Å; I491-T494 PolarHBondContact N-O 2.85Å; I491-T494 VanDerWaalsContact N-O 3.12Å; I491-T494 PolarHBondContact O-N 3.33Å; I491-V699 HydrophobicContact CD1-CG1 3.76Å; I491-V699 HydrophobicContact CG1-CG1 4.08Å
492	G	51.3	Low	35.9	Very low	70 Å²	70	95.7 Å²	95.7	72%	0.722	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	-131.7	-169.8	0	0	0	0	0	111.3	I490 T494	I490-G492 VanDerWaalsContact CG2-O 3.23Å; I490-G492 WeakPolarHBondContact CG2-O 3.18Å; G492-T494 VanDerWaalsContact C-N 3.35Å
493	M	29	Very low	36.4	Very low	202 Å²	202	93.6 Å²	93.6	100%	0.995	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.5	175.9	-70.4	-178.3	168.1	0	0	113.9	I491	I491-M493 PolarHBondContact O-N 2.98Å
494	T	30.6	Very low	36.5	Very low	83 Å²	83	86.1 Å²	86.1	51%	0.509	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.5	-170.9	-37	0	0	0	0	111.3	I491 G492 I496	I491-T494 PolarHBondContact N-O 2.85Å; I491-T494 VanDerWaalsContact N-O 3.12Å; I491-T494 PolarHBondContact O-N 3.33Å; G492-T494 VanDerWaalsContact C-N 3.35Å; T494-I496 HydrophobicContact CG2-CD1 3.94Å; T494-I496 HydrophobicContact CG2-CG1 3.58Å
495	K	32.5	Very low	36.9	Very low	157 Å²	157	81.5 Å²	81.5	68%	0.683	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	118.3	161.9	-79	-177.7	176.2	-172.3	0	108.5	I490	I490-K495 HydrophobicContact CG1-CG 3.92Å
496	I	37.6	Very low	36.8	Very low	46 Å²	46	85.6 Å²	85.6	24%	0.236	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.1	179.4	-54.9	179.7	0	0	0	107.3	V489 T494	V489-I496 PolarHBondContact O-N 2.89Å; T494-I496 HydrophobicContact CG2-CD1 3.94Å; T494-I496 HydrophobicContact CG2-CG1 3.58Å
497	P	31.4	Very low	36.9	Very low	80 Å²	80	84.3 Å²	84.3	52%	0.519	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	150.8	176.9	27.4	-34.9	0	0	0	110.8	I499	P497-I499 PolarHBondContact O-N 2.92Å
498	V	35.9	Very low	36.8	Very low	54 Å²	54	84.3 Å²	84.3	33%	0.327	46%	0.464	S	S	.	.			trans	-68.5	103.7	171.5	177.3	0	0	0	0	108.4	D487 V489 E500	D487-V498 WeakPolarHBondContact O-CG2 3.44Å; V489-V498 HydrophobicContact CG2-CG2 3.8Å; V498-E500 VanDerWaalsContact C-N 3.28Å; V498-E500 HydrophobicContact CG1-CG 3.95Å; V498-E500 PolarHBondContact O-N 2.83Å
499	I	38.5	Very low	36.8	Very low	86 Å²	86	87.5 Å²	87.5	44%	0.441	47%	0.474	S	S	.	.			trans	-78.4	84.4	171.7	-53	178.5	0	0	0	108.2	P497	P497-I499 PolarHBondContact O-N 2.92Å
500	E	39	Very low	36.8	Very low	109 Å²	109	90.4 Å²	90.4	51%	0.509	50%	0.495	S	S	.	.			trans	-55.6	163.6	166.4	-58.7	-174.4	144.7	0	0	110.6	V498 P502 F505	V498-E500 VanDerWaalsContact C-N 3.28Å; V498-E500 HydrophobicContact CG1-CG 3.95Å; V498-E500 PolarHBondContact O-N 2.83Å; E500-P502 WeakPolarHBondContact O-CD 2.91Å; E500-F505 HydrophobicContact CB-CB 4.32Å; E500-F505 HydrophobicContact CB-CD2 3.78Å; E500-F505 HydrophobicContact CB-CE2 4.38Å; E500-F505 HydrophobicContact CB-CG 4.08Å
501	N	39.3	Very low	36.7	Very low	20 Å²	20	91.3 Å²	91.3	11%	0.107	50%	0.5	C	S	.	.			trans	-71.3	114.9	-176.6	-170.7	-7.3	0	0	0	110.4	Q503 Y504 F505 R665	N501-Q503 PolarHBondContact O-N 2.85Å; N501-Q503 PolarHBondContact OD1-N 3.07Å; N501-Y504 HydrophobicContact CB-CD2 3.96Å; N501-Y504 HydrophobicContact CB-CG 4.38Å; N501-Y504 WeakPolarHBondContact ND2-CD2 3.5Å; N501-Y504 WeakPolarHBondContact ND2-CE2 3.48Å; N501-Y504 CarbonylContact O-C 3.54Å; N501-Y504 WeakPolarHBondContact O-CA 3.22Å; N501-Y504 PolarHBondContact O-N 2.89Å; N501-F505 PolarHBondContact O-N 2.82Å; N501-R665 VanDerWaalsContact CG-CZ 3.41Å; N501-R665 PolarHBondContact ND2-NE 3.15Å; N501-R665 PolarHBondContact OD1-NH2 2.99Å
502	P	37.3	Very low	36.8	Very low	67 Å²	67	92 Å²	92	44%	0.435	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.1	-174.3	-24.4	36.3	0	0	0	113.9	E500 R506 R665	E500-P502 WeakPolarHBondContact O-CD 2.91Å; P502-R506 WeakPolarHBondContact O-CB 3.26Å; P502-R506 WeakPolarHBondContact O-CG 3.27Å; P502-R506 PolarHBondContact O-N 3.19Å; P502-R665 VanDerWaalsContact CD-NH2 3.3Å
503	Q	42.1	Very low	36.3	Very low	62 Å²	62	96.6 Å²	96.6	29%	0.29	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-25.2	173.4	-55.6	-65.9	27.8	0	0	113.2	N501 H661	N501-Q503 PolarHBondContact O-N 2.85Å; N501-Q503 PolarHBondContact OD1-N 3.07Å; Q503-H661 PolarHBondContact NE2-O 2.9Å
504	Y	38.9	Very low	36.9	Very low	41 Å²	41	92.7 Å²	92.7	16%	0.161	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-7.7	175.5	-72.3	-118.7	0	0	0	112.6	N501 R575 L579 F662 D684	N501-Y504 HydrophobicContact CB-CD2 3.96Å; N501-Y504 HydrophobicContact CB-CG 4.38Å; N501-Y504 WeakPolarHBondContact ND2-CD2 3.5Å; N501-Y504 WeakPolarHBondContact ND2-CE2 3.48Å; N501-Y504 CarbonylContact O-C 3.54Å; N501-Y504 WeakPolarHBondContact O-CA 3.22Å; N501-Y504 PolarHBondContact O-N 2.89Å; Y504-R575 WeakPolarHBondContact O-CD 3.31Å; Y504-R575 PolarHBondContact O-NE 3.27Å; Y504-R575 PolarHBondContact O-NH1 3.38Å; Y504-L579 HydrophobicContact CD1-CD1 3.75Å; Y504-L579 HydrophobicContact CD2-CD1 3.87Å; Y504-L579 HydrophobicContact CE1-CD1 4.05Å; Y504-L579 HydrophobicContact CE2-CD1 4.15Å; Y504-L579 HydrophobicContact CG-CD1 3.69Å; Y504-F662 AromaticContact CE2-CE2 3.86Å; Y504-F662 HydrophobicContact CE2-CE2 3.86Å; Y504-F662 AromaticContact CE2-CZ 3.98Å; Y504-F662 HydrophobicContact CE2-CZ 3.98Å; Y504-F662 WeakPolarHBondContact OH-CZ 3.38Å; Y504-D684 PolarHBondContact OH-OD2 3.33Å
505	F	39.3	Very low	37.6	Very low	86 Å²	86	92 Å²	92	38%	0.377	49%	0.485	S	S	.	.	S	Bend	trans	-137.4	16.5	-175.6	-66.6	-84.8	0	0	0	113.6	E500 N501 S507	E500-F505 HydrophobicContact CB-CB 4.32Å; E500-F505 HydrophobicContact CB-CD2 3.78Å; E500-F505 HydrophobicContact CB-CE2 4.38Å; E500-F505 HydrophobicContact CB-CG 4.08Å; N501-F505 PolarHBondContact O-N 2.82Å; F505-S507 PolarHBondContact O-N 2.91Å
506	R	34.2	Very low	38.7	Very low	135 Å²	135	86 Å²	86	51%	0.509	46%	0.462	S	S	.	.			trans	-70.1	126.9	175.3	-125.7	-175.8	168.4	171.4	-1	111.8	P502 T508 N509 S510	P502-R506 WeakPolarHBondContact O-CB 3.26Å; P502-R506 WeakPolarHBondContact O-CG 3.27Å; P502-R506 PolarHBondContact O-N 3.19Å; R506-T508 PolarHBondContact O-N 2.65Å; R506-N509 PolarHBondContact NE-O 2.86Å; R506-N509 PolarHBondContact NH1-O 2.95Å; R506-S510 PolarHBondContact NH1-O 2.91Å
507	S	33.7	Very low	40.3	Very low	99 Å²	99	91.3 Å²	91.3	69%	0.692	48%	0.483	S	S	*	.			trans	-70.5	114.1	158.9	-50.6	0	0	0	0	110.4	F505 N509	F505-S507 PolarHBondContact O-N 2.91Å; S507-N509 VanDerWaalsContact C-N 3.27Å; S507-N509 PolarHBondContact O-N 3.32Å
508	T	34.3	Very low	42.8	Very low	121 Å²	121	88.4 Å²	88.4	74%	0.742	46%	0.464	S	S	*	.	S	Bend	trans	55.1	-6	146.8	55.7	0	0	0	0	121.7	R506	R506-T508 PolarHBondContact O-N 2.65Å
509	N	35.6	Very low	45.3	Very low	118 Å²	118	90.1 Å²	90.1	63%	0.631	47%	0.469	S	S	*	.			trans	-125.2	104.1	-177.5	-86.9	-71.2	0	0	0	114.9	R506 S507	R506-N509 PolarHBondContact NE-O 2.86Å; R506-N509 PolarHBondContact NH1-O 2.95Å; S507-N509 VanDerWaalsContact C-N 3.27Å; S507-N509 PolarHBondContact O-N 3.32Å
510	S	36.2	Very low	47.6	Very low	86 Å²	86	91.2 Å²	91.2	60%	0.601	47%	0.472	S	S	*	.	S	Bend	trans	64.1	108.8	164.2	-168.2	0	0	0	0	117.9	R506	R506-S510 PolarHBondContact NH1-O 2.91Å
511	L	37.1	Very low	50	Low	121 Å²	121	86.5 Å²	86.5	63%	0.634	45%	0.45	S	S	*	.	S	Bend		-180	-10.9	105.3	-118.8	124.3	0	0	0	113.9
512	L	40.2	Very low	52.3	Low	89 Å²	89	90.3 Å²	90.3	47%	0.466	47%	0.465	S	S	.	.	S	Bend	trans	-77.7	151.8	170.8	-67.4	161.9	0	0	0	111	L579	L512-L579 HydrophobicContact CD1-CD2 3.83Å; L512-L579 HydrophobicContact CD1-CG 4.44Å; L512-L579 HydrophobicContact CD2-CD2 4.23Å
513	K	39.1	Very low	54.6	Low	167 Å²	167	90.9 Å²	90.9	73%	0.726	46%	0.459	S	S	*	.			trans	-68	133.6	175.8	-66.3	178.2	-176.4	174.4	0	109.7	D515 T516	K513-D515 PolarHBondContact O-N 2.02Å; K513-T516 PolarHBondContact O-OG1 2.81Å
514	T	42.2	Very low	56.7	Low	120 Å²	120	94.9 Å²	94.9	74%	0.736	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	11	177.5	47.3	0	0	0	0	115	R108	R108-T514 PolarHBondContact NH1-O 2.84Å
515	D	45.8	Very low	59.1	Low	67 Å²	67	94.1 Å²	94.1	36%	0.358	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	2.3	-166.2	-84.2	58.1	0	0	0	112.9	R108 K513 F517	R108-D515 IonicContact CZ-OD1 3.74Å; R108-D515 IonicContact CZ-OD2 3.97Å; R108-D515 VanDerWaalsContact NE-CG 3.33Å; R108-D515 IonicContact NE-OD1 2.77Å; R108-D515 PolarHBondContact NE-OD1 3.32Å; R108-D515 IonicContact NE-OD2 3.42Å; R108-D515 PolarHBondContact NE-OD2 3.11Å; R108-D515 IonicContact NH1-OD1 2.72Å; R108-D515 IonicContact NH2-OD1 2.73Å; R108-D515 IonicContact NH2-OD2 3.75Å; R108-D515 PolarHBondContact NH2-OD2 2.93Å; K513-D515 PolarHBondContact O-N 2.02Å; D515-F517 PolarHBondContact O-N 2.84Å
516	T	55.7	Low	61.6	Low	33 Å²	33	91 Å²	91	20%	0.202	46%	0.463	C	S	.	.			trans	-64.5	96	-179.2	-53.4	0	0	0	0	111.8	K513 V518 T581 N582	K513-T516 PolarHBondContact O-OG1 2.81Å; T516-V518 PolarHBondContact O-N 3.07Å; T516-T581 HydrophobicContact CG2-CG2 3.54Å; T516-N582 VanDerWaalsContact CG2-ND2 3.28Å; T516-N582 WeakPolarHBondContact CG2-ND2 3.25Å; T516-N582 VanDerWaalsContact OG1-CG 3.28Å; T516-N582 PolarHBondContact OG1-ND2 2.97Å; T516-N582 PolarHBondContact OG1-OD1 3.17Å
517	F	71.4	Confident	64.3	Low	156 Å²	156	86.5 Å²	86.5	68%	0.684	45%	0.451	S	S	*	.			trans	-80	101.1	172.4	-177	-98	0	0	0	110.1	D515 Q519	D515-F517 PolarHBondContact O-N 2.84Å; F517-Q519 PolarHBondContact O-N 2.95Å
518	V	83.4	Confident	67	Low	20 Å²	20	85.7 Å²	85.7	12%	0.121	44%	0.438	C	S	.	.			trans	-64.9	121.9	169.5	-176.1	0	0	0	0	108.3	T516 H520 A577 E578 F591 V594	T516-V518 PolarHBondContact O-N 3.07Å; V518-H520 PolarHBondContact O-CD2 3.34Å; V518-H520 VanDerWaalsContact O-CD2 3.27Å; V518-H520 PolarHBondContact O-N 2.84Å; V518-A577 HydrophobicContact CG1-CB 4.01Å; V518-A577 HydrophobicContact CG2-CB 4.41Å; V518-E578 HydrophobicContact CG2-CG 3.92Å; V518-F591 HydrophobicContact CG1-CE1 4.3Å; V518-V594 HydrophobicContact CG1-CG1 4.02Å; V518-V594 HydrophobicContact CG1-CG2 3.87Å
519	Q	87.4	Confident	69.5	Low	90 Å²	90	81.8 Å²	81.8	42%	0.421	41%	0.411	S	S	.	.			trans	-69	123.8	179.9	176.6	167.7	-15.4	0	0	110.6	F517 I521 Y592 G593 V594	F517-Q519 PolarHBondContact O-N 2.95Å; Q519-I521 HydrophobicContact CG-CG1 4.34Å; Q519-Y592 WeakPolarHBondContact CB-O 3.43Å; Q519-G593 CarbonylContact O-C 3.59Å; Q519-G593 WeakPolarHBondContact O-CA 3.47Å; Q519-V594 PolarHBondContact O-N 3.24Å
520	H	88.6	Confident	71.9	Confident	109 Å²	109	82.9 Å²	82.9	51%	0.505	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-91	114.4	175.6	-77.7	-99.6	0	0	0	110.3	V518 V594	V518-H520 PolarHBondContact O-CD2 3.34Å; V518-H520 VanDerWaalsContact O-CD2 3.27Å; V518-H520 PolarHBondContact O-N 2.84Å; H520-V594 CarbonylContact C-O 3.59Å; H520-V594 WeakPolarHBondContact CA-O 3.32Å
521	I	89	Confident	74.3	Confident	10 Å²	10	82.6 Å²	82.6	5%	0.051	40%	0.395	C	S	.	.			trans	-96.7	133.5	179.9	-58.4	167.5	0	0	0	108.8	Q519 N525 I526 L548 V594 C595 V604	Q519-I521 HydrophobicContact CG-CG1 4.34Å; I521-N525 HydrophobicContact CG2-CB 4.48Å; I521-I526 HydrophobicContact CB-CD1 4.42Å; I521-I526 HydrophobicContact CG2-CD1 3.78Å; I521-I526 HydrophobicContact CG2-CG1 3.83Å; I521-L548 HydrophobicContact CD1-CD1 3.72Å; I521-L548 HydrophobicContact CG1-CD1 4.1Å; I521-V594 PolarHBondContact N-O 3.49Å; I521-C595 VanDerWaalsContact O-CB 3.24Å; I521-C595 WeakPolarHBondContact O-CB 3.27Å; I521-C595 PolarHBondContact O-SG 3.1Å; I521-V604 HydrophobicContact CD1-CB 3.69Å; I521-V604 HydrophobicContact CD1-CG1 4.14Å; I521-V604 HydrophobicContact CD1-CG2 3.64Å
522	K	86.4	Confident	76.5	Confident	99 Å²	99	80 Å²	80	43%	0.43	38%	0.382	S	S	.	.			trans	-72.8	139.6	-179.7	-67.6	-61.5	-175.3	173.1	0	112	H524 N525 E597	K522-H524 VanDerWaalsContact C-N 3.31Å; K522-H524 WeakPolarHBondContact CB-NE2 3.4Å; K522-H524 PolarHBondContact O-N 2.99Å; K522-N525 WeakPolarHBondContact O-CB 3.46Å; K522-N525 PolarHBondContact O-N 3.21Å; K522-E597 WeakPolarHBondContact CA-OE2 3.15Å; K522-E597 WeakPolarHBondContact CD-OE1 3.3Å; K522-E597 WeakPolarHBondContact CD-OE2 3.34Å; K522-E597 WeakPolarHBondContact CE-OE1 3.37Å; K522-E597 IonicContact NZ-OE1 2.8Å; K522-E597 PolarHBondContact NZ-OE1 2.87Å
523	R	87.1	Confident	78.1	Confident	79 Å²	79	76.8 Å²	76.8	30%	0.298	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-61.6	-39.6	-175.5	-159.9	174.6	-174.6	97.6	3.1	112.3	N525 I526 E597 S598 D599 P600	R523-N525 PolarHBondContact O-N 3.31Å; R523-I526 PolarHBondContact O-N 2.86Å; R523-E597 PolarHBondContact N-OE2 2.95Å; R523-S598 WeakPolarHBondContact CD-OG 3.49Å; R523-S598 VanDerWaalsContact CZ-OG 3.28Å; R523-S598 PolarHBondContact NE-OG 2.74Å; R523-S598 PolarHBondContact NH1-O 3.02Å; R523-S598 PolarHBondContact NH1-OG 3.21Å; R523-S598 VanDerWaalsContact NH1-OG 3.13Å; R523-D599 PolarHBondContact NH2-O 3.02Å; R523-P600 PolarHBondContact NH1-O 2.82Å; R523-P600 VanDerWaalsContact NH1-O 3.14Å
524	H	85.8	Confident	79.6	Confident	146 Å²	146	72.4 Å²	72.4	68%	0.676	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-67.1	-14.8	176	55.7	-112.5	0	0	0	114.5	K522 I526	K522-H524 VanDerWaalsContact C-N 3.31Å; K522-H524 WeakPolarHBondContact CB-NE2 3.4Å; K522-H524 PolarHBondContact O-N 2.99Å; H524-I526 VanDerWaalsContact C-N 3.31Å
525	N	88.6	Confident	80.6	Confident	26 Å²	26	66.9 Å²	66.9	14%	0.139	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-80.5	-11.3	171.1	-75.3	-11.1	0	0	0	112.3	I521 K522 R523 C545 Y546 N547	I521-N525 HydrophobicContact CG2-CB 4.48Å; K522-N525 WeakPolarHBondContact O-CB 3.46Å; K522-N525 PolarHBondContact O-N 3.21Å; R523-N525 PolarHBondContact O-N 3.31Å; N525-C545 CarbonylContact O-C 3.5Å; N525-C545 VanDerWaalsContact O-CA 3.27Å; N525-C545 WeakPolarHBondContact O-CA 3.33Å; N525-Y546 WeakPolarHBondContact CB-O 3.26Å; N525-Y546 PolarHBondContact ND2-O 3.35Å; N525-Y546 PolarHBondContact O-N 2.86Å; N525-N547 PolarHBondContact OD1-ND2 3.17Å
526	I	91.5	Very high	81.2	Confident	19 Å²	19	66.7 Å²	66.7	10%	0.097	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	104.6	-172	-55.7	174.9	0	0	0	110	I521 R523 H524 L528 A543 V559 C595 I602 V604	I521-I526 HydrophobicContact CB-CD1 4.42Å; I521-I526 HydrophobicContact CG2-CD1 3.78Å; I521-I526 HydrophobicContact CG2-CG1 3.83Å; R523-I526 PolarHBondContact O-N 2.86Å; H524-I526 VanDerWaalsContact C-N 3.31Å; I526-L528 HydrophobicContact CG2-CD2 4.12Å; I526-A543 HydrophobicContact CG2-CB 4.11Å; I526-V559 HydrophobicContact CG2-CG2 3.72Å; I526-C595 HydrophobicContact CD1-CB 3.89Å; I526-I602 HydrophobicContact CD1-CG2 3.92Å; I526-V604 HydrophobicContact CD1-CG2 3.87Å
527	V	90.6	Very high	81.6	Confident	42 Å²	42	69.9 Å²	69.9	26%	0.255	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	103.3	178.1	-175.9	0	0	0	0	109.7	K529 A543 E544 Y546	V527-K529 HydrophobicContact CG1-CD 4.25Å; V527-A543 CarbonylContact O-C 3.6Å; V527-A543 WeakPolarHBondContact O-CA 3.49Å; V527-A543 VanDerWaalsContact O-CB 3.3Å; V527-A543 WeakPolarHBondContact O-CB 3.25Å; V527-E544 PolarHBondContact N-O 3.07Å; V527-E544 PolarHBondContact O-N 2.82Å; V527-Y546 HydrophobicContact CG2-CD2 4.29Å; V527-Y546 HydrophobicContact CG2-CE2 3.86Å
528	L	90.7	Very high	81.6	Confident	82 Å²	82	62.7 Å²	62.7	43%	0.429	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	136.7	176.5	-53.1	-176.3	0	0	0	110.5	I526 F541 A543 V559	I526-L528 HydrophobicContact CG2-CD2 4.12Å; L528-F541 HydrophobicContact CD1-CD2 4.44Å; L528-F541 HydrophobicContact CD1-CG 4.43Å; L528-F541 HydrophobicContact CD2-CB 4.11Å; L528-F541 HydrophobicContact CD2-CG 4.44Å; L528-A543 HydrophobicContact CD2-CB 3.95Å; L528-V559 HydrophobicContact CD2-CB 4.12Å; L528-V559 HydrophobicContact CD2-CG1 3.82Å; L528-V559 HydrophobicContact CD2-CG2 4.35Å
529	K	88.3	Confident	81.6	Confident	38 Å²	38	64.6 Å²	64.6	17%	0.165	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	-51.1	-178.7	-60.7	-58.3	-174	-178.9	0	113.2	D309 V527 L542 E544	D309-K529 IonicContact OD1-NZ 2.69Å; D309-K529 PolarHBondContact OD1-NZ 3.03Å; D309-K529 IonicContact OD2-NZ 2.97Å; D309-K529 PolarHBondContact OD2-NZ 3.26Å; V527-K529 HydrophobicContact CG1-CD 4.25Å; K529-L542 PolarHBondContact N-O 3.31Å; K529-E544 VanDerWaalsContact CE-CD 3.41Å; K529-E544 WeakPolarHBondContact CE-OE2 3.46Å; K529-E544 HydrophobicContact CG-CG 4.25Å; K529-E544 IonicContact NZ-OE2 2.63Å; K529-E544 PolarHBondContact NZ-OE2 3.23Å; K529-E544 VanDerWaalsContact NZ-OE2 3.11Å
530	R	85.6	Confident	81.5	Confident	141 Å²	141	60.6 Å²	60.6	53%	0.532	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	155.7	175.9	65.6	171	-176.2	159.5	3.1	112.8	F541 L542 Y607	R530-F541 CarbonylContact O-C 3.57Å; R530-F541 VanDerWaalsContact O-CA 3.25Å; R530-F541 WeakPolarHBondContact O-CA 3.36Å; R530-L542 HydrophobicContact CG-CB 3.87Å; R530-L542 HydrophobicContact CG-CD2 4.16Å; R530-L542 PolarHBondContact N-O 3.29Å; R530-L542 PolarHBondContact O-N 3.44Å; R530-Y607 PolarHBondContact NH2-OH 2.58Å
531	E	86.9	Confident	81.6	Confident	81 Å²	81	57.2 Å²	57.2	38%	0.379	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	140.1	169.2	-162.7	165.2	145.4	0	0	110.8	K539 F541	E531-K539 WeakPolarHBondContact OE1-CD 3.28Å; E531-K539 WeakPolarHBondContact OE1-CE 3.36Å; E531-K539 IonicContact OE1-NZ 2.68Å; E531-K539 PolarHBondContact OE1-NZ 3.25Å; E531-K539 WeakPolarHBondContact OE2-CD 3.38Å; E531-K539 IonicContact OE2-NZ 2.88Å; E531-K539 PolarHBondContact OE2-NZ 3.42Å; E531-F541 HydrophobicContact CB-CD1 4Å; E531-F541 HydrophobicContact CB-CE1 3.95Å; E531-F541 HydrophobicContact CG-CD1 4.3Å; E531-F541 HydrophobicContact CG-CE1 4.05Å
532	L	82.2	Confident	81.7	Confident	65 Å²	65	57.6 Å²	57.6	34%	0.34	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-26.2	175	-65.6	175.3	0	0	0	111.9	V540 L542 Y607	L532-V540 PolarHBondContact N-O 2.88Å; L532-L542 HydrophobicContact CD1-CB 4.05Å; L532-L542 HydrophobicContact CD2-CB 4.12Å; L532-L542 HydrophobicContact CG-CB 4.06Å; L532-Y607 HydrophobicContact CD1-CD2 4.13Å; L532-Y607 HydrophobicContact CD1-CE2 3.88Å; L532-Y607 HydrophobicContact CD2-CE2 4.19Å
533	G	73.8	Confident	82.1	Confident	23 Å²	23	52.9 Å²	52.9	24%	0.237	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.3	164.7	173.1	0	0	0	0	0	113	V540	G533-V540 PolarHBondContact N-O 3.22Å; G533-V540 PolarHBondContact O-N 2.99Å
534	E	70.9	Confident	82.4	Confident	74 Å²	74	50.6 Å²	50.6	35%	0.346	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	146.3	170	-173.1	171.9	123.3	0	0	109.5	K539 K563	E534-K539 HydrophobicContact CB-CG 4.15Å; E534-K539 HydrophobicContact CG-CG 3.95Å; E534-K539 WeakPolarHBondContact OE2-CE 3.5Å; E534-K539 IonicContact OE2-NZ 2.65Å; E534-K563 IonicContact OE1-NZ 3.88Å; E534-K563 PolarHBondContact OE1-NZ 3.11Å; E534-K563 WeakPolarHBondContact OE2-CE 3.4Å; E534-K563 IonicContact OE2-NZ 2.87Å; E534-K563 PolarHBondContact OE2-NZ 2.91Å
535	G	63.6	Low	82.8	Confident	4 Å²	4	43.7 Å²	43.7	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	177.2	170.8	0	0	0	0	0	111.9	F537 G538 D690	G535-F537 PolarHBondContact O-N 3.39Å; G535-G538 PolarHBondContact N-O 2.85Å; G535-G538 PolarHBondContact O-N 3.36Å; G535-G538 VanDerWaalsContact O-O 3.1Å; G535-D690 VanDerWaalsContact CA-OD2 3.29Å; G535-D690 WeakPolarHBondContact CA-OD2 3.36Å
536	A	58.7	Low	82.8	Confident	64 Å²	64	45.6 Å²	45.6	53%	0.529	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-15.1	-172	0	0	0	0	0	116.9	R689	A536-R689 HydrophobicContact CB-CB 4.44Å
537	F	62.1	Low	82.6	Confident	99 Å²	99	50.4 Å²	50.4	43%	0.434	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-9.2	178.3	-59.4	-73.7	0	0	0	113.9	G535 K563	G535-F537 PolarHBondContact O-N 3.39Å; F537-K563 PolarHBondContact O-N 2.92Å
538	G	72.9	Confident	82.3	Confident	6 Å²	6	49.4 Å²	49.4	6%	0.062	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141	-165.8	-179.8	0	0	0	0	0	113.7	G535 T561	G535-G538 PolarHBondContact N-O 2.85Å; G535-G538 PolarHBondContact O-N 3.36Å; G535-G538 VanDerWaalsContact O-O 3.1Å; G538-T561 WeakPolarHBondContact CA-O 3.34Å
539	K	82.5	Confident	81.6	Confident	60 Å²	60	47.2 Å²	47.2	26%	0.261	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	146.8	-174.3	-71.9	-172.2	163.2	-145.7	0	112.3	E531 E534 F541 T561	E531-K539 WeakPolarHBondContact OE1-CD 3.28Å; E531-K539 WeakPolarHBondContact OE1-CE 3.36Å; E531-K539 IonicContact OE1-NZ 2.68Å; E531-K539 PolarHBondContact OE1-NZ 3.25Å; E531-K539 WeakPolarHBondContact OE2-CD 3.38Å; E531-K539 IonicContact OE2-NZ 2.88Å; E531-K539 PolarHBondContact OE2-NZ 3.42Å; E534-K539 HydrophobicContact CB-CG 4.15Å; E534-K539 HydrophobicContact CG-CG 3.95Å; E534-K539 WeakPolarHBondContact OE2-CE 3.5Å; E534-K539 IonicContact OE2-NZ 2.65Å; K539-F541 HydrophobicContact CB-CD2 4.37Å; K539-F541 HydrophobicContact CB-CE2 3.52Å; K539-F541 HydrophobicContact CB-CZ 3.74Å; K539-F541 HydrophobicContact CD-CZ 3.93Å; K539-F541 HydrophobicContact CG-CZ 4.49Å; K539-T561 PolarHBondContact N-OG1 2.79Å; K539-T561 PolarHBondContact O-N 2.89Å; K539-T561 PolarHBondContact O-OG1 2.65Å
540	V	86.4	Confident	81	Confident	5 Å²	5	51.6 Å²	51.6	3%	0.03	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.7	172.8	-176.3	0	0	0	0	110.4	L532 G533 A558 V559 K560 M687	L532-V540 PolarHBondContact N-O 2.88Å; G533-V540 PolarHBondContact N-O 3.22Å; G533-V540 PolarHBondContact O-N 2.99Å; V540-A558 HydrophobicContact CG1-CB 4.41Å; V540-V559 CarbonylContact C-O 3.58Å; V540-V559 VanDerWaalsContact CA-O 3.26Å; V540-V559 WeakPolarHBondContact CA-O 3.3Å; V540-K560 HydrophobicContact CG2-CB 4.05Å; V540-K560 HydrophobicContact CG2-CG 4.29Å; V540-M687 HydrophobicContact CB-CG 4Å; V540-M687 HydrophobicContact CB-SD 3.56Å; V540-M687 VanDerWaalsContact CB-SD 3.56Å; V540-M687 HydrophobicContact CG1-SD 3.72Å; V540-M687 HydrophobicContact CG2-CG 3.39Å; V540-M687 HydrophobicContact CG2-SD 3.6Å; V540-M687 VanDerWaalsContact CG2-SD 3.6Å
541	F	89.4	Confident	80.5	Confident	38 Å²	38	51.9 Å²	51.9	17%	0.167	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.9	-176.8	-59.9	-89.6	0	0	0	111.3	L528 R530 E531 K539 A558 V559 T561	L528-F541 HydrophobicContact CD1-CD2 4.44Å; L528-F541 HydrophobicContact CD1-CG 4.43Å; L528-F541 HydrophobicContact CD2-CB 4.11Å; L528-F541 HydrophobicContact CD2-CG 4.44Å; R530-F541 CarbonylContact O-C 3.57Å; R530-F541 VanDerWaalsContact O-CA 3.25Å; R530-F541 WeakPolarHBondContact O-CA 3.36Å; E531-F541 HydrophobicContact CB-CD1 4Å; E531-F541 HydrophobicContact CB-CE1 3.95Å; E531-F541 HydrophobicContact CG-CD1 4.3Å; E531-F541 HydrophobicContact CG-CE1 4.05Å; K539-F541 HydrophobicContact CB-CD2 4.37Å; K539-F541 HydrophobicContact CB-CE2 3.52Å; K539-F541 HydrophobicContact CB-CZ 3.74Å; K539-F541 HydrophobicContact CD-CZ 3.93Å; K539-F541 HydrophobicContact CG-CZ 4.49Å; F541-A558 CarbonylContact O-C 3.21Å; F541-A558 WeakPolarHBondContact O-CA 3.35Å; F541-V559 PolarHBondContact N-O 2.81Å; F541-V559 PolarHBondContact O-N 2.79Å; F541-T561 HydrophobicContact CD2-CG2 3.99Å; F541-T561 HydrophobicContact CE2-CG2 3.82Å
542	L	92.3	Very high	80	Confident	19 Å²	19	53.2 Å²	53.2	10%	0.099	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	131.7	156.6	176.2	57.8	0	0	0	107.8	K529 R530 L532 L556 Y607	K529-L542 PolarHBondContact N-O 3.31Å; R530-L542 HydrophobicContact CG-CB 3.87Å; R530-L542 HydrophobicContact CG-CD2 4.16Å; R530-L542 PolarHBondContact N-O 3.29Å; R530-L542 PolarHBondContact O-N 3.44Å; L532-L542 HydrophobicContact CD1-CB 4.05Å; L532-L542 HydrophobicContact CD2-CB 4.12Å; L532-L542 HydrophobicContact CG-CB 4.06Å; L542-L556 HydrophobicContact CD1-CB 4.29Å; L542-L556 HydrophobicContact CD1-CD2 4.04Å; L542-Y607 HydrophobicContact CD1-CD1 3.74Å; L542-Y607 HydrophobicContact CD1-CD2 3.62Å; L542-Y607 HydrophobicContact CD1-CE1 3.91Å; L542-Y607 HydrophobicContact CD1-CE2 3.8Å; L542-Y607 HydrophobicContact CD1-CG 3.58Å; L542-Y607 HydrophobicContact CD2-CE1 4.35Å; L542-Y607 HydrophobicContact CD2-CE2 4.46Å
543	A	94.3	Very high	79.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	161.3	176	0	0	0	0	0	111.5	I526 V527 L528 L556 V557 V559	I526-A543 HydrophobicContact CG2-CB 4.11Å; V527-A543 CarbonylContact O-C 3.6Å; V527-A543 WeakPolarHBondContact O-CA 3.49Å; V527-A543 VanDerWaalsContact O-CB 3.3Å; V527-A543 WeakPolarHBondContact O-CB 3.25Å; L528-A543 HydrophobicContact CD2-CB 3.95Å; A543-L556 WeakPolarHBondContact O-CA 3.29Å; A543-V557 HydrophobicContact CB-CG2 3.89Å; A543-V557 PolarHBondContact N-O 2.87Å; A543-V557 PolarHBondContact O-N 2.83Å; A543-V559 HydrophobicContact CB-CB 4.42Å; A543-V559 HydrophobicContact CB-CG2 3.72Å
544	E	93.9	Very high	80.3	Confident	31 Å²	31	60.9 Å²	60.9	15%	0.145	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.3	162	-65.4	-173.5	136	0	0	108.4	V527 K529 Y546 K554 I555 L556	V527-E544 PolarHBondContact N-O 3.07Å; V527-E544 PolarHBondContact O-N 2.82Å; K529-E544 VanDerWaalsContact CE-CD 3.41Å; K529-E544 WeakPolarHBondContact CE-OE2 3.46Å; K529-E544 HydrophobicContact CG-CG 4.25Å; K529-E544 IonicContact NZ-OE2 2.63Å; K529-E544 PolarHBondContact NZ-OE2 3.23Å; K529-E544 VanDerWaalsContact NZ-OE2 3.11Å; E544-Y546 HydrophobicContact CB-CE2 4.27Å; E544-K554 HydrophobicContact CB-CD 4.39Å; E544-K554 HydrophobicContact CG-CD 4.43Å; E544-K554 VanDerWaalsContact OE1-CE 3.3Å; E544-K554 WeakPolarHBondContact OE1-CE 3.21Å; E544-K554 IonicContact OE1-NZ 2.67Å; E544-K554 PolarHBondContact OE1-NZ 2.96Å; E544-K554 IonicContact OE2-NZ 3.99Å; E544-K554 PolarHBondContact OE2-NZ 2.77Å; E544-I555 CarbonylContact C-O 3.59Å; E544-I555 WeakPolarHBondContact CA-O 3.36Å; E544-L556 HydrophobicContact CG-CD2 3.8Å
