A0A096LYN8_POEFO Loading...

Phospholipase A2 receptor 1

AlphaFold DB , UniProt , Accession A0A096LYN8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 815 aa.

						>A0A096LYN8_POEFO|A0A096LYN8
MPCGVYNSAYGAHWQSLSCESALPYICKKTPNNTSTVEPLENWQYIPTECADGWWPHNGFCYHVLAEKESGSWKESSRACGSLGAKLISLCSLSEVEMLLNLLANHSGGVTEVWIGLWKPGSSPGVEWSDGSPVTLTLWDQYQPVPNLTDSSLCVKMETEKGNWLLAPCDEQHPAVCRRESQSPVQHRGTWDEGCPAGWKRRGHSCYTVTSHEQTFEDAALGYYCMASLLTVENRFEQAFVNSLLSANGTNSSMNYWIGLKDQEKKGEYRWLPHNGSSLPLTFSNWNKHQPVSAGGCVVMSGGPALGHWEVKDCKSHKALSVCKMSSGHSDAGLPERHIDAYAPCPPGWESHSGLLHCFKVFHDEKVLMKRSWVEADFFCQALGAQLASFQHYEEQVFVKHLLSTMFEGTEGRWFWVGLNKRDPDHPGAWEWSDGSPIVTSFIEDKNEEDDRRDCAVYSDLTDNMMPRPCDTKHEWICKLSRGDKLKKPYWYTEQSQAWVFYRGAEYLLANQPYNWHAVSLACQMMGAHLLSIHSREESQFIKERLRQFSLGHTDWWIGLSFGPPGEEVRWSDKTEIDFQNWADGGLNSDLKKSGTCLSMSSTGKWSVKKCSELHGYVCKRRTVSVVETPQEPHYIGACPEKWLYFGHKCLLLHLPGSPNEGKSWKDAQSICSLFQGSLVAIEDEIEQAYITMLLQGSSVGVWIGLRDEDTMKWTNGKPVSYTNWSPVEPKSYLTQDDWLSGAADEPLCTVLSNNHNFHLTGKWYDEKCSESGYGFVCQKPQDTSKPPTHSYHHPLPDNIEYRSSTYKVVSGNMS
					

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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	47.8	Very low	65.6	Low	80 Å²	80	80.6 Å²	80.6	39%	0.394	49%	0.485	S	S	.	.				0	143.3	0	-85.8	-84.4	-97.6	0	0	107.7	C3 C19 Y142 V374 R422	M1-C3 PolarHBondContact O-N 2.79Å; M1-C19 PolarHBondContact O-N 3.02Å; M1-C19 PolarHBondContact O-SG 2.97Å; M1-Y142 HydrophobicContact SD-CD1 3.93Å; M1-Y142 HydrophobicContact SD-CE1 3.23Å; M1-Y142 WeakPolarHBondContact SD-CE1 3.27Å; M1-V374 HydrophobicContact CG-CG2 4.27Å; M1-V374 VanDerWaalsContact N-CG2 3.34Å; M1-R422 VanDerWaalsContact CB-NH2 3.32Å
2	P	62.3	Low	65	Low	62 Å²	62	78.2 Å²	78.2	40%	0.403	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	116.7	168.5	28.9	-31.1	0	0	0	110.3	S16 L17 Y142	P2-S16 WeakPolarHBondContact CB-OG 3.46Å; P2-L17 CarbonylContact C-O 3.57Å; P2-L17 WeakPolarHBondContact CA-O 3.05Å; P2-Y142 HydrophobicContact CG-CD1 4.49Å
3	C	71.8	Confident	65.2	Low	50 Å²	50	81.8 Å²	81.8	34%	0.338	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	145	164.8	-85.4	0	0	0	0	110	M1 V5 L17 C19	M1-C3 PolarHBondContact O-N 2.79Å; C3-V5 PolarHBondContact O-N 3.09Å; C3-L17 PolarHBondContact N-O 3.26Å; C3-L17 PolarHBondContact O-N 2.95Å; C3-C19 VanDerWaalsContact CA-SG 3.57Å; C3-C19 HydrophobicContact CB-CB 3.85Å; C3-C19 WeakPolarHBondContact CB-SG 3.29Å; C3-C19 PolarHBondContact N-SG 2.58Å; C3-C19 VanDerWaalsContact N-SG 3.36Å; C3-C19 WeakPolarHBondContact SG-CA 3.49Å; C3-C19 WeakPolarHBondContact SG-CB 3.4Å; C3-C19 CovalentContact SG-SG 2.01Å; C3-C19 PolarHBondContact SG-SG 3.3Å
4	G	74.1	Confident	65.7	Low	58 Å²	58	88.7 Å²	88.7	60%	0.598	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	118.7	172.4	0	0	0	0	0	110.5
5	V	74.9	Confident	66.1	Low	26 Å²	26	87.9 Å²	87.9	16%	0.158	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.4	176.3	176.5	0	0	0	0	108.7	C3 Q15 L17 L23	C3-V5 PolarHBondContact O-N 3.09Å; V5-Q15 HydrophobicContact CB-CG 4.05Å; V5-Q15 HydrophobicContact CG1-CG 4.44Å; V5-Q15 PolarHBondContact N-O 2.65Å; V5-Q15 WeakPolarHBondContact O-CG 3.46Å; V5-Q15 PolarHBondContact O-N 2.73Å; V5-L17 HydrophobicContact CB-CD1 4.13Å; V5-L17 HydrophobicContact CG1-CD1 4.15Å; V5-L17 HydrophobicContact CG2-CB 3.89Å; V5-L17 HydrophobicContact CG2-CD1 4.04Å; V5-L17 HydrophobicContact CG2-CG 4.34Å; V5-L23 HydrophobicContact CB-CD1 4.15Å; V5-L23 HydrophobicContact CG1-CD1 3.63Å; V5-L23 HydrophobicContact CG2-CD1 3.39Å
6	Y	77.5	Confident	66.3	Low	125 Å²	125	85.4 Å²	85.4	49%	0.49	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	118.7	176.6	-178.3	-101	0	0	0	110.3	A12 W14	Y6-A12 HydrophobicContact CE2-CB 4.15Å; Y6-A12 WeakPolarHBondContact OH-CB 3.41Å; Y6-W14 HydrophobicContact CD2-CD2 4.32Å; Y6-W14 HydrophobicContact CD2-CZ2 4.37Å
7	N	73.8	Confident	66.4	Low	56 Å²	56	84.1 Å²	84.1	30%	0.299	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	114.1	179	-170.9	-16	0	0	0	111	A9 A12 H13	N7-A9 WeakPolarHBondContact OD1-CB 3.38Å; N7-A9 PolarHBondContact OD1-N 3.27Å; N7-A12 WeakPolarHBondContact O-CA 3.37Å; N7-H13 PolarHBondContact N-O 3.45Å; N7-H13 PolarHBondContact O-N 3.5Å
8	S	73.4	Confident	66.5	Low	102 Å²	102	82.2 Å²	82.2	71%	0.713	47%	0.466	S	S	*	.			trans	-79.9	-18	179.5	57.3	0	0	0	0	114.1	Y10	S8-Y10 PolarHBondContact O-N 3.22Å
9	A	60.3	Low	66.6	Low	65 Å²	65	80.8 Å²	80.8	54%	0.537	46%	0.462	S	S	.	.	S	Bend	trans	-80.2	-18.5	-164.4	0	0	0	0	0	114.8	N7	N7-A9 WeakPolarHBondContact OD1-CB 3.38Å; N7-A9 PolarHBondContact OD1-N 3.27Å
10	Y	49.3	Very low	66.5	Low	204 Å²	204	82 Å²	82	80%	0.8	46%	0.463	S	S	*	.	S	Bend	trans	-149.7	93.7	177.6	-73.7	-87.5	0	0	0	110.4	S8 A12 H13	S8-Y10 PolarHBondContact O-N 3.22Å; Y10-A12 PolarHBondContact O-N 2.96Å; Y10-H13 PolarHBondContact O-ND1 3.11Å
11	G	56.4	Low	66.6	Low	59 Å²	59	80.3 Å²	80.3	61%	0.608	46%	0.457	S	S	*	.	S	Bend	trans	78.4	11.1	169	0	0	0	0	0	117.3	H13	G11-H13 VanDerWaalsContact C-ND1 3.28Å; G11-H13 PolarHBondContact O-CE1 3.49Å; G11-H13 PolarHBondContact O-ND1 3.39Å; G11-H13 VanDerWaalsContact O-ND1 3.12Å
12	A	58.3	Low	67.9	Low	51 Å²	51	80.9 Å²	80.9	42%	0.421	47%	0.474	S	S	.	.	S	Bend	trans	58.7	52.1	173.5	0	0	0	0	0	114.3	Y6 N7 Y10	Y6-A12 HydrophobicContact CE2-CB 4.15Å; Y6-A12 WeakPolarHBondContact OH-CB 3.41Å; N7-A12 WeakPolarHBondContact O-CA 3.37Å; Y10-A12 PolarHBondContact O-N 2.96Å
13	H	68	Low	68.7	Low	126 Å²	126	81.4 Å²	81.4	58%	0.583	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.4	146.3	-177.3	-63.1	89.3	0	0	0	112.4	N7 Y10 G11	N7-H13 PolarHBondContact N-O 3.45Å; N7-H13 PolarHBondContact O-N 3.5Å; Y10-H13 PolarHBondContact O-ND1 3.11Å; G11-H13 VanDerWaalsContact C-ND1 3.28Å; G11-H13 PolarHBondContact O-CE1 3.49Å; G11-H13 PolarHBondContact O-ND1 3.39Å; G11-H13 VanDerWaalsContact O-ND1 3.12Å
14	W	72.6	Confident	69	Low	178 Å²	178	85.2 Å²	85.2	67%	0.674	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	133.3	166.5	-70.8	92.5	0	0	0	109.4	Y6	Y6-W14 HydrophobicContact CD2-CD2 4.32Å; Y6-W14 HydrophobicContact CD2-CZ2 4.37Å
15	Q	71	Confident	69.4	Low	77 Å²	77	92 Å²	92	36%	0.36	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	155	174.6	62.1	-177.2	1.4	0	0	109.9	V5 L17	V5-Q15 HydrophobicContact CB-CG 4.05Å; V5-Q15 HydrophobicContact CG1-CG 4.44Å; V5-Q15 PolarHBondContact N-O 2.65Å; V5-Q15 WeakPolarHBondContact O-CG 3.46Å; V5-Q15 PolarHBondContact O-N 2.73Å; Q15-L17 HydrophobicContact CG-CD1 4.42Å; Q15-L17 HydrophobicContact CG-CG 4.34Å
16	S	69	Low	69.8	Low	48 Å²	48	99 Å²	99	34%	0.336	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.8	172.4	163.4	0	0	0	0	109.6	P2	P2-S16 WeakPolarHBondContact CB-OG 3.46Å
17	L	68.1	Low	70	Confident	63 Å²	63	98.1 Å²	98.1	33%	0.33	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.2	166.4	171.5	-72.5	175.7	0	0	0	109.8	P2 C3 V5 Q15 C19 L23	P2-L17 CarbonylContact C-O 3.57Å; P2-L17 WeakPolarHBondContact CA-O 3.05Å; C3-L17 PolarHBondContact N-O 3.26Å; C3-L17 PolarHBondContact O-N 2.95Å; V5-L17 HydrophobicContact CB-CD1 4.13Å; V5-L17 HydrophobicContact CG1-CD1 4.15Å; V5-L17 HydrophobicContact CG2-CB 3.89Å; V5-L17 HydrophobicContact CG2-CD1 4.04Å; V5-L17 HydrophobicContact CG2-CG 4.34Å; Q15-L17 HydrophobicContact CG-CD1 4.42Å; Q15-L17 HydrophobicContact CG-CG 4.34Å; L17-C19 PolarHBondContact O-N 3.06Å; L17-L23 HydrophobicContact CD1-CD1 4.21Å
18	S	68.4	Low	70.4	Confident	50 Å²	50	104.3 Å²	104.3	35%	0.35	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-59.3	130.8	171.8	-177.5	0	0	0	0	109.7	E20 S21	S18-E20 PolarHBondContact O-N 3.27Å; S18-E20 PolarHBondContact OG-N 3.4Å; S18-S21 VanDerWaalsContact O-CB 3.27Å; S18-S21 WeakPolarHBondContact O-CB 3.34Å; S18-S21 PolarHBondContact O-N 3.23Å; S18-S21 PolarHBondContact O-OG 3.17Å
19	C	67.6	Low	70.6	Confident	56 Å²	56	108.6 Å²	108.6	38%	0.378	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.7	-19.4	172	-63	0	0	0	0	113.8	M1 C3 L17 S21	M1-C19 PolarHBondContact O-N 3.02Å; M1-C19 PolarHBondContact O-SG 2.97Å; C3-C19 VanDerWaalsContact CA-SG 3.57Å; C3-C19 HydrophobicContact CB-CB 3.85Å; C3-C19 WeakPolarHBondContact CB-SG 3.29Å; C3-C19 PolarHBondContact N-SG 2.58Å; C3-C19 VanDerWaalsContact N-SG 3.36Å; C3-C19 WeakPolarHBondContact SG-CA 3.49Å; C3-C19 WeakPolarHBondContact SG-CB 3.4Å; C3-C19 CovalentContact SG-SG 2.01Å; C3-C19 PolarHBondContact SG-SG 3.3Å; L17-C19 PolarHBondContact O-N 3.06Å; C19-S21 VanDerWaalsContact C-N 3.31Å
20	E	66.1	Low	71.1	Confident	103 Å²	103	109.2 Å²	109.2	48%	0.481	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.8	-4.8	-179.6	-64.9	150.8	-162.9	0	0	112.5	S18 A22 D471	S18-E20 PolarHBondContact O-N 3.27Å; S18-E20 PolarHBondContact OG-N 3.4Å; E20-A22 PolarHBondContact O-N 3.37Å; E20-D471 WeakPolarHBondContact OE2-CB 3.34Å
21	S	68	Low	71.7	Confident	48 Å²	48	104.9 Å²	104.9	34%	0.336	58%	0.576	S	S	.	*	S	Bend	trans	-66.3	122.9	175.9	-48.5	0	0	0	0	109.3	S18 C19 L23	S18-S21 VanDerWaalsContact O-CB 3.27Å; S18-S21 WeakPolarHBondContact O-CB 3.34Å; S18-S21 PolarHBondContact O-N 3.23Å; S18-S21 PolarHBondContact O-OG 3.17Å; C19-S21 VanDerWaalsContact C-N 3.31Å; S21-L23 PolarHBondContact O-N 3.42Å
22	A	75.4	Confident	71.4	Confident	92 Å²	92	109.3 Å²	109.3	76%	0.76	59%	0.586	S	S	*	*			trans	-68.8	99.9	176.5	0	0	0	0	0	110.1	E20	E20-A22 PolarHBondContact O-N 3.37Å
23	L	78	Confident	71.1	Confident	73 Å²	73	111.9 Å²	111.9	38%	0.382	59%	0.592	S	S	.	*			trans	-126.1	149.6	-177.1	-65.2	172.2	0	0	0	110.9	V5 L17 S21	V5-L23 HydrophobicContact CB-CD1 4.15Å; V5-L23 HydrophobicContact CG1-CD1 3.63Å; V5-L23 HydrophobicContact CG2-CD1 3.39Å; L17-L23 HydrophobicContact CD1-CD1 4.21Å; S21-L23 PolarHBondContact O-N 3.42Å
24	P	79.8	Confident	70.2	Confident	130 Å²	130	112 Å²	112	84%	0.844	60%	0.602	S	S	*	*			trans	-66.4	148	172	28.7	-33.9	0	0	0	111
25	Y	82.4	Confident	69.3	Low	199 Å²	199	107.6 Å²	107.6	78%	0.78	60%	0.598	S	S	*	*			trans	-126.5	157.8	-179.1	63.3	-90.6	0	0	0	112.1
26	I	82.5	Confident	68.7	Low	174 Å²	174	110.2 Å²	110.2	89%	0.892	62%	0.62	S	S	*	*			trans	-125	129.1	178.5	-57.4	172.6	0	0	0	108.4
27	C	82.3	Confident	68.5	Low	106 Å²	106	109.7 Å²	109.7	72%	0.716	62%	0.615	S	S	*	*			trans	-97.1	137	179.4	-61.5	0	0	0	0	111.7
28	K	80.5	Confident	68.8	Low	187 Å²	187	108.6 Å²	108.6	81%	0.813	61%	0.607	S	S	*	*			trans	-112.7	124.7	168.4	-179.7	-175.6	176.8	-173.9	0	109.1
29	K	79.1	Confident	69.4	Low	192 Å²	192	109.5 Å²	109.5	84%	0.835	61%	0.612	S	S	*	*			trans	-107.9	120.7	172.9	-174.5	175.5	-178.9	175.5	0	109.7	P31	K29-P31 WeakPolarHBondContact O-CD 3.16Å
30	T	70.8	Confident	70	Confident	78 Å²	78	108 Å²	108	48%	0.479	60%	0.6	S	S	.	*			trans	-96.2	105.3	172	32.6	0	0	0	0	109.6
31	P	60.3	Low	70.7	Confident	113 Å²	113	109 Å²	109	73%	0.734	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	137.9	174.5	26	-30.7	0	0	0	110.4	K29	K29-P31 WeakPolarHBondContact O-CD 3.16Å
32	N	51.6	Low	71.2	Confident	152 Å²	152	109.7 Å²	109.7	81%	0.813	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.6	41.7	-177	-69	-6.7	0	0	0	116.1	T34	N32-T34 PolarHBondContact O-N 3.03Å
33	N	50.6	Low	71.4	Confident	104 Å²	104	106.2 Å²	106.2	56%	0.556	57%	0.572	S	S	*	*			trans	-74.1	91.8	166.4	-164.4	10	0	0	0	110.1
34	T	50.1	Low	71.2	Confident	130 Å²	130	105.4 Å²	105.4	80%	0.798	57%	0.567	S	S	*	*			trans	-92.9	4.3	-178.1	52.9	0	0	0	0	113.7	N32	N32-T34 PolarHBondContact O-N 3.03Å
35	S	53.4	Low	70.6	Confident	84 Å²	84	104.8 Å²	104.8	59%	0.587	55%	0.548	S	S	*	.			trans	-134.7	84.7	-168.2	26.4	0	0	0	0	112
36	T	57.7	Low	70.1	Confident	133 Å²	133	98.5 Å²	98.5	82%	0.816	53%	0.527	S	S	*	.	S	Bend	trans	-96.9	-10.7	159.8	50.5	0	0	0	0	112.1
37	V	65.4	Low	69.5	Low	37 Å²	37	94.1 Å²	94.1	22%	0.224	51%	0.51	C	S	.	.	S	Bend	trans	-111	136.4	-174.7	-170.9	0	0	0	0	109	N242 L306	V37-N242 HydrophobicContact CG1-CB 4.12Å; V37-L306 HydrophobicContact CG1-CD2 4.4Å; V37-L306 HydrophobicContact CG2-CD2 3.67Å
38	E	74.8	Confident	69.2	Low	39 Å²	39	89.7 Å²	89.7	18%	0.182	48%	0.48	C	S	.	.			trans	-62.5	141.2	174.6	-68.8	-165.1	144.1	0	0	111.2	W43 S92 L93 S243	E38-W43 WeakPolarHBondContact OE2-CZ2 3.17Å; E38-W43 PolarHBondContact OE2-NE1 2.91Å; E38-S92 WeakPolarHBondContact OE1-CA 3.41Å; E38-L93 WeakPolarHBondContact OE1-CG 3.45Å; E38-L93 PolarHBondContact OE1-N 3.17Å; E38-L93 WeakPolarHBondContact OE2-CB 3.38Å; E38-S243 WeakPolarHBondContact O-CB 3.37Å; E38-S243 PolarHBondContact O-OG 3Å
39	P	81	Confident	69.3	Low	69 Å²	69	87.9 Å²	87.9	45%	0.448	47%	0.474	S	S	.	.			trans	-59.3	139.8	172.7	-22.7	32.5	0	0	0	111.5	E41 N42	P39-E41 VanDerWaalsContact CB-OE2 3.23Å; P39-E41 WeakPolarHBondContact CB-OE2 3.46Å; P39-E41 PolarHBondContact O-N 3.3Å; P39-E41 VanDerWaalsContact O-N 3.13Å; P39-N42 WeakPolarHBondContact O-CB 3.37Å; P39-N42 PolarHBondContact O-N 3.47Å
40	L	80.6	Confident	69.6	Low	25 Å²	25	80.5 Å²	80.5	13%	0.131	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-60.5	-26	178.1	-174	64.9	0	0	0	111.6	N42 W43 F240 A247	L40-N42 VanDerWaalsContact C-N 3.26Å; L40-N42 PolarHBondContact O-N 3.01Å; L40-W43 PolarHBondContact O-N 3.2Å; L40-W43 VanDerWaalsContact O-N 3.12Å; L40-F240 HydrophobicContact CD1-CD2 4.23Å; L40-F240 HydrophobicContact CD1-CE2 3.89Å; L40-A247 HydrophobicContact CB-CB 4.38Å; L40-A247 HydrophobicContact CD2-CB 3.81Å
41	E	79.8	Confident	70.2	Confident	123 Å²	123	79.4 Å²	79.4	58%	0.575	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-57.3	-35	174.8	-66	76.4	-167	0	0	113.2	P39 W43 Q44	P39-E41 VanDerWaalsContact CB-OE2 3.23Å; P39-E41 WeakPolarHBondContact CB-OE2 3.46Å; P39-E41 PolarHBondContact O-N 3.3Å; P39-E41 VanDerWaalsContact O-N 3.13Å; E41-W43 PolarHBondContact O-N 2.92Å; E41-Q44 WeakPolarHBondContact O-CB 3.5Å; E41-Q44 PolarHBondContact O-N 3.16Å; E41-Q44 VanDerWaalsContact O-N 3.14Å
42	N	79.8	Confident	71.2	Confident	63 Å²	63	82.1 Å²	82.1	34%	0.337	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-67.4	-21.2	179.4	-70.3	-7.8	0	0	0	112.6	P39 L40 S94	P39-N42 WeakPolarHBondContact O-CB 3.37Å; P39-N42 PolarHBondContact O-N 3.47Å; L40-N42 VanDerWaalsContact C-N 3.26Å; L40-N42 PolarHBondContact O-N 3.01Å; N42-S94 VanDerWaalsContact O-CB 3.25Å; N42-S94 WeakPolarHBondContact O-CB 3.2Å; N42-S94 PolarHBondContact O-OG 3.19Å
43	W	78.5	Confident	72.5	Confident	19 Å²	19	77.5 Å²	77.5	7%	0.072	44%	0.442	C	S	.	.	G	3₁₀ helix	trans	-93.8	-5	178.5	-63.8	92.9	0	0	0	113.1	E38 L40 E41 L93 E97 F236 A239 F240 S243	E38-W43 WeakPolarHBondContact OE2-CZ2 3.17Å; E38-W43 PolarHBondContact OE2-NE1 2.91Å; L40-W43 PolarHBondContact O-N 3.2Å; L40-W43 VanDerWaalsContact O-N 3.12Å; E41-W43 PolarHBondContact O-N 2.92Å; W43-L93 HydrophobicContact CH2-CB 4.21Å; W43-L93 HydrophobicContact CZ2-CB 4.05Å; W43-E97 WeakPolarHBondContact CZ3-OE2 3.42Å; W43-F236 HydrophobicContact CH2-CB 4.01Å; W43-F236 VanDerWaalsContact CH2-O 3.26Å; W43-F236 WeakPolarHBondContact CH2-O 3.31Å; W43-F236 HydrophobicContact CZ3-CB 4.28Å; W43-A239 HydrophobicContact CH2-CB 4.05Å; W43-A239 HydrophobicContact CZ2-CB 3.55Å; W43-F240 HydrophobicContact CB-CD2 3.66Å; W43-F240 HydrophobicContact CB-CE2 4.15Å; W43-F240 HydrophobicContact CD2-CB 3.91Å; W43-F240 HydrophobicContact CD2-CD2 4.1Å; W43-F240 HydrophobicContact CE3-CB 3.9Å; W43-F240 HydrophobicContact CE3-CD2 4.34Å; W43-F240 HydrophobicContact CG-CB 4.42Å; W43-F240 AromaticContact CG-CD2 3.82Å; W43-F240 HydrophobicContact CG-CD2 3.82Å; W43-F240 HydrophobicContact CZ3-CB 4.23Å; W43-S243 PolarHBondContact NE1-OG 3.06Å
44	Q	73.6	Confident	74.2	Confident	57 Å²	57	73.9 Å²	73.9	27%	0.266	42%	0.42	S	S	.	.			trans	-72.6	133.4	-178.8	-67.9	175.3	9.8	0	0	110.7	E41 I46 N58	E41-Q44 WeakPolarHBondContact O-CB 3.5Å; E41-Q44 PolarHBondContact O-N 3.16Å; E41-Q44 VanDerWaalsContact O-N 3.14Å; Q44-I46 PolarHBondContact O-N 3.41Å; Q44-N58 VanDerWaalsContact O-CG 3.31Å; Q44-N58 PolarHBondContact O-ND2 3.44Å; Q44-N58 PolarHBondContact O-OD1 2.89Å; Q44-N58 VanDerWaalsContact O-OD1 3.08Å
45	Y	68.3	Low	75.8	Confident	117 Å²	117	73 Å²	73	46%	0.459	40%	0.402	S	S	.	.			trans	-79.1	115.1	174	-179.9	-104.4	0	0	0	110.2	P47 N58	Y45-P47 HydrophobicContact CD1-CG 4.27Å; Y45-P47 HydrophobicContact CE1-CB 4.27Å; Y45-P47 HydrophobicContact CE1-CG 4.03Å; Y45-P47 WeakPolarHBondContact O-CD 3.39Å; Y45-N58 WeakPolarHBondContact CA-OD1 3.36Å
46	I	71.4	Confident	77.2	Confident	67 Å²	67	71.7 Å²	71.7	34%	0.344	39%	0.392	S	S	.	.			trans	-96.8	113.1	170.6	-53.2	174.5	0	0	0	107.6	Q44 T48 N58 W191	Q44-I46 PolarHBondContact O-N 3.41Å; I46-T48 PolarHBondContact O-N 3.26Å; I46-T48 VanDerWaalsContact O-N 3.11Å; I46-T48 PolarHBondContact O-OG1 3.23Å; I46-N58 PolarHBondContact N-OD1 2.99Å; I46-W191 HydrophobicContact CG1-CZ3 4.17Å
47	P	70.1	Confident	78.2	Confident	81 Å²	81	67.2 Å²	67.2	53%	0.526	36%	0.361	S	S	.	.			trans	-53.6	121.9	173.6	-24.2	33.4	0	0	0	109.7	Y45	Y45-P47 HydrophobicContact CD1-CG 4.27Å; Y45-P47 HydrophobicContact CE1-CB 4.27Å; Y45-P47 HydrophobicContact CE1-CG 4.03Å; Y45-P47 WeakPolarHBondContact O-CD 3.39Å
48	T	76.4	Confident	78.7	Confident	14 Å²	14	66.7 Å²	66.7	9%	0.086	36%	0.357	C	S	.	.			trans	-126.5	130.7	-172.7	-54.5	0	0	0	0	108.5	I46 P56 G59	I46-T48 PolarHBondContact O-N 3.26Å; I46-T48 VanDerWaalsContact O-N 3.11Å; I46-T48 PolarHBondContact O-OG1 3.23Å; T48-P56 HydrophobicContact CG2-CB 4.01Å; T48-P56 WeakPolarHBondContact O-CB 3.47Å; T48-G59 WeakPolarHBondContact OG1-CA 3.4Å; T48-G59 PolarHBondContact OG1-N 3.19Å
49	E	82.1	Confident	78.9	Confident	149 Å²	149	65.8 Å²	65.8	70%	0.696	36%	0.359	S	S	*	.			trans	-103.1	134.5	171.4	-67.7	-175.3	174	0	0	109	S181	E49-S181 PolarHBondContact O-OG 3.06Å
50	C	84.8	Confident	79.2	Confident	36 Å²	36	64.9 Å²	64.9	24%	0.243	35%	0.348	C	S	.	.			trans	-134.1	157.1	-178.7	-65.8	0	0	0	0	109.8	W54 P56 C61	C50-W54 HydrophobicContact CB-CB 3.76Å; C50-P56 HydrophobicContact CB-CB 4.3Å; C50-P56 VanDerWaalsContact SG-CA 3.52Å; C50-C61 HydrophobicContact CB-CB 3.9Å; C50-C61 WeakPolarHBondContact CB-SG 3.32Å; C50-C61 WeakPolarHBondContact SG-CA 3.35Å; C50-C61 WeakPolarHBondContact SG-CB 3.09Å; C50-C61 CovalentContact SG-SG 2.03Å; C50-C61 PolarHBondContact SG-SG 2.85Å
51	A	84.4	Confident	79.6	Confident	55 Å²	55	63.9 Å²	63.9	46%	0.455	34%	0.342	S	S	.	.			trans	-64.5	156.7	174.5	0	0	0	0	0	111.8	G53 W54	A51-G53 PolarHBondContact O-N 3.32Å; A51-W54 WeakPolarHBondContact O-CB 3.46Å; A51-W54 PolarHBondContact O-N 3.44Å
52	D	80.3	Confident	80.1	Confident	171 Å²	171	58 Å²	58	91%	0.914	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	132.7	177.8	-65.9	-35.4	0	0	0	111.9	W54	D52-W54 VanDerWaalsContact C-N 3.34Å
53	G	79.7	Confident	80.5	Confident	54 Å²	54	57.1 Å²	57.1	56%	0.557	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	-8.9	-175.6	0	0	0	0	0	115.2	A51 H63	A51-G53 PolarHBondContact O-N 3.32Å; G53-H63 PolarHBondContact O-CD2 2.89Å; G53-H63 VanDerWaalsContact O-CD2 3.24Å
54	W	86	Confident	80.9	Confident	28 Å²	28	57 Å²	57	11%	0.106	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-100.9	135.7	173.5	-69.6	73.4	0	0	0	111.6	C50 A51 D52 P56 C61 Y62 H63 L83 A85 C177 R179	C50-W54 HydrophobicContact CB-CB 3.76Å; A51-W54 WeakPolarHBondContact O-CB 3.46Å; A51-W54 PolarHBondContact O-N 3.44Å; D52-W54 VanDerWaalsContact C-N 3.34Å; W54-P56 WeakPolarHBondContact O-CD 3.37Å; W54-C61 HydrophobicContact CB-CB 4.11Å; W54-C61 HydrophobicContact CD2-CB 4.24Å; W54-C61 VanDerWaalsContact CE3-C 3.49Å; W54-C61 HydrophobicContact CE3-CB 3.65Å; W54-C61 HydrophobicContact CG-CB 4.46Å; W54-C61 HydrophobicContact CZ3-CB 4.5Å; W54-C61 WeakPolarHBondContact CZ3-O 3.47Å; W54-Y62 CarbonylContact C-O 3.57Å; W54-Y62 WeakPolarHBondContact CA-O 3.35Å; W54-H63 HydrophobicContact CD2-CB 3.82Å; W54-H63 HydrophobicContact CE3-CB 3.65Å; W54-H63 HydrophobicContact CH2-CB 3.68Å; W54-H63 HydrophobicContact CZ2-CB 3.86Å; W54-H63 HydrophobicContact CZ3-CB 3.59Å; W54-L83 HydrophobicContact CH2-CB 4.44Å; W54-L83 HydrophobicContact CZ2-CB 3.99Å; W54-L83 HydrophobicContact CZ2-CD1 4.23Å; W54-A85 HydrophobicContact CH2-CB 3.55Å; W54-A85 HydrophobicContact CZ3-CB 4.18Å; W54-C177 HydrophobicContact CH2-CB 4.19Å; W54-C177 HydrophobicContact CZ3-CB 4.48Å; W54-R179 VanDerWaalsContact CE2-CZ 3.46Å; W54-R179 HydrophobicContact CE3-CG 4.05Å; W54-R179 HydrophobicContact CH2-CG 4.15Å; W54-R179 HydrophobicContact CZ3-CB 4.48Å; W54-R179 HydrophobicContact CZ3-CG 3.71Å
55	W	83.6	Confident	81.5	Confident	113 Å²	113	54.5 Å²	54.5	43%	0.428	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.9	179.1	-68	83.7	0	0	0	110.7	C61 Y62 L102	W55-C61 WeakPolarHBondContact O-CA 3.38Å; W55-Y62 PolarHBondContact N-O 3.36Å; W55-Y62 PolarHBondContact O-N 3.1Å; W55-L102 HydrophobicContact CB-CD1 3.84Å; W55-L102 VanDerWaalsContact CD1-CD1 3.42Å; W55-L102 HydrophobicContact CD2-CD1 3.37Å; W55-L102 HydrophobicContact CE3-CD1 4.04Å; W55-L102 HydrophobicContact CG-CD1 3.24Å; W55-L102 HydrophobicContact CZ2-CD1 4.42Å
56	P	83.6	Confident	82.1	Confident	55 Å²	55	51.2 Å²	51.2	36%	0.357	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.3	178.8	28.2	-30.6	0	0	0	112.4	T48 C50 W54	T48-P56 HydrophobicContact CG2-CB 4.01Å; T48-P56 WeakPolarHBondContact O-CB 3.47Å; C50-P56 HydrophobicContact CB-CB 4.3Å; C50-P56 VanDerWaalsContact SG-CA 3.52Å; W54-P56 WeakPolarHBondContact O-CD 3.37Å
57	H	78.3	Confident	82.1	Confident	40 Å²	40	53.3 Å²	53.3	19%	0.185	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	126.8	169	-174.8	84.1	0	0	0	112	G59 F60 Y62 M98	H57-G59 PolarHBondContact O-N 3.13Å; H57-F60 PolarHBondContact N-O 3.5Å; H57-F60 PolarHBondContact O-N 3.08Å; H57-F60 VanDerWaalsContact O-O 3.1Å; H57-Y62 HydrophobicContact CB-CD2 4.17Å; H57-Y62 HydrophobicContact CB-CE2 3.8Å; H57-M98 HydrophobicContact CB-CG 3.82Å; H57-M98 HydrophobicContact CB-SD 3.66Å; H57-M98 VanDerWaalsContact CD2-CG 3.47Å; H57-M98 WeakPolarHBondContact CD2-CG 3.06Å; H57-M98 VanDerWaalsContact CG-CG 3.43Å
58	N	76.5	Confident	81.9	Confident	26 Å²	26	59.5 Å²	59.5	14%	0.139	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	44.5	170.5	-69.5	-1.2	0	0	0	116.2	Q44 Y45 I46 F60	Q44-N58 VanDerWaalsContact O-CG 3.31Å; Q44-N58 PolarHBondContact O-ND2 3.44Å; Q44-N58 PolarHBondContact O-OD1 2.89Å; Q44-N58 VanDerWaalsContact O-OD1 3.08Å; Y45-N58 WeakPolarHBondContact CA-OD1 3.36Å; I46-N58 PolarHBondContact N-OD1 2.99Å; N58-F60 VanDerWaalsContact C-N 3.32Å; N58-F60 VanDerWaalsContact O-CD2 3.3Å; N58-F60 WeakPolarHBondContact O-CD2 3.45Å
59	G	78.9	Confident	81.4	Confident	20 Å²	20	64.6 Å²	64.6	21%	0.206	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-4.4	179	0	0	0	0	0	114.5	T48 H57 S181	T48-G59 WeakPolarHBondContact OG1-CA 3.4Å; T48-G59 PolarHBondContact OG1-N 3.19Å; H57-G59 PolarHBondContact O-N 3.13Å; G59-S181 WeakPolarHBondContact O-CB 3.15Å; G59-S181 PolarHBondContact O-N 3.01Å
60	F	86.3	Confident	80.6	Confident	50 Å²	50	57.6 Å²	57.6	22%	0.219	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	153.8	-179.3	-62.5	-85.2	0	0	0	111.8	H57 N58 Y62 R178 R179 E180	H57-F60 PolarHBondContact N-O 3.5Å; H57-F60 PolarHBondContact O-N 3.08Å; H57-F60 VanDerWaalsContact O-O 3.1Å; N58-F60 VanDerWaalsContact C-N 3.32Å; N58-F60 VanDerWaalsContact O-CD2 3.3Å; N58-F60 WeakPolarHBondContact O-CD2 3.45Å; F60-Y62 HydrophobicContact CB-CE2 3.63Å; F60-R178 HydrophobicContact CB-CG 4.34Å; F60-R178 HydrophobicContact CD1-CG 4.05Å; F60-R178 VanDerWaalsContact CD2-NH2 3.27Å; F60-R178 VanDerWaalsContact CE1-NH2 3.34Å; F60-R178 HydrophobicContact CG-CG 4.43Å; F60-R179 WeakPolarHBondContact CA-O 3.32Å; F60-E180 HydrophobicContact CD1-CG 4.04Å; F60-E180 HydrophobicContact CE1-CG 3.62Å
61	C	89.3	Confident	80.4	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.02	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.4	173.8	-60.8	0	0	0	0	109	C50 W54 W55 R179	C50-C61 HydrophobicContact CB-CB 3.9Å; C50-C61 WeakPolarHBondContact CB-SG 3.32Å; C50-C61 WeakPolarHBondContact SG-CA 3.35Å; C50-C61 WeakPolarHBondContact SG-CB 3.09Å; C50-C61 CovalentContact SG-SG 2.03Å; C50-C61 PolarHBondContact SG-SG 2.85Å; W54-C61 HydrophobicContact CB-CB 4.11Å; W54-C61 HydrophobicContact CD2-CB 4.24Å; W54-C61 VanDerWaalsContact CE3-C 3.49Å; W54-C61 HydrophobicContact CE3-CB 3.65Å; W54-C61 HydrophobicContact CG-CB 4.46Å; W54-C61 HydrophobicContact CZ3-CB 4.5Å; W54-C61 WeakPolarHBondContact CZ3-O 3.47Å; W55-C61 WeakPolarHBondContact O-CA 3.38Å; C61-R179 HydrophobicContact CB-CG 3.92Å; C61-R179 PolarHBondContact N-O 3.03Å; C61-R179 PolarHBondContact O-N 3.38Å
62	Y	89.3	Confident	80.7	Confident	1 Å²	1	54.2 Å²	54.2	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.8	-178.1	-57.8	-89.1	0	0	0	111.9	W54 W55 H57 F60 I88 M98 C177 R178	W54-Y62 CarbonylContact C-O 3.57Å; W54-Y62 WeakPolarHBondContact CA-O 3.35Å; W55-Y62 PolarHBondContact N-O 3.36Å; W55-Y62 PolarHBondContact O-N 3.1Å; H57-Y62 HydrophobicContact CB-CD2 4.17Å; H57-Y62 HydrophobicContact CB-CE2 3.8Å; F60-Y62 HydrophobicContact CB-CE2 3.63Å; Y62-I88 HydrophobicContact CD1-CD1 3.73Å; Y62-I88 HydrophobicContact CD1-CG1 4.43Å; Y62-I88 HydrophobicContact CE1-CD1 3.62Å; Y62-I88 HydrophobicContact CE1-CG1 4.14Å; Y62-M98 HydrophobicContact CD1-CE 4.08Å; Y62-M98 HydrophobicContact CD1-SD 4.28Å; Y62-M98 HydrophobicContact CD2-CE 4.35Å; Y62-M98 HydrophobicContact CD2-SD 3.55Å; Y62-M98 VanDerWaalsContact CD2-SD 3.55Å; Y62-M98 HydrophobicContact CE1-CE 4.05Å; Y62-M98 HydrophobicContact CE1-SD 4.09Å; Y62-M98 HydrophobicContact CE2-CE 4.37Å; Y62-M98 HydrophobicContact CE2-SD 3.37Å; Y62-M98 WeakPolarHBondContact CE2-SD 3.47Å; Y62-M98 HydrophobicContact CG-CE 4.2Å; Y62-M98 HydrophobicContact CG-SD 4.01Å; Y62-C177 CarbonylContact C-O 3.55Å; Y62-C177 VanDerWaalsContact CA-O 3.31Å; Y62-C177 WeakPolarHBondContact CA-O 3.49Å; Y62-R178 HydrophobicContact CD1-CB 4.16Å; Y62-R178 HydrophobicContact CD1-CG 4.31Å; Y62-R178 HydrophobicContact CE1-CB 4.09Å; Y62-R178 HydrophobicContact CE1-CG 3.83Å
63	H	88.6	Confident	81.3	Confident	43 Å²	43	47.2 Å²	47.2	20%	0.199	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	129.9	177.6	-174.4	-77.8	0	0	0	110.4	G53 W54 C177	G53-H63 PolarHBondContact O-CD2 2.89Å; G53-H63 VanDerWaalsContact O-CD2 3.24Å; W54-H63 HydrophobicContact CD2-CB 3.82Å; W54-H63 HydrophobicContact CE3-CB 3.65Å; W54-H63 HydrophobicContact CH2-CB 3.68Å; W54-H63 HydrophobicContact CZ2-CB 3.86Å; W54-H63 HydrophobicContact CZ3-CB 3.59Å; H63-C177 PolarHBondContact N-O 3.49Å; H63-C177 PolarHBondContact O-N 3.23Å
64	V	88.1	Confident	81.8	Confident	16 Å²	16	51 Å²	51	10%	0.097	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121	176.8	-175	0	0	0	0	108.6	L102 L103 V176	V64-L102 HydrophobicContact CG2-CD2 3.98Å; V64-L102 HydrophobicContact CG2-CG 4.16Å; V64-L103 HydrophobicContact CG1-CD2 4.4Å; V64-L103 HydrophobicContact CG2-CD2 4.19Å; V64-V176 HydrophobicContact CG2-CG2 4.22Å
65	L	85.8	Confident	82	Confident	6 Å²	6	54 Å²	54	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.3	171.9	-64.5	177.4	0	0	0	109	A79 L83 P174 A175 C177	L65-A79 HydrophobicContact CD1-CB 3.7Å; L65-L83 HydrophobicContact CD2-CD1 4.03Å; L65-P174 WeakPolarHBondContact O-CA 3.16Å; L65-P174 WeakPolarHBondContact O-CB 3.44Å; L65-A175 HydrophobicContact CB-CB 4.48Å; L65-A175 WeakPolarHBondContact CB-O 3.4Å; L65-A175 HydrophobicContact CD1-CB 4.46Å; L65-A175 PolarHBondContact N-O 3.45Å; L65-A175 PolarHBondContact O-N 3.03Å; L65-C177 WeakPolarHBondContact CD1-SG 3.41Å
66	A	79.7	Confident	82.4	Confident	47 Å²	47	48.6 Å²	48.6	39%	0.388	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-65.9	158	174.6	0	0	0	0	0	111	K68 E69 S70	A66-K68 PolarHBondContact O-N 3.38Å; A66-K68 VanDerWaalsContact O-N 3.14Å; A66-E69 WeakPolarHBondContact O-CA 3.27Å; A66-E69 WeakPolarHBondContact O-CB 3.46Å; A66-E69 PolarHBondContact O-N 3.3Å; A66-S70 VanDerWaalsContact C-OG 3.31Å; A66-S70 PolarHBondContact O-N 3.11Å; A66-S70 PolarHBondContact O-OG 3.07Å
67	E	72.4	Confident	82.8	Confident	112 Å²	112	48 Å²	48	52%	0.523	24%	0.241	S	C	.	.	H	α-helix	trans	-53.3	-38.8	-178.6	-166.2	-173.7	160.2	0	0	112.5	E69 S70 G71 P174	E67-E69 PolarHBondContact O-N 3.44Å; E67-E69 VanDerWaalsContact O-N 3.13Å; E67-S70 WeakPolarHBondContact CA-OG 3.04Å; E67-S70 PolarHBondContact O-N 3.27Å; E67-G71 PolarHBondContact O-N 2.03Å; E67-G71 VanDerWaalsContact O-N 3.13Å; E67-P174 HydrophobicContact CB-CG 4.1Å
68	K	66.1	Low	83.4	Confident	210 Å²	210	53 Å²	53	91%	0.913	26%	0.258	S	S	*	.	H	α-helix	trans	-61.9	-19.9	176.8	-65.4	-178.2	-179.2	175.7	0	114.2	A66	A66-K68 PolarHBondContact O-N 3.38Å; A66-K68 VanDerWaalsContact O-N 3.14Å
69	E	65.1	Low	84.1	Confident	122 Å²	122	52.8 Å²	52.8	57%	0.57	26%	0.26	S	S	*	.	H	α-helix	trans	-110.4	-20.7	-174.7	-60.1	176.9	167.1	0	0	112.7	A66 E67	A66-E69 WeakPolarHBondContact O-CA 3.27Å; A66-E69 WeakPolarHBondContact O-CB 3.46Å; A66-E69 PolarHBondContact O-N 3.3Å; E67-E69 PolarHBondContact O-N 3.44Å; E67-E69 VanDerWaalsContact O-N 3.13Å
70	S	66	Low	84.7	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.007	25%	0.25	C	S	.	.	H	α-helix	trans	-103.7	-38.1	-171.7	42.1	0	0	0	0	112.8	A66 E67 S72 E75 S76 H173 P174	A66-S70 VanDerWaalsContact C-OG 3.31Å; A66-S70 PolarHBondContact O-N 3.11Å; A66-S70 PolarHBondContact O-OG 3.07Å; E67-S70 WeakPolarHBondContact CA-OG 3.04Å; E67-S70 PolarHBondContact O-N 3.27Å; S70-S72 PolarHBondContact O-N 3.31Å; S70-E75 CarbonylContact O-C 3.51Å; S70-E75 WeakPolarHBondContact O-CB 3.1Å; S70-S76 VanDerWaalsContact C-OG 3.24Å; S70-S76 VanDerWaalsContact CB-OG 3.3Å; S70-S76 WeakPolarHBondContact CB-OG 3.49Å; S70-S76 WeakPolarHBondContact O-CA 3.04Å; S70-S76 PolarHBondContact O-N 3.15Å; S70-S76 PolarHBondContact O-OG 2.84Å; S70-H173 WeakPolarHBondContact CB-O 3.46Å; S70-H173 PolarHBondContact OG-O 3.28Å; S70-P174 VanDerWaalsContact OG-CA 3.29Å; S70-P174 WeakPolarHBondContact OG-CA 3.46Å
71	G	81.1	Confident	84.9	Confident	7 Å²	7	51.6 Å²	51.6	7%	0.072	26%	0.261	C	S	.	.			trans	47.9	-127.1	177	0	0	0	0	0	114.6	E67 W114 Q172 H173	E67-G71 PolarHBondContact O-N 2.03Å; E67-G71 VanDerWaalsContact O-N 3.13Å; G71-W114 PolarHBondContact O-NE1 3.31Å; G71-Q172 VanDerWaalsContact C-OE1 3.32Å; G71-Q172 WeakPolarHBondContact O-CA 3.47Å; G71-H173 PolarHBondContact O-N 2.9Å
72	S	90.3	Very high	84.9	Confident	13 Å²	13	56.2 Å²	56.2	9%	0.091	29%	0.294	C	S	.	.	S	Bend	trans	-70.2	159.6	175.6	63	0	0	0	0	112.4	S70 K74 E75 S76 C169	S70-S72 PolarHBondContact O-N 3.31Å; S72-K74 PolarHBondContact O-N 3.02Å; S72-K74 VanDerWaalsContact O-N 3.12Å; S72-E75 WeakPolarHBondContact CB-OE2 3.47Å; S72-E75 PolarHBondContact N-OE2 3.26Å; S72-E75 WeakPolarHBondContact O-CA 3.14Å; S72-E75 WeakPolarHBondContact O-CB 3.24Å; S72-E75 PolarHBondContact O-N 3.49Å; S72-E75 WeakPolarHBondContact OG-CB 3.37Å; S72-E75 WeakPolarHBondContact OG-CG 3.49Å; S72-E75 PolarHBondContact OG-N 3.03Å; S72-E75 PolarHBondContact OG-OE2 2.93Å; S72-S76 PolarHBondContact O-N 3.19Å; S72-S76 PolarHBondContact O-OG 3.43Å; S72-S76 VanDerWaalsContact O-OG 3.13Å; S72-C169 WeakPolarHBondContact CB-O 3.49Å
73	W	92.1	Very high	84.9	Confident	25 Å²	25	59.4 Å²	59.4	10%	0.095	31%	0.31	C	S	.	.	H	α-helix	trans	-55.5	-37.8	180	-174	93.6	0	0	0	112.8	S76 S77 L87 W114 I115 W118 C154 C169	W73-S76 WeakPolarHBondContact O-CB 3.36Å; W73-S76 PolarHBondContact O-N 3.1Å; W73-S77 WeakPolarHBondContact O-CB 3.39Å; W73-S77 PolarHBondContact O-N 2.96Å; W73-L87 HydrophobicContact CD2-CD1 4.11Å; W73-L87 HydrophobicContact CH2-CD1 4.45Å; W73-L87 HydrophobicContact CZ2-CD1 3.76Å; W73-W114 HydrophobicContact CB-CD2 4.18Å; W73-W114 HydrophobicContact CB-CE3 4.47Å; W73-W114 HydrophobicContact CB-CZ2 4.36Å; W73-W114 AromaticContact CD1-CD2 3.87Å; W73-W114 AromaticContact CD1-CE3 3.7Å; W73-W114 HydrophobicContact CG-CD2 4.47Å; W73-W114 HydrophobicContact CG-CE3 4.49Å; W73-I115 PolarHBondContact NE1-O 2.84Å; W73-W118 HydrophobicContact CH2-CB 4.16Å; W73-W118 AromaticContact CH2-CD1 3.98Å; W73-W118 HydrophobicContact CH2-CD2 4.36Å; W73-W118 AromaticContact CH2-CG 3.89Å; W73-W118 HydrophobicContact CH2-CG 3.89Å; W73-W118 HydrophobicContact CZ2-CB 3.89Å; W73-W118 HydrophobicContact CZ2-CG 4.05Å; W73-C154 HydrophobicContact CB-CB 3.91Å; W73-C154 VanDerWaalsContact CB-SG 3.52Å; W73-C154 HydrophobicContact CD2-CB 4.33Å; W73-C154 VanDerWaalsContact CD2-SG 3.52Å; W73-C154 HydrophobicContact CG-CB 3.71Å; W73-C169 HydrophobicContact CB-CB 4.35Å; W73-C169 PolarHBondContact N-O 3.02Å; W73-C169 VanDerWaalsContact N-O 3.07Å
74	K	90.4	Very high	84.9	Confident	134 Å²	134	60.3 Å²	60.3	58%	0.583	33%	0.332	S	S	*	.	H	α-helix	trans	-71.5	-34.8	178.4	-168.6	175.6	-175.1	173.2	0	112.5	S72 R78	S72-K74 PolarHBondContact O-N 3.02Å; S72-K74 VanDerWaalsContact O-N 3.12Å; K74-R78 PolarHBondContact O-N 3.4Å
75	E	91	Very high	85	Confident	90 Å²	90	59.9 Å²	59.9	42%	0.421	33%	0.33	S	S	.	.	H	α-helix	trans	-68.2	-44.6	172.7	-73.5	162.4	159.9	0	0	110.9	S70 S72 S77 R78 A79	S70-E75 CarbonylContact O-C 3.51Å; S70-E75 WeakPolarHBondContact O-CB 3.1Å; S72-E75 WeakPolarHBondContact CB-OE2 3.47Å; S72-E75 PolarHBondContact N-OE2 3.26Å; S72-E75 WeakPolarHBondContact O-CA 3.14Å; S72-E75 WeakPolarHBondContact O-CB 3.24Å; S72-E75 PolarHBondContact O-N 3.49Å; S72-E75 WeakPolarHBondContact OG-CB 3.37Å; S72-E75 WeakPolarHBondContact OG-CG 3.49Å; S72-E75 PolarHBondContact OG-N 3.03Å; S72-E75 PolarHBondContact OG-OE2 2.93Å; E75-S77 VanDerWaalsContact C-N 3.31Å; E75-S77 PolarHBondContact O-N 3.48Å; E75-R78 PolarHBondContact O-N 3.44Å; E75-R78 VanDerWaalsContact O-N 3.12Å; E75-A79 WeakPolarHBondContact O-CB 3.26Å; E75-A79 PolarHBondContact O-N 3.06Å
76	S	91.6	Very high	85.4	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-55.7	-45.7	173.8	-63.4	0	0	0	0	111.6	S70 S72 W73 R78 A79 C80 A175	S70-S76 VanDerWaalsContact C-OG 3.24Å; S70-S76 VanDerWaalsContact CB-OG 3.3Å; S70-S76 WeakPolarHBondContact CB-OG 3.49Å; S70-S76 WeakPolarHBondContact O-CA 3.04Å; S70-S76 PolarHBondContact O-N 3.15Å; S70-S76 PolarHBondContact O-OG 2.84Å; S72-S76 PolarHBondContact O-N 3.19Å; S72-S76 PolarHBondContact O-OG 3.43Å; S72-S76 VanDerWaalsContact O-OG 3.13Å; W73-S76 WeakPolarHBondContact O-CB 3.36Å; W73-S76 PolarHBondContact O-N 3.1Å; S76-R78 PolarHBondContact O-N 3.21Å; S76-A79 PolarHBondContact O-N 2.85Å; S76-C80 PolarHBondContact O-N 3.41Å; S76-C80 PolarHBondContact O-SG 3.08Å; S76-C80 VanDerWaalsContact O-SG 3.4Å; S76-A175 WeakPolarHBondContact OG-CB 3.44Å
77	S	91.7	Very high	86	Confident	42 Å²	42	62.8 Å²	62.8	29%	0.294	33%	0.334	S	S	.	.	H	α-helix	trans	-60.3	-44	176.5	-175.1	0	0	0	0	112.3	W73 E75 G81	W73-S77 WeakPolarHBondContact O-CB 3.39Å; W73-S77 PolarHBondContact O-N 2.96Å; E75-S77 VanDerWaalsContact C-N 3.31Å; E75-S77 PolarHBondContact O-N 3.48Å; S77-G81 PolarHBondContact O-N 3.23Å
78	R	90.3	Very high	87	Confident	146 Å²	146	57.5 Å²	57.5	55%	0.551	31%	0.309	S	S	*	.	H	α-helix	trans	-66.9	-39.1	174.7	-71.2	-169	-138.5	93.5	-6.2	112.4	K74 E75 S76 G81 S82	K74-R78 PolarHBondContact O-N 3.4Å; E75-R78 PolarHBondContact O-N 3.44Å; E75-R78 VanDerWaalsContact O-N 3.12Å; S76-R78 PolarHBondContact O-N 3.21Å; R78-G81 PolarHBondContact O-N 3.28Å; R78-S82 PolarHBondContact O-N 3.48Å
79	A	91.1	Very high	88.2	Confident	21 Å²	21	47.5 Å²	47.5	17%	0.174	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-48.6	178.3	0	0	0	0	0	110.6	L65 E75 S76 G81 S82 L83	L65-A79 HydrophobicContact CD1-CB 3.7Å; E75-A79 WeakPolarHBondContact O-CB 3.26Å; E75-A79 PolarHBondContact O-N 3.06Å; S76-A79 PolarHBondContact O-N 2.85Å; A79-G81 VanDerWaalsContact C-N 3.3Å; A79-G81 PolarHBondContact O-N 2.04Å; A79-S82 PolarHBondContact O-N 3.45Å; A79-S82 VanDerWaalsContact O-N 3.16Å; A79-S82 PolarHBondContact O-OG 2.75Å; A79-L83 PolarHBondContact O-N 2.8Å
80	C	91.5	Very high	89.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.4	-43.9	171.7	-65.7	0	0	0	0	111.7	S76 S82 L83 G84 A85 C177	S76-C80 PolarHBondContact O-N 3.41Å; S76-C80 PolarHBondContact O-SG 3.08Å; S76-C80 VanDerWaalsContact O-SG 3.4Å; C80-S82 VanDerWaalsContact C-N 3.29Å; C80-S82 PolarHBondContact O-N 2.87Å; C80-L83 WeakPolarHBondContact O-CB 3.29Å; C80-L83 PolarHBondContact O-N 2.87Å; C80-G84 PolarHBondContact O-N 2.87Å; C80-A85 CarbonylContact C-O 3.58Å; C80-A85 HydrophobicContact CB-CB 4.48Å; C80-A85 CarbonylContact O-C 3.58Å; C80-A85 WeakPolarHBondContact O-CA 3.49Å; C80-A85 PolarHBondContact O-N 2.85Å; C80-C177 WeakPolarHBondContact CA-SG 3.32Å; C80-C177 HydrophobicContact CB-CB 3.77Å; C80-C177 WeakPolarHBondContact CB-SG 3.49Å; C80-C177 VanDerWaalsContact SG-CA 3.57Å; C80-C177 WeakPolarHBondContact SG-CB 3.18Å; C80-C177 CovalentContact SG-SG 2.03Å; C80-C177 PolarHBondContact SG-SG 2.98Å
81	G	90.9	Very high	90.3	Very high	44 Å²	44	43.5 Å²	43.5	45%	0.454	25%	0.25	S	S	.	.	H	α-helix	trans	-57.9	-38.9	177	0	0	0	0	0	113.4	S77 R78 A79 L83 G84 A85	S77-G81 PolarHBondContact O-N 3.23Å; R78-G81 PolarHBondContact O-N 3.28Å; A79-G81 VanDerWaalsContact C-N 3.3Å; A79-G81 PolarHBondContact O-N 2.04Å; G81-L83 PolarHBondContact O-N 2.76Å; G81-G84 PolarHBondContact O-N 3.21Å; G81-G84 VanDerWaalsContact O-N 3.07Å; G81-A85 VanDerWaalsContact CA-O 3.32Å; G81-A85 WeakPolarHBondContact CA-O 3.24Å; G81-A85 PolarHBondContact N-O 3.15Å
82	S	90.1	Very high	90.6	Very high	100 Å²	100	43.6 Å²	43.6	70%	0.699	25%	0.25	S	C	*	.	H	α-helix	trans	-64.9	-25.2	177	77.9	0	0	0	0	113.4	R78 A79 C80 G84	R78-S82 PolarHBondContact O-N 3.48Å; A79-S82 PolarHBondContact O-N 3.45Å; A79-S82 VanDerWaalsContact O-N 3.16Å; A79-S82 PolarHBondContact O-OG 2.75Å; C80-S82 VanDerWaalsContact C-N 3.29Å; C80-S82 PolarHBondContact O-N 2.87Å; S82-G84 VanDerWaalsContact C-N 3.32Å
83	L	88.2	Confident	90.3	Very high	68 Å²	68	44.7 Å²	44.7	36%	0.356	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	5.3	176.3	-60.5	174.5	0	0	0	113.2	W54 L65 A79 C80 G81 A85 R179	W54-L83 HydrophobicContact CH2-CB 4.44Å; W54-L83 HydrophobicContact CZ2-CB 3.99Å; W54-L83 HydrophobicContact CZ2-CD1 4.23Å; L65-L83 HydrophobicContact CD2-CD1 4.03Å; A79-L83 PolarHBondContact O-N 2.8Å; C80-L83 WeakPolarHBondContact O-CB 3.29Å; C80-L83 PolarHBondContact O-N 2.87Å; G81-L83 PolarHBondContact O-N 2.76Å; L83-A85 VanDerWaalsContact C-N 3.29Å; L83-R179 PolarHBondContact O-NH1 2.97Å
84	G	88.9	Confident	89.8	Confident	63 Å²	63	43.9 Å²	43.9	65%	0.649	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	26.9	-173.9	0	0	0	0	0	113.1	C80 G81 S82	C80-G84 PolarHBondContact O-N 2.87Å; G81-G84 PolarHBondContact O-N 3.21Å; G81-G84 VanDerWaalsContact O-N 3.07Å; S82-G84 VanDerWaalsContact C-N 3.32Å
85	A	91.1	Very high	89.6	Confident	7 Å²	7	38.6 Å²	38.6	6%	0.058	23%	0.23	C	C	.	.			trans	-123.8	170.6	-178.9	0	0	0	0	0	111.1	W54 C80 G81 L83 C177 R178 R179	W54-A85 HydrophobicContact CH2-CB 3.55Å; W54-A85 HydrophobicContact CZ3-CB 4.18Å; C80-A85 CarbonylContact C-O 3.58Å; C80-A85 HydrophobicContact CB-CB 4.48Å; C80-A85 CarbonylContact O-C 3.58Å; C80-A85 WeakPolarHBondContact O-CA 3.49Å; C80-A85 PolarHBondContact O-N 2.85Å; G81-A85 VanDerWaalsContact CA-O 3.32Å; G81-A85 WeakPolarHBondContact CA-O 3.24Å; G81-A85 PolarHBondContact N-O 3.15Å; L83-A85 VanDerWaalsContact C-N 3.29Å; A85-C177 HydrophobicContact CB-CB 3.9Å; A85-R178 WeakPolarHBondContact CA-O 3.33Å; A85-R178 WeakPolarHBondContact CB-O 3.36Å; A85-R179 HydrophobicContact CB-CB 3.91Å
86	K	93.6	Very high	89.4	Confident	113 Å²	113	34.3 Å²	34.3	49%	0.491	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	167.1	170.2	-64.1	-175.4	-177.8	177.1	0	109.3	D130 C177 R178	K86-D130 HydrophobicContact CB-CB 4.42Å; K86-D130 HydrophobicContact CD-CB 3.54Å; K86-D130 PolarHBondContact NZ-O 3.37Å; K86-C177 CarbonylContact O-C 3.51Å; K86-C177 VanDerWaalsContact O-CA 3.25Å; K86-C177 WeakPolarHBondContact O-CA 3.25Å; K86-R178 PolarHBondContact N-O 2.88Å; K86-R178 PolarHBondContact O-N 2.95Å
87	L	93.2	Very high	89.2	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	146.3	169	-73.2	168.9	0	0	0	109.8	W73 S89 G116 A175	W73-L87 HydrophobicContact CD2-CD1 4.11Å; W73-L87 HydrophobicContact CH2-CD1 4.45Å; W73-L87 HydrophobicContact CZ2-CD1 3.76Å; L87-S89 PolarHBondContact O-N 2.04Å; L87-G116 VanDerWaalsContact CB-CA 3.42Å; L87-A175 HydrophobicContact CD2-CB 3.92Å
88	I	92.6	Very high	88.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-60.8	133.2	-174.7	-169.7	167.7	0	0	0	112.1	Y62 L90 M98 L99 I115 G116 W128 V176 R178	Y62-I88 HydrophobicContact CD1-CD1 3.73Å; Y62-I88 HydrophobicContact CD1-CG1 4.43Å; Y62-I88 HydrophobicContact CE1-CD1 3.62Å; Y62-I88 HydrophobicContact CE1-CG1 4.14Å; I88-L90 HydrophobicContact CD1-CD2 3.91Å; I88-L90 HydrophobicContact CG1-CD2 4.13Å; I88-M98 HydrophobicContact CD1-CE 4.35Å; I88-L99 HydrophobicContact CD1-CD1 4.09Å; I88-L99 HydrophobicContact CD1-CD2 4.22Å; I88-I115 HydrophobicContact CG2-CB 4.04Å; I88-I115 HydrophobicContact CG2-CG2 3.86Å; I88-G116 WeakPolarHBondContact O-CA 3.46Å; I88-G116 PolarHBondContact O-N 2.86Å; I88-W128 VanDerWaalsContact O-CZ3 3.26Å; I88-W128 WeakPolarHBondContact O-CZ3 3.38Å; I88-V176 HydrophobicContact CB-CB 4.42Å; I88-V176 HydrophobicContact CB-CG1 4.34Å; I88-V176 HydrophobicContact CD1-CG1 4.16Å; I88-V176 HydrophobicContact CG2-CB 3.97Å; I88-V176 HydrophobicContact CG2-CG1 4.35Å; I88-V176 PolarHBondContact N-O 3.39Å; I88-R178 HydrophobicContact CB-CB 4.37Å; I88-R178 HydrophobicContact CG1-CB 4.37Å
89	S	92.2	Very high	88.7	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.007	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-102.6	139.2	164.5	47.7	0	0	0	0	109.7	L87 D130 R178	L87-S89 PolarHBondContact O-N 2.04Å; S89-D130 WeakPolarHBondContact CB-OD2 3.43Å; S89-D130 PolarHBondContact OG-OD2 2.95Å; S89-R178 PolarHBondContact O-NH1 3.27Å; S89-R178 PolarHBondContact OG-NH1 2.91Å
90	L	89	Confident	88.4	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.174	C	C	.	.			trans	-117.9	106.7	-178.9	-63	171.5	0	0	0	109.2	I88 E95 V96 L99 W128 M157 W164	I88-L90 HydrophobicContact CD1-CD2 3.91Å; I88-L90 HydrophobicContact CG1-CD2 4.13Å; L90-E95 WeakPolarHBondContact CA-OE2 3.4Å; L90-E95 HydrophobicContact CD2-CB 3.99Å; L90-V96 HydrophobicContact CB-CG2 4.39Å; L90-V96 HydrophobicContact CD1-CG2 4.33Å; L90-V96 HydrophobicContact CD2-CG2 4.46Å; L90-L99 HydrophobicContact CD1-CD2 4.03Å; L90-L99 HydrophobicContact CD2-CD2 4.12Å; L90-W128 HydrophobicContact CB-CH2 3.82Å; L90-W128 HydrophobicContact CB-CZ2 4.01Å; L90-W128 HydrophobicContact CG-CH2 4.21Å; L90-W128 VanDerWaalsContact N-CZ2 3.29Å; L90-W128 VanDerWaalsContact O-CZ2 3.25Å; L90-W128 WeakPolarHBondContact O-CZ2 3.42Å; L90-M157 HydrophobicContact CD1-SD 4.26Å; L90-W164 HydrophobicContact CB-CZ2 4.21Å; L90-W164 HydrophobicContact CD1-CZ2 4.19Å
91	C	86.3	Confident	87.9	Confident	38 Å²	38	30.5 Å²	30.5	26%	0.257	19%	0.193	S	C	.	.			trans	-111.6	-12.5	-174.3	-67.2	0	0	0	0	113.7	E95 T135	C91-E95 PolarHBondContact N-OE2 3.39Å; C91-T135 PolarHBondContact O-OG1 3.35Å; C91-T135 VanDerWaalsContact O-OG1 3.12Å
92	S	85.5	Confident	87.6	Confident	9 Å²	9	29 Å²	29	6%	0.063	17%	0.174	C	C	.	.	S	Bend	trans	-141.2	159.5	178.1	63.9	0	0	0	0	112.4	E38 S94 E95 V96	E38-S92 WeakPolarHBondContact OE1-CA 3.41Å; S92-S94 PolarHBondContact O-N 2.94Å; S92-S94 PolarHBondContact OG-OG 3.11Å; S92-E95 PolarHBondContact O-N 2.9Å; S92-E95 PolarHBondContact OG-N 2.84Å; S92-V96 WeakPolarHBondContact O-CG2 3.5Å; S92-V96 PolarHBondContact O-N 3.12Å
93	L	84.6	Confident	87.2	Confident	37 Å²	37	25 Å²	25	19%	0.194	15%	0.145	C	C	.	.	H	α-helix	trans	-64.6	-27.9	174.6	-66	173.1	0	0	0	112.5	E38 W43 V96 E97 L136 L138 F236 A239	E38-L93 WeakPolarHBondContact OE1-CG 3.45Å; E38-L93 PolarHBondContact OE1-N 3.17Å; E38-L93 WeakPolarHBondContact OE2-CB 3.38Å; W43-L93 HydrophobicContact CH2-CB 4.21Å; W43-L93 HydrophobicContact CZ2-CB 4.05Å; L93-V96 PolarHBondContact O-N 2.97Å; L93-E97 PolarHBondContact O-N 2.76Å; L93-L136 HydrophobicContact CD2-CD1 4.22Å; L93-L136 HydrophobicContact CD2-CD2 4.11Å; L93-L138 HydrophobicContact CD2-CD1 4.42Å; L93-F236 HydrophobicContact CB-CD1 4.31Å; L93-F236 WeakPolarHBondContact O-CD1 3.43Å; L93-A239 HydrophobicContact CD1-CB 3.92Å
94	S	82.9	Confident	86.6	Confident	8 Å²	8	24.2 Å²	24.2	6%	0.056	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-39.9	174.7	59.9	0	0	0	0	113	N42 S92 V96 E97 M98	N42-S94 VanDerWaalsContact O-CB 3.25Å; N42-S94 WeakPolarHBondContact O-CB 3.2Å; N42-S94 PolarHBondContact O-OG 3.19Å; S92-S94 PolarHBondContact O-N 2.94Å; S92-S94 PolarHBondContact OG-OG 3.11Å; S94-V96 VanDerWaalsContact C-N 3.31Å; S94-V96 PolarHBondContact O-N 3.22Å; S94-E97 PolarHBondContact O-N 2.93Å; S94-M98 PolarHBondContact O-N 3.4Å
95	E	85.5	Confident	85.7	Confident	22 Å²	22	26.2 Å²	26.2	10%	0.103	14%	0.144	C	C	.	.	H	α-helix	trans	-66.2	-35.2	174.6	-71.5	-179.2	158.2	0	0	111.2	L90 C91 S92 L99 R178	L90-E95 WeakPolarHBondContact CA-OE2 3.4Å; L90-E95 HydrophobicContact CD2-CB 3.99Å; C91-E95 PolarHBondContact N-OE2 3.39Å; S92-E95 PolarHBondContact O-N 2.9Å; S92-E95 PolarHBondContact OG-N 2.84Å; E95-L99 WeakPolarHBondContact O-CB 3.32Å; E95-L99 PolarHBondContact O-N 2.94Å; E95-R178 IonicContact OE1-CZ 3.27Å; E95-R178 VanDerWaalsContact OE1-CZ 3.29Å; E95-R178 IonicContact OE1-NH1 3.85Å; E95-R178 PolarHBondContact OE1-NH1 3.48Å; E95-R178 IonicContact OE1-NH2 3.6Å; E95-R178 PolarHBondContact OE1-NH2 3.26Å; E95-R178 IonicContact OE2-NH1 3.72Å
96	V	87.3	Confident	84.6	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.4	-46.5	175.6	179.8	0	0	0	0	111.1	L90 S92 L93 S94 M98 L99 L100 L136 L138 F236	L90-V96 HydrophobicContact CB-CG2 4.39Å; L90-V96 HydrophobicContact CD1-CG2 4.33Å; L90-V96 HydrophobicContact CD2-CG2 4.46Å; S92-V96 WeakPolarHBondContact O-CG2 3.5Å; S92-V96 PolarHBondContact O-N 3.12Å; L93-V96 PolarHBondContact O-N 2.97Å; S94-V96 VanDerWaalsContact C-N 3.31Å; S94-V96 PolarHBondContact O-N 3.22Å; V96-M98 VanDerWaalsContact C-N 3.34Å; V96-M98 PolarHBondContact O-N 3.36Å; V96-L99 PolarHBondContact O-N 3.15Å; V96-L100 HydrophobicContact CG1-CD1 4.44Å; V96-L100 WeakPolarHBondContact O-CG 3.38Å; V96-L100 PolarHBondContact O-N 2.88Å; V96-L100 VanDerWaalsContact O-N 3.11Å; V96-L136 HydrophobicContact CG2-CD2 4.05Å; V96-L138 HydrophobicContact CB-CD1 4.39Å; V96-L138 HydrophobicContact CG1-CD1 3.93Å; V96-L138 HydrophobicContact CG2-CD1 3.76Å; V96-F236 HydrophobicContact CB-CE1 4.11Å; V96-F236 HydrophobicContact CG1-CE1 3.97Å; V96-F236 HydrophobicContact CG1-CZ 3.94Å
97	E	85.9	Confident	82.6	Confident	33 Å²	33	30.8 Å²	30.8	15%	0.154	18%	0.181	C	C	.	.	H	α-helix	trans	-57.8	-47.1	176.1	179.2	175	-159.8	0	0	111.5	W43 L93 S94 L99 L100 N101 R202 F236	W43-E97 WeakPolarHBondContact CZ3-OE2 3.42Å; L93-E97 PolarHBondContact O-N 2.76Å; S94-E97 PolarHBondContact O-N 2.93Å; E97-L99 VanDerWaalsContact C-N 3.26Å; E97-L99 PolarHBondContact O-N 3.06Å; E97-L100 PolarHBondContact O-N 3Å; E97-N101 PolarHBondContact O-N 3.31Å; E97-N101 VanDerWaalsContact O-N 3.07Å; E97-R202 IonicContact OE1-CZ 3.41Å; E97-R202 IonicContact OE1-NH2 3.39Å; E97-R202 PolarHBondContact OE1-NH2 2.73Å; E97-R202 IonicContact OE2-CZ 3.28Å; E97-R202 IonicContact OE2-NE 3.5Å; E97-R202 IonicContact OE2-NH2 2.66Å; E97-R202 PolarHBondContact OE2-NH2 2.84Å; E97-F236 HydrophobicContact CB-CB 4.18Å; E97-F236 HydrophobicContact CB-CD1 3.78Å; E97-F236 HydrophobicContact CB-CD2 4.05Å; E97-F236 HydrophobicContact CB-CE1 4.09Å; E97-F236 HydrophobicContact CB-CE2 4.35Å; E97-F236 HydrophobicContact CB-CG 3.75Å; E97-F236 HydrophobicContact CB-CZ 4.36Å; E97-F236 HydrophobicContact CG-CB 4.22Å; E97-F236 HydrophobicContact CG-CD2 4.09Å; E97-F236 HydrophobicContact CG-CG 4.07Å
98	M	85.5	Confident	80.7	Confident	18 Å²	18	33.1 Å²	33.1	9%	0.089	21%	0.205	C	C	.	.	H	α-helix	trans	-56.5	-43.6	176.9	174.8	-126.9	64.4	0	0	111.5	H57 Y62 I88 S94 V96 L100 N101 L102	H57-M98 HydrophobicContact CB-CG 3.82Å; H57-M98 HydrophobicContact CB-SD 3.66Å; H57-M98 VanDerWaalsContact CD2-CG 3.47Å; H57-M98 WeakPolarHBondContact CD2-CG 3.06Å; H57-M98 VanDerWaalsContact CG-CG 3.43Å; Y62-M98 HydrophobicContact CD1-CE 4.08Å; Y62-M98 HydrophobicContact CD1-SD 4.28Å; Y62-M98 HydrophobicContact CD2-CE 4.35Å; Y62-M98 HydrophobicContact CD2-SD 3.55Å; Y62-M98 VanDerWaalsContact CD2-SD 3.55Å; Y62-M98 HydrophobicContact CE1-CE 4.05Å; Y62-M98 HydrophobicContact CE1-SD 4.09Å; Y62-M98 HydrophobicContact CE2-CE 4.37Å; Y62-M98 HydrophobicContact CE2-SD 3.37Å; Y62-M98 WeakPolarHBondContact CE2-SD 3.47Å; Y62-M98 HydrophobicContact CG-CE 4.2Å; Y62-M98 HydrophobicContact CG-SD 4.01Å; I88-M98 HydrophobicContact CD1-CE 4.35Å; S94-M98 PolarHBondContact O-N 3.4Å; V96-M98 VanDerWaalsContact C-N 3.34Å; V96-M98 PolarHBondContact O-N 3.36Å; M98-L100 PolarHBondContact O-N 2.95Å; M98-N101 PolarHBondContact O-N 3.04Å; M98-L102 WeakPolarHBondContact O-CB 3.41Å; M98-L102 PolarHBondContact O-N 2.89Å
99	L	86.6	Confident	79	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.5	-41.2	-176.5	-176.3	60.5	0	0	0	111.3	I88 L90 E95 V96 E97 L102 L103 M157 V176	I88-L99 HydrophobicContact CD1-CD1 4.09Å; I88-L99 HydrophobicContact CD1-CD2 4.22Å; L90-L99 HydrophobicContact CD1-CD2 4.03Å; L90-L99 HydrophobicContact CD2-CD2 4.12Å; E95-L99 WeakPolarHBondContact O-CB 3.32Å; E95-L99 PolarHBondContact O-N 2.94Å; V96-L99 PolarHBondContact O-N 3.15Å; E97-L99 VanDerWaalsContact C-N 3.26Å; E97-L99 PolarHBondContact O-N 3.06Å; L99-L102 HydrophobicContact CD1-CD2 4.43Å; L99-L102 PolarHBondContact O-N 3.31Å; L99-L103 HydrophobicContact CD1-CD1 3.99Å; L99-L103 HydrophobicContact CD1-CG 4.23Å; L99-L103 HydrophobicContact CG-CD1 3.91Å; L99-L103 WeakPolarHBondContact O-CB 3.02Å; L99-L103 WeakPolarHBondContact O-CG 3.26Å; L99-L103 PolarHBondContact O-N 3.25Å; L99-M157 HydrophobicContact CD2-CE 3.37Å; L99-M157 HydrophobicContact CD2-SD 3.52Å; L99-M157 VanDerWaalsContact CD2-SD 3.52Å; L99-M157 HydrophobicContact CG-CE 3.71Å; L99-M157 HydrophobicContact CG-SD 4.4Å; L99-V176 HydrophobicContact CD1-CB 4.31Å; L99-V176 HydrophobicContact CD1-CG1 3.96Å; L99-V176 HydrophobicContact CD1-CG2 4.02Å
100	L	85.8	Confident	77.6	Confident	4 Å²	4	39 Å²	39	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-62.7	-45.3	175.5	-65.7	173.7	0	0	0	111.6	V96 E97 M98 L102 L103 A104 M157 T159 F236 L334	V96-L100 HydrophobicContact CG1-CD1 4.44Å; V96-L100 WeakPolarHBondContact O-CG 3.38Å; V96-L100 PolarHBondContact O-N 2.88Å; V96-L100 VanDerWaalsContact O-N 3.11Å; E97-L100 PolarHBondContact O-N 3Å; M98-L100 PolarHBondContact O-N 2.95Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L100-L102 PolarHBondContact O-N 2.86Å; L100-L103 PolarHBondContact O-N 3.42Å; L100-A104 WeakPolarHBondContact O-CB 3.03Å; L100-A104 PolarHBondContact O-N 2.92Å; L100-M157 HydrophobicContact CD2-CE 4.31Å; L100-T159 VanDerWaalsContact CD2-O 3.27Å; L100-T159 WeakPolarHBondContact CD2-O 3.21Å; L100-F236 HydrophobicContact CD1-CE2 3.78Å; L100-F236 HydrophobicContact CD1-CZ 3.7Å; L100-L334 HydrophobicContact CB-CD2 4.19Å
101	N	81.3	Confident	76.8	Confident	75 Å²	75	43.6 Å²	43.6	40%	0.401	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-38.8	177.5	-70.7	-20.6	0	0	0	112.4	E97 M98 N105	E97-N101 PolarHBondContact O-N 3.31Å; E97-N101 VanDerWaalsContact O-N 3.07Å; M98-N101 PolarHBondContact O-N 3.04Å; N101-N105 PolarHBondContact O-N 3.38Å
102	L	83.2	Confident	76.7	Confident	11 Å²	11	43.9 Å²	43.9	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-45.6	175.8	175.3	63.4	0	0	0	111.6	W55 V64 M98 L99 L100 H106	W55-L102 HydrophobicContact CB-CD1 3.84Å; W55-L102 VanDerWaalsContact CD1-CD1 3.42Å; W55-L102 HydrophobicContact CD2-CD1 3.37Å; W55-L102 HydrophobicContact CE3-CD1 4.04Å; W55-L102 HydrophobicContact CG-CD1 3.24Å; W55-L102 HydrophobicContact CZ2-CD1 4.42Å; V64-L102 HydrophobicContact CG2-CD2 3.98Å; V64-L102 HydrophobicContact CG2-CG 4.16Å; M98-L102 WeakPolarHBondContact O-CB 3.41Å; M98-L102 PolarHBondContact O-N 2.89Å; L99-L102 HydrophobicContact CD1-CD2 4.43Å; L99-L102 PolarHBondContact O-N 3.31Å; L100-L102 VanDerWaalsContact C-N 3.34Å; L100-L102 PolarHBondContact O-N 2.86Å; L102-H106 PolarHBondContact O-N 2.98Å
103	L	82.8	Confident	77	Confident	16 Å²	16	43.4 Å²	43.4	8%	0.084	28%	0.278	C	S	.	.	H	α-helix	trans	-73.8	-36.2	-177.2	-66.7	170.4	0	0	0	112	V64 L99 L100 N105 H106 V113 M157 T159 V176	V64-L103 HydrophobicContact CG1-CD2 4.4Å; V64-L103 HydrophobicContact CG2-CD2 4.19Å; L99-L103 HydrophobicContact CD1-CD1 3.99Å; L99-L103 HydrophobicContact CD1-CG 4.23Å; L99-L103 HydrophobicContact CG-CD1 3.91Å; L99-L103 WeakPolarHBondContact O-CB 3.02Å; L99-L103 WeakPolarHBondContact O-CG 3.26Å; L99-L103 PolarHBondContact O-N 3.25Å; L100-L103 PolarHBondContact O-N 3.42Å; L103-N105 VanDerWaalsContact C-N 3.27Å; L103-N105 PolarHBondContact O-N 2.74Å; L103-H106 PolarHBondContact O-N 3.39Å; L103-H106 VanDerWaalsContact O-N 3.1Å; L103-V113 HydrophobicContact CD1-CG1 4.25Å; L103-V113 HydrophobicContact CD1-CG2 3.87Å; L103-V113 HydrophobicContact CD2-CG1 3.97Å; L103-M157 HydrophobicContact CD1-CE 3.65Å; L103-T159 HydrophobicContact CD1-CG2 3.85Å; L103-V176 HydrophobicContact CD2-CG2 4.3Å
104	A	75.8	Confident	77.4	Confident	53 Å²	53	41.7 Å²	41.7	44%	0.438	27%	0.269	S	S	.	.	H	α-helix	trans	-61	-35.6	175.3	0	0	0	0	0	112.6	L100 H106	L100-A104 WeakPolarHBondContact O-CB 3.03Å; L100-A104 PolarHBondContact O-N 2.92Å; A104-H106 VanDerWaalsContact C-N 3.32Å
105	N	69.9	Low	77.9	Confident	104 Å²	104	41.3 Å²	41.3	56%	0.556	27%	0.266	S	S	*	.	H	α-helix	trans	-78.5	-16.9	178.1	-158.3	15.7	0	0	0	112.8	N101 L103 S107	N101-N105 PolarHBondContact O-N 3.38Å; L103-N105 VanDerWaalsContact C-N 3.27Å; L103-N105 PolarHBondContact O-N 2.74Å; N105-S107 PolarHBondContact O-N 2.03Å
106	H	67.8	Low	78.2	Confident	87 Å²	87	40.2 Å²	40.2	40%	0.403	26%	0.262	S	S	.	.	S	Bend	trans	-83.2	105.4	178.4	-143.1	71.1	0	0	0	109.6	L102 L103 A104 G108	L102-H106 PolarHBondContact O-N 2.98Å; L103-H106 PolarHBondContact O-N 3.39Å; L103-H106 VanDerWaalsContact O-N 3.1Å; A104-H106 VanDerWaalsContact C-N 3.32Å; H106-G108 PolarHBondContact O-N 3.23Å
107	S	50.2	Low	78.5	Confident	130 Å²	130	40.2 Å²	40.2	91%	0.909	26%	0.262	S	S	*	.			trans	-71.4	51.6	-167.4	-33.5	0	0	0	0	115	N105	N105-S107 PolarHBondContact O-N 2.03Å
108	G	54.1	Low	78.7	Confident	49 Å²	49	41.9 Å²	41.9	51%	0.505	27%	0.266	S	S	.	.	S	Bend	trans	-120.2	-1.8	-169.2	0	0	0	0	0	117.1	H106 V110	H106-G108 PolarHBondContact O-N 3.23Å; G108-V110 PolarHBondContact O-N 2.9Å; G108-V110 VanDerWaalsContact O-N 3.11Å
109	G	56.7	Low	78.8	Confident	76 Å²	76	42 Å²	42	78%	0.784	27%	0.266	S	S	*	.			trans	56.8	26.5	-176	0	0	0	0	0	113.4	T111	G109-T111 PolarHBondContact O-N 2.97Å
110	V	63.3	Low	78.7	Confident	50 Å²	50	42.3 Å²	42.3	30%	0.303	27%	0.269	S	S	.	.			trans	-74.1	114.5	-178.8	177.1	0	0	0	0	108.2	G108 E112 V113 T159 P174	G108-V110 PolarHBondContact O-N 2.9Å; G108-V110 VanDerWaalsContact O-N 3.11Å; V110-E112 WeakPolarHBondContact CG1-O 3.38Å; V110-V113 HydrophobicContact CG1-CG1 3.64Å; V110-T159 HydrophobicContact CG1-CG2 4.47Å; V110-T159 WeakPolarHBondContact O-CB 3.48Å; V110-T159 WeakPolarHBondContact O-CG2 3.37Å; V110-T159 PolarHBondContact O-OG1 2.89Å; V110-P174 HydrophobicContact CG1-CB 4.14Å; V110-P174 HydrophobicContact CG1-CG 3.67Å; V110-P174 HydrophobicContact CG2-CG 4.02Å
111	T	71.4	Confident	78.3	Confident	95 Å²	95	43.6 Å²	43.6	58%	0.583	28%	0.282	S	S	*	.			trans	-85.4	-26.5	-179.2	51.7	0	0	0	0	112.7	G109 T159	G109-T111 PolarHBondContact O-N 2.97Å; T111-T159 WeakPolarHBondContact CA-OG1 3.3Å; T111-T159 PolarHBondContact O-N 3.15Å; T111-T159 PolarHBondContact O-OG1 2.82Å
112	E	86	Confident	77.9	Confident	44 Å²	44	45.8 Å²	45.8	21%	0.206	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	143	-173	-58.3	179.8	143.2	0	0	110.9	V110 K156 M157 H173	V110-E112 WeakPolarHBondContact CG1-O 3.38Å; E112-K156 HydrophobicContact CB-CD 4.3Å; E112-K156 VanDerWaalsContact CD-CE 3.49Å; E112-K156 VanDerWaalsContact OE1-CE 3.3Å; E112-K156 WeakPolarHBondContact OE1-CE 3.28Å; E112-K156 IonicContact OE1-NZ 2.73Å; E112-K156 PolarHBondContact OE1-NZ 2.59Å; E112-K156 VanDerWaalsContact OE2-CE 3.3Å; E112-K156 WeakPolarHBondContact OE2-CE 3.32Å; E112-K156 IonicContact OE2-NZ 2.92Å; E112-K156 PolarHBondContact OE2-NZ 3.35Å; E112-M157 WeakPolarHBondContact CA-O 3.32Å; E112-H173 IonicContact OE2-CE1 3.15Å; E112-H173 PolarHBondContact OE2-CE1 2.92Å; E112-H173 IonicContact OE2-ND1 2.84Å; E112-H173 IonicContact OE2-NE2 2.58Å
113	V	89.9	Confident	77.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.8	177.6	-60.6	0	0	0	0	112.7	L103 V110 K156 M157 T159 P174 V176	L103-V113 HydrophobicContact CD1-CG1 4.25Å; L103-V113 HydrophobicContact CD1-CG2 3.87Å; L103-V113 HydrophobicContact CD2-CG1 3.97Å; V110-V113 HydrophobicContact CG1-CG1 3.64Å; V113-K156 CarbonylContact O-C 3.59Å; V113-K156 VanDerWaalsContact O-CA 3.24Å; V113-K156 WeakPolarHBondContact O-CA 3.38Å; V113-M157 HydrophobicContact CG2-CB 4.19Å; V113-M157 HydrophobicContact CG2-CE 4.01Å; V113-M157 PolarHBondContact N-O 2.9Å; V113-M157 PolarHBondContact O-N 2.62Å; V113-T159 HydrophobicContact CG1-CG2 3.99Å; V113-T159 HydrophobicContact CG2-CG2 4.49Å; V113-P174 CarbonylContact C-O 3.6Å; V113-P174 VanDerWaalsContact CA-O 3.27Å; V113-P174 WeakPolarHBondContact CA-O 3.34Å; V113-P174 HydrophobicContact CG1-CB 4.25Å; V113-V176 HydrophobicContact CG2-CG2 4.49Å
114	W	92.9	Very high	76.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	130.7	171.3	-73.9	131.5	0	0	0	111.7	G71 W73 C154 K156 A167 E171 H173 P174 A175 V176	G71-W114 PolarHBondContact O-NE1 3.31Å; W73-W114 HydrophobicContact CB-CD2 4.18Å; W73-W114 HydrophobicContact CB-CE3 4.47Å; W73-W114 HydrophobicContact CB-CZ2 4.36Å; W73-W114 AromaticContact CD1-CD2 3.87Å; W73-W114 AromaticContact CD1-CE3 3.7Å; W73-W114 HydrophobicContact CG-CD2 4.47Å; W73-W114 HydrophobicContact CG-CE3 4.49Å; W114-C154 HydrophobicContact CE3-CB 4.18Å; W114-C154 HydrophobicContact CH2-CB 3.91Å; W114-C154 HydrophobicContact CZ3-CB 3.55Å; W114-K156 HydrophobicContact CE3-CB 3.85Å; W114-K156 HydrophobicContact CZ3-CB 3.88Å; W114-A167 HydrophobicContact CH2-CB 3.88Å; W114-A167 HydrophobicContact CZ3-CB 4.23Å; W114-E171 HydrophobicContact CH2-CB 4.37Å; W114-E171 HydrophobicContact CZ2-CB 3.91Å; W114-E171 WeakPolarHBondContact CZ2-O 3.39Å; W114-E171 PolarHBondContact NE1-O 3.47Å; W114-H173 VanDerWaalsContact CD1-O 3.22Å; W114-H173 HydrophobicContact CD2-CB 4.34Å; W114-H173 AromaticContact CE2-CD2 3.77Å; W114-H173 HydrophobicContact CG-CB 4.14Å; W114-H173 AromaticContact CZ2-CD2 3.67Å; W114-P174 PolarHBondContact N-O 2.77Å; W114-A175 HydrophobicContact CB-CB 3.86Å; W114-V176 PolarHBondContact O-N 2.77Å
115	I	93.5	Very high	76.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	165.9	169.1	62.9	169.6	0	0	0	110.5	W73 I88 L117 W128 V155 M157 W164	W73-I115 PolarHBondContact NE1-O 2.84Å; I88-I115 HydrophobicContact CG2-CB 4.04Å; I88-I115 HydrophobicContact CG2-CG2 3.86Å; I115-L117 HydrophobicContact CD1-CB 4.08Å; I115-L117 HydrophobicContact CG1-CB 4.23Å; I115-L117 PolarHBondContact O-N 2.89Å; I115-L117 VanDerWaalsContact O-N 3.11Å; I115-W128 HydrophobicContact CB-CZ3 4.46Å; I115-W128 HydrophobicContact CD1-CH2 4.03Å; I115-W128 HydrophobicContact CD1-CZ3 4.19Å; I115-W128 HydrophobicContact CG1-CZ3 4.49Å; I115-V155 HydrophobicContact CD1-CB 4.27Å; I115-V155 HydrophobicContact CD1-CG1 3.73Å; I115-V155 HydrophobicContact CG1-CB 4.06Å; I115-V155 HydrophobicContact CG1-CG1 3.96Å; I115-V155 VanDerWaalsContact CG1-O 3.31Å; I115-V155 WeakPolarHBondContact CG1-O 3.38Å; I115-V155 PolarHBondContact N-O 2.75Å; I115-M157 HydrophobicContact CG2-CB 3.93Å; I115-W164 HydrophobicContact CD1-CD2 4.22Å; I115-W164 HydrophobicContact CD1-CG 4.29Å
116	G	92.8	Very high	77.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	4.4	-175.2	0	0	0	0	0	115.7	L87 I88 W128 S129	L87-G116 VanDerWaalsContact CB-CA 3.42Å; I88-G116 WeakPolarHBondContact O-CA 3.46Å; I88-G116 PolarHBondContact O-N 2.86Å; G116-W128 VanDerWaalsContact C-CE3 3.49Å; G116-S129 WeakPolarHBondContact O-CB 3.29Å; G116-S129 PolarHBondContact O-N 3.09Å; G116-S129 PolarHBondContact O-OG 3.48Å
117	L	92.6	Very high	78.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	133.8	-179.4	-167.7	68.7	0	0	0	110.1	I115 V126 W128 V134 W139 V155 W164	I115-L117 HydrophobicContact CD1-CB 4.08Å; I115-L117 HydrophobicContact CG1-CB 4.23Å; I115-L117 PolarHBondContact O-N 2.89Å; I115-L117 VanDerWaalsContact O-N 3.11Å; L117-V126 HydrophobicContact CD1-CB 3.96Å; L117-V126 HydrophobicContact CD1-CG2 3.99Å; L117-V126 HydrophobicContact CD2-CB 4.39Å; L117-V126 HydrophobicContact CD2-CG2 4.18Å; L117-V126 HydrophobicContact CG-CB 4.05Å; L117-V126 HydrophobicContact CG-CG2 4.27Å; L117-W128 HydrophobicContact CB-CD2 4.29Å; L117-W128 HydrophobicContact CB-CE3 3.71Å; L117-W128 HydrophobicContact CB-CH2 3.93Å; L117-W128 HydrophobicContact CB-CZ2 4.48Å; L117-W128 HydrophobicContact CB-CZ3 3.52Å; L117-W128 HydrophobicContact CD1-CD2 3.79Å; L117-W128 HydrophobicContact CD1-CE3 4.1Å; L117-W128 HydrophobicContact CD1-CG 4.15Å; L117-W128 HydrophobicContact CD1-CZ2 4.25Å; L117-W128 HydrophobicContact CD1-CZ3 4.46Å; L117-V134 HydrophobicContact CD1-CG2 4.04Å; L117-W139 HydrophobicContact CD2-CH2 4.33Å; L117-W139 HydrophobicContact CD2-CZ2 4.36Å; L117-V155 HydrophobicContact CB-CB 3.95Å; L117-V155 HydrophobicContact CB-CG2 3.95Å; L117-V155 HydrophobicContact CD2-CB 4.39Å; L117-V155 HydrophobicContact CD2-CG1 4.33Å; L117-V155 HydrophobicContact CD2-CG2 3.94Å; L117-V155 HydrophobicContact CG-CB 4.4Å; L117-V155 HydrophobicContact CG-CG2 3.88Å; L117-V155 WeakPolarHBondContact O-CB 3.47Å; L117-V155 WeakPolarHBondContact O-CG2 3.11Å; L117-V155 PolarHBondContact O-N 2.93Å; L117-V155 VanDerWaalsContact O-N 3.1Å; L117-W164 HydrophobicContact CD2-CD2 4.44Å; L117-W164 HydrophobicContact CD2-CE3 3.5Å; L117-W164 VanDerWaalsContact CD2-CE3 3.5Å; L117-W164 HydrophobicContact CD2-CH2 4.34Å; L117-W164 HydrophobicContact CD2-CZ3 3.42Å; L117-W164 VanDerWaalsContact CD2-CZ3 3.42Å
118	W	90.6	Very high	80.9	Confident	67 Å²	67	42.6 Å²	42.6	25%	0.254	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	158.7	178.9	75.6	-61.5	0	0	0	111.4	W73 P120 V126 E127	W73-W118 HydrophobicContact CH2-CB 4.16Å; W73-W118 AromaticContact CH2-CD1 3.98Å; W73-W118 HydrophobicContact CH2-CD2 4.36Å; W73-W118 AromaticContact CH2-CG 3.89Å; W73-W118 HydrophobicContact CH2-CG 3.89Å; W73-W118 HydrophobicContact CZ2-CB 3.89Å; W73-W118 HydrophobicContact CZ2-CG 4.05Å; W118-P120 HydrophobicContact CH2-CB 3.8Å; W118-P120 HydrophobicContact CH2-CG 3.97Å; W118-P120 HydrophobicContact CZ2-CB 4.25Å; W118-P120 HydrophobicContact CZ2-CG 3.9Å; W118-P120 HydrophobicContact CZ3-CB 4.02Å; W118-P120 HydrophobicContact CZ3-CG 4.32Å; W118-V126 CarbonylContact O-C 3.56Å; W118-V126 WeakPolarHBondContact O-CA 3.41Å; W118-E127 WeakPolarHBondContact CZ2-OE1 3.27Å; W118-E127 PolarHBondContact N-O 2.79Å; W118-E127 PolarHBondContact NE1-OE1 2.91Å; W118-E127 PolarHBondContact O-N 2.94Å
119	K	88	Confident	82.7	Confident	21 Å²	21	42.1 Å²	42.1	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	114.2	174	-174.9	-164.4	171.5	-169.5	0	108.9	S123 V126 L148 S152 L153	K119-S123 WeakPolarHBondContact CE-O 3.08Å; K119-V126 HydrophobicContact CB-CG1 4.18Å; K119-L148 HydrophobicContact CD-CD1 4.22Å; K119-L148 VanDerWaalsContact NZ-CB 3.29Å; K119-S152 VanDerWaalsContact O-CA 3.26Å; K119-S152 WeakPolarHBondContact O-CA 3.48Å; K119-L153 HydrophobicContact CB-CB 4.28Å; K119-L153 PolarHBondContact N-O 2.82Å; K119-L153 PolarHBondContact O-N 3.02Å; K119-L153 VanDerWaalsContact O-N 3.11Å