545	C	92.8	Very high	81.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.7	175.1	-165.1	0	0	0	0	110.4	N525 L548 K554 I555 V557	N525-C545 CarbonylContact O-C 3.5Å; N525-C545 VanDerWaalsContact O-CA 3.27Å; N525-C545 WeakPolarHBondContact O-CA 3.33Å; C545-L548 HydrophobicContact CB-CB 4.4Å; C545-L548 HydrophobicContact CB-CD2 3.93Å; C545-K554 CarbonylContact O-C 3.6Å; C545-K554 WeakPolarHBondContact O-CA 3.4Å; C545-I555 PolarHBondContact N-O 2.87Å; C545-I555 PolarHBondContact O-N 2.83Å; C545-V557 HydrophobicContact CB-CB 4.39Å; C545-V557 HydrophobicContact CB-CG1 3.71Å; C545-V557 HydrophobicContact CB-CG2 3.72Å
546	Y	90.1	Very high	82.8	Confident	66 Å²	66	62.4 Å²	62.4	26%	0.259	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	153.6	178.6	-69.9	-99.7	0	0	0	111.7	N525 V527 E544 L548 E553 K554	N525-Y546 WeakPolarHBondContact CB-O 3.26Å; N525-Y546 PolarHBondContact ND2-O 3.35Å; N525-Y546 PolarHBondContact O-N 2.86Å; V527-Y546 HydrophobicContact CG2-CD2 4.29Å; V527-Y546 HydrophobicContact CG2-CE2 3.86Å; E544-Y546 HydrophobicContact CB-CE2 4.27Å; Y546-L548 PolarHBondContact O-N 3.02Å; Y546-L548 VanDerWaalsContact O-N 3.11Å; Y546-E553 WeakPolarHBondContact CA-O 3.25Å; Y546-E553 HydrophobicContact CD1-CG 4.49Å; Y546-K554 HydrophobicContact CD1-CB 3.9Å; Y546-K554 HydrophobicContact CD2-CB 4.4Å; Y546-K554 HydrophobicContact CE1-CB 3.93Å; Y546-K554 HydrophobicContact CE1-CD 4.01Å; Y546-K554 HydrophobicContact CE1-CG 4.41Å; Y546-K554 HydrophobicContact CE2-CB 4.4Å; Y546-K554 HydrophobicContact CE2-CD 4.41Å; Y546-K554 HydrophobicContact CG-CB 4.15Å
547	N	85.8	Confident	84.5	Confident	120 Å²	120	59.3 Å²	59.3	64%	0.642	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.2	27.7	175.8	-53.7	-64.6	0	0	0	114.4	N525 E553	N525-N547 PolarHBondContact OD1-ND2 3.17Å; N547-E553 PolarHBondContact N-O 3.22Å; N547-E553 VanDerWaalsContact N-O 3.16Å
548	L	84.5	Confident	86	Confident	22 Å²	22	55 Å²	55	12%	0.115	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-28	-175.6	-168.8	63.5	0	0	0	113.1	I521 C545 Y546 I555 V557 Y592	I521-L548 HydrophobicContact CD1-CD1 3.72Å; I521-L548 HydrophobicContact CG1-CD1 4.1Å; C545-L548 HydrophobicContact CB-CB 4.4Å; C545-L548 HydrophobicContact CB-CD2 3.93Å; Y546-L548 PolarHBondContact O-N 3.02Å; Y546-L548 VanDerWaalsContact O-N 3.11Å; L548-I555 HydrophobicContact CB-CD1 4.33Å; L548-V557 HydrophobicContact CD2-CG1 3.77Å; L548-Y592 HydrophobicContact CD2-CD1 4.4Å; L548-Y592 HydrophobicContact CD2-CD2 3.7Å; L548-Y592 HydrophobicContact CD2-CE2 4.04Å; L548-Y592 HydrophobicContact CD2-CG 3.89Å
549	S	77.6	Confident	86.9	Confident	35 Å²	35	54.8 Å²	54.8	25%	0.245	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145.5	171.3	176.3	0	0	0	0	108.9	D551	S549-D551 PolarHBondContact O-N 3.28Å; S549-D551 PolarHBondContact OG-N 3.45Å
550	P	74.4	Confident	87.2	Confident	131 Å²	131	52.8 Å²	52.8	85%	0.851	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.2	171.4	28.4	-36.2	0	0	0	113.1
551	D	76.1	Confident	87.2	Confident	146 Å²	146	53.2 Å²	53.2	78%	0.781	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-9.3	-174.2	-55.5	-53.5	0	0	0	113.7	S549	S549-D551 PolarHBondContact O-N 3.28Å; S549-D551 PolarHBondContact OG-N 3.45Å
552	Q	75.4	Confident	86.7	Confident	110 Å²	110	52.4 Å²	52.4	51%	0.514	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	119.7	-173.9	-66.6	-174.7	-44	0	0	111.7	K554 I555	Q552-K554 VanDerWaalsContact C-N 3.28Å; Q552-K554 PolarHBondContact O-N 3.36Å; Q552-I555 HydrophobicContact CB-CD1 4.28Å; Q552-I555 HydrophobicContact CB-CG1 3.97Å
553	E	77.6	Confident	85.4	Confident	157 Å²	157	57.4 Å²	57.4	73%	0.734	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.3	-43	178.9	-176.7	-177.8	-174.2	0	0	112.6	Y546 N547	Y546-E553 WeakPolarHBondContact CA-O 3.25Å; Y546-E553 HydrophobicContact CD1-CG 4.49Å; N547-E553 PolarHBondContact N-O 3.22Å; N547-E553 VanDerWaalsContact N-O 3.16Å
554	K	85.4	Confident	84	Confident	91 Å²	91	64.9 Å²	64.9	40%	0.396	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	149.9	173.2	64	175.3	179.8	170.2	0	112.8	E544 C545 Y546 Q552	E544-K554 HydrophobicContact CB-CD 4.39Å; E544-K554 HydrophobicContact CG-CD 4.43Å; E544-K554 VanDerWaalsContact OE1-CE 3.3Å; E544-K554 WeakPolarHBondContact OE1-CE 3.21Å; E544-K554 IonicContact OE1-NZ 2.67Å; E544-K554 PolarHBondContact OE1-NZ 2.96Å; E544-K554 IonicContact OE2-NZ 3.99Å; E544-K554 PolarHBondContact OE2-NZ 2.77Å; C545-K554 CarbonylContact O-C 3.6Å; C545-K554 WeakPolarHBondContact O-CA 3.4Å; Y546-K554 HydrophobicContact CD1-CB 3.9Å; Y546-K554 HydrophobicContact CD2-CB 4.4Å; Y546-K554 HydrophobicContact CE1-CB 3.93Å; Y546-K554 HydrophobicContact CE1-CD 4.01Å; Y546-K554 HydrophobicContact CE1-CG 4.41Å; Y546-K554 HydrophobicContact CE2-CB 4.4Å; Y546-K554 HydrophobicContact CE2-CD 4.41Å; Y546-K554 HydrophobicContact CG-CB 4.15Å; Q552-K554 VanDerWaalsContact C-N 3.28Å; Q552-K554 PolarHBondContact O-N 3.36Å
555	I	92.3	Very high	82.5	Confident	26 Å²	26	64.7 Å²	64.7	13%	0.133	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.9	-179.7	-58.7	-174.7	0	0	0	109.4	E544 C545 L548 Q552 V557	E544-I555 CarbonylContact C-O 3.59Å; E544-I555 WeakPolarHBondContact CA-O 3.36Å; C545-I555 PolarHBondContact N-O 2.87Å; C545-I555 PolarHBondContact O-N 2.83Å; L548-I555 HydrophobicContact CB-CD1 4.33Å; Q552-I555 HydrophobicContact CB-CD1 4.28Å; Q552-I555 HydrophobicContact CB-CG1 3.97Å; I555-V557 HydrophobicContact CG2-CG1 4.24Å
556	L	94.1	Very high	81.3	Confident	84 Å²	84	67.9 Å²	67.9	44%	0.44	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	125.2	169.9	-71	171.3	0	0	0	110.5	L542 A543 E544 Y607	L542-L556 HydrophobicContact CD1-CB 4.29Å; L542-L556 HydrophobicContact CD1-CD2 4.04Å; A543-L556 WeakPolarHBondContact O-CA 3.29Å; E544-L556 HydrophobicContact CG-CD2 3.8Å; L556-Y607 HydrophobicContact CB-CD1 4.1Å; L556-Y607 HydrophobicContact CD1-CD1 4.47Å; L556-Y607 WeakPolarHBondContact O-CB 3.22Å
557	V	95.1	Very high	80.4	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156.7	-174.7	-62.5	0	0	0	0	111.9	A543 C545 L548 I555 V559 Y592 V604 F605	A543-V557 HydrophobicContact CB-CG2 3.89Å; A543-V557 PolarHBondContact N-O 2.87Å; A543-V557 PolarHBondContact O-N 2.83Å; C545-V557 HydrophobicContact CB-CB 4.39Å; C545-V557 HydrophobicContact CB-CG1 3.71Å; C545-V557 HydrophobicContact CB-CG2 3.72Å; L548-V557 HydrophobicContact CD2-CG1 3.77Å; I555-V557 HydrophobicContact CG2-CG1 4.24Å; V557-V559 HydrophobicContact CG2-CG2 4.01Å; V557-Y592 HydrophobicContact CG1-CD2 4.03Å; V557-Y592 HydrophobicContact CG1-CE2 3.96Å; V557-V604 HydrophobicContact CB-CG1 3.72Å; V557-V604 HydrophobicContact CG1-CG1 3.92Å; V557-V604 HydrophobicContact CG2-CG1 3.8Å; V557-F605 CarbonylContact C-O 3.37Å; V557-F605 WeakPolarHBondContact CA-O 3.43Å; V557-F605 VanDerWaalsContact CB-O 3.3Å; V557-F605 WeakPolarHBondContact CB-O 3.26Å
558	A	93.3	Very high	79.5	Confident	9 Å²	9	70.7 Å²	70.7	7%	0.074	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.4	165.4	0	0	0	0	0	109.8	V540 F541 F605	V540-A558 HydrophobicContact CG1-CB 4.41Å; F541-A558 CarbonylContact O-C 3.21Å; F541-A558 WeakPolarHBondContact O-CA 3.35Å; A558-F605 HydrophobicContact CB-CB 4.36Å; A558-F605 PolarHBondContact N-O 3.01Å; A558-F605 PolarHBondContact O-N 2.89Å
559	V	92.2	Very high	78.6	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	111.6	-178.6	164.4	0	0	0	0	109.7	I526 L528 V540 F541 A543 V557 T561 I602 M603 V604	I526-V559 HydrophobicContact CG2-CG2 3.72Å; L528-V559 HydrophobicContact CD2-CB 4.12Å; L528-V559 HydrophobicContact CD2-CG1 3.82Å; L528-V559 HydrophobicContact CD2-CG2 4.35Å; V540-V559 CarbonylContact C-O 3.58Å; V540-V559 VanDerWaalsContact CA-O 3.26Å; V540-V559 WeakPolarHBondContact CA-O 3.3Å; F541-V559 PolarHBondContact N-O 2.81Å; F541-V559 PolarHBondContact O-N 2.79Å; A543-V559 HydrophobicContact CB-CB 4.42Å; A543-V559 HydrophobicContact CB-CG2 3.72Å; V557-V559 HydrophobicContact CG2-CG2 4.01Å; V559-T561 HydrophobicContact CG1-CG2 4.23Å; V559-I602 HydrophobicContact CG1-CB 4.44Å; V559-I602 HydrophobicContact CG1-CD1 4.33Å; V559-I602 HydrophobicContact CG1-CG1 3.96Å; V559-I602 HydrophobicContact CG1-CG2 3.78Å; V559-M603 WeakPolarHBondContact CA-O 3.26Å; V559-V604 HydrophobicContact CG2-CG1 4.48Å; V559-V604 HydrophobicContact CG2-CG2 4.45Å
560	K	88.8	Confident	78.5	Confident	18 Å²	18	73.2 Å²	73.2	8%	0.078	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	116.7	174.6	171.2	-175.1	168.3	-173.1	0	109.1	V540 E576 I602 M603 F605	V540-K560 HydrophobicContact CG2-CB 4.05Å; V540-K560 HydrophobicContact CG2-CG 4.29Å; K560-E576 VanDerWaalsContact NZ-CD 3.28Å; K560-E576 IonicContact NZ-OE1 2.62Å; K560-E576 PolarHBondContact NZ-OE1 3.23Å; K560-E576 IonicContact NZ-OE2 2.71Å; K560-E576 PolarHBondContact NZ-OE2 2.59Å; K560-E576 VanDerWaalsContact NZ-OE2 3.17Å; K560-I602 WeakPolarHBondContact O-CA 3.36Å; K560-M603 HydrophobicContact CB-CB 4.23Å; K560-M603 HydrophobicContact CD-SD 3.92Å; K560-M603 PolarHBondContact N-O 2.7Å; K560-M603 PolarHBondContact O-N 2.89Å; K560-F605 HydrophobicContact CB-CE2 4.01Å; K560-F605 HydrophobicContact CD-CE2 4.16Å
561	T	87.2	Confident	78.4	Confident	14 Å²	14	71.7 Å²	71.7	9%	0.086	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	141.7	177	59.2	0	0	0	0	111.2	G538 K539 F541 V559 P600 L601 I602	G538-T561 WeakPolarHBondContact CA-O 3.34Å; K539-T561 PolarHBondContact N-OG1 2.79Å; K539-T561 PolarHBondContact O-N 2.89Å; K539-T561 PolarHBondContact O-OG1 2.65Å; F541-T561 HydrophobicContact CD2-CG2 3.99Å; F541-T561 HydrophobicContact CE2-CG2 3.82Å; V559-T561 HydrophobicContact CG1-CG2 4.23Å; T561-P600 HydrophobicContact CG2-CG 4.17Å; T561-L601 CarbonylContact C-O 3.56Å; T561-L601 WeakPolarHBondContact CA-O 3.35Å; T561-I602 HydrophobicContact CG2-CG1 4.03Å
562	L	77.7	Confident	78	Confident	22 Å²	22	67.5 Å²	67.5	12%	0.115	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-92	123.3	173.3	-162.4	74.9	0	0	0	110.2	A569 F573 P600 L601	L562-A569 HydrophobicContact CD2-CB 4.25Å; L562-F573 HydrophobicContact CB-CD2 4.5Å; L562-F573 HydrophobicContact CD2-CB 4.34Å; L562-F573 HydrophobicContact CD2-CD2 4.25Å; L562-P600 VanDerWaalsContact O-CB 3.27Å; L562-P600 WeakPolarHBondContact O-CB 3.47Å; L562-L601 HydrophobicContact CB-CB 4.18Å; L562-L601 HydrophobicContact CD2-CD1 4.27Å; L562-L601 PolarHBondContact N-O 3.04Å
563	K	66.1	Low	78.2	Confident	124 Å²	124	62.6 Å²	62.6	54%	0.539	31%	0.311	S	S	.	.	S	Bend	trans	-69.6	-41.2	-174.3	-108.6	-177.6	-176.7	-176.3	0	114.3	E534 F537	E534-K563 IonicContact OE1-NZ 3.88Å; E534-K563 PolarHBondContact OE1-NZ 3.11Å; E534-K563 WeakPolarHBondContact OE2-CE 3.4Å; E534-K563 IonicContact OE2-NZ 2.87Å; E534-K563 PolarHBondContact OE2-NZ 2.91Å; F537-K563 PolarHBondContact O-N 2.92Å
564	E	64.5	Low	78.2	Confident	157 Å²	157	59.1 Å²	59.1	73%	0.734	30%	0.295	S	S	*	.			trans	-132.5	114.9	-176.5	-70.8	-178	-166.2	0	0	110.6	S566	E564-S566 PolarHBondContact O-N 2.81Å
565	A	61.4	Low	77.6	Confident	26 Å²	26	57.9 Å²	57.9	22%	0.215	29%	0.288	C	S	.	.			trans	-96.1	51.6	-172.1	0	0	0	0	0	113	R570	A565-R570 HydrophobicContact CB-CG 4.26Å; A565-R570 VanDerWaalsContact CB-NH2 3.27Å; A565-R570 PolarHBondContact O-NE 3.23Å
566	S	68.4	Low	77	Confident	67 Å²	67	58.6 Å²	58.6	47%	0.469	29%	0.29	S	S	.	.			trans	-60.5	154.5	170.8	73.3	0	0	0	0	111	E564 N568 A569 R570	E564-S566 PolarHBondContact O-N 2.81Å; S566-N568 PolarHBondContact O-N 2.81Å; S566-N568 VanDerWaalsContact O-N 3.12Å; S566-A569 CarbonylContact O-C 3.43Å; S566-A569 PolarHBondContact O-N 2.87Å; S566-A569 VanDerWaalsContact O-N 3.07Å; S566-A569 WeakPolarHBondContact OG-CB 3.3Å; S566-A569 PolarHBondContact OG-N 3.47Å; S566-R570 WeakPolarHBondContact O-CG 2.99Å; S566-R570 PolarHBondContact O-N 3.04Å
567	E	70.4	Confident	76.4	Confident	140 Å²	140	54.6 Å²	54.6	65%	0.654	27%	0.27	S	S	*	.	H	α-helix	trans	-55.2	-36.3	-177	-76.7	-160.5	-175.3	0	0	114	R570 K571	E567-R570 PolarHBondContact O-N 3.48Å; E567-K571 WeakPolarHBondContact O-CD 3.45Å; E567-K571 WeakPolarHBondContact O-CG 3.3Å; E567-K571 PolarHBondContact O-N 3.16Å; E567-K571 IonicContact OE2-NZ 2.68Å; E567-K571 PolarHBondContact OE2-NZ 3.24Å
568	N	66.3	Low	75.7	Confident	105 Å²	105	59.1 Å²	59.1	56%	0.561	29%	0.291	S	S	*	.	H	α-helix	trans	-72.7	-44.4	178.4	-68.1	-5	0	0	0	110.5	S566 R570 K571 D572	S566-N568 PolarHBondContact O-N 2.81Å; S566-N568 VanDerWaalsContact O-N 3.12Å; N568-R570 PolarHBondContact O-N 2.84Å; N568-K571 PolarHBondContact O-N 3.32Å; N568-K571 VanDerWaalsContact O-N 3.07Å; N568-D572 PolarHBondContact O-N 3.18Å
569	A	66	Low	75	Confident	27 Å²	27	59.2 Å²	59.2	22%	0.223	29%	0.29	C	S	.	.	H	α-helix	trans	-60.6	-33.1	173.6	0	0	0	0	0	112.6	L562 S566 F573	L562-A569 HydrophobicContact CD2-CB 4.25Å; S566-A569 CarbonylContact O-C 3.43Å; S566-A569 PolarHBondContact O-N 2.87Å; S566-A569 VanDerWaalsContact O-N 3.07Å; S566-A569 WeakPolarHBondContact OG-CB 3.3Å; S566-A569 PolarHBondContact OG-N 3.47Å; A569-F573 WeakPolarHBondContact O-CB 3.19Å; A569-F573 PolarHBondContact O-N 3.39Å
570	R	75.6	Confident	74.6	Confident	83 Å²	83	60.6 Å²	60.6	31%	0.313	30%	0.297	S	S	.	.	H	α-helix	trans	-66.4	-46.3	170.9	-67.9	-175.1	-178.3	-94.8	-2.4	112	A565 S566 E567 N568 D572 F573 H574 D599 L601	A565-R570 HydrophobicContact CB-CG 4.26Å; A565-R570 VanDerWaalsContact CB-NH2 3.27Å; A565-R570 PolarHBondContact O-NE 3.23Å; S566-R570 WeakPolarHBondContact O-CG 2.99Å; S566-R570 PolarHBondContact O-N 3.04Å; E567-R570 PolarHBondContact O-N 3.48Å; N568-R570 PolarHBondContact O-N 2.84Å; R570-D572 VanDerWaalsContact C-N 3.3Å; R570-D572 PolarHBondContact O-N 2.87Å; R570-F573 PolarHBondContact O-N 2.9Å; R570-H574 PolarHBondContact O-CD2 2.59Å; R570-H574 PolarHBondContact O-N 3.11Å; R570-D599 IonicContact CZ-OD1 2.94Å; R570-D599 IonicContact NH1-OD1 2.7Å; R570-D599 PolarHBondContact NH1-OD1 3.28Å; R570-D599 IonicContact NH2-OD1 3.96Å; R570-D599 PolarHBondContact NH2-OD1 2.88Å; R570-D599 IonicContact NH2-OD2 3.11Å; R570-D599 PolarHBondContact NH2-OD2 3.25Å; R570-L601 HydrophobicContact CG-CD1 4Å
571	K	72.6	Confident	74.3	Confident	99 Å²	99	60.7 Å²	60.7	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-61.2	-38.8	177.3	-70.6	158.2	-162.9	162	0	111.6	E567 N568 R575	E567-K571 WeakPolarHBondContact O-CD 3.45Å; E567-K571 WeakPolarHBondContact O-CG 3.3Å; E567-K571 PolarHBondContact O-N 3.16Å; E567-K571 IonicContact OE2-NZ 2.68Å; E567-K571 PolarHBondContact OE2-NZ 3.24Å; N568-K571 PolarHBondContact O-N 3.32Å; N568-K571 VanDerWaalsContact O-N 3.07Å; K571-R575 PolarHBondContact O-N 3.16Å
572	D	68.2	Low	74	Confident	59 Å²	59	62 Å²	62	32%	0.316	31%	0.306	S	S	.	.	H	α-helix	trans	-75.1	-38.3	178	-62.4	-26.8	0	0	0	111.8	N568 R570 H574 R575 E576	N568-D572 PolarHBondContact O-N 3.18Å; R570-D572 VanDerWaalsContact C-N 3.3Å; R570-D572 PolarHBondContact O-N 2.87Å; D572-H574 PolarHBondContact O-N 2.63Å; D572-R575 PolarHBondContact O-N 3.35Å; D572-R575 IonicContact OD1-CZ 3.77Å; D572-R575 VanDerWaalsContact OD1-CZ 3.24Å; D572-R575 IonicContact OD1-NH1 3.72Å; D572-R575 PolarHBondContact OD1-NH1 2.85Å; D572-R575 IonicContact OD1-NH2 3.1Å; D572-R575 PolarHBondContact OD1-NH2 3.38Å; D572-E576 WeakPolarHBondContact O-CB 3.36Å; D572-E576 PolarHBondContact O-N 3.16Å
573	F	79.9	Confident	74.3	Confident	6 Å²	6	61.8 Å²	61.8	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-56.4	-46.4	171.3	172.8	-80.6	0	0	0	112.4	L562 A569 R570 E576 A577 V594 V596 L601 M603	L562-F573 HydrophobicContact CB-CD2 4.5Å; L562-F573 HydrophobicContact CD2-CB 4.34Å; L562-F573 HydrophobicContact CD2-CD2 4.25Å; A569-F573 WeakPolarHBondContact O-CB 3.19Å; A569-F573 PolarHBondContact O-N 3.39Å; R570-F573 PolarHBondContact O-N 2.9Å; F573-E576 PolarHBondContact O-N 2.64Å; F573-A577 WeakPolarHBondContact O-CB 3.36Å; F573-A577 PolarHBondContact O-N 2.88Å; F573-V594 HydrophobicContact CE1-CB 4.06Å; F573-V594 HydrophobicContact CE1-CG1 3.77Å; F573-V594 HydrophobicContact CZ-CB 4.05Å; F573-V594 HydrophobicContact CZ-CG1 3.81Å; F573-V596 HydrophobicContact CE1-CG1 3.78Å; F573-V596 HydrophobicContact CZ-CG1 4.33Å; F573-L601 HydrophobicContact CD1-CD1 4.02Å; F573-L601 HydrophobicContact CD2-CB 4.09Å; F573-L601 HydrophobicContact CD2-CD1 4.33Å; F573-L601 HydrophobicContact CE1-CB 4.31Å; F573-L601 HydrophobicContact CE1-CD1 4.26Å; F573-L601 HydrophobicContact CE2-CB 3.64Å; F573-L601 HydrophobicContact CG-CD1 4.08Å; F573-L601 HydrophobicContact CZ-CB 3.78Å; F573-M603 HydrophobicContact CD2-CE 3.62Å; F573-M603 HydrophobicContact CD2-CG 4.34Å; F573-M603 HydrophobicContact CD2-SD 4.3Å; F573-M603 HydrophobicContact CE2-CE 3.89Å; F573-M603 HydrophobicContact CE2-CG 3.65Å; F573-M603 HydrophobicContact CE2-SD 4.17Å; F573-M603 HydrophobicContact CG-CE 3.98Å; F573-M603 HydrophobicContact CZ-CE 4.44Å; F573-M603 HydrophobicContact CZ-CG 3.95Å; F573-M603 WeakPolarHBondContact O-CE 3.48Å
574	H	77.9	Confident	75.4	Confident	85 Å²	85	62.5 Å²	62.5	39%	0.394	31%	0.31	S	S	.	.	H	α-helix	trans	-63	-42.5	177.2	-79.7	-69.2	0	0	0	111.9	R570 D572 A577 E578	R570-H574 PolarHBondContact O-CD2 2.59Å; R570-H574 PolarHBondContact O-N 3.11Å; D572-H574 PolarHBondContact O-N 2.63Å; H574-A577 PolarHBondContact O-N 3.5Å; H574-E578 WeakPolarHBondContact O-CG 3.33Å; H574-E578 PolarHBondContact O-N 3.3Å
575	R	72.5	Confident	76.8	Confident	65 Å²	65	57.8 Å²	57.8	25%	0.245	29%	0.288	C	S	.	.	H	α-helix	trans	-69.6	-36.4	179.7	-158.6	-168.8	-57.5	122.1	21	112.7	Y504 K571 D572 L579	Y504-R575 WeakPolarHBondContact O-CD 3.31Å; Y504-R575 PolarHBondContact O-NE 3.27Å; Y504-R575 PolarHBondContact O-NH1 3.38Å; K571-R575 PolarHBondContact O-N 3.16Å; D572-R575 PolarHBondContact O-N 3.35Å; D572-R575 IonicContact OD1-CZ 3.77Å; D572-R575 VanDerWaalsContact OD1-CZ 3.24Å; D572-R575 IonicContact OD1-NH1 3.72Å; D572-R575 PolarHBondContact OD1-NH1 2.85Å; D572-R575 IonicContact OD1-NH2 3.1Å; D572-R575 PolarHBondContact OD1-NH2 3.38Å; R575-L579 WeakPolarHBondContact O-CG 3.33Å; R575-L579 PolarHBondContact O-N 2.8Å
576	E	78.2	Confident	78.4	Confident	40 Å²	40	62.9 Å²	62.9	19%	0.187	31%	0.307	C	S	.	.	H	α-helix	trans	-62.2	-44.2	171.5	-167	-165.8	137.1	0	0	110.3	K560 D572 F573 L579 L580 M603	K560-E576 VanDerWaalsContact NZ-CD 3.28Å; K560-E576 IonicContact NZ-OE1 2.62Å; K560-E576 PolarHBondContact NZ-OE1 3.23Å; K560-E576 IonicContact NZ-OE2 2.71Å; K560-E576 PolarHBondContact NZ-OE2 2.59Å; K560-E576 VanDerWaalsContact NZ-OE2 3.17Å; D572-E576 WeakPolarHBondContact O-CB 3.36Å; D572-E576 PolarHBondContact O-N 3.16Å; F573-E576 PolarHBondContact O-N 2.64Å; E576-L579 PolarHBondContact O-N 3.23Å; E576-L580 HydrophobicContact CG-CD1 3.97Å; E576-L580 WeakPolarHBondContact O-CB 3.32Å; E576-L580 VanDerWaalsContact O-CG 3.23Å; E576-L580 WeakPolarHBondContact O-CG 3.49Å; E576-L580 PolarHBondContact O-N 2.98Å; E576-M603 HydrophobicContact CB-CE 3.76Å; E576-M603 HydrophobicContact CG-CE 3.95Å
577	A	83.3	Confident	79.7	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-63.6	-43.6	176.4	0	0	0	0	0	113	V518 F573 H574 L579 L580 T581 F591 V594 M603	V518-A577 HydrophobicContact CG1-CB 4.01Å; V518-A577 HydrophobicContact CG2-CB 4.41Å; F573-A577 WeakPolarHBondContact O-CB 3.36Å; F573-A577 PolarHBondContact O-N 2.88Å; H574-A577 PolarHBondContact O-N 3.5Å; A577-L579 PolarHBondContact O-N 2.84Å; A577-L580 PolarHBondContact O-N 2.88Å; A577-T581 PolarHBondContact O-N 2.87Å; A577-T581 PolarHBondContact O-OG1 3.48Å; A577-F591 HydrophobicContact CB-CE1 4.03Å; A577-F591 HydrophobicContact CB-CZ 3.78Å; A577-F591 WeakPolarHBondContact O-CE1 3.33Å; A577-V594 HydrophobicContact CB-CG1 3.65Å; A577-M603 HydrophobicContact CB-CE 4.46Å
578	E	80.4	Confident	80.9	Confident	95 Å²	95	54.2 Å²	54.2	44%	0.444	26%	0.26	S	S	.	.	H	α-helix	trans	-61	-41.3	174.6	-74.9	174.2	-170.6	0	0	112.5	V518 H574 N582	V518-E578 HydrophobicContact CG2-CG 3.92Å; H574-E578 WeakPolarHBondContact O-CG 3.33Å; H574-E578 PolarHBondContact O-N 3.3Å; E578-N582 PolarHBondContact O-ND2 3.19Å
579	L	77	Confident	82.2	Confident	11 Å²	11	49.5 Å²	49.5	6%	0.058	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-51.7	173.8	-77.1	163.8	0	0	0	110.8	Y504 L512 R575 E576 A577 T581 N582	Y504-L579 HydrophobicContact CD1-CD1 3.75Å; Y504-L579 HydrophobicContact CD2-CD1 3.87Å; Y504-L579 HydrophobicContact CE1-CD1 4.05Å; Y504-L579 HydrophobicContact CE2-CD1 4.15Å; Y504-L579 HydrophobicContact CG-CD1 3.69Å; L512-L579 HydrophobicContact CD1-CD2 3.83Å; L512-L579 HydrophobicContact CD1-CG 4.44Å; L512-L579 HydrophobicContact CD2-CD2 4.23Å; R575-L579 WeakPolarHBondContact O-CG 3.33Å; R575-L579 PolarHBondContact O-N 2.8Å; E576-L579 PolarHBondContact O-N 3.23Å; A577-L579 PolarHBondContact O-N 2.84Å; L579-T581 PolarHBondContact O-N 2.77Å; L579-N582 PolarHBondContact O-N 3.17Å
580	L	83.8	Confident	83.4	Confident	28 Å²	28	50.4 Å²	50.4	15%	0.147	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-37.5	-176.7	-70.9	168.8	0	0	0	113.2	E576 A577 N582 L583 F591 F605	E576-L580 HydrophobicContact CG-CD1 3.97Å; E576-L580 WeakPolarHBondContact O-CB 3.32Å; E576-L580 VanDerWaalsContact O-CG 3.23Å; E576-L580 WeakPolarHBondContact O-CG 3.49Å; E576-L580 PolarHBondContact O-N 2.98Å; A577-L580 PolarHBondContact O-N 2.88Å; L580-N582 PolarHBondContact O-N 3.2Å; L580-L583 PolarHBondContact O-N 2.87Å; L580-F591 HydrophobicContact CB-CB 3.89Å; L580-F591 HydrophobicContact CB-CD1 3.55Å; L580-F591 HydrophobicContact CB-CD2 4.38Å; L580-F591 HydrophobicContact CB-CE1 4.1Å; L580-F591 HydrophobicContact CB-CG 3.69Å; L580-F591 HydrophobicContact CD1-CD2 4.26Å; L580-F591 HydrophobicContact CD1-CG 4.37Å; L580-F605 HydrophobicContact CD1-CE1 3.9Å; L580-F605 HydrophobicContact CD1-CZ 3.88Å
581	T	83.8	Confident	84.2	Confident	21 Å²	21	47.2 Å²	47.2	13%	0.129	23%	0.226	C	C	.	.	H	α-helix	trans	-59.4	-29	178.3	-63	0	0	0	0	112.8	T516 A577 L579 Q584 F591	T516-T581 HydrophobicContact CG2-CG2 3.54Å; A577-T581 PolarHBondContact O-N 2.87Å; A577-T581 PolarHBondContact O-OG1 3.48Å; L579-T581 PolarHBondContact O-N 2.77Å; T581-Q584 PolarHBondContact O-NE2 3.02Å; T581-F591 WeakPolarHBondContact OG1-CE1 3.37Å
582	N	80.3	Confident	85.1	Confident	42 Å²	42	45.5 Å²	45.5	23%	0.225	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-15.3	177.5	-69.2	-66.9	0	0	0	114	T516 E578 L579 L580 Q584 Y656	T516-N582 VanDerWaalsContact CG2-ND2 3.28Å; T516-N582 WeakPolarHBondContact CG2-ND2 3.25Å; T516-N582 VanDerWaalsContact OG1-CG 3.28Å; T516-N582 PolarHBondContact OG1-ND2 2.97Å; T516-N582 PolarHBondContact OG1-OD1 3.17Å; E578-N582 PolarHBondContact O-ND2 3.19Å; L579-N582 PolarHBondContact O-N 3.17Å; L580-N582 PolarHBondContact O-N 3.2Å; N582-Q584 PolarHBondContact O-N 3.34Å; N582-Y656 PolarHBondContact O-OH 3.09Å
583	L	84.4	Confident	86.3	Confident	16 Å²	16	42.8 Å²	42.8	8%	0.084	20%	0.203	C	C	.	.			trans	-96.6	80.2	-173.1	-66.5	176.6	0	0	0	111.4	L580 I588 Y656 L657 Q660 F662	L580-L583 PolarHBondContact O-N 2.87Å; L583-I588 HydrophobicContact CB-CG2 4.48Å; L583-Y656 HydrophobicContact CB-CE1 4.48Å; L583-Y656 HydrophobicContact CD2-CE1 4.03Å; L583-L657 HydrophobicContact CD1-CD2 4.29Å; L583-L657 HydrophobicContact CD2-CD2 3.98Å; L583-Q660 HydrophobicContact CD2-CB 4.25Å; L583-Q660 HydrophobicContact CD2-CG 4.23Å; L583-F662 HydrophobicContact CD1-CD2 3.91Å; L583-F662 HydrophobicContact CD1-CE2 3.78Å; L583-F662 HydrophobicContact CD1-CG 4.36Å; L583-F662 HydrophobicContact CD1-CZ 4.12Å
584	Q	87.7	Confident	86.9	Confident	140 Å²	140	42.5 Å²	42.5	65%	0.654	20%	0.202	S	C	*	.			trans	-115.6	113.3	-178	-59.6	-177.1	19.2	0	0	111	T581 N582 Y656	T581-Q584 PolarHBondContact O-NE2 3.02Å; N582-Q584 PolarHBondContact O-N 3.34Å; Q584-Y656 PolarHBondContact N-OH 3.33Å; Q584-Y656 PolarHBondContact O-OH 2.75Å
585	H	94.2	Very high	87.5	Confident	58 Å²	58	38.5 Å²	38.5	27%	0.269	18%	0.183	S	C	.	.			trans	-162.6	151.2	-179.8	178	-108.1	0	0	0	110.6	H587 I588 S652 Y656	H585-H587 AromaticContact CE1-CD2 3.95Å; H585-H587 PolarHBondContact ND1-N 3.08Å; H585-H587 PolarHBondContact O-N 3.31Å; H585-H587 VanDerWaalsContact O-N 3.11Å; H585-I588 HydrophobicContact CB-CB 4.3Å; H585-I588 HydrophobicContact CB-CG1 3.88Å; H585-I588 PolarHBondContact O-N 3.33Å; H585-S652 PolarHBondContact CE1-O 2.94Å; H585-Y656 HydrophobicContact CB-CD1 3.55Å; H585-Y656 HydrophobicContact CB-CD2 3.74Å; H585-Y656 HydrophobicContact CB-CE1 3.78Å; H585-Y656 HydrophobicContact CB-CE2 3.96Å; H585-Y656 HydrophobicContact CB-CG 3.52Å; H585-Y656 AromaticContact CD2-CD2 3.8Å; H585-Y656 AromaticContact CD2-CG 3.85Å; H585-Y656 AromaticContact CG-CD1 4Å; H585-Y656 AromaticContact CG-CD2 3.85Å; H585-Y656 AromaticContact CG-CG 3.54Å
586	E	95.3	Very high	88.2	Confident	133 Å²	133	37.5 Å²	37.5	62%	0.621	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-39	-174.8	-173.3	176.2	172.4	0	0	113.8	K681	E586-K681 WeakPolarHBondContact O-CD 3.39Å; E586-K681 WeakPolarHBondContact O-CE 3.45Å
587	H	96.8	Very high	88.2	Confident	12 Å²	12	40.2 Å²	40.2	6%	0.056	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	21.8	-179.2	-53.9	-63.3	0	0	0	114.4	H585 Q649 S652 V680 K681 I682	H585-H587 AromaticContact CE1-CD2 3.95Å; H585-H587 PolarHBondContact ND1-N 3.08Å; H585-H587 PolarHBondContact O-N 3.31Å; H585-H587 VanDerWaalsContact O-N 3.11Å; H587-Q649 WeakPolarHBondContact CB-O 3.3Å; H587-Q649 VanDerWaalsContact CE1-CG 3.48Å; H587-Q649 WeakPolarHBondContact CE1-CG 3.39Å; H587-S652 VanDerWaalsContact CD2-CB 3.45Å; H587-S652 WeakPolarHBondContact CD2-CB 3.48Å; H587-V680 PolarHBondContact ND1-O 2.8Å; H587-K681 CarbonylContact O-C 3.57Å; H587-K681 WeakPolarHBondContact O-CA 3.17Å; H587-I682 PolarHBondContact O-N 3.05Å