120	P	85.2	Confident	84.2	Confident	7 Å²	7	40.3 Å²	40.3	5%	0.045	25%	0.249	C	C	.	.			trans	-67.9	141.4	170.5	-12.1	26.2	0	0	0	110.6	W118 S122 S123 G125 E127	W118-P120 HydrophobicContact CH2-CB 3.8Å; W118-P120 HydrophobicContact CH2-CG 3.97Å; W118-P120 HydrophobicContact CZ2-CB 4.25Å; W118-P120 HydrophobicContact CZ2-CG 3.9Å; W118-P120 HydrophobicContact CZ3-CB 4.02Å; W118-P120 HydrophobicContact CZ3-CG 4.32Å; P120-S122 PolarHBondContact O-N 3.2Å; P120-S122 VanDerWaalsContact O-N 3.15Å; P120-S123 PolarHBondContact O-N 3.1Å; P120-S123 VanDerWaalsContact O-N 3.11Å; P120-G125 WeakPolarHBondContact CD-O 3.1Å; P120-E127 VanDerWaalsContact CG-CD 3.49Å; P120-E127 HydrophobicContact CG-CG 3.9Å; P120-E127 WeakPolarHBondContact CG-OE1 3.38Å
121	G	76.6	Confident	85.3	Confident	30 Å²	30	41.2 Å²	41.2	31%	0.309	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.1	175	0	0	0	0	0	114	D150	G121-D150 WeakPolarHBondContact CA-O 3.32Å
122	S	73	Confident	86	Confident	121 Å²	121	38.4 Å²	38.4	85%	0.846	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.4	177.8	57.9	0	0	0	0	114.5	P120	P120-S122 PolarHBondContact O-N 3.2Å; P120-S122 VanDerWaalsContact O-N 3.15Å
123	S	71.6	Confident	86.1	Confident	41 Å²	41	40.7 Å²	40.7	29%	0.287	27%	0.271	S	S	.	.			trans	-125.6	139.7	-175.1	-177.7	0	0	0	0	110.6	K119 P120 G125	K119-S123 WeakPolarHBondContact CE-O 3.08Å; P120-S123 PolarHBondContact O-N 3.1Å; P120-S123 VanDerWaalsContact O-N 3.11Å; S123-G125 PolarHBondContact O-N 3.28Å; S123-G125 PolarHBondContact OG-N 2.71Å
124	P	71.1	Confident	86	Confident	126 Å²	126	43.4 Å²	43.4	82%	0.818	29%	0.288	S	S	*	.	S	Bend	trans	-72.6	-15.4	173	30.3	-34.5	0	0	0	112.8
125	G	78.6	Confident	85.6	Confident	32 Å²	32	48 Å²	48	33%	0.33	32%	0.316	S	S	.	.	S	Bend	trans	-108.6	172	-175.2	0	0	0	0	0	114.6	P120 S123	P120-G125 WeakPolarHBondContact CD-O 3.1Å; S123-G125 PolarHBondContact O-N 3.28Å; S123-G125 PolarHBondContact OG-N 2.71Å
126	V	87.1	Confident	85.1	Confident	39 Å²	39	49.6 Å²	49.6	24%	0.236	32%	0.324	C	S	.	.			trans	-95.5	151	174.3	-65.8	0	0	0	0	111.6	L117 W118 K119 W139	L117-V126 HydrophobicContact CD1-CB 3.96Å; L117-V126 HydrophobicContact CD1-CG2 3.99Å; L117-V126 HydrophobicContact CD2-CB 4.39Å; L117-V126 HydrophobicContact CD2-CG2 4.18Å; L117-V126 HydrophobicContact CG-CB 4.05Å; L117-V126 HydrophobicContact CG-CG2 4.27Å; W118-V126 CarbonylContact O-C 3.56Å; W118-V126 WeakPolarHBondContact O-CA 3.41Å; K119-V126 HydrophobicContact CB-CG1 4.18Å; V126-W139 HydrophobicContact CG1-CH2 4Å; V126-W139 HydrophobicContact CG1-CZ2 3.93Å; V126-W139 HydrophobicContact CG2-CZ2 4.1Å
127	E	91.3	Very high	84.8	Confident	88 Å²	88	53.1 Å²	53.1	41%	0.411	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	152.2	177.3	64.4	-176.1	-159.9	0	0	111.5	W118 P120	W118-E127 WeakPolarHBondContact CZ2-OE1 3.27Å; W118-E127 PolarHBondContact N-O 2.79Å; W118-E127 PolarHBondContact NE1-OE1 2.91Å; W118-E127 PolarHBondContact O-N 2.94Å; P120-E127 VanDerWaalsContact CG-CD 3.49Å; P120-E127 HydrophobicContact CG-CG 3.9Å; P120-E127 WeakPolarHBondContact CG-OE1 3.38Å
128	W	93.3	Very high	84.5	Confident	8 Å²	8	54.6 Å²	54.6	3%	0.03	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	137.5	175.8	-68.4	112	0	0	0	111.3	I88 L90 I115 G116 L117 D130 G131 S132 V134 W164	I88-W128 VanDerWaalsContact O-CZ3 3.26Å; I88-W128 WeakPolarHBondContact O-CZ3 3.38Å; L90-W128 HydrophobicContact CB-CH2 3.82Å; L90-W128 HydrophobicContact CB-CZ2 4.01Å; L90-W128 HydrophobicContact CG-CH2 4.21Å; L90-W128 VanDerWaalsContact N-CZ2 3.29Å; L90-W128 VanDerWaalsContact O-CZ2 3.25Å; L90-W128 WeakPolarHBondContact O-CZ2 3.42Å; I115-W128 HydrophobicContact CB-CZ3 4.46Å; I115-W128 HydrophobicContact CD1-CH2 4.03Å; I115-W128 HydrophobicContact CD1-CZ3 4.19Å; I115-W128 HydrophobicContact CG1-CZ3 4.49Å; G116-W128 VanDerWaalsContact C-CE3 3.49Å; L117-W128 HydrophobicContact CB-CD2 4.29Å; L117-W128 HydrophobicContact CB-CE3 3.71Å; L117-W128 HydrophobicContact CB-CH2 3.93Å; L117-W128 HydrophobicContact CB-CZ2 4.48Å; L117-W128 HydrophobicContact CB-CZ3 3.52Å; L117-W128 HydrophobicContact CD1-CD2 3.79Å; L117-W128 HydrophobicContact CD1-CE3 4.1Å; L117-W128 HydrophobicContact CD1-CG 4.15Å; L117-W128 HydrophobicContact CD1-CZ2 4.25Å; L117-W128 HydrophobicContact CD1-CZ3 4.46Å; W128-D130 WeakPolarHBondContact CB-OD1 3.45Å; W128-D130 PolarHBondContact O-N 3.14Å; W128-D130 VanDerWaalsContact O-N 3.16Å; W128-G131 PolarHBondContact O-N 3.06Å; W128-G131 VanDerWaalsContact O-N 3.09Å; W128-S132 VanDerWaalsContact CD1-O 3.31Å; W128-V134 HydrophobicContact CG-CG2 4.47Å; W128-W164 HydrophobicContact CH2-CH2 4.2Å; W128-W164 HydrophobicContact CH2-CZ2 4.37Å; W128-W164 AromaticContact CZ2-CH2 3.85Å; W128-W164 HydrophobicContact CZ2-CH2 3.85Å; W128-W164 HydrophobicContact CZ2-CZ2 4.38Å; W128-W164 HydrophobicContact CZ2-CZ3 4.49Å
129	S	91.6	Very high	84.2	Confident	40 Å²	40	54.1 Å²	54.1	28%	0.28	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.8	179.3	65.1	0	0	0	0	114.6	G116	G116-S129 WeakPolarHBondContact O-CB 3.29Å; G116-S129 PolarHBondContact O-N 3.09Å; G116-S129 PolarHBondContact O-OG 3.48Å
130	D	87.3	Confident	83.8	Confident	38 Å²	38	55.3 Å²	55.3	20%	0.203	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-10.8	177.5	68.9	-14.1	0	0	0	113.9	K86 S89 W128 S132	K86-D130 HydrophobicContact CB-CB 4.42Å; K86-D130 HydrophobicContact CD-CB 3.54Å; K86-D130 PolarHBondContact NZ-O 3.37Å; S89-D130 WeakPolarHBondContact CB-OD2 3.43Å; S89-D130 PolarHBondContact OG-OD2 2.95Å; W128-D130 WeakPolarHBondContact CB-OD1 3.45Å; W128-D130 PolarHBondContact O-N 3.14Å; W128-D130 VanDerWaalsContact O-N 3.16Å; D130-S132 WeakPolarHBondContact OD1-CB 3.36Å; D130-S132 PolarHBondContact OD1-N 3.35Å; D130-S132 PolarHBondContact OD1-OG 3.09Å; D130-S132 PolarHBondContact OD2-OG 3.11Å
131	G	86.4	Confident	83.3	Confident	68 Å²	68	59.8 Å²	59.8	70%	0.701	38%	0.38	S	S	*	.			trans	89.5	4.4	-175.7	0	0	0	0	0	114.6	W128	W128-G131 PolarHBondContact O-N 3.06Å; W128-G131 VanDerWaalsContact O-N 3.09Å
132	S	87.8	Confident	82.8	Confident	36 Å²	36	62.4 Å²	62.4	25%	0.252	38%	0.38	S	S	.	.			trans	-65.1	148.4	177.2	-66.3	0	0	0	0	111.5	W128 D130	W128-S132 VanDerWaalsContact CD1-O 3.31Å; D130-S132 WeakPolarHBondContact OD1-CB 3.36Å; D130-S132 PolarHBondContact OD1-N 3.35Å; D130-S132 PolarHBondContact OD1-OG 3.09Å; D130-S132 PolarHBondContact OD2-OG 3.11Å
133	P	87.6	Confident	82.7	Confident	93 Å²	93	59.1 Å²	59.1	60%	0.604	35%	0.352	S	S	*	.			trans	-70.3	142.7	176.1	29.6	-34.1	0	0	0	111.1	T135	P133-T135 HydrophobicContact CB-CG2 4.4Å; P133-T135 HydrophobicContact CG-CG2 4.32Å; P133-T135 PolarHBondContact O-N 3Å
134	V	86.9	Confident	82.6	Confident	56 Å²	56	60.3 Å²	60.3	34%	0.339	36%	0.358	S	S	.	.			trans	-81.3	98.6	172.7	-176.2	0	0	0	0	108.4	L117 W128 T137	L117-V134 HydrophobicContact CD1-CG2 4.04Å; W128-V134 HydrophobicContact CG-CG2 4.47Å; V134-T137 HydrophobicContact CG1-CG2 3.82Å
135	T	84.5	Confident	82.4	Confident	98 Å²	98	57.6 Å²	57.6	60%	0.601	34%	0.339	S	S	*	.			trans	-102	-22.6	179.6	49.1	0	0	0	0	113.5	C91 P133	C91-T135 PolarHBondContact O-OG1 3.35Å; C91-T135 VanDerWaalsContact O-OG1 3.12Å; P133-T135 HydrophobicContact CB-CG2 4.4Å; P133-T135 HydrophobicContact CG-CG2 4.32Å; P133-T135 PolarHBondContact O-N 3Å
136	L	84.3	Confident	81.3	Confident	32 Å²	32	59.2 Å²	59.2	17%	0.168	34%	0.344	C	S	.	.			trans	-129	141.4	-177.9	176.7	67.3	0	0	0	108.7	L93 V96 L138 W164	L93-L136 HydrophobicContact CD2-CD1 4.22Å; L93-L136 HydrophobicContact CD2-CD2 4.11Å; V96-L136 HydrophobicContact CG2-CD2 4.05Å; L136-L138 HydrophobicContact CD1-CD2 4.25Å; L136-L138 HydrophobicContact CD1-CG 4.23Å; L136-L138 HydrophobicContact CD2-CD1 4.08Å; L136-L138 HydrophobicContact CD2-CG 4.31Å; L136-L138 HydrophobicContact CG-CD1 4.48Å; L136-L138 HydrophobicContact CG-CG 4.17Å; L136-W164 WeakPolarHBondContact O-CH2 3.24Å; L136-W164 WeakPolarHBondContact O-CZ3 3.43Å
137	T	85.3	Confident	79.9	Confident	75 Å²	75	64.4 Å²	64.4	46%	0.46	37%	0.371	S	S	.	.			trans	-136.9	122.8	171	55.4	0	0	0	0	110.2	V134 W164	V134-T137 HydrophobicContact CG1-CG2 3.82Å; T137-W164 HydrophobicContact CG2-CZ3 4.19Å
138	L	85.7	Confident	78.2	Confident	30 Å²	30	62.7 Å²	62.7	16%	0.157	36%	0.364	C	S	.	.			trans	-118.3	58.3	-179.5	-66	172.2	0	0	0	110.2	L93 V96 L136 N163 W164	L93-L138 HydrophobicContact CD2-CD1 4.42Å; V96-L138 HydrophobicContact CB-CD1 4.39Å; V96-L138 HydrophobicContact CG1-CD1 3.93Å; V96-L138 HydrophobicContact CG2-CD1 3.76Å; L136-L138 HydrophobicContact CD1-CD2 4.25Å; L136-L138 HydrophobicContact CD1-CG 4.23Å; L136-L138 HydrophobicContact CD2-CD1 4.08Å; L136-L138 HydrophobicContact CD2-CG 4.31Å; L136-L138 HydrophobicContact CG-CD1 4.48Å; L136-L138 HydrophobicContact CG-CG 4.17Å; L138-N163 CarbonylContact O-C 3.58Å; L138-N163 VanDerWaalsContact O-CA 3.32Å; L138-N163 WeakPolarHBondContact O-CA 3.45Å; L138-W164 HydrophobicContact CB-CD2 4.34Å; L138-W164 HydrophobicContact CB-CZ2 4.42Å; L138-W164 WeakPolarHBondContact O-CB 3.27Å; L138-W164 PolarHBondContact O-N 3.43Å
139	W	85.5	Confident	76.4	Confident	58 Å²	58	67.2 Å²	67.2	22%	0.22	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-64.9	145.8	-179.9	-65.1	108.5	0	0	0	111.9	L117 V126 Q143 V155 W164 L166	L117-W139 HydrophobicContact CD2-CH2 4.33Å; L117-W139 HydrophobicContact CD2-CZ2 4.36Å; V126-W139 HydrophobicContact CG1-CH2 4Å; V126-W139 HydrophobicContact CG1-CZ2 3.93Å; V126-W139 HydrophobicContact CG2-CZ2 4.1Å; W139-Q143 HydrophobicContact CB-CB 4.46Å; W139-Q143 HydrophobicContact CE3-CB 4.44Å; W139-V155 HydrophobicContact CH2-CG1 4.44Å; W139-V155 HydrophobicContact CH2-CG2 3.78Å; W139-V155 HydrophobicContact CZ3-CG1 4.16Å; W139-V155 HydrophobicContact CZ3-CG2 4.13Å; W139-W164 HydrophobicContact CD2-CB 4.38Å; W139-W164 HydrophobicContact CE3-CB 3.78Å; W139-W164 HydrophobicContact CZ3-CB 4.05Å; W139-L166 HydrophobicContact CH2-CD2 4Å; W139-L166 HydrophobicContact CH2-CG 4.05Å; W139-L166 HydrophobicContact CZ3-CD1 4.48Å; W139-L166 HydrophobicContact CZ3-CD2 4.13Å; W139-L166 HydrophobicContact CZ3-CG 3.76Å
140	D	80.3	Confident	74.9	Confident	45 Å²	45	72.3 Å²	72.3	24%	0.241	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-69	161.6	170.4	-162.3	33.7	0	0	0	112	Y142 Q143 N163 W164 L165	D140-Y142 PolarHBondContact O-N 3.24Å; D140-Q143 HydrophobicContact CB-CG 4.3Å; D140-Q143 WeakPolarHBondContact O-CB 3.37Å; D140-Q143 PolarHBondContact O-N 3.28Å; D140-N163 HydrophobicContact CB-CB 3.88Å; D140-N163 PolarHBondContact OD1-ND2 2.81Å; D140-W164 PolarHBondContact N-O 3.06Å; D140-L165 HydrophobicContact CB-CD2 3.54Å; D140-L165 HydrophobicContact CB-CG 4.25Å
141	Q	72.7	Confident	74.2	Confident	102 Å²	102	72.8 Å²	72.8	48%	0.477	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	134.9	179.8	-71.1	-176.6	0.4	0	0	110.9	Q143	Q141-Q143 PolarHBondContact O-N 2.58Å
142	Y	67.9	Low	74	Confident	84 Å²	84	72.5 Å²	72.5	33%	0.329	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	12.9	-177.9	-46.8	-78.7	0	0	0	115.7	M1 P2 D140 D377	M1-Y142 HydrophobicContact SD-CD1 3.93Å; M1-Y142 HydrophobicContact SD-CE1 3.23Å; M1-Y142 WeakPolarHBondContact SD-CE1 3.27Å; P2-Y142 HydrophobicContact CG-CD1 4.49Å; D140-Y142 PolarHBondContact O-N 3.24Å; Y142-D377 PolarHBondContact OH-OD2 2.95Å
143	Q	70.6	Confident	74	Confident	53 Å²	53	71.7 Å²	71.7	25%	0.248	40%	0.403	C	S	.	.			trans	-106.9	148.3	170	-64.9	-72.7	-21.3	0	0	110.8	W139 D140 Q141 L165	W139-Q143 HydrophobicContact CB-CB 4.46Å; W139-Q143 HydrophobicContact CE3-CB 4.44Å; D140-Q143 HydrophobicContact CB-CG 4.3Å; D140-Q143 WeakPolarHBondContact O-CB 3.37Å; D140-Q143 PolarHBondContact O-N 3.28Å; Q141-Q143 PolarHBondContact O-N 2.58Å; Q143-L165 HydrophobicContact CG-CD2 4.02Å
144	P	68.8	Low	74.2	Confident	65 Å²	65	67.3 Å²	67.3	42%	0.422	38%	0.375	S	S	.	.	S	Bend	cis	-75.2	146.2	-3.4	31.6	-35.9	0	0	0	113.1	L148 L166	P144-L148 HydrophobicContact CB-CD1 4.22Å; P144-L166 HydrophobicContact CB-CD1 3.42Å; P144-L166 VanDerWaalsContact CB-CD1 3.42Å
145	V	66.8	Low	74.4	Confident	69 Å²	69	64.7 Å²	64.7	42%	0.418	36%	0.359	S	S	.	.			trans	-63.2	139.7	-179.8	-169.9	0	0	0	0	110.8	N147 L148	V145-N147 VanDerWaalsContact C-N 3.34Å; V145-N147 PolarHBondContact O-N 3.4Å; V145-L148 HydrophobicContact CB-CD2 4.39Å; V145-L148 VanDerWaalsContact O-CG 3.24Å; V145-L148 WeakPolarHBondContact O-CG 3.44Å
146	P	56.6	Low	74.7	Confident	67 Å²	67	61 Å²	61	44%	0.435	33%	0.334	S	S	.	.	S	Bend	trans	-67.8	-22.8	-171.2	-22.4	33	0	0	0	116.3
147	N	56	Low	75	Confident	148 Å²	148	59.4 Å²	59.4	79%	0.791	33%	0.326	S	S	*	.			trans	-107.7	55.7	-175	-78.3	-11.7	0	0	0	111.9	V145 T149	V145-N147 VanDerWaalsContact C-N 3.34Å; V145-N147 PolarHBondContact O-N 3.4Å; N147-T149 PolarHBondContact O-N 2.76Å
148	L	57.2	Low	75	Confident	52 Å²	52	58.3 Å²	58.3	27%	0.272	32%	0.316	S	S	.	.			trans	-79.6	102.5	171.7	-54.9	167.1	0	0	0	107.5	K119 P144 V145 L153 L166	K119-L148 HydrophobicContact CD-CD1 4.22Å; K119-L148 VanDerWaalsContact NZ-CB 3.29Å; P144-L148 HydrophobicContact CB-CD1 4.22Å; V145-L148 HydrophobicContact CB-CD2 4.39Å; V145-L148 VanDerWaalsContact O-CG 3.24Å; V145-L148 WeakPolarHBondContact O-CG 3.44Å; L148-L153 HydrophobicContact CB-CD1 4.05Å; L148-L153 HydrophobicContact CD1-CD1 4.11Å; L148-L153 HydrophobicContact CD2-CD1 3.23Å; L148-L153 HydrophobicContact CG-CD1 3.92Å; L148-L166 HydrophobicContact CD1-CD1 3.51Å; L148-L166 HydrophobicContact CD2-CD1 4.1Å; L148-L166 HydrophobicContact CG-CD1 4.45Å
149	T	55.4	Low	74.6	Confident	103 Å²	103	58.1 Å²	58.1	63%	0.632	32%	0.316	S	S	*	.			trans	-46.9	161.4	165.7	43.2	0	0	0	0	111.1	N147 S151	N147-T149 PolarHBondContact O-N 2.76Å; T149-S151 PolarHBondContact O-N 3.37Å; T149-S151 PolarHBondContact O-OG 2.82Å; T149-S151 PolarHBondContact OG1-OG 2.85Å
150	D	60.3	Low	74	Confident	147 Å²	147	61.5 Å²	61.5	79%	0.786	33%	0.334	S	S	*	.	S	Bend	trans	-57.8	13.5	175.4	-65.6	-32.4	0	0	0	114.8	G121	G121-D150 WeakPolarHBondContact CA-O 3.32Å
151	S	71.3	Confident	73.6	Confident	47 Å²	47	64.4 Å²	64.4	33%	0.329	35%	0.345	S	S	.	.	S	Bend	trans	-73.5	138.8	172.5	51	0	0	0	0	111.6	T149 L153	T149-S151 PolarHBondContact O-N 3.37Å; T149-S151 PolarHBondContact O-OG 2.82Å; T149-S151 PolarHBondContact OG1-OG 2.85Å; S151-L153 PolarHBondContact O-N 2.67Å
152	S	82.3	Confident	73.9	Confident	62 Å²	62	59.6 Å²	59.6	43%	0.434	32%	0.322	S	S	.	.			trans	-64.2	131.6	167.6	53.4	0	0	0	0	110.7	K119	K119-S152 VanDerWaalsContact O-CA 3.26Å; K119-S152 WeakPolarHBondContact O-CA 3.48Å
153	L	88.4	Confident	74.8	Confident	20 Å²	20	56.8 Å²	56.8	11%	0.105	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.1	177.1	-65.8	171.2	0	0	0	110.2	K119 L148 S151 L166	K119-L153 HydrophobicContact CB-CB 4.28Å; K119-L153 PolarHBondContact N-O 2.82Å; K119-L153 PolarHBondContact O-N 3.02Å; K119-L153 VanDerWaalsContact O-N 3.11Å; L148-L153 HydrophobicContact CB-CD1 4.05Å; L148-L153 HydrophobicContact CD1-CD1 4.11Å; L148-L153 HydrophobicContact CD2-CD1 3.23Å; L148-L153 HydrophobicContact CG-CD1 3.92Å; S151-L153 PolarHBondContact O-N 2.67Å; L153-L166 HydrophobicContact CB-CD2 4.02Å; L153-L166 HydrophobicContact CD1-CD1 4.43Å
154	C	91.4	Very high	75.8	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	153.6	-177.9	-68.4	0	0	0	0	109.3	W73 W114 A167 C169	W73-C154 HydrophobicContact CB-CB 3.91Å; W73-C154 VanDerWaalsContact CB-SG 3.52Å; W73-C154 HydrophobicContact CD2-CB 4.33Å; W73-C154 VanDerWaalsContact CD2-SG 3.52Å; W73-C154 HydrophobicContact CG-CB 3.71Å; W114-C154 HydrophobicContact CE3-CB 4.18Å; W114-C154 HydrophobicContact CH2-CB 3.91Å; W114-C154 HydrophobicContact CZ3-CB 3.55Å; C154-A167 PolarHBondContact N-O 2.82Å; C154-A167 PolarHBondContact O-N 2.88Å; C154-A167 VanDerWaalsContact O-O 3.09Å; C154-C169 HydrophobicContact CB-CB 3.93Å; C154-C169 WeakPolarHBondContact CB-SG 3.44Å; C154-C169 PolarHBondContact N-SG 3Å; C154-C169 WeakPolarHBondContact SG-CB 3.14Å; C154-C169 CovalentContact SG-SG 2.04Å; C154-C169 PolarHBondContact SG-SG 3.21Å
155	V	92	Very high	76.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.6	-175.2	-176.1	0	0	0	0	109.9	I115 L117 W139 W164 L165 L166	I115-V155 HydrophobicContact CD1-CB 4.27Å; I115-V155 HydrophobicContact CD1-CG1 3.73Å; I115-V155 HydrophobicContact CG1-CB 4.06Å; I115-V155 HydrophobicContact CG1-CG1 3.96Å; I115-V155 VanDerWaalsContact CG1-O 3.31Å; I115-V155 WeakPolarHBondContact CG1-O 3.38Å; I115-V155 PolarHBondContact N-O 2.75Å; L117-V155 HydrophobicContact CB-CB 3.95Å; L117-V155 HydrophobicContact CB-CG2 3.95Å; L117-V155 HydrophobicContact CD2-CB 4.39Å; L117-V155 HydrophobicContact CD2-CG1 4.33Å; L117-V155 HydrophobicContact CD2-CG2 3.94Å; L117-V155 HydrophobicContact CG-CB 4.4Å; L117-V155 HydrophobicContact CG-CG2 3.88Å; L117-V155 WeakPolarHBondContact O-CB 3.47Å; L117-V155 WeakPolarHBondContact O-CG2 3.11Å; L117-V155 PolarHBondContact O-N 2.93Å; L117-V155 VanDerWaalsContact O-N 3.1Å; W139-V155 HydrophobicContact CH2-CG1 4.44Å; W139-V155 HydrophobicContact CH2-CG2 3.78Å; W139-V155 HydrophobicContact CZ3-CG1 4.16Å; W139-V155 HydrophobicContact CZ3-CG2 4.13Å; V155-W164 HydrophobicContact CG1-CB 3.75Å; V155-W164 HydrophobicContact CG1-CG 4.22Å; V155-L165 WeakPolarHBondContact CA-O 3.5Å; V155-L166 HydrophobicContact CG2-CD2 3.84Å
156	K	90.8	Very high	77.7	Confident	20 Å²	20	50.2 Å²	50.2	9%	0.087	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	150	168.3	63.9	-173.4	-176.1	176.8	0	109.9	E112 V113 W114 L165 A167 E171	E112-K156 HydrophobicContact CB-CD 4.3Å; E112-K156 VanDerWaalsContact CD-CE 3.49Å; E112-K156 VanDerWaalsContact OE1-CE 3.3Å; E112-K156 WeakPolarHBondContact OE1-CE 3.28Å; E112-K156 IonicContact OE1-NZ 2.73Å; E112-K156 PolarHBondContact OE1-NZ 2.59Å; E112-K156 VanDerWaalsContact OE2-CE 3.3Å; E112-K156 WeakPolarHBondContact OE2-CE 3.32Å; E112-K156 IonicContact OE2-NZ 2.92Å; E112-K156 PolarHBondContact OE2-NZ 3.35Å; V113-K156 CarbonylContact O-C 3.59Å; V113-K156 VanDerWaalsContact O-CA 3.24Å; V113-K156 WeakPolarHBondContact O-CA 3.38Å; W114-K156 HydrophobicContact CE3-CB 3.85Å; W114-K156 HydrophobicContact CZ3-CB 3.88Å; K156-L165 HydrophobicContact CG-CB 3.94Å; K156-L165 PolarHBondContact N-O 2.76Å; K156-L165 PolarHBondContact O-N 2.85Å; K156-A167 HydrophobicContact CD-CB 3.86Å; K156-A167 HydrophobicContact CG-CB 4.23Å; K156-E171 IonicContact NZ-OE2 2.76Å; K156-E171 PolarHBondContact NZ-OE2 2.84Å
157	M	89.8	Confident	79.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.1	179.3	-172.7	-168.9	77	0	0	110	L90 L99 L100 L103 E112 V113 I115 N163	L90-M157 HydrophobicContact CD1-SD 4.26Å; L99-M157 HydrophobicContact CD2-CE 3.37Å; L99-M157 HydrophobicContact CD2-SD 3.52Å; L99-M157 VanDerWaalsContact CD2-SD 3.52Å; L99-M157 HydrophobicContact CG-CE 3.71Å; L99-M157 HydrophobicContact CG-SD 4.4Å; L100-M157 HydrophobicContact CD2-CE 4.31Å; L103-M157 HydrophobicContact CD1-CE 3.65Å; E112-M157 WeakPolarHBondContact CA-O 3.32Å; V113-M157 HydrophobicContact CG2-CB 4.19Å; V113-M157 HydrophobicContact CG2-CE 4.01Å; V113-M157 PolarHBondContact N-O 2.9Å; V113-M157 PolarHBondContact O-N 2.62Å; I115-M157 HydrophobicContact CG2-CB 3.93Å; M157-N163 WeakPolarHBondContact CA-O 3.04Å
158	E	85.2	Confident	80.8	Confident	52 Å²	52	43.4 Å²	43.4	24%	0.243	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.3	170.4	-174.1	-174	-131.9	0	0	110.2	E160 G162 N163	E158-E160 VanDerWaalsContact C-N 3.35Å; E158-E160 PolarHBondContact O-N 3.19Å; E158-G162 WeakPolarHBondContact O-CA 3.5Å; E158-G162 PolarHBondContact O-N 3.12Å; E158-N163 PolarHBondContact N-O 3.5Å
159	T	78.1	Confident	82.3	Confident	26 Å²	26	42 Å²	42	16%	0.16	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.6	-171.8	59.1	0	0	0	0	114.7	L100 L103 V110 T111 V113	L100-T159 VanDerWaalsContact CD2-O 3.27Å; L100-T159 WeakPolarHBondContact CD2-O 3.21Å; L103-T159 HydrophobicContact CD1-CG2 3.85Å; V110-T159 HydrophobicContact CG1-CG2 4.47Å; V110-T159 WeakPolarHBondContact O-CB 3.48Å; V110-T159 WeakPolarHBondContact O-CG2 3.37Å; V110-T159 PolarHBondContact O-OG1 2.89Å; T111-T159 WeakPolarHBondContact CA-OG1 3.3Å; T111-T159 PolarHBondContact O-N 3.15Å; T111-T159 PolarHBondContact O-OG1 2.82Å; V113-T159 HydrophobicContact CG1-CG2 3.99Å; V113-T159 HydrophobicContact CG2-CG2 4.49Å
160	E	72.3	Confident	83.9	Confident	129 Å²	129	43.4 Å²	43.4	60%	0.603	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-53	177.8	-65.8	-170.9	175.4	0	0	112.4	E158	E158-E160 VanDerWaalsContact C-N 3.35Å; E158-E160 PolarHBondContact O-N 3.19Å
161	K	71.8	Confident	85.2	Confident	106 Å²	106	39.7 Å²	39.7	46%	0.461	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-16.4	-176.4	-61.4	-179	-178.7	-178.2	0	113.9	N163 R235	K161-N163 VanDerWaalsContact C-N 3.29Å; K161-R235 PolarHBondContact O-NH2 3.34Å
162	G	79.9	Confident	86	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.218	C	C	.	.			trans	75.1	17	-173.8	0	0	0	0	0	113.9	E158 W164	E158-G162 WeakPolarHBondContact O-CA 3.5Å; E158-G162 PolarHBondContact O-N 3.12Å; G162-W164 PolarHBondContact O-NE1 2.95Å
163	N	86.1	Confident	86.2	Confident	25 Å²	25	40 Å²	40	13%	0.134	20%	0.203	C	C	.	.			trans	-77.9	150	-179.7	-69.9	-1	0	0	0	111.2	L138 D140 M157 E158 K161	L138-N163 CarbonylContact O-C 3.58Å; L138-N163 VanDerWaalsContact O-CA 3.32Å; L138-N163 WeakPolarHBondContact O-CA 3.45Å; D140-N163 HydrophobicContact CB-CB 3.88Å; D140-N163 PolarHBondContact OD1-ND2 2.81Å; M157-N163 WeakPolarHBondContact CA-O 3.04Å; E158-N163 PolarHBondContact N-O 3.5Å; K161-N163 VanDerWaalsContact C-N 3.29Å
164	W	90.6	Very high	86.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.9	-172.9	-58.3	-4.3	0	0	0	110.8	L90 I115 L117 W128 L136 T137 L138 W139 D140 V155 G162	L90-W164 HydrophobicContact CB-CZ2 4.21Å; L90-W164 HydrophobicContact CD1-CZ2 4.19Å; I115-W164 HydrophobicContact CD1-CD2 4.22Å; I115-W164 HydrophobicContact CD1-CG 4.29Å; L117-W164 HydrophobicContact CD2-CD2 4.44Å; L117-W164 HydrophobicContact CD2-CE3 3.5Å; L117-W164 VanDerWaalsContact CD2-CE3 3.5Å; L117-W164 HydrophobicContact CD2-CH2 4.34Å; L117-W164 HydrophobicContact CD2-CZ3 3.42Å; L117-W164 VanDerWaalsContact CD2-CZ3 3.42Å; W128-W164 HydrophobicContact CH2-CH2 4.2Å; W128-W164 HydrophobicContact CH2-CZ2 4.37Å; W128-W164 AromaticContact CZ2-CH2 3.85Å; W128-W164 HydrophobicContact CZ2-CH2 3.85Å; W128-W164 HydrophobicContact CZ2-CZ2 4.38Å; W128-W164 HydrophobicContact CZ2-CZ3 4.49Å; L136-W164 WeakPolarHBondContact O-CH2 3.24Å; L136-W164 WeakPolarHBondContact O-CZ3 3.43Å; T137-W164 HydrophobicContact CG2-CZ3 4.19Å; L138-W164 HydrophobicContact CB-CD2 4.34Å; L138-W164 HydrophobicContact CB-CZ2 4.42Å; L138-W164 WeakPolarHBondContact O-CB 3.27Å; L138-W164 PolarHBondContact O-N 3.43Å; W139-W164 HydrophobicContact CD2-CB 4.38Å; W139-W164 HydrophobicContact CE3-CB 3.78Å; W139-W164 HydrophobicContact CZ3-CB 4.05Å; D140-W164 PolarHBondContact N-O 3.06Å; V155-W164 HydrophobicContact CG1-CB 3.75Å; V155-W164 HydrophobicContact CG1-CG 4.22Å; G162-W164 PolarHBondContact O-NE1 2.95Å
165	L	89.3	Confident	86.3	Confident	26 Å²	26	39.6 Å²	39.6	14%	0.136	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.1	-179.2	-66.4	167	0	0	0	109.5	D140 Q143 V155 K156	D140-L165 HydrophobicContact CB-CD2 3.54Å; D140-L165 HydrophobicContact CB-CG 4.25Å; Q143-L165 HydrophobicContact CG-CD2 4.02Å; V155-L165 WeakPolarHBondContact CA-O 3.5Å; K156-L165 HydrophobicContact CG-CB 3.94Å; K156-L165 PolarHBondContact N-O 2.76Å; K156-L165 PolarHBondContact O-N 2.85Å
166	L	87.7	Confident	86.2	Confident	24 Å²	24	39.6 Å²	39.6	13%	0.126	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	131.2	168.7	-76	171.7	0	0	0	110.1	W139 P144 L148 L153 V155	W139-L166 HydrophobicContact CH2-CD2 4Å; W139-L166 HydrophobicContact CH2-CG 4.05Å; W139-L166 HydrophobicContact CZ3-CD1 4.48Å; W139-L166 HydrophobicContact CZ3-CD2 4.13Å; W139-L166 HydrophobicContact CZ3-CG 3.76Å; P144-L166 HydrophobicContact CB-CD1 3.42Å; P144-L166 VanDerWaalsContact CB-CD1 3.42Å; L148-L166 HydrophobicContact CD1-CD1 3.51Å; L148-L166 HydrophobicContact CD2-CD1 4.1Å; L148-L166 HydrophobicContact CG-CD1 4.45Å; L153-L166 HydrophobicContact CB-CD2 4.02Å; L153-L166 HydrophobicContact CD1-CD1 4.43Å; V155-L166 HydrophobicContact CG2-CD2 3.84Å
167	A	87.8	Confident	86.3	Confident	3 Å²	3	38.6 Å²	38.6	3%	0.025	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	154.3	177.4	0	0	0	0	0	111.3	W114 C154 K156 C169	W114-A167 HydrophobicContact CH2-CB 3.88Å; W114-A167 HydrophobicContact CZ3-CB 4.23Å; C154-A167 PolarHBondContact N-O 2.82Å; C154-A167 PolarHBondContact O-N 2.88Å; C154-A167 VanDerWaalsContact O-O 3.09Å; K156-A167 HydrophobicContact CD-CB 3.86Å; K156-A167 HydrophobicContact CG-CB 4.23Å; A167-C169 PolarHBondContact O-N 2.8Å
168	P	88.7	Confident	86.4	Confident	69 Å²	69	40 Å²	40	45%	0.448	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	131.5	164.4	-22.8	33.1	0	0	0	111	D170 E171	P168-D170 PolarHBondContact O-N 2.66Å; P168-E171 WeakPolarHBondContact CD-OE1 3.42Å; P168-E171 PolarHBondContact O-N 3.08Å; P168-E171 VanDerWaalsContact O-N 3.17Å
169	C	89.4	Confident	86.6	Confident	21 Å²	21	39.9 Å²	39.9	14%	0.142	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.6	-176.5	-63.3	0	0	0	0	114.9	S72 W73 C154 A167	S72-C169 WeakPolarHBondContact CB-O 3.49Å; W73-C169 HydrophobicContact CB-CB 4.35Å; W73-C169 PolarHBondContact N-O 3.02Å; W73-C169 VanDerWaalsContact N-O 3.07Å; C154-C169 HydrophobicContact CB-CB 3.93Å; C154-C169 WeakPolarHBondContact CB-SG 3.44Å; C154-C169 PolarHBondContact N-SG 3Å; C154-C169 WeakPolarHBondContact SG-CB 3.14Å; C154-C169 CovalentContact SG-SG 2.04Å; C154-C169 PolarHBondContact SG-SG 3.21Å; A167-C169 PolarHBondContact O-N 2.8Å
170	D	88.1	Confident	87	Confident	134 Å²	134	45.7 Å²	45.7	72%	0.717	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.9	-179.1	-57.5	-42.3	0	0	0	113	P168 Q172	P168-D170 PolarHBondContact O-N 2.66Å; D170-Q172 PolarHBondContact O-NE2 3.09Å; D170-Q172 VanDerWaalsContact O-NE2 3.09Å
171	E	88.9	Confident	87.4	Confident	68 Å²	68	40.4 Å²	40.4	32%	0.318	20%	0.202	S	C	.	.	S	Bend	trans	-58.1	149.9	172	-70.6	-173	-165.3	0	0	111	W114 K156 P168 H173	W114-E171 HydrophobicContact CH2-CB 4.37Å; W114-E171 HydrophobicContact CZ2-CB 3.91Å; W114-E171 WeakPolarHBondContact CZ2-O 3.39Å; W114-E171 PolarHBondContact NE1-O 3.47Å; K156-E171 IonicContact NZ-OE2 2.76Å; K156-E171 PolarHBondContact NZ-OE2 2.84Å; P168-E171 WeakPolarHBondContact CD-OE1 3.42Å; P168-E171 PolarHBondContact O-N 3.08Å; P168-E171 VanDerWaalsContact O-N 3.17Å; E171-H173 IonicContact OE2-CD2 3.53Å; E171-H173 IonicContact OE2-CE1 3.61Å; E171-H173 IonicContact OE2-NE2 3.57Å; E171-H173 PolarHBondContact OE2-NE2 3.09Å
172	Q	88	Confident	87.3	Confident	91 Å²	91	43.6 Å²	43.6	43%	0.425	22%	0.218	S	C	.	.			trans	-102.9	115.3	-177.1	-55.8	-68.5	-65.7	0	0	108.5	G71 D170	G71-Q172 VanDerWaalsContact C-OE1 3.32Å; G71-Q172 WeakPolarHBondContact O-CA 3.47Å; D170-Q172 PolarHBondContact O-NE2 3.09Å; D170-Q172 VanDerWaalsContact O-NE2 3.09Å
173	H	87	Confident	86.3	Confident	26 Å²	26	46.8 Å²	46.8	12%	0.12	24%	0.241	C	C	.	.			trans	-144	150.9	178.8	-64.8	-74.1	0	0	0	110.4	S70 G71 E112 W114 E171	S70-H173 WeakPolarHBondContact CB-O 3.46Å; S70-H173 PolarHBondContact OG-O 3.28Å; G71-H173 PolarHBondContact O-N 2.9Å; E112-H173 IonicContact OE2-CE1 3.15Å; E112-H173 PolarHBondContact OE2-CE1 2.92Å; E112-H173 IonicContact OE2-ND1 2.84Å; E112-H173 IonicContact OE2-NE2 2.58Å; W114-H173 VanDerWaalsContact CD1-O 3.22Å; W114-H173 HydrophobicContact CD2-CB 4.34Å; W114-H173 AromaticContact CE2-CD2 3.77Å; W114-H173 HydrophobicContact CG-CB 4.14Å; W114-H173 AromaticContact CZ2-CD2 3.67Å; E171-H173 IonicContact OE2-CD2 3.53Å; E171-H173 IonicContact OE2-CE1 3.61Å; E171-H173 IonicContact OE2-NE2 3.57Å; E171-H173 PolarHBondContact OE2-NE2 3.09Å
174	P	89.4	Confident	84.7	Confident	11 Å²	11	50.7 Å²	50.7	7%	0.071	27%	0.267	C	S	.	.			trans	-53.2	151.8	165.9	-25.5	37.1	0	0	0	111.7	L65 E67 S70 V110 V113 W114	L65-P174 WeakPolarHBondContact O-CA 3.16Å; L65-P174 WeakPolarHBondContact O-CB 3.44Å; E67-P174 HydrophobicContact CB-CG 4.1Å; S70-P174 VanDerWaalsContact OG-CA 3.29Å; S70-P174 WeakPolarHBondContact OG-CA 3.46Å; V110-P174 HydrophobicContact CG1-CB 4.14Å; V110-P174 HydrophobicContact CG1-CG 3.67Å; V110-P174 HydrophobicContact CG2-CG 4.02Å; V113-P174 CarbonylContact C-O 3.6Å; V113-P174 VanDerWaalsContact CA-O 3.27Å; V113-P174 WeakPolarHBondContact CA-O 3.34Å; V113-P174 HydrophobicContact CG1-CB 4.25Å; W114-P174 PolarHBondContact N-O 2.77Å
175	A	91	Very high	82.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	151.9	-177.5	0	0	0	0	0	111.9	L65 S76 L87 W114	L65-A175 HydrophobicContact CB-CB 4.48Å; L65-A175 WeakPolarHBondContact CB-O 3.4Å; L65-A175 HydrophobicContact CD1-CB 4.46Å; L65-A175 PolarHBondContact N-O 3.45Å; L65-A175 PolarHBondContact O-N 3.03Å; S76-A175 WeakPolarHBondContact OG-CB 3.44Å; L87-A175 HydrophobicContact CD2-CB 3.92Å; W114-A175 HydrophobicContact CB-CB 3.86Å
176	V	91.3	Very high	80.7	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.6	178.5	-174.7	0	0	0	0	110.7	V64 I88 L99 L103 V113 W114	V64-V176 HydrophobicContact CG2-CG2 4.22Å; I88-V176 HydrophobicContact CB-CB 4.42Å; I88-V176 HydrophobicContact CB-CG1 4.34Å; I88-V176 HydrophobicContact CD1-CG1 4.16Å; I88-V176 HydrophobicContact CG2-CB 3.97Å; I88-V176 HydrophobicContact CG2-CG1 4.35Å; I88-V176 PolarHBondContact N-O 3.39Å; L99-V176 HydrophobicContact CD1-CB 4.31Å; L99-V176 HydrophobicContact CD1-CG1 3.96Å; L99-V176 HydrophobicContact CD1-CG2 4.02Å; L103-V176 HydrophobicContact CD2-CG2 4.3Å; V113-V176 HydrophobicContact CG2-CG2 4.49Å; W114-V176 PolarHBondContact O-N 2.77Å
177	C	91.8	Very high	78.8	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	144.2	177	-50.5	0	0	0	0	111.1	W54 Y62 H63 L65 C80 A85 K86	W54-C177 HydrophobicContact CH2-CB 4.19Å; W54-C177 HydrophobicContact CZ3-CB 4.48Å; Y62-C177 CarbonylContact C-O 3.55Å; Y62-C177 VanDerWaalsContact CA-O 3.31Å; Y62-C177 WeakPolarHBondContact CA-O 3.49Å; H63-C177 PolarHBondContact N-O 3.49Å; H63-C177 PolarHBondContact O-N 3.23Å; L65-C177 WeakPolarHBondContact CD1-SG 3.41Å; C80-C177 WeakPolarHBondContact CA-SG 3.32Å; C80-C177 HydrophobicContact CB-CB 3.77Å; C80-C177 WeakPolarHBondContact CB-SG 3.49Å; C80-C177 VanDerWaalsContact SG-CA 3.57Å; C80-C177 WeakPolarHBondContact SG-CB 3.18Å; C80-C177 CovalentContact SG-SG 2.03Å; C80-C177 PolarHBondContact SG-SG 2.98Å; A85-C177 HydrophobicContact CB-CB 3.9Å; K86-C177 CarbonylContact O-C 3.51Å; K86-C177 VanDerWaalsContact O-CA 3.25Å; K86-C177 WeakPolarHBondContact O-CA 3.25Å
178	R	91.5	Very high	76.8	Confident	29 Å²	29	79.7 Å²	79.7	11%	0.109	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.3	175.5	176.9	-172.2	176.6	157.4	13	110.2	F60 Y62 A85 K86 I88 S89 E95	F60-R178 HydrophobicContact CB-CG 4.34Å; F60-R178 HydrophobicContact CD1-CG 4.05Å; F60-R178 VanDerWaalsContact CD2-NH2 3.27Å; F60-R178 VanDerWaalsContact CE1-NH2 3.34Å; F60-R178 HydrophobicContact CG-CG 4.43Å; Y62-R178 HydrophobicContact CD1-CB 4.16Å; Y62-R178 HydrophobicContact CD1-CG 4.31Å; Y62-R178 HydrophobicContact CE1-CB 4.09Å; Y62-R178 HydrophobicContact CE1-CG 3.83Å; A85-R178 WeakPolarHBondContact CA-O 3.33Å; A85-R178 WeakPolarHBondContact CB-O 3.36Å; K86-R178 PolarHBondContact N-O 2.88Å; K86-R178 PolarHBondContact O-N 2.95Å; I88-R178 HydrophobicContact CB-CB 4.37Å; I88-R178 HydrophobicContact CG1-CB 4.37Å; S89-R178 PolarHBondContact O-NH1 3.27Å; S89-R178 PolarHBondContact OG-NH1 2.91Å; E95-R178 IonicContact OE1-CZ 3.27Å; E95-R178 VanDerWaalsContact OE1-CZ 3.29Å; E95-R178 IonicContact OE1-NH1 3.85Å; E95-R178 PolarHBondContact OE1-NH1 3.48Å; E95-R178 IonicContact OE1-NH2 3.6Å; E95-R178 PolarHBondContact OE1-NH2 3.26Å; E95-R178 IonicContact OE2-NH1 3.72Å
179	R	89.9	Confident	74.8	Confident	49 Å²	49	77.4 Å²	77.4	19%	0.185	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158.8	166.7	68.9	-177.6	-176.5	-175.5	-0.4	111.5	W54 F60 C61 L83 A85	W54-R179 VanDerWaalsContact CE2-CZ 3.46Å; W54-R179 HydrophobicContact CE3-CG 4.05Å; W54-R179 HydrophobicContact CH2-CG 4.15Å; W54-R179 HydrophobicContact CZ3-CB 4.48Å; W54-R179 HydrophobicContact CZ3-CG 3.71Å; F60-R179 WeakPolarHBondContact CA-O 3.32Å; C61-R179 HydrophobicContact CB-CG 3.92Å; C61-R179 PolarHBondContact N-O 3.03Å; C61-R179 PolarHBondContact O-N 3.38Å; L83-R179 PolarHBondContact O-NH1 2.97Å; A85-R179 HydrophobicContact CB-CB 3.91Å
180	E	86.2	Confident	73.2	Confident	149 Å²	149	81.2 Å²	81.2	70%	0.696	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	145.6	171.9	-70.4	176.8	-170.4	0	0	111.1	F60	F60-E180 HydrophobicContact CD1-CG 4.04Å; F60-E180 HydrophobicContact CE1-CG 3.62Å
181	S	81.1	Confident	71.8	Confident	17 Å²	17	80.6 Å²	80.6	12%	0.119	39%	0.393	C	S	.	.			trans	-68.9	144.3	173.1	177.7	0	0	0	0	111.2	E49 G59 S183	E49-S181 PolarHBondContact O-OG 3.06Å; G59-S181 WeakPolarHBondContact O-CB 3.15Å; G59-S181 PolarHBondContact O-N 3.01Å; S181-S183 PolarHBondContact O-N 2.85Å; S181-S183 PolarHBondContact OG-N 3Å
182	Q	68.9	Low	70.7	Confident	174 Å²	174	78.9 Å²	78.9	81%	0.813	39%	0.386	S	S	*	.	S	Bend	trans	-73.6	-14.4	-178.6	-65	-178.5	-5.1	0	0	113.3
183	S	59	Low	69.7	Low	67 Å²	67	80.3 Å²	80.3	47%	0.469	39%	0.393	S	S	.	.			trans	-138.6	81.4	-178.9	-55.6	0	0	0	0	109.6	S181 V185	S181-S183 PolarHBondContact O-N 2.85Å; S181-S183 PolarHBondContact OG-N 3Å; S183-V185 VanDerWaalsContact C-N 3.26Å; S183-V185 PolarHBondContact O-N 3.24Å
184	P	52.9	Low	68.9	Low	106 Å²	106	82.7 Å²	82.7	69%	0.688	42%	0.424	S	S	*	.			trans	-68.4	93.1	168.8	27.4	-30.4	0	0	0	107.3	Q186	P184-Q186 PolarHBondContact O-N 3.05Å
185	V	50.6	Low	68.6	Low	67 Å²	67	83.1 Å²	83.1	41%	0.406	43%	0.428	S	S	.	.			trans	-65.2	104.9	177.6	-170.6	0	0	0	0	107.2	S183 H187	S183-V185 VanDerWaalsContact C-N 3.26Å; S183-V185 PolarHBondContact O-N 3.24Å; V185-H187 HydrophobicContact CG1-CB 4.34Å; V185-H187 WeakPolarHBondContact CG1-CD2 3.4Å; V185-H187 PolarHBondContact O-N 2.89Å
186	Q	46.3	Very low	68.3	Low	196 Å²	196	86 Å²	86	92%	0.916	45%	0.446	S	S	*	.			trans	-69.4	74.5	165.5	-87	-174.6	-19.5	0	0	108.6	P184	P184-Q186 PolarHBondContact O-N 3.05Å
187	H	47.4	Very low	67.8	Low	136 Å²	136	91.1 Å²	91.1	63%	0.63	49%	0.488	S	S	*	.			trans	-81.6	124	166.1	-96	-52.3	0	0	0	109.6	V185 G189	V185-H187 HydrophobicContact CG1-CB 4.34Å; V185-H187 WeakPolarHBondContact CG1-CD2 3.4Å; V185-H187 PolarHBondContact O-N 2.89Å; H187-G189 PolarHBondContact O-N 3.42Å
188	R	44.7	Very low	67.2	Low	264 Å²	264	94.2 Å²	94.2	100%	0.996	52%	0.52	S	S	*	.			trans	-72.9	36	158.1	-59	-176.2	-167.4	-151.1	2.1	110.9
189	G	47.4	Very low	67	Low	21 Å²	21	94.6 Å²	94.6	22%	0.216	52%	0.521	C	S	.	.			trans	-82.5	137.3	173.8	0	0	0	0	0	108.2	H187 W191	H187-G189 PolarHBondContact O-N 3.42Å; G189-W191 PolarHBondContact O-N 3.31Å; G189-W191 VanDerWaalsContact O-N 3.15Å
190	T	55	Low	66.9	Low	101 Å²	101	95.7 Å²	95.7	62%	0.62	53%	0.528	S	S	*	.			trans	-66.2	116.2	178.9	42	0	0	0	0	108.5	D192 E193	T190-D192 PolarHBondContact O-N 3.17Å; T190-E193 WeakPolarHBondContact O-CG 3.37Å; T190-E193 PolarHBondContact O-N 3.43Å
191	W	60.6	Low	66.8	Low	120 Å²	120	93.1 Å²	93.1	46%	0.455	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-16.7	179.5	-45	103.1	0	0	0	115.3	I46 G189	I46-W191 HydrophobicContact CG1-CZ3 4.17Å; G189-W191 PolarHBondContact O-N 3.31Å; G189-W191 VanDerWaalsContact O-N 3.15Å
192	D	64.9	Low	66.9	Low	32 Å²	32	93.7 Å²	93.7	17%	0.171	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	18	178.6	-54.9	-46.4	0	0	0	112.8	T190 G194 C195 W199 K200 R201	T190-D192 PolarHBondContact O-N 3.17Å; D192-G194 PolarHBondContact O-N 2.98Å; D192-C195 WeakPolarHBondContact O-CB 3.46Å; D192-C195 PolarHBondContact O-N 2.89Å; D192-W199 VanDerWaalsContact CB-O 3.27Å; D192-W199 WeakPolarHBondContact CB-O 3.39Å; D192-K200 WeakPolarHBondContact OD1-CA 3.38Å; D192-K200 VanDerWaalsContact OD1-CD 3.29Å; D192-K200 WeakPolarHBondContact OD1-CD 3.32Å; D192-K200 IonicContact OD1-NZ 3.74Å; D192-K200 WeakPolarHBondContact OD2-CD 3.4Å; D192-K200 IonicContact OD2-NZ 3.88Å; D192-K200 PolarHBondContact OD2-NZ 3.08Å; D192-R201 PolarHBondContact OD1-N 3.13Å
193	E	66.8	Low	67.2	Low	122 Å²	122	87.5 Å²	87.5	57%	0.57	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	121.6	176.9	-92.5	176.2	-156.5	0	0	111	T190 R201	T190-E193 WeakPolarHBondContact O-CG 3.37Å; T190-E193 PolarHBondContact O-N 3.43Å; E193-R201 PolarHBondContact O-NH1 2.97Å
194	G	71.1	Confident	68.2	Low	76 Å²	76	89 Å²	89	78%	0.784	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.4	-13.4	-172.4	0	0	0	0	0	114.7	D192	D192-G194 PolarHBondContact O-N 2.98Å
195	C	82.8	Confident	69.8	Low	20 Å²	20	84.4 Å²	84.4	14%	0.135	46%	0.464	C	S	.	.	S	Bend	trans	-103.9	154.8	173.4	-63.4	0	0	0	0	111.8	D192 W199 R201 C206	D192-C195 WeakPolarHBondContact O-CB 3.46Å; D192-C195 PolarHBondContact O-N 2.89Å; C195-W199 HydrophobicContact CB-CB 3.89Å; C195-R201 VanDerWaalsContact SG-CB 3.54Å; C195-C206 VanDerWaalsContact CA-SG 3.5Å; C195-C206 HydrophobicContact CB-CB 3.81Å; C195-C206 WeakPolarHBondContact CB-SG 3.41Å; C195-C206 WeakPolarHBondContact SG-CB 3.49Å; C195-C206 CovalentContact SG-SG 2.03Å; C195-C206 PolarHBondContact SG-SG 3.46Å
196	P	83.6	Confident	71.6	Confident	61 Å²	61	81.6 Å²	81.6	40%	0.396	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-61.9	157.3	174.4	-17.3	29.3	0	0	0	112.1	G198 W199	P196-G198 PolarHBondContact O-N 3.47Å; P196-W199 HydrophobicContact CB-CG 4.17Å; P196-W199 HydrophobicContact CG-CD2 4.44Å; P196-W199 HydrophobicContact CG-CG 4.18Å; P196-W199 VanDerWaalsContact O-CB 3.3Å; P196-W199 WeakPolarHBondContact O-CB 3.37Å; P196-W199 PolarHBondContact O-N 3.35Å
197	A	81.5	Confident	73.7	Confident	107 Å²	107	72.4 Å²	72.4	88%	0.884	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	128.2	179.2	0	0	0	0	0	111.6
198	G	80.1	Confident	75.8	Confident	64 Å²	64	67.1 Å²	67.1	66%	0.66	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	1.2	-177.3	0	0	0	0	0	115.2	P196 T208	P196-G198 PolarHBondContact O-N 3.47Å; G198-T208 PolarHBondContact O-OG1 2.89Å
199	W	86.8	Confident	78	Confident	37 Å²	37	55.6 Å²	55.6	14%	0.14	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-95.4	144.4	172.1	-69.4	61.8	0	0	0	110.5	D192 C195 P196 C206 Y207 T208 A227 C323 M325	D192-W199 VanDerWaalsContact CB-O 3.27Å; D192-W199 WeakPolarHBondContact CB-O 3.39Å; C195-W199 HydrophobicContact CB-CB 3.89Å; P196-W199 HydrophobicContact CB-CG 4.17Å; P196-W199 HydrophobicContact CG-CD2 4.44Å; P196-W199 HydrophobicContact CG-CG 4.18Å; P196-W199 VanDerWaalsContact O-CB 3.3Å; P196-W199 WeakPolarHBondContact O-CB 3.37Å; P196-W199 PolarHBondContact O-N 3.35Å; W199-C206 HydrophobicContact CB-CB 4.37Å; W199-C206 HydrophobicContact CE3-CB 3.75Å; W199-C206 WeakPolarHBondContact CZ3-O 3.45Å; W199-Y207 CarbonylContact C-O 3.35Å; W199-Y207 VanDerWaalsContact CA-O 3.31Å; W199-Y207 WeakPolarHBondContact CA-O 3.17Å; W199-Y207 VanDerWaalsContact CE3-C 3.47Å; W199-T208 HydrophobicContact CD2-CG2 3.77Å; W199-T208 VanDerWaalsContact CE2-CG2 3.4Å; W199-T208 HydrophobicContact CE3-CG2 3.98Å; W199-T208 HydrophobicContact CG-CG2 4.5Å; W199-T208 HydrophobicContact CH2-CG2 3.51Å; W199-T208 HydrophobicContact CZ2-CG2 3.29Å; W199-T208 HydrophobicContact CZ3-CG2 3.86Å; W199-A227 HydrophobicContact CH2-CB 3.57Å; W199-A227 HydrophobicContact CZ2-CB 4.42Å; W199-A227 HydrophobicContact CZ3-CB 4.31Å; W199-C323 HydrophobicContact CH2-CB 3.8Å; W199-C323 HydrophobicContact CZ3-CB 4.22Å; W199-M325 HydrophobicContact CH2-CB 4.47Å; W199-M325 HydrophobicContact CZ3-CB 3.99Å
200	K	86.8	Confident	80	Confident	73 Å²	73	55.1 Å²	55.1	32%	0.317	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.9	176.6	-63.4	-52.1	-175	-178.2	0	111.3	D192 C206 Y207 F240 L244	D192-K200 WeakPolarHBondContact OD1-CA 3.38Å; D192-K200 VanDerWaalsContact OD1-CD 3.29Å; D192-K200 WeakPolarHBondContact OD1-CD 3.32Å; D192-K200 IonicContact OD1-NZ 3.74Å; D192-K200 WeakPolarHBondContact OD2-CD 3.4Å; D192-K200 IonicContact OD2-NZ 3.88Å; D192-K200 PolarHBondContact OD2-NZ 3.08Å; K200-C206 CarbonylContact O-C 3.46Å; K200-C206 WeakPolarHBondContact O-CA 3.15Å; K200-Y207 PolarHBondContact N-O 3.36Å; K200-Y207 PolarHBondContact O-N 3.28Å; K200-F240 HydrophobicContact CB-CZ 4.12Å; K200-L244 HydrophobicContact CB-CD1 4.01Å; K200-L244 HydrophobicContact CG-CD1 3.55Å
201	R	83.7	Confident	81.5	Confident	95 Å²	95	55.1 Å²	55.1	36%	0.358	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.4	-178.5	-169.7	173	172.1	-174.3	-7.3	111.6	D192 E193 C195 G203	D192-R201 PolarHBondContact OD1-N 3.13Å; E193-R201 PolarHBondContact O-NH1 2.97Å; C195-R201 VanDerWaalsContact SG-CB 3.54Å; R201-G203 PolarHBondContact NE-O 3.35Å; R201-G203 PolarHBondContact NH2-O 3.23Å
202	R	83.6	Confident	82.8	Confident	28 Å²	28	54 Å²	54	11%	0.106	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	118.9	164.2	170.3	177.1	-178.9	-86.4	-1.9	108.9	E97 H204 S205 Y207 F236 F240	E97-R202 IonicContact OE1-CZ 3.41Å; E97-R202 IonicContact OE1-NH2 3.39Å; E97-R202 PolarHBondContact OE1-NH2 2.73Å; E97-R202 IonicContact OE2-CZ 3.28Å; E97-R202 IonicContact OE2-NE 3.5Å; E97-R202 IonicContact OE2-NH2 2.66Å; E97-R202 PolarHBondContact OE2-NH2 2.84Å; R202-H204 PolarHBondContact O-N 3.43Å; R202-S205 PolarHBondContact N-O 2.86Å; R202-S205 PolarHBondContact O-N 2.92Å; R202-Y207 HydrophobicContact CB-CD2 4.27Å; R202-Y207 HydrophobicContact CB-CE2 3.81Å; R202-F236 VanDerWaalsContact NH2-C 3.33Å; R202-F240 HydrophobicContact CB-CD1 4.16Å; R202-F240 HydrophobicContact CB-CD2 4.33Å; R202-F240 HydrophobicContact CB-CE1 3.95Å; R202-F240 HydrophobicContact CB-CE2 4.1Å; R202-F240 HydrophobicContact CB-CG 4.34Å; R202-F240 HydrophobicContact CB-CZ 3.9Å; R202-F240 HydrophobicContact CG-CD1 4.5Å; R202-F240 HydrophobicContact CG-CG 4.41Å
203	G	76.8	Confident	84	Confident	45 Å²	45	57.9 Å²	57.9	46%	0.464	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	-122.6	-174.2	0	0	0	0	0	112.1	R201	R201-G203 PolarHBondContact NE-O 3.35Å; R201-G203 PolarHBondContact NH2-O 3.23Å
204	H	78.4	Confident	85.2	Confident	97 Å²	97	52.3 Å²	52.3	45%	0.449	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	6.5	176.7	-66.8	-83.1	0	0	0	114.3	R202 S327 D331	R202-H204 PolarHBondContact O-N 3.43Å; H204-S327 PolarHBondContact O-N 2.86Å; H204-D331 IonicContact CD2-OD1 3.91Å; H204-D331 PolarHBondContact CD2-OD1 2.96Å; H204-D331 VanDerWaalsContact CD2-OD1 3.28Å; H204-D331 IonicContact CD2-OD2 2.75Å
205	S	86.3	Confident	86.2	Confident	11 Å²	11	49.7 Å²	49.7	8%	0.077	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.5	-177.9	-67.3	0	0	0	0	112.3	R202 Y207 M325	R202-S205 PolarHBondContact N-O 2.86Å; R202-S205 PolarHBondContact O-N 2.92Å; S205-Y207 VanDerWaalsContact CB-CE2 3.46Å; S205-Y207 WeakPolarHBondContact CB-OH 3.22Å; S205-M325 WeakPolarHBondContact CA-O 3.46Å
206	C	89.3	Confident	86.6	Confident	8 Å²	8	49.2 Å²	49.2	5%	0.054	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.6	174.1	-57.8	0	0	0	0	109.7	C195 W199 K200 K324 M325	C195-C206 VanDerWaalsContact CA-SG 3.5Å; C195-C206 HydrophobicContact CB-CB 3.81Å; C195-C206 WeakPolarHBondContact CB-SG 3.41Å; C195-C206 WeakPolarHBondContact SG-CB 3.49Å; C195-C206 CovalentContact SG-SG 2.03Å; C195-C206 PolarHBondContact SG-SG 3.46Å; W199-C206 HydrophobicContact CB-CB 4.37Å; W199-C206 HydrophobicContact CE3-CB 3.75Å; W199-C206 WeakPolarHBondContact CZ3-O 3.45Å; K200-C206 CarbonylContact O-C 3.46Å; K200-C206 WeakPolarHBondContact O-CA 3.15Å; C206-K324 WeakPolarHBondContact O-CA 3.47Å; C206-M325 HydrophobicContact CB-CB 4.42Å; C206-M325 PolarHBondContact N-O 2.82Å; C206-M325 PolarHBondContact O-N 3.4Å
207	Y	90.9	Very high	86.9	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.7	-176.2	-58.4	-101.3	0	0	0	111.6	W199 K200 R202 S205 L230 E237 F240 C323 K324	W199-Y207 CarbonylContact C-O 3.35Å; W199-Y207 VanDerWaalsContact CA-O 3.31Å; W199-Y207 WeakPolarHBondContact CA-O 3.17Å; W199-Y207 VanDerWaalsContact CE3-C 3.47Å; K200-Y207 PolarHBondContact N-O 3.36Å; K200-Y207 PolarHBondContact O-N 3.28Å; R202-Y207 HydrophobicContact CB-CD2 4.27Å; R202-Y207 HydrophobicContact CB-CE2 3.81Å; S205-Y207 VanDerWaalsContact CB-CE2 3.46Å; S205-Y207 WeakPolarHBondContact CB-OH 3.22Å; Y207-L230 HydrophobicContact CD1-CD1 3.88Å; Y207-L230 HydrophobicContact CE1-CD1 3.61Å; Y207-E237 HydrophobicContact CE1-CG 4.32Å; Y207-E237 VanDerWaalsContact CE1-OE1 3.27Å; Y207-E237 WeakPolarHBondContact CE1-OE1 3.47Å; Y207-E237 VanDerWaalsContact CZ-OE1 3.31Å; Y207-E237 PolarHBondContact OH-OE1 3.32Å; Y207-F240 HydrophobicContact CD1-CE1 4.29Å; Y207-F240 HydrophobicContact CD2-CD1 4.34Å; Y207-F240 AromaticContact CD2-CE1 3.5Å; Y207-F240 HydrophobicContact CD2-CE1 3.5Å; Y207-F240 VanDerWaalsContact CD2-CE1 3.5Å; Y207-F240 HydrophobicContact CD2-CZ 4.2Å; Y207-F240 HydrophobicContact CE2-CD1 4.48Å; Y207-F240 HydrophobicContact CE2-CE1 4.01Å; Y207-F240 HydrophobicContact CG-CD1 4.47Å; Y207-F240 AromaticContact CG-CE1 3.67Å; Y207-F240 HydrophobicContact CG-CE1 3.67Å; Y207-C323 VanDerWaalsContact CA-O 3.28Å; Y207-C323 WeakPolarHBondContact CA-O 3.2Å; Y207-K324 HydrophobicContact CD1-CB 4.31Å; Y207-K324 HydrophobicContact CD1-CG 4.41Å; Y207-K324 HydrophobicContact CE1-CB 4.19Å; Y207-K324 HydrophobicContact CE1-CD 3.92Å; Y207-K324 HydrophobicContact CE1-CG 3.9Å
208	T	91.1	Very high	87.2	Confident	26 Å²	26	48.4 Å²	48.4	16%	0.16	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	162.8	171.1	-160.3	0	0	0	0	111.3	G198 W199 V322 C323	G198-T208 PolarHBondContact O-OG1 2.89Å; W199-T208 HydrophobicContact CD2-CG2 3.77Å; W199-T208 VanDerWaalsContact CE2-CG2 3.4Å; W199-T208 HydrophobicContact CE3-CG2 3.98Å; W199-T208 HydrophobicContact CG-CG2 4.5Å; W199-T208 HydrophobicContact CH2-CG2 3.51Å; W199-T208 HydrophobicContact CZ2-CG2 3.29Å; W199-T208 HydrophobicContact CZ3-CG2 3.86Å; T208-V322 WeakPolarHBondContact O-CA 3.45Å; T208-C323 HydrophobicContact CG2-CB 4.2Å; T208-C323 PolarHBondContact N-O 2.89Å; T208-C323 VanDerWaalsContact N-O 3.16Å; T208-C323 PolarHBondContact O-N 3.28Å
209	V	90.8	Very high	87.7	Confident	22 Å²	22	45.6 Å²	45.6	13%	0.133	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.5	176.1	-176.1	0	0	0	0	108.1	L244 L245 Y256 S321	V209-L244 HydrophobicContact CG2-CD2 4.16Å; V209-L244 HydrophobicContact CG2-CG 4.24Å; V209-L245 HydrophobicContact CG2-CD2 3.87Å; V209-Y256 HydrophobicContact CG1-CD1 3.77Å; V209-Y256 HydrophobicContact CG1-CE1 3.66Å; V209-S321 WeakPolarHBondContact CA-O 3.34Å
210	T	89.6	Confident	87.7	Confident	10 Å²	10	46.3 Å²	46.3	6%	0.061	25%	0.251	C	S	.	.			trans	-67.2	156.1	178.3	63.8	0	0	0	0	111.5	H212 C225 S321	T210-H212 PolarHBondContact OG1-O 3.49Å; T210-C225 HydrophobicContact CG2-CB 3.97Å; T210-S321 PolarHBondContact N-O 2.67Å; T210-S321 PolarHBondContact OG1-N 2.88Å
211	S	85.7	Confident	87.6	Confident	101 Å²	101	48.8 Å²	48.8	71%	0.706	27%	0.268	S	S	*	.	S	Bend	trans	-92.9	-11	179.2	51.6	0	0	0	0	114.3
212	H	87.8	Confident	87.5	Confident	97 Å²	97	44.7 Å²	44.7	45%	0.449	26%	0.255	S	S	.	.	S	Bend	trans	-126.3	139.3	-175	-64.6	75.2	0	0	0	110.9	T210 Y224 L320	T210-H212 PolarHBondContact OG1-O 3.49Å; H212-Y224 HydrophobicContact CB-CD1 4.04Å; H212-Y224 HydrophobicContact CB-CD2 4.42Å; H212-Y224 HydrophobicContact CB-CE1 3.81Å; H212-Y224 HydrophobicContact CB-CE2 4.23Å; H212-Y224 HydrophobicContact CB-CG 4.33Å; H212-Y224 AromaticContact CG-CE1 3.82Å; H212-L320 VanDerWaalsContact C-CD2 3.43Å
213	E	90.6	Very high	87.4	Confident	114 Å²	114	50.2 Å²	50.2	53%	0.533	28%	0.276	S	S	.	.			trans	-76.8	134.2	175.1	-63.3	-178.9	164.8	0	0	110.7	K318 A319 L320	E213-K318 HydrophobicContact CB-CB 4.14Å; E213-A319 WeakPolarHBondContact CA-O 3.29Å; E213-L320 HydrophobicContact CG-CD2 3.92Å; E213-L320 HydrophobicContact CG-CG 4.25Å
214	Q	92.1	Very high	87.6	Confident	5 Å²	5	54.1 Å²	54.1	2%	0.023	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-141.3	165.5	-176.5	57.5	179.1	-19.1	0	0	111.1	D218 A219 Y224 W257 K318 A319 S321	Q214-D218 HydrophobicContact CB-CB 4.16Å; Q214-A219 VanDerWaalsContact CD-CA 3.45Å; Q214-A219 HydrophobicContact CG-CB 3.96Å; Q214-Y224 HydrophobicContact CB-CD2 4.23Å; Q214-Y224 HydrophobicContact CB-CE2 4.25Å; Q214-Y224 HydrophobicContact CG-CD2 4.4Å; Q214-Y224 VanDerWaalsContact OE1-CD2 3.3Å; Q214-W257 PolarHBondContact O-NE1 3.29Å; Q214-K318 WeakPolarHBondContact O-CA 3.48Å; Q214-A319 PolarHBondContact N-O 3.38Å; Q214-A319 PolarHBondContact O-N 3.33Å; Q214-S321 PolarHBondContact NE2-OG 3.24Å
215	T	93.2	Very high	87.8	Confident	21 Å²	21	49.9 Å²	49.9	13%	0.129	26%	0.259	C	S	.	.			trans	-74.2	163.6	170.8	71	0	0	0	0	110.1	E217 D218 A219 K315 K318	T215-E217 VanDerWaalsContact C-N 3.29Å; T215-E217 PolarHBondContact O-N 2.88Å; T215-D218 PolarHBondContact O-N 3.2Å; T215-D218 PolarHBondContact OG1-N 3.19Å; T215-D218 PolarHBondContact OG1-OD2 2.68Å; T215-A219 WeakPolarHBondContact O-CB 3.49Å; T215-A219 PolarHBondContact O-N 2.75Å; T215-K315 WeakPolarHBondContact CG2-O 3.04Å; T215-K318 HydrophobicContact CG2-CG 4.45Å
216	F	91	Very high	87.4	Confident	9 Å²	9	57.4 Å²	57.4	4%	0.039	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-36.7	177.9	-179.9	-92.5	0	0	0	112.1	D218 A219 A220 L229 W257 I258 K261 L272 C297 C314	F216-D218 VanDerWaalsContact C-N 3.34Å; F216-D218 PolarHBondContact O-N 3.19Å; F216-A219 PolarHBondContact O-N 3.29Å; F216-A220 HydrophobicContact CE1-CB 4.34Å; F216-A220 WeakPolarHBondContact O-CB 3.02Å; F216-A220 PolarHBondContact O-N 2.71Å; F216-L229 HydrophobicContact CE2-CD1 4.13Å; F216-W257 HydrophobicContact CB-CD2 4.04Å; F216-W257 HydrophobicContact CB-CE3 4.07Å; F216-W257 HydrophobicContact CB-CH2 4.04Å; F216-W257 HydrophobicContact CB-CZ2 3.97Å; F216-W257 HydrophobicContact CB-CZ3 4.08Å; F216-W257 AromaticContact CD2-CD2 3.93Å; F216-W257 HydrophobicContact CD2-CD2 3.93Å; F216-W257 AromaticContact CD2-CE3 3.53Å; F216-W257 HydrophobicContact CD2-CE3 3.53Å; F216-W257 HydrophobicContact CD2-CG 4.4Å; F216-W257 HydrophobicContact CD2-CZ3 4.04Å; F216-W257 HydrophobicContact CE2-CE3 4.45Å; F216-W257 HydrophobicContact CG-CE3 4.26Å; F216-W257 HydrophobicContact CG-CZ3 4.46Å; F216-I258 WeakPolarHBondContact CE2-O 3.43Å; F216-K261 HydrophobicContact CE1-CB 4.34Å; F216-K261 HydrophobicContact CE1-CD 4.22Å; F216-K261 HydrophobicContact CZ-CB 4.05Å; F216-K261 HydrophobicContact CZ-CD 4.49Å; F216-L272 HydrophobicContact CZ-CD1 3.95Å; F216-L272 HydrophobicContact CZ-CD2 4.35Å; F216-L272 HydrophobicContact CZ-CG 4.35Å; F216-C297 HydrophobicContact CB-CB 3.96Å; F216-C297 HydrophobicContact CD1-CB 4.05Å; F216-C297 WeakPolarHBondContact CD1-SG 3.47Å; F216-C297 HydrophobicContact CD2-CB 3.55Å; F216-C297 HydrophobicContact CE1-CB 4.42Å; F216-C297 VanDerWaalsContact CE1-SG 3.5Å; F216-C297 HydrophobicContact CE2-CB 3.94Å; F216-C297 HydrophobicContact CG-CB 3.58Å; F216-C297 WeakPolarHBondContact CG-SG 3.39Å; F216-C297 HydrophobicContact CZ-CB 4.35Å; F216-C314 HydrophobicContact CB-CB 4.12Å; F216-C314 WeakPolarHBondContact CB-O 3.46Å; F216-C314 PolarHBondContact N-O 2.85Å; F216-C314 VanDerWaalsContact N-O 3.15Å
217	E	88.4	Confident	87.1	Confident	94 Å²	94	58.1 Å²	58.1	44%	0.439	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-42.4	179.5	-65.6	-175.8	172.2	0	0	110.9	T215 A220 L221 K315	T215-E217 VanDerWaalsContact C-N 3.29Å; T215-E217 PolarHBondContact O-N 2.88Å; E217-A220 PolarHBondContact O-N 3.03Å; E217-L221 WeakPolarHBondContact O-CG 3.4Å; E217-L221 PolarHBondContact O-N 3.39Å; E217-L221 VanDerWaalsContact O-N 3.13Å; E217-K315 WeakPolarHBondContact OE1-CE 2.8Å; E217-K315 IonicContact OE1-NZ 3.91Å
218	D	89.6	Confident	86.8	Confident	58 Å²	58	60.4 Å²	60.4	31%	0.31	32%	0.318	S	S	.	.	H	α-helix	trans	-65.6	-41.8	174.6	-60.6	-39.4	0	0	0	111.4	Q214 T215 F216 A220 L221 G222 Y223	Q214-D218 HydrophobicContact CB-CB 4.16Å; T215-D218 PolarHBondContact O-N 3.2Å; T215-D218 PolarHBondContact OG1-N 3.19Å; T215-D218 PolarHBondContact OG1-OD2 2.68Å; F216-D218 VanDerWaalsContact C-N 3.34Å; F216-D218 PolarHBondContact O-N 3.19Å; D218-A220 VanDerWaalsContact C-N 3.34Å; D218-A220 PolarHBondContact O-N 3.07Å; D218-L221 PolarHBondContact O-N 3.17Å; D218-G222 PolarHBondContact O-N 3.14Å; D218-Y223 HydrophobicContact CB-CD2 3.75Å; D218-Y223 HydrophobicContact CB-CE2 4.24Å; D218-Y223 VanDerWaalsContact O-CD2 3.29Å; D218-Y223 WeakPolarHBondContact O-CD2 3.49Å; D218-Y223 PolarHBondContact O-N 2.92Å
219	A	88.7	Confident	86.8	Confident	4 Å²	4	59.5 Å²	59.5	3%	0.033	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-42.2	178.3	0	0	0	0	0	112.1	Q214 T215 F216 L221 G222 L229 W257 S321	Q214-A219 VanDerWaalsContact CD-CA 3.45Å; Q214-A219 HydrophobicContact CG-CB 3.96Å; T215-A219 WeakPolarHBondContact O-CB 3.49Å; T215-A219 PolarHBondContact O-N 2.75Å; F216-A219 PolarHBondContact O-N 3.29Å; A219-L221 VanDerWaalsContact C-N 3.32Å; A219-L221 PolarHBondContact O-N 2.98Å; A219-G222 PolarHBondContact O-N 3.37Å; A219-G222 VanDerWaalsContact O-N 3.15Å; A219-L229 HydrophobicContact CB-CD1 4.19Å; A219-L229 HydrophobicContact CB-CD2 4.1Å; A219-W257 HydrophobicContact CB-CB 4.49Å; A219-W257 HydrophobicContact CB-CG 4.48Å; A219-S321 WeakPolarHBondContact CB-OG 3.46Å
220	A	87.2	Confident	86.8	Confident	52 Å²	52	58.5 Å²	58.5	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-70.2	-26.6	178.5	0	0	0	0	0	113.2	F216 E217 D218 G222 L229 L272	F216-A220 HydrophobicContact CE1-CB 4.34Å; F216-A220 WeakPolarHBondContact O-CB 3.02Å; F216-A220 PolarHBondContact O-N 2.71Å; E217-A220 PolarHBondContact O-N 3.03Å; D218-A220 VanDerWaalsContact C-N 3.34Å; D218-A220 PolarHBondContact O-N 3.07Å; A220-G222 VanDerWaalsContact C-N 3.27Å; A220-L229 HydrophobicContact CB-CD1 4.36Å; A220-L272 HydrophobicContact CB-CD1 4.15Å
221	L	85.1	Confident	86.8	Confident	126 Å²	126	58.3 Å²	58.3	66%	0.66	31%	0.305	S	S	*	.	H	α-helix	trans	-78.3	-11.7	172.5	-72.2	170.4	0	0	0	113.1	E217 D218 A219 Y223	E217-L221 WeakPolarHBondContact O-CG 3.4Å; E217-L221 PolarHBondContact O-N 3.39Å; E217-L221 VanDerWaalsContact O-N 3.13Å; D218-L221 PolarHBondContact O-N 3.17Å; A219-L221 VanDerWaalsContact C-N 3.32Å; A219-L221 PolarHBondContact O-N 2.98Å; L221-Y223 HydrophobicContact CB-CD2 3.99Å; L221-Y223 HydrophobicContact CB-CE2 3.78Å; L221-Y223 HydrophobicContact CD1-CE2 3.71Å; L221-Y223 HydrophobicContact CG-CE2 4.42Å
222	G	81.8	Confident	87	Confident	8 Å²	8	53.5 Å²	53.5	8%	0.082	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	25.2	173.4	0	0	0	0	0	115.3	D218 A219 A220 Y224 C225 M226	D218-G222 PolarHBondContact O-N 3.14Å; A219-G222 PolarHBondContact O-N 3.37Å; A219-G222 VanDerWaalsContact O-N 3.15Å; A220-G222 VanDerWaalsContact C-N 3.27Å; G222-Y224 PolarHBondContact O-N 2.89Å; G222-C225 CarbonylContact C-O 3.58Å; G222-C225 WeakPolarHBondContact CA-O 3.39Å; G222-C225 CarbonylContact O-C 3.21Å; G222-C225 PolarHBondContact O-N 3.13Å; G222-C225 VanDerWaalsContact O-O 3.09Å; G222-M226 WeakPolarHBondContact O-CE 3.45Å
223	Y	81.1	Confident	86.8	Confident	144 Å²	144	53 Å²	53	57%	0.565	27%	0.269	S	S	*	.	S	Bend	trans	-56.5	-48.9	-175.3	-79.7	-74.6	0	0	0	114.4	D218 L221	D218-Y223 HydrophobicContact CB-CD2 3.75Å; D218-Y223 HydrophobicContact CB-CE2 4.24Å; D218-Y223 VanDerWaalsContact O-CD2 3.29Å; D218-Y223 WeakPolarHBondContact O-CD2 3.49Å; D218-Y223 PolarHBondContact O-N 2.92Å; L221-Y223 HydrophobicContact CB-CD2 3.99Å; L221-Y223 HydrophobicContact CB-CE2 3.78Å; L221-Y223 HydrophobicContact CD1-CE2 3.71Å; L221-Y223 HydrophobicContact CG-CE2 4.42Å
224	Y	82	Confident	86.5	Confident	128 Å²	128	49.5 Å²	49.5	50%	0.502	25%	0.254	S	S	.	.	S	Bend	trans	-97.5	-2.4	177.4	-65.6	-77.3	0	0	0	113	H212 Q214 G222	H212-Y224 HydrophobicContact CB-CD1 4.04Å; H212-Y224 HydrophobicContact CB-CD2 4.42Å; H212-Y224 HydrophobicContact CB-CE1 3.81Å; H212-Y224 HydrophobicContact CB-CE2 4.23Å; H212-Y224 HydrophobicContact CB-CG 4.33Å; H212-Y224 AromaticContact CG-CE1 3.82Å; Q214-Y224 HydrophobicContact CB-CD2 4.23Å; Q214-Y224 HydrophobicContact CB-CE2 4.25Å; Q214-Y224 HydrophobicContact CG-CD2 4.4Å; Q214-Y224 VanDerWaalsContact OE1-CD2 3.3Å; G222-Y224 PolarHBondContact O-N 2.89Å
225	C	81.8	Confident	86.2	Confident	8 Å²	8	53.4 Å²	53.4	5%	0.054	27%	0.269	C	S	.	.			trans	-153	105.4	-176.8	-166.2	0	0	0	0	110.8	T210 G222 A227 C323	T210-C225 HydrophobicContact CG2-CB 3.97Å; G222-C225 CarbonylContact C-O 3.58Å; G222-C225 WeakPolarHBondContact CA-O 3.39Å; G222-C225 CarbonylContact O-C 3.21Å; G222-C225 PolarHBondContact O-N 3.13Å; G222-C225 VanDerWaalsContact O-O 3.09Å; C225-A227 PolarHBondContact O-N 2.84Å; C225-C323 HydrophobicContact CB-CB 4.26Å; C225-C323 WeakPolarHBondContact CB-SG 3.35Å; C225-C323 WeakPolarHBondContact SG-CB 3.27Å; C225-C323 CovalentContact SG-SG 1.99Å; C225-C323 PolarHBondContact SG-SG 3.46Å
226	M	77.9	Confident	85.9	Confident	168 Å²	168	52.8 Å²	52.8	83%	0.828	26%	0.264	S	S	*	.	S	Bend	trans	-72	-10.4	-178.7	-61.8	-65.7	139.1	0	0	113.1	G222	G222-M226 WeakPolarHBondContact O-CE 3.45Å
227	A	82.2	Confident	85.8	Confident	23 Å²	23	52.4 Å²	52.4	19%	0.19	26%	0.262	C	S	.	.	S	Bend	trans	-86.4	170.2	173.4	0	0	0	0	0	110.9	W199 C225 C323 M325	W199-A227 HydrophobicContact CH2-CB 3.57Å; W199-A227 HydrophobicContact CZ2-CB 4.42Å; W199-A227 HydrophobicContact CZ3-CB 4.31Å; C225-A227 PolarHBondContact O-N 2.84Å; A227-C323 HydrophobicContact CB-CB 4.25Å; A227-M325 HydrophobicContact CB-CB 4.13Å
228	S	86.6	Confident	85.8	Confident	51 Å²	51	48.1 Å²	48.1	36%	0.357	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	146.7	176.8	-76	0	0	0	0	112.1	H274 C323 K324	S228-H274 WeakPolarHBondContact CB-CE1 3.39Å; S228-H274 PolarHBondContact OG-CE1 3.37Å; S228-H274 PolarHBondContact OG-ND1 3.35Å; S228-H274 VanDerWaalsContact OG-ND1 3.1Å; S228-C323 WeakPolarHBondContact O-CA 3.33Å; S228-K324 PolarHBondContact O-N 3.12Å
229	L	90	Very high	85.8	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.037	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	147.5	168.1	-71.7	177.5	0	0	0	110.1	F216 A219 A220 T231 L272	F216-L229 HydrophobicContact CE2-CD1 4.13Å; A219-L229 HydrophobicContact CB-CD1 4.19Å; A219-L229 HydrophobicContact CB-CD2 4.1Å; A220-L229 HydrophobicContact CB-CD1 4.36Å; L229-T231 PolarHBondContact O-N 2.67Å; L229-L272 HydrophobicContact CD1-CD1 3.93Å
230	L	90.9	Very high	85.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-56.3	125.1	-176.3	175.7	63.2	0	0	0	111.6	Y207 V232 V241 I258 G259 W271 M300 V322 K324	Y207-L230 HydrophobicContact CD1-CD1 3.88Å; Y207-L230 HydrophobicContact CE1-CD1 3.61Å; L230-V232 HydrophobicContact CD2-CG2 4.05Å; L230-V232 HydrophobicContact CG-CG2 3.98Å; L230-V241 HydrophobicContact CD1-CG2 4.37Å; L230-V241 HydrophobicContact CD2-CB 4.38Å; L230-V241 HydrophobicContact CD2-CG1 3.84Å; L230-V241 HydrophobicContact CD2-CG2 3.68Å; L230-I258 HydrophobicContact CB-CG2 4.45Å; L230-I258 HydrophobicContact CD2-CG2 4.3Å; L230-G259 PolarHBondContact O-N 3.28Å; L230-W271 WeakPolarHBondContact O-CZ3 3.32Å; L230-M300 HydrophobicContact CD2-CE 3.53Å; L230-V322 HydrophobicContact CB-CB 3.92Å; L230-V322 HydrophobicContact CB-CG1 4.05Å; L230-V322 WeakPolarHBondContact CB-O 3.36Å; L230-V322 HydrophobicContact CD2-CB 3.88Å; L230-V322 HydrophobicContact CD2-CG1 3.64Å; L230-V322 HydrophobicContact CG-CG1 4.35Å; L230-V322 PolarHBondContact N-O 3.22Å; L230-K324 HydrophobicContact CD1-CB 4.08Å; L230-K324 HydrophobicContact CD1-CD 4.14Å
231	T	90.2	Very high	86	Confident	6 Å²	6	43.6 Å²	43.6	4%	0.037	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-101.3	134.6	160.7	56.2	0	0	0	0	108.4	L229 W271 H274 K324	L229-T231 PolarHBondContact O-N 2.67Å; T231-W271 HydrophobicContact CG2-CB 4.2Å; T231-W271 HydrophobicContact CG2-CD2 3.91Å; T231-W271 HydrophobicContact CG2-CE3 3.77Å; T231-W271 HydrophobicContact CG2-CG 4.1Å; T231-W271 HydrophobicContact CG2-CZ3 4.49Å; T231-H274 WeakPolarHBondContact CG2-NE2 3.28Å; T231-K324 PolarHBondContact O-NZ 2.93Å
232	V	88.8	Confident	86.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.			trans	-108	116.7	179.7	-174.5	0	0	0	0	108.7	L230 E237 Q238 W271 F283 W309	L230-V232 HydrophobicContact CD2-CG2 4.05Å; L230-V232 HydrophobicContact CG-CG2 3.98Å; V232-E237 WeakPolarHBondContact CA-OE2 3.48Å; V232-E237 HydrophobicContact CG1-CB 4.35Å; V232-Q238 HydrophobicContact CG1-CB 4.03Å; V232-W271 HydrophobicContact CB-CH2 3.94Å; V232-W271 HydrophobicContact CB-CZ2 4.04Å; V232-W271 HydrophobicContact CG2-CH2 4.07Å; V232-W271 VanDerWaalsContact O-CZ2 3.25Å; V232-W271 WeakPolarHBondContact O-CZ2 3.34Å; V232-F283 HydrophobicContact CG1-CD1 3.69Å; V232-F283 HydrophobicContact CG1-CE1 4Å; V232-W309 HydrophobicContact CB-CZ2 3.99Å; V232-W309 HydrophobicContact CG1-CZ2 4.29Å; V232-W309 HydrophobicContact CG2-CZ2 4.2Å
233	E	84.3	Confident	86.7	Confident	86 Å²	86	38.6 Å²	38.6	40%	0.402	19%	0.185	S	C	.	.			trans	-91.9	-33.2	-173.2	-67.1	169.9	-161.2	0	0	112.5	E237 T282 K324	E233-E237 WeakPolarHBondContact CB-OE2 3.46Å; E233-E237 PolarHBondContact N-OE2 2.86Å; E233-T282 PolarHBondContact O-OG1 2.66Å; E233-K324 IonicContact OE1-NZ 2.74Å; E233-K324 PolarHBondContact OE1-NZ 3.38Å
234	N	83.8	Confident	87.1	Confident	41 Å²	41	32.4 Å²	32.4	22%	0.219	16%	0.161	C	C	.	.	S	Bend	trans	-156.2	173.6	-175.9	62.7	50.2	0	0	0	112.7	F236 E237 Q238	N234-F236 PolarHBondContact O-N 2.67Å; N234-F236 WeakPolarHBondContact OD1-CA 3.33Å; N234-F236 WeakPolarHBondContact OD1-CB 3.35Å; N234-F236 PolarHBondContact OD1-N 3.43Å; N234-E237 PolarHBondContact O-N 3.42Å; N234-E237 PolarHBondContact OD1-N 2.9Å; N234-Q238 PolarHBondContact O-N 2.8Å
235	R	85.1	Confident	87.4	Confident	88 Å²	88	26.3 Å²	26.3	33%	0.332	14%	0.137	S	C	.	.	H	α-helix	trans	-60.7	-29.5	-180	72.3	178.8	-175	-159.7	-4.5	113.9	K161 A239 F283	K161-R235 PolarHBondContact O-NH2 3.34Å; R235-A239 WeakPolarHBondContact O-CB 3.4Å; R235-A239 PolarHBondContact O-N 3.13Å; R235-F283 HydrophobicContact CB-CD2 4.32Å; R235-F283 HydrophobicContact CB-CE2 3.73Å; R235-F283 HydrophobicContact CB-CZ 4.18Å
236	F	86.9	Confident	87.7	Confident	8 Å²	8	28.9 Å²	28.9	4%	0.035	16%	0.156	C	C	.	.	H	α-helix	trans	-74.7	-38	-179.4	-54	-72.5	0	0	0	111.2	W43 L93 V96 E97 L100 R202 N234 Q238 A239 F240	W43-F236 HydrophobicContact CH2-CB 4.01Å; W43-F236 VanDerWaalsContact CH2-O 3.26Å; W43-F236 WeakPolarHBondContact CH2-O 3.31Å; W43-F236 HydrophobicContact CZ3-CB 4.28Å; L93-F236 HydrophobicContact CB-CD1 4.31Å; L93-F236 WeakPolarHBondContact O-CD1 3.43Å; V96-F236 HydrophobicContact CB-CE1 4.11Å; V96-F236 HydrophobicContact CG1-CE1 3.97Å; V96-F236 HydrophobicContact CG1-CZ 3.94Å; E97-F236 HydrophobicContact CB-CB 4.18Å; E97-F236 HydrophobicContact CB-CD1 3.78Å; E97-F236 HydrophobicContact CB-CD2 4.05Å; E97-F236 HydrophobicContact CB-CE1 4.09Å; E97-F236 HydrophobicContact CB-CE2 4.35Å; E97-F236 HydrophobicContact CB-CG 3.75Å; E97-F236 HydrophobicContact CB-CZ 4.36Å; E97-F236 HydrophobicContact CG-CB 4.22Å; E97-F236 HydrophobicContact CG-CD2 4.09Å; E97-F236 HydrophobicContact CG-CG 4.07Å; L100-F236 HydrophobicContact CD1-CE2 3.78Å; L100-F236 HydrophobicContact CD1-CZ 3.7Å; R202-F236 VanDerWaalsContact NH2-C 3.33Å; N234-F236 PolarHBondContact O-N 2.67Å; N234-F236 WeakPolarHBondContact OD1-CA 3.33Å; N234-F236 WeakPolarHBondContact OD1-CB 3.35Å; N234-F236 PolarHBondContact OD1-N 3.43Å; F236-Q238 VanDerWaalsContact C-N 3.34Å; F236-A239 PolarHBondContact O-N 3.07Å; F236-F240 PolarHBondContact O-N 3.45Å