588	I	94.7	Very high	87.9	Confident	13 Å²	13	42.7 Å²	42.7	7%	0.067	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-117.3	136.4	169.6	-57.6	-60.2	0	0	0	107.8	L583 H585 T590 Y656 L657 I682	L583-I588 HydrophobicContact CB-CG2 4.48Å; H585-I588 HydrophobicContact CB-CB 4.3Å; H585-I588 HydrophobicContact CB-CG1 3.88Å; H585-I588 PolarHBondContact O-N 3.33Å; I588-T590 PolarHBondContact O-N 2.61Å; I588-Y656 HydrophobicContact CD1-CD1 4.5Å; I588-Y656 HydrophobicContact CG1-CD1 3.81Å; I588-Y656 HydrophobicContact CG1-CE1 4.25Å; I588-L657 HydrophobicContact CD1-CD1 3.94Å; I588-L657 HydrophobicContact CD1-CD2 3.87Å; I588-L657 HydrophobicContact CD1-CG 3.75Å; I588-L657 HydrophobicContact CG1-CD2 4.38Å; I588-I682 HydrophobicContact CD1-CB 4.02Å; I588-I682 HydrophobicContact CD1-CD1 4.29Å
589	V	93.4	Very high	87.7	Confident	6 Å²	6	42.2 Å²	42.2	4%	0.036	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-67.1	119.9	-177.8	-179.5	0	0	0	0	109.5	F591 F605 E606 L673 K681 I682 F685	V589-F591 PolarHBondContact O-N 2.95Å; V589-F605 HydrophobicContact CG1-CB 4.41Å; V589-E606 HydrophobicContact CG1-CG 3.8Å; V589-L673 HydrophobicContact CG1-CD1 4.42Å; V589-L673 HydrophobicContact CG2-CB 4.27Å; V589-L673 HydrophobicContact CG2-CD1 4.01Å; V589-L673 HydrophobicContact CG2-CG 4.26Å; V589-K681 HydrophobicContact CG2-CB 3.62Å; V589-I682 WeakPolarHBondContact CG2-O 3.48Å; V589-I682 PolarHBondContact N-O 2.56Å; V589-F685 HydrophobicContact CB-CE2 3.9Å; V589-F685 HydrophobicContact CB-CZ 4.4Å; V589-F685 HydrophobicContact CG1-CE2 3.68Å; V589-F685 HydrophobicContact CG1-CZ 3.75Å; V589-F685 HydrophobicContact CG2-CE2 4.08Å
590	T	92.3	Very high	88.2	Confident	46 Å²	46	44.1 Å²	44.1	28%	0.282	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-64.9	122.2	-173.4	-50.9	0	0	0	0	110	I588 Y592 F605 E606	I588-T590 PolarHBondContact O-N 2.61Å; T590-Y592 HydrophobicContact CG2-CD1 3.95Å; T590-Y592 HydrophobicContact CG2-CE1 3.68Å; T590-F605 CarbonylContact O-C 3.58Å; T590-F605 VanDerWaalsContact O-CA 3.26Å; T590-F605 WeakPolarHBondContact O-CA 3.46Å; T590-E606 WeakPolarHBondContact CB-OE1 3.42Å; T590-E606 PolarHBondContact N-OE1 3.16Å; T590-E606 PolarHBondContact O-N 3.48Å; T590-E606 PolarHBondContact OG1-OE1 3.26Å
591	F	92.4	Very high	88.3	Confident	16 Å²	16	42.9 Å²	42.9	7%	0.07	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.8	170.2	175.8	-117.5	0	0	0	109.6	V518 A577 L580 T581 V589 G593 V594 M603 V604 F605	V518-F591 HydrophobicContact CG1-CE1 4.3Å; A577-F591 HydrophobicContact CB-CE1 4.03Å; A577-F591 HydrophobicContact CB-CZ 3.78Å; A577-F591 WeakPolarHBondContact O-CE1 3.33Å; L580-F591 HydrophobicContact CB-CB 3.89Å; L580-F591 HydrophobicContact CB-CD1 3.55Å; L580-F591 HydrophobicContact CB-CD2 4.38Å; L580-F591 HydrophobicContact CB-CE1 4.1Å; L580-F591 HydrophobicContact CB-CG 3.69Å; L580-F591 HydrophobicContact CD1-CD2 4.26Å; L580-F591 HydrophobicContact CD1-CG 4.37Å; T581-F591 WeakPolarHBondContact OG1-CE1 3.37Å; V589-F591 PolarHBondContact O-N 2.95Å; F591-G593 WeakPolarHBondContact CE2-O 3.47Å; F591-G593 WeakPolarHBondContact CZ-O 3.43Å; F591-V594 HydrophobicContact CE2-CG1 4.48Å; F591-V594 HydrophobicContact CZ-CG1 3.78Å; F591-M603 HydrophobicContact CE2-CB 3.91Å; F591-M603 HydrophobicContact CE2-CG 3.98Å; F591-M603 HydrophobicContact CZ-CG 4.47Å; F591-V604 WeakPolarHBondContact CD2-O 3.48Å; F591-F605 HydrophobicContact CB-CD1 4.03Å; F591-F605 HydrophobicContact CB-CE1 4.03Å; F591-F605 AromaticContact CD2-CD1 3.89Å; F591-F605 HydrophobicContact CD2-CD1 3.89Å; F591-F605 AromaticContact CD2-CE1 3.59Å; F591-F605 HydrophobicContact CD2-CE1 3.59Å; F591-F605 HydrophobicContact CD2-CE2 4.33Å; F591-F605 HydrophobicContact CD2-CG 4.4Å; F591-F605 AromaticContact CD2-CZ 3.83Å; F591-F605 HydrophobicContact CD2-CZ 3.83Å; F591-F605 HydrophobicContact CE2-CE1 4.49Å; F591-F605 HydrophobicContact CE2-CZ 4.31Å; F591-F605 HydrophobicContact CG-CD1 4.47Å; F591-F605 HydrophobicContact CG-CE1 4.21Å
592	Y	91.8	Very high	88.6	Confident	63 Å²	63	42.1 Å²	42.1	25%	0.247	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-18	-176.8	-66.2	-52.7	0	0	0	113.9	Q519 L548 V557 T590 V604 F605 E606	Q519-Y592 WeakPolarHBondContact CB-O 3.43Å; L548-Y592 HydrophobicContact CD2-CD1 4.4Å; L548-Y592 HydrophobicContact CD2-CD2 3.7Å; L548-Y592 HydrophobicContact CD2-CE2 4.04Å; L548-Y592 HydrophobicContact CD2-CG 3.89Å; V557-Y592 HydrophobicContact CG1-CD2 4.03Å; V557-Y592 HydrophobicContact CG1-CE2 3.96Å; T590-Y592 HydrophobicContact CG2-CD1 3.95Å; T590-Y592 HydrophobicContact CG2-CE1 3.68Å; Y592-V604 HydrophobicContact CD2-CG1 4.31Å; Y592-V604 PolarHBondContact N-O 3.47Å; Y592-F605 VanDerWaalsContact CD2-C 3.49Å; Y592-E606 HydrophobicContact CE2-CB 3.98Å
593	G	91.6	Very high	89.2	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.1	-165.5	178.7	0	0	0	0	0	114.9	Q519 F591 V604	Q519-G593 CarbonylContact O-C 3.59Å; Q519-G593 WeakPolarHBondContact O-CA 3.47Å; F591-G593 WeakPolarHBondContact CE2-O 3.47Å; F591-G593 WeakPolarHBondContact CZ-O 3.43Å; G593-V604 PolarHBondContact O-N 2.8Å
594	V	92.8	Very high	89.6	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.1	-175.4	-59.7	0	0	0	0	112.7	V518 Q519 H520 I521 F573 A577 F591 V596 I602 M603	V518-V594 HydrophobicContact CG1-CG1 4.02Å; V518-V594 HydrophobicContact CG1-CG2 3.87Å; Q519-V594 PolarHBondContact O-N 3.24Å; H520-V594 CarbonylContact C-O 3.59Å; H520-V594 WeakPolarHBondContact CA-O 3.32Å; I521-V594 PolarHBondContact N-O 3.49Å; F573-V594 HydrophobicContact CE1-CB 4.06Å; F573-V594 HydrophobicContact CE1-CG1 3.77Å; F573-V594 HydrophobicContact CZ-CB 4.05Å; F573-V594 HydrophobicContact CZ-CG1 3.81Å; A577-V594 HydrophobicContact CB-CG1 3.65Å; F591-V594 HydrophobicContact CE2-CG1 4.48Å; F591-V594 HydrophobicContact CZ-CG1 3.78Å; V594-V596 HydrophobicContact CB-CG1 4.09Å; V594-V596 HydrophobicContact CG2-CG1 3.84Å; V594-I602 CarbonylContact C-O 3.5Å; V594-I602 WeakPolarHBondContact CA-O 3.4Å; V594-M603 HydrophobicContact CG1-CG 4.3Å
595	C	90.3	Very high	89.8	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.1	158.1	-174.5	0	0	0	0	109	I521 I526 I602	I521-C595 VanDerWaalsContact O-CB 3.24Å; I521-C595 WeakPolarHBondContact O-CB 3.27Å; I521-C595 PolarHBondContact O-SG 3.1Å; I526-C595 HydrophobicContact CD1-CB 3.89Å; C595-I602 HydrophobicContact CB-CB 4Å; C595-I602 HydrophobicContact CB-CG2 4.07Å; C595-I602 PolarHBondContact N-O 2.94Å; C595-I602 PolarHBondContact O-N 3.47Å
596	V	87.2	Confident	89.8	Confident	44 Å²	44	31.5 Å²	31.5	27%	0.267	17%	0.165	S	C	.	.			trans	-129.8	13.2	-175	-57.1	0	0	0	0	112.7	F573 V594 S598 L601	F573-V596 HydrophobicContact CE1-CG1 3.78Å; F573-V596 HydrophobicContact CZ-CG1 4.33Å; V594-V596 HydrophobicContact CB-CG1 4.09Å; V594-V596 HydrophobicContact CG2-CG1 3.84Å; V596-S598 VanDerWaalsContact C-N 3.32Å; V596-S598 PolarHBondContact O-N 3.43Å; V596-L601 HydrophobicContact CB-CD2 4Å; V596-L601 HydrophobicContact CG1-CD2 4.14Å
597	E	78.6	Confident	89.7	Confident	97 Å²	97	27.5 Å²	27.5	45%	0.453	14%	0.144	S	C	.	.	S	Bend	trans	-73.1	-26.2	-173.2	-55.2	-169.1	116.6	0	0	112.7	K522 R523	K522-E597 WeakPolarHBondContact CA-OE2 3.15Å; K522-E597 WeakPolarHBondContact CD-OE1 3.3Å; K522-E597 WeakPolarHBondContact CD-OE2 3.34Å; K522-E597 WeakPolarHBondContact CE-OE1 3.37Å; K522-E597 IonicContact NZ-OE1 2.8Å; K522-E597 PolarHBondContact NZ-OE1 2.87Å; R523-E597 PolarHBondContact N-OE2 2.95Å
598	S	76.4	Confident	89.5	Confident	53 Å²	53	27.4 Å²	27.4	37%	0.371	14%	0.144	S	C	.	.	S	Bend	trans	-157.4	165.7	172.9	71.7	0	0	0	0	109.8	R523 V596	R523-S598 WeakPolarHBondContact CD-OG 3.49Å; R523-S598 VanDerWaalsContact CZ-OG 3.28Å; R523-S598 PolarHBondContact NE-OG 2.74Å; R523-S598 PolarHBondContact NH1-O 3.02Å; R523-S598 PolarHBondContact NH1-OG 3.21Å; R523-S598 VanDerWaalsContact NH1-OG 3.13Å; V596-S598 VanDerWaalsContact C-N 3.32Å; V596-S598 PolarHBondContact O-N 3.43Å
599	D	78.1	Confident	89.2	Confident	85 Å²	85	31.8 Å²	31.8	46%	0.455	16%	0.163	S	C	.	.	S	Bend	trans	-78.2	156.8	174.6	-70.1	-23.4	0	0	0	112.2	R523 R570	R523-D599 PolarHBondContact NH2-O 3.02Å; R570-D599 IonicContact CZ-OD1 2.94Å; R570-D599 IonicContact NH1-OD1 2.7Å; R570-D599 PolarHBondContact NH1-OD1 3.28Å; R570-D599 IonicContact NH2-OD1 3.96Å; R570-D599 PolarHBondContact NH2-OD1 2.88Å; R570-D599 IonicContact NH2-OD2 3.11Å; R570-D599 PolarHBondContact NH2-OD2 3.25Å
600	P	85.6	Confident	89.1	Confident	51 Å²	51	35.8 Å²	35.8	33%	0.331	18%	0.181	S	C	.	.	S	Bend	cis	-62.9	148.6	-15	28.6	-37	0	0	0	111.5	R523 T561 L562	R523-P600 PolarHBondContact NH1-O 2.82Å; R523-P600 VanDerWaalsContact NH1-O 3.14Å; T561-P600 HydrophobicContact CG2-CG 4.17Å; L562-P600 VanDerWaalsContact O-CB 3.27Å; L562-P600 WeakPolarHBondContact O-CB 3.47Å
601	L	87.1	Confident	88.9	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.01	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-64.3	143.4	170.8	-61	-175.2	0	0	0	110.3	T561 L562 R570 F573 V596	T561-L601 CarbonylContact C-O 3.56Å; T561-L601 WeakPolarHBondContact CA-O 3.35Å; L562-L601 HydrophobicContact CB-CB 4.18Å; L562-L601 HydrophobicContact CD2-CD1 4.27Å; L562-L601 PolarHBondContact N-O 3.04Å; R570-L601 HydrophobicContact CG-CD1 4Å; F573-L601 HydrophobicContact CD1-CD1 4.02Å; F573-L601 HydrophobicContact CD2-CB 4.09Å; F573-L601 HydrophobicContact CD2-CD1 4.33Å; F573-L601 HydrophobicContact CE1-CB 4.31Å; F573-L601 HydrophobicContact CE1-CD1 4.26Å; F573-L601 HydrophobicContact CE2-CB 3.64Å; F573-L601 HydrophobicContact CG-CD1 4.08Å; F573-L601 HydrophobicContact CZ-CB 3.78Å; V596-L601 HydrophobicContact CB-CD2 4Å; V596-L601 HydrophobicContact CG1-CD2 4.14Å
602	I	90.8	Very high	88.9	Confident	5 Å²	5	35.2 Å²	35.2	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130.7	-170.3	-79.8	161	0	0	0	110.6	I526 V559 K560 T561 V594 C595 V604	I526-I602 HydrophobicContact CD1-CG2 3.92Å; V559-I602 HydrophobicContact CG1-CB 4.44Å; V559-I602 HydrophobicContact CG1-CD1 4.33Å; V559-I602 HydrophobicContact CG1-CG1 3.96Å; V559-I602 HydrophobicContact CG1-CG2 3.78Å; K560-I602 WeakPolarHBondContact O-CA 3.36Å; T561-I602 HydrophobicContact CG2-CG1 4.03Å; V594-I602 CarbonylContact C-O 3.5Å; V594-I602 WeakPolarHBondContact CA-O 3.4Å; C595-I602 HydrophobicContact CB-CB 4Å; C595-I602 HydrophobicContact CB-CG2 4.07Å; C595-I602 PolarHBondContact N-O 2.94Å; C595-I602 PolarHBondContact O-N 3.47Å; I602-V604 HydrophobicContact CG2-CG2 3.7Å
603	M	91	Very high	89	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	139.4	162.1	-75	162.7	172.7	0	0	109.4	V559 K560 F573 E576 A577 F591 V594 F605	V559-M603 WeakPolarHBondContact CA-O 3.26Å; K560-M603 HydrophobicContact CB-CB 4.23Å; K560-M603 HydrophobicContact CD-SD 3.92Å; K560-M603 PolarHBondContact N-O 2.7Å; K560-M603 PolarHBondContact O-N 2.89Å; F573-M603 HydrophobicContact CD2-CE 3.62Å; F573-M603 HydrophobicContact CD2-CG 4.34Å; F573-M603 HydrophobicContact CD2-SD 4.3Å; F573-M603 HydrophobicContact CE2-CE 3.89Å; F573-M603 HydrophobicContact CE2-CG 3.65Å; F573-M603 HydrophobicContact CE2-SD 4.17Å; F573-M603 HydrophobicContact CG-CE 3.98Å; F573-M603 HydrophobicContact CZ-CE 4.44Å; F573-M603 HydrophobicContact CZ-CG 3.95Å; F573-M603 WeakPolarHBondContact O-CE 3.48Å; E576-M603 HydrophobicContact CB-CE 3.76Å; E576-M603 HydrophobicContact CG-CE 3.95Å; A577-M603 HydrophobicContact CB-CE 4.46Å; F591-M603 HydrophobicContact CE2-CB 3.91Å; F591-M603 HydrophobicContact CE2-CG 3.98Å; F591-M603 HydrophobicContact CZ-CG 4.47Å; V594-M603 HydrophobicContact CG1-CG 4.3Å; M603-F605 HydrophobicContact CB-CD2 4.36Å; M603-F605 HydrophobicContact CB-CE2 3.54Å; M603-F605 HydrophobicContact CB-CZ 4.1Å; M603-F605 HydrophobicContact SD-CZ 4.47Å
604	V	93.1	Very high	89.1	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.1	-176.5	-167.7	0	0	0	0	110.3	I521 I526 V557 V559 F591 Y592 G593 I602	I521-V604 HydrophobicContact CD1-CB 3.69Å; I521-V604 HydrophobicContact CD1-CG1 4.14Å; I521-V604 HydrophobicContact CD1-CG2 3.64Å; I526-V604 HydrophobicContact CD1-CG2 3.87Å; V557-V604 HydrophobicContact CB-CG1 3.72Å; V557-V604 HydrophobicContact CG1-CG1 3.92Å; V557-V604 HydrophobicContact CG2-CG1 3.8Å; V559-V604 HydrophobicContact CG2-CG1 4.48Å; V559-V604 HydrophobicContact CG2-CG2 4.45Å; F591-V604 WeakPolarHBondContact CD2-O 3.48Å; Y592-V604 HydrophobicContact CD2-CG1 4.31Å; Y592-V604 PolarHBondContact N-O 3.47Å; G593-V604 PolarHBondContact O-N 2.8Å; I602-V604 HydrophobicContact CG2-CG2 3.7Å
605	F	93.3	Very high	88.9	Confident	6 Å²	6	37.2 Å²	37.2	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	166.1	-176.5	-59	-95.9	0	0	0	111.5	V557 A558 K560 L580 V589 T590 F591 Y592 M603 F685	V557-F605 CarbonylContact C-O 3.37Å; V557-F605 WeakPolarHBondContact CA-O 3.43Å; V557-F605 VanDerWaalsContact CB-O 3.3Å; V557-F605 WeakPolarHBondContact CB-O 3.26Å; A558-F605 HydrophobicContact CB-CB 4.36Å; A558-F605 PolarHBondContact N-O 3.01Å; A558-F605 PolarHBondContact O-N 2.89Å; K560-F605 HydrophobicContact CB-CE2 4.01Å; K560-F605 HydrophobicContact CD-CE2 4.16Å; L580-F605 HydrophobicContact CD1-CE1 3.9Å; L580-F605 HydrophobicContact CD1-CZ 3.88Å; V589-F605 HydrophobicContact CG1-CB 4.41Å; T590-F605 CarbonylContact O-C 3.58Å; T590-F605 VanDerWaalsContact O-CA 3.26Å; T590-F605 WeakPolarHBondContact O-CA 3.46Å; F591-F605 HydrophobicContact CB-CD1 4.03Å; F591-F605 HydrophobicContact CB-CE1 4.03Å; F591-F605 AromaticContact CD2-CD1 3.89Å; F591-F605 HydrophobicContact CD2-CD1 3.89Å; F591-F605 AromaticContact CD2-CE1 3.59Å; F591-F605 HydrophobicContact CD2-CE1 3.59Å; F591-F605 HydrophobicContact CD2-CE2 4.33Å; F591-F605 HydrophobicContact CD2-CG 4.4Å; F591-F605 AromaticContact CD2-CZ 3.83Å; F591-F605 HydrophobicContact CD2-CZ 3.83Å; F591-F605 HydrophobicContact CE2-CE1 4.49Å; F591-F605 HydrophobicContact CE2-CZ 4.31Å; F591-F605 HydrophobicContact CG-CD1 4.47Å; F591-F605 HydrophobicContact CG-CE1 4.21Å; Y592-F605 VanDerWaalsContact CD2-C 3.49Å; M603-F605 HydrophobicContact CB-CD2 4.36Å; M603-F605 HydrophobicContact CB-CE2 3.54Å; M603-F605 HydrophobicContact CB-CZ 4.1Å; M603-F605 HydrophobicContact SD-CZ 4.47Å; F605-F685 HydrophobicContact CB-CE1 4.38Å; F605-F685 HydrophobicContact CB-CZ 4.04Å; F605-F685 HydrophobicContact CD1-CE1 4.07Å; F605-F685 AromaticContact CD1-CZ 3.61Å; F605-F685 HydrophobicContact CD1-CZ 3.61Å; F605-F685 AromaticContact CD2-CE1 3.69Å; F605-F685 HydrophobicContact CD2-CE1 3.69Å; F605-F685 HydrophobicContact CD2-CZ 4.05Å; F605-F685 HydrophobicContact CE1-CE1 4.2Å; F605-F685 AromaticContact CE1-CZ 3.95Å; F605-F685 HydrophobicContact CE1-CZ 3.95Å; F605-F685 AromaticContact CE2-CE1 3.84Å; F605-F685 HydrophobicContact CE2-CE1 3.84Å; F605-F685 HydrophobicContact CE2-CZ 4.36Å; F605-F685 AromaticContact CG-CE1 3.81Å; F605-F685 HydrophobicContact CG-CE1 3.81Å; F605-F685 AromaticContact CG-CZ 3.66Å; F605-F685 HydrophobicContact CG-CZ 3.66Å; F605-F685 HydrophobicContact CZ-CE1 4.09Å; F605-F685 HydrophobicContact CZ-CZ 4.32Å
606	E	92.7	Very high	89	Confident	25 Å²	25	38.1 Å²	38.1	12%	0.117	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	143.3	169.6	69.3	-178.2	121.8	0	0	112.6	V589 T590 Y592 M608 K681	V589-E606 HydrophobicContact CG1-CG 3.8Å; T590-E606 WeakPolarHBondContact CB-OE1 3.42Å; T590-E606 PolarHBondContact N-OE1 3.16Å; T590-E606 PolarHBondContact O-N 3.48Å; T590-E606 PolarHBondContact OG1-OE1 3.26Å; Y592-E606 HydrophobicContact CE2-CB 3.98Å; E606-M608 HydrophobicContact CG-CG 4.36Å; E606-M608 HydrophobicContact CG-SD 4.17Å; E606-M608 PolarHBondContact O-N 3.48Å; E606-K681 WeakPolarHBondContact OE1-CD 3.35Å; E606-K681 WeakPolarHBondContact OE1-CE 3.23Å; E606-K681 IonicContact OE1-NZ 3.97Å; E606-K681 PolarHBondContact OE1-NZ 3.3Å; E606-K681 WeakPolarHBondContact OE2-CE 3.27Å; E606-K681 IonicContact OE2-NZ 2.62Å; E606-K681 PolarHBondContact OE2-NZ 3.25Å
607	Y	93.4	Very high	89.3	Confident	49 Å²	49	36 Å²	36	19%	0.192	19%	0.185	C	C	.	.			trans	-84.8	109.6	177.7	175.1	-123.3	0	0	0	112.1	R530 L532 L542 L556 K609	R530-Y607 PolarHBondContact NH2-OH 2.58Å; L532-Y607 HydrophobicContact CD1-CD2 4.13Å; L532-Y607 HydrophobicContact CD1-CE2 3.88Å; L532-Y607 HydrophobicContact CD2-CE2 4.19Å; L542-Y607 HydrophobicContact CD1-CD1 3.74Å; L542-Y607 HydrophobicContact CD1-CD2 3.62Å; L542-Y607 HydrophobicContact CD1-CE1 3.91Å; L542-Y607 HydrophobicContact CD1-CE2 3.8Å; L542-Y607 HydrophobicContact CD1-CG 3.58Å; L542-Y607 HydrophobicContact CD2-CE1 4.35Å; L542-Y607 HydrophobicContact CD2-CE2 4.46Å; L556-Y607 HydrophobicContact CB-CD1 4.1Å; L556-Y607 HydrophobicContact CD1-CD1 4.47Å; L556-Y607 WeakPolarHBondContact O-CB 3.22Å; Y607-K609 HydrophobicContact CE1-CB 4.31Å; Y607-K609 HydrophobicContact CE1-CG 4.46Å; Y607-K609 PolarHBondContact O-N 3.22Å
608	M	92.5	Very high	89.9	Confident	10 Å²	10	35.1 Å²	35.1	5%	0.049	18%	0.178	C	C	.	.			trans	-88	95.4	177	-62.5	-66.7	-78.5	0	0	110.4	E606 H610 G611 L673 V674 G675 K681	E606-M608 HydrophobicContact CG-CG 4.36Å; E606-M608 HydrophobicContact CG-SD 4.17Å; E606-M608 PolarHBondContact O-N 3.48Å; M608-H610 VanDerWaalsContact C-N 3.26Å; M608-H610 PolarHBondContact O-N 3.14Å; M608-G611 PolarHBondContact O-N 3.21Å; M608-L673 HydrophobicContact CB-CB 3.62Å; M608-L673 HydrophobicContact CB-CD1 3.97Å; M608-L673 HydrophobicContact CB-CG 4.41Å; M608-L673 HydrophobicContact CE-CB 4.04Å; M608-L673 VanDerWaalsContact CE-O 3.28Å; M608-L673 WeakPolarHBondContact CE-O 3.43Å; M608-L673 HydrophobicContact CG-CB 3.65Å; M608-L673 HydrophobicContact CG-CD1 3.85Å; M608-L673 HydrophobicContact CG-CG 4.42Å; M608-V674 CarbonylContact C-O 3.56Å; M608-G675 VanDerWaalsContact CE-N 3.26Å; M608-K681 HydrophobicContact CE-CB 3.88Å; M608-K681 HydrophobicContact CE-CD 4Å; M608-K681 HydrophobicContact CE-CG 3.65Å; M608-K681 HydrophobicContact SD-CD 4.13Å; M608-K681 HydrophobicContact SD-CG 4.44Å
609	K	89.4	Confident	90.4	Very high	106 Å²	106	34.8 Å²	34.8	46%	0.461	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-35.4	-166.9	-171.9	-179.1	-172.2	178.3	0	116.5	Y607 E676	Y607-K609 HydrophobicContact CE1-CB 4.31Å; Y607-K609 HydrophobicContact CE1-CG 4.46Å; Y607-K609 PolarHBondContact O-N 3.22Å; K609-E676 HydrophobicContact CB-CG 4.35Å; K609-E676 HydrophobicContact CD-CG 3.69Å; K609-E676 WeakPolarHBondContact CD-OE1 3.3Å; K609-E676 WeakPolarHBondContact CE-OE1 3.37Å; K609-E676 IonicContact NZ-OE1 3.45Å; K609-E676 PolarHBondContact NZ-OE1 3.42Å
610	H	89.9	Confident	90.9	Very high	90 Å²	90	32.5 Å²	32.5	42%	0.417	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	5.5	-174.6	-61.4	-79.2	0	0	0	113.8	M608 F616 V674 G675	M608-H610 VanDerWaalsContact C-N 3.26Å; M608-H610 PolarHBondContact O-N 3.14Å; H610-F616 HydrophobicContact CB-CD2 3.85Å; H610-F616 HydrophobicContact CB-CE2 4.08Å; H610-V674 HydrophobicContact CB-CB 3.99Å; H610-V674 HydrophobicContact CB-CG1 4.04Å; H610-V674 WeakPolarHBondContact CB-O 3.27Å; H610-V674 PolarHBondContact N-O 2.76Å; H610-G675 PolarHBondContact CD2-O 2.97Å
611	G	89.8	Confident	90.9	Very high	32 Å²	32	30.5 Å²	30.5	33%	0.33	15%	0.153	S	C	.	.			trans	75.1	-148.8	175.4	0	0	0	0	0	113.5	M608 L673 V674	M608-G611 PolarHBondContact O-N 3.21Å; G611-L673 CarbonylContact O-C 3.58Å; G611-L673 WeakPolarHBondContact O-CA 3.11Å; G611-V674 PolarHBondContact O-N 3.47Å
612	D	90.9	Very high	90.5	Very high	17 Å²	17	33.7 Å²	33.7	9%	0.091	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-77.9	145.8	-178.5	71.4	81.9	0	0	0	113.3	N614 K615 F616 C672 L673 Y692	D612-N614 PolarHBondContact O-N 3.43Å; D612-N614 PolarHBondContact OD1-N 3.2Å; D612-K615 PolarHBondContact O-N 2.86Å; D612-K615 PolarHBondContact OD1-N 2.68Å; D612-K615 VanDerWaalsContact OD2-CD 3.29Å; D612-K615 WeakPolarHBondContact OD2-CD 3.3Å; D612-K615 WeakPolarHBondContact OD2-CE 3.34Å; D612-K615 IonicContact OD2-NZ 3.5Å; D612-K615 PolarHBondContact OD2-NZ 2.97Å; D612-F616 PolarHBondContact O-N 2.8Å; D612-C672 CarbonylContact C-O 3.59Å; D612-C672 WeakPolarHBondContact CA-O 3.24Å; D612-L673 HydrophobicContact CB-CD2 4.21Å; D612-Y692 PolarHBondContact OD1-OH 3.45Å
613	L	94.4	Very high	89.8	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67	-24.5	-175.5	177.2	65.2	0	0	0	112.2	F616 L617 I646 I650 T669 C672 V674 V680	L613-F616 HydrophobicContact CD1-CD1 4.23Å; L613-F616 PolarHBondContact O-N 3.26Å; L613-L617 HydrophobicContact CD1-CD1 4.18Å; L613-L617 HydrophobicContact CD1-CD2 4.42Å; L613-L617 HydrophobicContact CD1-CG 3.87Å; L613-L617 HydrophobicContact CD2-CD1 4.48Å; L613-L617 HydrophobicContact CG-CD1 3.88Å; L613-L617 HydrophobicContact CG-CG 4.08Å; L613-L617 VanDerWaalsContact O-CB 3.28Å; L613-L617 WeakPolarHBondContact O-CB 3.43Å; L613-L617 WeakPolarHBondContact O-CD1 3.35Å; L613-L617 WeakPolarHBondContact O-CG 3.48Å; L613-L617 PolarHBondContact O-N 3.44Å; L613-I646 HydrophobicContact CD1-CD1 4.43Å; L613-I646 HydrophobicContact CD1-CG2 4Å; L613-I646 HydrophobicContact CD2-CG2 3.74Å; L613-I650 HydrophobicContact CD2-CD1 3.66Å; L613-T669 WeakPolarHBondContact CB-O 3.34Å; L613-T669 HydrophobicContact CD2-CG2 4Å; L613-T669 HydrophobicContact CG-CG2 4.32Å; L613-T669 PolarHBondContact N-O 3.46Å; L613-C672 HydrophobicContact CB-CB 3.91Å; L613-C672 WeakPolarHBondContact CB-O 3.07Å; L613-C672 HydrophobicContact CD2-CB 3.88Å; L613-C672 PolarHBondContact N-O 2.87Å; L613-V674 HydrophobicContact CB-CG2 3.86Å; L613-V674 HydrophobicContact CD1-CG2 3.66Å; L613-V674 HydrophobicContact CG-CG2 4.36Å; L613-V680 HydrophobicContact CD2-CG1 4.17Å
614	N	93	Very high	88.8	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-69.7	-46.9	177.5	-165.6	-87.1	0	0	0	111.6	D612 F616 R618 T669 R670 Y692 E735 G740	D612-N614 PolarHBondContact O-N 3.43Å; D612-N614 PolarHBondContact OD1-N 3.2Å; N614-F616 VanDerWaalsContact C-N 3.35Å; N614-R618 WeakPolarHBondContact O-CB 3.43Å; N614-R618 VanDerWaalsContact O-CG 3.27Å; N614-R618 WeakPolarHBondContact O-CG 3.47Å; N614-R618 PolarHBondContact O-N 2.84Å; N614-R618 WeakPolarHBondContact OD1-CD 3.48Å; N614-R618 PolarHBondContact OD1-NE 3.45Å; N614-T669 VanDerWaalsContact CB-OG1 3.31Å; N614-T669 WeakPolarHBondContact CB-OG1 3.43Å; N614-T669 PolarHBondContact N-O 3.46Å; N614-T669 PolarHBondContact ND2-OG1 2.84Å; N614-R670 HydrophobicContact CB-CB 4.33Å; N614-Y692 HydrophobicContact CB-CE1 4.14Å; N614-Y692 WeakPolarHBondContact OD1-CE1 3.46Å; N614-E735 PolarHBondContact ND2-OE1 3.14Å; N614-G740 WeakPolarHBondContact ND2-CA 3.33Å; N614-G740 PolarHBondContact ND2-O 3.43Å; N614-G740 PolarHBondContact OD1-O 3.37Å
615	K	89.9	Confident	87.2	Confident	103 Å²	103	41.7 Å²	41.7	45%	0.448	22%	0.222	S	C	.	.	H	α-helix	trans	-59.7	-44.8	169.3	-81.2	171.8	-154	129	0	111.5	D612 L617 R618 A619 Y692	D612-K615 PolarHBondContact O-N 2.86Å; D612-K615 PolarHBondContact OD1-N 2.68Å; D612-K615 VanDerWaalsContact OD2-CD 3.29Å; D612-K615 WeakPolarHBondContact OD2-CD 3.3Å; D612-K615 WeakPolarHBondContact OD2-CE 3.34Å; D612-K615 IonicContact OD2-NZ 3.5Å; D612-K615 PolarHBondContact OD2-NZ 2.97Å; K615-L617 PolarHBondContact O-N 2.82Å; K615-R618 PolarHBondContact O-N 2.76Å; K615-A619 WeakPolarHBondContact O-CB 3.33Å; K615-A619 PolarHBondContact O-N 3.27Å; K615-Y692 WeakPolarHBondContact CG-OH 3.28Å
616	F	92.1	Very high	85.5	Confident	19 Å²	19	48.7 Å²	48.7	8%	0.083	26%	0.259	C	S	.	.	H	α-helix	trans	-57.9	-50.5	179.5	-171.4	-94.9	0	0	0	111.8	H610 D612 L613 N614 R618 A619 H620 L638 V674 L678	H610-F616 HydrophobicContact CB-CD2 3.85Å; H610-F616 HydrophobicContact CB-CE2 4.08Å; D612-F616 PolarHBondContact O-N 2.8Å; L613-F616 HydrophobicContact CD1-CD1 4.23Å; L613-F616 PolarHBondContact O-N 3.26Å; N614-F616 VanDerWaalsContact C-N 3.35Å; F616-R618 PolarHBondContact O-N 2.91Å; F616-A619 PolarHBondContact O-N 3.11Å; F616-H620 AromaticContact CD2-CE1 3.78Å; F616-H620 AromaticContact CE1-CE1 3.84Å; F616-H620 AromaticContact CE1-ND1 3.99Å; F616-H620 AromaticContact CE2-CE1 3.35Å; F616-H620 WeakPolarHBondContact CE2-CE1 3.49Å; F616-H620 AromaticContact CZ-CE1 3.36Å; F616-H620 WeakPolarHBondContact CZ-CE1 3.35Å; F616-H620 AromaticContact CZ-ND1 3.97Å; F616-H620 AromaticContact CZ-NE2 3.73Å; F616-H620 PolarHBondContact O-N 2.8Å; F616-H620 PolarHBondContact O-ND1 3.36Å; F616-L638 HydrophobicContact CD1-CD1 4.35Å; F616-L638 HydrophobicContact CE1-CD1 4.03Å; F616-L638 HydrophobicContact CE1-CD2 4.16Å; F616-V674 HydrophobicContact CB-CG2 4.02Å; F616-V674 HydrophobicContact CD1-CG1 4.42Å; F616-V674 HydrophobicContact CD1-CG2 4.27Å; F616-V674 HydrophobicContact CD2-CB 4.42Å; F616-V674 HydrophobicContact CD2-CG1 4.13Å; F616-V674 HydrophobicContact CE1-CG1 4.44Å; F616-V674 HydrophobicContact CE2-CG1 4.14Å; F616-V674 HydrophobicContact CG-CB 4.39Å; F616-V674 HydrophobicContact CG-CG1 4.27Å; F616-V674 HydrophobicContact CG-CG2 4.01Å; F616-V674 HydrophobicContact CZ-CG1 4.31Å; F616-L678 HydrophobicContact CE1-CD2 3.64Å; F616-L678 HydrophobicContact CZ-CD2 3.44Å; F616-L678 VanDerWaalsContact CZ-CD2 3.44Å
617	L	93.3	Very high	83.7	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-44.1	176.6	-75.9	168.7	0	0	0	112	L613 K615 A619 H620 G621 L638 T669 I736	L613-L617 HydrophobicContact CD1-CD1 4.18Å; L613-L617 HydrophobicContact CD1-CD2 4.42Å; L613-L617 HydrophobicContact CD1-CG 3.87Å; L613-L617 HydrophobicContact CD2-CD1 4.48Å; L613-L617 HydrophobicContact CG-CD1 3.88Å; L613-L617 HydrophobicContact CG-CG 4.08Å; L613-L617 VanDerWaalsContact O-CB 3.28Å; L613-L617 WeakPolarHBondContact O-CB 3.43Å; L613-L617 WeakPolarHBondContact O-CD1 3.35Å; L613-L617 WeakPolarHBondContact O-CG 3.48Å; L613-L617 PolarHBondContact O-N 3.44Å; K615-L617 PolarHBondContact O-N 2.82Å; L617-A619 PolarHBondContact O-N 3.01Å; L617-H620 CarbonylContact O-C 3.59Å; L617-H620 PolarHBondContact O-N 3Å; L617-G621 PolarHBondContact O-N 3.41Å; L617-L638 HydrophobicContact CD2-CD1 3.93Å; L617-T669 HydrophobicContact CD1-CG2 3.85Å; L617-I736 HydrophobicContact CD1-CG1 4.14Å; L617-I736 HydrophobicContact CD2-CG2 4.48Å
618	R	90.9	Very high	81.7	Confident	79 Å²	79	53.4 Å²	53.4	30%	0.298	29%	0.294	S	S	.	.	H	α-helix	trans	-63	-40.5	178.7	-74.8	170.9	-179.6	-99.5	-0.7	112.8	N614 K615 F616 H620 G621 A624 Y739 G740	N614-R618 WeakPolarHBondContact O-CB 3.43Å; N614-R618 VanDerWaalsContact O-CG 3.27Å; N614-R618 WeakPolarHBondContact O-CG 3.47Å; N614-R618 PolarHBondContact O-N 2.84Å; N614-R618 WeakPolarHBondContact OD1-CD 3.48Å; N614-R618 PolarHBondContact OD1-NE 3.45Å; K615-R618 PolarHBondContact O-N 2.76Å; F616-R618 PolarHBondContact O-N 2.91Å; R618-H620 PolarHBondContact O-N 2.89Å; R618-G621 PolarHBondContact O-N 3.31Å; R618-A624 WeakPolarHBondContact O-CB 3.45Å; R618-Y739 WeakPolarHBondContact CG-O 3.48Å; R618-G740 VanDerWaalsContact CZ-O 3.31Å; R618-G740 PolarHBondContact NE-O 2.98Å; R618-G740 VanDerWaalsContact NE-O 3.16Å; R618-G740 PolarHBondContact NH2-O 3.48Å
619	A	88	Confident	79.3	Confident	45 Å²	45	62.4 Å²	62.4	37%	0.372	34%	0.336	S	S	.	.	H	α-helix	trans	-66.2	-23.4	178.6	0	0	0	0	0	113.5	K615 F616 L617 A624	K615-A619 WeakPolarHBondContact O-CB 3.33Å; K615-A619 PolarHBondContact O-N 3.27Å; F616-A619 PolarHBondContact O-N 3.11Å; L617-A619 PolarHBondContact O-N 3.01Å; A619-A624 WeakPolarHBondContact O-CB 3.4Å
620	H	88.4	Confident	77.4	Confident	38 Å²	38	61 Å²	61	18%	0.176	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	12.9	176.8	-58.5	73.9	0	0	0	112.9	F616 L617 R618 V636 E637 L638 Y739	F616-H620 AromaticContact CD2-CE1 3.78Å; F616-H620 AromaticContact CE1-CE1 3.84Å; F616-H620 AromaticContact CE1-ND1 3.99Å; F616-H620 AromaticContact CE2-CE1 3.35Å; F616-H620 WeakPolarHBondContact CE2-CE1 3.49Å; F616-H620 AromaticContact CZ-CE1 3.36Å; F616-H620 WeakPolarHBondContact CZ-CE1 3.35Å; F616-H620 AromaticContact CZ-ND1 3.97Å; F616-H620 AromaticContact CZ-NE2 3.73Å; F616-H620 PolarHBondContact O-N 2.8Å; F616-H620 PolarHBondContact O-ND1 3.36Å; L617-H620 CarbonylContact O-C 3.59Å; L617-H620 PolarHBondContact O-N 3Å; R618-H620 PolarHBondContact O-N 2.89Å; H620-V636 PolarHBondContact CD2-O 3.31Å; H620-V636 VanDerWaalsContact CD2-O 3.31Å; H620-E637 WeakPolarHBondContact O-CA 3.14Å; H620-L638 HydrophobicContact CB-CD1 3.95Å; H620-L638 HydrophobicContact CB-CG 3.73Å; H620-Y739 WeakPolarHBondContact O-CD1 3.44Å; H620-Y739 WeakPolarHBondContact O-CE1 3.38Å
621	G	84.6	Confident	75.3	Confident	8 Å²	8	64 Å²	64	8%	0.082	37%	0.366	C	S	.	.	S	Bend	trans	-96.7	163.2	179.8	0	0	0	0	0	113.8	L617 R618 D623 A624 Y739	L617-G621 PolarHBondContact O-N 3.41Å; R618-G621 PolarHBondContact O-N 3.31Å; G621-D623 PolarHBondContact O-N 3.25Å; G621-D623 VanDerWaalsContact O-N 3.11Å; G621-A624 WeakPolarHBondContact O-CB 3.28Å; G621-A624 PolarHBondContact O-N 2.89Å; G621-Y739 VanDerWaalsContact CA-CG 3.5Å
622	P	79.6	Confident	73.1	Confident	70 Å²	70	69.4 Å²	69.4	46%	0.455	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.2	-177.3	25.1	-35.4	0	0	0	113.7	Y739	P622-Y739 HydrophobicContact CG-CD2 4.43Å; P622-Y739 HydrophobicContact CG-CE2 4.48Å
623	D	75.1	Confident	71	Confident	68 Å²	68	73.9 Å²	73.9	36%	0.364	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-4.1	177.2	-51.8	-54	0	0	0	113.3	G621 V625 L626 K741	G621-D623 PolarHBondContact O-N 3.25Å; G621-D623 VanDerWaalsContact O-N 3.11Å; D623-V625 PolarHBondContact O-N 2.77Å; D623-V625 VanDerWaalsContact O-N 3.09Å; D623-L626 WeakPolarHBondContact O-CB 3.38Å; D623-L626 PolarHBondContact O-N 3.42Å; D623-K741 WeakPolarHBondContact OD2-CE 3.38Å; D623-K741 IonicContact OD2-NZ 3.85Å; D623-K741 PolarHBondContact OD2-NZ 2.93Å
624	A	71.6	Confident	69.1	Low	19 Å²	19	83.3 Å²	83.3	16%	0.157	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-58.5	-26.8	-174.3	0	0	0	0	0	113.9	R618 A619 G621 L626 M627 A628	R618-A624 WeakPolarHBondContact O-CB 3.45Å; A619-A624 WeakPolarHBondContact O-CB 3.4Å; G621-A624 WeakPolarHBondContact O-CB 3.28Å; G621-A624 PolarHBondContact O-N 2.89Å; A624-L626 PolarHBondContact O-N 2.73Å; A624-L626 VanDerWaalsContact O-N 3.11Å; A624-M627 PolarHBondContact O-N 3.33Å; A624-A628 PolarHBondContact O-N 3.09Å
625	V	59.4	Low	67.5	Low	87 Å²	87	86.2 Å²	86.2	53%	0.527	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-59.2	-22.3	176.9	-172.4	0	0	0	0	112.1	D623	D623-V625 PolarHBondContact O-N 2.77Å; D623-V625 VanDerWaalsContact O-N 3.09Å
626	L	56.7	Low	66.6	Low	153 Å²	153	86.7 Å²	86.7	80%	0.801	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-88.3	-2.3	177	-60.5	172.8	0	0	0	113.9	D623 A624	D623-L626 WeakPolarHBondContact O-CB 3.38Å; D623-L626 PolarHBondContact O-N 3.42Å; A624-L626 PolarHBondContact O-N 2.73Å; A624-L626 VanDerWaalsContact O-N 3.11Å
627	M	53.8	Low	66	Low	117 Å²	117	91 Å²	91	58%	0.576	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	-5.1	-177.2	-59.3	-174.9	-173.3	0	0	113.4	A624 E629	A624-M627 PolarHBondContact O-N 3.33Å; M627-E629 PolarHBondContact O-N 3.14Å
628	A	53	Low	65.7	Low	56 Å²	56	91.5 Å²	91.5	46%	0.463	51%	0.509	S	S	.	.			trans	-93.7	73.9	-174.9	0	0	0	0	0	112.4	A624 G630	A624-A628 PolarHBondContact O-N 3.09Å; A628-G630 PolarHBondContact O-N 3.27Å
629	E	41.9	Very low	65.6	Low	200 Å²	200	91.1 Å²	91.1	94%	0.935	52%	0.516	S	S	*	.	S	Bend	trans	-69.1	95.9	168	-69.4	-168.7	170.7	0	0	110.4	M627	M627-E629 PolarHBondContact O-N 3.14Å
630	G	48.9	Very low	65.6	Low	76 Å²	76	93.7 Å²	93.7	78%	0.784	52%	0.52	S	S	*	.	S	Bend	trans	97.1	-0.8	163.6	0	0	0	0	0	118.1	A628	A628-G630 PolarHBondContact O-N 3.27Å
631	Q	46.1	Very low	65.6	Low	154 Å²	154	93.3 Å²	93.3	72%	0.72	52%	0.522	S	S	*	.			trans	-89.1	130.7	176.4	-70.9	-172.7	-11.6	0	0	112.5
632	T	42.6	Very low	66	Low	144 Å²	144	96.1 Å²	96.1	88%	0.883	53%	0.533	S	S	*	.			trans	-88.9	-9.6	-170.6	46.9	0	0	0	0	115
633	T	48.2	Very low	66.6	Low	112 Å²	112	93 Å²	93	69%	0.687	51%	0.512	S	S	*	.	S	Bend	trans	-117.6	125	179.3	49.5	0	0	0	0	110.6
634	R	53.5	Low	67.5	Low	198 Å²	198	90 Å²	90	75%	0.747	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-76.3	131.4	174.2	-72.2	-176.6	174.4	-175.4	-2.7	110.1
635	P	58.9	Low	68.6	Low	65 Å²	65	92.4 Å²	92.4	42%	0.422	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-57.1	145.2	160.3	-22.3	34.7	0	0	0	110.5
636	V	72.9	Confident	70.3	Confident	113 Å²	113	88.3 Å²	88.3	69%	0.685	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-76.3	138.8	174.7	-177.6	0	0	0	0	108.9	H620 L638	H620-V636 PolarHBondContact CD2-O 3.31Å; H620-V636 VanDerWaalsContact CD2-O 3.31Å; V636-L638 PolarHBondContact O-N 2.71Å
637	E	78.9	Confident	72.2	Confident	109 Å²	109	81 Å²	81	51%	0.509	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-59.4	136.6	176.5	-66.7	-169.4	156.7	0	0	111.3	H620 T639	H620-E637 WeakPolarHBondContact O-CA 3.14Å; E637-T639 PolarHBondContact O-N 2.83Å
638	L	87	Confident	74.3	Confident	10 Å²	10	76.5 Å²	76.5	5%	0.052	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-64.4	125.8	179	-72.5	166.7	0	0	0	110.9	F616 L617 H620 V636 Q642 M643 I646 L678 Y739	F616-L638 HydrophobicContact CD1-CD1 4.35Å; F616-L638 HydrophobicContact CE1-CD1 4.03Å; F616-L638 HydrophobicContact CE1-CD2 4.16Å; L617-L638 HydrophobicContact CD2-CD1 3.93Å; H620-L638 HydrophobicContact CB-CD1 3.95Å; H620-L638 HydrophobicContact CB-CG 3.73Å; V636-L638 PolarHBondContact O-N 2.71Å; L638-Q642 HydrophobicContact CD2-CB 4.21Å; L638-M643 HydrophobicContact CB-CE 4.39Å; L638-M643 HydrophobicContact CB-CG 4.46Å; L638-I646 HydrophobicContact CD1-CD1 4.25Å; L638-L678 HydrophobicContact CD2-CD2 4.48Å; L638-Y739 HydrophobicContact CB-CE1 4.33Å
639	T	88.9	Confident	76.4	Confident	71 Å²	71	74 Å²	74	44%	0.436	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-66	155.4	175.5	65.7	0	0	0	0	111.5	E637 S641 Q642 M643	E637-T639 PolarHBondContact O-N 2.83Å; T639-S641 PolarHBondContact O-N 2.95Å; T639-S641 VanDerWaalsContact O-N 3.16Å; T639-Q642 PolarHBondContact O-N 3.34Å; T639-Q642 VanDerWaalsContact OG1-CD 3.32Å; T639-Q642 WeakPolarHBondContact OG1-CG 3.46Å; T639-Q642 PolarHBondContact OG1-N 2.96Å; T639-Q642 PolarHBondContact OG1-OE1 3.12Å; T639-M643 PolarHBondContact O-N 3.25Å
640	Q	87	Confident	79.1	Confident	100 Å²	100	64.6 Å²	64.6	47%	0.467	35%	0.353	S	S	.	.	H	α-helix	trans	-55.6	-32.7	173.8	-168.4	-172.6	-63.4	0	0	112.5	M643 L644 F737 P769	Q640-M643 PolarHBondContact O-N 3.26Å; Q640-L644 HydrophobicContact CG-CD1 4.45Å; Q640-L644 WeakPolarHBondContact O-CB 3.48Å; Q640-L644 VanDerWaalsContact O-CG 3.32Å; Q640-L644 WeakPolarHBondContact O-CG 3.43Å; Q640-L644 PolarHBondContact O-N 3.03Å; Q640-F737 HydrophobicContact CG-CE1 4.24Å; Q640-P769 HydrophobicContact CG-CG 4.13Å
641	S	89.2	Confident	81.4	Confident	29 Å²	29	61 Å²	61	20%	0.203	32%	0.316	C	S	.	.	H	α-helix	trans	-66.2	-45.8	176.1	-167.6	0	0	0	0	111.5	T639 M643 L644 H645 S804	T639-S641 PolarHBondContact O-N 2.95Å; T639-S641 VanDerWaalsContact O-N 3.16Å; S641-M643 PolarHBondContact O-N 3.46Å; S641-L644 PolarHBondContact O-N 2.81Å; S641-H645 WeakPolarHBondContact O-CB 3.47Å; S641-H645 PolarHBondContact O-N 3.35Å; S641-S804 WeakPolarHBondContact CB-OG 3.18Å
642	Q	91.9	Very high	83.9	Confident	68 Å²	68	54.4 Å²	54.4	32%	0.318	29%	0.287	S	S	.	.	H	α-helix	trans	-64.5	-38.2	175.1	-69.9	159.2	-47.1	0	0	112.1	L638 T639 H645 I646 L678	L638-Q642 HydrophobicContact CD2-CB 4.21Å; T639-Q642 PolarHBondContact O-N 3.34Å; T639-Q642 VanDerWaalsContact OG1-CD 3.32Å; T639-Q642 WeakPolarHBondContact OG1-CG 3.46Å; T639-Q642 PolarHBondContact OG1-N 2.96Å; T639-Q642 PolarHBondContact OG1-OE1 3.12Å; Q642-H645 PolarHBondContact O-N 2.69Å; Q642-I646 VanDerWaalsContact O-CG1 3.26Å; Q642-I646 WeakPolarHBondContact O-CG1 3.35Å; Q642-I646 PolarHBondContact O-N 3.2Å; Q642-L678 HydrophobicContact CB-CD1 4.11Å; Q642-L678 HydrophobicContact CG-CD1 3.71Å
643	M	93.5	Very high	86.5	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-43.9	172.8	-70.6	-174.6	177.6	0	0	112.7	L638 T639 Q640 S641 H645 I646 A647 I736 F737 Y739	L638-M643 HydrophobicContact CB-CE 4.39Å; L638-M643 HydrophobicContact CB-CG 4.46Å; T639-M643 PolarHBondContact O-N 3.25Å; Q640-M643 PolarHBondContact O-N 3.26Å; S641-M643 PolarHBondContact O-N 3.46Å; M643-H645 VanDerWaalsContact C-N 3.35Å; M643-I646 PolarHBondContact O-N 2.9Å; M643-A647 WeakPolarHBondContact O-CB 3.48Å; M643-A647 PolarHBondContact O-N 3.43Å; M643-I736 HydrophobicContact CB-CG2 3.8Å; M643-I736 HydrophobicContact CG-CG2 4.01Å; M643-F737 HydrophobicContact CB-CE1 4.07Å; M643-F737 HydrophobicContact CB-CE2 4.19Å; M643-F737 HydrophobicContact CB-CZ 3.79Å; M643-F737 HydrophobicContact SD-CD1 3.73Å; M643-F737 HydrophobicContact SD-CE1 3.85Å; M643-F737 HydrophobicContact SD-CG 4.26Å; M643-F737 HydrophobicContact SD-CZ 4.45Å; M643-Y739 HydrophobicContact CE-CD1 3.93Å; M643-Y739 HydrophobicContact CE-CD2 4.37Å; M643-Y739 HydrophobicContact CE-CE1 3.28Å; M643-Y739 HydrophobicContact CE-CE2 3.81Å; M643-Y739 HydrophobicContact CE-CG 4.45Å; M643-Y739 WeakPolarHBondContact CE-OH 3.38Å
644	L	93.3	Very high	88.8	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-64.4	-39.2	175.5	-74.7	168.5	0	0	0	111.7	Q640 S641 A647 Q648 F737 V772 L797 L800	Q640-L644 HydrophobicContact CG-CD1 4.45Å; Q640-L644 WeakPolarHBondContact O-CB 3.48Å; Q640-L644 VanDerWaalsContact O-CG 3.32Å; Q640-L644 WeakPolarHBondContact O-CG 3.43Å; Q640-L644 PolarHBondContact O-N 3.03Å; S641-L644 PolarHBondContact O-N 2.81Å; L644-A647 PolarHBondContact O-N 3.06Å; L644-Q648 VanDerWaalsContact O-CB 3.29Å; L644-Q648 WeakPolarHBondContact O-CB 3.13Å; L644-Q648 PolarHBondContact O-N 2.82Å; L644-F737 HydrophobicContact CD2-CZ 4.14Å; L644-F737 HydrophobicContact CG-CZ 4.24Å; L644-V772 HydrophobicContact CD2-CG2 3.7Å; L644-L797 HydrophobicContact CD2-CD2 4.37Å; L644-L800 HydrophobicContact CD1-CB 4.24Å; L644-L800 HydrophobicContact CD2-CB 4.01Å; L644-L800 HydrophobicContact CD2-CD1 4.39Å
645	H	93.9	Very high	90.9	Very high	70 Å²	70	34.5 Å²	34.5	32%	0.324	19%	0.187	S	C	.	.	H	α-helix	trans	-63.1	-47.2	174.8	-172.7	-121.8	0	0	0	112	S641 Q642 M643 A647 Q648 Q649 T801	S641-H645 WeakPolarHBondContact O-CB 3.47Å; S641-H645 PolarHBondContact O-N 3.35Å; Q642-H645 PolarHBondContact O-N 2.69Å; M643-H645 VanDerWaalsContact C-N 3.35Å; H645-A647 VanDerWaalsContact C-N 3.33Å; H645-A647 PolarHBondContact O-N 2.88Å; H645-Q648 PolarHBondContact O-N 2.85Å; H645-Q649 PolarHBondContact CE1-NE2 3.48Å; H645-Q649 VanDerWaalsContact CE1-NE2 3.29Å; H645-Q649 PolarHBondContact ND1-NE2 2.98Å; H645-Q649 VanDerWaalsContact O-CG 3.31Å; H645-Q649 WeakPolarHBondContact O-CG 3.23Å; H645-Q649 PolarHBondContact O-N 3.22Å; H645-Q649 PolarHBondContact O-NE2 2.82Å; H645-T801 HydrophobicContact CB-CG2 4.45Å
646	I	96.8	Very high	92.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-56.9	-47.1	174	-69.8	165.1	0	0	0	110.7	L613 L638 Q642 M643 Q648 Q649 I650 V680 I736	L613-I646 HydrophobicContact CD1-CD1 4.43Å; L613-I646 HydrophobicContact CD1-CG2 4Å; L613-I646 HydrophobicContact CD2-CG2 3.74Å; L638-I646 HydrophobicContact CD1-CD1 4.25Å; Q642-I646 VanDerWaalsContact O-CG1 3.26Å; Q642-I646 WeakPolarHBondContact O-CG1 3.35Å; Q642-I646 PolarHBondContact O-N 3.2Å; M643-I646 PolarHBondContact O-N 2.9Å; I646-Q648 PolarHBondContact O-N 3.22Å; I646-Q649 PolarHBondContact O-N 3.35Å; I646-I650 HydrophobicContact CG2-CD1 4.13Å; I646-I650 WeakPolarHBondContact O-CG1 3.46Å; I646-I650 PolarHBondContact O-N 3.21Å; I646-V680 HydrophobicContact CB-CG2 4.45Å; I646-V680 HydrophobicContact CG1-CG2 4Å; I646-V680 HydrophobicContact CG2-CG2 4.21Å; I646-I736 HydrophobicContact CG2-CD1 3.87Å; I646-I736 HydrophobicContact CG2-CG1 4.12Å
647	A	96.8	Very high	93.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.8	-42.7	178	0	0	0	0	0	112.9	M643 L644 H645 A651 L733 I736 L797	M643-A647 WeakPolarHBondContact O-CB 3.48Å; M643-A647 PolarHBondContact O-N 3.43Å; L644-A647 PolarHBondContact O-N 3.06Å; H645-A647 VanDerWaalsContact C-N 3.33Å; H645-A647 PolarHBondContact O-N 2.88Å; A647-A651 WeakPolarHBondContact O-CB 3.38Å; A647-A651 PolarHBondContact O-N 3.02Å; A647-L733 HydrophobicContact CB-CD2 3.47Å; A647-L733 VanDerWaalsContact CB-CD2 3.47Å; A647-I736 HydrophobicContact CB-CD1 4.07Å; A647-L797 HydrophobicContact CB-CD1 4.29Å; A647-L797 HydrophobicContact CB-CD2 4.14Å
648	Q	96.6	Very high	94	Very high	22 Å²	22	23.7 Å²	23.7	10%	0.103	13%	0.125	C	C	.	.	H	α-helix	trans	-66.7	-40	180	177.8	-82.7	-33.4	0	0	111.9	L644 H645 I646 A651 S652 H794 L797 L798	L644-Q648 VanDerWaalsContact O-CB 3.29Å; L644-Q648 WeakPolarHBondContact O-CB 3.13Å; L644-Q648 PolarHBondContact O-N 2.82Å; H645-Q648 PolarHBondContact O-N 2.85Å; I646-Q648 PolarHBondContact O-N 3.22Å; Q648-A651 PolarHBondContact O-N 3.25Å; Q648-S652 WeakPolarHBondContact O-CB 3.48Å; Q648-S652 PolarHBondContact O-N 3.41Å; Q648-H794 PolarHBondContact NE2-NE2 3.08Å; Q648-H794 VanDerWaalsContact NE2-NE2 3.16Å; Q648-H794 PolarHBondContact O-CD2 2.89Å; Q648-L797 HydrophobicContact CB-CB 4.12Å; Q648-L798 HydrophobicContact CG-CB 4.17Å; Q648-L798 HydrophobicContact CG-CD1 4.24Å
649	Q	97.8	Very high	94.1	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.019	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-46.8	175.4	-71.3	-178.6	81.5	0	0	112	H587 H645 I646 A651 S652 G653 L678 V680	H587-Q649 WeakPolarHBondContact CB-O 3.3Å; H587-Q649 VanDerWaalsContact CE1-CG 3.48Å; H587-Q649 WeakPolarHBondContact CE1-CG 3.39Å; H645-Q649 PolarHBondContact CE1-NE2 3.48Å; H645-Q649 VanDerWaalsContact CE1-NE2 3.29Å; H645-Q649 PolarHBondContact ND1-NE2 2.98Å; H645-Q649 VanDerWaalsContact O-CG 3.31Å; H645-Q649 WeakPolarHBondContact O-CG 3.23Å; H645-Q649 PolarHBondContact O-N 3.22Å; H645-Q649 PolarHBondContact O-NE2 2.82Å; I646-Q649 PolarHBondContact O-N 3.35Å; Q649-A651 PolarHBondContact O-N 2.91Å; Q649-S652 VanDerWaalsContact O-CB 3.23Å; Q649-S652 WeakPolarHBondContact O-CB 3.46Å; Q649-S652 PolarHBondContact O-N 3.49Å; Q649-S652 VanDerWaalsContact O-N 3.14Å; Q649-G653 PolarHBondContact O-N 3.21Å; Q649-L678 PolarHBondContact NE2-O 3.19Å; Q649-V680 HydrophobicContact CB-CB 4.31Å
650	I	98.1	Very high	93.9	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-63.8	-43.4	176.8	-62.1	165.8	0	0	0	110.6	L613 I646 S652 G653 M654 L667 C672 V680 I682 L729 V732 I736	L613-I650 HydrophobicContact CD2-CD1 3.66Å; I646-I650 HydrophobicContact CG2-CD1 4.13Å; I646-I650 WeakPolarHBondContact O-CG1 3.46Å; I646-I650 PolarHBondContact O-N 3.21Å; I650-S652 PolarHBondContact O-N 3.14Å; I650-G653 PolarHBondContact O-N 3.3Å; I650-M654 PolarHBondContact O-N 3.04Å; I650-L667 HydrophobicContact CG2-CD1 4.35Å; I650-C672 HydrophobicContact CD1-CB 4.44Å; I650-V680 HydrophobicContact CD1-CG1 4.06Å; I650-V680 HydrophobicContact CG1-CG1 3.74Å; I650-I682 HydrophobicContact CG2-CD1 4.05Å; I650-I682 HydrophobicContact CG2-CG1 4.25Å; I650-L729 HydrophobicContact CG2-CD1 3.89Å; I650-V732 HydrophobicContact CD1-CG1 3.88Å; I650-V732 HydrophobicContact CG2-CG1 4.39Å; I650-I736 HydrophobicContact CD1-CD1 4.11Å
651	A	97.8	Very high	93.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-36.6	174.5	0	0	0	0	0	112	A647 Q648 Q649 M654 V655 L729 H794 L797	A647-A651 WeakPolarHBondContact O-CB 3.38Å; A647-A651 PolarHBondContact O-N 3.02Å; Q648-A651 PolarHBondContact O-N 3.25Å; Q649-A651 PolarHBondContact O-N 2.91Å; A651-M654 PolarHBondContact O-N 2.73Å; A651-V655 WeakPolarHBondContact O-CG2 3.45Å; A651-V655 PolarHBondContact O-N 2.99Å; A651-L729 HydrophobicContact CB-CD2 4.26Å; A651-H794 HydrophobicContact CB-CB 4.07Å; A651-L797 HydrophobicContact CB-CD1 3.74Å
652	S	98	Very high	93.5	Very high	17 Å²	17	28.1 Å²	28.1	12%	0.119	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-47.5	175	-159.8	0	0	0	0	111.5	H585 H587 Q648 Q649 I650 M654 V655 Y656 H794	H585-S652 PolarHBondContact CE1-O 2.94Å; H587-S652 VanDerWaalsContact CD2-CB 3.45Å; H587-S652 WeakPolarHBondContact CD2-CB 3.48Å; Q648-S652 WeakPolarHBondContact O-CB 3.48Å; Q648-S652 PolarHBondContact O-N 3.41Å; Q649-S652 VanDerWaalsContact O-CB 3.23Å; Q649-S652 WeakPolarHBondContact O-CB 3.46Å; Q649-S652 PolarHBondContact O-N 3.49Å; Q649-S652 VanDerWaalsContact O-N 3.14Å; I650-S652 PolarHBondContact O-N 3.14Å; S652-M654 VanDerWaalsContact C-N 3.32Å; S652-M654 PolarHBondContact O-N 2.63Å; S652-V655 PolarHBondContact O-N 3.39Å; S652-Y656 PolarHBondContact O-N 3.11Å; S652-Y656 VanDerWaalsContact O-N 3.14Å; S652-H794 WeakPolarHBondContact CB-NE2 3.33Å; S652-H794 PolarHBondContact N-CD2 3.34Å; S652-H794 PolarHBondContact OG-NE2 3.41Å
653	G	96.9	Very high	93.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.6	-40.9	173.4	0	0	0	0	0	112.9	Q649 I650 Y656 L657	Q649-G653 PolarHBondContact O-N 3.21Å; I650-G653 PolarHBondContact O-N 3.3Å; G653-Y656 WeakPolarHBondContact O-CB 3.29Å; G653-Y656 PolarHBondContact O-N 2.76Å; G653-L657 PolarHBondContact O-N 3.31Å
654	M	97.1	Very high	93	Very high	7 Å²	7	26.2 Å²	26.2	3%	0.034	14%	0.136	C	C	.	.	H	α-helix	trans	-70.6	-32.3	176.7	-72.2	-52.7	-49.2	0	0	113.9	I650 A651 S652 Y656 L657 A658 L667 I682 D725 I790	I650-M654 PolarHBondContact O-N 3.04Å; A651-M654 PolarHBondContact O-N 2.73Å; S652-M654 VanDerWaalsContact C-N 3.32Å; S652-M654 PolarHBondContact O-N 2.63Å; M654-Y656 VanDerWaalsContact C-N 3.28Å; M654-Y656 PolarHBondContact O-N 3.27Å; M654-L657 HydrophobicContact CE-CB 4.49Å; M654-L657 HydrophobicContact CE-CD1 4.45Å; M654-L657 PolarHBondContact O-N 2.81Å; M654-L657 HydrophobicContact SD-CD1 3.92Å; M654-A658 VanDerWaalsContact O-CB 3.3Å; M654-A658 WeakPolarHBondContact O-CB 3.42Å; M654-A658 PolarHBondContact O-N 3.35Å; M654-L667 HydrophobicContact CE-CD2 4.34Å; M654-L667 HydrophobicContact CG-CD1 4.37Å; M654-L667 HydrophobicContact CG-CD2 3.79Å; M654-L667 HydrophobicContact SD-CD1 3.9Å; M654-L667 HydrophobicContact SD-CD2 3.71Å; M654-L667 HydrophobicContact SD-CG 4.35Å; M654-I682 HydrophobicContact CG-CD1 3.77Å; M654-I682 HydrophobicContact SD-CD1 3.77Å; M654-D725 HydrophobicContact CE-CB 3.61Å; M654-I790 HydrophobicContact CB-CD1 3.7Å; M654-I790 HydrophobicContact CB-CG1 3.89Å
655	V	97.3	Very high	92.8	Very high	29 Å²	29	28.2 Å²	28.2	18%	0.176	14%	0.143	C	C	.	.	H	α-helix	trans	-59.8	-41.8	168.6	168.4	0	0	0	0	110.4	A651 S652 S659 I790 K791 H794	A651-V655 WeakPolarHBondContact O-CG2 3.45Å; A651-V655 PolarHBondContact O-N 2.99Å; S652-V655 PolarHBondContact O-N 3.39Å; V655-S659 PolarHBondContact O-N 2.96Å; V655-S659 VanDerWaalsContact O-N 3.1Å; V655-I790 HydrophobicContact CG2-CG1 3.9Å; V655-I790 HydrophobicContact CG2-CG2 4.29Å; V655-K791 HydrophobicContact CG1-CG 3.96Å; V655-K791 HydrophobicContact CG2-CG 4.07Å; V655-H794 HydrophobicContact CG2-CB 3.83Å
656	Y	95.7	Very high	92.6	Very high	33 Å²	33	25.5 Å²	25.5	13%	0.129	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-51.6	176.4	173.1	-96.2	0	0	0	112.2	N582 L583 Q584 H585 I588 S652 G653 M654 A658 S659 Q660	N582-Y656 PolarHBondContact O-OH 3.09Å; L583-Y656 HydrophobicContact CB-CE1 4.48Å; L583-Y656 HydrophobicContact CD2-CE1 4.03Å; Q584-Y656 PolarHBondContact N-OH 3.33Å; Q584-Y656 PolarHBondContact O-OH 2.75Å; H585-Y656 HydrophobicContact CB-CD1 3.55Å; H585-Y656 HydrophobicContact CB-CD2 3.74Å; H585-Y656 HydrophobicContact CB-CE1 3.78Å; H585-Y656 HydrophobicContact CB-CE2 3.96Å; H585-Y656 HydrophobicContact CB-CG 3.52Å; H585-Y656 AromaticContact CD2-CD2 3.8Å; H585-Y656 AromaticContact CD2-CG 3.85Å; H585-Y656 AromaticContact CG-CD1 4Å; H585-Y656 AromaticContact CG-CD2 3.85Å; H585-Y656 AromaticContact CG-CG 3.54Å; I588-Y656 HydrophobicContact CD1-CD1 4.5Å; I588-Y656 HydrophobicContact CG1-CD1 3.81Å; I588-Y656 HydrophobicContact CG1-CE1 4.25Å; S652-Y656 PolarHBondContact O-N 3.11Å; S652-Y656 VanDerWaalsContact O-N 3.14Å; G653-Y656 WeakPolarHBondContact O-CB 3.29Å; G653-Y656 PolarHBondContact O-N 2.76Å; M654-Y656 VanDerWaalsContact C-N 3.28Å; M654-Y656 PolarHBondContact O-N 3.27Å; Y656-A658 VanDerWaalsContact C-N 3.32Å; Y656-A658 PolarHBondContact O-N 3.47Å; Y656-S659 WeakPolarHBondContact O-CA 3.41Å; Y656-S659 WeakPolarHBondContact O-CB 3.49Å; Y656-S659 PolarHBondContact O-N 3.28Å; Y656-S659 PolarHBondContact O-OG 2.84Å; Y656-Q660 HydrophobicContact CE1-CG 4.02Å; Y656-Q660 HydrophobicContact CE2-CG 4.04Å; Y656-Q660 PolarHBondContact O-N 3.32Å; Y656-Q660 VanDerWaalsContact O-N 3.16Å
657	L	90.9	Very high	92.5	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.026	13%	0.131	C	C	.	.	H	α-helix	trans	-58.5	-42.9	179.4	-66.5	-179.5	0	0	0	112.3	L583 I588 G653 M654 S659 Q660 H661 F662	L583-L657 HydrophobicContact CD1-CD2 4.29Å; L583-L657 HydrophobicContact CD2-CD2 3.98Å; I588-L657 HydrophobicContact CD1-CD1 3.94Å; I588-L657 HydrophobicContact CD1-CD2 3.87Å; I588-L657 HydrophobicContact CD1-CG 3.75Å; I588-L657 HydrophobicContact CG1-CD2 4.38Å; G653-L657 PolarHBondContact O-N 3.31Å; M654-L657 HydrophobicContact CE-CB 4.49Å; M654-L657 HydrophobicContact CE-CD1 4.45Å; M654-L657 PolarHBondContact O-N 2.81Å; M654-L657 HydrophobicContact SD-CD1 3.92Å; L657-S659 VanDerWaalsContact C-N 3.27Å; L657-S659 PolarHBondContact O-N 3.33Å; L657-Q660 CarbonylContact O-C 3.59Å; L657-Q660 PolarHBondContact O-N 2.84Å; L657-Q660 VanDerWaalsContact O-N 3.08Å; L657-H661 PolarHBondContact O-N 3.18Å; L657-F662 HydrophobicContact CB-CB 4.31Å; L657-F662 HydrophobicContact CB-CD1 4.25Å; L657-F662 HydrophobicContact CD1-CD1 4.09Å; L657-F662 HydrophobicContact CD1-CE1 4.41Å; L657-F662 HydrophobicContact CD2-CB 4.36Å; L657-F662 HydrophobicContact CD2-CD1 3.84Å; L657-F662 HydrophobicContact CD2-CE1 4.41Å; L657-F662 HydrophobicContact CD2-CG 4.25Å; L657-F662 HydrophobicContact CG-CD1 4.27Å; L657-F662 PolarHBondContact O-N 2.88Å
658	A	89.9	Confident	92.4	Very high	21 Å²	21	25.4 Å²	25.4	17%	0.174	13%	0.131	C	C	.	.	H	α-helix	trans	-61.3	-33.7	174.2	0	0	0	0	0	112.8	M654 Y656 Q660 H661 T722 I790	M654-A658 VanDerWaalsContact O-CB 3.3Å; M654-A658 WeakPolarHBondContact O-CB 3.42Å; M654-A658 PolarHBondContact O-N 3.35Å; Y656-A658 VanDerWaalsContact C-N 3.32Å; Y656-A658 PolarHBondContact O-N 3.47Å; A658-Q660 VanDerWaalsContact C-N 3.31Å; A658-Q660 PolarHBondContact O-N 3.42Å; A658-H661 PolarHBondContact O-N 3.35Å; A658-T722 HydrophobicContact CB-CG2 3.68Å; A658-I790 HydrophobicContact CB-CG2 3.99Å
659	S	89.1	Confident	92.3	Very high	57 Å²	57	24.4 Å²	24.4	40%	0.399	13%	0.126	S	C	.	.	H	α-helix	trans	-69.2	-26.4	175	81.5	0	0	0	0	113.6	V655 Y656 L657 H661	V655-S659 PolarHBondContact O-N 2.96Å; V655-S659 VanDerWaalsContact O-N 3.1Å; Y656-S659 WeakPolarHBondContact O-CA 3.41Å; Y656-S659 WeakPolarHBondContact O-CB 3.49Å; Y656-S659 PolarHBondContact O-N 3.28Å; Y656-S659 PolarHBondContact O-OG 2.84Å; L657-S659 VanDerWaalsContact C-N 3.27Å; L657-S659 PolarHBondContact O-N 3.33Å; S659-H661 VanDerWaalsContact C-N 3.3Å
660	Q	85.4	Confident	92	Very high	99 Å²	99	24.4 Å²	24.4	46%	0.463	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	9.2	175.1	-55	-49.9	-67.7	0	0	112.4	L583 Y656 L657 A658 F662	L583-Q660 HydrophobicContact CD2-CB 4.25Å; L583-Q660 HydrophobicContact CD2-CG 4.23Å; Y656-Q660 HydrophobicContact CE1-CG 4.02Å; Y656-Q660 HydrophobicContact CE2-CG 4.04Å; Y656-Q660 PolarHBondContact O-N 3.32Å; Y656-Q660 VanDerWaalsContact O-N 3.16Å; L657-Q660 CarbonylContact O-C 3.59Å; L657-Q660 PolarHBondContact O-N 2.84Å; L657-Q660 VanDerWaalsContact O-N 3.08Å; A658-Q660 VanDerWaalsContact C-N 3.31Å; A658-Q660 PolarHBondContact O-N 3.42Å; Q660-F662 PolarHBondContact O-N 2.88Å; Q660-F662 VanDerWaalsContact O-N 3.17Å
661	H	82.9	Confident	91.7	Very high	125 Å²	125	24.4 Å²	24.4	58%	0.579	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	29.5	-172.6	-57.6	-60.5	0	0	0	114	Q503 L657 A658 S659	Q503-H661 PolarHBondContact NE2-O 2.9Å; L657-H661 PolarHBondContact O-N 3.18Å; A658-H661 PolarHBondContact O-N 3.35Å; S659-H661 VanDerWaalsContact C-N 3.3Å