237	E	88.8	Confident	88	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.9	-42.1	172.6	-172.4	169.5	-149.2	0	0	110.9	Y207 V232 E233 N234 A239 F240 V241 K324	Y207-E237 HydrophobicContact CE1-CG 4.32Å; Y207-E237 VanDerWaalsContact CE1-OE1 3.27Å; Y207-E237 WeakPolarHBondContact CE1-OE1 3.47Å; Y207-E237 VanDerWaalsContact CZ-OE1 3.31Å; Y207-E237 PolarHBondContact OH-OE1 3.32Å; V232-E237 WeakPolarHBondContact CA-OE2 3.48Å; V232-E237 HydrophobicContact CG1-CB 4.35Å; E233-E237 WeakPolarHBondContact CB-OE2 3.46Å; E233-E237 PolarHBondContact N-OE2 2.86Å; N234-E237 PolarHBondContact O-N 3.42Å; N234-E237 PolarHBondContact OD1-N 2.9Å; E237-A239 PolarHBondContact O-N 3.02Å; E237-F240 PolarHBondContact O-N 3.05Å; E237-V241 VanDerWaalsContact O-CG2 3.23Å; E237-V241 WeakPolarHBondContact O-CG2 3.39Å; E237-V241 PolarHBondContact O-N 2.9Å; E237-K324 WeakPolarHBondContact OE1-CD 3.37Å; E237-K324 WeakPolarHBondContact OE1-CE 3.23Å; E237-K324 IonicContact OE1-NZ 2.76Å; E237-K324 PolarHBondContact OE1-NZ 3.24Å; E237-K324 IonicContact OE2-NZ 2.68Å; E237-K324 PolarHBondContact OE2-NZ 3.03Å
238	Q	90.5	Very high	88	Confident	5 Å²	5	27.7 Å²	27.7	2%	0.023	16%	0.159	C	C	.	.	H	α-helix	trans	-59	-46.7	173.5	-175.5	63.2	60.6	0	0	111.8	V232 N234 F236 F240 V241 N242 F283 N285 M300 G307	V232-Q238 HydrophobicContact CG1-CB 4.03Å; N234-Q238 PolarHBondContact O-N 2.8Å; F236-Q238 VanDerWaalsContact C-N 3.34Å; Q238-F240 PolarHBondContact O-N 2.86Å; Q238-V241 PolarHBondContact O-N 3.39Å; Q238-N242 PolarHBondContact NE2-OD1 3.29Å; Q238-N242 PolarHBondContact O-N 2.85Å; Q238-N242 PolarHBondContact O-OD1 3.13Å; Q238-N242 VanDerWaalsContact O-OD1 3.07Å; Q238-F283 HydrophobicContact CB-CE1 3.67Å; Q238-F283 HydrophobicContact CB-CZ 4.03Å; Q238-F283 HydrophobicContact CG-CE1 3.96Å; Q238-F283 HydrophobicContact CG-CZ 4.23Å; Q238-N285 HydrophobicContact CG-CB 4.35Å; Q238-M300 PolarHBondContact NE2-SD 3.32Å; Q238-M300 VanDerWaalsContact NE2-SD 3.44Å; Q238-G307 PolarHBondContact NE2-O 3.02Å
239	A	88.4	Confident	87.6	Confident	15 Å²	15	27.4 Å²	27.4	12%	0.124	16%	0.163	C	C	.	.	H	α-helix	trans	-63.6	-40.2	179.6	0	0	0	0	0	112.7	W43 L93 R235 F236 E237 N242 S243	W43-A239 HydrophobicContact CH2-CB 4.05Å; W43-A239 HydrophobicContact CZ2-CB 3.55Å; L93-A239 HydrophobicContact CD1-CB 3.92Å; R235-A239 WeakPolarHBondContact O-CB 3.4Å; R235-A239 PolarHBondContact O-N 3.13Å; F236-A239 PolarHBondContact O-N 3.07Å; E237-A239 PolarHBondContact O-N 3.02Å; A239-N242 PolarHBondContact O-N 3.24Å; A239-S243 PolarHBondContact O-N 2.88Å; A239-S243 PolarHBondContact O-OG 3.47Å
240	F	90.1	Very high	87	Confident	4 Å²	4	28.1 Å²	28.1	2%	0.018	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-46.7	172	169.2	-105	0	0	0	111.9	L40 W43 K200 R202 Y207 F236 E237 Q238 N242 S243 L244	L40-F240 HydrophobicContact CD1-CD2 4.23Å; L40-F240 HydrophobicContact CD1-CE2 3.89Å; W43-F240 HydrophobicContact CB-CD2 3.66Å; W43-F240 HydrophobicContact CB-CE2 4.15Å; W43-F240 HydrophobicContact CD2-CB 3.91Å; W43-F240 HydrophobicContact CD2-CD2 4.1Å; W43-F240 HydrophobicContact CE3-CB 3.9Å; W43-F240 HydrophobicContact CE3-CD2 4.34Å; W43-F240 HydrophobicContact CG-CB 4.42Å; W43-F240 AromaticContact CG-CD2 3.82Å; W43-F240 HydrophobicContact CG-CD2 3.82Å; W43-F240 HydrophobicContact CZ3-CB 4.23Å; K200-F240 HydrophobicContact CB-CZ 4.12Å; R202-F240 HydrophobicContact CB-CD1 4.16Å; R202-F240 HydrophobicContact CB-CD2 4.33Å; R202-F240 HydrophobicContact CB-CE1 3.95Å; R202-F240 HydrophobicContact CB-CE2 4.1Å; R202-F240 HydrophobicContact CB-CG 4.34Å; R202-F240 HydrophobicContact CB-CZ 3.9Å; R202-F240 HydrophobicContact CG-CD1 4.5Å; R202-F240 HydrophobicContact CG-CG 4.41Å; Y207-F240 HydrophobicContact CD1-CE1 4.29Å; Y207-F240 HydrophobicContact CD2-CD1 4.34Å; Y207-F240 AromaticContact CD2-CE1 3.5Å; Y207-F240 HydrophobicContact CD2-CE1 3.5Å; Y207-F240 VanDerWaalsContact CD2-CE1 3.5Å; Y207-F240 HydrophobicContact CD2-CZ 4.2Å; Y207-F240 HydrophobicContact CE2-CD1 4.48Å; Y207-F240 HydrophobicContact CE2-CE1 4.01Å; Y207-F240 HydrophobicContact CG-CD1 4.47Å; Y207-F240 AromaticContact CG-CE1 3.67Å; Y207-F240 HydrophobicContact CG-CE1 3.67Å; F236-F240 PolarHBondContact O-N 3.45Å; E237-F240 PolarHBondContact O-N 3.05Å; Q238-F240 PolarHBondContact O-N 2.86Å; F240-N242 VanDerWaalsContact C-N 3.3Å; F240-N242 PolarHBondContact O-N 2.97Å; F240-S243 WeakPolarHBondContact O-CB 3.39Å; F240-S243 PolarHBondContact O-N 2.87Å; F240-S243 VanDerWaalsContact O-N 3.12Å; F240-L244 PolarHBondContact O-N 3.01Å
241	V	91.1	Very high	86.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-39.9	179	172.4	0	0	0	0	110.6	L230 E237 Q238 S243 L244 L245 M300	L230-V241 HydrophobicContact CD1-CG2 4.37Å; L230-V241 HydrophobicContact CD2-CB 4.38Å; L230-V241 HydrophobicContact CD2-CG1 3.84Å; L230-V241 HydrophobicContact CD2-CG2 3.68Å; E237-V241 VanDerWaalsContact O-CG2 3.23Å; E237-V241 WeakPolarHBondContact O-CG2 3.39Å; E237-V241 PolarHBondContact O-N 2.9Å; Q238-V241 PolarHBondContact O-N 3.39Å; V241-S243 VanDerWaalsContact C-N 3.29Å; V241-S243 PolarHBondContact O-N 2.73Å; V241-L244 WeakPolarHBondContact O-CB 3.45Å; V241-L244 PolarHBondContact O-N 3.01Å; V241-L244 VanDerWaalsContact O-N 3.17Å; V241-L245 HydrophobicContact CG1-CD1 4.12Å; V241-L245 HydrophobicContact CG1-CG 4.25Å; V241-L245 VanDerWaalsContact O-CG 3.26Å; V241-L245 WeakPolarHBondContact O-CG 2.97Å; V241-L245 PolarHBondContact O-N 3.39Å; V241-M300 HydrophobicContact CG1-CE 3.58Å; V241-M300 HydrophobicContact CG1-SD 3.84Å
242	N	90.6	Very high	85.6	Confident	27 Å²	27	36.6 Å²	36.6	14%	0.144	22%	0.22	C	C	.	.	H	α-helix	trans	-58.6	-43.2	173.8	-65.6	-2	0	0	0	111.4	V37 Q238 A239 F240 L245 S246 L306 G307	V37-N242 HydrophobicContact CG1-CB 4.12Å; Q238-N242 PolarHBondContact NE2-OD1 3.29Å; Q238-N242 PolarHBondContact O-N 2.85Å; Q238-N242 PolarHBondContact O-OD1 3.13Å; Q238-N242 VanDerWaalsContact O-OD1 3.07Å; A239-N242 PolarHBondContact O-N 3.24Å; F240-N242 VanDerWaalsContact C-N 3.3Å; F240-N242 PolarHBondContact O-N 2.97Å; N242-L245 PolarHBondContact O-N 3.1Å; N242-S246 WeakPolarHBondContact O-CB 3.45Å; N242-S246 PolarHBondContact O-N 3.14Å; N242-L306 HydrophobicContact CB-CD2 4.37Å; N242-L306 WeakPolarHBondContact O-CD2 3.43Å; N242-G307 WeakPolarHBondContact OD1-CA 3.36Å
243	S	88.9	Confident	85.1	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-40.3	177	-50.2	0	0	0	0	111.6	E38 W43 A239 F240 V241 A247	E38-S243 WeakPolarHBondContact O-CB 3.37Å; E38-S243 PolarHBondContact O-OG 3Å; W43-S243 PolarHBondContact NE1-OG 3.06Å; A239-S243 PolarHBondContact O-N 2.88Å; A239-S243 PolarHBondContact O-OG 3.47Å; F240-S243 WeakPolarHBondContact O-CB 3.39Å; F240-S243 PolarHBondContact O-N 2.87Å; F240-S243 VanDerWaalsContact O-N 3.12Å; V241-S243 VanDerWaalsContact C-N 3.29Å; V241-S243 PolarHBondContact O-N 2.73Å; S243-A247 WeakPolarHBondContact O-CB 3.32Å; S243-A247 PolarHBondContact O-N 3.27Å
244	L	89.5	Confident	85.2	Confident	14 Å²	14	39.6 Å²	39.6	7%	0.073	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-45.5	176	177.4	64.5	0	0	0	112	K200 V209 F240 V241 N248	K200-L244 HydrophobicContact CB-CD1 4.01Å; K200-L244 HydrophobicContact CG-CD1 3.55Å; V209-L244 HydrophobicContact CG2-CD2 4.16Å; V209-L244 HydrophobicContact CG2-CG 4.24Å; F240-L244 PolarHBondContact O-N 3.01Å; V241-L244 WeakPolarHBondContact O-CB 3.45Å; V241-L244 PolarHBondContact O-N 3.01Å; V241-L244 VanDerWaalsContact O-N 3.17Å; L244-N248 PolarHBondContact O-N 3.29Å
245	L	89.8	Confident	85.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-48.1	177.5	-66.2	178.9	0	0	0	110.4	V209 V241 N242 A247 N248 T250 Y256 M300 L306 V322	V209-L245 HydrophobicContact CG2-CD2 3.87Å; V241-L245 HydrophobicContact CG1-CD1 4.12Å; V241-L245 HydrophobicContact CG1-CG 4.25Å; V241-L245 VanDerWaalsContact O-CG 3.26Å; V241-L245 WeakPolarHBondContact O-CG 2.97Å; V241-L245 PolarHBondContact O-N 3.39Å; N242-L245 PolarHBondContact O-N 3.1Å; L245-A247 VanDerWaalsContact C-N 3.34Å; L245-A247 PolarHBondContact O-N 2.79Å; L245-N248 PolarHBondContact O-N 2.88Å; L245-T250 VanDerWaalsContact C-OG1 3.24Å; L245-T250 PolarHBondContact O-N 2.56Å; L245-T250 PolarHBondContact O-OG1 2.69Å; L245-Y256 HydrophobicContact CD1-CD2 3.88Å; L245-Y256 HydrophobicContact CD1-CE2 4.16Å; L245-Y256 HydrophobicContact CD1-CG 4.36Å; L245-Y256 HydrophobicContact CD2-CD1 3.66Å; L245-Y256 HydrophobicContact CD2-CD2 3.86Å; L245-Y256 HydrophobicContact CD2-CE1 3.68Å; L245-Y256 HydrophobicContact CD2-CE2 3.88Å; L245-Y256 HydrophobicContact CD2-CG 3.77Å; L245-Y256 HydrophobicContact CG-CD2 4.46Å; L245-Y256 HydrophobicContact CG-CE2 4.45Å; L245-M300 HydrophobicContact CD1-SD 4.46Å; L245-L306 HydrophobicContact CB-CD1 3.99Å; L245-L306 HydrophobicContact CD1-CD1 4.34Å; L245-V322 HydrophobicContact CD2-CG2 4.14Å
246	S	86.9	Confident	86	Confident	62 Å²	62	34.8 Å²	34.8	43%	0.434	23%	0.226	S	C	.	.	H	α-helix	trans	-55.5	-46.9	176.9	-172.9	0	0	0	0	112.3	N242 N248 G249	N242-S246 WeakPolarHBondContact O-CB 3.45Å; N242-S246 PolarHBondContact O-N 3.14Å; S246-N248 PolarHBondContact O-N 2.93Å; S246-G249 PolarHBondContact O-N 2.9Å
247	A	84.6	Confident	86.3	Confident	68 Å²	68	34.4 Å²	34.4	56%	0.562	22%	0.224	S	C	*	.	H	α-helix	trans	-63.7	-26.3	177.9	0	0	0	0	0	113.6	L40 S243 L245 G249	L40-A247 HydrophobicContact CB-CB 4.38Å; L40-A247 HydrophobicContact CD2-CB 3.81Å; S243-A247 WeakPolarHBondContact O-CB 3.32Å; S243-A247 PolarHBondContact O-N 3.27Å; L245-A247 VanDerWaalsContact C-N 3.34Å; L245-A247 PolarHBondContact O-N 2.79Å; A247-G249 PolarHBondContact O-N 3.1Å
248	N	82.3	Confident	86.5	Confident	98 Å²	98	34.4 Å²	34.4	52%	0.524	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	4.4	177.2	-157.4	39.3	0	0	0	113.3	L244 L245 S246	L244-N248 PolarHBondContact O-N 3.29Å; L245-N248 PolarHBondContact O-N 2.88Å; S246-N248 PolarHBondContact O-N 2.93Å
249	G	78.8	Confident	86.6	Confident	44 Å²	44	34.2 Å²	34.2	45%	0.454	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	39.6	176.4	0	0	0	0	0	113.8	S246 A247 N251	S246-G249 PolarHBondContact O-N 2.9Å; A247-G249 PolarHBondContact O-N 3.1Å; G249-N251 PolarHBondContact O-N 3.3Å
250	T	77.1	Confident	86.7	Confident	22 Å²	22	33.5 Å²	33.5	14%	0.135	22%	0.218	C	C	.	.			trans	-58.5	130.9	177.7	-64.3	0	0	0	0	112.7	L245 M254 Y256 L306	L245-T250 VanDerWaalsContact C-OG1 3.24Å; L245-T250 PolarHBondContact O-N 2.56Å; L245-T250 PolarHBondContact O-OG1 2.69Å; T250-M254 HydrophobicContact CG2-CB 4.37Å; T250-Y256 WeakPolarHBondContact CB-OH 3.43Å; T250-Y256 HydrophobicContact CG2-CE2 3.77Å; T250-Y256 WeakPolarHBondContact CG2-OH 3.37Å; T250-Y256 PolarHBondContact OG1-OH 3.07Å; T250-L306 HydrophobicContact CG2-CD1 3.73Å
251	N	76.8	Confident	86.6	Confident	97 Å²	97	37.6 Å²	37.6	52%	0.519	24%	0.236	S	C	.	.			trans	-107.7	165.2	171.1	-68	-27.2	0	0	0	111.2	G249 S253 M254	G249-N251 PolarHBondContact O-N 3.3Å; N251-S253 PolarHBondContact O-N 3.38Å; N251-M254 HydrophobicContact CB-CE 4.45Å; N251-M254 HydrophobicContact CB-CG 4.48Å; N251-M254 PolarHBondContact O-N 2.93Å
252	S	74.8	Confident	86.3	Confident	88 Å²	88	38.2 Å²	38.2	62%	0.615	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.2	-179.1	-38.8	0	0	0	0	115.7	P304	S252-P304 WeakPolarHBondContact OG-CD 3.34Å
253	S	77.5	Confident	85.5	Confident	95 Å²	95	40.5 Å²	40.5	66%	0.664	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-8.6	177.7	63.1	0	0	0	0	113.5	N251	N251-S253 PolarHBondContact O-N 3.38Å
254	M	86.6	Confident	84.6	Confident	53 Å²	53	46.8 Å²	46.8	26%	0.261	28%	0.278	S	S	.	.			trans	-89.4	135	-175.2	-63.8	-179.1	178.1	0	0	110.4	T250 N251 Y256 G302	T250-M254 HydrophobicContact CG2-CB 4.37Å; N251-M254 HydrophobicContact CB-CE 4.45Å; N251-M254 HydrophobicContact CB-CG 4.48Å; N251-M254 PolarHBondContact O-N 2.93Å; M254-Y256 HydrophobicContact CB-CE2 4.1Å; M254-Y256 PolarHBondContact SD-OH 3.42Å; M254-G302 WeakPolarHBondContact O-CA 3.19Å; M254-G302 PolarHBondContact O-N 3.01Å
255	N	91.8	Very high	83.7	Confident	27 Å²	27	54.2 Å²	54.2	14%	0.144	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153.1	174.1	-66.4	-56.2	0	0	0	109.2	V299 M300 H317 A319 L320	N255-V299 HydrophobicContact CB-CB 4.14Å; N255-V299 HydrophobicContact CB-CG1 4.35Å; N255-V299 HydrophobicContact CB-CG2 4.15Å; N255-M300 CarbonylContact C-O 3.49Å; N255-M300 WeakPolarHBondContact CA-O 3.34Å; N255-H317 PolarHBondContact ND2-NE2 3.31Å; N255-A319 HydrophobicContact CB-CB 3.75Å; N255-A319 WeakPolarHBondContact O-CB 3.37Å; N255-L320 PolarHBondContact O-N 3.41Å
256	Y	93.4	Very high	82.6	Confident	1 Å²	1	61 Å²	61	0%	0.004	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	114	-177.2	-52.3	-89.5	0	0	0	111.5	V209 L245 T250 M254 I258 V299 M300 L320 V322	V209-Y256 HydrophobicContact CG1-CD1 3.77Å; V209-Y256 HydrophobicContact CG1-CE1 3.66Å; L245-Y256 HydrophobicContact CD1-CD2 3.88Å; L245-Y256 HydrophobicContact CD1-CE2 4.16Å; L245-Y256 HydrophobicContact CD1-CG 4.36Å; L245-Y256 HydrophobicContact CD2-CD1 3.66Å; L245-Y256 HydrophobicContact CD2-CD2 3.86Å; L245-Y256 HydrophobicContact CD2-CE1 3.68Å; L245-Y256 HydrophobicContact CD2-CE2 3.88Å; L245-Y256 HydrophobicContact CD2-CG 3.77Å; L245-Y256 HydrophobicContact CG-CD2 4.46Å; L245-Y256 HydrophobicContact CG-CE2 4.45Å; T250-Y256 WeakPolarHBondContact CB-OH 3.43Å; T250-Y256 HydrophobicContact CG2-CE2 3.77Å; T250-Y256 WeakPolarHBondContact CG2-OH 3.37Å; T250-Y256 PolarHBondContact OG1-OH 3.07Å; M254-Y256 HydrophobicContact CB-CE2 4.1Å; M254-Y256 PolarHBondContact SD-OH 3.42Å; Y256-I258 PolarHBondContact O-N 3.38Å; Y256-V299 CarbonylContact O-C 3.45Å; Y256-V299 VanDerWaalsContact O-CA 3.27Å; Y256-V299 WeakPolarHBondContact O-CA 3.37Å; Y256-M300 PolarHBondContact N-O 2.71Å; Y256-M300 PolarHBondContact O-N 3.12Å; Y256-L320 CarbonylContact C-O 3.51Å; Y256-L320 VanDerWaalsContact CA-O 3.31Å; Y256-L320 WeakPolarHBondContact CA-O 3.41Å; Y256-L320 HydrophobicContact CD1-CB 3.62Å; Y256-L320 HydrophobicContact CD1-CD1 4.21Å; Y256-L320 HydrophobicContact CE1-CB 3.9Å; Y256-L320 HydrophobicContact CE1-CD1 3.57Å; Y256-L320 HydrophobicContact CE1-CG 4.33Å; Y256-V322 HydrophobicContact CD1-CG2 4.43Å; Y256-V322 HydrophobicContact CG-CG2 4.36Å
257	W	94.4	Very high	82	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	133.5	174.7	-70.1	122.7	0	0	0	111.6	Q214 F216 A219 C297 V299 K312 H317 A319 L320 V322	Q214-W257 PolarHBondContact O-NE1 3.29Å; F216-W257 HydrophobicContact CB-CD2 4.04Å; F216-W257 HydrophobicContact CB-CE3 4.07Å; F216-W257 HydrophobicContact CB-CH2 4.04Å; F216-W257 HydrophobicContact CB-CZ2 3.97Å; F216-W257 HydrophobicContact CB-CZ3 4.08Å; F216-W257 AromaticContact CD2-CD2 3.93Å; F216-W257 HydrophobicContact CD2-CD2 3.93Å; F216-W257 AromaticContact CD2-CE3 3.53Å; F216-W257 HydrophobicContact CD2-CE3 3.53Å; F216-W257 HydrophobicContact CD2-CG 4.4Å; F216-W257 HydrophobicContact CD2-CZ3 4.04Å; F216-W257 HydrophobicContact CE2-CE3 4.45Å; F216-W257 HydrophobicContact CG-CE3 4.26Å; F216-W257 HydrophobicContact CG-CZ3 4.46Å; A219-W257 HydrophobicContact CB-CB 4.49Å; A219-W257 HydrophobicContact CB-CG 4.48Å; W257-C297 HydrophobicContact CE3-CB 4.16Å; W257-C297 HydrophobicContact CH2-CB 4.08Å; W257-C297 HydrophobicContact CZ3-CB 3.45Å; W257-C297 VanDerWaalsContact CZ3-CB 3.45Å; W257-V299 HydrophobicContact CD2-CG1 3.65Å; W257-V299 HydrophobicContact CE3-CB 4.44Å; W257-V299 HydrophobicContact CE3-CG1 3.2Å; W257-V299 HydrophobicContact CG-CG1 4.43Å; W257-V299 HydrophobicContact CH2-CG1 3.82Å; W257-V299 HydrophobicContact CZ2-CG1 4.23Å; W257-V299 HydrophobicContact CZ3-CG1 3.29Å; W257-K312 HydrophobicContact CH2-CB 4.02Å; W257-K312 HydrophobicContact CZ3-CB 4.43Å; W257-H317 HydrophobicContact CH2-CB 4.3Å; W257-H317 HydrophobicContact CZ2-CB 4.16Å; W257-H317 AromaticContact CZ2-CD2 3.96Å; W257-A319 HydrophobicContact CD2-CB 4.25Å; W257-A319 HydrophobicContact CG-CB 4.15Å; W257-A319 HydrophobicContact CZ2-CB 4.49Å; W257-L320 PolarHBondContact N-O 3.42Å; W257-V322 PolarHBondContact O-N 2.81Å
258	I	93.6	Very high	81.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	165.3	169.3	61.7	170.9	0	0	0	110.1	F216 L230 Y256 L260 W271 V298 M300 W309	F216-I258 WeakPolarHBondContact CE2-O 3.43Å; L230-I258 HydrophobicContact CB-CG2 4.45Å; L230-I258 HydrophobicContact CD2-CG2 4.3Å; Y256-I258 PolarHBondContact O-N 3.38Å; I258-L260 HydrophobicContact CD1-CB 4.01Å; I258-L260 HydrophobicContact CD1-CD2 4.47Å; I258-L260 HydrophobicContact CG1-CB 4.1Å; I258-L260 PolarHBondContact O-N 3.16Å; I258-W271 HydrophobicContact CB-CZ3 4.48Å; I258-W271 HydrophobicContact CD1-CH2 4.19Å; I258-W271 HydrophobicContact CD1-CZ3 4.21Å; I258-V298 HydrophobicContact CD1-CB 4.12Å; I258-V298 HydrophobicContact CD1-CG1 3.66Å; I258-V298 HydrophobicContact CG1-CB 3.96Å; I258-V298 HydrophobicContact CG1-CG1 3.96Å; I258-V298 WeakPolarHBondContact CG1-O 3.2Å; I258-V298 PolarHBondContact N-O 3.43Å; I258-M300 HydrophobicContact CG2-CE 3.18Å; I258-M300 HydrophobicContact CG2-CG 3.9Å; I258-M300 HydrophobicContact CG2-SD 4.17Å; I258-W309 HydrophobicContact CD1-CD2 4.12Å; I258-W309 HydrophobicContact CD1-CG 4.31Å
259	G	90.8	Very high	81.8	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	22.3	-175.4	0	0	0	0	0	115.6	L230 W271 L272	L230-G259 PolarHBondContact O-N 3.28Å; G259-W271 CarbonylContact O-C 3.46Å; G259-W271 WeakPolarHBondContact O-CA 3.24Å; G259-L272 WeakPolarHBondContact O-CG 3.5Å; G259-L272 PolarHBondContact O-N 3.28Å
260	L	90.4	Very high	82.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.4	-174.8	-173.2	65.1	0	0	0	110.4	I258 R270 W271 L281 W286 V298 W309	I258-L260 HydrophobicContact CD1-CB 4.01Å; I258-L260 HydrophobicContact CD1-CD2 4.47Å; I258-L260 HydrophobicContact CG1-CB 4.1Å; I258-L260 PolarHBondContact O-N 3.16Å; L260-R270 VanDerWaalsContact CD1-C 3.46Å; L260-W271 HydrophobicContact CB-CE3 3.87Å; L260-W271 HydrophobicContact CB-CH2 4.27Å; L260-W271 HydrophobicContact CB-CZ3 3.67Å; L260-W271 HydrophobicContact CD1-CD2 4.22Å; L260-W271 HydrophobicContact CD1-CE3 4.27Å; L260-L281 HydrophobicContact CD1-CD1 4.14Å; L260-L281 HydrophobicContact CD2-CD1 4.45Å; L260-W286 HydrophobicContact CD2-CH2 4.23Å; L260-W286 HydrophobicContact CD2-CZ2 4.25Å; L260-V298 HydrophobicContact CB-CB 3.98Å; L260-V298 HydrophobicContact CB-CG2 3.99Å; L260-V298 HydrophobicContact CD2-CB 4.31Å; L260-V298 HydrophobicContact CD2-CG1 4.33Å; L260-V298 HydrophobicContact CD2-CG2 3.9Å; L260-V298 HydrophobicContact CG-CB 4.33Å; L260-V298 HydrophobicContact CG-CG2 3.83Å; L260-V298 WeakPolarHBondContact O-CG2 3.18Å; L260-V298 PolarHBondContact O-N 3.32Å; L260-W309 HydrophobicContact CD2-CE3 3.77Å; L260-W309 HydrophobicContact CD2-CZ3 3.61Å
261	K	89.3	Confident	82.6	Confident	90 Å²	90	53.7 Å²	53.7	39%	0.391	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	157.7	176.4	79.8	177.7	-175.5	-171.4	0	112	F216 Y269 R270 L272	F216-K261 HydrophobicContact CE1-CB 4.34Å; F216-K261 HydrophobicContact CE1-CD 4.22Å; F216-K261 HydrophobicContact CZ-CB 4.05Å; F216-K261 HydrophobicContact CZ-CD 4.49Å; K261-Y269 WeakPolarHBondContact O-CA 3.43Å; K261-R270 PolarHBondContact N-O 3.38Å; K261-R270 PolarHBondContact O-N 3.23Å; K261-L272 HydrophobicContact CD-CD2 3.84Å; K261-L272 HydrophobicContact CG-CD2 4.36Å
262	D	85.2	Confident	83	Confident	13 Å²	13	50.4 Å²	50.4	7%	0.07	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	133.4	170.9	-178.4	18.4	0	0	0	111.6	K265 K266 G267 E268 Y269 G295 G296	D262-K265 WeakPolarHBondContact OD2-CA 3.42Å; D262-K266 PolarHBondContact OD2-N 3.17Å; D262-G267 VanDerWaalsContact CG-N 3.35Å; D262-G267 PolarHBondContact OD1-N 2.85Å; D262-G267 PolarHBondContact OD2-N 2.91Å; D262-E268 WeakPolarHBondContact CA-O 3.44Å; D262-E268 PolarHBondContact OD1-N 3.46Å; D262-Y269 HydrophobicContact CB-CD1 4.13Å; D262-Y269 HydrophobicContact CB-CE1 3.89Å; D262-G295 WeakPolarHBondContact OD2-CA 3.48Å; D262-G295 PolarHBondContact OD2-N 2.79Å; D262-G296 PolarHBondContact N-O 3.26Å; D262-G296 VanDerWaalsContact N-O 3.17Å
263	Q	72.9	Confident	83.1	Confident	75 Å²	75	50.1 Å²	50.1	35%	0.35	24%	0.244	S	C	.	.	S	Bend	trans	-84.2	118.6	176.2	-171.7	167.7	5.5	0	0	110.9	K265 K266 E268 R270	Q263-K265 PolarHBondContact O-N 2.9Å; Q263-K266 PolarHBondContact O-N 2.85Å; Q263-E268 PolarHBondContact N-O 3.38Å; Q263-R270 VanDerWaalsContact OE1-CD 3.29Å
264	E	70.6	Confident	82.5	Confident	135 Å²	135	48.3 Å²	48.3	63%	0.631	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	22.8	171	-60.5	175.9	178.9	0	0	115.5	K266	E264-K266 HydrophobicContact CB-CD 4.24Å; E264-K266 HydrophobicContact CB-CG 4.31Å; E264-K266 PolarHBondContact O-N 3.49Å; E264-K266 VanDerWaalsContact OE2-CE 3.3Å; E264-K266 WeakPolarHBondContact OE2-CE 3.48Å; E264-K266 IonicContact OE2-NZ 3.89Å; E264-K266 PolarHBondContact OE2-NZ 3.05Å
265	K	69.2	Low	81.4	Confident	170 Å²	170	54.4 Å²	54.4	74%	0.739	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	29.2	-177.3	-54.6	-176	177	-173.2	0	113.5	D262 Q263	D262-K265 WeakPolarHBondContact OD2-CA 3.42Å; Q263-K265 PolarHBondContact O-N 2.9Å
266	K	68.2	Low	79.9	Confident	143 Å²	143	56.9 Å²	56.9	62%	0.622	29%	0.291	S	S	*	.	S	Bend	trans	-87.7	-9	179.9	-70.7	173.2	172.9	165.1	0	112.6	D262 Q263 E264	D262-K266 PolarHBondContact OD2-N 3.17Å; Q263-K266 PolarHBondContact O-N 2.85Å; E264-K266 HydrophobicContact CB-CD 4.24Å; E264-K266 HydrophobicContact CB-CG 4.31Å; E264-K266 PolarHBondContact O-N 3.49Å; E264-K266 VanDerWaalsContact OE2-CE 3.3Å; E264-K266 WeakPolarHBondContact OE2-CE 3.48Å; E264-K266 IonicContact OE2-NZ 3.89Å; E264-K266 PolarHBondContact OE2-NZ 3.05Å
267	G	73.1	Confident	78.2	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	81.8	21.3	-175.1	0	0	0	0	0	113.3	D262 T440 S441	D262-G267 VanDerWaalsContact CG-N 3.35Å; D262-G267 PolarHBondContact OD1-N 2.85Å; D262-G267 PolarHBondContact OD2-N 2.91Å; G267-T440 VanDerWaalsContact O-CB 3.32Å; G267-T440 WeakPolarHBondContact O-CB 3.23Å; G267-T440 PolarHBondContact O-OG1 3Å; G267-S441 PolarHBondContact O-N 3.38Å; G267-S441 VanDerWaalsContact O-N 3.13Å
268	E	79.1	Confident	76.8	Confident	39 Å²	39	63.1 Å²	63.1	18%	0.182	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-114.4	113.8	177.5	-171.7	-168.3	172.9	0	0	110.2	D262 Q263 R270 T440	D262-E268 WeakPolarHBondContact CA-O 3.44Å; D262-E268 PolarHBondContact OD1-N 3.46Å; Q263-E268 PolarHBondContact N-O 3.38Å; E268-R270 HydrophobicContact CG-CG 4.37Å; E268-T440 HydrophobicContact CB-CG2 4.18Å; E268-T440 HydrophobicContact CG-CG2 4.18Å
269	Y	85	Confident	75.7	Confident	1 Å²	1	66.8 Å²	66.8	0%	0.004	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	124.3	-176.9	-66.3	-89.8	0	0	0	111.7	K261 D262 W286 P291 S293 V298 V311 V439	K261-Y269 WeakPolarHBondContact O-CA 3.43Å; D262-Y269 HydrophobicContact CB-CD1 4.13Å; D262-Y269 HydrophobicContact CB-CE1 3.89Å; Y269-W286 AromaticContact CD1-CH2 4Å; Y269-W286 HydrophobicContact CD1-CH2 4Å; Y269-W286 HydrophobicContact CD2-CH2 4.04Å; Y269-W286 HydrophobicContact CD2-CZ2 4.01Å; Y269-W286 HydrophobicContact CE1-CH2 4.18Å; Y269-W286 HydrophobicContact CE2-CH2 4.22Å; Y269-W286 HydrophobicContact CE2-CZ2 4.49Å; Y269-W286 AromaticContact CG-CH2 3.93Å; Y269-W286 HydrophobicContact CG-CH2 3.93Å; Y269-W286 HydrophobicContact CG-CZ2 4.07Å; Y269-P291 HydrophobicContact CD2-CG 4.49Å; Y269-P291 HydrophobicContact CE2-CB 3.7Å; Y269-P291 HydrophobicContact CE2-CG 4Å; Y269-S293 PolarHBondContact OH-O 2.96Å; Y269-V298 HydrophobicContact CD1-CG2 3.7Å; Y269-V298 HydrophobicContact CE1-CG2 3.9Å; Y269-V311 HydrophobicContact CE1-CG1 4.38Å; Y269-V311 HydrophobicContact CE1-CG2 4.03Å; Y269-V311 WeakPolarHBondContact OH-CG1 3.3Å; Y269-V311 VanDerWaalsContact OH-CG2 3.23Å; Y269-V311 WeakPolarHBondContact OH-CG2 3.26Å; Y269-V439 PolarHBondContact N-O 3.43Å
270	R	85.2	Confident	74.9	Confident	91 Å²	91	70.6 Å²	70.6	34%	0.343	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.4	178.6	-57.7	-176.8	80.2	-178.1	9.2	111.6	L260 K261 Q263 E268	L260-R270 VanDerWaalsContact CD1-C 3.46Å; K261-R270 PolarHBondContact N-O 3.38Å; K261-R270 PolarHBondContact O-N 3.23Å; Q263-R270 VanDerWaalsContact OE1-CD 3.29Å; E268-R270 HydrophobicContact CG-CG 4.37Å
271	W	87.5	Confident	74.4	Confident	9 Å²	9	71.6 Å²	71.6	3%	0.034	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	144.9	174.1	-65.5	117.6	0	0	0	110.6	L230 T231 V232 I258 G259 L260 L281 W309	L230-W271 WeakPolarHBondContact O-CZ3 3.32Å; T231-W271 HydrophobicContact CG2-CB 4.2Å; T231-W271 HydrophobicContact CG2-CD2 3.91Å; T231-W271 HydrophobicContact CG2-CE3 3.77Å; T231-W271 HydrophobicContact CG2-CG 4.1Å; T231-W271 HydrophobicContact CG2-CZ3 4.49Å; V232-W271 HydrophobicContact CB-CH2 3.94Å; V232-W271 HydrophobicContact CB-CZ2 4.04Å; V232-W271 HydrophobicContact CG2-CH2 4.07Å; V232-W271 VanDerWaalsContact O-CZ2 3.25Å; V232-W271 WeakPolarHBondContact O-CZ2 3.34Å; I258-W271 HydrophobicContact CB-CZ3 4.48Å; I258-W271 HydrophobicContact CD1-CH2 4.19Å; I258-W271 HydrophobicContact CD1-CZ3 4.21Å; G259-W271 CarbonylContact O-C 3.46Å; G259-W271 WeakPolarHBondContact O-CA 3.24Å; L260-W271 HydrophobicContact CB-CE3 3.87Å; L260-W271 HydrophobicContact CB-CH2 4.27Å; L260-W271 HydrophobicContact CB-CZ3 3.67Å; L260-W271 HydrophobicContact CD1-CD2 4.22Å; L260-W271 HydrophobicContact CD1-CE3 4.27Å; W271-L281 HydrophobicContact CZ2-CD1 3.62Å; W271-W309 HydrophobicContact CH2-CH2 4.14Å; W271-W309 HydrophobicContact CH2-CZ2 4.45Å; W271-W309 HydrophobicContact CZ2-CH2 4.08Å
272	L	84.9	Confident	74.1	Confident	28 Å²	28	70.1 Å²	70.1	15%	0.147	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-57.5	135.4	171.3	-71.7	173.4	0	0	0	109.4	F216 A220 L229 G259 K261 H274	F216-L272 HydrophobicContact CZ-CD1 3.95Å; F216-L272 HydrophobicContact CZ-CD2 4.35Å; F216-L272 HydrophobicContact CZ-CG 4.35Å; A220-L272 HydrophobicContact CB-CD1 4.15Å; L229-L272 HydrophobicContact CD1-CD1 3.93Å; G259-L272 WeakPolarHBondContact O-CG 3.5Å; G259-L272 PolarHBondContact O-N 3.28Å; K261-L272 HydrophobicContact CD-CD2 3.84Å; K261-L272 HydrophobicContact CG-CD2 4.36Å; L272-H274 PolarHBondContact O-N 3.19Å
273	P	76.6	Confident	74.1	Confident	82 Å²	82	71.4 Å²	71.4	53%	0.532	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-66.7	132.5	-177.1	25.5	-32.7	0	0	0	111	S277	P273-S277 WeakPolarHBondContact CA-O 3.18Å
274	H	65.6	Low	74.8	Confident	56 Å²	56	69.1 Å²	69.1	26%	0.259	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-100.1	122.7	170.5	-68.4	-45.7	0	0	0	109.2	S228 T231 L272 G276 S277	S228-H274 WeakPolarHBondContact CB-CE1 3.39Å; S228-H274 PolarHBondContact OG-CE1 3.37Å; S228-H274 PolarHBondContact OG-ND1 3.35Å; S228-H274 VanDerWaalsContact OG-ND1 3.1Å; T231-H274 WeakPolarHBondContact CG2-NE2 3.28Å; L272-H274 PolarHBondContact O-N 3.19Å; H274-G276 PolarHBondContact O-N 3.23Å; H274-S277 PolarHBondContact N-O 3.44Å; H274-S277 PolarHBondContact O-N 3.29Å
275	N	62.2	Low	75.6	Confident	182 Å²	182	63.8 Å²	63.8	97%	0.973	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	30.9	179.8	-63.3	-20.2	0	0	0	114.7
276	G	60.1	Low	76.5	Confident	79 Å²	79	56 Å²	56	81%	0.814	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	0.1	179.4	0	0	0	0	0	115.7	H274	H274-G276 PolarHBondContact O-N 3.23Å
277	S	58.6	Low	77.4	Confident	83 Å²	83	50.6 Å²	50.6	58%	0.58	30%	0.299	S	S	*	.	B	Isolated β-bridge	trans	-109.7	135	171.4	-162.8	0	0	0	0	111.2	P273 H274	P273-S277 WeakPolarHBondContact CA-O 3.18Å; H274-S277 PolarHBondContact N-O 3.44Å; H274-S277 PolarHBondContact O-N 3.29Å
278	S	64	Low	77.7	Confident	49 Å²	49	54.6 Å²	54.6	34%	0.343	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-93.4	124.2	173.1	58.8	0	0	0	0	109.7
279	L	71.5	Confident	77.5	Confident	76 Å²	76	55.3 Å²	55.3	40%	0.398	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-73	139.6	170.7	-67.9	167.2	0	0	0	110
280	P	74.3	Confident	77.2	Confident	82 Å²	82	56.6 Å²	56.6	53%	0.532	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-65.2	151.2	172.9	28.4	-33.2	0	0	0	110.9	T282	P280-T282 HydrophobicContact CG-CG2 4.36Å; P280-T282 PolarHBondContact O-N 2.91Å
281	L	80.3	Confident	76.9	Confident	20 Å²	20	52.6 Å²	52.6	11%	0.105	31%	0.312	C	S	.	.			trans	-81.5	105.1	171.5	-171.8	69.5	0	0	0	107.9	L260 W271 F283 W309 P437 V439	L260-L281 HydrophobicContact CD1-CD1 4.14Å; L260-L281 HydrophobicContact CD2-CD1 4.45Å; W271-L281 HydrophobicContact CZ2-CD1 3.62Å; L281-F283 VanDerWaalsContact CD1-O 3.26Å; L281-F283 WeakPolarHBondContact CD1-O 3.42Å; L281-F283 WeakPolarHBondContact CG-O 3.47Å; L281-W309 HydrophobicContact CD1-CH2 4.28Å; L281-W309 HydrophobicContact CD1-CZ3 4.21Å; L281-P437 WeakPolarHBondContact O-CG 3.37Å; L281-V439 HydrophobicContact CB-CG1 3.89Å; L281-V439 HydrophobicContact CD2-CB 4.37Å; L281-V439 HydrophobicContact CD2-CG1 3.57Å; L281-V439 HydrophobicContact CG-CG1 4.23Å
282	T	81.9	Confident	76	Confident	59 Å²	59	56.6 Å²	56.6	36%	0.362	34%	0.337	S	S	.	.			trans	-96	-17.1	-178.9	48.7	0	0	0	0	113.1	E233 P280	E233-T282 PolarHBondContact O-OG1 2.66Å; P280-T282 HydrophobicContact CG-CG2 4.36Å; P280-T282 PolarHBondContact O-N 2.91Å
283	F	84.7	Confident	75.1	Confident	41 Å²	41	57.8 Å²	57.8	18%	0.18	35%	0.347	C	S	.	.			trans	-143.3	146.3	-176.3	173.7	-101.1	0	0	0	110.2	V232 R235 Q238 L281 N285 W309	V232-F283 HydrophobicContact CG1-CD1 3.69Å; V232-F283 HydrophobicContact CG1-CE1 4Å; R235-F283 HydrophobicContact CB-CD2 4.32Å; R235-F283 HydrophobicContact CB-CE2 3.73Å; R235-F283 HydrophobicContact CB-CZ 4.18Å; Q238-F283 HydrophobicContact CB-CE1 3.67Å; Q238-F283 HydrophobicContact CB-CZ 4.03Å; Q238-F283 HydrophobicContact CG-CE1 3.96Å; Q238-F283 HydrophobicContact CG-CZ 4.23Å; L281-F283 VanDerWaalsContact CD1-O 3.26Å; L281-F283 WeakPolarHBondContact CD1-O 3.42Å; L281-F283 WeakPolarHBondContact CG-O 3.47Å; F283-N285 HydrophobicContact CE1-CB 3.8Å; F283-N285 HydrophobicContact CZ-CB 3.85Å; F283-W309 HydrophobicContact CD1-CH2 4.27Å; F283-W309 HydrophobicContact CD1-CZ2 4.09Å; F283-W309 HydrophobicContact CE1-CZ2 4.17Å; F283-W309 VanDerWaalsContact O-CH2 3.23Å; F283-W309 WeakPolarHBondContact O-CH2 3.41Å
284	S	87.8	Confident	74.7	Confident	26 Å²	26	56.9 Å²	56.9	18%	0.182	35%	0.347	C	S	.	.			trans	-141.9	140.3	174.9	61.8	0	0	0	0	111.7	W309 P437 I438	S284-W309 VanDerWaalsContact CA-CZ3 3.48Å; S284-P437 WeakPolarHBondContact OG-CA 3.43Å; S284-I438 PolarHBondContact OG-N 3.39Å
285	N	88.5	Confident	75.2	Confident	24 Å²	24	55 Å²	55	13%	0.128	34%	0.343	C	S	.	.			trans	-132.9	57.2	179	-170.7	35.1	0	0	0	112.1	Q238 F283 G307 H308 W309	Q238-N285 HydrophobicContact CG-CB 4.35Å; F283-N285 HydrophobicContact CE1-CB 3.8Å; F283-N285 HydrophobicContact CZ-CB 3.85Å; N285-G307 PolarHBondContact ND2-O 2.84Å; N285-H308 CarbonylContact O-C 3.08Å; N285-H308 WeakPolarHBondContact O-CA 3.47Å; N285-H308 PolarHBondContact OD1-CE1 3.26Å; N285-H308 PolarHBondContact OD1-ND1 2.83Å; N285-W309 HydrophobicContact CB-CD2 4.36Å; N285-W309 HydrophobicContact CB-CZ2 4.39Å; N285-W309 PolarHBondContact O-N 3.05Å