662	F	83.3	Confident	91.6	Very high	22 Å²	22	24.4 Å²	24.4	10%	0.096	13%	0.126	C	C	.	.			trans	-92.2	136.8	177.3	-171.7	-86.6	0	0	0	110.1	Y504 L583 L657 Q660	Y504-F662 AromaticContact CE2-CE2 3.86Å; Y504-F662 HydrophobicContact CE2-CE2 3.86Å; Y504-F662 AromaticContact CE2-CZ 3.98Å; Y504-F662 HydrophobicContact CE2-CZ 3.98Å; Y504-F662 WeakPolarHBondContact OH-CZ 3.38Å; L583-F662 HydrophobicContact CD1-CD2 3.91Å; L583-F662 HydrophobicContact CD1-CE2 3.78Å; L583-F662 HydrophobicContact CD1-CG 4.36Å; L583-F662 HydrophobicContact CD1-CZ 4.12Å; L657-F662 HydrophobicContact CB-CB 4.31Å; L657-F662 HydrophobicContact CB-CD1 4.25Å; L657-F662 HydrophobicContact CD1-CD1 4.09Å; L657-F662 HydrophobicContact CD1-CE1 4.41Å; L657-F662 HydrophobicContact CD2-CB 4.36Å; L657-F662 HydrophobicContact CD2-CD1 3.84Å; L657-F662 HydrophobicContact CD2-CE1 4.41Å; L657-F662 HydrophobicContact CD2-CG 4.25Å; L657-F662 HydrophobicContact CG-CD1 4.27Å; L657-F662 PolarHBondContact O-N 2.88Å; Q660-F662 PolarHBondContact O-N 2.88Å; Q660-F662 VanDerWaalsContact O-N 3.17Å
663	V	87.3	Confident	91.4	Very high	20 Å²	20	24.2 Å²	24.2	12%	0.121	12%	0.123	C	C	.	.			trans	-122.2	120	-179.6	-178.4	0	0	0	0	108.4	R665 F720 D725	V663-R665 HydrophobicContact CG1-CG 3.96Å; V663-F720 HydrophobicContact CG1-CB 4.21Å; V663-D725 VanDerWaalsContact CA-OD2 3.27Å; V663-D725 WeakPolarHBondContact CA-OD2 3.41Å; V663-D725 WeakPolarHBondContact CG1-OD2 3.19Å
664	H	89.1	Confident	91.3	Very high	14 Å²	14	24.3 Å²	24.3	7%	0.065	12%	0.124	C	C	.	.			trans	-80.2	-36.7	-168.9	-170.9	-18.3	0	0	0	113.2	D666 L667 I682 D725	H664-D666 PolarHBondContact O-N 3.36Å; H664-L667 HydrophobicContact CB-CB 4.48Å; H664-I682 VanDerWaalsContact CD2-CG2 3.43Å; H664-I682 WeakPolarHBondContact CD2-CG2 3.3Å; H664-I682 WeakPolarHBondContact NE2-CG2 3.34Å; H664-D725 PolarHBondContact N-OD1 2.73Å; H664-D725 PolarHBondContact N-OD2 3.11Å
665	R	88.3	Confident	91.1	Very high	45 Å²	45	24.1 Å²	24.1	17%	0.17	12%	0.124	C	C	.	.	S	Bend	trans	66	-24.6	175.1	-46.8	-177.4	175.2	-144	-7.6	117.5	N501 P502 V663 F720 D725	N501-R665 VanDerWaalsContact CG-CZ 3.41Å; N501-R665 PolarHBondContact ND2-NE 3.15Å; N501-R665 PolarHBondContact OD1-NH2 2.99Å; P502-R665 VanDerWaalsContact CD-NH2 3.3Å; V663-R665 HydrophobicContact CG1-CG 3.96Å; R665-F720 HydrophobicContact CB-CD1 3.85Å; R665-F720 HydrophobicContact CB-CE1 4.1Å; R665-F720 HydrophobicContact CG-CB 4.02Å; R665-F720 HydrophobicContact CG-CD1 3.76Å; R665-F720 HydrophobicContact CG-CE1 4.43Å; R665-F720 HydrophobicContact CG-CG 3.98Å; R665-D725 PolarHBondContact N-OD1 2.85Å
666	D	89.3	Confident	90.7	Very high	13 Å²	13	27.8 Å²	27.8	7%	0.07	14%	0.139	C	C	.	.			trans	-130	42.4	178.3	-166	17.2	0	0	0	110.8	H664 A668 R670 N671 Y696 P706	H664-D666 PolarHBondContact O-N 3.36Å; D666-A668 PolarHBondContact O-N 3.2Å; D666-R670 IonicContact OD1-CZ 3.39Å; D666-R670 IonicContact OD1-NE 2.73Å; D666-R670 IonicContact OD1-NH2 2.95Å; D666-R670 PolarHBondContact OD1-NH2 3.01Å; D666-N671 VanDerWaalsContact CG-ND2 3.3Å; D666-N671 PolarHBondContact O-ND2 2.96Å; D666-N671 PolarHBondContact OD2-ND2 3.16Å; D666-Y696 WeakPolarHBondContact OD2-CE1 3.5Å; D666-Y696 PolarHBondContact OD2-OH 3.1Å; D666-P706 HydrophobicContact CB-CG 4.31Å; D666-P706 VanDerWaalsContact OD1-CB 3.26Å; D666-P706 WeakPolarHBondContact OD1-CB 3.27Å; D666-P706 WeakPolarHBondContact OD1-CG 3.48Å
667	L	94.5	Very high	90.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.			trans	-72	108.5	175	179	70.2	0	0	0	109.9	I650 M654 H664 I682 W709 L729 V732	I650-L667 HydrophobicContact CG2-CD1 4.35Å; M654-L667 HydrophobicContact CE-CD2 4.34Å; M654-L667 HydrophobicContact CG-CD1 4.37Å; M654-L667 HydrophobicContact CG-CD2 3.79Å; M654-L667 HydrophobicContact SD-CD1 3.9Å; M654-L667 HydrophobicContact SD-CD2 3.71Å; M654-L667 HydrophobicContact SD-CG 4.35Å; H664-L667 HydrophobicContact CB-CB 4.48Å; L667-I682 HydrophobicContact CD1-CD1 4.29Å; L667-I682 HydrophobicContact CD1-CG2 4.17Å; L667-W709 VanDerWaalsContact O-CD1 3.32Å; L667-L729 HydrophobicContact CD2-CB 3.91Å; L667-L729 HydrophobicContact CD2-CD1 4.49Å; L667-V732 HydrophobicContact CG-CG2 4.12Å
668	A	95.2	Very high	90.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-152.5	157.7	-178.6	0	0	0	0	0	109.7	D666 R670 N671 C672 W709	D666-A668 PolarHBondContact O-N 3.2Å; A668-R670 HydrophobicContact CB-CG 3.9Å; A668-R670 VanDerWaalsContact CB-CZ 3.46Å; A668-R670 PolarHBondContact O-N 3.38Å; A668-R670 VanDerWaalsContact O-N 3.12Å; A668-N671 PolarHBondContact O-N 2.88Å; A668-C672 PolarHBondContact O-N 3.37Å; A668-W709 HydrophobicContact CB-CD2 4.1Å; A668-W709 HydrophobicContact CB-CG 4.14Å; A668-W709 HydrophobicContact CB-CZ2 4.26Å; A668-W709 VanDerWaalsContact CB-NE1 3.33Å
669	T	95.4	Very high	90.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-61.9	-24.9	-178.4	63.3	0	0	0	0	113.9	L613 N614 L617 N671 C672 V732 E735 I736	L613-T669 WeakPolarHBondContact CB-O 3.34Å; L613-T669 HydrophobicContact CD2-CG2 4Å; L613-T669 HydrophobicContact CG-CG2 4.32Å; L613-T669 PolarHBondContact N-O 3.46Å; N614-T669 VanDerWaalsContact CB-OG1 3.31Å; N614-T669 WeakPolarHBondContact CB-OG1 3.43Å; N614-T669 PolarHBondContact N-O 3.46Å; N614-T669 PolarHBondContact ND2-OG1 2.84Å; L617-T669 HydrophobicContact CD1-CG2 3.85Å; T669-N671 PolarHBondContact O-N 3.2Å; T669-C672 PolarHBondContact O-N 3.44Å; T669-V732 HydrophobicContact CG2-CG1 3.96Å; T669-E735 HydrophobicContact CG2-CB 3.56Å; T669-E735 HydrophobicContact CG2-CG 4.26Å; T669-E735 PolarHBondContact N-OE1 3.49Å; T669-E735 PolarHBondContact N-OE2 2.96Å; T669-E735 VanDerWaalsContact OG1-CD 3.29Å; T669-E735 PolarHBondContact OG1-OE1 3.49Å; T669-I736 HydrophobicContact CG2-CG1 4.33Å
670	R	91.4	Very high	91	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.019	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-63.2	-18	171.8	61.9	172.9	176.3	-77.3	-17.7	114.4	N614 D666 A668 Y692 D695 Y696	N614-R670 HydrophobicContact CB-CB 4.33Å; D666-R670 IonicContact OD1-CZ 3.39Å; D666-R670 IonicContact OD1-NE 2.73Å; D666-R670 IonicContact OD1-NH2 2.95Å; D666-R670 PolarHBondContact OD1-NH2 3.01Å; A668-R670 HydrophobicContact CB-CG 3.9Å; A668-R670 VanDerWaalsContact CB-CZ 3.46Å; A668-R670 PolarHBondContact O-N 3.38Å; A668-R670 VanDerWaalsContact O-N 3.12Å; R670-Y692 HydrophobicContact CB-CD1 4.37Å; R670-Y692 HydrophobicContact CB-CD2 3.91Å; R670-Y692 HydrophobicContact CB-CE1 4.41Å; R670-Y692 HydrophobicContact CB-CE2 3.93Å; R670-Y692 HydrophobicContact CB-CG 4.14Å; R670-D695 IonicContact CZ-OD2 2.63Å; R670-D695 IonicContact NH1-OD2 2.61Å; R670-D695 PolarHBondContact NH1-OD2 2.85Å; R670-Y696 PolarHBondContact NE-OH 3Å
671	N	91.9	Very high	91.6	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-112.5	10.2	179.7	-62.5	-16.3	0	0	0	111.9	D666 A668 T669 G683 S688	D666-N671 VanDerWaalsContact CG-ND2 3.3Å; D666-N671 PolarHBondContact O-ND2 2.96Å; D666-N671 PolarHBondContact OD2-ND2 3.16Å; A668-N671 PolarHBondContact O-N 2.88Å; T669-N671 PolarHBondContact O-N 3.2Å; N671-G683 PolarHBondContact O-N 2.89Å; N671-S688 PolarHBondContact OD1-OG 3.46Å
672	C	94.9	Very high	92.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141.5	162.9	-59	0	0	0	0	108.7	D612 L613 I650 A668 T669 V680 K681	D612-C672 CarbonylContact C-O 3.59Å; D612-C672 WeakPolarHBondContact CA-O 3.24Å; L613-C672 HydrophobicContact CB-CB 3.91Å; L613-C672 WeakPolarHBondContact CB-O 3.07Å; L613-C672 HydrophobicContact CD2-CB 3.88Å; L613-C672 PolarHBondContact N-O 2.87Å; I650-C672 HydrophobicContact CD1-CB 4.44Å; A668-C672 PolarHBondContact O-N 3.37Å; T669-C672 PolarHBondContact O-N 3.44Å; C672-V680 HydrophobicContact CB-CG1 4.21Å; C672-K681 CarbonylContact C-O 3.56Å; C672-K681 WeakPolarHBondContact CA-O 3.48Å
673	L	94	Very high	92.2	Very high	13 Å²	13	24 Å²	24	7%	0.068	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	151.6	178.5	-59.4	-172.9	0	0	0	111.3	V589 M608 G611 D612 V680 K681 F685 M687	V589-L673 HydrophobicContact CG1-CD1 4.42Å; V589-L673 HydrophobicContact CG2-CB 4.27Å; V589-L673 HydrophobicContact CG2-CD1 4.01Å; V589-L673 HydrophobicContact CG2-CG 4.26Å; M608-L673 HydrophobicContact CB-CB 3.62Å; M608-L673 HydrophobicContact CB-CD1 3.97Å; M608-L673 HydrophobicContact CB-CG 4.41Å; M608-L673 HydrophobicContact CE-CB 4.04Å; M608-L673 VanDerWaalsContact CE-O 3.28Å; M608-L673 WeakPolarHBondContact CE-O 3.43Å; M608-L673 HydrophobicContact CG-CB 3.65Å; M608-L673 HydrophobicContact CG-CD1 3.85Å; M608-L673 HydrophobicContact CG-CG 4.42Å; G611-L673 CarbonylContact O-C 3.58Å; G611-L673 WeakPolarHBondContact O-CA 3.11Å; D612-L673 HydrophobicContact CB-CD2 4.21Å; L673-V680 WeakPolarHBondContact O-CA 3.22Å; L673-K681 PolarHBondContact N-O 3.04Å; L673-K681 PolarHBondContact O-N 3.45Å; L673-F685 HydrophobicContact CD1-CD2 3.81Å; L673-F685 HydrophobicContact CD1-CE2 3.65Å; L673-F685 HydrophobicContact CD1-CZ 4.29Å; L673-F685 HydrophobicContact CG-CD2 4.35Å; L673-M687 HydrophobicContact CD2-CE 4.43Å
674	V	95.3	Very high	91.2	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.5	-177.3	-172.5	0	0	0	0	110.8	M608 H610 G611 L613 F616 V680	M608-V674 CarbonylContact C-O 3.56Å; H610-V674 HydrophobicContact CB-CB 3.99Å; H610-V674 HydrophobicContact CB-CG1 4.04Å; H610-V674 WeakPolarHBondContact CB-O 3.27Å; H610-V674 PolarHBondContact N-O 2.76Å; G611-V674 PolarHBondContact O-N 3.47Å; L613-V674 HydrophobicContact CB-CG2 3.86Å; L613-V674 HydrophobicContact CD1-CG2 3.66Å; L613-V674 HydrophobicContact CG-CG2 4.36Å; F616-V674 HydrophobicContact CB-CG2 4.02Å; F616-V674 HydrophobicContact CD1-CG1 4.42Å; F616-V674 HydrophobicContact CD1-CG2 4.27Å; F616-V674 HydrophobicContact CD2-CB 4.42Å; F616-V674 HydrophobicContact CD2-CG1 4.13Å; F616-V674 HydrophobicContact CE1-CG1 4.44Å; F616-V674 HydrophobicContact CE2-CG1 4.14Å; F616-V674 HydrophobicContact CG-CB 4.39Å; F616-V674 HydrophobicContact CG-CG1 4.27Å; F616-V674 HydrophobicContact CG-CG2 4.01Å; F616-V674 HydrophobicContact CZ-CG1 4.31Å; V674-V680 HydrophobicContact CG2-CG2 4.33Å
675	G	91.3	Very high	89.5	Confident	4 Å²	4	25.3 Å²	25.3	4%	0.041	13%	0.13	C	C	.	.			trans	-96.9	-171	174.5	0	0	0	0	0	111.7	M608 H610 L679	M608-G675 VanDerWaalsContact CE-N 3.26Å; H610-G675 PolarHBondContact CD2-O 2.97Å; G675-L679 PolarHBondContact N-O 3.08Å
676	E	88.9	Confident	87.8	Confident	106 Å²	106	23.5 Å²	23.5	50%	0.495	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-62.4	157.9	177.3	-56.5	-164.1	136	0	0	111.7	K609 L678 L679	K609-E676 HydrophobicContact CB-CG 4.35Å; K609-E676 HydrophobicContact CD-CG 3.69Å; K609-E676 WeakPolarHBondContact CD-OE1 3.3Å; K609-E676 WeakPolarHBondContact CE-OE1 3.37Å; K609-E676 IonicContact NZ-OE1 3.45Å; K609-E676 PolarHBondContact NZ-OE1 3.42Å; E676-L678 PolarHBondContact O-N 3.32Å; E676-L678 VanDerWaalsContact O-N 3.14Å; E676-L679 VanDerWaalsContact O-CB 3.29Å; E676-L679 WeakPolarHBondContact O-CB 3.38Å; E676-L679 PolarHBondContact O-N 3.3Å
677	N	88.2	Confident	85.8	Confident	160 Å²	160	25.2 Å²	25.2	86%	0.856	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	56.2	28.3	178.2	-54.4	-32.2	0	0	0	115.2	L679	N677-L679 PolarHBondContact O-N 3.03Å
678	L	91.9	Very high	83.7	Confident	36 Å²	36	25.5 Å²	25.5	19%	0.188	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	58.8	28.7	-174.1	-58.9	173.5	0	0	0	113.9	F616 L638 Q642 Q649 E676 V680	F616-L678 HydrophobicContact CE1-CD2 3.64Å; F616-L678 HydrophobicContact CZ-CD2 3.44Å; F616-L678 VanDerWaalsContact CZ-CD2 3.44Å; L638-L678 HydrophobicContact CD2-CD2 4.48Å; Q642-L678 HydrophobicContact CB-CD1 4.11Å; Q642-L678 HydrophobicContact CG-CD1 3.71Å; Q649-L678 PolarHBondContact NE2-O 3.19Å; E676-L678 PolarHBondContact O-N 3.32Å; E676-L678 VanDerWaalsContact O-N 3.14Å; L678-V680 PolarHBondContact O-N 3.41Å
679	L	95.6	Very high	81.8	Confident	53 Å²	53	29.2 Å²	29.2	28%	0.277	15%	0.15	S	C	.	.			trans	-65.8	118.7	167.9	178.3	57.9	0	0	0	109.5	G675 E676 N677 K681	G675-L679 PolarHBondContact N-O 3.08Å; E676-L679 VanDerWaalsContact O-CB 3.29Å; E676-L679 WeakPolarHBondContact O-CB 3.38Å; E676-L679 PolarHBondContact O-N 3.3Å; N677-L679 PolarHBondContact O-N 3.03Å; L679-K681 HydrophobicContact CG-CG 4.35Å
680	V	97.3	Very high	80.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.1	179.5	179.7	0	0	0	0	110	H587 L613 I646 Q649 I650 C672 L673 V674 L678	H587-V680 PolarHBondContact ND1-O 2.8Å; L613-V680 HydrophobicContact CD2-CG1 4.17Å; I646-V680 HydrophobicContact CB-CG2 4.45Å; I646-V680 HydrophobicContact CG1-CG2 4Å; I646-V680 HydrophobicContact CG2-CG2 4.21Å; Q649-V680 HydrophobicContact CB-CB 4.31Å; I650-V680 HydrophobicContact CD1-CG1 4.06Å; I650-V680 HydrophobicContact CG1-CG1 3.74Å; C672-V680 HydrophobicContact CB-CG1 4.21Å; L673-V680 WeakPolarHBondContact O-CA 3.22Å; V674-V680 HydrophobicContact CG2-CG2 4.33Å; L678-V680 PolarHBondContact O-N 3.41Å
681	K	97	Very high	78.8	Confident	18 Å²	18	37.7 Å²	37.7	8%	0.078	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.6	179.1	-51.7	-170	179.5	-166.2	0	111.2	E586 H587 V589 E606 M608 C672 L673 L679	E586-K681 WeakPolarHBondContact O-CD 3.39Å; E586-K681 WeakPolarHBondContact O-CE 3.45Å; H587-K681 CarbonylContact O-C 3.57Å; H587-K681 WeakPolarHBondContact O-CA 3.17Å; V589-K681 HydrophobicContact CG2-CB 3.62Å; E606-K681 WeakPolarHBondContact OE1-CD 3.35Å; E606-K681 WeakPolarHBondContact OE1-CE 3.23Å; E606-K681 IonicContact OE1-NZ 3.97Å; E606-K681 PolarHBondContact OE1-NZ 3.3Å; E606-K681 WeakPolarHBondContact OE2-CE 3.27Å; E606-K681 IonicContact OE2-NZ 2.62Å; E606-K681 PolarHBondContact OE2-NZ 3.25Å; M608-K681 HydrophobicContact CE-CB 3.88Å; M608-K681 HydrophobicContact CE-CD 4Å; M608-K681 HydrophobicContact CE-CG 3.65Å; M608-K681 HydrophobicContact SD-CD 4.13Å; M608-K681 HydrophobicContact SD-CG 4.44Å; C672-K681 CarbonylContact C-O 3.56Å; C672-K681 WeakPolarHBondContact CA-O 3.48Å; L673-K681 PolarHBondContact N-O 3.04Å; L673-K681 PolarHBondContact O-N 3.45Å; L679-K681 HydrophobicContact CG-CG 4.35Å
682	I	94.6	Very high	77.9	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138.5	176.4	-52.1	172.1	0	0	0	109.2	H587 I588 V589 I650 M654 H664 L667	H587-I682 PolarHBondContact O-N 3.05Å; I588-I682 HydrophobicContact CD1-CB 4.02Å; I588-I682 HydrophobicContact CD1-CD1 4.29Å; V589-I682 WeakPolarHBondContact CG2-O 3.48Å; V589-I682 PolarHBondContact N-O 2.56Å; I650-I682 HydrophobicContact CG2-CD1 4.05Å; I650-I682 HydrophobicContact CG2-CG1 4.25Å; M654-I682 HydrophobicContact CG-CD1 3.77Å; M654-I682 HydrophobicContact SD-CD1 3.77Å; H664-I682 VanDerWaalsContact CD2-CG2 3.43Å; H664-I682 WeakPolarHBondContact CD2-CG2 3.3Å; H664-I682 WeakPolarHBondContact NE2-CG2 3.34Å; L667-I682 HydrophobicContact CD1-CD1 4.29Å; L667-I682 HydrophobicContact CD1-CG2 4.17Å
683	G	84.1	Confident	77	Confident	10 Å²	10	41.6 Å²	41.6	10%	0.103	22%	0.223	C	C	.	.			trans	-153.3	148.3	173.2	0	0	0	0	0	113.5	N671 F685	N671-G683 PolarHBondContact O-N 2.89Å; G683-F685 VanDerWaalsContact C-N 3.32Å; G683-F685 PolarHBondContact O-N 3.45Å; G683-F685 VanDerWaalsContact O-N 3.09Å
684	D	67.7	Low	76.2	Confident	55 Å²	55	45.6 Å²	45.6	29%	0.294	25%	0.248	S	C	.	.			trans	-88.8	68.8	179.5	-163.8	-2.6	0	0	0	111.6	Y504	Y504-D684 PolarHBondContact OH-OD2 3.33Å
685	F	52.3	Low	75.5	Confident	7 Å²	7	45.9 Å²	45.9	3%	0.031	25%	0.25	C	C	.	.			trans	-97.3	95.8	178.9	-67.3	-84.4	0	0	0	111.3	V589 F605 L673 G683 M687 S688	V589-F685 HydrophobicContact CB-CE2 3.9Å; V589-F685 HydrophobicContact CB-CZ 4.4Å; V589-F685 HydrophobicContact CG1-CE2 3.68Å; V589-F685 HydrophobicContact CG1-CZ 3.75Å; V589-F685 HydrophobicContact CG2-CE2 4.08Å; F605-F685 HydrophobicContact CB-CE1 4.38Å; F605-F685 HydrophobicContact CB-CZ 4.04Å; F605-F685 HydrophobicContact CD1-CE1 4.07Å; F605-F685 AromaticContact CD1-CZ 3.61Å; F605-F685 HydrophobicContact CD1-CZ 3.61Å; F605-F685 AromaticContact CD2-CE1 3.69Å; F605-F685 HydrophobicContact CD2-CE1 3.69Å; F605-F685 HydrophobicContact CD2-CZ 4.05Å; F605-F685 HydrophobicContact CE1-CE1 4.2Å; F605-F685 AromaticContact CE1-CZ 3.95Å; F605-F685 HydrophobicContact CE1-CZ 3.95Å; F605-F685 AromaticContact CE2-CE1 3.84Å; F605-F685 HydrophobicContact CE2-CE1 3.84Å; F605-F685 HydrophobicContact CE2-CZ 4.36Å; F605-F685 AromaticContact CG-CE1 3.81Å; F605-F685 HydrophobicContact CG-CE1 3.81Å; F605-F685 AromaticContact CG-CZ 3.66Å; F605-F685 HydrophobicContact CG-CZ 3.66Å; F605-F685 HydrophobicContact CZ-CE1 4.09Å; F605-F685 HydrophobicContact CZ-CZ 4.32Å; L673-F685 HydrophobicContact CD1-CD2 3.81Å; L673-F685 HydrophobicContact CD1-CE2 3.65Å; L673-F685 HydrophobicContact CD1-CZ 4.29Å; L673-F685 HydrophobicContact CG-CD2 4.35Å; G683-F685 VanDerWaalsContact C-N 3.32Å; G683-F685 PolarHBondContact O-N 3.45Å; G683-F685 VanDerWaalsContact O-N 3.09Å; F685-M687 HydrophobicContact CB-CB 4.42Å; F685-M687 HydrophobicContact CB-CE 3.53Å; F685-M687 HydrophobicContact CB-CG 4.16Å; F685-M687 HydrophobicContact CD1-CE 3.91Å; F685-M687 HydrophobicContact CG-CE 3.75Å; F685-M687 PolarHBondContact O-N 3.09Å; F685-S688 PolarHBondContact O-N 2.9Å
686	G	53	Low	75	Confident	8 Å²	8	46.3 Å²	46.3	8%	0.082	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	3.6	171.2	0	0	0	0	0	116.4	S688 R689	G686-S688 PolarHBondContact O-N 2.9Å; G686-R689 PolarHBondContact O-N 2.98Å
687	M	46.9	Very low	74.5	Confident	48 Å²	48	44.5 Å²	44.5	24%	0.236	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-31.5	163.8	-66.6	-167.4	-70.9	0	0	113.3	V540 L673 F685 R689	V540-M687 HydrophobicContact CB-CG 4Å; V540-M687 HydrophobicContact CB-SD 3.56Å; V540-M687 VanDerWaalsContact CB-SD 3.56Å; V540-M687 HydrophobicContact CG1-SD 3.72Å; V540-M687 HydrophobicContact CG2-CG 3.39Å; V540-M687 HydrophobicContact CG2-SD 3.6Å; V540-M687 VanDerWaalsContact CG2-SD 3.6Å; L673-M687 HydrophobicContact CD2-CE 4.43Å; F685-M687 HydrophobicContact CB-CB 4.42Å; F685-M687 HydrophobicContact CB-CE 3.53Å; F685-M687 HydrophobicContact CB-CG 4.16Å; F685-M687 HydrophobicContact CD1-CE 3.91Å; F685-M687 HydrophobicContact CG-CE 3.75Å; F685-M687 PolarHBondContact O-N 3.09Å; M687-R689 VanDerWaalsContact C-N 3.31Å; M687-R689 PolarHBondContact O-N 3.07Å
688	S	51	Low	73.9	Confident	7 Å²	7	44.4 Å²	44.4	5%	0.049	23%	0.227	C	C	.	.	H	α-helix	trans	-72.1	-21.6	-171.7	57.3	0	0	0	0	113.5	N671 F685 G686 D690 Y692	N671-S688 PolarHBondContact OD1-OG 3.46Å; F685-S688 PolarHBondContact O-N 2.9Å; G686-S688 PolarHBondContact O-N 2.9Å; S688-D690 PolarHBondContact O-N 2.86Å; S688-Y692 WeakPolarHBondContact O-CA 3.33Å; S688-Y692 VanDerWaalsContact O-CB 3.23Å; S688-Y692 WeakPolarHBondContact O-CB 3.43Å; S688-Y692 VanDerWaalsContact O-CD2 3.3Å; S688-Y692 WeakPolarHBondContact O-CD2 3.38Å; S688-Y692 PolarHBondContact O-N 3.04Å
689	R	56.1	Low	72.6	Confident	78 Å²	78	43.8 Å²	43.8	29%	0.294	23%	0.225	S	C	.	.	H	α-helix	trans	-67.8	-30.2	-160.8	-69.3	-173.5	178.2	170.5	4.7	116.5	A536 G686 M687 S693 Y696	A536-R689 HydrophobicContact CB-CB 4.44Å; G686-R689 PolarHBondContact O-N 2.98Å; M687-R689 VanDerWaalsContact C-N 3.31Å; M687-R689 PolarHBondContact O-N 3.07Å; R689-S693 WeakPolarHBondContact O-CA 3.41Å; R689-S693 WeakPolarHBondContact O-CB 3.35Å; R689-S693 PolarHBondContact O-N 3.48Å; R689-S693 VanDerWaalsContact O-N 3.16Å; R689-Y696 HydrophobicContact CG-CE2 3.99Å
690	D	59.8	Low	70.7	Confident	86 Å²	86	43.4 Å²	43.4	46%	0.46	23%	0.233	S	C	.	.	H	α-helix	trans	-85.5	-45.9	-178.3	-61.8	-53.7	0	0	0	111.3	G535 S688 S693	G535-D690 VanDerWaalsContact CA-OD2 3.29Å; G535-D690 WeakPolarHBondContact CA-OD2 3.36Å; S688-D690 PolarHBondContact O-N 2.86Å; D690-S693 VanDerWaalsContact O-CB 3.3Å; D690-S693 WeakPolarHBondContact O-CB 3.43Å; D690-S693 PolarHBondContact O-N 3.32Å; D690-S693 PolarHBondContact O-OG 2.87Å
691	V	63.4	Low	68.5	Low	96 Å²	96	45.5 Å²	45.5	58%	0.582	26%	0.255	S	S	*	.	H	α-helix	trans	-64.6	-39.4	174.8	-179.3	0	0	0	0	112
692	Y	73	Confident	66.3	Low	20 Å²	20	52.9 Å²	52.9	8%	0.078	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	27.8	178.1	-61.3	-83.1	0	0	0	112.6	D612 N614 K615 R670 S688 T694 D695 Y696	D612-Y692 PolarHBondContact OD1-OH 3.45Å; N614-Y692 HydrophobicContact CB-CE1 4.14Å; N614-Y692 WeakPolarHBondContact OD1-CE1 3.46Å; K615-Y692 WeakPolarHBondContact CG-OH 3.28Å; R670-Y692 HydrophobicContact CB-CD1 4.37Å; R670-Y692 HydrophobicContact CB-CD2 3.91Å; R670-Y692 HydrophobicContact CB-CE1 4.41Å; R670-Y692 HydrophobicContact CB-CE2 3.93Å; R670-Y692 HydrophobicContact CB-CG 4.14Å; S688-Y692 WeakPolarHBondContact O-CA 3.33Å; S688-Y692 VanDerWaalsContact O-CB 3.23Å; S688-Y692 WeakPolarHBondContact O-CB 3.43Å; S688-Y692 VanDerWaalsContact O-CD2 3.3Å; S688-Y692 WeakPolarHBondContact O-CD2 3.38Å; S688-Y692 PolarHBondContact O-N 3.04Å; Y692-T694 PolarHBondContact O-N 3.4Å; Y692-D695 WeakPolarHBondContact O-CB 3.41Å; Y692-D695 PolarHBondContact O-N 3.29Å; Y692-Y696 WeakPolarHBondContact O-CD2 3.43Å
693	S	74.9	Confident	64.9	Low	64 Å²	64	54.3 Å²	54.3	45%	0.448	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-56.1	-25.3	-177	47.1	0	0	0	0	114.4	R689 D690 D695	R689-S693 WeakPolarHBondContact O-CA 3.41Å; R689-S693 WeakPolarHBondContact O-CB 3.35Å; R689-S693 PolarHBondContact O-N 3.48Å; R689-S693 VanDerWaalsContact O-N 3.16Å; D690-S693 VanDerWaalsContact O-CB 3.3Å; D690-S693 WeakPolarHBondContact O-CB 3.43Å; D690-S693 PolarHBondContact O-N 3.32Å; D690-S693 PolarHBondContact O-OG 2.87Å; S693-D695 VanDerWaalsContact C-N 3.33Å; S693-D695 PolarHBondContact O-N 2.94Å
694	T	78	Confident	64.3	Low	97 Å²	97	57.2 Å²	57.2	60%	0.595	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-73	-16.7	174.8	53	0	0	0	0	114.9	Y692 Y696 Q742	Y692-T694 PolarHBondContact O-N 3.4Å; T694-Y696 VanDerWaalsContact C-N 3.32Å; T694-Q742 PolarHBondContact O-NE2 2.88Å
695	D	79.7	Confident	64.9	Low	7 Å²	7	55.8 Å²	55.8	4%	0.037	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-78.1	-19.6	177.1	-74.4	-10.1	0	0	0	112.7	R670 Y692 S693 W709 Q742	R670-D695 IonicContact CZ-OD2 2.63Å; R670-D695 IonicContact NH1-OD2 2.61Å; R670-D695 PolarHBondContact NH1-OD2 2.85Å; Y692-D695 WeakPolarHBondContact O-CB 3.41Å; Y692-D695 PolarHBondContact O-N 3.29Å; S693-D695 VanDerWaalsContact C-N 3.33Å; S693-D695 PolarHBondContact O-N 2.94Å; D695-W709 HydrophobicContact CB-CH2 3.96Å; D695-W709 HydrophobicContact CB-CZ3 3.66Å; D695-W709 WeakPolarHBondContact OD2-CH2 3.49Å; D695-Q742 PolarHBondContact OD1-NE2 3.27Å
696	Y	81.7	Confident	66.7	Low	12 Å²	12	55.9 Å²	55.9	5%	0.047	30%	0.304	C	S	.	.			trans	-105.9	127.9	-174.6	-63.9	-86.2	0	0	0	111.9	D666 R670 R689 Y692 T694 L705 P706	D666-Y696 WeakPolarHBondContact OD2-CE1 3.5Å; D666-Y696 PolarHBondContact OD2-OH 3.1Å; R670-Y696 PolarHBondContact NE-OH 3Å; R689-Y696 HydrophobicContact CG-CE2 3.99Å; Y692-Y696 WeakPolarHBondContact O-CD2 3.43Å; T694-Y696 VanDerWaalsContact C-N 3.32Å; Y696-L705 WeakPolarHBondContact CA-O 3.4Å; Y696-P706 HydrophobicContact CD1-CB 4.12Å; Y696-P706 HydrophobicContact CE1-CB 3.96Å
697	Y	78.9	Confident	68.5	Low	68 Å²	68	55.7 Å²	55.7	27%	0.267	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.9	173.2	-178.4	-133.3	0	0	0	111.4	V699 M704 L705 I707 N749 N750 I753	Y697-V699 HydrophobicContact CD1-CG2 3.67Å; Y697-V699 HydrophobicContact CE1-CG2 3.82Å; Y697-M704 WeakPolarHBondContact O-CA 3.44Å; Y697-L705 PolarHBondContact N-O 3.05Å; Y697-L705 PolarHBondContact O-N 3.39Å; Y697-I707 HydrophobicContact CD1-CD1 4.08Å; Y697-I707 HydrophobicContact CD1-CG2 4.27Å; Y697-I707 HydrophobicContact CG-CD1 4.06Å; Y697-N749 HydrophobicContact CD2-CB 3.8Å; Y697-N749 HydrophobicContact CE2-CB 4.29Å; Y697-N749 HydrophobicContact CG-CB 4Å; Y697-N750 PolarHBondContact OH-OD1 3.03Å; Y697-I753 HydrophobicContact CD1-CD1 3.91Å; Y697-I753 HydrophobicContact CE1-CD1 3.73Å
698	R	75.3	Confident	70.8	Confident	158 Å²	158	53.8 Å²	53.8	60%	0.596	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	111	179.5	-171.4	174.6	-73.2	-161.6	4.6	110.8	G701 T703 M704	R698-G701 WeakPolarHBondContact CD-O 3.45Å; R698-T703 CarbonylContact C-O 3.57Å; R698-T703 WeakPolarHBondContact CA-O 3.34Å; R698-M704 HydrophobicContact CB-SD 3.62Å; R698-M704 HydrophobicContact CG-SD 3.82Å; R698-M704 PolarHBondContact NE-SD 2.99Å; R698-M704 VanDerWaalsContact NE-SD 3.38Å
699	V	63.8	Low	73	Confident	23 Å²	23	53.6 Å²	53.6	14%	0.139	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.9	177.8	-179	0	0	0	0	110	I491 Y697 G701 T703 L705	I491-V699 HydrophobicContact CD1-CG1 3.76Å; I491-V699 HydrophobicContact CG1-CG1 4.08Å; Y697-V699 HydrophobicContact CD1-CG2 3.67Å; Y697-V699 HydrophobicContact CE1-CG2 3.82Å; V699-G701 VanDerWaalsContact C-N 3.29Å; V699-G701 PolarHBondContact O-N 2.97Å; V699-T703 PolarHBondContact N-O 2.91Å; V699-T703 PolarHBondContact O-N 3.05Å; V699-T703 VanDerWaalsContact O-N 3.14Å; V699-L705 HydrophobicContact CB-CD1 4.41Å; V699-L705 HydrophobicContact CG2-CD1 3.99Å
700	G	55.7	Low	74.8	Confident	45 Å²	45	50 Å²	50	46%	0.464	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	30.9	175.3	0	0	0	0	0	114.4	H702	G700-H702 PolarHBondContact O-CD2 3.49Å; G700-H702 PolarHBondContact O-N 3.23Å
701	G	52.2	Low	76.5	Confident	44 Å²	44	46 Å²	46	45%	0.454	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-30	178.8	0	0	0	0	0	115.8	R698 V699	R698-G701 WeakPolarHBondContact CD-O 3.45Å; V699-G701 VanDerWaalsContact C-N 3.29Å; V699-G701 PolarHBondContact O-N 2.97Å
702	H	49.8	Very low	77.9	Confident	173 Å²	173	41.6 Å²	41.6	80%	0.801	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.7	-29.6	-168.3	-61.7	-86.3	0	0	0	115.5	G700	G700-H702 PolarHBondContact O-CD2 3.49Å; G700-H702 PolarHBondContact O-N 3.23Å
703	T	64.9	Low	78.7	Confident	34 Å²	34	41.5 Å²	41.5	21%	0.209	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124	-178.8	-42.3	0	0	0	0	111.5	R698 V699 L705	R698-T703 CarbonylContact C-O 3.57Å; R698-T703 WeakPolarHBondContact CA-O 3.34Å; V699-T703 PolarHBondContact N-O 2.91Å; V699-T703 PolarHBondContact O-N 3.05Å; V699-T703 VanDerWaalsContact O-N 3.14Å; T703-L705 HydrophobicContact CG2-CD2 3.93Å; T703-L705 HydrophobicContact CG2-CG 4.01Å
704	M	71.8	Confident	79.4	Confident	71 Å²	71	38.5 Å²	38.5	35%	0.35	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.2	168.5	-59.5	-61.9	-73.2	0	0	109.8	Y697 R698	Y697-M704 WeakPolarHBondContact O-CA 3.44Å; R698-M704 HydrophobicContact CB-SD 3.62Å; R698-M704 HydrophobicContact CG-SD 3.82Å; R698-M704 PolarHBondContact NE-SD 2.99Å; R698-M704 VanDerWaalsContact NE-SD 3.38Å
705	L	81.4	Confident	79.7	Confident	25 Å²	25	35.2 Å²	35.2	13%	0.131	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.7	-176.3	-68.2	177.6	0	0	0	112.2	Y696 Y697 V699 T703 I707 M710	Y696-L705 WeakPolarHBondContact CA-O 3.4Å; Y697-L705 PolarHBondContact N-O 3.05Å; Y697-L705 PolarHBondContact O-N 3.39Å; V699-L705 HydrophobicContact CB-CD1 4.41Å; V699-L705 HydrophobicContact CG2-CD1 3.99Å; T703-L705 HydrophobicContact CG2-CD2 3.93Å; T703-L705 HydrophobicContact CG2-CG 4.01Å; L705-I707 HydrophobicContact CB-CG2 3.97Å; L705-I707 PolarHBondContact O-N 3.22Å; L705-M710 HydrophobicContact CB-SD 3.93Å; L705-M710 HydrophobicContact CD1-CE 4.46Å; L705-M710 HydrophobicContact CD2-CE 4.47Å; L705-M710 HydrophobicContact CD2-SD 4.49Å
706	P	90.1	Very high	79.7	Confident	10 Å²	10	38.1 Å²	38.1	7%	0.065	20%	0.2	C	C	.	.			trans	-80.1	55.4	-179.4	35.5	-37.9	0	0	0	112	D666 Y696 R708 W709 M710	D666-P706 HydrophobicContact CB-CG 4.31Å; D666-P706 VanDerWaalsContact OD1-CB 3.26Å; D666-P706 WeakPolarHBondContact OD1-CB 3.27Å; D666-P706 WeakPolarHBondContact OD1-CG 3.48Å; Y696-P706 HydrophobicContact CD1-CB 4.12Å; Y696-P706 HydrophobicContact CE1-CB 3.96Å; P706-R708 PolarHBondContact O-N 3.39Å; P706-W709 HydrophobicContact CB-CE3 4.37Å; P706-W709 PolarHBondContact O-N 2.93Å; P706-M710 HydrophobicContact CG-CG 4.19Å; P706-M710 HydrophobicContact CG-SD 4.24Å; P706-M710 PolarHBondContact O-N 3.33Å
707	I	90.3	Very high	79.6	Confident	3 Å²	3	44 Å²	44	2%	0.015	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-23.2	-166.3	57.6	156.9	0	0	0	115.9	Y697 L705 W709 M710 N749 V752 I753	Y697-I707 HydrophobicContact CD1-CD1 4.08Å; Y697-I707 HydrophobicContact CD1-CG2 4.27Å; Y697-I707 HydrophobicContact CG-CD1 4.06Å; L705-I707 HydrophobicContact CB-CG2 3.97Å; L705-I707 PolarHBondContact O-N 3.22Å; I707-W709 VanDerWaalsContact C-N 3.28Å; I707-W709 PolarHBondContact O-N 3.14Å; I707-M710 HydrophobicContact CG2-SD 4.14Å; I707-M710 PolarHBondContact O-N 3.45Å; I707-N749 HydrophobicContact CD1-CB 3.62Å; I707-N749 VanDerWaalsContact CD1-O 3.25Å; I707-N749 WeakPolarHBondContact CD1-O 3.31Å; I707-V752 HydrophobicContact CD1-CB 4.5Å; I707-V752 HydrophobicContact CD1-CG1 4.38Å; I707-I753 HydrophobicContact CD1-CD1 4.09Å; I707-I753 HydrophobicContact CD1-CG1 3.98Å
708	R	95.5	Very high	79.5	Confident	9 Å²	9	41.9 Å²	41.9	3%	0.034	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-19.3	178.2	-71.1	166.3	-175.1	-81.1	-7.8	113.1	P706 P743 W744 L747 N749 V752	P706-R708 PolarHBondContact O-N 3.39Å; R708-P743 HydrophobicContact CB-CB 4.27Å; R708-P743 WeakPolarHBondContact CD-O 3.47Å; R708-P743 PolarHBondContact NH1-O 3.46Å; R708-W744 VanDerWaalsContact NH1-C 3.27Å; R708-W744 PolarHBondContact NH1-O 3.5Å; R708-L747 PolarHBondContact NH2-O 2.89Å; R708-N749 PolarHBondContact NE-OD1 3.16Å; R708-N749 PolarHBondContact NH2-OD1 3.33Å; R708-V752 HydrophobicContact CG-CG1 4.01Å; R708-V752 HydrophobicContact CG-CG2 4.35Å
709	W	96.7	Very high	79.8	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.008	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-16.9	174.1	-70.7	-102.6	0	0	0	113	L667 A668 D695 P706 I707 S728 V731 E735 P743	L667-W709 VanDerWaalsContact O-CD1 3.32Å; A668-W709 HydrophobicContact CB-CD2 4.1Å; A668-W709 HydrophobicContact CB-CG 4.14Å; A668-W709 HydrophobicContact CB-CZ2 4.26Å; A668-W709 VanDerWaalsContact CB-NE1 3.33Å; D695-W709 HydrophobicContact CB-CH2 3.96Å; D695-W709 HydrophobicContact CB-CZ3 3.66Å; D695-W709 WeakPolarHBondContact OD2-CH2 3.49Å; P706-W709 HydrophobicContact CB-CE3 4.37Å; P706-W709 PolarHBondContact O-N 2.93Å; I707-W709 VanDerWaalsContact C-N 3.28Å; I707-W709 PolarHBondContact O-N 3.14Å; W709-S728 PolarHBondContact O-OG 3.41Å; W709-V731 HydrophobicContact CD2-CG1 4.41Å; W709-V731 HydrophobicContact CG-CB 4.4Å; W709-V731 HydrophobicContact CG-CG1 3.97Å; W709-E735 HydrophobicContact CZ2-CG 4.43Å; W709-E735 PolarHBondContact NE1-OE2 3.39Å; W709-P743 HydrophobicContact CD2-CG 4.38Å; W709-P743 VanDerWaalsContact CH2-CD 3.44Å; W709-P743 HydrophobicContact CH2-CG 4.01Å; W709-P743 HydrophobicContact CZ2-CG 3.63Å
710	M	94.4	Very high	80.8	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.015	21%	0.214	C	C	.	.			trans	-79.5	144.6	-172.3	-68.1	170.4	65.8	0	0	113.3	L705 P706 I707 S714 I715 F720 W727	L705-M710 HydrophobicContact CB-SD 3.93Å; L705-M710 HydrophobicContact CD1-CE 4.46Å; L705-M710 HydrophobicContact CD2-CE 4.47Å; L705-M710 HydrophobicContact CD2-SD 4.49Å; P706-M710 HydrophobicContact CG-CG 4.19Å; P706-M710 HydrophobicContact CG-SD 4.24Å; P706-M710 PolarHBondContact O-N 3.33Å; I707-M710 HydrophobicContact CG2-SD 4.14Å; I707-M710 PolarHBondContact O-N 3.45Å; M710-S714 WeakPolarHBondContact CE-O 3.49Å; M710-I715 HydrophobicContact CB-CD1 4.17Å; M710-I715 HydrophobicContact CB-CG1 3.76Å; M710-I715 HydrophobicContact CE-CG1 4.27Å; M710-F720 HydrophobicContact CE-CE1 4.08Å; M710-F720 HydrophobicContact CE-CZ 3.93Å; M710-W727 PolarHBondContact O-NE1 2.81Å
711	P	95.9	Very high	82.5	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.013	21%	0.207	C	C	.	.			trans	-78.2	168.1	171.4	33.8	-38.6	0	0	0	113	E713 S714 I715 W727	P711-E713 VanDerWaalsContact C-N 3.32Å; P711-E713 WeakPolarHBondContact CB-OE1 3.39Å; P711-E713 WeakPolarHBondContact CB-OE2 3.45Å; P711-E713 WeakPolarHBondContact CG-OE1 3.5Å; P711-E713 PolarHBondContact O-N 3.32Å; P711-S714 WeakPolarHBondContact CD-OG 3.47Å; P711-S714 WeakPolarHBondContact CG-OG 3.42Å; P711-S714 PolarHBondContact O-N 2.63Å; P711-S714 VanDerWaalsContact O-N 3.16Å; P711-I715 WeakPolarHBondContact O-CG1 3.38Å; P711-I715 PolarHBondContact O-N 3.02Å; P711-I715 VanDerWaalsContact O-N 3.11Å; P711-W727 HydrophobicContact CB-CB 3.82Å; P711-W727 HydrophobicContact CB-CD2 3.55Å; P711-W727 HydrophobicContact CB-CE3 3.87Å; P711-W727 HydrophobicContact CB-CG 3.52Å; P711-W727 HydrophobicContact CG-CB 4.29Å; P711-W727 HydrophobicContact CG-CG 4.33Å
712	P	91.1	Very high	84.3	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-55.3	-40.2	-178.1	-23.3	31.6	0	0	0	114.1	I715 M716 W727 I756	P712-I715 PolarHBondContact O-N 3.2Å; P712-M716 HydrophobicContact CB-CE 3.75Å; P712-M716 WeakPolarHBondContact O-CB 3.47Å; P712-M716 WeakPolarHBondContact O-CE 3.19Å; P712-M716 WeakPolarHBondContact O-CG 3.41Å; P712-M716 PolarHBondContact O-N 2.95Å; P712-W727 HydrophobicContact CG-CH2 4.06Å; P712-W727 HydrophobicContact CG-CZ3 4.23Å; P712-I756 HydrophobicContact CB-CG2 4.36Å; P712-I756 HydrophobicContact CG-CG2 3.75Å
713	E	90.3	Very high	86.5	Confident	18 Å²	18	36.4 Å²	36.4	8%	0.084	18%	0.175	C	C	.	.	H	α-helix	trans	-73.5	-27.1	-178.9	73.3	-73.2	174.7	0	0	114.1	P711 Y717 R718 K719 P784 R787	P711-E713 VanDerWaalsContact C-N 3.32Å; P711-E713 WeakPolarHBondContact CB-OE1 3.39Å; P711-E713 WeakPolarHBondContact CB-OE2 3.45Å; P711-E713 WeakPolarHBondContact CG-OE1 3.5Å; P711-E713 PolarHBondContact O-N 3.32Å; E713-Y717 HydrophobicContact CB-CD2 4.08Å; E713-Y717 CarbonylContact O-C 3.59Å; E713-Y717 WeakPolarHBondContact O-CA 3.26Å; E713-Y717 WeakPolarHBondContact O-CB 3.47Å; E713-Y717 PolarHBondContact O-N 3.21Å; E713-R718 PolarHBondContact O-N 2.97Å; E713-K719 HydrophobicContact CB-CB 4.42Å; E713-K719 HydrophobicContact CG-CB 4.14Å; E713-K719 PolarHBondContact O-N 3.2Å; E713-P784 HydrophobicContact CG-CG 4.01Å; E713-R787 IonicContact OE1-CZ 2.78Å; E713-R787 IonicContact OE1-NH1 2.8Å; E713-R787 PolarHBondContact OE1-NH1 3.48Å; E713-R787 IonicContact OE1-NH2 3.75Å; E713-R787 PolarHBondContact OE1-NH2 3.29Å; E713-R787 IonicContact OE2-CZ 2.76Å; E713-R787 IonicContact OE2-NH1 3.31Å; E713-R787 IonicContact OE2-NH2 3.52Å; E713-R787 PolarHBondContact OE2-NH2 2.95Å
714	S	89.3	Confident	88	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-74.7	-36.7	172	-53.4	0	0	0	0	111.1	M710 P711 R718 K719	M710-S714 WeakPolarHBondContact CE-O 3.49Å; P711-S714 WeakPolarHBondContact CD-OG 3.47Å; P711-S714 WeakPolarHBondContact CG-OG 3.42Å; P711-S714 PolarHBondContact O-N 2.63Å; P711-S714 VanDerWaalsContact O-N 3.16Å; S714-R718 VanDerWaalsContact O-CA 3.3Å; S714-R718 WeakPolarHBondContact O-CA 3.28Å; S714-R718 PolarHBondContact O-N 3.43Å; S714-K719 VanDerWaalsContact CA-O 3.27Å; S714-K719 WeakPolarHBondContact CA-O 3.28Å; S714-K719 VanDerWaalsContact CB-O 3.32Å; S714-K719 WeakPolarHBondContact CB-O 3.41Å; S714-K719 PolarHBondContact OG-O 2.95Å
715	I	84.9	Confident	89.1	Confident	29 Å²	29	31.6 Å²	31.6	15%	0.149	15%	0.149	C	C	.	.	H	α-helix	trans	-70.3	-50.4	176.8	-65.5	171.3	0	0	0	111.1	M710 P711 P712 I753 I756 T757	M710-I715 HydrophobicContact CB-CD1 4.17Å; M710-I715 HydrophobicContact CB-CG1 3.76Å; M710-I715 HydrophobicContact CE-CG1 4.27Å; P711-I715 WeakPolarHBondContact O-CG1 3.38Å; P711-I715 PolarHBondContact O-N 3.02Å; P711-I715 VanDerWaalsContact O-N 3.11Å; P712-I715 PolarHBondContact O-N 3.2Å; I715-I753 HydrophobicContact CG2-CG1 4.14Å; I715-I753 HydrophobicContact CG2-CG2 3.97Å; I715-I756 HydrophobicContact CD1-CB 4.12Å; I715-I756 HydrophobicContact CD1-CD1 3.89Å; I715-I756 HydrophobicContact CD1-CG2 3.81Å; I715-T757 HydrophobicContact CG2-CG2 4.45Å
716	M	80.1	Confident	89.9	Confident	68 Å²	68	30.9 Å²	30.9	34%	0.335	15%	0.146	S	C	.	.	H	α-helix	trans	-81.3	-35.6	-174.3	-63.3	-175.3	-69.8	0	0	113.7	P712 T757	P712-M716 HydrophobicContact CB-CE 3.75Å; P712-M716 WeakPolarHBondContact O-CB 3.47Å; P712-M716 WeakPolarHBondContact O-CE 3.19Å; P712-M716 WeakPolarHBondContact O-CG 3.41Å; P712-M716 PolarHBondContact O-N 2.95Å; M716-T757 HydrophobicContact CG-CG2 3.63Å; M716-T757 HydrophobicContact SD-CG2 3.78Å
717	Y	78.6	Confident	90.3	Very high	134 Å²	134	30.9 Å²	30.9	53%	0.525	14%	0.144	S	C	.	.	H	α-helix	trans	-126.2	6	-167.3	-46.8	-55.9	0	0	0	114	E713 K719	E713-Y717 HydrophobicContact CB-CD2 4.08Å; E713-Y717 CarbonylContact O-C 3.59Å; E713-Y717 WeakPolarHBondContact O-CA 3.26Å; E713-Y717 WeakPolarHBondContact O-CB 3.47Å; E713-Y717 PolarHBondContact O-N 3.21Å; Y717-K719 PolarHBondContact O-N 2.82Å; Y717-K719 VanDerWaalsContact O-N 3.07Å
718	R	77.3	Confident	90.7	Very high	24 Å²	24	30.9 Å²	30.9	9%	0.091	15%	0.145	C	C	.	.			trans	49.3	29.7	-174.5	-65.3	-169.8	175.2	-151	0.4	114	E713 S714 F720	E713-R718 PolarHBondContact O-N 2.97Å; S714-R718 VanDerWaalsContact O-CA 3.3Å; S714-R718 WeakPolarHBondContact O-CA 3.28Å; S714-R718 PolarHBondContact O-N 3.43Å; R718-F720 HydrophobicContact CB-CE2 4.45Å; R718-F720 VanDerWaalsContact O-CD2 3.25Å; R718-F720 WeakPolarHBondContact O-CD2 3.46Å; R718-F720 WeakPolarHBondContact O-CE2 3.34Å
719	K	81.8	Confident	90.8	Very high	129 Å²	129	30.5 Å²	30.5	56%	0.561	14%	0.144	S	C	*	.			trans	-81.4	130.8	175	-70	-176.4	178	-177.8	0	110	E713 S714 Y717	E713-K719 HydrophobicContact CB-CB 4.42Å; E713-K719 HydrophobicContact CG-CB 4.14Å; E713-K719 PolarHBondContact O-N 3.2Å; S714-K719 VanDerWaalsContact CA-O 3.27Å; S714-K719 WeakPolarHBondContact CA-O 3.28Å; S714-K719 VanDerWaalsContact CB-O 3.32Å; S714-K719 WeakPolarHBondContact CB-O 3.41Å; S714-K719 PolarHBondContact OG-O 2.95Å; Y717-K719 PolarHBondContact O-N 2.82Å; Y717-K719 VanDerWaalsContact O-N 3.07Å
720	F	85.6	Confident	90.9	Very high	38 Å²	38	30.4 Å²	30.4	17%	0.167	14%	0.143	C	C	.	.			trans	-131.3	123.7	176.5	-62.8	-86.1	0	0	0	109.2	V663 R665 M710 R718 S724	V663-F720 HydrophobicContact CG1-CB 4.21Å; R665-F720 HydrophobicContact CB-CD1 3.85Å; R665-F720 HydrophobicContact CB-CE1 4.1Å; R665-F720 HydrophobicContact CG-CB 4.02Å; R665-F720 HydrophobicContact CG-CD1 3.76Å; R665-F720 HydrophobicContact CG-CE1 4.43Å; R665-F720 HydrophobicContact CG-CG 3.98Å; M710-F720 HydrophobicContact CE-CE1 4.08Å; M710-F720 HydrophobicContact CE-CZ 3.93Å; R718-F720 HydrophobicContact CB-CE2 4.45Å; R718-F720 VanDerWaalsContact O-CD2 3.25Å; R718-F720 WeakPolarHBondContact O-CD2 3.46Å; R718-F720 WeakPolarHBondContact O-CE2 3.34Å; F720-S724 WeakPolarHBondContact CA-OG 3.29Å
721	T	89.7	Confident	91.1	Very high	51 Å²	51	30.4 Å²	30.4	31%	0.313	14%	0.143	S	C	.	.			trans	-146.1	174.6	-178.6	68.2	0	0	0	0	110.7	E723 S724 D725	T721-E723 WeakPolarHBondContact CB-OE2 3.4Å; T721-E723 PolarHBondContact O-N 3.28Å; T721-E723 PolarHBondContact OG1-N 2.89Å; T721-E723 PolarHBondContact OG1-OE2 3.32Å; T721-S724 PolarHBondContact N-OG 3.11Å; T721-S724 WeakPolarHBondContact O-CA 3.45Å; T721-S724 WeakPolarHBondContact O-CB 3.4Å; T721-S724 PolarHBondContact O-N 3.46Å; T721-S724 PolarHBondContact O-OG 2.84Å; T721-S724 PolarHBondContact OG1-N 2.98Å; T721-D725 PolarHBondContact O-N 3.45Å
722	T	91.4	Very high	91.2	Very high	43 Å²	43	30.3 Å²	30.3	26%	0.264	14%	0.143	S	C	.	.	H	α-helix	trans	-52.6	-34	170.6	29.3	0	0	0	0	113.1	A658 S724 D725 V726	A658-T722 HydrophobicContact CB-CG2 3.68Å; T722-S724 VanDerWaalsContact C-N 3.33Å; T722-D725 PolarHBondContact O-N 3.43Å; T722-V726 WeakPolarHBondContact O-CG2 3.23Å; T722-V726 PolarHBondContact O-N 3.2Å
723	E	95.8	Very high	91.5	Very high	68 Å²	68	30.1 Å²	30.1	32%	0.318	14%	0.142	S	C	.	.	H	α-helix	trans	-75.4	-23.8	178.3	-54.5	67.1	-120.3	0	0	111.9	T721 W727 P784 R787	T721-E723 WeakPolarHBondContact CB-OE2 3.4Å; T721-E723 PolarHBondContact O-N 3.28Å; T721-E723 PolarHBondContact OG1-N 2.89Å; T721-E723 PolarHBondContact OG1-OE2 3.32Å; E723-W727 PolarHBondContact O-N 3.25Å; E723-P784 HydrophobicContact CB-CB 3.79Å; E723-P784 HydrophobicContact CG-CB 4.31Å; E723-R787 VanDerWaalsContact O-CD 3.3Å; E723-R787 WeakPolarHBondContact O-CD 3.35Å; E723-R787 PolarHBondContact O-NH1 2.9Å
724	S	95.3	Very high	91.9	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-75.3	-35.8	170.8	71.1	0	0	0	0	112.2	F720 T721 T722 V726 W727 S728	F720-S724 WeakPolarHBondContact CA-OG 3.29Å; T721-S724 PolarHBondContact N-OG 3.11Å; T721-S724 WeakPolarHBondContact O-CA 3.45Å; T721-S724 WeakPolarHBondContact O-CB 3.4Å; T721-S724 PolarHBondContact O-N 3.46Å; T721-S724 PolarHBondContact O-OG 2.84Å; T721-S724 PolarHBondContact OG1-N 2.98Å; T722-S724 VanDerWaalsContact C-N 3.33Å; S724-V726 VanDerWaalsContact C-N 3.33Å; S724-W727 PolarHBondContact O-N 3.34Å; S724-S728 PolarHBondContact O-N 3.07Å; S724-S728 VanDerWaalsContact O-N 3.14Å; S724-S728 PolarHBondContact O-OG 2.9Å; S724-S728 VanDerWaalsContact O-OG 3.09Å
725	D	95.9	Very high	92.3	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.011	14%	0.141	C	C	.	.	H	α-helix	trans	-70.2	-30	172.1	-68.9	-26.3	0	0	0	111.9	M654 V663 H664 R665 T721 T722 S728 L729	M654-D725 HydrophobicContact CE-CB 3.61Å; V663-D725 VanDerWaalsContact CA-OD2 3.27Å; V663-D725 WeakPolarHBondContact CA-OD2 3.41Å; V663-D725 WeakPolarHBondContact CG1-OD2 3.19Å; H664-D725 PolarHBondContact N-OD1 2.73Å; H664-D725 PolarHBondContact N-OD2 3.11Å; R665-D725 PolarHBondContact N-OD1 2.85Å; T721-D725 PolarHBondContact O-N 3.45Å; T722-D725 PolarHBondContact O-N 3.43Å; D725-S728 WeakPolarHBondContact O-CB 3.35Å; D725-S728 PolarHBondContact O-N 2.92Å; D725-L729 WeakPolarHBondContact O-CB 3.48Å; D725-L729 PolarHBondContact O-N 3.15Å
726	V	98.2	Very high	92.8	Very high	9 Å²	9	28.8 Å²	28.8	6%	0.055	13%	0.134	C	C	.	.	H	α-helix	trans	-61	-42.4	170.2	163.2	0	0	0	0	111.7	T722 S724 L729 G730 C779 R787 I790 I793	T722-V726 WeakPolarHBondContact O-CG2 3.23Å; T722-V726 PolarHBondContact O-N 3.2Å; S724-V726 VanDerWaalsContact C-N 3.33Å; V726-L729 PolarHBondContact O-N 3.45Å; V726-G730 PolarHBondContact O-N 3.12Å; V726-C779 HydrophobicContact CG1-CB 4.17Å; V726-C779 WeakPolarHBondContact O-CB 3.5Å; V726-R787 HydrophobicContact CG1-CB 4.03Å; V726-I790 HydrophobicContact CG2-CB 4.1Å; V726-I790 HydrophobicContact CG2-CD1 4.44Å; V726-I793 HydrophobicContact CG1-CD1 3.78Å; V726-I793 HydrophobicContact CG2-CD1 4.4Å
727	W	98.4	Very high	93.5	Very high	10 Å²	10	25.5 Å²	25.5	4%	0.038	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-46	173.3	177.2	-70.5	0	0	0	111.2	M710 P711 P712 E723 S724 L729 G730 V731 I756 W780	M710-W727 PolarHBondContact O-NE1 2.81Å; P711-W727 HydrophobicContact CB-CB 3.82Å; P711-W727 HydrophobicContact CB-CD2 3.55Å; P711-W727 HydrophobicContact CB-CE3 3.87Å; P711-W727 HydrophobicContact CB-CG 3.52Å; P711-W727 HydrophobicContact CG-CB 4.29Å; P711-W727 HydrophobicContact CG-CG 4.33Å; P712-W727 HydrophobicContact CG-CH2 4.06Å; P712-W727 HydrophobicContact CG-CZ3 4.23Å; E723-W727 PolarHBondContact O-N 3.25Å; S724-W727 PolarHBondContact O-N 3.34Å; W727-L729 VanDerWaalsContact C-N 3.31Å; W727-L729 PolarHBondContact O-N 2.92Å; W727-G730 WeakPolarHBondContact O-CA 3.12Å; W727-G730 PolarHBondContact O-N 3.4Å; W727-G730 VanDerWaalsContact O-N 3.08Å; W727-V731 PolarHBondContact O-N 2.95Å; W727-I756 HydrophobicContact CH2-CG2 4.36Å; W727-I756 HydrophobicContact CZ2-CG2 3.91Å; W727-W780 AromaticContact CD2-CD1 3.63Å; W727-W780 HydrophobicContact CD2-CG 4.41Å; W727-W780 AromaticContact CE2-CD1 3.75Å; W727-W780 HydrophobicContact CE3-CB 4.12Å; W727-W780 HydrophobicContact CE3-CG 4.5Å; W727-W780 AromaticContact CG-CD1 3.86Å; W727-W780 HydrophobicContact CH2-CB 4.14Å; W727-W780 HydrophobicContact CZ3-CB 3.93Å; W727-W780 WeakPolarHBondContact CZ3-O 3.37Å; W727-W780 PolarHBondContact O-NE1 3.46Å
728	S	98	Very high	94.2	Very high	4 Å²	4	19.9 Å²	19.9	3%	0.028	10%	0.097	C	C	.	.	H	α-helix	trans	-59.1	-40	176.3	-53.4	0	0	0	0	112	W709 S724 D725 G730 V731 V732	W709-S728 PolarHBondContact O-OG 3.41Å; S724-S728 PolarHBondContact O-N 3.07Å; S724-S728 VanDerWaalsContact O-N 3.14Å; S724-S728 PolarHBondContact O-OG 2.9Å; S724-S728 VanDerWaalsContact O-OG 3.09Å; D725-S728 WeakPolarHBondContact O-CB 3.35Å; D725-S728 PolarHBondContact O-N 2.92Å; S728-G730 VanDerWaalsContact C-N 3.33Å; S728-G730 PolarHBondContact O-N 3.07Å; S728-V731 CarbonylContact O-C 3.56Å; S728-V731 WeakPolarHBondContact O-CA 3.42Å; S728-V731 WeakPolarHBondContact O-CB 3.43Å; S728-V731 PolarHBondContact O-N 3.12Å; S728-V732 PolarHBondContact O-N 3.21Å
729	L	98.3	Very high	95	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-61.7	-40.6	173.7	178	62	0	0	0	111.4	I650 A651 L667 D725 V726 W727 V731 V732 L733 I790 I793	I650-L729 HydrophobicContact CG2-CD1 3.89Å; A651-L729 HydrophobicContact CB-CD2 4.26Å; L667-L729 HydrophobicContact CD2-CB 3.91Å; L667-L729 HydrophobicContact CD2-CD1 4.49Å; D725-L729 WeakPolarHBondContact O-CB 3.48Å; D725-L729 PolarHBondContact O-N 3.15Å; V726-L729 PolarHBondContact O-N 3.45Å; W727-L729 VanDerWaalsContact C-N 3.31Å; W727-L729 PolarHBondContact O-N 2.92Å; L729-V731 PolarHBondContact O-N 3.31Å; L729-V732 HydrophobicContact CD1-CB 4.47Å; L729-V732 WeakPolarHBondContact O-CB 3.32Å; L729-V732 PolarHBondContact O-N 3.34Å; L729-V732 VanDerWaalsContact O-N 3.09Å; L729-L733 WeakPolarHBondContact O-CG 3.48Å; L729-L733 PolarHBondContact O-N 3.4Å; L729-I790 HydrophobicContact CD2-CD1 3.32Å; L729-I793 HydrophobicContact CD2-CG2 4.05Å
730	G	98.1	Very high	95.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-55.5	-38.3	171.4	0	0	0	0	0	112.6	V726 W727 S728 W734 W780	V726-G730 PolarHBondContact O-N 3.12Å; W727-G730 WeakPolarHBondContact O-CA 3.12Å; W727-G730 PolarHBondContact O-N 3.4Å; W727-G730 VanDerWaalsContact O-N 3.08Å; S728-G730 VanDerWaalsContact C-N 3.33Å; S728-G730 PolarHBondContact O-N 3.07Å; G730-W734 PolarHBondContact O-N 3.05Å; G730-W780 VanDerWaalsContact C-CZ2 3.47Å; G730-W780 WeakPolarHBondContact O-CZ2 3.37Å
731	V	98.4	Very high	95.9	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.012	8%	0.078	C	C	.	.	H	α-helix	trans	-71.2	-39.1	174.2	-174	0	0	0	0	111.8	W709 W727 S728 L729 L733 W734 E735 P743 L762 W780	W709-V731 HydrophobicContact CD2-CG1 4.41Å; W709-V731 HydrophobicContact CG-CB 4.4Å; W709-V731 HydrophobicContact CG-CG1 3.97Å; W727-V731 PolarHBondContact O-N 2.95Å; S728-V731 CarbonylContact O-C 3.56Å; S728-V731 WeakPolarHBondContact O-CA 3.42Å; S728-V731 WeakPolarHBondContact O-CB 3.43Å; S728-V731 PolarHBondContact O-N 3.12Å; L729-V731 PolarHBondContact O-N 3.31Å; V731-L733 VanDerWaalsContact C-N 3.35Å; V731-L733 PolarHBondContact O-N 2.99Å; V731-W734 CarbonylContact O-C 3.52Å; V731-W734 WeakPolarHBondContact O-CA 3.38Å; V731-W734 WeakPolarHBondContact O-CB 3.44Å; V731-W734 PolarHBondContact O-N 3.41Å; V731-E735 PolarHBondContact O-N 2.95Å; V731-P743 HydrophobicContact CG1-CB 3.86Å; V731-P743 HydrophobicContact CG1-CG 3.37Å; V731-L762 HydrophobicContact CG1-CD1 4.21Å; V731-L762 HydrophobicContact CG2-CD1 4.34Å; V731-W780 HydrophobicContact CG2-CZ2 4.25Å
732	V	98.3	Very high	96.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.1	-40.1	172.6	169.5	0	0	0	0	112.2	I650 L667 T669 S728 L729 W734 E735 I736	I650-V732 HydrophobicContact CD1-CG1 3.88Å; I650-V732 HydrophobicContact CG2-CG1 4.39Å; L667-V732 HydrophobicContact CG-CG2 4.12Å; T669-V732 HydrophobicContact CG2-CG1 3.96Å; S728-V732 PolarHBondContact O-N 3.21Å; L729-V732 HydrophobicContact CD1-CB 4.47Å; L729-V732 WeakPolarHBondContact O-CB 3.32Å; L729-V732 PolarHBondContact O-N 3.34Å; L729-V732 VanDerWaalsContact O-N 3.09Å; V732-W734 VanDerWaalsContact C-N 3.26Å; V732-W734 PolarHBondContact O-N 3.26Å; V732-E735 WeakPolarHBondContact O-CB 3.2Å; V732-E735 PolarHBondContact O-N 3.27Å; V732-I736 HydrophobicContact CG1-CD1 3.94Å; V732-I736 VanDerWaalsContact O-CG1 3.31Å; V732-I736 WeakPolarHBondContact O-CG1 3.48Å; V732-I736 PolarHBondContact O-N 3.23Å
733	L	97.9	Very high	96.3	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-59.6	-40	171.8	-64.4	179.4	0	0	0	110.9	A647 L729 V731 I736 F737 M776 L797	A647-L733 HydrophobicContact CB-CD2 3.47Å; A647-L733 VanDerWaalsContact CB-CD2 3.47Å; L729-L733 WeakPolarHBondContact O-CG 3.48Å; L729-L733 PolarHBondContact O-N 3.4Å; V731-L733 VanDerWaalsContact C-N 3.35Å; V731-L733 PolarHBondContact O-N 2.99Å; L733-I736 PolarHBondContact O-N 3.4Å; L733-F737 WeakPolarHBondContact O-CD2 3.4Å; L733-F737 PolarHBondContact O-N 3.44Å; L733-F737 VanDerWaalsContact O-N 3.15Å; L733-M776 HydrophobicContact CB-CE 3.93Å; L733-M776 HydrophobicContact CB-CG 4.03Å; L733-M776 HydrophobicContact CD1-CG 4.39Å; L733-L797 HydrophobicContact CD2-CD1 4.18Å; L733-L797 HydrophobicContact CD2-CD2 4.33Å
734	W	97.8	Very high	96.3	Very high	19 Å²	19	11.2 Å²	11.2	7%	0.072	5%	0.05	C	C	.	.	H	α-helix	trans	-67	-39.7	175.7	-169.4	93.5	0	0	0	112.5	G730 V731 V732 T738 K741 P743 L762 Q763 P765 M776 W780	G730-W734 PolarHBondContact O-N 3.05Å; V731-W734 CarbonylContact O-C 3.52Å; V731-W734 WeakPolarHBondContact O-CA 3.38Å; V731-W734 WeakPolarHBondContact O-CB 3.44Å; V731-W734 PolarHBondContact O-N 3.41Å; V732-W734 VanDerWaalsContact C-N 3.26Å; V732-W734 PolarHBondContact O-N 3.26Å; W734-T738 HydrophobicContact CD2-CG2 3.94Å; W734-T738 HydrophobicContact CE3-CG2 4.07Å; W734-T738 HydrophobicContact CH2-CG2 3.97Å; W734-T738 HydrophobicContact CZ2-CG2 3.83Å; W734-T738 HydrophobicContact CZ3-CG2 4.07Å; W734-T738 WeakPolarHBondContact O-CB 3.47Å; W734-T738 VanDerWaalsContact O-CG2 3.29Å; W734-T738 WeakPolarHBondContact O-CG2 3.29Å; W734-T738 PolarHBondContact O-N 3.19Å; W734-T738 VanDerWaalsContact O-N 3.11Å; W734-T738 PolarHBondContact O-OG1 3.33Å; W734-K741 HydrophobicContact CZ3-CB 4.44Å; W734-P743 HydrophobicContact CE3-CB 4.46Å; W734-P743 HydrophobicContact CE3-CG 4.43Å; W734-P743 HydrophobicContact CZ3-CB 4.39Å; W734-L762 HydrophobicContact CB-CD1 4.24Å; W734-L762 HydrophobicContact CD2-CB 4.41Å; W734-L762 HydrophobicContact CD2-CD1 3.99Å; W734-L762 HydrophobicContact CD2-CD2 4.45Å; W734-L762 HydrophobicContact CE3-CD1 4.37Å; W734-L762 HydrophobicContact CG-CB 4.22Å; W734-L762 HydrophobicContact CG-CD1 3.93Å; W734-L762 HydrophobicContact CZ2-CD2 4.23Å; W734-Q763 PolarHBondContact NE1-O 3.02Å; W734-P765 HydrophobicContact CG-CG 4.35Å; W734-M776 HydrophobicContact CB-CE 4.39Å; W734-M776 HydrophobicContact CB-SD 4Å; W734-M776 HydrophobicContact CG-SD 4.49Å; W734-W780 HydrophobicContact CB-CH2 4.12Å; W734-W780 HydrophobicContact CB-CZ2 4.21Å; W734-W780 HydrophobicContact CG-CH2 4.34Å
735	E	97.4	Very high	96.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60	-47.1	173.1	-69	-178.6	85.9	0	0	111.8	N614 T669 W709 V731 V732 F737 T738 Y739 G740 P743	N614-E735 PolarHBondContact ND2-OE1 3.14Å; T669-E735 HydrophobicContact CG2-CB 3.56Å; T669-E735 HydrophobicContact CG2-CG 4.26Å; T669-E735 PolarHBondContact N-OE1 3.49Å; T669-E735 PolarHBondContact N-OE2 2.96Å; T669-E735 VanDerWaalsContact OG1-CD 3.29Å; T669-E735 PolarHBondContact OG1-OE1 3.49Å; W709-E735 HydrophobicContact CZ2-CG 4.43Å; W709-E735 PolarHBondContact NE1-OE2 3.39Å; V731-E735 PolarHBondContact O-N 2.95Å; V732-E735 WeakPolarHBondContact O-CB 3.2Å; V732-E735 PolarHBondContact O-N 3.27Å; E735-F737 PolarHBondContact O-N 3.49Å; E735-T738 WeakPolarHBondContact CA-OG1 3.41Å; E735-T738 CarbonylContact O-C 3.43Å; E735-T738 PolarHBondContact O-N 2.84Å; E735-T738 VanDerWaalsContact O-N 3.14Å; E735-T738 PolarHBondContact O-OG1 2.78Å; E735-Y739 PolarHBondContact O-N 3.09Å; E735-Y739 VanDerWaalsContact O-N 3.09Å; E735-G740 PolarHBondContact O-N 2.99Å; E735-P743 HydrophobicContact CG-CG 4.31Å