286	W	87.9	Confident	76.5	Confident	7 Å²	7	47.1 Å²	47.1	3%	0.027	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-63.9	149.1	-177	-63.7	107.4	0	0	0	113.1	L260 Y269 Q290 P291 V298 H308 W309 V311 I438	L260-W286 HydrophobicContact CD2-CH2 4.23Å; L260-W286 HydrophobicContact CD2-CZ2 4.25Å; Y269-W286 AromaticContact CD1-CH2 4Å; Y269-W286 HydrophobicContact CD1-CH2 4Å; Y269-W286 HydrophobicContact CD2-CH2 4.04Å; Y269-W286 HydrophobicContact CD2-CZ2 4.01Å; Y269-W286 HydrophobicContact CE1-CH2 4.18Å; Y269-W286 HydrophobicContact CE2-CH2 4.22Å; Y269-W286 HydrophobicContact CE2-CZ2 4.49Å; Y269-W286 AromaticContact CG-CH2 3.93Å; Y269-W286 HydrophobicContact CG-CH2 3.93Å; Y269-W286 HydrophobicContact CG-CZ2 4.07Å; W286-Q290 HydrophobicContact CB-CB 4.23Å; W286-Q290 HydrophobicContact CE3-CB 4.01Å; W286-P291 HydrophobicContact CD2-CB 4.37Å; W286-P291 HydrophobicContact CD2-CG 4.21Å; W286-P291 HydrophobicContact CE3-CB 4.12Å; W286-P291 HydrophobicContact CE3-CG 4.46Å; W286-P291 HydrophobicContact CH2-CB 3.98Å; W286-P291 HydrophobicContact CH2-CG 4.3Å; W286-P291 HydrophobicContact CZ2-CB 4.23Å; W286-P291 HydrophobicContact CZ2-CG 4.03Å; W286-P291 HydrophobicContact CZ3-CB 3.93Å; W286-V298 HydrophobicContact CH2-CG1 4.3Å; W286-V298 HydrophobicContact CH2-CG2 3.72Å; W286-V298 HydrophobicContact CZ3-CG1 3.96Å; W286-V298 HydrophobicContact CZ3-CG2 4Å; W286-H308 PolarHBondContact O-ND1 3.2Å; W286-W309 HydrophobicContact CD2-CB 4.25Å; W286-W309 HydrophobicContact CD2-CE3 4.36Å; W286-W309 HydrophobicContact CE3-CB 3.69Å; W286-W309 HydrophobicContact CZ2-CE3 4.39Å; W286-W309 HydrophobicContact CZ3-CB 4.08Å; W286-V311 HydrophobicContact CH2-CG2 4.2Å; W286-V311 HydrophobicContact CZ3-CG2 3.71Å; W286-I438 PolarHBondContact NE1-O 2.88Å
287	N	85.9	Confident	77.9	Confident	29 Å²	29	43.5 Å²	43.5	16%	0.155	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-78.9	171.2	172.7	-155.2	-5.9	0	0	0	111.4	H289 Q290 A305 H308 W309 E310	N287-H289 PolarHBondContact O-N 3.03Å; N287-Q290 HydrophobicContact CB-CG 4.16Å; N287-Q290 WeakPolarHBondContact O-CB 3.42Å; N287-Q290 PolarHBondContact O-N 2.85Å; N287-A305 WeakPolarHBondContact ND2-CB 3.32Å; N287-H308 HydrophobicContact CB-CB 3.68Å; N287-W309 WeakPolarHBondContact CB-O 3.41Å; N287-W309 PolarHBondContact N-O 2.81Å; N287-E310 HydrophobicContact CB-CG 3.79Å; N287-E310 PolarHBondContact ND2-OE1 2.98Å
288	K	81.1	Confident	79.6	Confident	84 Å²	84	39.6 Å²	39.6	37%	0.365	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	127.9	175.3	-178.6	168.8	-178.6	171.4	0	110.9	Q290 G428 D451	K288-Q290 PolarHBondContact O-N 3Å; K288-G428 WeakPolarHBondContact CA-O 3.06Å; K288-D451 IonicContact NZ-OD1 2.71Å; K288-D451 PolarHBondContact NZ-OD1 3.05Å
289	H	74.8	Confident	81	Confident	53 Å²	53	37.2 Å²	37.2	25%	0.245	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	12.9	-176.3	-50.4	-64.3	0	0	0	116.7	N287 V292 G428 D445	N287-H289 PolarHBondContact O-N 3.03Å; H289-V292 WeakPolarHBondContact O-CG2 3.44Å; H289-G428 PolarHBondContact N-O 3.26Å; H289-D445 IonicContact CE1-OD2 3.44Å; H289-D445 PolarHBondContact CE1-OD2 2.77Å; H289-D445 IonicContact CG-OD2 2.7Å; H289-D445 IonicContact ND1-OD2 2.78Å; H289-D445 PolarHBondContact ND1-OD2 2.83Å
290	Q	79	Confident	82	Confident	29 Å²	29	33.6 Å²	33.6	14%	0.136	20%	0.204	C	C	.	.			trans	-100.7	151.6	176.7	-63.5	-72	-31.4	0	0	111.5	W286 N287 K288 E310 V311	W286-Q290 HydrophobicContact CB-CB 4.23Å; W286-Q290 HydrophobicContact CE3-CB 4.01Å; N287-Q290 HydrophobicContact CB-CG 4.16Å; N287-Q290 WeakPolarHBondContact O-CB 3.42Å; N287-Q290 PolarHBondContact O-N 2.85Å; K288-Q290 PolarHBondContact O-N 3Å; Q290-E310 HydrophobicContact CG-CG 4.17Å; Q290-V311 VanDerWaalsContact OE1-N 3.12Å
291	P	77.4	Confident	82.7	Confident	7 Å²	7	30 Å²	30	5%	0.045	18%	0.18	C	C	.	.			cis	-84.1	132.2	-2.3	28.4	-27.1	0	0	0	113.6	Y269 W286 V311	Y269-P291 HydrophobicContact CD2-CG 4.49Å; Y269-P291 HydrophobicContact CE2-CB 3.7Å; Y269-P291 HydrophobicContact CE2-CG 4Å; W286-P291 HydrophobicContact CD2-CB 4.37Å; W286-P291 HydrophobicContact CD2-CG 4.21Å; W286-P291 HydrophobicContact CE3-CB 4.12Å; W286-P291 HydrophobicContact CE3-CG 4.46Å; W286-P291 HydrophobicContact CH2-CB 3.98Å; W286-P291 HydrophobicContact CH2-CG 4.3Å; W286-P291 HydrophobicContact CZ2-CB 4.23Å; W286-P291 HydrophobicContact CZ2-CG 4.03Å; W286-P291 HydrophobicContact CZ3-CB 3.93Å; P291-V311 HydrophobicContact CB-CG2 3.65Å
292	V	68.8	Low	82.9	Confident	93 Å²	93	29.2 Å²	29.2	56%	0.564	18%	0.177	S	C	*	.			trans	-86.7	-30.3	-171.2	-177.4	0	0	0	0	114.2	H289	H289-V292 WeakPolarHBondContact O-CG2 3.44Å
293	S	67.3	Low	82.8	Confident	53 Å²	53	27.7 Å²	27.7	37%	0.371	17%	0.173	S	C	.	.	S	Bend	trans	-134.5	136.8	-166.3	61.4	0	0	0	0	114.2	Y269 G295	Y269-S293 PolarHBondContact OH-O 2.96Å; S293-G295 PolarHBondContact O-N 2.76Å; S293-G295 PolarHBondContact OG-O 2.91Å
294	A	68.1	Low	82.4	Confident	63 Å²	63	31.9 Å²	31.9	52%	0.521	21%	0.205	S	C	.	.	S	Bend	trans	-66.3	111.1	164.3	0	0	0	0	0	109.5
295	G	76.3	Confident	81.9	Confident	17 Å²	17	31.7 Å²	31.7	18%	0.175	21%	0.205	C	C	.	.	S	Bend	trans	105.6	137.8	-173.6	0	0	0	0	0	112.3	D262 S293	D262-G295 WeakPolarHBondContact OD2-CA 3.48Å; D262-G295 PolarHBondContact OD2-N 2.79Å; S293-G295 PolarHBondContact O-N 2.76Å; S293-G295 PolarHBondContact OG-O 2.91Å
296	G	87.6	Confident	81.9	Confident	16 Å²	16	31.7 Å²	31.7	17%	0.165	21%	0.205	C	C	.	.			trans	140.4	177.7	173.8	0	0	0	0	0	113	D262	D262-G296 PolarHBondContact N-O 3.26Å; D262-G296 VanDerWaalsContact N-O 3.17Å
297	C	91.3	Very high	81.8	Confident	3 Å²	3	31.3 Å²	31.3	2%	0.02	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	148.7	179.2	-66.5	0	0	0	0	108.9	F216 W257 K312 C314	F216-C297 HydrophobicContact CB-CB 3.96Å; F216-C297 HydrophobicContact CD1-CB 4.05Å; F216-C297 WeakPolarHBondContact CD1-SG 3.47Å; F216-C297 HydrophobicContact CD2-CB 3.55Å; F216-C297 HydrophobicContact CE1-CB 4.42Å; F216-C297 VanDerWaalsContact CE1-SG 3.5Å; F216-C297 HydrophobicContact CE2-CB 3.94Å; F216-C297 HydrophobicContact CG-CB 3.58Å; F216-C297 WeakPolarHBondContact CG-SG 3.39Å; F216-C297 HydrophobicContact CZ-CB 4.35Å; W257-C297 HydrophobicContact CE3-CB 4.16Å; W257-C297 HydrophobicContact CH2-CB 4.08Å; W257-C297 HydrophobicContact CZ3-CB 3.45Å; W257-C297 VanDerWaalsContact CZ3-CB 3.45Å; C297-K312 PolarHBondContact N-O 3.12Å; C297-K312 PolarHBondContact O-N 3.19Å; C297-K312 VanDerWaalsContact O-O 3.12Å; C297-C314 HydrophobicContact CB-CB 3.94Å; C297-C314 WeakPolarHBondContact CB-SG 3.28Å; C297-C314 PolarHBondContact N-SG 2.95Å; C297-C314 WeakPolarHBondContact SG-CB 3.38Å; C297-C314 CovalentContact SG-SG 2.03Å; C297-C314 PolarHBondContact SG-SG 2.88Å
298	V	92.9	Very high	81.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.1	-169.8	-173.9	0	0	0	0	111.1	I258 L260 Y269 W286 W309 E310	I258-V298 HydrophobicContact CD1-CB 4.12Å; I258-V298 HydrophobicContact CD1-CG1 3.66Å; I258-V298 HydrophobicContact CG1-CB 3.96Å; I258-V298 HydrophobicContact CG1-CG1 3.96Å; I258-V298 WeakPolarHBondContact CG1-O 3.2Å; I258-V298 PolarHBondContact N-O 3.43Å; L260-V298 HydrophobicContact CB-CB 3.98Å; L260-V298 HydrophobicContact CB-CG2 3.99Å; L260-V298 HydrophobicContact CD2-CB 4.31Å; L260-V298 HydrophobicContact CD2-CG1 4.33Å; L260-V298 HydrophobicContact CD2-CG2 3.9Å; L260-V298 HydrophobicContact CG-CB 4.33Å; L260-V298 HydrophobicContact CG-CG2 3.83Å; L260-V298 WeakPolarHBondContact O-CG2 3.18Å; L260-V298 PolarHBondContact O-N 3.32Å; Y269-V298 HydrophobicContact CD1-CG2 3.7Å; Y269-V298 HydrophobicContact CE1-CG2 3.9Å; W286-V298 HydrophobicContact CH2-CG1 4.3Å; W286-V298 HydrophobicContact CH2-CG2 3.72Å; W286-V298 HydrophobicContact CZ3-CG1 3.96Å; W286-V298 HydrophobicContact CZ3-CG2 4Å; V298-W309 HydrophobicContact CG1-CB 3.73Å; V298-W309 HydrophobicContact CG1-CG 4.24Å; V298-E310 WeakPolarHBondContact CA-O 3.3Å
299	V	93.1	Very high	82.5	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	152	170	-61.2	0	0	0	0	110.3	N255 Y256 W257 W309 E310 K312 A319	N255-V299 HydrophobicContact CB-CB 4.14Å; N255-V299 HydrophobicContact CB-CG1 4.35Å; N255-V299 HydrophobicContact CB-CG2 4.15Å; Y256-V299 CarbonylContact O-C 3.45Å; Y256-V299 VanDerWaalsContact O-CA 3.27Å; Y256-V299 WeakPolarHBondContact O-CA 3.37Å; W257-V299 HydrophobicContact CD2-CG1 3.65Å; W257-V299 HydrophobicContact CE3-CB 4.44Å; W257-V299 HydrophobicContact CE3-CG1 3.2Å; W257-V299 HydrophobicContact CG-CG1 4.43Å; W257-V299 HydrophobicContact CH2-CG1 3.82Å; W257-V299 HydrophobicContact CZ2-CG1 4.23Å; W257-V299 HydrophobicContact CZ3-CG1 3.29Å; V299-W309 CarbonylContact O-C 3.48Å; V299-W309 WeakPolarHBondContact O-CA 3.12Å; V299-E310 HydrophobicContact CG2-CB 4.03Å; V299-E310 PolarHBondContact N-O 2.89Å; V299-E310 PolarHBondContact O-N 2.78Å; V299-K312 HydrophobicContact CG1-CG 4.25Å; V299-K312 HydrophobicContact CG2-CG 3.61Å; V299-A319 HydrophobicContact CG1-CB 4.17Å
300	M	93.1	Very high	83.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.9	159.1	-74.6	-175.7	-77.4	0	0	110.1	L230 Q238 V241 L245 N255 Y256 I258 H308 V322	L230-M300 HydrophobicContact CD2-CE 3.53Å; Q238-M300 PolarHBondContact NE2-SD 3.32Å; Q238-M300 VanDerWaalsContact NE2-SD 3.44Å; V241-M300 HydrophobicContact CG1-CE 3.58Å; V241-M300 HydrophobicContact CG1-SD 3.84Å; L245-M300 HydrophobicContact CD1-SD 4.46Å; N255-M300 CarbonylContact C-O 3.49Å; N255-M300 WeakPolarHBondContact CA-O 3.34Å; Y256-M300 PolarHBondContact N-O 2.71Å; Y256-M300 PolarHBondContact O-N 3.12Å; I258-M300 HydrophobicContact CG2-CE 3.18Å; I258-M300 HydrophobicContact CG2-CG 3.9Å; I258-M300 HydrophobicContact CG2-SD 4.17Å; M300-H308 WeakPolarHBondContact CA-O 3.44Å; M300-V322 HydrophobicContact CE-CB 4.4Å; M300-V322 HydrophobicContact CE-CG2 3.83Å
301	S	89.9	Confident	83.7	Confident	5 Å²	5	25.9 Å²	25.9	4%	0.035	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	149.3	177.9	-63.9	0	0	0	0	112.1	L306 G307 H308 E310	S301-L306 WeakPolarHBondContact O-CA 3.26Å; S301-G307 PolarHBondContact O-N 3.12Å; S301-H308 PolarHBondContact N-O 3.5Å; S301-E310 WeakPolarHBondContact OG-CG 3.38Å; S301-E310 PolarHBondContact OG-OE1 3.11Å
302	G	83.6	Confident	84.3	Confident	5 Å²	5	28.4 Å²	28.4	5%	0.052	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-96.5	170.3	170.8	0	0	0	0	0	113.8	M254	M254-G302 WeakPolarHBondContact O-CA 3.19Å; M254-G302 PolarHBondContact O-N 3.01Å
303	G	79.3	Confident	85.3	Confident	27 Å²	27	28.2 Å²	28.2	28%	0.278	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	79.8	-133.2	173.7	0	0	0	0	0	114.1	A305 L306	G303-A305 VanDerWaalsContact C-N 3.25Å; G303-A305 PolarHBondContact O-N 3.15Å; G303-L306 WeakPolarHBondContact O-CB 3.24Å; G303-L306 PolarHBondContact O-N 3.43Å
304	P	76.3	Confident	86.4	Confident	128 Å²	128	26.9 Å²	26.9	83%	0.831	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-62.2	-27.8	-175.6	-23.6	32.9	0	0	0	114.7	S252	S252-P304 WeakPolarHBondContact OG-CD 3.34Å
305	A	79	Confident	87.4	Confident	23 Å²	23	30.6 Å²	30.6	19%	0.19	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-106.5	40.4	177.5	0	0	0	0	0	111.3	N287 G303 G307 H308	N287-A305 WeakPolarHBondContact ND2-CB 3.32Å; G303-A305 VanDerWaalsContact C-N 3.25Å; G303-A305 PolarHBondContact O-N 3.15Å; A305-G307 PolarHBondContact O-N 3.45Å; A305-H308 HydrophobicContact CB-CB 4.4Å; A305-H308 PolarHBondContact O-N 2.94Å; A305-H308 VanDerWaalsContact O-N 3.12Å
306	L	86.7	Confident	88	Confident	23 Å²	23	34.2 Å²	34.2	12%	0.12	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	123	-174.8	-175.1	68.5	0	0	0	111.7	V37 N242 L245 T250 S301 G303 H308	V37-L306 HydrophobicContact CG1-CD2 4.4Å; V37-L306 HydrophobicContact CG2-CD2 3.67Å; N242-L306 HydrophobicContact CB-CD2 4.37Å; N242-L306 WeakPolarHBondContact O-CD2 3.43Å; L245-L306 HydrophobicContact CB-CD1 3.99Å; L245-L306 HydrophobicContact CD1-CD1 4.34Å; T250-L306 HydrophobicContact CG2-CD1 3.73Å; S301-L306 WeakPolarHBondContact O-CA 3.26Å; G303-L306 WeakPolarHBondContact O-CB 3.24Å; G303-L306 PolarHBondContact O-N 3.43Å; L306-H308 VanDerWaalsContact C-N 3.29Å; L306-H308 PolarHBondContact O-N 2.78Å
307	G	86.1	Confident	88.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	-4.8	175.7	0	0	0	0	0	115.3	Q238 N242 N285 S301 A305 W309	Q238-G307 PolarHBondContact NE2-O 3.02Å; N242-G307 WeakPolarHBondContact OD1-CA 3.36Å; N285-G307 PolarHBondContact ND2-O 2.84Å; S301-G307 PolarHBondContact O-N 3.12Å; A305-G307 PolarHBondContact O-N 3.45Å; G307-W309 VanDerWaalsContact O-CD1 3.29Å
308	H	89.4	Confident	88.3	Confident	34 Å²	34	41.6 Å²	41.6	16%	0.157	23%	0.231	C	C	.	.			trans	-76.7	146.4	173.7	-71.8	-72.4	0	0	0	111.7	N285 W286 N287 M300 S301 A305 L306 H426	N285-H308 CarbonylContact O-C 3.08Å; N285-H308 WeakPolarHBondContact O-CA 3.47Å; N285-H308 PolarHBondContact OD1-CE1 3.26Å; N285-H308 PolarHBondContact OD1-ND1 2.83Å; W286-H308 PolarHBondContact O-ND1 3.2Å; N287-H308 HydrophobicContact CB-CB 3.68Å; M300-H308 WeakPolarHBondContact CA-O 3.44Å; S301-H308 PolarHBondContact N-O 3.5Å; A305-H308 HydrophobicContact CB-CB 4.4Å; A305-H308 PolarHBondContact O-N 2.94Å; A305-H308 VanDerWaalsContact O-N 3.12Å; L306-H308 VanDerWaalsContact C-N 3.29Å; L306-H308 PolarHBondContact O-N 2.78Å; H308-H426 AromaticContact CE1-CD2 3.6Å
309	W	92.1	Very high	88.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.6	-171.7	-56.3	-2.3	0	0	0	111.1	V232 I258 L260 W271 L281 F283 S284 N285 W286 N287 V298 V299 G307	V232-W309 HydrophobicContact CB-CZ2 3.99Å; V232-W309 HydrophobicContact CG1-CZ2 4.29Å; V232-W309 HydrophobicContact CG2-CZ2 4.2Å; I258-W309 HydrophobicContact CD1-CD2 4.12Å; I258-W309 HydrophobicContact CD1-CG 4.31Å; L260-W309 HydrophobicContact CD2-CE3 3.77Å; L260-W309 HydrophobicContact CD2-CZ3 3.61Å; W271-W309 HydrophobicContact CH2-CH2 4.14Å; W271-W309 HydrophobicContact CH2-CZ2 4.45Å; W271-W309 HydrophobicContact CZ2-CH2 4.08Å; L281-W309 HydrophobicContact CD1-CH2 4.28Å; L281-W309 HydrophobicContact CD1-CZ3 4.21Å; F283-W309 HydrophobicContact CD1-CH2 4.27Å; F283-W309 HydrophobicContact CD1-CZ2 4.09Å; F283-W309 HydrophobicContact CE1-CZ2 4.17Å; F283-W309 VanDerWaalsContact O-CH2 3.23Å; F283-W309 WeakPolarHBondContact O-CH2 3.41Å; S284-W309 VanDerWaalsContact CA-CZ3 3.48Å; N285-W309 HydrophobicContact CB-CD2 4.36Å; N285-W309 HydrophobicContact CB-CZ2 4.39Å; N285-W309 PolarHBondContact O-N 3.05Å; W286-W309 HydrophobicContact CD2-CB 4.25Å; W286-W309 HydrophobicContact CD2-CE3 4.36Å; W286-W309 HydrophobicContact CE3-CB 3.69Å; W286-W309 HydrophobicContact CZ2-CE3 4.39Å; W286-W309 HydrophobicContact CZ3-CB 4.08Å; N287-W309 WeakPolarHBondContact CB-O 3.41Å; N287-W309 PolarHBondContact N-O 2.81Å; V298-W309 HydrophobicContact CG1-CB 3.73Å; V298-W309 HydrophobicContact CG1-CG 4.24Å; V299-W309 CarbonylContact O-C 3.48Å; V299-W309 WeakPolarHBondContact O-CA 3.12Å; G307-W309 VanDerWaalsContact O-CD1 3.29Å
310	E	89.9	Confident	88.2	Confident	32 Å²	32	42.6 Å²	42.6	15%	0.15	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.9	176.8	-71.4	-178	-153.8	0	0	111.1	N287 Q290 V298 V299 S301 K312	N287-E310 HydrophobicContact CB-CG 3.79Å; N287-E310 PolarHBondContact ND2-OE1 2.98Å; Q290-E310 HydrophobicContact CG-CG 4.17Å; V298-E310 WeakPolarHBondContact CA-O 3.3Å; V299-E310 HydrophobicContact CG2-CB 4.03Å; V299-E310 PolarHBondContact N-O 2.89Å; V299-E310 PolarHBondContact O-N 2.78Å; S301-E310 WeakPolarHBondContact OG-CG 3.38Å; S301-E310 PolarHBondContact OG-OE1 3.11Å; E310-K312 WeakPolarHBondContact OE2-CE 3.3Å; E310-K312 IonicContact OE2-NZ 3.3Å; E310-K312 PolarHBondContact OE2-NZ 3.46Å
311	V	89.9	Confident	88.2	Confident	14 Å²	14	42.6 Å²	42.6	9%	0.085	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	124.8	173.9	-173.6	0	0	0	0	109	Y269 W286 Q290 P291	Y269-V311 HydrophobicContact CE1-CG1 4.38Å; Y269-V311 HydrophobicContact CE1-CG2 4.03Å; Y269-V311 WeakPolarHBondContact OH-CG1 3.3Å; Y269-V311 VanDerWaalsContact OH-CG2 3.23Å; Y269-V311 WeakPolarHBondContact OH-CG2 3.26Å; W286-V311 HydrophobicContact CH2-CG2 4.2Å; W286-V311 HydrophobicContact CZ3-CG2 3.71Å; Q290-V311 VanDerWaalsContact OE1-N 3.12Å; P291-V311 HydrophobicContact CB-CG2 3.65Å
312	K	90.4	Very high	88.4	Confident	60 Å²	60	42.4 Å²	42.4	26%	0.261	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	160.8	173.9	-59.2	-64.1	177.6	-162	0	110.7	W257 C297 V299 E310 C314 H317	W257-K312 HydrophobicContact CH2-CB 4.02Å; W257-K312 HydrophobicContact CZ3-CB 4.43Å; C297-K312 PolarHBondContact N-O 3.12Å; C297-K312 PolarHBondContact O-N 3.19Å; C297-K312 VanDerWaalsContact O-O 3.12Å; V299-K312 HydrophobicContact CG1-CG 4.25Å; V299-K312 HydrophobicContact CG2-CG 3.61Å; E310-K312 WeakPolarHBondContact OE2-CE 3.3Å; E310-K312 IonicContact OE2-NZ 3.3Å; E310-K312 PolarHBondContact OE2-NZ 3.46Å; K312-C314 PolarHBondContact O-N 2.92Å; K312-H317 HydrophobicContact CB-CB 4.02Å
313	D	89.6	Confident	88.7	Confident	89 Å²	89	42.1 Å²	42.1	48%	0.476	23%	0.232	S	C	.	.			trans	-68.9	126.2	175.1	-180	-93.4	0	0	0	110.5	K315 S316 H317	D313-K315 PolarHBondContact O-N 3.16Å; D313-K315 PolarHBondContact OD1-N 2.91Å; D313-S316 VanDerWaalsContact CB-OG 3.3Å; D313-S316 WeakPolarHBondContact CB-OG 3.41Å; D313-S316 VanDerWaalsContact CG-OG 3.22Å; D313-S316 WeakPolarHBondContact OD1-CB 3.38Å; D313-S316 PolarHBondContact OD1-N 3.29Å; D313-S316 PolarHBondContact OD1-OG 2.96Å; D313-H317 VanDerWaalsContact O-CB 3.26Å; D313-H317 WeakPolarHBondContact O-CB 3.44Å; D313-H317 PolarHBondContact O-N 2.04Å
314	C	89.8	Confident	89.2	Confident	26 Å²	26	41.5 Å²	41.5	18%	0.176	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.1	-172.4	-54.4	0	0	0	0	114.2	F216 C297 K312	F216-C314 HydrophobicContact CB-CB 4.12Å; F216-C314 WeakPolarHBondContact CB-O 3.46Å; F216-C314 PolarHBondContact N-O 2.85Å; F216-C314 VanDerWaalsContact N-O 3.15Å; C297-C314 HydrophobicContact CB-CB 3.94Å; C297-C314 WeakPolarHBondContact CB-SG 3.28Å; C297-C314 PolarHBondContact N-SG 2.95Å; C297-C314 WeakPolarHBondContact SG-CB 3.38Å; C297-C314 CovalentContact SG-SG 2.03Å; C297-C314 PolarHBondContact SG-SG 2.88Å; K312-C314 PolarHBondContact O-N 2.92Å
315	K	89.2	Confident	89.7	Confident	140 Å²	140	40.1 Å²	40.1	61%	0.609	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.5	-38.4	-168.6	-67.6	-176.4	172.6	-176.1	0	113.1	T215 E217 D313	T215-K315 WeakPolarHBondContact CG2-O 3.04Å; E217-K315 WeakPolarHBondContact OE1-CE 2.8Å; E217-K315 IonicContact OE1-NZ 3.91Å; D313-K315 PolarHBondContact O-N 3.16Å; D313-K315 PolarHBondContact OD1-N 2.91Å
316	S	89.6	Confident	89.4	Confident	93 Å²	93	42.5 Å²	42.5	65%	0.65	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-32.2	-175.1	58.4	0	0	0	0	112.9	D313	D313-S316 VanDerWaalsContact CB-OG 3.3Å; D313-S316 WeakPolarHBondContact CB-OG 3.41Å; D313-S316 VanDerWaalsContact CG-OG 3.22Å; D313-S316 WeakPolarHBondContact OD1-CB 3.38Å; D313-S316 PolarHBondContact OD1-N 3.29Å; D313-S316 PolarHBondContact OD1-OG 2.96Å
317	H	91.8	Very high	88	Confident	50 Å²	50	45.3 Å²	45.3	23%	0.231	24%	0.242	C	C	.	.			trans	-79.6	140.2	-179.3	-165.3	64.5	0	0	0	111	N255 W257 K312 D313	N255-H317 PolarHBondContact ND2-NE2 3.31Å; W257-H317 HydrophobicContact CH2-CB 4.3Å; W257-H317 HydrophobicContact CZ2-CB 4.16Å; W257-H317 AromaticContact CZ2-CD2 3.96Å; K312-H317 HydrophobicContact CB-CB 4.02Å; D313-H317 VanDerWaalsContact O-CB 3.26Å; D313-H317 WeakPolarHBondContact O-CB 3.44Å; D313-H317 PolarHBondContact O-N 2.04Å
318	K	92.1	Very high	86.2	Confident	125 Å²	125	48.9 Å²	48.9	54%	0.543	28%	0.279	S	S	.	.			trans	-116	136.8	173.3	-65.8	-171.6	178.8	-173.4	0	109.6	E213 Q214 T215	E213-K318 HydrophobicContact CB-CB 4.14Å; Q214-K318 WeakPolarHBondContact O-CA 3.48Å; T215-K318 HydrophobicContact CG2-CG 4.45Å
319	A	92.1	Very high	84	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-150.9	160.4	-179	0	0	0	0	0	109.8	E213 Q214 N255 W257 V299	E213-A319 WeakPolarHBondContact CA-O 3.29Å; Q214-A319 PolarHBondContact N-O 3.38Å; Q214-A319 PolarHBondContact O-N 3.33Å; N255-A319 HydrophobicContact CB-CB 3.75Å; N255-A319 WeakPolarHBondContact O-CB 3.37Å; W257-A319 HydrophobicContact CD2-CB 4.25Å; W257-A319 HydrophobicContact CG-CB 4.15Å; W257-A319 HydrophobicContact CZ2-CB 4.49Å; V299-A319 HydrophobicContact CG1-CB 4.17Å
320	L	93.2	Very high	81.7	Confident	21 Å²	21	60 Å²	60	11%	0.11	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	174.6	167.5	-61.9	176.9	0	0	0	109	H212 E213 N255 Y256 W257	H212-L320 VanDerWaalsContact C-CD2 3.43Å; E213-L320 HydrophobicContact CG-CD2 3.92Å; E213-L320 HydrophobicContact CG-CG 4.25Å; N255-L320 PolarHBondContact O-N 3.41Å; Y256-L320 CarbonylContact C-O 3.51Å; Y256-L320 VanDerWaalsContact CA-O 3.31Å; Y256-L320 WeakPolarHBondContact CA-O 3.41Å; Y256-L320 HydrophobicContact CD1-CB 3.62Å; Y256-L320 HydrophobicContact CD1-CD1 4.21Å; Y256-L320 HydrophobicContact CE1-CB 3.9Å; Y256-L320 HydrophobicContact CE1-CD1 3.57Å; Y256-L320 HydrophobicContact CE1-CG 4.33Å; W257-L320 PolarHBondContact N-O 3.42Å
321	S	92.8	Very high	79.4	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.1	-179.9	-52.5	0	0	0	0	110.4	V209 T210 Q214 A219	V209-S321 WeakPolarHBondContact CA-O 3.34Å; T210-S321 PolarHBondContact N-O 2.67Å; T210-S321 PolarHBondContact OG1-N 2.88Å; Q214-S321 PolarHBondContact NE2-OG 3.24Å; A219-S321 WeakPolarHBondContact CB-OG 3.46Å
322	V	92.8	Very high	77	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.5	170.6	-168	0	0	0	0	108.4	T208 L230 L245 Y256 W257 M300	T208-V322 WeakPolarHBondContact O-CA 3.45Å; L230-V322 HydrophobicContact CB-CB 3.92Å; L230-V322 HydrophobicContact CB-CG1 4.05Å; L230-V322 WeakPolarHBondContact CB-O 3.36Å; L230-V322 HydrophobicContact CD2-CB 3.88Å; L230-V322 HydrophobicContact CD2-CG1 3.64Å; L230-V322 HydrophobicContact CG-CG1 4.35Å; L230-V322 PolarHBondContact N-O 3.22Å; L245-V322 HydrophobicContact CD2-CG2 4.14Å; Y256-V322 HydrophobicContact CD1-CG2 4.43Å; Y256-V322 HydrophobicContact CG-CG2 4.36Å; W257-V322 PolarHBondContact O-N 2.81Å; M300-V322 HydrophobicContact CE-CB 4.4Å; M300-V322 HydrophobicContact CE-CG2 3.83Å
323	C	90.8	Very high	74.9	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149	-179.8	-53.8	0	0	0	0	112.1	W199 Y207 T208 C225 A227 S228	W199-C323 HydrophobicContact CH2-CB 3.8Å; W199-C323 HydrophobicContact CZ3-CB 4.22Å; Y207-C323 VanDerWaalsContact CA-O 3.28Å; Y207-C323 WeakPolarHBondContact CA-O 3.2Å; T208-C323 HydrophobicContact CG2-CB 4.2Å; T208-C323 PolarHBondContact N-O 2.89Å; T208-C323 VanDerWaalsContact N-O 3.16Å; T208-C323 PolarHBondContact O-N 3.28Å; C225-C323 HydrophobicContact CB-CB 4.26Å; C225-C323 WeakPolarHBondContact CB-SG 3.35Å; C225-C323 WeakPolarHBondContact SG-CB 3.27Å; C225-C323 CovalentContact SG-SG 1.99Å; C225-C323 PolarHBondContact SG-SG 3.46Å; A227-C323 HydrophobicContact CB-CB 4.25Å; S228-C323 WeakPolarHBondContact O-CA 3.33Å
324	K	89.9	Confident	72.8	Confident	14 Å²	14	65.5 Å²	65.5	6%	0.061	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.2	177.1	179.5	176	174.5	173.7	0	109.5	C206 Y207 S228 L230 T231 E233 E237	C206-K324 WeakPolarHBondContact O-CA 3.47Å; Y207-K324 HydrophobicContact CD1-CB 4.31Å; Y207-K324 HydrophobicContact CD1-CG 4.41Å; Y207-K324 HydrophobicContact CE1-CB 4.19Å; Y207-K324 HydrophobicContact CE1-CD 3.92Å; Y207-K324 HydrophobicContact CE1-CG 3.9Å; S228-K324 PolarHBondContact O-N 3.12Å; L230-K324 HydrophobicContact CD1-CB 4.08Å; L230-K324 HydrophobicContact CD1-CD 4.14Å; T231-K324 PolarHBondContact O-NZ 2.93Å; E233-K324 IonicContact OE1-NZ 2.74Å; E233-K324 PolarHBondContact OE1-NZ 3.38Å; E237-K324 WeakPolarHBondContact OE1-CD 3.37Å; E237-K324 WeakPolarHBondContact OE1-CE 3.23Å; E237-K324 IonicContact OE1-NZ 2.76Å; E237-K324 PolarHBondContact OE1-NZ 3.24Å; E237-K324 IonicContact OE2-NZ 2.68Å; E237-K324 PolarHBondContact OE2-NZ 3.03Å
325	M	85.9	Confident	70.6	Confident	99 Å²	99	69.3 Å²	69.3	49%	0.488	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	109.6	172	-174.6	173.6	179.7	0	0	108.9	W199 S205 C206 A227	W199-M325 HydrophobicContact CH2-CB 4.47Å; W199-M325 HydrophobicContact CZ3-CB 3.99Å; S205-M325 WeakPolarHBondContact CA-O 3.46Å; C206-M325 HydrophobicContact CB-CB 4.42Å; C206-M325 PolarHBondContact N-O 2.82Å; C206-M325 PolarHBondContact O-N 3.4Å; A227-M325 HydrophobicContact CB-CB 4.13Å
326	S	74.4	Confident	68.8	Low	73 Å²	73	69.9 Å²	69.9	51%	0.51	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134.8	176.4	56.6	0	0	0	0	110.7	G328	S326-G328 PolarHBondContact O-N 3.3Å
327	S	57.3	Low	67.2	Low	81 Å²	81	73 Å²	73	57%	0.566	43%	0.43	S	S	*	.			trans	-79.8	53.2	178.1	-60.4	0	0	0	0	113.2	H204 H329	H204-S327 PolarHBondContact O-N 2.86Å; S327-H329 PolarHBondContact O-N 2.89Å; S327-H329 PolarHBondContact O-ND1 2.74Å
328	G	48	Very low	65.8	Low	76 Å²	76	78.7 Å²	78.7	78%	0.784	46%	0.456	S	S	*	.	S	Bend	trans	58	-6.3	168.7	0	0	0	0	0	118.5	S326	S326-G328 PolarHBondContact O-N 3.3Å
329	H	43.6	Very low	64.6	Low	151 Å²	151	74.7 Å²	74.7	70%	0.699	44%	0.44	S	S	*	.	S	Bend	trans	-97.9	117.1	169.8	-72.2	66	0	0	0	106.3	S327 D331	S327-H329 PolarHBondContact O-N 2.89Å; S327-H329 PolarHBondContact O-ND1 2.74Å; H329-D331 PolarHBondContact O-N 3.36Å; H329-D331 VanDerWaalsContact O-N 3.16Å
330	S	42.6	Very low	63.5	Low	117 Å²	117	78.3 Å²	78.3	82%	0.818	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-55.8	116.1	162.3	-39.9	0	0	0	0	106.3	A332	S330-A332 PolarHBondContact O-N 3.27Å
331	D	41.8	Very low	62.3	Low	87 Å²	87	78.8 Å²	78.8	47%	0.465	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-51.6	133.3	159.3	-104	-40.5	0	0	0	105.8	H204 H329 G333	H204-D331 IonicContact CD2-OD1 3.91Å; H204-D331 PolarHBondContact CD2-OD1 2.96Å; H204-D331 VanDerWaalsContact CD2-OD1 3.28Å; H204-D331 IonicContact CD2-OD2 2.75Å; H329-D331 PolarHBondContact O-N 3.36Å; H329-D331 VanDerWaalsContact O-N 3.16Å; D331-G333 VanDerWaalsContact C-N 3.28Å; D331-G333 PolarHBondContact O-N 3.26Å
332	A	40.4	Very low	61.4	Low	91 Å²	91	88.9 Å²	88.9	75%	0.752	51%	0.506	S	S	*	.			trans	-58.5	100	179.4	0	0	0	0	0	106.8	S330 L334	S330-A332 PolarHBondContact O-N 3.27Å; A332-L334 PolarHBondContact O-N 3.38Å
333	G	45.3	Very low	60.9	Low	61 Å²	61	89.4 Å²	89.4	63%	0.629	51%	0.511	S	S	*	.			trans	-51.5	142.9	175.8	0	0	0	0	0	108.1	D331	D331-G333 VanDerWaalsContact C-N 3.28Å; D331-G333 PolarHBondContact O-N 3.26Å
334	L	46.1	Very low	60.4	Low	70 Å²	70	94.8 Å²	94.8	37%	0.366	55%	0.546	S	S	.	.			trans	-45.6	130.7	170.1	-70.2	166.7	0	0	0	107.5	L100 A332 E336	L100-L334 HydrophobicContact CB-CD2 4.19Å; A332-L334 PolarHBondContact O-N 3.38Å; L334-E336 PolarHBondContact O-N 3Å
335	P	42.9	Very low	60.2	Low	107 Å²	107	95.7 Å²	95.7	70%	0.695	55%	0.553	S	S	*	*			trans	-58.5	106	-171.1	19.4	-30.1	0	0	0	109.8	R337	P335-R337 PolarHBondContact O-N 3.17Å
336	E	51.6	Low	60.2	Low	152 Å²	152	92 Å²	92	71%	0.71	54%	0.536	S	S	*	.			trans	-66	126.8	172.1	-78.3	-176.3	172.7	0	0	108.2	L334 H338	L334-E336 PolarHBondContact O-N 3Å; E336-H338 PolarHBondContact O-N 3.38Å
337	R	56.9	Low	60.4	Low	157 Å²	157	91.6 Å²	91.6	59%	0.592	53%	0.532	S	S	*	.			trans	-58.7	114.9	176.9	-174	178.3	178	-155.5	0.9	108.9	P335 I339 D484	P335-R337 PolarHBondContact O-N 3.17Å; R337-I339 PolarHBondContact O-N 2.68Å; R337-I339 VanDerWaalsContact O-N 3.1Å; R337-D484 IonicContact CZ-OD1 2.8Å; R337-D484 IonicContact CZ-OD2 2.82Å; R337-D484 VanDerWaalsContact CZ-OD2 3.26Å; R337-D484 IonicContact NH1-OD1 3.74Å; R337-D484 IonicContact NH1-OD2 3.78Å; R337-D484 PolarHBondContact NH1-OD2 2.75Å; R337-D484 IonicContact NH2-OD1 2.9Å; R337-D484 PolarHBondContact NH2-OD1 2.88Å; R337-D484 IonicContact NH2-OD2 3.79Å; R337-D484 PolarHBondContact NH2-OD2 3.41Å
338	H	60.9	Low	61.4	Low	170 Å²	170	89 Å²	89	79%	0.787	52%	0.519	S	S	*	.			trans	-65.9	111.8	177.9	177.7	-73.1	0	0	0	110.4	E336	E336-H338 PolarHBondContact O-N 3.38Å
339	I	67.3	Low	63.3	Low	41 Å²	41	85.9 Å²	85.9	21%	0.21	48%	0.484	C	S	.	.			trans	-87.6	125.6	175.4	-55.5	175.4	0	0	0	109.2	R337 A341 L356 R482	R337-I339 PolarHBondContact O-N 2.68Å; R337-I339 VanDerWaalsContact O-N 3.1Å; I339-A341 PolarHBondContact O-N 2.04Å; I339-A341 VanDerWaalsContact O-N 3.13Å; I339-L356 HydrophobicContact CB-CB 4.5Å; I339-L356 HydrophobicContact CD1-CB 4.29Å; I339-L356 HydrophobicContact CG2-CB 4.05Å; I339-L356 HydrophobicContact CG2-CD2 4.43Å; I339-L356 WeakPolarHBondContact CG2-O 3.23Å; I339-R482 HydrophobicContact CG2-CB 4.19Å; I339-R482 WeakPolarHBondContact CG2-O 3.46Å
340	D	68.9	Low	65.4	Low	77 Å²	77	80.6 Å²	80.6	41%	0.412	46%	0.459	S	S	.	.			trans	-76.8	99.8	175.4	-177	-1.2	0	0	0	110.7	Y342 A343 R482	D340-Y342 PolarHBondContact O-N 2.92Å; D340-Y342 VanDerWaalsContact O-N 3.09Å; D340-Y342 PolarHBondContact OD1-N 3.25Å; D340-A343 HydrophobicContact CB-CB 4.05Å; D340-A343 WeakPolarHBondContact O-CB 3.46Å; D340-A343 PolarHBondContact O-N 3.05Å; D340-A343 VanDerWaalsContact O-N 3.15Å; D340-A343 PolarHBondContact OD1-N 2.94Å; D340-R482 WeakPolarHBondContact O-CB 3.36Å
341	A	69	Low	67.6	Low	31 Å²	31	76.4 Å²	76.4	26%	0.256	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-15.2	178.5	0	0	0	0	0	114.4	I339 L356 R482	I339-A341 PolarHBondContact O-N 2.04Å; I339-A341 VanDerWaalsContact O-N 3.13Å; A341-L356 HydrophobicContact CB-CD2 3.64Å; A341-R482 PolarHBondContact O-NH1 2.83Å
342	Y	73.9	Confident	69.5	Low	211 Å²	211	75.6 Å²	75.6	83%	0.827	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-7.7	-180	-60.1	-77.1	0	0	0	113.3	D340	D340-Y342 PolarHBondContact O-N 2.92Å; D340-Y342 VanDerWaalsContact O-N 3.09Å; D340-Y342 PolarHBondContact OD1-N 3.25Å
343	A	80.3	Confident	71.1	Confident	12 Å²	12	76.7 Å²	76.7	10%	0.099	43%	0.425	C	S	.	.	S	Bend	trans	-63.4	138.3	177.5	0	0	0	0	0	111.6	D340 R482	D340-A343 HydrophobicContact CB-CB 4.05Å; D340-A343 WeakPolarHBondContact O-CB 3.46Å; D340-A343 PolarHBondContact O-N 3.05Å; D340-A343 VanDerWaalsContact O-N 3.15Å; D340-A343 PolarHBondContact OD1-N 2.94Å; A343-R482 HydrophobicContact CB-CB 4.42Å; A343-R482 VanDerWaalsContact O-CZ 3.23Å; A343-R482 PolarHBondContact O-NE 3.44Å; A343-R482 PolarHBondContact O-NH2 2.7Å
344	P	81.5	Confident	72.4	Confident	113 Å²	113	76.9 Å²	76.9	73%	0.734	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-70.8	147.2	177.4	29.3	-33.9	0	0	0	111.3
345	C	85.7	Confident	74.2	Confident	32 Å²	32	74 Å²	74	22%	0.216	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-72.3	151.7	172.7	-68.8	0	0	0	0	111.5	W349 S351 C358	C345-W349 HydrophobicContact CB-CB 4.13Å; C345-S351 WeakPolarHBondContact SG-CB 3.42Å; C345-C358 WeakPolarHBondContact CA-SG 3.47Å; C345-C358 HydrophobicContact CB-CB 3.82Å; C345-C358 WeakPolarHBondContact CB-SG 3.36Å; C345-C358 WeakPolarHBondContact SG-CB 3.29Å; C345-C358 CovalentContact SG-SG 2.03Å; C345-C358 PolarHBondContact SG-SG 2.96Å
346	P	85.8	Confident	76.2	Confident	21 Å²	21	71.8 Å²	71.8	14%	0.136	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-58.7	156.3	171.8	-21.3	32.3	0	0	0	112.2	G348 W349 L480 L486	P346-G348 PolarHBondContact O-N 3.03Å; P346-W349 HydrophobicContact CB-CG 4.31Å; P346-W349 WeakPolarHBondContact O-CB 3.11Å; P346-W349 PolarHBondContact O-N 3.09Å; P346-L480 HydrophobicContact CG-CD2 3.7Å; P346-L486 HydrophobicContact CB-CB 4.46Å; P346-L486 HydrophobicContact CG-CB 4.36Å
347	P	78.5	Confident	78.1	Confident	65 Å²	65	64.9 Å²	64.9	42%	0.422	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	128.2	180	-27.1	35.3	0	0	0	113.5	W349 A498	P347-W349 VanDerWaalsContact C-N 3.26Å; P347-W349 PolarHBondContact O-N 2.71Å; P347-A498 HydrophobicContact CB-CB 4.5Å
348	G	79.1	Confident	79.7	Confident	28 Å²	28	57.4 Å²	57.4	29%	0.289	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	14.8	-179.4	0	0	0	0	0	114.9	P346 K360	P346-G348 PolarHBondContact O-N 3.03Å; G348-K360 PolarHBondContact O-NZ 3.47Å