736	I	96.6	Very high	95.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-57.6	-53.1	178.8	-68.1	160.6	0	0	0	110.2	L617 M643 I646 A647 I650 T669 V732 L733 T738 Y739	L617-I736 HydrophobicContact CD1-CG1 4.14Å; L617-I736 HydrophobicContact CD2-CG2 4.48Å; M643-I736 HydrophobicContact CB-CG2 3.8Å; M643-I736 HydrophobicContact CG-CG2 4.01Å; I646-I736 HydrophobicContact CG2-CD1 3.87Å; I646-I736 HydrophobicContact CG2-CG1 4.12Å; A647-I736 HydrophobicContact CB-CD1 4.07Å; I650-I736 HydrophobicContact CD1-CD1 4.11Å; T669-I736 HydrophobicContact CG2-CG1 4.33Å; V732-I736 HydrophobicContact CG1-CD1 3.94Å; V732-I736 VanDerWaalsContact O-CG1 3.31Å; V732-I736 WeakPolarHBondContact O-CG1 3.48Å; V732-I736 PolarHBondContact O-N 3.23Å; L733-I736 PolarHBondContact O-N 3.4Å; I736-T738 PolarHBondContact O-N 3.15Å; I736-T738 VanDerWaalsContact O-N 3.13Å; I736-Y739 PolarHBondContact O-N 3.33Å
737	F	94.9	Very high	95.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	6.8	-179.3	-75.8	-88.9	0	0	0	114.4	Q640 M643 L644 L733 E735 P765 T767 C768 P769 V772	Q640-F737 HydrophobicContact CG-CE1 4.24Å; M643-F737 HydrophobicContact CB-CE1 4.07Å; M643-F737 HydrophobicContact CB-CE2 4.19Å; M643-F737 HydrophobicContact CB-CZ 3.79Å; M643-F737 HydrophobicContact SD-CD1 3.73Å; M643-F737 HydrophobicContact SD-CE1 3.85Å; M643-F737 HydrophobicContact SD-CG 4.26Å; M643-F737 HydrophobicContact SD-CZ 4.45Å; L644-F737 HydrophobicContact CD2-CZ 4.14Å; L644-F737 HydrophobicContact CG-CZ 4.24Å; L733-F737 WeakPolarHBondContact O-CD2 3.4Å; L733-F737 PolarHBondContact O-N 3.44Å; L733-F737 VanDerWaalsContact O-N 3.15Å; E735-F737 PolarHBondContact O-N 3.49Å; F737-P765 HydrophobicContact CB-CB 4.37Å; F737-P765 HydrophobicContact CB-CG 4.18Å; F737-P765 VanDerWaalsContact O-CB 3.24Å; F737-P765 WeakPolarHBondContact O-CB 3.43Å; F737-T767 PolarHBondContact O-OG1 3.15Å; F737-C768 HydrophobicContact CB-CB 3.99Å; F737-C768 HydrophobicContact CD1-CB 4.16Å; F737-C768 HydrophobicContact CG-CB 4.22Å; F737-P769 HydrophobicContact CE1-CG 4.39Å; F737-V772 HydrophobicContact CD2-CG1 4.02Å; F737-V772 HydrophobicContact CE2-CG1 3.71Å; F737-V772 HydrophobicContact CE2-CG2 4.49Å; F737-V772 HydrophobicContact CZ-CG1 4.21Å; F737-V772 HydrophobicContact CZ-CG2 4.21Å
738	T	94.1	Very high	95	Very high	16 Å²	16	28.7 Å²	28.7	10%	0.098	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	6.2	169.2	56.1	0	0	0	0	114.1	W734 E735 I736 K741 P765	W734-T738 HydrophobicContact CD2-CG2 3.94Å; W734-T738 HydrophobicContact CE3-CG2 4.07Å; W734-T738 HydrophobicContact CH2-CG2 3.97Å; W734-T738 HydrophobicContact CZ2-CG2 3.83Å; W734-T738 HydrophobicContact CZ3-CG2 4.07Å; W734-T738 WeakPolarHBondContact O-CB 3.47Å; W734-T738 VanDerWaalsContact O-CG2 3.29Å; W734-T738 WeakPolarHBondContact O-CG2 3.29Å; W734-T738 PolarHBondContact O-N 3.19Å; W734-T738 VanDerWaalsContact O-N 3.11Å; W734-T738 PolarHBondContact O-OG1 3.33Å; E735-T738 WeakPolarHBondContact CA-OG1 3.41Å; E735-T738 CarbonylContact O-C 3.43Å; E735-T738 PolarHBondContact O-N 2.84Å; E735-T738 VanDerWaalsContact O-N 3.14Å; E735-T738 PolarHBondContact O-OG1 2.78Å; I736-T738 PolarHBondContact O-N 3.15Å; I736-T738 VanDerWaalsContact O-N 3.13Å; T738-K741 WeakPolarHBondContact O-CD 3.49Å; T738-K741 VanDerWaalsContact O-CG 3.32Å; T738-K741 WeakPolarHBondContact O-CG 3.31Å; T738-P765 HydrophobicContact CG2-CB 3.71Å; T738-P765 HydrophobicContact CG2-CG 3.56Å
739	Y	93.5	Very high	94.5	Very high	24 Å²	24	30.2 Å²	30.2	9%	0.094	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	48.5	-174.9	-58.2	-87.4	0	0	0	113.5	R618 H620 G621 P622 L638 M643 E735 I736 K741	R618-Y739 WeakPolarHBondContact CG-O 3.48Å; H620-Y739 WeakPolarHBondContact O-CD1 3.44Å; H620-Y739 WeakPolarHBondContact O-CE1 3.38Å; G621-Y739 VanDerWaalsContact CA-CG 3.5Å; P622-Y739 HydrophobicContact CG-CD2 4.43Å; P622-Y739 HydrophobicContact CG-CE2 4.48Å; L638-Y739 HydrophobicContact CB-CE1 4.33Å; M643-Y739 HydrophobicContact CE-CD1 3.93Å; M643-Y739 HydrophobicContact CE-CD2 4.37Å; M643-Y739 HydrophobicContact CE-CE1 3.28Å; M643-Y739 HydrophobicContact CE-CE2 3.81Å; M643-Y739 HydrophobicContact CE-CG 4.45Å; M643-Y739 WeakPolarHBondContact CE-OH 3.38Å; E735-Y739 PolarHBondContact O-N 3.09Å; E735-Y739 VanDerWaalsContact O-N 3.09Å; I736-Y739 PolarHBondContact O-N 3.33Å; Y739-K741 PolarHBondContact O-N 3.48Å
740	G	92.9	Very high	93.9	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	76.5	16	171.8	0	0	0	0	0	115.3	N614 R618 E735	N614-G740 WeakPolarHBondContact ND2-CA 3.33Å; N614-G740 PolarHBondContact ND2-O 3.43Å; N614-G740 PolarHBondContact OD1-O 3.37Å; R618-G740 VanDerWaalsContact CZ-O 3.31Å; R618-G740 PolarHBondContact NE-O 2.98Å; R618-G740 VanDerWaalsContact NE-O 3.16Å; R618-G740 PolarHBondContact NH2-O 3.48Å; E735-G740 PolarHBondContact O-N 2.99Å
741	K	93.1	Very high	93.5	Very high	71 Å²	71	39.1 Å²	39.1	31%	0.309	19%	0.187	S	C	.	.	P	Polyproline II helix	trans	-65	145.4	178.1	-70.8	179.2	-171.9	-162.6	0	111	D623 W734 T738 Y739	D623-K741 WeakPolarHBondContact OD2-CE 3.38Å; D623-K741 IonicContact OD2-NZ 3.85Å; D623-K741 PolarHBondContact OD2-NZ 2.93Å; W734-K741 HydrophobicContact CZ3-CB 4.44Å; T738-K741 WeakPolarHBondContact O-CD 3.49Å; T738-K741 VanDerWaalsContact O-CG 3.32Å; T738-K741 WeakPolarHBondContact O-CG 3.31Å; Y739-K741 PolarHBondContact O-N 3.48Å
742	Q	94.1	Very high	93.1	Very high	36 Å²	36	39 Å²	39	17%	0.168	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-64.4	129.1	179.3	-173.1	-176.3	73.9	0	0	109.8	T694 D695 W744 Y745	T694-Q742 PolarHBondContact O-NE2 2.88Å; D695-Q742 PolarHBondContact OD1-NE2 3.27Å; Q742-W744 PolarHBondContact O-N 3.36Å; Q742-Y745 WeakPolarHBondContact O-CB 3.32Å; Q742-Y745 PolarHBondContact O-N 3.49Å
743	P	96.3	Very high	92.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	133	172.8	-19.7	30.8	0	0	0	110	R708 W709 V731 W734 E735 Y745 L762	R708-P743 HydrophobicContact CB-CB 4.27Å; R708-P743 WeakPolarHBondContact CD-O 3.47Å; R708-P743 PolarHBondContact NH1-O 3.46Å; W709-P743 HydrophobicContact CD2-CG 4.38Å; W709-P743 VanDerWaalsContact CH2-CD 3.44Å; W709-P743 HydrophobicContact CH2-CG 4.01Å; W709-P743 HydrophobicContact CZ2-CG 3.63Å; V731-P743 HydrophobicContact CG1-CB 3.86Å; V731-P743 HydrophobicContact CG1-CG 3.37Å; W734-P743 HydrophobicContact CE3-CB 4.46Å; W734-P743 HydrophobicContact CE3-CG 4.43Å; W734-P743 HydrophobicContact CZ3-CB 4.39Å; E735-P743 HydrophobicContact CG-CG 4.31Å; P743-Y745 VanDerWaalsContact C-N 3.31Å; P743-Y745 PolarHBondContact O-N 3.01Å; P743-L762 HydrophobicContact CB-CD1 4.02Å; P743-L762 HydrophobicContact CB-CD2 4.16Å
744	W	94.4	Very high	92	Very high	39 Å²	39	45.5 Å²	45.5	15%	0.148	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	33.3	-176.4	-46.1	98.9	0	0	0	115	R708 Q742 Q746 L747 V752 C755 I756 R760 V761 L762	R708-W744 VanDerWaalsContact NH1-C 3.27Å; R708-W744 PolarHBondContact NH1-O 3.5Å; Q742-W744 PolarHBondContact O-N 3.36Å; W744-Q746 PolarHBondContact O-N 2.91Å; W744-L747 HydrophobicContact CB-CB 4.41Å; W744-L747 HydrophobicContact CB-CD1 4.37Å; W744-L747 HydrophobicContact CD2-CD1 4.47Å; W744-L747 HydrophobicContact CE3-CD1 3.78Å; W744-L747 HydrophobicContact CZ3-CD1 4.45Å; W744-L747 PolarHBondContact O-N 3.28Å; W744-V752 HydrophobicContact CB-CG2 3.53Å; W744-V752 HydrophobicContact CG-CG1 4.44Å; W744-V752 HydrophobicContact CG-CG2 3.94Å; W744-C755 HydrophobicContact CH2-CB 4.14Å; W744-C755 HydrophobicContact CZ2-CB 4.46Å; W744-C755 HydrophobicContact CZ3-CB 4.23Å; W744-I756 HydrophobicContact CZ2-CG1 4.36Å; W744-R760 HydrophobicContact CH2-CB 4.19Å; W744-R760 WeakPolarHBondContact CH2-O 3.45Å; W744-V761 WeakPolarHBondContact CH2-O 3.33Å; W744-L762 HydrophobicContact CD2-CD2 3.57Å; W744-L762 HydrophobicContact CD2-CG 4.31Å; W744-L762 HydrophobicContact CE3-CD2 4.12Å; W744-L762 HydrophobicContact CG-CD2 3.78Å; W744-L762 HydrophobicContact CZ2-CD2 4.13Å; W744-L762 HydrophobicContact CZ2-CG 3.97Å
745	Y	90.6	Very high	91.7	Very high	138 Å²	138	44.7 Å²	44.7	54%	0.541	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-15.5	-177.8	70	-87.6	0	0	0	116.4	Q742 P743	Q742-Y745 WeakPolarHBondContact O-CB 3.32Å; Q742-Y745 PolarHBondContact O-N 3.49Å; P743-Y745 VanDerWaalsContact C-N 3.31Å; P743-Y745 PolarHBondContact O-N 3.01Å
746	Q	90.8	Very high	91.3	Very high	151 Å²	151	44.8 Å²	44.8	71%	0.706	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-8.6	176.9	-59.2	-177.3	-2.6	0	0	113.7	W744	W744-Q746 PolarHBondContact O-N 2.91Å
747	L	90.8	Very high	90.8	Very high	44 Å²	44	46.5 Å²	46.5	23%	0.23	23%	0.225	C	C	.	.	S	Bend	trans	-120.2	145	-169.8	-59.1	-176.5	0	0	0	111.8	R708 W744 E751 V752 C755	R708-L747 PolarHBondContact NH2-O 2.89Å; W744-L747 HydrophobicContact CB-CB 4.41Å; W744-L747 HydrophobicContact CB-CD1 4.37Å; W744-L747 HydrophobicContact CD2-CD1 4.47Å; W744-L747 HydrophobicContact CE3-CD1 3.78Å; W744-L747 HydrophobicContact CZ3-CD1 4.45Å; W744-L747 PolarHBondContact O-N 3.28Å; L747-E751 HydrophobicContact CB-CB 4.02Å; L747-E751 HydrophobicContact CD2-CB 4.4Å; L747-V752 HydrophobicContact CB-CG2 3.97Å; L747-C755 WeakPolarHBondContact CD1-SG 3.34Å
748	S	89.6	Confident	90.6	Very high	58 Å²	58	51.6 Å²	51.6	41%	0.406	25%	0.249	S	C	.	.			trans	-69.7	163.8	169.1	72.6	0	0	0	0	112.1	N750 E751 V752	S748-N750 PolarHBondContact O-N 2.88Å; S748-E751 WeakPolarHBondContact CA-OE2 3.47Å; S748-E751 WeakPolarHBondContact CB-OE2 3.25Å; S748-E751 PolarHBondContact N-OE2 3.23Å; S748-E751 PolarHBondContact O-N 2.89Å; S748-E751 VanDerWaalsContact O-N 3.14Å; S748-E751 WeakPolarHBondContact OG-CG 3.36Å; S748-E751 PolarHBondContact OG-OE2 2.86Å; S748-V752 WeakPolarHBondContact O-CG2 3.4Å; S748-V752 PolarHBondContact O-N 3.46Å
749	N	85.8	Confident	90.3	Very high	36 Å²	36	52.7 Å²	52.7	19%	0.193	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-29.7	-177.9	-73.1	-7.7	0	0	0	113.6	Y697 I707 R708 I753	Y697-N749 HydrophobicContact CD2-CB 3.8Å; Y697-N749 HydrophobicContact CE2-CB 4.29Å; Y697-N749 HydrophobicContact CG-CB 4Å; I707-N749 HydrophobicContact CD1-CB 3.62Å; I707-N749 VanDerWaalsContact CD1-O 3.25Å; I707-N749 WeakPolarHBondContact CD1-O 3.31Å; R708-N749 PolarHBondContact NE-OD1 3.16Å; R708-N749 PolarHBondContact NH2-OD1 3.33Å; N749-I753 WeakPolarHBondContact O-CG1 3.3Å; N749-I753 PolarHBondContact O-N 2.94Å
750	N	86.8	Confident	90.3	Very high	101 Å²	101	56.7 Å²	56.7	54%	0.54	28%	0.279	S	S	.	.	H	α-helix	trans	-74.8	-41.5	175.1	-69.1	-24.7	0	0	0	112.1	Y697 S748 V752 I753 E754	Y697-N750 PolarHBondContact OH-OD1 3.03Å; S748-N750 PolarHBondContact O-N 2.88Å; N750-V752 VanDerWaalsContact C-N 3.28Å; N750-V752 PolarHBondContact O-N 3.44Å; N750-I753 PolarHBondContact O-N 3.01Å; N750-E754 PolarHBondContact O-N 3.34Å
751	E	90.3	Very high	90.4	Very high	87 Å²	87	59 Å²	59	41%	0.407	29%	0.292	S	S	.	.	H	α-helix	trans	-65.9	-31.3	175.6	-68.1	163	113	0	0	111.9	L747 S748 E754 C755	L747-E751 HydrophobicContact CB-CB 4.02Å; L747-E751 HydrophobicContact CD2-CB 4.4Å; S748-E751 WeakPolarHBondContact CA-OE2 3.47Å; S748-E751 WeakPolarHBondContact CB-OE2 3.25Å; S748-E751 PolarHBondContact N-OE2 3.23Å; S748-E751 PolarHBondContact O-N 2.89Å; S748-E751 VanDerWaalsContact O-N 3.14Å; S748-E751 WeakPolarHBondContact OG-CG 3.36Å; S748-E751 PolarHBondContact OG-OE2 2.86Å; E751-E754 PolarHBondContact O-N 3.42Å; E751-C755 WeakPolarHBondContact O-CB 3.35Å; E751-C755 PolarHBondContact O-N 3.14Å; E751-C755 PolarHBondContact O-SG 3.29Å; E751-C755 VanDerWaalsContact O-SG 3.33Å
752	V	89.2	Confident	90.6	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-45.1	171.6	170.4	0	0	0	0	111.5	I707 R708 W744 L747 S748 N750 E754 C755 I756	I707-V752 HydrophobicContact CD1-CB 4.5Å; I707-V752 HydrophobicContact CD1-CG1 4.38Å; R708-V752 HydrophobicContact CG-CG1 4.01Å; R708-V752 HydrophobicContact CG-CG2 4.35Å; W744-V752 HydrophobicContact CB-CG2 3.53Å; W744-V752 HydrophobicContact CG-CG1 4.44Å; W744-V752 HydrophobicContact CG-CG2 3.94Å; L747-V752 HydrophobicContact CB-CG2 3.97Å; S748-V752 WeakPolarHBondContact O-CG2 3.4Å; S748-V752 PolarHBondContact O-N 3.46Å; N750-V752 VanDerWaalsContact C-N 3.28Å; N750-V752 PolarHBondContact O-N 3.44Å; V752-E754 VanDerWaalsContact C-N 3.32Å; V752-E754 PolarHBondContact O-N 3.28Å; V752-C755 WeakPolarHBondContact O-CB 3.26Å; V752-C755 PolarHBondContact O-N 2.92Å; V752-I756 HydrophobicContact CG1-CD1 3.7Å; V752-I756 WeakPolarHBondContact O-CG1 3.31Å; V752-I756 PolarHBondContact O-N 3.47Å
753	I	86.6	Confident	90.6	Very high	44 Å²	44	62.1 Å²	62.1	23%	0.226	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-44.1	174.6	-70.8	164.5	0	0	0	110.3	Y697 I707 I715 N749 N750 T757	Y697-I753 HydrophobicContact CD1-CD1 3.91Å; Y697-I753 HydrophobicContact CE1-CD1 3.73Å; I707-I753 HydrophobicContact CD1-CD1 4.09Å; I707-I753 HydrophobicContact CD1-CG1 3.98Å; I715-I753 HydrophobicContact CG2-CG1 4.14Å; I715-I753 HydrophobicContact CG2-CG2 3.97Å; N749-I753 WeakPolarHBondContact O-CG1 3.3Å; N749-I753 PolarHBondContact O-N 2.94Å; N750-I753 PolarHBondContact O-N 3.01Å; I753-T757 HydrophobicContact CG2-CG2 4.41Å; I753-T757 WeakPolarHBondContact O-CB 3.41Å; I753-T757 VanDerWaalsContact O-CG2 3.28Å; I753-T757 WeakPolarHBondContact O-CG2 3.29Å; I753-T757 PolarHBondContact O-N 3.02Å; I753-T757 PolarHBondContact O-OG1 3.44Å
754	E	87	Confident	90.5	Very high	92 Å²	92	68.1 Å²	68.1	43%	0.43	33%	0.331	S	S	.	.	H	α-helix	trans	-62.9	-47.1	176.3	-165.7	-164.1	144	0	0	112.2	N750 E751 V752 I756 T757 Q758 R760	N750-E754 PolarHBondContact O-N 3.34Å; E751-E754 PolarHBondContact O-N 3.42Å; V752-E754 VanDerWaalsContact C-N 3.32Å; V752-E754 PolarHBondContact O-N 3.28Å; E754-I756 PolarHBondContact O-N 2.95Å; E754-T757 PolarHBondContact O-OG1 3.31Å; E754-Q758 HydrophobicContact CG-CG 4.43Å; E754-Q758 VanDerWaalsContact CG-NE2 3.32Å; E754-Q758 VanDerWaalsContact O-CB 3.27Å; E754-Q758 WeakPolarHBondContact O-CB 3.45Å; E754-Q758 VanDerWaalsContact O-CG 3.23Å; E754-Q758 WeakPolarHBondContact O-CG 3.38Å; E754-Q758 PolarHBondContact O-N 3.38Å; E754-Q758 PolarHBondContact OE1-NE2 3.01Å; E754-R760 IonicContact OE1-NH2 2.71Å; E754-R760 PolarHBondContact OE1-NH2 2.95Å
755	C	90.1	Very high	90.3	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.014	33%	0.328	C	S	.	.	H	α-helix	trans	-52.3	-56.2	175	-84.2	0	0	0	0	112	W744 L747 E751 V752 Q758 G759 R760	W744-C755 HydrophobicContact CH2-CB 4.14Å; W744-C755 HydrophobicContact CZ2-CB 4.46Å; W744-C755 HydrophobicContact CZ3-CB 4.23Å; L747-C755 WeakPolarHBondContact CD1-SG 3.34Å; E751-C755 WeakPolarHBondContact O-CB 3.35Å; E751-C755 PolarHBondContact O-N 3.14Å; E751-C755 PolarHBondContact O-SG 3.29Å; E751-C755 VanDerWaalsContact O-SG 3.33Å; V752-C755 WeakPolarHBondContact O-CB 3.26Å; V752-C755 PolarHBondContact O-N 2.92Å; C755-Q758 PolarHBondContact O-N 2.96Å; C755-G759 PolarHBondContact O-N 2.94Å; C755-G759 VanDerWaalsContact O-N 3.15Å; C755-R760 HydrophobicContact CB-CB 4.11Å; C755-R760 WeakPolarHBondContact O-CB 3.39Å; C755-R760 PolarHBondContact O-N 3.41Å; C755-R760 PolarHBondContact SG-NH1 2.97Å
756	I	89.9	Confident	90	Very high	2 Å²	2	72.4 Å²	72.4	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-68.1	-42.4	-173	-65.3	168.4	0	0	0	110.3	P712 I715 W727 W744 V752 E754 Q758 G759	P712-I756 HydrophobicContact CB-CG2 4.36Å; P712-I756 HydrophobicContact CG-CG2 3.75Å; I715-I756 HydrophobicContact CD1-CB 4.12Å; I715-I756 HydrophobicContact CD1-CD1 3.89Å; I715-I756 HydrophobicContact CD1-CG2 3.81Å; W727-I756 HydrophobicContact CH2-CG2 4.36Å; W727-I756 HydrophobicContact CZ2-CG2 3.91Å; W744-I756 HydrophobicContact CZ2-CG1 4.36Å; V752-I756 HydrophobicContact CG1-CD1 3.7Å; V752-I756 WeakPolarHBondContact O-CG1 3.31Å; V752-I756 PolarHBondContact O-N 3.47Å; E754-I756 PolarHBondContact O-N 2.95Å; I756-Q758 VanDerWaalsContact C-N 3.33Å; I756-Q758 PolarHBondContact O-N 3.44Å; I756-G759 PolarHBondContact O-N 2.83Å
757	T	86.6	Confident	89.4	Confident	35 Å²	35	68.9 Å²	68.9	22%	0.215	34%	0.337	C	S	.	.	H	α-helix	trans	-66.9	-32.2	178	54.2	0	0	0	0	112.8	I715 M716 I753 E754 G759 R782	I715-T757 HydrophobicContact CG2-CG2 4.45Å; M716-T757 HydrophobicContact CG-CG2 3.63Å; M716-T757 HydrophobicContact SD-CG2 3.78Å; I753-T757 HydrophobicContact CG2-CG2 4.41Å; I753-T757 WeakPolarHBondContact O-CB 3.41Å; I753-T757 VanDerWaalsContact O-CG2 3.28Å; I753-T757 WeakPolarHBondContact O-CG2 3.29Å; I753-T757 PolarHBondContact O-N 3.02Å; I753-T757 PolarHBondContact O-OG1 3.44Å; E754-T757 PolarHBondContact O-OG1 3.31Å; T757-G759 VanDerWaalsContact C-N 3.26Å; T757-G759 PolarHBondContact O-N 2.93Å; T757-R782 VanDerWaalsContact O-CZ 3.32Å; T757-R782 PolarHBondContact O-NH1 3.45Å; T757-R782 PolarHBondContact O-NH2 2.91Å
758	Q	89.8	Confident	89.3	Confident	107 Å²	107	66.9 Å²	66.9	50%	0.5	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-9	169.8	-71.6	171.9	-4.6	0	0	114.2	E754 C755 I756 R760	E754-Q758 HydrophobicContact CG-CG 4.43Å; E754-Q758 VanDerWaalsContact CG-NE2 3.32Å; E754-Q758 VanDerWaalsContact O-CB 3.27Å; E754-Q758 WeakPolarHBondContact O-CB 3.45Å; E754-Q758 VanDerWaalsContact O-CG 3.23Å; E754-Q758 WeakPolarHBondContact O-CG 3.38Å; E754-Q758 PolarHBondContact O-N 3.38Å; E754-Q758 PolarHBondContact OE1-NE2 3.01Å; C755-Q758 PolarHBondContact O-N 2.96Å; I756-Q758 VanDerWaalsContact C-N 3.33Å; I756-Q758 PolarHBondContact O-N 3.44Å; Q758-R760 VanDerWaalsContact OE1-CZ 3.24Å
759	G	88.6	Confident	89.3	Confident	39 Å²	39	65.1 Å²	65.1	40%	0.402	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	19.4	-178.3	0	0	0	0	0	114.7	C755 I756 T757	C755-G759 PolarHBondContact O-N 2.94Å; C755-G759 VanDerWaalsContact O-N 3.15Å; I756-G759 PolarHBondContact O-N 2.83Å; T757-G759 VanDerWaalsContact C-N 3.26Å; T757-G759 PolarHBondContact O-N 2.93Å
760	R	92.9	Very high	89.5	Confident	109 Å²	109	68.7 Å²	68.7	41%	0.411	33%	0.327	S	S	.	.			trans	-73.2	136.2	167.7	-59.9	-171.4	-108.5	159.9	-1.7	109	W744 E754 C755 Q758	W744-R760 HydrophobicContact CH2-CB 4.19Å; W744-R760 WeakPolarHBondContact CH2-O 3.45Å; E754-R760 IonicContact OE1-NH2 2.71Å; E754-R760 PolarHBondContact OE1-NH2 2.95Å; C755-R760 HydrophobicContact CB-CB 4.11Å; C755-R760 WeakPolarHBondContact O-CB 3.39Å; C755-R760 PolarHBondContact O-N 3.41Å; C755-R760 PolarHBondContact SG-NH1 2.97Å; Q758-R760 VanDerWaalsContact OE1-CZ 3.24Å
761	V	95.3	Very high	89.7	Confident	47 Å²	47	68.5 Å²	68.5	29%	0.285	32%	0.323	S	S	.	.			trans	-116.9	162	179.1	-61.7	0	0	0	0	111.7	W744 L777 W780	W744-V761 WeakPolarHBondContact CH2-O 3.33Å; V761-L777 HydrophobicContact CG2-CD2 4.01Å; V761-W780 HydrophobicContact CB-CD2 4.48Å; V761-W780 HydrophobicContact CB-CE3 3.83Å; V761-W780 HydrophobicContact CB-CZ3 4.42Å; V761-W780 HydrophobicContact CG1-CB 3.84Å; V761-W780 HydrophobicContact CG1-CE3 4.3Å; V761-W780 HydrophobicContact CG1-CG 4.47Å; V761-W780 HydrophobicContact CG2-CE3 4.42Å
762	L	96.4	Very high	89.9	Confident	9 Å²	9	64.4 Å²	64.4	5%	0.047	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-64.9	141.2	179.3	-68.6	159.9	0	0	0	111	V731 W734 P743 W744 Y773 W780	V731-L762 HydrophobicContact CG1-CD1 4.21Å; V731-L762 HydrophobicContact CG2-CD1 4.34Å; W734-L762 HydrophobicContact CB-CD1 4.24Å; W734-L762 HydrophobicContact CD2-CB 4.41Å; W734-L762 HydrophobicContact CD2-CD1 3.99Å; W734-L762 HydrophobicContact CD2-CD2 4.45Å; W734-L762 HydrophobicContact CE3-CD1 4.37Å; W734-L762 HydrophobicContact CG-CB 4.22Å; W734-L762 HydrophobicContact CG-CD1 3.93Å; W734-L762 HydrophobicContact CZ2-CD2 4.23Å; P743-L762 HydrophobicContact CB-CD1 4.02Å; P743-L762 HydrophobicContact CB-CD2 4.16Å; W744-L762 HydrophobicContact CD2-CD2 3.57Å; W744-L762 HydrophobicContact CD2-CG 4.31Å; W744-L762 HydrophobicContact CE3-CD2 4.12Å; W744-L762 HydrophobicContact CG-CD2 3.78Å; W744-L762 HydrophobicContact CZ2-CD2 4.13Å; W744-L762 HydrophobicContact CZ2-CG 3.97Å; L762-Y773 PolarHBondContact O-OH 3.11Å; L762-Y773 VanDerWaalsContact O-OH 3.11Å; L762-W780 HydrophobicContact CB-CH2 3.66Å; L762-W780 HydrophobicContact CB-CZ2 4.32Å; L762-W780 HydrophobicContact CB-CZ3 3.99Å; L762-W780 HydrophobicContact CD1-CH2 3.98Å; L762-W780 HydrophobicContact CD1-CZ2 3.82Å; L762-W780 HydrophobicContact CG-CH2 4.37Å
763	Q	93.9	Very high	90.2	Very high	164 Å²	164	66.3 Å²	66.3	77%	0.766	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-74.3	147.9	180	-61.7	-178.5	5.8	0	0	112.1	W734 P765	W734-Q763 PolarHBondContact NE1-O 3.02Å; Q763-P765 WeakPolarHBondContact O-CD 3.46Å
764	R	94.8	Very high	90.7	Very high	127 Å²	127	67.4 Å²	67.4	48%	0.479	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-56.5	123.8	177.6	-172.1	168.9	70.5	106.1	-3.2	111.8	C768 Y773	R764-C768 HydrophobicContact CG-CB 4.08Å; R764-C768 PolarHBondContact NH1-O 2.79Å; R764-Y773 HydrophobicContact CB-CD1 3.89Å; R764-Y773 HydrophobicContact CB-CD2 3.55Å; R764-Y773 HydrophobicContact CB-CE1 3.94Å; R764-Y773 HydrophobicContact CB-CE2 3.63Å; R764-Y773 HydrophobicContact CB-CG 3.67Å; R764-Y773 HydrophobicContact CG-CD1 4.09Å; R764-Y773 HydrophobicContact CG-CD2 3.74Å; R764-Y773 HydrophobicContact CG-CE2 4.34Å; R764-Y773 HydrophobicContact CG-CG 3.58Å; R764-Y773 VanDerWaalsContact N-CE2 3.27Å
765	P	91.4	Very high	91.1	Very high	12 Å²	12	63.5 Å²	63.5	8%	0.078	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-61	146.4	172.3	-21	31.8	0	0	0	111.8	W734 F737 T738 Q763 T767 C768	W734-P765 HydrophobicContact CG-CG 4.35Å; F737-P765 HydrophobicContact CB-CB 4.37Å; F737-P765 HydrophobicContact CB-CG 4.18Å; F737-P765 VanDerWaalsContact O-CB 3.24Å; F737-P765 WeakPolarHBondContact O-CB 3.43Å; T738-P765 HydrophobicContact CG2-CB 3.71Å; T738-P765 HydrophobicContact CG2-CG 3.56Å; Q763-P765 WeakPolarHBondContact O-CD 3.46Å; P765-T767 PolarHBondContact O-N 2.61Å; P765-C768 HydrophobicContact CB-CB 3.8Å; P765-C768 HydrophobicContact CG-CB 3.93Å; P765-C768 WeakPolarHBondContact O-CB 3.44Å; P765-C768 PolarHBondContact O-N 3.09Å
766	R	83.9	Confident	91.5	Very high	254 Å²	254	63.4 Å²	63.4	96%	0.958	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-34.4	-176	-67.4	-177.2	179.7	174.5	-0	113.4
767	T	78.5	Confident	91.8	Very high	78 Å²	78	66 Å²	66	48%	0.479	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-2.5	179.5	40.6	0	0	0	0	113.6	F737 P765	F737-T767 PolarHBondContact O-OG1 3.15Å; P765-T767 PolarHBondContact O-N 2.61Å
768	C	88.3	Confident	92.4	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.014	31%	0.308	C	S	.	.	S	Bend	trans	-84.1	124.6	-177.7	-175.1	0	0	0	0	111.2	F737 R764 P765 M776	F737-C768 HydrophobicContact CB-CB 3.99Å; F737-C768 HydrophobicContact CD1-CB 4.16Å; F737-C768 HydrophobicContact CG-CB 4.22Å; R764-C768 HydrophobicContact CG-CB 4.08Å; R764-C768 PolarHBondContact NH1-O 2.79Å; P765-C768 HydrophobicContact CB-CB 3.8Å; P765-C768 HydrophobicContact CG-CB 3.93Å; P765-C768 WeakPolarHBondContact O-CB 3.44Å; P765-C768 PolarHBondContact O-N 3.09Å; C768-M776 VanDerWaalsContact SG-CE 3.53Å
769	P	88.9	Confident	92.7	Very high	20 Å²	20	59.8 Å²	59.8	13%	0.13	29%	0.285	C	S	.	.			trans	-54.4	152.9	170.1	-24.2	34.4	0	0	0	111.7	Q640 F737 E771 V772 Y773	Q640-P769 HydrophobicContact CG-CG 4.13Å; F737-P769 HydrophobicContact CE1-CG 4.39Å; P769-E771 VanDerWaalsContact CB-OE2 3.3Å; P769-E771 WeakPolarHBondContact CB-OE2 3.42Å; P769-E771 PolarHBondContact O-N 3.45Å; P769-V772 HydrophobicContact CB-CG2 4.06Å; P769-V772 HydrophobicContact CG-CG2 4.04Å; P769-V772 PolarHBondContact O-N 2.98Å; P769-Y773 PolarHBondContact O-N 3.13Å
770	K	91	Very high	93.2	Very high	112 Å²	112	58.6 Å²	58.6	49%	0.487	27%	0.268	S	S	.	.	H	α-helix	trans	-62.8	-39.9	179.8	-173.2	-156.7	174.4	-61.6	0	110	V772 Y773 D774	K770-V772 VanDerWaalsContact C-N 3.33Å; K770-V772 PolarHBondContact O-N 3.11Å; K770-Y773 CarbonylContact O-C 3.53Å; K770-Y773 WeakPolarHBondContact O-CA 3.46Å; K770-Y773 WeakPolarHBondContact O-CB 2.93Å; K770-Y773 PolarHBondContact O-N 3.21Å; K770-Y773 VanDerWaalsContact O-N 3.08Å; K770-D774 IonicContact NZ-OD1 2.71Å; K770-D774 PolarHBondContact NZ-OD1 3.29Å; K770-D774 IonicContact NZ-OD2 2.66Å; K770-D774 PolarHBondContact NZ-OD2 3.22Å; K770-D774 PolarHBondContact O-N 3.18Å
771	E	91.3	Very high	93.4	Very high	97 Å²	97	57.3 Å²	57.3	45%	0.453	27%	0.266	S	S	.	.	H	α-helix	trans	-62.6	-39.8	-175.8	-56.8	65.1	-141.8	0	0	110.9	P769 L775 L800	P769-E771 VanDerWaalsContact CB-OE2 3.3Å; P769-E771 WeakPolarHBondContact CB-OE2 3.42Å; P769-E771 PolarHBondContact O-N 3.45Å; E771-L775 WeakPolarHBondContact O-CG 3.49Å; E771-L775 PolarHBondContact O-N 3.45Å; E771-L800 HydrophobicContact CB-CD1 4.27Å; E771-L800 HydrophobicContact CB-CD2 3.95Å; E771-L800 HydrophobicContact CG-CD2 4.37Å
772	V	92.8	Very high	93.3	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-72.6	-36.3	175.1	-175.9	0	0	0	0	111	L644 F737 P769 K770 L775 M776 L800	L644-V772 HydrophobicContact CD2-CG2 3.7Å; F737-V772 HydrophobicContact CD2-CG1 4.02Å; F737-V772 HydrophobicContact CE2-CG1 3.71Å; F737-V772 HydrophobicContact CE2-CG2 4.49Å; F737-V772 HydrophobicContact CZ-CG1 4.21Å; F737-V772 HydrophobicContact CZ-CG2 4.21Å; P769-V772 HydrophobicContact CB-CG2 4.06Å; P769-V772 HydrophobicContact CG-CG2 4.04Å; P769-V772 PolarHBondContact O-N 2.98Å; K770-V772 VanDerWaalsContact C-N 3.33Å; K770-V772 PolarHBondContact O-N 3.11Å; V772-L775 WeakPolarHBondContact O-CB 3.24Å; V772-L775 PolarHBondContact O-N 3.01Å; V772-M776 HydrophobicContact CG1-CE 4.06Å; V772-M776 WeakPolarHBondContact O-CG 3.12Å; V772-M776 PolarHBondContact O-N 3.26Å; V772-M776 VanDerWaalsContact O-N 3.07Å; V772-L800 HydrophobicContact CG2-CD1 3.96Å
773	Y	96.8	Very high	93.1	Very high	39 Å²	39	64.6 Å²	64.6	15%	0.153	29%	0.292	C	S	.	.	H	α-helix	trans	-70.3	-33.1	174.6	-174	-108.4	0	0	0	112.8	L762 R764 P769 K770 L775 M776 L777 W780	L762-Y773 PolarHBondContact O-OH 3.11Å; L762-Y773 VanDerWaalsContact O-OH 3.11Å; R764-Y773 HydrophobicContact CB-CD1 3.89Å; R764-Y773 HydrophobicContact CB-CD2 3.55Å; R764-Y773 HydrophobicContact CB-CE1 3.94Å; R764-Y773 HydrophobicContact CB-CE2 3.63Å; R764-Y773 HydrophobicContact CB-CG 3.67Å; R764-Y773 HydrophobicContact CG-CD1 4.09Å; R764-Y773 HydrophobicContact CG-CD2 3.74Å; R764-Y773 HydrophobicContact CG-CE2 4.34Å; R764-Y773 HydrophobicContact CG-CG 3.58Å; R764-Y773 VanDerWaalsContact N-CE2 3.27Å; P769-Y773 PolarHBondContact O-N 3.13Å; K770-Y773 CarbonylContact O-C 3.53Å; K770-Y773 WeakPolarHBondContact O-CA 3.46Å; K770-Y773 WeakPolarHBondContact O-CB 2.93Å; K770-Y773 PolarHBondContact O-N 3.21Å; K770-Y773 VanDerWaalsContact O-N 3.08Å; Y773-L775 VanDerWaalsContact C-N 3.28Å; Y773-L775 PolarHBondContact O-N 3.21Å; Y773-M776 HydrophobicContact CD2-CB 4.41Å; Y773-M776 HydrophobicContact CD2-SD 3.82Å; Y773-M776 WeakPolarHBondContact O-CB 3.5Å; Y773-M776 PolarHBondContact O-N 3.45Å; Y773-M776 VanDerWaalsContact O-N 3.12Å; Y773-L777 HydrophobicContact CD1-CD1 3.93Å; Y773-L777 HydrophobicContact CD1-CG 4.18Å; Y773-L777 HydrophobicContact CE1-CD1 3.67Å; Y773-L777 HydrophobicContact CE1-CD2 4.09Å; Y773-L777 HydrophobicContact CE1-CG 3.89Å; Y773-L777 WeakPolarHBondContact O-CG 3.4Å; Y773-L777 PolarHBondContact O-N 2.94Å; Y773-W780 HydrophobicContact CE2-CZ3 4.2Å
774	D	95.9	Very high	93.1	Very high	67 Å²	67	58.2 Å²	58.2	36%	0.358	27%	0.265	S	S	.	.	H	α-helix	trans	-62.1	-37.4	171.5	-62.3	-31.4	0	0	0	110.7	K770 L777 G778	K770-D774 IonicContact NZ-OD1 2.71Å; K770-D774 PolarHBondContact NZ-OD1 3.29Å; K770-D774 IonicContact NZ-OD2 2.66Å; K770-D774 PolarHBondContact NZ-OD2 3.22Å; K770-D774 PolarHBondContact O-N 3.18Å; D774-L777 PolarHBondContact O-N 3.28Å; D774-G778 PolarHBondContact O-N 3.31Å
775	L	95.8	Very high	93	Very high	10 Å²	10	59 Å²	59	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-62.5	-43.9	169.5	-66.8	173	0	0	0	112.1	E771 V772 Y773 L777 G778 C779 L788 L796 L797 L800	E771-L775 WeakPolarHBondContact O-CG 3.49Å; E771-L775 PolarHBondContact O-N 3.45Å; V772-L775 WeakPolarHBondContact O-CB 3.24Å; V772-L775 PolarHBondContact O-N 3.01Å; Y773-L775 VanDerWaalsContact C-N 3.28Å; Y773-L775 PolarHBondContact O-N 3.21Å; L775-L777 VanDerWaalsContact C-N 3.34Å; L775-L777 PolarHBondContact O-N 3.5Å; L775-G778 CarbonylContact O-C 3.54Å; L775-G778 WeakPolarHBondContact O-CA 3.17Å; L775-G778 PolarHBondContact O-N 3.31Å; L775-G778 VanDerWaalsContact O-N 3.12Å; L775-C779 PolarHBondContact O-N 3.48Å; L775-C779 PolarHBondContact O-SG 2.72Å; L775-L788 HydrophobicContact CD2-CD1 3.94Å; L775-L796 HydrophobicContact CD1-CB 4.26Å; L775-L796 HydrophobicContact CD2-CB 3.86Å; L775-L796 HydrophobicContact CD2-CD1 3.57Å; L775-L796 HydrophobicContact CD2-CG 4.33Å; L775-L797 HydrophobicContact CD1-CD2 3.8Å; L775-L797 HydrophobicContact CD1-CG 3.99Å; L775-L800 HydrophobicContact CD1-CD1 4.14Å
776	M	98	Very high	93.2	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-44.4	175.3	-61.4	177.8	-161.9	0	0	111.5	L733 W734 C768 V772 Y773 G778 C779 W780	L733-M776 HydrophobicContact CB-CE 3.93Å; L733-M776 HydrophobicContact CB-CG 4.03Å; L733-M776 HydrophobicContact CD1-CG 4.39Å; W734-M776 HydrophobicContact CB-CE 4.39Å; W734-M776 HydrophobicContact CB-SD 4Å; W734-M776 HydrophobicContact CG-SD 4.49Å; C768-M776 VanDerWaalsContact SG-CE 3.53Å; V772-M776 HydrophobicContact CG1-CE 4.06Å; V772-M776 WeakPolarHBondContact O-CG 3.12Å; V772-M776 PolarHBondContact O-N 3.26Å; V772-M776 VanDerWaalsContact O-N 3.07Å; Y773-M776 HydrophobicContact CD2-CB 4.41Å; Y773-M776 HydrophobicContact CD2-SD 3.82Å; Y773-M776 WeakPolarHBondContact O-CB 3.5Å; Y773-M776 PolarHBondContact O-N 3.45Å; Y773-M776 VanDerWaalsContact O-N 3.12Å; M776-G778 VanDerWaalsContact C-N 3.29Å; M776-G778 PolarHBondContact O-N 3.39Å; M776-C779 WeakPolarHBondContact O-CA 3.46Å; M776-C779 WeakPolarHBondContact O-CB 3.37Å; M776-C779 PolarHBondContact O-N 3.24Å; M776-C779 VanDerWaalsContact O-N 3.07Å; M776-W780 HydrophobicContact CB-CD2 4.37Å; M776-W780 HydrophobicContact CB-CE3 3.98Å; M776-W780 HydrophobicContact CB-CH2 3.67Å; M776-W780 HydrophobicContact CB-CZ2 4.08Å; M776-W780 HydrophobicContact CB-CZ3 3.63Å; M776-W780 HydrophobicContact CG-CH2 4.11Å; M776-W780 HydrophobicContact CG-CZ2 4.46Å; M776-W780 VanDerWaalsContact O-CD2 3.29Å; M776-W780 VanDerWaalsContact O-CG 3.3Å; M776-W780 PolarHBondContact O-N 3.48Å; M776-W780 HydrophobicContact SD-CH2 3.77Å; M776-W780 HydrophobicContact SD-CZ2 4.48Å; M776-W780 HydrophobicContact SD-CZ3 4.33Å
777	L	97.8	Very high	93.9	Very high	58 Å²	58	53 Å²	53	30%	0.304	26%	0.256	S	S	.	.	H	α-helix	trans	-63.2	-34.2	175	-66.8	176.1	0	0	0	112.5	V761 Y773 D774 L775 C779 W780 Q781	V761-L777 HydrophobicContact CG2-CD2 4.01Å; Y773-L777 HydrophobicContact CD1-CD1 3.93Å; Y773-L777 HydrophobicContact CD1-CG 4.18Å; Y773-L777 HydrophobicContact CE1-CD1 3.67Å; Y773-L777 HydrophobicContact CE1-CD2 4.09Å; Y773-L777 HydrophobicContact CE1-CG 3.89Å; Y773-L777 WeakPolarHBondContact O-CG 3.4Å; Y773-L777 PolarHBondContact O-N 2.94Å; D774-L777 PolarHBondContact O-N 3.28Å; L775-L777 VanDerWaalsContact C-N 3.34Å; L775-L777 PolarHBondContact O-N 3.5Å; L777-C779 VanDerWaalsContact C-N 3.34Å; L777-W780 PolarHBondContact O-N 3.03Å; L777-Q781 PolarHBondContact O-NE2 3.27Å
778	G	97.3	Very high	94.7	Very high	11 Å²	11	51.8 Å²	51.8	11%	0.113	25%	0.247	C	C	.	.	H	α-helix	trans	-69.1	-27.6	171.4	0	0	0	0	0	114	D774 L775 M776 R787 L788	D774-G778 PolarHBondContact O-N 3.31Å; L775-G778 CarbonylContact O-C 3.54Å; L775-G778 WeakPolarHBondContact O-CA 3.17Å; L775-G778 PolarHBondContact O-N 3.31Å; L775-G778 VanDerWaalsContact O-N 3.12Å; M776-G778 VanDerWaalsContact C-N 3.29Å; M776-G778 PolarHBondContact O-N 3.39Å; G778-R787 WeakPolarHBondContact O-CA 3.33Å; G778-L788 PolarHBondContact O-N 2.91Å
779	C	98.1	Very high	94.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-76.2	-35.3	171.1	-60.9	0	0	0	0	112	V726 L775 M776 L777 Q781 R787	V726-C779 HydrophobicContact CG1-CB 4.17Å; V726-C779 WeakPolarHBondContact O-CB 3.5Å; L775-C779 PolarHBondContact O-N 3.48Å; L775-C779 PolarHBondContact O-SG 2.72Å; M776-C779 WeakPolarHBondContact O-CA 3.46Å; M776-C779 WeakPolarHBondContact O-CB 3.37Å; M776-C779 PolarHBondContact O-N 3.24Å; M776-C779 VanDerWaalsContact O-N 3.07Å; L777-C779 VanDerWaalsContact C-N 3.34Å; C779-Q781 VanDerWaalsContact C-N 3.33Å; C779-Q781 PolarHBondContact O-N 3.36Å; C779-R787 VanDerWaalsContact O-CD 3.28Å; C779-R787 WeakPolarHBondContact O-CD 3.32Å; C779-R787 WeakPolarHBondContact O-CG 3.49Å
780	W	98.2	Very high	95.1	Very high	14 Å²	14	55.3 Å²	55.3	5%	0.053	26%	0.264	C	S	.	.			trans	-92.5	27.4	-175.2	-56.6	-34.3	0	0	0	114.7	W727 G730 V731 W734 V761 L762 Y773 M776 L777 R782	W727-W780 AromaticContact CD2-CD1 3.63Å; W727-W780 HydrophobicContact CD2-CG 4.41Å; W727-W780 AromaticContact CE2-CD1 3.75Å; W727-W780 HydrophobicContact CE3-CB 4.12Å; W727-W780 HydrophobicContact CE3-CG 4.5Å; W727-W780 AromaticContact CG-CD1 3.86Å; W727-W780 HydrophobicContact CH2-CB 4.14Å; W727-W780 HydrophobicContact CZ3-CB 3.93Å; W727-W780 WeakPolarHBondContact CZ3-O 3.37Å; W727-W780 PolarHBondContact O-NE1 3.46Å; G730-W780 VanDerWaalsContact C-CZ2 3.47Å; G730-W780 WeakPolarHBondContact O-CZ2 3.37Å; V731-W780 HydrophobicContact CG2-CZ2 4.25Å; W734-W780 HydrophobicContact CB-CH2 4.12Å; W734-W780 HydrophobicContact CB-CZ2 4.21Å; W734-W780 HydrophobicContact CG-CH2 4.34Å; V761-W780 HydrophobicContact CB-CD2 4.48Å; V761-W780 HydrophobicContact CB-CE3 3.83Å; V761-W780 HydrophobicContact CB-CZ3 4.42Å; V761-W780 HydrophobicContact CG1-CB 3.84Å; V761-W780 HydrophobicContact CG1-CE3 4.3Å; V761-W780 HydrophobicContact CG1-CG 4.47Å; V761-W780 HydrophobicContact CG2-CE3 4.42Å; L762-W780 HydrophobicContact CB-CH2 3.66Å; L762-W780 HydrophobicContact CB-CZ2 4.32Å; L762-W780 HydrophobicContact CB-CZ3 3.99Å; L762-W780 HydrophobicContact CD1-CH2 3.98Å; L762-W780 HydrophobicContact CD1-CZ2 3.82Å; L762-W780 HydrophobicContact CG-CH2 4.37Å; Y773-W780 HydrophobicContact CE2-CZ3 4.2Å; M776-W780 HydrophobicContact CB-CD2 4.37Å; M776-W780 HydrophobicContact CB-CE3 3.98Å; M776-W780 HydrophobicContact CB-CH2 3.67Å; M776-W780 HydrophobicContact CB-CZ2 4.08Å; M776-W780 HydrophobicContact CB-CZ3 3.63Å; M776-W780 HydrophobicContact CG-CH2 4.11Å; M776-W780 HydrophobicContact CG-CZ2 4.46Å; M776-W780 VanDerWaalsContact O-CD2 3.29Å; M776-W780 VanDerWaalsContact O-CG 3.3Å; M776-W780 PolarHBondContact O-N 3.48Å; M776-W780 HydrophobicContact SD-CH2 3.77Å; M776-W780 HydrophobicContact SD-CZ2 4.48Å; M776-W780 HydrophobicContact SD-CZ3 4.33Å; L777-W780 PolarHBondContact O-N 3.03Å; W780-R782 PolarHBondContact O-N 3.03Å
781	Q	97.7	Very high	95.3	Very high	81 Å²	81	56.5 Å²	56.5	38%	0.379	27%	0.269	S	S	.	.			trans	-64.8	133.9	169.2	-64.4	-59	-52.3	0	0	110.1	L777 C779 E783 M786 R787	L777-Q781 PolarHBondContact O-NE2 3.27Å; C779-Q781 VanDerWaalsContact C-N 3.33Å; C779-Q781 PolarHBondContact O-N 3.36Å; Q781-E783 PolarHBondContact O-N 2.75Å; Q781-M786 HydrophobicContact CB-CB 4.04Å; Q781-M786 HydrophobicContact CG-CB 4.44Å; Q781-M786 WeakPolarHBondContact CG-O 3.42Å; Q781-R787 HydrophobicContact CB-CG 3.87Å; Q781-R787 PolarHBondContact O-NE 2.88Å; Q781-R787 PolarHBondContact O-NH2 3.41Å
782	R	92.1	Very high	95.4	Very high	112 Å²	112	57 Å²	57	42%	0.423	27%	0.271	S	S	.	.	S	Bend	trans	-58.1	-51.5	-175.1	-174.3	-178.4	-173.8	85.8	1.5	111.1	T757 W780 R787	T757-R782 VanDerWaalsContact O-CZ 3.32Å; T757-R782 PolarHBondContact O-NH1 3.45Å; T757-R782 PolarHBondContact O-NH2 2.91Å; W780-R782 PolarHBondContact O-N 3.03Å; R782-R787 PolarHBondContact O-NH2 3.02Å; R782-R787 VanDerWaalsContact O-NH2 3.11Å
783	E	92.9	Very high	95.5	Very high	97 Å²	97	56.9 Å²	56.9	45%	0.453	27%	0.271	S	S	.	.	S	Bend	trans	-78.8	124.6	177.7	-61.7	-50.6	127.8	0	0	110.7	Q781 H785 M786	Q781-E783 PolarHBondContact O-N 2.75Å; E783-H785 VanDerWaalsContact C-N 3.27Å; E783-H785 PolarHBondContact O-N 2.75Å; E783-M786 HydrophobicContact CB-CB 4.39Å; E783-M786 HydrophobicContact CB-CG 4.02Å; E783-M786 PolarHBondContact O-N 3.12Å
784	P	94.1	Very high	95.5	Very high	31 Å²	31	56.9 Å²	56.9	20%	0.201	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-57.5	-36.8	-174.1	-27.8	34.9	0	0	0	114.4	E713 E723 M786 R787	E713-P784 HydrophobicContact CG-CG 4.01Å; E723-P784 HydrophobicContact CB-CB 3.79Å; E723-P784 HydrophobicContact CG-CB 4.31Å; P784-M786 PolarHBondContact O-N 3.32Å; P784-R787 WeakPolarHBondContact O-CB 3.48Å; P784-R787 PolarHBondContact O-N 3.01Å
785	H	93	Very high	95.4	Very high	143 Å²	143	54.9 Å²	54.9	66%	0.662	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-73.4	-6.9	-179.8	66.3	-94.1	0	0	0	114.3	E783	E783-H785 VanDerWaalsContact C-N 3.27Å; E783-H785 PolarHBondContact O-N 2.75Å
786	M	96	Very high	95.3	Very high	117 Å²	117	58.1 Å²	58.1	58%	0.576	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-98.3	-4.5	174.9	-65.1	-61.4	-61.4	0	0	112.7	Q781 E783 P784	Q781-M786 HydrophobicContact CB-CB 4.04Å; Q781-M786 HydrophobicContact CG-CB 4.44Å; Q781-M786 WeakPolarHBondContact CG-O 3.42Å; E783-M786 HydrophobicContact CB-CB 4.39Å; E783-M786 HydrophobicContact CB-CG 4.02Å; E783-M786 PolarHBondContact O-N 3.12Å; P784-M786 PolarHBondContact O-N 3.32Å
787	R	97.6	Very high	95.1	Very high	22 Å²	22	58.1 Å²	58.1	8%	0.083	28%	0.284	C	S	.	.	S	Bend	trans	-73.5	147.5	178.6	-61.7	175	-170.8	153	12.5	110.3	E713 E723 V726 G778 C779 Q781 R782 P784	E713-R787 IonicContact OE1-CZ 2.78Å; E713-R787 IonicContact OE1-NH1 2.8Å; E713-R787 PolarHBondContact OE1-NH1 3.48Å; E713-R787 IonicContact OE1-NH2 3.75Å; E713-R787 PolarHBondContact OE1-NH2 3.29Å; E713-R787 IonicContact OE2-CZ 2.76Å; E713-R787 IonicContact OE2-NH1 3.31Å; E713-R787 IonicContact OE2-NH2 3.52Å; E713-R787 PolarHBondContact OE2-NH2 2.95Å; E723-R787 VanDerWaalsContact O-CD 3.3Å; E723-R787 WeakPolarHBondContact O-CD 3.35Å; E723-R787 PolarHBondContact O-NH1 2.9Å; V726-R787 HydrophobicContact CG1-CB 4.03Å; G778-R787 WeakPolarHBondContact O-CA 3.33Å; C779-R787 VanDerWaalsContact O-CD 3.28Å; C779-R787 WeakPolarHBondContact O-CD 3.32Å; C779-R787 WeakPolarHBondContact O-CG 3.49Å; Q781-R787 HydrophobicContact CB-CG 3.87Å; Q781-R787 PolarHBondContact O-NE 2.88Å; Q781-R787 PolarHBondContact O-NH2 3.41Å; R782-R787 PolarHBondContact O-NH2 3.02Å; R782-R787 VanDerWaalsContact O-NH2 3.11Å; P784-R787 WeakPolarHBondContact O-CB 3.48Å; P784-R787 PolarHBondContact O-N 3.01Å
788	L	94.9	Very high	94.7	Very high	54 Å²	54	57.8 Å²	57.8	28%	0.283	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-57.5	145	176.1	-68.2	175.4	0	0	0	111.4	L775 G778 I793	L775-L788 HydrophobicContact CD2-CD1 3.94Å; G778-L788 PolarHBondContact O-N 2.91Å; L788-I793 HydrophobicContact CB-CD1 3.95Å; L788-I793 HydrophobicContact CB-CG1 3.73Å; L788-I793 HydrophobicContact CD1-CG1 4.24Å
789	N	92.4	Very high	94.4	Very high	80 Å²	80	61.9 Å²	61.9	43%	0.428	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-69.5	141.5	176.4	-166.9	-79.9	0	0	0	110.5	K791 E792 I793	N789-K791 PolarHBondContact O-N 3.29Å; N789-K791 VanDerWaalsContact O-N 3.1Å; N789-K791 WeakPolarHBondContact OD1-CB 3.43Å; N789-K791 PolarHBondContact OD1-N 3.44Å; N789-E792 HydrophobicContact CB-CB 4.32Å; N789-E792 HydrophobicContact CB-CG 3.89Å; N789-E792 VanDerWaalsContact CB-OE2 3.26Å; N789-E792 WeakPolarHBondContact CB-OE2 3.49Å; N789-E792 PolarHBondContact N-OE2 3.4Å; N789-E792 WeakPolarHBondContact O-CA 3.41Å; N789-E792 WeakPolarHBondContact O-CB 3.39Å; N789-E792 PolarHBondContact O-N 3.21Å; N789-I793 WeakPolarHBondContact O-CG1 3.34Å; N789-I793 PolarHBondContact O-N 3.45Å
790	I	93.7	Very high	93.9	Very high	16 Å²	16	64 Å²	64	8%	0.082	31%	0.313	C	S	.	.	H	α-helix	trans	-55.6	-32.2	179	-171	56.7	0	0	0	113.4	M654 V655 A658 V726 L729 H794	M654-I790 HydrophobicContact CB-CD1 3.7Å; M654-I790 HydrophobicContact CB-CG1 3.89Å; V655-I790 HydrophobicContact CG2-CG1 3.9Å; V655-I790 HydrophobicContact CG2-CG2 4.29Å; A658-I790 HydrophobicContact CB-CG2 3.99Å; V726-I790 HydrophobicContact CG2-CB 4.1Å; V726-I790 HydrophobicContact CG2-CD1 4.44Å; L729-I790 HydrophobicContact CD2-CD1 3.32Å; I790-H794 WeakPolarHBondContact O-CB 3.43Å; I790-H794 PolarHBondContact O-N 3.27Å
791	K	94.4	Very high	93.3	Very high	136 Å²	136	64.4 Å²	64.4	59%	0.591	32%	0.317	S	S	*	.	H	α-helix	trans	-71.8	-33.3	175.3	-63.4	178.2	179.1	179.9	0	112.9	V655 N789 G795	V655-K791 HydrophobicContact CG1-CG 3.96Å; V655-K791 HydrophobicContact CG2-CG 4.07Å; N789-K791 PolarHBondContact O-N 3.29Å; N789-K791 VanDerWaalsContact O-N 3.1Å; N789-K791 WeakPolarHBondContact OD1-CB 3.43Å; N789-K791 PolarHBondContact OD1-N 3.44Å; K791-G795 PolarHBondContact O-N 3.37Å
792	E	93.9	Very high	92.4	Very high	107 Å²	107	67.4 Å²	67.4	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-71.4	-44	175.5	-64.4	164.8	161.4	0	0	110.3	N789 H794 G795 L796	N789-E792 HydrophobicContact CB-CB 4.32Å; N789-E792 HydrophobicContact CB-CG 3.89Å; N789-E792 VanDerWaalsContact CB-OE2 3.26Å; N789-E792 WeakPolarHBondContact CB-OE2 3.49Å; N789-E792 PolarHBondContact N-OE2 3.4Å; N789-E792 WeakPolarHBondContact O-CA 3.41Å; N789-E792 WeakPolarHBondContact O-CB 3.39Å; N789-E792 PolarHBondContact O-N 3.21Å; E792-H794 PolarHBondContact O-N 2.62Å; E792-G795 PolarHBondContact O-N 3.27Å; E792-L796 WeakPolarHBondContact O-CB 3.46Å; E792-L796 VanDerWaalsContact O-CG 3.25Å; E792-L796 WeakPolarHBondContact O-CG 3.4Å; E792-L796 PolarHBondContact O-N 3.2Å
793	I	95.3	Very high	91.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58	-48.7	175.1	-62.5	164	0	0	0	110.2	V726 L729 L788 N789 L796 L797	V726-I793 HydrophobicContact CG1-CD1 3.78Å; V726-I793 HydrophobicContact CG2-CD1 4.4Å; L729-I793 HydrophobicContact CD2-CG2 4.05Å; L788-I793 HydrophobicContact CB-CD1 3.95Å; L788-I793 HydrophobicContact CB-CG1 3.73Å; L788-I793 HydrophobicContact CD1-CG1 4.24Å; N789-I793 WeakPolarHBondContact O-CG1 3.34Å; N789-I793 PolarHBondContact O-N 3.45Å; I793-L796 PolarHBondContact O-N 3.02Å; I793-L797 HydrophobicContact CG2-CD1 3.87Å; I793-L797 HydrophobicContact CG2-CG 4.46Å; I793-L797 WeakPolarHBondContact O-CB 3.35Å; I793-L797 WeakPolarHBondContact O-CG 3.5Å; I793-L797 PolarHBondContact O-N 2.73Å
794	H	96	Very high	89.8	Confident	38 Å²	38	62.5 Å²	62.5	18%	0.176	33%	0.328	C	S	.	.	H	α-helix	trans	-59.6	-46.6	175.8	175.2	-109.7	0	0	0	112.7	Q648 A651 S652 V655 I790 E792 L796 L797 L798	Q648-H794 PolarHBondContact NE2-NE2 3.08Å; Q648-H794 VanDerWaalsContact NE2-NE2 3.16Å; Q648-H794 PolarHBondContact O-CD2 2.89Å; A651-H794 HydrophobicContact CB-CB 4.07Å; S652-H794 WeakPolarHBondContact CB-NE2 3.33Å; S652-H794 PolarHBondContact N-CD2 3.34Å; S652-H794 PolarHBondContact OG-NE2 3.41Å; V655-H794 HydrophobicContact CG2-CB 3.83Å; I790-H794 WeakPolarHBondContact O-CB 3.43Å; I790-H794 PolarHBondContact O-N 3.27Å; E792-H794 PolarHBondContact O-N 2.62Å; H794-L796 VanDerWaalsContact C-N 3.35Å; H794-L796 PolarHBondContact O-N 2.71Å; H794-L797 PolarHBondContact O-N 3.06Å; H794-L798 VanDerWaalsContact O-CB 3.3Å; H794-L798 WeakPolarHBondContact O-CB 3.34Å; H794-L798 PolarHBondContact O-N 3.41Å
795	G	94	Very high	87.6	Confident	25 Å²	25	66.3 Å²	66.3	26%	0.258	35%	0.353	S	S	.	.	H	α-helix	trans	-61.9	-39.2	177.6	0	0	0	0	0	113.4	K791 E792 N799	K791-G795 PolarHBondContact O-N 3.37Å; E792-G795 PolarHBondContact O-N 3.27Å; G795-N799 WeakPolarHBondContact O-CB 3.44Å; G795-N799 PolarHBondContact O-N 3.48Å; G795-N799 PolarHBondContact O-ND2 2.95Å
796	L	93.6	Very high	85.1	Confident	78 Å²	78	64.6 Å²	64.6	41%	0.408	35%	0.352	S	S	.	.	H	α-helix	trans	-70.7	-42.5	177.5	-70	165.3	0	0	0	111.8	L775 E792 I793 H794 L798 N799 L800	L775-L796 HydrophobicContact CD1-CB 4.26Å; L775-L796 HydrophobicContact CD2-CB 3.86Å; L775-L796 HydrophobicContact CD2-CD1 3.57Å; L775-L796 HydrophobicContact CD2-CG 4.33Å; E792-L796 WeakPolarHBondContact O-CB 3.46Å; E792-L796 VanDerWaalsContact O-CG 3.25Å; E792-L796 WeakPolarHBondContact O-CG 3.4Å; E792-L796 PolarHBondContact O-N 3.2Å; I793-L796 PolarHBondContact O-N 3.02Å; H794-L796 VanDerWaalsContact C-N 3.35Å; H794-L796 PolarHBondContact O-N 2.71Å; L796-L798 PolarHBondContact O-N 3.31Å; L796-N799 PolarHBondContact O-N 3.16Å; L796-L800 WeakPolarHBondContact O-CG 3.3Å; L796-L800 PolarHBondContact O-N 2.96Å
797	L	93.4	Very high	82.4	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-62.7	-40.3	173	-71.1	169.1	0	0	0	112.1	L644 A647 Q648 A651 L733 L775 I793 H794 N799 L800 T801	L644-L797 HydrophobicContact CD2-CD2 4.37Å; A647-L797 HydrophobicContact CB-CD1 4.29Å; A647-L797 HydrophobicContact CB-CD2 4.14Å; Q648-L797 HydrophobicContact CB-CB 4.12Å; A651-L797 HydrophobicContact CB-CD1 3.74Å; L733-L797 HydrophobicContact CD2-CD1 4.18Å; L733-L797 HydrophobicContact CD2-CD2 4.33Å; L775-L797 HydrophobicContact CD1-CD2 3.8Å; L775-L797 HydrophobicContact CD1-CG 3.99Å; I793-L797 HydrophobicContact CG2-CD1 3.87Å; I793-L797 HydrophobicContact CG2-CG 4.46Å; I793-L797 WeakPolarHBondContact O-CB 3.35Å; I793-L797 WeakPolarHBondContact O-CG 3.5Å; I793-L797 PolarHBondContact O-N 2.73Å; H794-L797 PolarHBondContact O-N 3.06Å; L797-N799 VanDerWaalsContact C-N 3.34Å; L797-N799 PolarHBondContact O-N 3.11Å; L797-L800 PolarHBondContact O-N 3.49Å; L797-T801 WeakPolarHBondContact O-CB 3.48Å; L797-T801 PolarHBondContact O-N 2.75Å; L797-T801 PolarHBondContact O-OG1 2.82Å
798	L	90.6	Very high	79.8	Confident	52 Å²	52	74.8 Å²	74.8	27%	0.272	40%	0.396	S	S	.	.	H	α-helix	trans	-62.8	-39.8	175.2	-178.1	63.4	0	0	0	112	Q648 H794 L796 T801 K802	Q648-L798 HydrophobicContact CG-CB 4.17Å; Q648-L798 HydrophobicContact CG-CD1 4.24Å; H794-L798 VanDerWaalsContact O-CB 3.3Å; H794-L798 WeakPolarHBondContact O-CB 3.34Å; H794-L798 PolarHBondContact O-N 3.41Å; L796-L798 PolarHBondContact O-N 3.31Å; L798-T801 PolarHBondContact O-N 3.37Å; L798-K802 HydrophobicContact CG-CD 4.39Å; L798-K802 WeakPolarHBondContact O-CG 3.41Å; L798-K802 PolarHBondContact O-N 3.49Å
799	N	90.2	Very high	77.1	Confident	96 Å²	96	76.2 Å²	76.2	51%	0.513	41%	0.405	S	S	.	.	H	α-helix	trans	-68.6	-41.6	175.8	-71.3	-21.2	0	0	0	112.1	G795 L796 L797 T801 K802 A803	G795-N799 WeakPolarHBondContact O-CB 3.44Å; G795-N799 PolarHBondContact O-N 3.48Å; G795-N799 PolarHBondContact O-ND2 2.95Å; L796-N799 PolarHBondContact O-N 3.16Å; L797-N799 VanDerWaalsContact C-N 3.34Å; L797-N799 PolarHBondContact O-N 3.11Å; N799-T801 VanDerWaalsContact C-N 3.33Å; N799-T801 PolarHBondContact O-N 2.66Å; N799-K802 PolarHBondContact O-N 3.35Å; N799-A803 WeakPolarHBondContact O-CB 3.36Å; N799-A803 PolarHBondContact O-N 3.42Å
800	L	88.4	Confident	74.9	Confident	46 Å²	46	79.7 Å²	79.7	24%	0.241	42%	0.421	C	S	.	.	H	α-helix	trans	-62.7	-39.1	173.8	-70.6	170.8	0	0	0	112	L644 E771 V772 L775 L796 L797 A803 S804	L644-L800 HydrophobicContact CD1-CB 4.24Å; L644-L800 HydrophobicContact CD2-CB 4.01Å; L644-L800 HydrophobicContact CD2-CD1 4.39Å; E771-L800 HydrophobicContact CB-CD1 4.27Å; E771-L800 HydrophobicContact CB-CD2 3.95Å; E771-L800 HydrophobicContact CG-CD2 4.37Å; V772-L800 HydrophobicContact CG2-CD1 3.96Å; L775-L800 HydrophobicContact CD1-CD1 4.14Å; L796-L800 WeakPolarHBondContact O-CG 3.3Å; L796-L800 PolarHBondContact O-N 2.96Å; L797-L800 PolarHBondContact O-N 3.49Å; L800-A803 PolarHBondContact O-N 3.34Å; L800-S804 PolarHBondContact O-N 3.1Å; L800-S804 VanDerWaalsContact O-N 3.11Å
801	T	84.8	Confident	72.1	Confident	22 Å²	22	87 Å²	87	14%	0.135	46%	0.46	C	S	.	.	H	α-helix	trans	-63.9	-43.9	176.2	-52.1	0	0	0	0	111.1	H645 L797 L798 N799 A803 S804	H645-T801 HydrophobicContact CB-CG2 4.45Å; L797-T801 WeakPolarHBondContact O-CB 3.48Å; L797-T801 PolarHBondContact O-N 2.75Å; L797-T801 PolarHBondContact O-OG1 2.82Å; L798-T801 PolarHBondContact O-N 3.37Å; N799-T801 VanDerWaalsContact C-N 3.33Å; N799-T801 PolarHBondContact O-N 2.66Å; T801-A803 VanDerWaalsContact C-N 3.35Å; T801-A803 PolarHBondContact O-N 2.71Å; T801-S804 PolarHBondContact O-N 2.98Å
802	K	79.9	Confident	69.3	Low	144 Å²	144	87.7 Å²	87.7	63%	0.626	51%	0.505	S	S	*	.	H	α-helix	trans	-69.3	-27	176.2	-72.1	170.6	-179.9	174.6	0	114.2	L798 N799	L798-K802 HydrophobicContact CG-CD 4.39Å; L798-K802 WeakPolarHBondContact O-CG 3.41Å; L798-K802 PolarHBondContact O-N 3.49Å; N799-K802 PolarHBondContact O-N 3.35Å
803	A	69.4	Low	68.1	Low	84 Å²	84	86.7 Å²	86.7	69%	0.694	51%	0.505	S	S	*	.	H	α-helix	trans	-81.5	-19.6	176.9	0	0	0	0	0	112.9	N799 L800 T801	N799-A803 WeakPolarHBondContact O-CB 3.36Å; N799-A803 PolarHBondContact O-N 3.42Å; L800-A803 PolarHBondContact O-N 3.34Å; T801-A803 VanDerWaalsContact C-N 3.35Å; T801-A803 PolarHBondContact O-N 2.71Å
804	S	61.2	Low	66.6	Low	22 Å²	22	91.3 Å²	91.3	15%	0.154	53%	0.532	C	S	.	.	S	Bend	trans	-72.1	131	167	-163	0	0	0	0	109.3	S641 L800 T801 V806	S641-S804 WeakPolarHBondContact CB-OG 3.18Å; L800-S804 PolarHBondContact O-N 3.1Å; L800-S804 VanDerWaalsContact O-N 3.11Å; T801-S804 PolarHBondContact O-N 2.98Å; S804-V806 PolarHBondContact O-N 3.03Å
805	P	47.3	Very low	65	Low	111 Å²	111	94.2 Å²	94.2	72%	0.721	55%	0.552	S	S	*	*			trans	-61.7	125.7	177.6	25	-33	0	0	0	110	Y807	P805-Y807 PolarHBondContact O-N 3Å
806	V	40.4	Very low	63.3	Low	107 Å²	107	98.3 Å²	98.3	65%	0.648	57%	0.569	S	S	*	*			trans	-72.3	97.2	179.7	178.8	0	0	0	0	109	S804 L808	S804-V806 PolarHBondContact O-N 3.03Å; V806-L808 HydrophobicContact CG1-CB 4.29Å; V806-L808 HydrophobicContact CG1-CD1 3.96Å; V806-L808 HydrophobicContact CG1-CG 3.79Å; V806-L808 PolarHBondContact O-N 2.67Å
807	Y	39.1	Very low	61.4	Low	191 Å²	191	99.6 Å²	99.6	75%	0.749	58%	0.579	S	S	*	*			trans	-80	76.7	171.2	-153	-97	0	0	0	109.4	P805 D809	P805-Y807 PolarHBondContact O-N 3Å; Y807-D809 VanDerWaalsContact C-N 3.35Å; Y807-D809 HydrophobicContact CD1-CB 3.56Å; Y807-D809 HydrophobicContact CE1-CB 3.2Å; Y807-D809 WeakPolarHBondContact CE1-OD2 3.15Å; Y807-D809 PolarHBondContact O-N 3.23Å; Y807-D809 VanDerWaalsContact O-N 3.1Å; Y807-D809 PolarHBondContact OH-OD2 3.01Å
808	L	43.5	Very low	59.3	Low	161 Å²	161	106.2 Å²	106.2	84%	0.843	62%	0.617	S	S	*	*			trans	-74.1	87.6	170.7	-101.6	167.1	0	0	0	108.7	V806	V806-L808 HydrophobicContact CG1-CB 4.29Å; V806-L808 HydrophobicContact CG1-CD1 3.96Å; V806-L808 HydrophobicContact CG1-CG 3.79Å; V806-L808 PolarHBondContact O-N 2.67Å
809	D	38.3	Very low	57	Low	85 Å²	85	110.1 Å²	110.1	46%	0.455	64%	0.642	S	S	.	*			trans	-143.1	97.1	179.6	-140.4	2.9	0	0	0	111.5	Y807	Y807-D809 VanDerWaalsContact C-N 3.35Å; Y807-D809 HydrophobicContact CD1-CB 3.56Å; Y807-D809 HydrophobicContact CE1-CB 3.2Å; Y807-D809 WeakPolarHBondContact CE1-OD2 3.15Å; Y807-D809 PolarHBondContact O-N 3.23Å; Y807-D809 VanDerWaalsContact O-N 3.1Å; Y807-D809 PolarHBondContact OH-OD2 3.01Å
810	I	45.6	Very low	54.5	Low	153 Å²	153	111.2 Å²	111.2	79%	0.785	65%	0.652	S	S	*	*			trans	35.4	88.1	138.2	-46.2	175.6	0	0	0	116.5
811	L	34.3	Very low	51.7	Low	170 Å²	170	116.6 Å²	116.6	89%	0.89	69%	0.686	S	S	*	*			trans	-135.3	135.9	142.3	-64.9	173.6	0	0	0	106.6
812	G	36.3	Very low	48.7	Very low	149 Å²	149	125.2 Å²	125.2	100%	1.536	74%	0.736	S	S	*	*			cis	154.2	0	4.1	0	0	0	0	0	109.2

Retrieved 812 of 812 residues in 844 ms (Link to these results)

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