349	W	87.8	Confident	81.3	Confident	10 Å²	10	49.3 Å²	49.3	4%	0.038	30%	0.296	C	S	.	.			trans	-105	141	162.5	-68.1	71.5	0	0	0	109.1	C345 P346 P347 C358 K360 A385 C478 L480 L486	C345-W349 HydrophobicContact CB-CB 4.13Å; P346-W349 HydrophobicContact CB-CG 4.31Å; P346-W349 WeakPolarHBondContact O-CB 3.11Å; P346-W349 PolarHBondContact O-N 3.09Å; P347-W349 VanDerWaalsContact C-N 3.26Å; P347-W349 PolarHBondContact O-N 2.71Å; W349-C358 HydrophobicContact CB-CB 4.03Å; W349-C358 HydrophobicContact CE3-CB 4.11Å; W349-K360 HydrophobicContact CD2-CB 3.56Å; W349-K360 HydrophobicContact CD2-CD 4.1Å; W349-K360 HydrophobicContact CD2-CG 4.43Å; W349-K360 HydrophobicContact CE3-CB 3.55Å; W349-K360 HydrophobicContact CG-CB 4.11Å; W349-K360 HydrophobicContact CG-CD 4.28Å; W349-K360 HydrophobicContact CH2-CB 4.03Å; W349-K360 HydrophobicContact CZ2-CB 4.05Å; W349-K360 HydrophobicContact CZ2-CD 4.03Å; W349-K360 HydrophobicContact CZ3-CB 3.79Å; W349-A385 HydrophobicContact CH2-CB 3.59Å; W349-A385 HydrophobicContact CZ2-CB 4.35Å; W349-A385 HydrophobicContact CZ3-CB 4.38Å; W349-C478 HydrophobicContact CH2-CB 3.61Å; W349-C478 HydrophobicContact CZ3-CB 4.05Å; W349-L480 HydrophobicContact CE3-CB 3.94Å; W349-L480 HydrophobicContact CH2-CB 4.02Å; W349-L480 HydrophobicContact CZ3-CB 3.59Å; W349-L486 HydrophobicContact CH2-CD1 4.48Å; W349-L486 HydrophobicContact CZ2-CD1 3.5Å
350	E	87.2	Confident	82.5	Confident	40 Å²	40	48.6 Å²	48.6	19%	0.187	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-116.9	142.8	-169.9	-61	-72.8	-179	0	0	110.9	F359 F398 L402 R545	E350-F359 PolarHBondContact N-O 2.76Å; E350-F359 PolarHBondContact O-N 2.62Å; E350-F398 HydrophobicContact CB-CZ 3.97Å; E350-L402 HydrophobicContact CB-CD1 4.16Å; E350-L402 HydrophobicContact CB-CD2 4.15Å; E350-L402 HydrophobicContact CG-CD1 4.03Å; E350-R545 VanDerWaalsContact CD-NH1 3.29Å; E350-R545 IonicContact OE1-CZ 2.67Å; E350-R545 VanDerWaalsContact OE1-CZ 3.28Å; E350-R545 IonicContact OE1-NH1 3.43Å; E350-R545 PolarHBondContact OE1-NH1 2.99Å; E350-R545 IonicContact OE1-NH2 3.51Å; E350-R545 PolarHBondContact OE1-NH2 3.43Å; E350-R545 IonicContact OE2-CZ 2.77Å; E350-R545 IonicContact OE2-NH1 3.67Å; E350-R545 PolarHBondContact OE2-NH1 3.33Å; E350-R545 IonicContact OE2-NH2 2.86Å; E350-R545 PolarHBondContact OE2-NH2 2.93Å
351	S	88.8	Confident	83.6	Confident	28 Å²	28	45.4 Å²	45.4	20%	0.196	28%	0.275	C	S	.	.			trans	-156.6	158.5	174.4	-180	0	0	0	0	109.3	C345 H357 F398	C345-S351 WeakPolarHBondContact SG-CB 3.42Å; S351-H357 PolarHBondContact OG-O 2.75Å; S351-H357 VanDerWaalsContact OG-O 3.13Å; S351-F398 VanDerWaalsContact CA-CZ 3.44Å
352	H	81.7	Confident	84.7	Confident	70 Å²	70	44 Å²	44	32%	0.324	26%	0.263	S	S	.	.			trans	-103.1	168	167.9	74.5	84.5	0	0	0	112.7	G354 L355 F398	H352-G354 PolarHBondContact O-N 3.2Å; H352-L355 WeakPolarHBondContact CD2-CD1 3.32Å; H352-L355 VanDerWaalsContact CD2-CG 3.44Å; H352-L355 WeakPolarHBondContact CD2-CG 3.43Å; H352-L355 VanDerWaalsContact NE2-CD1 3.31Å; H352-L355 WeakPolarHBondContact NE2-CD1 3.35Å; H352-L355 WeakPolarHBondContact NE2-CD2 3.49Å; H352-L355 WeakPolarHBondContact NE2-CG 3.28Å; H352-L355 PolarHBondContact O-N 3.06Å; H352-F398 HydrophobicContact CB-CD2 4.15Å; H352-F398 HydrophobicContact CB-CE2 4.22Å; H352-F398 AromaticContact CD2-CD2 3.48Å; H352-F398 VanDerWaalsContact CD2-CD2 3.48Å; H352-F398 WeakPolarHBondContact CD2-CD2 3.22Å; H352-F398 AromaticContact CD2-CG 3.67Å
353	S	73.3	Confident	85.4	Confident	115 Å²	115	34 Å²	34	80%	0.804	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	123.1	174.6	54.5	0	0	0	0	110.4
354	G	73.3	Confident	85.7	Confident	65 Å²	65	36.4 Å²	36.4	67%	0.67	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	104.6	-14.1	179.9	0	0	0	0	0	114.9	H352	H352-G354 PolarHBondContact O-N 3.2Å
355	L	83.4	Confident	85.8	Confident	9 Å²	9	34 Å²	34	5%	0.047	21%	0.214	C	C	.	.			trans	-83.9	146.1	170.5	-64.5	-176.2	0	0	0	111.9	H352 F359 E394 E395 F398 R482	H352-L355 WeakPolarHBondContact CD2-CD1 3.32Å; H352-L355 VanDerWaalsContact CD2-CG 3.44Å; H352-L355 WeakPolarHBondContact CD2-CG 3.43Å; H352-L355 VanDerWaalsContact NE2-CD1 3.31Å; H352-L355 WeakPolarHBondContact NE2-CD1 3.35Å; H352-L355 WeakPolarHBondContact NE2-CD2 3.49Å; H352-L355 WeakPolarHBondContact NE2-CG 3.28Å; H352-L355 PolarHBondContact O-N 3.06Å; L355-F359 HydrophobicContact CD1-CE2 4.28Å; L355-E394 HydrophobicContact CD2-CB 4.26Å; L355-E395 HydrophobicContact CD2-CG 3.92Å; L355-F398 HydrophobicContact CD1-CB 3.91Å; L355-F398 HydrophobicContact CD1-CD1 3.87Å; L355-F398 HydrophobicContact CD1-CG 3.85Å; L355-R482 WeakPolarHBondContact O-CD 3.48Å; L355-R482 PolarHBondContact O-NH1 3.11Å
356	L	86.2	Confident	85.6	Confident	61 Å²	61	33.6 Å²	33.6	32%	0.319	21%	0.209	S	C	.	.	S	Bend	trans	-88.2	-9.8	176.7	-59.4	-178.6	0	0	0	113	I339 A341 R482	I339-L356 HydrophobicContact CB-CB 4.5Å; I339-L356 HydrophobicContact CD1-CB 4.29Å; I339-L356 HydrophobicContact CG2-CB 4.05Å; I339-L356 HydrophobicContact CG2-CD2 4.43Å; I339-L356 WeakPolarHBondContact CG2-O 3.23Å; A341-L356 HydrophobicContact CB-CD2 3.64Å; L356-R482 WeakPolarHBondContact O-CB 3.24Å; L356-R482 VanDerWaalsContact O-CG 3.26Å; L356-R482 WeakPolarHBondContact O-CG 3.4Å; L356-R482 PolarHBondContact O-N 3.06Å
357	H	90.6	Very high	85.4	Confident	7 Å²	7	33 Å²	33	3%	0.032	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.1	-172.3	-54.5	101.2	0	0	0	112.3	S351 F359 Q391 E395 K479 L480	S351-H357 PolarHBondContact OG-O 2.75Å; S351-H357 VanDerWaalsContact OG-O 3.13Å; H357-F359 HydrophobicContact CB-CE2 4.08Å; H357-F359 HydrophobicContact CB-CZ 4.2Å; H357-Q391 PolarHBondContact CE1-OE1 2.9Å; H357-E395 IonicContact CE1-OE1 2.74Å; H357-E395 IonicContact CG-OE1 3.69Å; H357-E395 IonicContact ND1-OE1 2.62Å; H357-E395 PolarHBondContact ND1-OE1 2.85Å; H357-K479 HydrophobicContact CB-CD 4.34Å; H357-K479 HydrophobicContact CB-CG 3.91Å; H357-K479 WeakPolarHBondContact CD2-CE 3.22Å; H357-K479 WeakPolarHBondContact ND1-CE 3.26Å; H357-L480 CarbonylContact C-O 3.57Å; H357-L480 WeakPolarHBondContact CA-O 3.46Å
358	C	91.7	Very high	85.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	139.7	171.9	-53.9	0	0	0	0	109.8	C345 W349 K479 L480 R482	C345-C358 WeakPolarHBondContact CA-SG 3.47Å; C345-C358 HydrophobicContact CB-CB 3.82Å; C345-C358 WeakPolarHBondContact CB-SG 3.36Å; C345-C358 WeakPolarHBondContact SG-CB 3.29Å; C345-C358 CovalentContact SG-SG 2.03Å; C345-C358 PolarHBondContact SG-SG 2.96Å; W349-C358 HydrophobicContact CB-CB 4.03Å; W349-C358 HydrophobicContact CE3-CB 4.11Å; C358-K479 CarbonylContact O-C 3.51Å; C358-K479 WeakPolarHBondContact O-CA 3.48Å; C358-L480 PolarHBondContact N-O 3.03Å; C358-L480 PolarHBondContact O-N 3.28Å; C358-R482 VanDerWaalsContact SG-CG 3.51Å
359	F	93.4	Very high	85.5	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146.7	179.8	-62.4	-91.6	0	0	0	111.1	E350 L355 H357 A388 F390 E395 F398 V399 I477 C478 K479	E350-F359 PolarHBondContact N-O 2.76Å; E350-F359 PolarHBondContact O-N 2.62Å; L355-F359 HydrophobicContact CD1-CE2 4.28Å; H357-F359 HydrophobicContact CB-CE2 4.08Å; H357-F359 HydrophobicContact CB-CZ 4.2Å; F359-A388 HydrophobicContact CD1-CB 4.24Å; F359-A388 HydrophobicContact CE1-CB 4.28Å; F359-F390 HydrophobicContact CE1-CE1 4.43Å; F359-E395 HydrophobicContact CZ-CB 4.04Å; F359-E395 HydrophobicContact CZ-CG 4.25Å; F359-F398 HydrophobicContact CB-CE1 4.28Å; F359-F398 AromaticContact CD2-CD1 3.76Å; F359-F398 HydrophobicContact CD2-CD1 3.76Å; F359-F398 AromaticContact CD2-CE1 3.74Å; F359-F398 HydrophobicContact CD2-CE1 3.74Å; F359-F398 HydrophobicContact CE2-CD1 4.22Å; F359-F398 HydrophobicContact CG-CE1 4.37Å; F359-V399 HydrophobicContact CB-CG2 4.41Å; F359-V399 HydrophobicContact CD1-CG2 3.8Å; F359-V399 HydrophobicContact CD2-CG2 4.38Å; F359-V399 HydrophobicContact CE1-CG2 4.12Å; F359-V399 HydrophobicContact CG-CG2 3.94Å; F359-I477 HydrophobicContact CD1-CG2 4.42Å; F359-C478 WeakPolarHBondContact CA-O 3.04Å; F359-K479 HydrophobicContact CD1-CB 4.1Å; F359-K479 HydrophobicContact CD1-CG 4.39Å; F359-K479 HydrophobicContact CE1-CB 3.97Å; F359-K479 HydrophobicContact CE1-CD 3.98Å; F359-K479 HydrophobicContact CE1-CG 3.89Å; F359-K479 HydrophobicContact CZ-CD 4.24Å; F359-K479 HydrophobicContact CZ-CG 4.25Å
360	K	92.2	Very high	85.5	Confident	25 Å²	25	40.9 Å²	40.9	11%	0.109	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	126.6	173.3	-174.4	174.7	-174	95.4	0	110.6	G348 W349 F362 I477 C478 Y492	G348-K360 PolarHBondContact O-NZ 3.47Å; W349-K360 HydrophobicContact CD2-CB 3.56Å; W349-K360 HydrophobicContact CD2-CD 4.1Å; W349-K360 HydrophobicContact CD2-CG 4.43Å; W349-K360 HydrophobicContact CE3-CB 3.55Å; W349-K360 HydrophobicContact CG-CB 4.11Å; W349-K360 HydrophobicContact CG-CD 4.28Å; W349-K360 HydrophobicContact CH2-CB 4.03Å; W349-K360 HydrophobicContact CZ2-CB 4.05Å; W349-K360 HydrophobicContact CZ2-CD 4.03Å; W349-K360 HydrophobicContact CZ3-CB 3.79Å; K360-F362 HydrophobicContact CB-CE2 4.13Å; K360-F362 HydrophobicContact CD-CE1 4.19Å; K360-F362 HydrophobicContact CD-CE2 3.81Å; K360-F362 HydrophobicContact CD-CZ 3.49Å; K360-F362 VanDerWaalsContact CD-CZ 3.49Å; K360-F362 HydrophobicContact CG-CD2 4.38Å; K360-F362 HydrophobicContact CG-CE2 3.82Å; K360-F362 HydrophobicContact CG-CZ 3.99Å; K360-I477 WeakPolarHBondContact O-CA 3.27Å; K360-C478 PolarHBondContact N-O 3.19Å; K360-C478 PolarHBondContact O-N 2.94Å; K360-Y492 WeakPolarHBondContact CE-OH 3.31Å
361	V	92.7	Very high	85.3	Confident	11 Å²	11	40.3 Å²	40.3	7%	0.067	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.7	178.4	-174.6	0	0	0	0	109	H363 L402 L403 M406 F407 F415 I477	V361-H363 HydrophobicContact CG1-CB 4.48Å; V361-L402 HydrophobicContact CG2-CD2 3.92Å; V361-L402 HydrophobicContact CG2-CG 4.38Å; V361-L403 HydrophobicContact CB-CD2 4.46Å; V361-L403 HydrophobicContact CG1-CD2 3.81Å; V361-L403 HydrophobicContact CG2-CD2 3.8Å; V361-M406 HydrophobicContact CB-CE 4.19Å; V361-M406 HydrophobicContact CB-SD 4.05Å; V361-M406 HydrophobicContact CG2-SD 4.04Å; V361-F407 HydrophobicContact CG1-CE2 4.32Å; V361-F407 HydrophobicContact CG1-CZ 4.49Å; V361-F415 HydrophobicContact CG1-CD1 3.91Å; V361-F415 HydrophobicContact CG1-CE1 3.6Å; V361-F415 HydrophobicContact CG1-CZ 4.39Å; V361-I477 HydrophobicContact CG1-CG1 4.45Å; V361-I477 HydrophobicContact CG2-CG1 4.3Å; V361-I477 HydrophobicContact CG2-CG2 4.47Å
362	F	91.4	Very high	85.3	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	108.9	175	-71.5	-84.9	0	0	0	108.6	K360 V367 F379 L383 E475 W476 C478 Y492 V627	K360-F362 HydrophobicContact CB-CE2 4.13Å; K360-F362 HydrophobicContact CD-CE1 4.19Å; K360-F362 HydrophobicContact CD-CE2 3.81Å; K360-F362 HydrophobicContact CD-CZ 3.49Å; K360-F362 VanDerWaalsContact CD-CZ 3.49Å; K360-F362 HydrophobicContact CG-CD2 4.38Å; K360-F362 HydrophobicContact CG-CE2 3.82Å; K360-F362 HydrophobicContact CG-CZ 3.99Å; F362-V367 HydrophobicContact CB-CG1 3.86Å; F362-V367 HydrophobicContact CD1-CG1 3.87Å; F362-V367 HydrophobicContact CG-CG1 4.37Å; F362-F379 AromaticContact CD1-CE1 3.78Å; F362-F379 HydrophobicContact CD1-CE1 3.78Å; F362-F379 HydrophobicContact CD1-CZ 4.06Å; F362-F379 HydrophobicContact CD2-CE1 4.34Å; F362-F379 AromaticContact CE1-CE1 3.41Å; F362-F379 HydrophobicContact CE1-CE1 3.41Å; F362-F379 VanDerWaalsContact CE1-CE1 3.41Å; F362-F379 AromaticContact CE1-CZ 3.78Å; F362-F379 HydrophobicContact CE1-CZ 3.78Å; F362-F379 HydrophobicContact CE2-CE1 4.02Å; F362-F379 HydrophobicContact CG-CE1 4.23Å; F362-F379 HydrophobicContact CZ-CD1 4.46Å; F362-F379 AromaticContact CZ-CE1 3.54Å; F362-F379 HydrophobicContact CZ-CE1 3.54Å; F362-F379 HydrophobicContact CZ-CZ 4.33Å; F362-L383 HydrophobicContact CE2-CD1 4.34Å; F362-L383 HydrophobicContact CZ-CD1 3.73Å; F362-E475 WeakPolarHBondContact O-CB 3.45Å; F362-W476 HydrophobicContact CB-CD2 3.81Å; F362-W476 HydrophobicContact CB-CE3 4.49Å; F362-W476 HydrophobicContact CB-CG 4.09Å; F362-W476 HydrophobicContact CB-CH2 4.28Å; F362-W476 HydrophobicContact CB-CZ2 3.63Å; F362-W476 HydrophobicContact CD1-CZ2 4.27Å; F362-W476 AromaticContact CD2-CD1 3.77Å; F362-W476 AromaticContact CD2-NE1 3.43Å; F362-W476 AromaticContact CG-CE2 3.78Å; F362-W476 HydrophobicContact CG-CZ2 4.02Å; F362-W476 AromaticContact CG-NE1 3.45Å; F362-W476 PolarHBondContact N-O 2.84Å; F362-W476 PolarHBondContact O-N 2.99Å; F362-C478 HydrophobicContact CE2-CB 4.06Å; F362-C478 WeakPolarHBondContact CE2-SG 3.45Å; F362-Y492 HydrophobicContact CE1-CE2 4.34Å; F362-Y492 HydrophobicContact CZ-CE2 4.48Å; F362-V627 HydrophobicContact CD1-CG2 4.08Å; F362-V627 HydrophobicContact CE1-CG2 4.01Å
363	H	89.4	Confident	85.7	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.209	C	C	.	.			trans	-127	159.1	-169.9	60.9	90.4	0	0	0	110.8	V361 E365 K366 V367 F407 F415 E475 F501	V361-H363 HydrophobicContact CG1-CB 4.48Å; H363-E365 IonicContact CE1-OE2 2.97Å; H363-E365 IonicContact CG-OE2 2.86Å; H363-E365 IonicContact ND1-OE2 3.29Å; H363-E365 PolarHBondContact ND1-OE2 2.71Å; H363-E365 PolarHBondContact O-N 2.92Å; H363-K366 PolarHBondContact O-N 3.05Å; H363-V367 WeakPolarHBondContact O-CG2 3.34Å; H363-V367 PolarHBondContact O-N 3.36Å; H363-F407 HydrophobicContact CB-CE1 4.12Å; H363-F407 HydrophobicContact CB-CZ 3.61Å; H363-F407 AromaticContact CG-CZ 3.72Å; H363-F415 HydrophobicContact CB-CE1 4.48Å; H363-E475 VanDerWaalsContact CA-OE1 3.32Å; H363-E475 WeakPolarHBondContact CA-OE1 3.06Å; H363-E475 VanDerWaalsContact CB-OE1 3.28Å; H363-E475 WeakPolarHBondContact CB-OE1 3.08Å; H363-F501 AromaticContact CE1-CD1 3.77Å; H363-F501 AromaticContact CE1-CD2 3.93Å; H363-F501 AromaticContact CE1-CE1 3.79Å; H363-F501 AromaticContact CE1-CE2 3.94Å; H363-F501 AromaticContact CE1-CG 3.83Å; H363-F501 AromaticContact CE1-CZ 3.86Å; H363-F501 AromaticContact NE2-CD1 3.84Å; H363-F501 AromaticContact NE2-CG 3.91Å
364	D	85.8	Confident	86.2	Confident	62 Å²	62	32.4 Å²	32.4	33%	0.332	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-32.2	-167.9	-71.3	-17.3	0	0	0	114.6	K366 K370 E475	D364-K366 PolarHBondContact O-N 2.03Å; D364-K370 WeakPolarHBondContact OD1-CE 3.26Å; D364-K370 WeakPolarHBondContact OD1-CG 3.48Å; D364-K370 IonicContact OD1-NZ 2.72Å; D364-K370 WeakPolarHBondContact OD2-CE 3.43Å; D364-K370 IonicContact OD2-NZ 3.56Å; D364-K370 PolarHBondContact OD2-NZ 3.42Å; D364-E475 PolarHBondContact N-OE1 2.9Å
365	E	84.2	Confident	86.7	Confident	61 Å²	61	33.6 Å²	33.6	29%	0.285	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-20	179.5	-58	87.1	160.9	0	0	113	H363 R413 F501 V624	H363-E365 IonicContact CE1-OE2 2.97Å; H363-E365 IonicContact CG-OE2 2.86Å; H363-E365 IonicContact ND1-OE2 3.29Å; H363-E365 PolarHBondContact ND1-OE2 2.71Å; H363-E365 PolarHBondContact O-N 2.92Å; E365-R413 IonicContact OE1-CZ 2.73Å; E365-R413 IonicContact OE1-NH1 3.44Å; E365-R413 PolarHBondContact OE1-NH1 3.39Å; E365-R413 VanDerWaalsContact OE1-NH1 3.09Å; E365-R413 IonicContact OE1-NH2 3.29Å; E365-R413 PolarHBondContact OE1-NH2 2.8Å; E365-R413 IonicContact OE2-NH1 3.59Å; E365-R413 PolarHBondContact OE2-NH1 3Å; E365-F501 HydrophobicContact CB-CE2 4.26Å; E365-F501 HydrophobicContact CB-CZ 4.46Å; E365-F501 HydrophobicContact CG-CE2 4.5Å; E365-F501 HydrophobicContact CG-CZ 4.33Å; E365-V624 HydrophobicContact CB-CB 4.41Å; E365-V624 HydrophobicContact CB-CG1 4.19Å; E365-V624 HydrophobicContact CB-CG2 4.27Å; E365-V624 VanDerWaalsContact O-CG1 3.23Å; E365-V624 WeakPolarHBondContact O-CG1 3.43Å
366	K	80.7	Confident	87	Confident	25 Å²	25	33.2 Å²	33.2	11%	0.109	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-21.4	-178.4	-79.3	-164.1	175	-156.2	0	114.3	H363 D364 E506 V624 V626 V627	H363-K366 PolarHBondContact O-N 3.05Å; D364-K366 PolarHBondContact O-N 2.03Å; K366-E506 WeakPolarHBondContact CE-OE1 3.34Å; K366-E506 IonicContact NZ-OE1 2.84Å; K366-E506 PolarHBondContact NZ-OE1 2.01Å; K366-V624 HydrophobicContact CD-CG1 4.38Å; K366-V624 HydrophobicContact CG-CG1 3.51Å; K366-V626 CarbonylContact O-C 3.5Å; K366-V626 VanDerWaalsContact O-CA 3.27Å; K366-V626 WeakPolarHBondContact O-CA 3.46Å; K366-V626 WeakPolarHBondContact O-CG1 3.43Å; K366-V627 HydrophobicContact CB-CG1 4.21Å; K366-V627 HydrophobicContact CD-CG1 4.19Å; K366-V627 WeakPolarHBondContact O-CG2 3.39Å; K366-V627 PolarHBondContact O-N 3.36Å
367	V	82.5	Confident	87.1	Confident	7 Å²	7	30.4 Å²	30.4	4%	0.042	15%	0.149	C	C	.	.	S	Bend	trans	-104.3	158.6	180	-59.3	0	0	0	0	110.9	F362 H363 M369 W476 V627 E628	F362-V367 HydrophobicContact CB-CG1 3.86Å; F362-V367 HydrophobicContact CD1-CG1 3.87Å; F362-V367 HydrophobicContact CG-CG1 4.37Å; H363-V367 WeakPolarHBondContact O-CG2 3.34Å; H363-V367 PolarHBondContact O-N 3.36Å; V367-M369 VanDerWaalsContact C-N 3.33Å; V367-W476 HydrophobicContact CB-CH2 3.84Å; V367-W476 HydrophobicContact CB-CZ2 4.49Å; V367-W476 HydrophobicContact CG1-CH2 3.69Å; V367-W476 HydrophobicContact CG1-CZ2 3.89Å; V367-W476 HydrophobicContact CG2-CH2 3.83Å; V367-W476 HydrophobicContact CG2-CZ3 4.17Å; V367-V627 HydrophobicContact CG1-CG2 4.21Å; V367-E628 VanDerWaalsContact CB-OE1 3.28Å; V367-E628 WeakPolarHBondContact CB-OE1 3.49Å
368	L	77.8	Confident	86.8	Confident	83 Å²	83	36.5 Å²	36.5	44%	0.435	18%	0.176	S	C	.	.	S	Bend	trans	-71.6	-32.6	-180	-69.6	167.2	0	0	0	112.2	V626 E628 P630	L368-V626 HydrophobicContact CD2-CG1 3.76Å; L368-V626 HydrophobicContact CG-CG1 3.9Å; L368-E628 HydrophobicContact CD1-CB 3.68Å; L368-E628 HydrophobicContact CG-CB 3.94Å; L368-E628 PolarHBondContact N-OE1 2.8Å; L368-P630 HydrophobicContact CD2-CB 4.32Å; L368-P630 HydrophobicContact CD2-CG 4.11Å
369	M	81.3	Confident	86.6	Confident	107 Å²	107	36.9 Å²	36.9	53%	0.527	18%	0.177	S	C	.	.	S	Bend	trans	-161.4	154.8	-177.9	58	-175.9	169	0	0	111.3	V367	V367-M369 VanDerWaalsContact C-N 3.33Å
370	K	87.7	Confident	86.6	Confident	80 Å²	80	36.9 Å²	36.9	35%	0.348	18%	0.177	S	C	.	.			trans	-63.2	153.6	164.3	-66.5	-176.9	-176.2	175.5	0	111.1	D364 K473	D364-K370 WeakPolarHBondContact OD1-CE 3.26Å; D364-K370 WeakPolarHBondContact OD1-CG 3.48Å; D364-K370 IonicContact OD1-NZ 2.72Å; D364-K370 WeakPolarHBondContact OD2-CE 3.43Å; D364-K370 IonicContact OD2-NZ 3.56Å; D364-K370 PolarHBondContact OD2-NZ 3.42Å; K370-K473 HydrophobicContact CB-CB 3.64Å; K370-K473 WeakPolarHBondContact CD-O 3.47Å
371	R	84.4	Confident	86.4	Confident	28 Å²	28	38.5 Å²	38.5	11%	0.106	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-128.5	152.5	-174.6	-75.5	-179.3	170.6	103.7	5.3	111.5	E375 A376 F379 W416 K473 H474 W476 E628	R371-E375 HydrophobicContact CB-CB 3.79Å; R371-E375 HydrophobicContact CG-CB 4.06Å; R371-A376 HydrophobicContact CB-CB 4.38Å; R371-F379 VanDerWaalsContact NH1-CE2 3.26Å; R371-W416 PolarHBondContact O-NE1 2.91Å; R371-K473 WeakPolarHBondContact O-CA 2.99Å; R371-H474 PolarHBondContact N-O 3.42Å; R371-H474 PolarHBondContact O-N 3.24Å; R371-W476 HydrophobicContact CB-CE3 4.08Å; R371-W476 HydrophobicContact CB-CH2 4.46Å; R371-W476 HydrophobicContact CB-CZ3 3.86Å; R371-W476 HydrophobicContact CG-CH2 4.03Å; R371-W476 HydrophobicContact CG-CZ3 3.88Å; R371-E628 IonicContact CZ-OE1 3Å; R371-E628 IonicContact CZ-OE2 2.8Å; R371-E628 IonicContact NH1-OE1 3.65Å; R371-E628 PolarHBondContact NH1-OE1 3.36Å; R371-E628 IonicContact NH1-OE2 3.28Å; R371-E628 PolarHBondContact NH1-OE2 3.49Å; R371-E628 IonicContact NH2-OE1 2.71Å; R371-E628 IonicContact NH2-OE2 3.39Å; R371-E628 PolarHBondContact NH2-OE2 2.96Å
372	S	87.6	Confident	85.8	Confident	17 Å²	17	39.3 Å²	39.3	12%	0.119	19%	0.193	C	C	.	.			trans	-62.6	162.2	164.8	64.1	0	0	0	0	110.3	V374 E375 A376 C470 T472	S372-V374 PolarHBondContact O-N 3.48Å; S372-E375 PolarHBondContact N-OE2 3.22Å; S372-E375 PolarHBondContact O-N 3.09Å; S372-E375 WeakPolarHBondContact OG-CB 3.25Å; S372-E375 VanDerWaalsContact OG-CD 3.23Å; S372-E375 WeakPolarHBondContact OG-CG 3.48Å; S372-E375 PolarHBondContact OG-N 3.35Å; S372-E375 PolarHBondContact OG-OE2 3.19Å; S372-A376 WeakPolarHBondContact O-CB 3.49Å; S372-A376 PolarHBondContact O-N 3.05Å; S372-C470 WeakPolarHBondContact CB-O 3.43Å; S372-T472 WeakPolarHBondContact CA-O 3.42Å
373	W	90.9	Very high	85.6	Confident	6 Å²	6	39.2 Å²	39.2	2%	0.023	19%	0.193	C	C	.	.	H	α-helix	trans	-56.1	-39	179.5	-176.2	95	0	0	0	111.7	A376 D377 L387 W416 V417 N420 C455 C470	W373-A376 PolarHBondContact O-N 3.37Å; W373-D377 HydrophobicContact CE3-CB 4.3Å; W373-D377 HydrophobicContact CH2-CB 4.4Å; W373-D377 HydrophobicContact CZ3-CB 4.04Å; W373-D377 WeakPolarHBondContact O-CB 3.47Å; W373-D377 PolarHBondContact O-N 3.21Å; W373-L387 HydrophobicContact CD2-CD1 4.12Å; W373-L387 HydrophobicContact CG-CD1 4.47Å; W373-L387 HydrophobicContact CZ2-CD1 3.9Å; W373-W416 HydrophobicContact CB-CD2 3.91Å; W373-W416 HydrophobicContact CB-CE3 4.15Å; W373-W416 HydrophobicContact CB-CG 4.39Å; W373-W416 HydrophobicContact CB-CH2 4.27Å; W373-W416 HydrophobicContact CB-CZ2 4Å; W373-W416 HydrophobicContact CB-CZ3 4.33Å; W373-W416 AromaticContact CD1-CD2 3.8Å; W373-W416 AromaticContact CD1-CE3 3.47Å; W373-W416 VanDerWaalsContact CD1-CE3 3.47Å; W373-W416 HydrophobicContact CG-CD2 4.28Å; W373-W416 HydrophobicContact CG-CE3 4.22Å; W373-V417 PolarHBondContact NE1-O 3.48Å; W373-N420 HydrophobicContact CH2-CB 4.3Å; W373-N420 HydrophobicContact CZ2-CB 3.82Å; W373-C455 HydrophobicContact CB-CB 4.05Å; W373-C455 VanDerWaalsContact CB-SG 3.59Å; W373-C455 HydrophobicContact CD2-CB 4.49Å; W373-C455 HydrophobicContact CG-CB 3.82Å; W373-C470 HydrophobicContact CB-CB 4.31Å; W373-C470 PolarHBondContact N-O 3.32Å
374	V	82.4	Confident	85.5	Confident	24 Å²	24	40.1 Å²	40.1	15%	0.145	20%	0.202	C	C	.	.	H	α-helix	trans	-68.5	-44.7	-178.8	-179.5	0	0	0	0	111.3	M1 S372 A376 D377 F378	M1-V374 HydrophobicContact CG-CG2 4.27Å; M1-V374 VanDerWaalsContact N-CG2 3.34Å; S372-V374 PolarHBondContact O-N 3.48Å; V374-A376 VanDerWaalsContact C-N 3.28Å; V374-A376 PolarHBondContact O-N 2.92Å; V374-D377 PolarHBondContact O-N 2.85Å; V374-F378 WeakPolarHBondContact O-CB 3.43Å; V374-F378 PolarHBondContact O-N 3.15Å
375	E	83.9	Confident	85.8	Confident	90 Å²	90	37.1 Å²	37.1	42%	0.421	19%	0.186	S	C	.	.	H	α-helix	trans	-64.7	-37	177	-73.2	166.4	160.3	0	0	111	R371 S372 F379	R371-E375 HydrophobicContact CB-CB 3.79Å; R371-E375 HydrophobicContact CG-CB 4.06Å; S372-E375 PolarHBondContact N-OE2 3.22Å; S372-E375 PolarHBondContact O-N 3.09Å; S372-E375 WeakPolarHBondContact OG-CB 3.25Å; S372-E375 VanDerWaalsContact OG-CD 3.23Å; S372-E375 WeakPolarHBondContact OG-CG 3.48Å; S372-E375 PolarHBondContact OG-N 3.35Å; S372-E375 PolarHBondContact OG-OE2 3.19Å; E375-F379 VanDerWaalsContact O-CB 3.26Å; E375-F379 WeakPolarHBondContact O-CB 3.41Å; E375-F379 PolarHBondContact O-N 2.88Å
376	A	90.7	Very high	86.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.1	-42	175.6	0	0	0	0	0	112.4	R371 S372 W373 V374 F379 C380 L387 W416 W476	R371-A376 HydrophobicContact CB-CB 4.38Å; S372-A376 WeakPolarHBondContact O-CB 3.49Å; S372-A376 PolarHBondContact O-N 3.05Å; W373-A376 PolarHBondContact O-N 3.37Å; V374-A376 VanDerWaalsContact C-N 3.28Å; V374-A376 PolarHBondContact O-N 2.92Å; A376-F379 WeakPolarHBondContact O-CB 3.45Å; A376-F379 PolarHBondContact O-N 2.96Å; A376-C380 PolarHBondContact O-N 2.95Å; A376-C380 PolarHBondContact O-SG 3.46Å; A376-L387 HydrophobicContact CB-CD2 4.18Å; A376-W416 HydrophobicContact CB-CB 4.48Å; A376-W476 HydrophobicContact CB-CB 3.73Å; A376-W476 HydrophobicContact CB-CD2 3.95Å; A376-W476 HydrophobicContact CB-CE3 4.35Å; A376-W476 HydrophobicContact CB-CG 3.66Å
377	D	88.7	Confident	86.9	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.011	18%	0.183	C	C	.	.	H	α-helix	trans	-59.2	-52.2	173.5	-177.9	45.2	0	0	0	111.3	Y142 W373 V374 F379 C380 Q381 L387	Y142-D377 PolarHBondContact OH-OD2 2.95Å; W373-D377 HydrophobicContact CE3-CB 4.3Å; W373-D377 HydrophobicContact CH2-CB 4.4Å; W373-D377 HydrophobicContact CZ3-CB 4.04Å; W373-D377 WeakPolarHBondContact O-CB 3.47Å; W373-D377 PolarHBondContact O-N 3.21Å; V374-D377 PolarHBondContact O-N 2.85Å; D377-F379 PolarHBondContact O-N 2.74Å; D377-C380 PolarHBondContact O-N 3.06Å; D377-C380 VanDerWaalsContact O-N 3.12Å; D377-Q381 VanDerWaalsContact CG-NE2 3.29Å; D377-Q381 WeakPolarHBondContact O-CG 3.5Å; D377-Q381 PolarHBondContact O-N 3.45Å; D377-Q381 PolarHBondContact OD1-NE2 3.4Å; D377-Q381 VanDerWaalsContact OD1-NE2 3.16Å; D377-Q381 PolarHBondContact OD2-NE2 3.13Å; D377-L387 HydrophobicContact CB-CD1 3.65Å; D377-L387 HydrophobicContact CB-CG 4.21Å
378	F	84.1	Confident	87.5	Confident	136 Å²	136	36.2 Å²	36.2	60%	0.596	18%	0.181	S	C	*	.	H	α-helix	trans	-57.7	-39.2	175.9	-176.7	-95.9	0	0	0	112.3	V374 Q381 A382	V374-F378 WeakPolarHBondContact O-CB 3.43Å; V374-F378 PolarHBondContact O-N 3.15Å; F378-Q381 PolarHBondContact O-N 3.33Å; F378-A382 WeakPolarHBondContact O-CB 3.19Å; F378-A382 PolarHBondContact O-N 3.01Å
379	F	87.8	Confident	88.2	Confident	7 Å²	7	32.2 Å²	32.2	3%	0.031	16%	0.161	C	C	.	.	H	α-helix	trans	-61.8	-45.8	176.5	-174.7	-78.2	0	0	0	111.9	F362 R371 E375 A376 D377 L383 W476 W491 E628	F362-F379 AromaticContact CD1-CE1 3.78Å; F362-F379 HydrophobicContact CD1-CE1 3.78Å; F362-F379 HydrophobicContact CD1-CZ 4.06Å; F362-F379 HydrophobicContact CD2-CE1 4.34Å; F362-F379 AromaticContact CE1-CE1 3.41Å; F362-F379 HydrophobicContact CE1-CE1 3.41Å; F362-F379 VanDerWaalsContact CE1-CE1 3.41Å; F362-F379 AromaticContact CE1-CZ 3.78Å; F362-F379 HydrophobicContact CE1-CZ 3.78Å; F362-F379 HydrophobicContact CE2-CE1 4.02Å; F362-F379 HydrophobicContact CG-CE1 4.23Å; F362-F379 HydrophobicContact CZ-CD1 4.46Å; F362-F379 AromaticContact CZ-CE1 3.54Å; F362-F379 HydrophobicContact CZ-CE1 3.54Å; F362-F379 HydrophobicContact CZ-CZ 4.33Å; R371-F379 VanDerWaalsContact NH1-CE2 3.26Å; E375-F379 VanDerWaalsContact O-CB 3.26Å; E375-F379 WeakPolarHBondContact O-CB 3.41Å; E375-F379 PolarHBondContact O-N 2.88Å; A376-F379 WeakPolarHBondContact O-CB 3.45Å; A376-F379 PolarHBondContact O-N 2.96Å; D377-F379 PolarHBondContact O-N 2.74Å; F379-L383 HydrophobicContact CD1-CD1 4.08Å; F379-L383 HydrophobicContact CE1-CD1 3.69Å; F379-L383 PolarHBondContact O-N 2.83Å; F379-W476 HydrophobicContact CD1-CZ2 4.11Å; F379-W476 AromaticContact CD1-NE1 3.42Å; F379-W476 HydrophobicContact CD2-CZ2 4.26Å; F379-W476 HydrophobicContact CE1-CZ2 4.13Å; F379-W476 AromaticContact CE1-NE1 3.86Å; F379-W476 HydrophobicContact CE2-CZ2 4.25Å; F379-W476 HydrophobicContact CG-CZ2 4.17Å; F379-W476 HydrophobicContact CZ-CZ2 4.19Å; F379-W491 HydrophobicContact CD1-CH2 4.28Å; F379-W491 AromaticContact CD2-CH2 3.61Å; F379-W491 HydrophobicContact CD2-CH2 3.61Å; F379-W491 HydrophobicContact CD2-CZ2 4.28Å; F379-W491 AromaticContact CD2-CZ3 3.96Å; F379-W491 HydrophobicContact CD2-CZ3 3.96Å; F379-W491 HydrophobicContact CE1-CH2 4.03Å; F379-W491 HydrophobicContact CE1-CZ3 4.17Å; F379-W491 HydrophobicContact CE2-CE3 4.09Å; F379-W491 AromaticContact CE2-CH2 3.35Å; F379-W491 HydrophobicContact CE2-CH2 3.35Å; F379-W491 HydrophobicContact CE2-CZ2 4.31Å; F379-W491 AromaticContact CE2-CZ3 3.2Å; F379-W491 HydrophobicContact CE2-CZ3 3.2Å; F379-W491 HydrophobicContact CG-CH2 4.09Å; F379-W491 HydrophobicContact CZ-CE3 4.46Å; F379-W491 AromaticContact CZ-CH2 3.59Å; F379-W491 HydrophobicContact CZ-CH2 3.59Å; F379-W491 AromaticContact CZ-CZ3 3.34Å; F379-W491 HydrophobicContact CZ-CZ3 3.34Å; F379-E628 HydrophobicContact CE2-CG 4.31Å
380	C	91.9	Very high	88.4	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-43.9	175.5	-62.3	0	0	0	0	111.2	A376 D377 A382 L383 G384 A385 C478	A376-C380 PolarHBondContact O-N 2.95Å; A376-C380 PolarHBondContact O-SG 3.46Å; D377-C380 PolarHBondContact O-N 3.06Å; D377-C380 VanDerWaalsContact O-N 3.12Å; C380-A382 VanDerWaalsContact C-N 3.33Å; C380-A382 PolarHBondContact O-N 3.26Å; C380-L383 WeakPolarHBondContact O-CA 3.33Å; C380-L383 WeakPolarHBondContact O-CB 3.5Å; C380-L383 PolarHBondContact O-N 3.46Å; C380-G384 PolarHBondContact O-N 3.25Å; C380-A385 CarbonylContact C-O 3.55Å; C380-A385 HydrophobicContact CB-CB 4.44Å; C380-A385 CarbonylContact O-C 3.57Å; C380-A385 WeakPolarHBondContact O-CA 3.27Å; C380-A385 WeakPolarHBondContact O-CB 3.42Å; C380-A385 PolarHBondContact O-N 3Å; C380-C478 VanDerWaalsContact CA-SG 3.55Å; C380-C478 HydrophobicContact CB-CB 3.87Å; C380-C478 WeakPolarHBondContact CB-SG 3.38Å; C380-C478 VanDerWaalsContact SG-CA 3.59Å; C380-C478 WeakPolarHBondContact SG-CB 3.37Å; C380-C478 CovalentContact SG-SG 2.04Å; C380-C478 PolarHBondContact SG-SG 2.83Å
381	Q	87.6	Confident	87.9	Confident	60 Å²	60	25.8 Å²	25.8	28%	0.28	13%	0.13	S	C	.	.	H	α-helix	trans	-61.1	-39.3	178.7	-69.6	-179.8	11.7	0	0	112.7	D377 F378 L383 G384 A385	D377-Q381 VanDerWaalsContact CG-NE2 3.29Å; D377-Q381 WeakPolarHBondContact O-CG 3.5Å; D377-Q381 PolarHBondContact O-N 3.45Å; D377-Q381 PolarHBondContact OD1-NE2 3.4Å; D377-Q381 VanDerWaalsContact OD1-NE2 3.16Å; D377-Q381 PolarHBondContact OD2-NE2 3.13Å; F378-Q381 PolarHBondContact O-N 3.33Å; Q381-L383 PolarHBondContact O-N 3.06Å; Q381-G384 WeakPolarHBondContact O-CA 3.39Å; Q381-G384 PolarHBondContact O-N 2.98Å; Q381-A385 VanDerWaalsContact CA-O 3.23Å; Q381-A385 WeakPolarHBondContact CA-O 3.47Å; Q381-A385 PolarHBondContact N-O 2.02Å
382	A	81.8	Confident	87.5	Confident	28 Å²	28	28.6 Å²	28.6	23%	0.231	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-27.7	175.4	0	0	0	0	0	112.7	F378 C380 G384 P489 W491	F378-A382 WeakPolarHBondContact O-CB 3.19Å; F378-A382 PolarHBondContact O-N 3.01Å; C380-A382 VanDerWaalsContact C-N 3.33Å; C380-A382 PolarHBondContact O-N 3.26Å; A382-G384 VanDerWaalsContact C-N 3.28Å; A382-P489 HydrophobicContact CB-CG 4.1Å; A382-P489 WeakPolarHBondContact O-CG 3.38Å; A382-W491 HydrophobicContact CB-CZ2 3.9Å
383	L	86.8	Confident	86.9	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-1.6	173.5	-62.8	174.7	0	0	0	113.3	F362 F379 C380 Q381 A385 L486 K487 P489 W491 Y492	F362-L383 HydrophobicContact CE2-CD1 4.34Å; F362-L383 HydrophobicContact CZ-CD1 3.73Å; F379-L383 HydrophobicContact CD1-CD1 4.08Å; F379-L383 HydrophobicContact CE1-CD1 3.69Å; F379-L383 PolarHBondContact O-N 2.83Å; C380-L383 WeakPolarHBondContact O-CA 3.33Å; C380-L383 WeakPolarHBondContact O-CB 3.5Å; C380-L383 PolarHBondContact O-N 3.46Å; Q381-L383 PolarHBondContact O-N 3.06Å; L383-A385 HydrophobicContact CB-CB 4.44Å; L383-L486 HydrophobicContact CB-CD1 3.98Å; L383-L486 WeakPolarHBondContact O-CD1 3.38Å; L383-K487 WeakPolarHBondContact CA-O 3.25Å; L383-K487 PolarHBondContact O-N 3.09Å; L383-P489 HydrophobicContact CD2-CG 4.37Å; L383-W491 HydrophobicContact CD2-CH2 4.03Å; L383-W491 HydrophobicContact CD2-CZ3 4.46Å; L383-W491 HydrophobicContact CG-CH2 4.21Å; L383-Y492 HydrophobicContact CD1-CE2 4.25Å; L383-Y492 HydrophobicContact CD2-CD1 4.18Å; L383-Y492 HydrophobicContact CD2-CD2 3.71Å; L383-Y492 HydrophobicContact CD2-CE1 4.48Å; L383-Y492 HydrophobicContact CD2-CE2 4.02Å; L383-Y492 HydrophobicContact CD2-CG 3.77Å
384	G	87.3	Confident	86.3	Confident	19 Å²	19	37.9 Å²	37.9	20%	0.196	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	19.7	-170.6	0	0	0	0	0	113.1	C380 Q381 A382 L480	C380-G384 PolarHBondContact O-N 3.25Å; Q381-G384 WeakPolarHBondContact O-CA 3.39Å; Q381-G384 PolarHBondContact O-N 2.98Å; A382-G384 VanDerWaalsContact C-N 3.28Å; G384-L480 WeakPolarHBondContact O-CD1 3.4Å
385	A	91.7	Very high	86.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.176	C	C	.	.			trans	-111.6	179.3	176.5	0	0	0	0	0	109.9	W349 C380 Q381 L383 C478 K479 L480	W349-A385 HydrophobicContact CH2-CB 3.59Å; W349-A385 HydrophobicContact CZ2-CB 4.35Å; W349-A385 HydrophobicContact CZ3-CB 4.38Å; C380-A385 CarbonylContact C-O 3.55Å; C380-A385 HydrophobicContact CB-CB 4.44Å; C380-A385 CarbonylContact O-C 3.57Å; C380-A385 WeakPolarHBondContact O-CA 3.27Å; C380-A385 WeakPolarHBondContact O-CB 3.42Å; C380-A385 PolarHBondContact O-N 3Å; Q381-A385 VanDerWaalsContact CA-O 3.23Å; Q381-A385 WeakPolarHBondContact CA-O 3.47Å; Q381-A385 PolarHBondContact N-O 2.02Å; L383-A385 HydrophobicContact CB-CB 4.44Å; A385-C478 HydrophobicContact CB-CB 4.24Å; A385-K479 WeakPolarHBondContact CA-O 3.07Å; A385-K479 VanDerWaalsContact CB-O 3.29Å; A385-K479 WeakPolarHBondContact CB-O 3.08Å; A385-L480 HydrophobicContact CB-CB 4.27Å; A385-L480 HydrophobicContact CB-CD1 4.21Å
386	Q	93.2	Very high	86.5	Confident	73 Å²	73	33.2 Å²	33.2	34%	0.341	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	163.5	173	-67	80.1	14.4	0	0	109.4	D434 C478 K479	Q386-D434 HydrophobicContact CB-CB 4.06Å; Q386-D434 HydrophobicContact CG-CB 4Å; Q386-C478 CarbonylContact O-C 3.44Å; Q386-C478 VanDerWaalsContact O-CA 3.23Å; Q386-C478 WeakPolarHBondContact O-CA 3.48Å; Q386-K479 PolarHBondContact N-O 3.22Å; Q386-K479 PolarHBondContact O-N 3.04Å
387	L	95.2	Very high	86.2	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	147.9	165	-80.2	171.1	0	0	0	110	W373 A376 D377 S389 W416 W476	W373-L387 HydrophobicContact CD2-CD1 4.12Å; W373-L387 HydrophobicContact CG-CD1 4.47Å; W373-L387 HydrophobicContact CZ2-CD1 3.9Å; A376-L387 HydrophobicContact CB-CD2 4.18Å; D377-L387 HydrophobicContact CB-CD1 3.65Å; D377-L387 HydrophobicContact CB-CG 4.21Å; L387-S389 PolarHBondContact O-N 3.4Å; L387-W416 HydrophobicContact CD2-CB 4.43Å; L387-W476 HydrophobicContact CD2-CB 4.12Å
388	A	94.6	Very high	86.2	Confident	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.			trans	-60	126	-174.5	0	0	0	0	0	111.8	F359 V417 G418 W432 I477 K479	F359-A388 HydrophobicContact CD1-CB 4.24Å; F359-A388 HydrophobicContact CE1-CB 4.28Å; A388-V417 HydrophobicContact CB-CG1 4.4Å; A388-G418 PolarHBondContact O-N 2.97Å; A388-W432 WeakPolarHBondContact O-CZ3 3.47Å; A388-I477 HydrophobicContact CB-CB 3.89Å; A388-I477 HydrophobicContact CB-CG2 3.75Å; A388-I477 PolarHBondContact N-O 3.19Å; A388-K479 HydrophobicContact CB-CB 4.44Å
389	S	92.1	Very high	86.5	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.			trans	-116.9	148.6	169.4	66.5	0	0	0	0	109.7	L387 W432 D434 K479	L387-S389 PolarHBondContact O-N 3.4Å; S389-W432 VanDerWaalsContact CA-CE3 3.49Å; S389-D434 WeakPolarHBondContact CB-OD1 2.67Å; S389-D434 VanDerWaalsContact CB-OD2 3.31Å; S389-D434 WeakPolarHBondContact CB-OD2 3.25Å; S389-D434 VanDerWaalsContact OG-CG 3.3Å; S389-D434 PolarHBondContact OG-OD2 2.88Å; S389-K479 WeakPolarHBondContact O-CD 3.15Å; S389-K479 PolarHBondContact O-NZ 3.4Å; S389-K479 WeakPolarHBondContact OG-CD 3.41Å; S389-K479 PolarHBondContact OG-NZ 3.14Å
390	F	86.6	Confident	86.4	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.			trans	-114.8	102.5	179.2	-54.3	-66.7	0	0	0	109.9	F359 E395 Q396 V399 V417 W432 F442 M465	F359-F390 HydrophobicContact CE1-CE1 4.43Å; F390-E395 WeakPolarHBondContact CA-OE2 3.15Å; F390-E395 HydrophobicContact CD1-CB 3.84Å; F390-Q396 HydrophobicContact CD1-CB 4.12Å; F390-Q396 HydrophobicContact CE1-CB 4.47Å; F390-Q396 HydrophobicContact CG-CB 4.19Å; F390-V399 HydrophobicContact CE1-CB 3.97Å; F390-V399 HydrophobicContact CE1-CG1 4.46Å; F390-V399 HydrophobicContact CE1-CG2 3.71Å; F390-V399 HydrophobicContact CZ-CB 4.25Å; F390-V399 HydrophobicContact CZ-CG1 4.27Å; F390-V399 HydrophobicContact CZ-CG2 4.28Å; F390-V417 HydrophobicContact CE2-CG1 4.32Å; F390-W432 HydrophobicContact CB-CZ2 4.25Å; F390-W432 AromaticContact CD2-CH2 3.56Å; F390-W432 HydrophobicContact CD2-CH2 3.56Å; F390-W432 AromaticContact CD2-CZ2 3.92Å; F390-W432 HydrophobicContact CD2-CZ2 3.92Å; F390-W432 HydrophobicContact CE2-CH2 4.12Å; F390-W432 HydrophobicContact CG-CH2 4.45Å; F390-F442 HydrophobicContact CB-CZ 4.16Å; F390-M465 HydrophobicContact CD2-CE 3.41Å; F390-M465 VanDerWaalsContact CD2-CE 3.41Å; F390-M465 HydrophobicContact CE2-CE 3.74Å
391	Q	76.9	Confident	86.2	Confident	51 Å²	51	39.2 Å²	39.2	24%	0.238	19%	0.191	C	C	.	.	S	Bend	trans	-82.6	-25	176.6	-70.1	173.3	-0.2	0	0	111.8	H357 E395 S436 V439	H357-Q391 PolarHBondContact CE1-OE1 2.9Å; Q391-E395 PolarHBondContact N-OE2 3.11Å; Q391-S436 PolarHBondContact NE2-OG 2.91Å; Q391-V439 WeakPolarHBondContact O-CG2 3.39Å
392	H	74.9	Confident	86.2	Confident	87 Å²	87	37 Å²	37	40%	0.403	18%	0.181	S	C	.	.	S	Bend	trans	-135.8	150.1	179.4	-59.2	-61.6	0	0	0	110.3	E394 E395	H392-E394 WeakPolarHBondContact CB-OE2 3.45Å; H392-E394 PolarHBondContact O-N 3.16Å; H392-E395 WeakPolarHBondContact O-CB 3.36Å; H392-E395 PolarHBondContact O-N 3.48Å; H392-E395 VanDerWaalsContact O-N 3.09Å
393	Y	75.6	Confident	86.6	Confident	114 Å²	114	35.7 Å²	35.7	45%	0.447	17%	0.17	S	C	.	.	H	α-helix	trans	-60.6	-31	178.3	176.3	-104.7	0	0	0	112.1	E395 Q396 V397	Y393-E395 VanDerWaalsContact C-N 3.27Å; Y393-E395 PolarHBondContact O-N 2.86Å; Y393-Q396 WeakPolarHBondContact O-CB 3.06Å; Y393-Q396 PolarHBondContact O-N 2.94Å; Y393-V397 HydrophobicContact CD1-CG2 3.81Å; Y393-V397 HydrophobicContact CE1-CG2 3.3Å; Y393-V397 HydrophobicContact CE2-CG2 4.08Å; Y393-V397 HydrophobicContact CG-CG2 4.38Å; Y393-V397 VanDerWaalsContact CZ-CG2 3.45Å; Y393-V397 WeakPolarHBondContact O-CG2 3.28Å; Y393-V397 PolarHBondContact O-N 2.79Å
394	E	79.4	Confident	86.5	Confident	104 Å²	104	38.7 Å²	38.7	49%	0.486	19%	0.191	S	C	.	.	H	α-helix	trans	-59.8	-34.7	175.5	-66.7	84.3	172.7	0	0	113	L355 H392 V397 F398	L355-E394 HydrophobicContact CD2-CB 4.26Å; H392-E394 WeakPolarHBondContact CB-OE2 3.45Å; H392-E394 PolarHBondContact O-N 3.16Å; E394-V397 PolarHBondContact O-N 2.85Å; E394-F398 WeakPolarHBondContact O-CB 3.4Å; E394-F398 PolarHBondContact O-N 3.25Å
395	E	86.1	Confident	86.3	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.009	19%	0.192	C	C	.	.	H	α-helix	trans	-66.1	-41.6	176.7	-63.8	-172.3	147.5	0	0	111.1	L355 H357 F359 F390 Q391 H392 Y393 F398 V399 K479	L355-E395 HydrophobicContact CD2-CG 3.92Å; H357-E395 IonicContact CE1-OE1 2.74Å; H357-E395 IonicContact CG-OE1 3.69Å; H357-E395 IonicContact ND1-OE1 2.62Å; H357-E395 PolarHBondContact ND1-OE1 2.85Å; F359-E395 HydrophobicContact CZ-CB 4.04Å; F359-E395 HydrophobicContact CZ-CG 4.25Å; F390-E395 WeakPolarHBondContact CA-OE2 3.15Å; F390-E395 HydrophobicContact CD1-CB 3.84Å; Q391-E395 PolarHBondContact N-OE2 3.11Å; H392-E395 WeakPolarHBondContact O-CB 3.36Å; H392-E395 PolarHBondContact O-N 3.48Å; H392-E395 VanDerWaalsContact O-N 3.09Å; Y393-E395 VanDerWaalsContact C-N 3.27Å; Y393-E395 PolarHBondContact O-N 2.86Å; E395-F398 PolarHBondContact O-N 2.61Å; E395-V399 PolarHBondContact O-N 2.68Å; E395-K479 IonicContact OE1-NZ 3.59Å; E395-K479 IonicContact OE2-NZ 2.69Å; E395-K479 PolarHBondContact OE2-NZ 2.97Å
396	Q	83.5	Confident	86	Confident	14 Å²	14	40.4 Å²	40.4	7%	0.065	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-47.3	176	-179.4	-174.5	-16	0	0	111	F390 Y393 F398 V399 K400 Y458 D463	F390-Q396 HydrophobicContact CD1-CB 4.12Å; F390-Q396 HydrophobicContact CE1-CB 4.47Å; F390-Q396 HydrophobicContact CG-CB 4.19Å; Y393-Q396 WeakPolarHBondContact O-CB 3.06Å; Y393-Q396 PolarHBondContact O-N 2.94Å; Q396-F398 PolarHBondContact O-N 3.39Å; Q396-V399 PolarHBondContact O-N 3.09Å; Q396-K400 WeakPolarHBondContact O-CB 3.43Å; Q396-K400 PolarHBondContact O-N 3.12Å; Q396-Y458 HydrophobicContact CG-CE2 4.17Å; Q396-D463 PolarHBondContact NE2-O 2.83Å; Q396-D463 PolarHBondContact NE2-OD1 3.38Å
397	V	84.4	Confident	85.6	Confident	60 Å²	60	37.4 Å²	37.4	36%	0.364	18%	0.182	S	C	.	.	H	α-helix	trans	-59.2	-39.3	177.9	173.4	0	0	0	0	111.2	Y393 E394 K400 H401	Y393-V397 HydrophobicContact CD1-CG2 3.81Å; Y393-V397 HydrophobicContact CE1-CG2 3.3Å; Y393-V397 HydrophobicContact CE2-CG2 4.08Å; Y393-V397 HydrophobicContact CG-CG2 4.38Å; Y393-V397 VanDerWaalsContact CZ-CG2 3.45Å; Y393-V397 WeakPolarHBondContact O-CG2 3.28Å; Y393-V397 PolarHBondContact O-N 2.79Å; E394-V397 PolarHBondContact O-N 2.85Å; V397-K400 WeakPolarHBondContact O-CB 3.33Å; V397-H401 WeakPolarHBondContact O-CB 3.33Å; V397-H401 PolarHBondContact O-N 3Å
398	F	88.3	Confident	84.6	Confident	23 Å²	23	42.5 Å²	42.5	10%	0.101	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-49.2	175.3	173.5	-109.3	0	0	0	112.3	E350 S351 H352 L355 F359 E394 E395 Q396 K400 H401 L402	E350-F398 HydrophobicContact CB-CZ 3.97Å; S351-F398 VanDerWaalsContact CA-CZ 3.44Å; H352-F398 HydrophobicContact CB-CD2 4.15Å; H352-F398 HydrophobicContact CB-CE2 4.22Å; H352-F398 AromaticContact CD2-CD2 3.48Å; H352-F398 VanDerWaalsContact CD2-CD2 3.48Å; H352-F398 WeakPolarHBondContact CD2-CD2 3.22Å; H352-F398 AromaticContact CD2-CG 3.67Å; L355-F398 HydrophobicContact CD1-CB 3.91Å; L355-F398 HydrophobicContact CD1-CD1 3.87Å; L355-F398 HydrophobicContact CD1-CG 3.85Å; F359-F398 HydrophobicContact CB-CE1 4.28Å; F359-F398 AromaticContact CD2-CD1 3.76Å; F359-F398 HydrophobicContact CD2-CD1 3.76Å; F359-F398 AromaticContact CD2-CE1 3.74Å; F359-F398 HydrophobicContact CD2-CE1 3.74Å; F359-F398 HydrophobicContact CE2-CD1 4.22Å; F359-F398 HydrophobicContact CG-CE1 4.37Å; E394-F398 WeakPolarHBondContact O-CB 3.4Å; E394-F398 PolarHBondContact O-N 3.25Å; E395-F398 PolarHBondContact O-N 2.61Å; Q396-F398 PolarHBondContact O-N 3.39Å; F398-K400 VanDerWaalsContact C-N 3.31Å; F398-K400 PolarHBondContact O-N 3.23Å; F398-H401 PolarHBondContact O-N 2.74Å; F398-H401 VanDerWaalsContact O-N 3.17Å; F398-L402 HydrophobicContact CE1-CD2 4.32Å; F398-L402 HydrophobicContact CZ-CD2 4.47Å; F398-L402 WeakPolarHBondContact O-CB 3.36Å; F398-L402 PolarHBondContact O-N 3.08Å
399	V	89.9	Confident	83	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.2	-40.7	179.2	169.2	0	0	0	0	111.1	F359 F390 E395 Q396 H401 L402 L403 Y458 I477	F359-V399 HydrophobicContact CB-CG2 4.41Å; F359-V399 HydrophobicContact CD1-CG2 3.8Å; F359-V399 HydrophobicContact CD2-CG2 4.38Å; F359-V399 HydrophobicContact CE1-CG2 4.12Å; F359-V399 HydrophobicContact CG-CG2 3.94Å; F390-V399 HydrophobicContact CE1-CB 3.97Å; F390-V399 HydrophobicContact CE1-CG1 4.46Å; F390-V399 HydrophobicContact CE1-CG2 3.71Å; F390-V399 HydrophobicContact CZ-CB 4.25Å; F390-V399 HydrophobicContact CZ-CG1 4.27Å; F390-V399 HydrophobicContact CZ-CG2 4.28Å; E395-V399 PolarHBondContact O-N 2.68Å; Q396-V399 PolarHBondContact O-N 3.09Å; V399-H401 PolarHBondContact O-N 3.34Å; V399-L402 WeakPolarHBondContact O-CB 3.36Å; V399-L402 PolarHBondContact O-N 3.11Å; V399-L403 HydrophobicContact CG1-CD1 4.14Å; V399-L403 HydrophobicContact CG1-CG 4.33Å; V399-L403 WeakPolarHBondContact O-CG 3.34Å; V399-L403 PolarHBondContact O-N 2.88Å; V399-Y458 HydrophobicContact CG1-CD1 4.32Å; V399-Y458 HydrophobicContact CG1-CE1 3.99Å; V399-I477 HydrophobicContact CG1-CD1 3.68Å
400	K	87.6	Confident	81.5	Confident	81 Å²	81	50.9 Å²	50.9	35%	0.352	27%	0.269	S	S	.	.	H	α-helix	trans	-54.5	-51.4	171.7	-173.4	-170.3	-166.8	157.5	0	111.9	Q396 V397 F398 L402 L403 S404 Y458 D463	Q396-K400 WeakPolarHBondContact O-CB 3.43Å; Q396-K400 PolarHBondContact O-N 3.12Å; V397-K400 WeakPolarHBondContact O-CB 3.33Å; F398-K400 VanDerWaalsContact C-N 3.31Å; F398-K400 PolarHBondContact O-N 3.23Å; K400-L402 VanDerWaalsContact C-N 3.32Å; K400-L402 PolarHBondContact O-N 2.86Å; K400-L403 PolarHBondContact O-N 3.26Å; K400-S404 WeakPolarHBondContact O-CB 3.42Å; K400-S404 PolarHBondContact O-N 3.42Å; K400-S404 PolarHBondContact O-OG 3.47Å; K400-Y458 WeakPolarHBondContact CB-OH 3.42Å; K400-D463 HydrophobicContact CD-CB 4.13Å; K400-D463 WeakPolarHBondContact CD-OD2 3.41Å; K400-D463 WeakPolarHBondContact CE-OD2 2.86Å; K400-D463 IonicContact NZ-OD2 2.79Å; K400-D463 PolarHBondContact NZ-OD2 3.38Å
401	H	86.6	Confident	80.4	Confident	108 Å²	108	57.9 Å²	57.9	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-62.4	-41.4	-179.7	-178.7	56.6	0	0	0	111.5	V397 F398 V399 S404 T405	V397-H401 WeakPolarHBondContact O-CB 3.33Å; V397-H401 PolarHBondContact O-N 3Å; F398-H401 PolarHBondContact O-N 2.74Å; F398-H401 VanDerWaalsContact O-N 3.17Å; V399-H401 PolarHBondContact O-N 3.34Å; H401-S404 PolarHBondContact O-N 2.85Å; H401-S404 PolarHBondContact O-OG 3.1Å; H401-T405 WeakPolarHBondContact O-CB 3.4Å; H401-T405 PolarHBondContact O-N 2.96Å; H401-T405 VanDerWaalsContact O-N 3.08Å; H401-T405 PolarHBondContact O-OG1 3.27Å
402	L	88.7	Confident	80.2	Confident	14 Å²	14	57.3 Å²	57.3	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-59	-50.6	175.9	-179.9	61	0	0	0	111.6	E350 V361 F398 V399 K400 S404 T405 M406	E350-L402 HydrophobicContact CB-CD1 4.16Å; E350-L402 HydrophobicContact CB-CD2 4.15Å; E350-L402 HydrophobicContact CG-CD1 4.03Å; V361-L402 HydrophobicContact CG2-CD2 3.92Å; V361-L402 HydrophobicContact CG2-CG 4.38Å; F398-L402 HydrophobicContact CE1-CD2 4.32Å; F398-L402 HydrophobicContact CZ-CD2 4.47Å; F398-L402 WeakPolarHBondContact O-CB 3.36Å; F398-L402 PolarHBondContact O-N 3.08Å; V399-L402 WeakPolarHBondContact O-CB 3.36Å; V399-L402 PolarHBondContact O-N 3.11Å; K400-L402 VanDerWaalsContact C-N 3.32Å; K400-L402 PolarHBondContact O-N 2.86Å; L402-S404 PolarHBondContact O-N 3.49Å; L402-T405 WeakPolarHBondContact O-CB 3.4Å; L402-T405 PolarHBondContact O-N 3.4Å; L402-M406 HydrophobicContact CD1-CG 4.43Å; L402-M406 HydrophobicContact CD1-SD 4.1Å; L402-M406 HydrophobicContact CG-SD 4.11Å; L402-M406 WeakPolarHBondContact O-CG 3.23Å; L402-M406 PolarHBondContact O-N 3.06Å
403	L	89.3	Confident	80.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-44.8	178.9	-66.2	177.5	0	0	0	112	V361 V399 K400 T405 M406 F407 F415 Y458 D460 I477	V361-L403 HydrophobicContact CB-CD2 4.46Å; V361-L403 HydrophobicContact CG1-CD2 3.81Å; V361-L403 HydrophobicContact CG2-CD2 3.8Å; V399-L403 HydrophobicContact CG1-CD1 4.14Å; V399-L403 HydrophobicContact CG1-CG 4.33Å; V399-L403 WeakPolarHBondContact O-CG 3.34Å; V399-L403 PolarHBondContact O-N 2.88Å; K400-L403 PolarHBondContact O-N 3.26Å; L403-T405 PolarHBondContact O-N 3.04Å; L403-M406 PolarHBondContact O-N 3.35Å; L403-F407 HydrophobicContact CD2-CD2 4.32Å; L403-F407 HydrophobicContact CD2-CE2 3.91Å; L403-F407 PolarHBondContact O-N 3.4Å; L403-F415 HydrophobicContact CD1-CD2 3.86Å; L403-F415 HydrophobicContact CD1-CE2 3.94Å; L403-F415 HydrophobicContact CD2-CD2 4.15Å; L403-F415 HydrophobicContact CD2-CE1 4.18Å; L403-F415 HydrophobicContact CD2-CE2 3.77Å; L403-F415 HydrophobicContact CD2-CZ 3.8Å; L403-F415 HydrophobicContact CG-CE2 4.43Å; L403-Y458 HydrophobicContact CD1-CD1 3.76Å; L403-Y458 HydrophobicContact CD1-CE1 3.66Å; L403-D460 HydrophobicContact CB-CB 4.02Å; L403-D460 HydrophobicContact CD1-CB 4.02Å; L403-I477 HydrophobicContact CD1-CD1 4.25Å; L403-I477 HydrophobicContact CD2-CD1 4.42Å
404	S	85.1	Confident	81.4	Confident	63 Å²	63	55 Å²	55	44%	0.441	30%	0.296	S	S	.	.	H	α-helix	trans	-62.6	-23.5	177.5	73.7	0	0	0	0	113.8	K400 H401 L402	K400-S404 WeakPolarHBondContact O-CB 3.42Å; K400-S404 PolarHBondContact O-N 3.42Å; K400-S404 PolarHBondContact O-OG 3.47Å; H401-S404 PolarHBondContact O-N 2.85Å; H401-S404 PolarHBondContact O-OG 3.1Å; L402-S404 PolarHBondContact O-N 3.49Å
405	T	83.4	Confident	82.1	Confident	33 Å²	33	50 Å²	50	20%	0.202	27%	0.273	C	S	.	.	H	α-helix	trans	-82.5	-37.1	175.6	-56.5	0	0	0	0	110.7	H401 L402 L403 Y502 F541	H401-T405 WeakPolarHBondContact O-CB 3.4Å; H401-T405 PolarHBondContact O-N 2.96Å; H401-T405 VanDerWaalsContact O-N 3.08Å; H401-T405 PolarHBondContact O-OG1 3.27Å; L402-T405 WeakPolarHBondContact O-CB 3.4Å; L402-T405 PolarHBondContact O-N 3.4Å; L403-T405 PolarHBondContact O-N 3.04Å; T405-Y502 HydrophobicContact CG2-CD2 4.08Å; T405-Y502 HydrophobicContact CG2-CE2 4.18Å; T405-Y502 WeakPolarHBondContact O-CD2 3.34Å; T405-Y502 VanDerWaalsContact O-CE2 3.24Å; T405-Y502 WeakPolarHBondContact O-CE2 3.38Å; T405-F541 HydrophobicContact CG2-CD2 3.78Å; T405-F541 HydrophobicContact CG2-CE2 4.06Å
406	M	84.4	Confident	82.6	Confident	21 Å²	21	49.9 Å²	49.9	10%	0.103	27%	0.272	C	S	.	.	H	α-helix	trans	-75.4	-39.3	-178.2	-69.2	-179.3	72	0	0	113	V361 L402 L403 F501 R503	V361-M406 HydrophobicContact CB-CE 4.19Å; V361-M406 HydrophobicContact CB-SD 4.05Å; V361-M406 HydrophobicContact CG2-SD 4.04Å; L402-M406 HydrophobicContact CD1-CG 4.43Å; L402-M406 HydrophobicContact CD1-SD 4.1Å; L402-M406 HydrophobicContact CG-SD 4.11Å; L402-M406 WeakPolarHBondContact O-CG 3.23Å; L402-M406 PolarHBondContact O-N 3.06Å; L403-M406 PolarHBondContact O-N 3.35Å; M406-F501 HydrophobicContact CB-CD1 4.38Å; M406-F501 HydrophobicContact CE-CB 4.45Å; M406-F501 HydrophobicContact CE-CD1 3.91Å; M406-R503 PolarHBondContact O-N 2.99Å
407	F	85.1	Confident	83.1	Confident	10 Å²	10	49.2 Å²	49.2	4%	0.044	27%	0.269	C	S	.	.	S	Bend	trans	-120.1	154.3	-171.5	-51.5	-67.2	0	0	0	112.5	V361 H363 L403 F415 F501	V361-F407 HydrophobicContact CG1-CE2 4.32Å; V361-F407 HydrophobicContact CG1-CZ 4.49Å; H363-F407 HydrophobicContact CB-CE1 4.12Å; H363-F407 HydrophobicContact CB-CZ 3.61Å; H363-F407 AromaticContact CG-CZ 3.72Å; L403-F407 HydrophobicContact CD2-CD2 4.32Å; L403-F407 HydrophobicContact CD2-CE2 3.91Å; L403-F407 PolarHBondContact O-N 3.4Å; F407-F415 HydrophobicContact CD2-CZ 4.03Å; F407-F415 HydrophobicContact CE2-CE1 4.06Å; F407-F415 HydrophobicContact CE2-CE2 4.44Å; F407-F415 AromaticContact CE2-CZ 3.49Å; F407-F415 HydrophobicContact CE2-CZ 3.49Å; F407-F415 VanDerWaalsContact CE2-CZ 3.49Å; F407-F415 HydrophobicContact CZ-CE1 4.38Å; F407-F415 HydrophobicContact CZ-CZ 4.11Å; F407-F501 HydrophobicContact CD1-CE1 4.34Å; F407-F501 AromaticContact CE1-CE1 3.93Å; F407-F501 HydrophobicContact CE1-CE1 3.93Å
408	E	74.3	Confident	83.5	Confident	107 Å²	107	46.4 Å²	46.4	50%	0.5	25%	0.252	S	S	.	.			trans	-87.6	126.7	172.1	-63.8	-167.4	153.7	0	0	109.7	T410 R503	E408-T410 PolarHBondContact O-N 3.48Å; E408-R503 HydrophobicContact CG-CG 4.03Å; E408-R503 WeakPolarHBondContact OE1-CD 3.31Å; E408-R503 IonicContact OE1-CZ 2.9Å; E408-R503 IonicContact OE1-NE 3.07Å; E408-R503 IonicContact OE1-NH1 2.73Å; E408-R503 PolarHBondContact OE1-NH1 3.09Å
409	G	61	Low	83.5	Confident	55 Å²	55	45.3 Å²	45.3	57%	0.567	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	29.5	-172.1	0	0	0	0	0	116.2	L461	G409-L461 VanDerWaalsContact O-CD2 3.31Å; G409-L461 WeakPolarHBondContact O-CD2 3.45Å
410	T	60.5	Low	83.4	Confident	121 Å²	121	45.7 Å²	45.7	74%	0.742	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-26.8	177.1	50.8	0	0	0	0	112.7	E408	E408-T410 PolarHBondContact O-N 3.48Å
411	E	63	Low	83.2	Confident	148 Å²	148	42.5 Å²	42.5	69%	0.692	24%	0.235	S	C	*	.	S	Bend	trans	-123.3	105.1	178	-64.4	-175.4	172.9	0	0	108.3	R413	E411-R413 PolarHBondContact O-N 3.32Å
412	G	72.2	Confident	82.8	Confident	38 Å²	38	39.8 Å²	39.8	39%	0.392	22%	0.221	S	C	.	.			trans	-62.3	127.1	-178	0	0	0	0	0	111.8
413	R	87	Confident	82.2	Confident	55 Å²	55	40.8 Å²	40.8	21%	0.208	23%	0.226	C	C	.	.			trans	-104.2	152.7	178.4	-66.1	-167.3	178.9	-159.4	9.1	110.9	E365 E411 F415 D460 E475	E365-R413 IonicContact OE1-CZ 2.73Å; E365-R413 IonicContact OE1-NH1 3.44Å; E365-R413 PolarHBondContact OE1-NH1 3.39Å; E365-R413 VanDerWaalsContact OE1-NH1 3.09Å; E365-R413 IonicContact OE1-NH2 3.29Å; E365-R413 PolarHBondContact OE1-NH2 2.8Å; E365-R413 IonicContact OE2-NH1 3.59Å; E365-R413 PolarHBondContact OE2-NH1 3Å; E411-R413 PolarHBondContact O-N 3.32Å; R413-F415 HydrophobicContact CB-CE2 3.56Å; R413-F415 HydrophobicContact CB-CZ 3.76Å; R413-D460 PolarHBondContact N-OD1 3.21Å; R413-D460 PolarHBondContact O-N 3.02Å; R413-E475 WeakPolarHBondContact CD-OE2 3.39Å; R413-E475 IonicContact NH1-OE1 3.72Å; R413-E475 PolarHBondContact NH1-OE1 3.08Å
414	W	90	Very high	81.2	Confident	97 Å²	97	46 Å²	46	37%	0.367	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.5	-178.8	-61.9	-35	0	0	0	110.2	V457 Y458 H474	W414-V457 HydrophobicContact CB-CB 4.01Å; W414-V457 HydrophobicContact CB-CG1 4.32Å; W414-V457 HydrophobicContact CB-CG2 4Å; W414-V457 HydrophobicContact CG-CG2 4.08Å; W414-Y458 WeakPolarHBondContact CA-O 3.47Å; W414-H474 AromaticContact CE3-CE1 3.77Å
415	F	93.9	Very high	80.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.2	-176.5	-58.4	-89.7	0	0	0	110.7	V361 H363 L403 F407 R413 V417 V457 Y458 D460 E475 I477	V361-F415 HydrophobicContact CG1-CD1 3.91Å; V361-F415 HydrophobicContact CG1-CE1 3.6Å; V361-F415 HydrophobicContact CG1-CZ 4.39Å; H363-F415 HydrophobicContact CB-CE1 4.48Å; L403-F415 HydrophobicContact CD1-CD2 3.86Å; L403-F415 HydrophobicContact CD1-CE2 3.94Å; L403-F415 HydrophobicContact CD2-CD2 4.15Å; L403-F415 HydrophobicContact CD2-CE1 4.18Å; L403-F415 HydrophobicContact CD2-CE2 3.77Å; L403-F415 HydrophobicContact CD2-CZ 3.8Å; L403-F415 HydrophobicContact CG-CE2 4.43Å; F407-F415 HydrophobicContact CD2-CZ 4.03Å; F407-F415 HydrophobicContact CE2-CE1 4.06Å; F407-F415 HydrophobicContact CE2-CE2 4.44Å; F407-F415 AromaticContact CE2-CZ 3.49Å; F407-F415 HydrophobicContact CE2-CZ 3.49Å; F407-F415 VanDerWaalsContact CE2-CZ 3.49Å; F407-F415 HydrophobicContact CZ-CE1 4.38Å; F407-F415 HydrophobicContact CZ-CZ 4.11Å; R413-F415 HydrophobicContact CB-CE2 3.56Å; R413-F415 HydrophobicContact CB-CZ 3.76Å; F415-V417 PolarHBondContact O-N 2.93Å; F415-V457 CarbonylContact O-C 3.56Å; F415-V457 VanDerWaalsContact O-CA 3.31Å; F415-V457 WeakPolarHBondContact O-CA 3.21Å; F415-Y458 PolarHBondContact N-O 3.1Å; F415-Y458 PolarHBondContact O-N 3.2Å; F415-D460 HydrophobicContact CE2-CB 4.32Å; F415-E475 CarbonylContact C-O 3.58Å; F415-E475 VanDerWaalsContact CA-O 3.28Å; F415-E475 WeakPolarHBondContact CA-O 3.35Å; F415-E475 HydrophobicContact CD1-CB 3.45Å; F415-E475 VanDerWaalsContact CD1-CB 3.45Å; F415-E475 HydrophobicContact CE1-CB 3.6Å; F415-E475 HydrophobicContact CE1-CG 4.31Å; F415-E475 VanDerWaalsContact CE1-OE2 3.25Å; F415-E475 WeakPolarHBondContact CE1-OE2 3.49Å; F415-E475 HydrophobicContact CG-CB 4.37Å; F415-E475 WeakPolarHBondContact CZ-OE2 3.5Å; F415-I477 HydrophobicContact CB-CD1 3.83Å; F415-I477 HydrophobicContact CB-CG1 3.84Å; F415-I477 HydrophobicContact CD1-CG1 4.26Å; F415-I477 HydrophobicContact CG-CD1 4.15Å; F415-I477 HydrophobicContact CG-CG1 4.21Å
416	W	96.1	Very high	79.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	133.7	169.3	-70.9	131.1	0	0	0	111.1	R371 W373 A376 L387 C455 V457 R468 P469 T472 H474 E475 W476 I477	R371-W416 PolarHBondContact O-NE1 2.91Å; W373-W416 HydrophobicContact CB-CD2 3.91Å; W373-W416 HydrophobicContact CB-CE3 4.15Å; W373-W416 HydrophobicContact CB-CG 4.39Å; W373-W416 HydrophobicContact CB-CH2 4.27Å; W373-W416 HydrophobicContact CB-CZ2 4Å; W373-W416 HydrophobicContact CB-CZ3 4.33Å; W373-W416 AromaticContact CD1-CD2 3.8Å; W373-W416 AromaticContact CD1-CE3 3.47Å; W373-W416 VanDerWaalsContact CD1-CE3 3.47Å; W373-W416 HydrophobicContact CG-CD2 4.28Å; W373-W416 HydrophobicContact CG-CE3 4.22Å; A376-W416 HydrophobicContact CB-CB 4.48Å; L387-W416 HydrophobicContact CD2-CB 4.43Å; W416-C455 HydrophobicContact CE3-CB 4.3Å; W416-C455 HydrophobicContact CH2-CB 3.85Å; W416-C455 HydrophobicContact CZ3-CB 3.5Å; W416-V457 HydrophobicContact CD2-CG1 3.93Å; W416-V457 HydrophobicContact CE3-CB 4.43Å; W416-V457 HydrophobicContact CE3-CG1 3.35Å; W416-V457 HydrophobicContact CH2-CG1 3.98Å; W416-V457 HydrophobicContact CZ2-CG1 4.49Å; W416-V457 HydrophobicContact CZ3-CG1 3.38Å; W416-R468 HydrophobicContact CH2-CB 3.79Å; W416-R468 HydrophobicContact CZ3-CB 4.07Å; W416-P469 WeakPolarHBondContact CH2-O 3.08Å; W416-T472 VanDerWaalsContact CZ2-O 3.24Å; W416-T472 WeakPolarHBondContact CZ2-O 3.34Å; W416-T472 WeakPolarHBondContact CZ2-OG1 3.43Å; W416-T472 PolarHBondContact NE1-O 3.13Å; W416-H474 HydrophobicContact CD2-CB 4.3Å; W416-H474 AromaticContact CE2-CD2 3.6Å; W416-H474 HydrophobicContact CG-CB 4.2Å; W416-H474 AromaticContact CH2-CD2 3.92Å; W416-H474 AromaticContact CZ2-CD2 3.46Å; W416-H474 VanDerWaalsContact CZ2-CD2 3.46Å; W416-H474 WeakPolarHBondContact CZ2-CD2 3.45Å; W416-H474 AromaticContact NE1-CD2 3.99Å; W416-E475 PolarHBondContact N-O 3.34Å; W416-W476 HydrophobicContact CB-CB 3.82Å; W416-I477 PolarHBondContact O-N 3.3Å; W416-I477 VanDerWaalsContact O-N 3.09Å
417	V	94.1	Very high	78.8	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	167.3	171.9	-65.6	0	0	0	0	108.8	W373 A388 F390 F415 L419 W432 A456 Y458 M465	W373-V417 PolarHBondContact NE1-O 3.48Å; A388-V417 HydrophobicContact CB-CG1 4.4Å; F390-V417 HydrophobicContact CE2-CG1 4.32Å; F415-V417 PolarHBondContact O-N 2.93Å; V417-L419 HydrophobicContact CG2-CB 4.31Å; V417-L419 PolarHBondContact O-N 2.86Å; V417-W432 HydrophobicContact CB-CZ3 4.15Å; V417-W432 HydrophobicContact CG2-CH2 4.49Å; V417-W432 HydrophobicContact CG2-CZ3 4.21Å; V417-A456 HydrophobicContact CG2-CB 4.5Å; V417-A456 WeakPolarHBondContact CG2-O 3.35Å; V417-Y458 HydrophobicContact CG1-CG 4.48Å; V417-M465 HydrophobicContact CG2-SD 4.45Å
418	G	92.3	Very high	78.2	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	-2.5	-171.9	0	0	0	0	0	115.4	A388 N420 W432 S433	A388-G418 PolarHBondContact O-N 2.97Å; G418-N420 PolarHBondContact O-N 2.99Å; G418-N420 PolarHBondContact O-ND2 3.45Å; G418-W432 VanDerWaalsContact C-CE3 3.44Å; G418-S433 WeakPolarHBondContact CA-OG 3.28Å; G418-S433 WeakPolarHBondContact O-CB 3.46Å; G418-S433 PolarHBondContact O-N 2.83Å
419	L	89.5	Confident	78.4	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	123.7	-174.6	-171	71.7	0	0	0	110.6	V417 W430 E431 W432 I438 I443 A456 M465	V417-L419 HydrophobicContact CG2-CB 4.31Å; V417-L419 PolarHBondContact O-N 2.86Å; L419-W430 HydrophobicContact CD1-CB 4.01Å; L419-W430 HydrophobicContact CD1-CE3 4.35Å; L419-W430 HydrophobicContact CD2-CD2 4.48Å; L419-W430 HydrophobicContact CD2-CE3 4.09Å; L419-W430 HydrophobicContact CG-CB 4.49Å; L419-W430 HydrophobicContact CG-CD2 4.35Å; L419-W430 HydrophobicContact CG-CE3 3.66Å; L419-W430 HydrophobicContact CG-CZ3 4.23Å; L419-E431 WeakPolarHBondContact CA-O 3.33Å; L419-W432 HydrophobicContact CB-CD2 4.36Å; L419-W432 HydrophobicContact CB-CE3 3.81Å; L419-W432 HydrophobicContact CB-CH2 3.83Å; L419-W432 HydrophobicContact CB-CZ2 4.4Å; L419-W432 HydrophobicContact CB-CZ3 3.5Å; L419-W432 HydrophobicContact CD1-CD2 4.12Å; L419-W432 HydrophobicContact CD1-CE3 4.41Å; L419-W432 HydrophobicContact CD1-CZ2 4.31Å; L419-W432 VanDerWaalsContact N-CE3 3.26Å; L419-W432 VanDerWaalsContact N-CZ3 3.28Å; L419-I438 HydrophobicContact CD1-CD1 3.77Å; L419-I438 HydrophobicContact CD1-CG1 4.41Å; L419-I443 HydrophobicContact CD2-CD1 3.89Å; L419-I443 HydrophobicContact CD2-CG1 4.17Å; L419-A456 HydrophobicContact CB-CB 3.98Å; L419-A456 HydrophobicContact CD2-CB 4.01Å; L419-A456 HydrophobicContact CG-CB 4.24Å; L419-A456 PolarHBondContact O-N 2.92Å; L419-M465 HydrophobicContact CB-SD 4.35Å; L419-M465 HydrophobicContact CD2-CB 4.43Å; L419-M465 HydrophobicContact CD2-SD 3.45Å; L419-M465 WeakPolarHBondContact CD2-SD 3.42Å; L419-M465 HydrophobicContact CG-SD 4.48Å
420	N	87.6	Confident	79.5	Confident	8 Å²	8	48.4 Å²	48.4	4%	0.043	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	162.1	-177.1	79.6	100	0	0	0	111.5	W373 G418 R422 W430 E431 D454	W373-N420 HydrophobicContact CH2-CB 4.3Å; W373-N420 HydrophobicContact CZ2-CB 3.82Å; G418-N420 PolarHBondContact O-N 2.99Å; G418-N420 PolarHBondContact O-ND2 3.45Å; N420-R422 HydrophobicContact CB-CG 4.14Å; N420-R422 WeakPolarHBondContact OD1-CB 3.32Å; N420-R422 WeakPolarHBondContact OD1-CG 3.49Å; N420-R422 PolarHBondContact OD1-N 3.3Å; N420-W430 VanDerWaalsContact C-CE3 3.42Å; N420-W430 CarbonylContact O-C 3.58Å; N420-W430 WeakPolarHBondContact O-CA 3.36Å; N420-E431 PolarHBondContact N-O 3.17Å; N420-E431 PolarHBondContact ND2-O 3.23Å; N420-E431 PolarHBondContact O-N 3.07Å; N420-D454 CarbonylContact C-O 3.38Å; N420-D454 WeakPolarHBondContact CA-O 3.4Å; N420-D454 WeakPolarHBondContact CB-O 3.46Å
421	K	83.2	Confident	80.7	Confident	13 Å²	13	46.3 Å²	46.3	6%	0.057	25%	0.245	C	C	.	.			trans	-128.6	37.8	178.1	59	166.4	178.3	176.2	0	112.2	A429 W430 R453 D454	K421-A429 VanDerWaalsContact CA-O 3.3Å; K421-A429 WeakPolarHBondContact CA-O 3.31Å; K421-A429 WeakPolarHBondContact CB-O 3.24Å; K421-W430 HydrophobicContact CB-CD2 3.98Å; K421-W430 HydrophobicContact CB-CE3 4.04Å; K421-W430 HydrophobicContact CB-CG 4.34Å; K421-W430 HydrophobicContact CB-CZ3 4.49Å; K421-W430 HydrophobicContact CD-CH2 4.38Å; K421-W430 HydrophobicContact CD-CZ2 3.93Å; K421-W430 HydrophobicContact CG-CD2 4.25Å; K421-W430 HydrophobicContact CG-CE3 4.22Å; K421-W430 HydrophobicContact CG-CH2 4.16Å; K421-W430 HydrophobicContact CG-CZ2 4.15Å; K421-W430 HydrophobicContact CG-CZ3 4.19Å; K421-R453 WeakPolarHBondContact CE-O 3.44Å; K421-D454 VanDerWaalsContact CE-OD1 3.29Å; K421-D454 WeakPolarHBondContact CE-OD1 3.4Å; K421-D454 HydrophobicContact CG-CB 4Å; K421-D454 PolarHBondContact N-O 2.95Å
422	R	78.9	Confident	82	Confident	52 Å²	52	39.4 Å²	39.4	20%	0.196	21%	0.213	C	C	.	.			trans	-89.2	-6.8	-168.8	-59.2	170.1	71.8	-177.9	18.4	113.7	M1 N420 P424 D454	M1-R422 VanDerWaalsContact CB-NH2 3.32Å; N420-R422 HydrophobicContact CB-CG 4.14Å; N420-R422 WeakPolarHBondContact OD1-CB 3.32Å; N420-R422 WeakPolarHBondContact OD1-CG 3.49Å; N420-R422 PolarHBondContact OD1-N 3.3Å; R422-P424 VanDerWaalsContact O-CD 3.31Å; R422-P424 WeakPolarHBondContact O-CD 3.46Å; R422-D454 HydrophobicContact CG-CB 3.58Å
423	D	74.3	Confident	82.8	Confident	34 Å²	34	38 Å²	38	18%	0.182	20%	0.197	C	C	.	.			trans	-65.7	115.8	179.3	-175.5	-1.1	0	0	0	110.1	D425 H426	D423-D425 PolarHBondContact O-N 3Å; D423-D425 WeakPolarHBondContact OD1-CB 3.09Å; D423-D425 PolarHBondContact OD1-N 2.95Å; D423-H426 CarbonylContact O-C 3.57Å; D423-H426 PolarHBondContact O-N 3.04Å; D423-H426 IonicContact OD2-CE1 3.23Å; D423-H426 IonicContact OD2-CG 3.79Å; D423-H426 IonicContact OD2-ND1 3.41Å; D423-H426 PolarHBondContact OD2-ND1 2.84Å
424	P	69.5	Low	82.6	Confident	111 Å²	111	37 Å²	37	72%	0.721	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.7	177.7	29	-35.9	0	0	0	113.4	R422 H426	R422-P424 VanDerWaalsContact O-CD 3.31Å; R422-P424 WeakPolarHBondContact O-CD 3.46Å; P424-H426 VanDerWaalsContact C-N 3.34Å
425	D	66.2	Low	82.1	Confident	133 Å²	133	35.5 Å²	35.5	71%	0.711	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-24.2	-180	-68.3	-31.3	0	0	0	111.7	D423	D423-D425 PolarHBondContact O-N 3Å; D423-D425 WeakPolarHBondContact OD1-CB 3.09Å; D423-D425 PolarHBondContact OD1-N 2.95Å
426	H	68.1	Low	81.7	Confident	75 Å²	75	36.2 Å²	36.2	35%	0.347	22%	0.215	S	C	.	.	S	Bend	trans	-128.3	66.5	-179.2	-53.6	105.3	0	0	0	111.7	H308 D423 P424 G428 A429	H308-H426 AromaticContact CE1-CD2 3.6Å; D423-H426 CarbonylContact O-C 3.57Å; D423-H426 PolarHBondContact O-N 3.04Å; D423-H426 IonicContact OD2-CE1 3.23Å; D423-H426 IonicContact OD2-CG 3.79Å; D423-H426 IonicContact OD2-ND1 3.41Å; D423-H426 PolarHBondContact OD2-ND1 2.84Å; P424-H426 VanDerWaalsContact C-N 3.34Å; H426-G428 PolarHBondContact O-N 3.36Å; H426-G428 VanDerWaalsContact O-N 3.1Å; H426-A429 HydrophobicContact CB-CB 3.98Å; H426-A429 WeakPolarHBondContact O-CB 3.41Å; H426-A429 PolarHBondContact O-N 2.03Å
427	P	67.5	Low	81	Confident	94 Å²	94	37 Å²	37	61%	0.61	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	117.1	-170.3	25.1	-34.5	0	0	0	112
428	G	72	Confident	80.5	Confident	8 Å²	8	37.3 Å²	37.3	8%	0.082	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	1.7	178.1	0	0	0	0	0	115.5	K288 H289 H426	K288-G428 WeakPolarHBondContact CA-O 3.06Å; H289-G428 PolarHBondContact N-O 3.26Å; H426-G428 PolarHBondContact O-N 3.36Å; H426-G428 VanDerWaalsContact O-N 3.1Å
429	A	80.4	Confident	79.7	Confident	15 Å²	15	37.8 Å²	37.8	12%	0.124	23%	0.225	C	C	.	.			trans	-82	135.2	166.1	0	0	0	0	0	109.4	K421 H426	K421-A429 VanDerWaalsContact CA-O 3.3Å; K421-A429 WeakPolarHBondContact CA-O 3.31Å; K421-A429 WeakPolarHBondContact CB-O 3.24Å; H426-A429 HydrophobicContact CB-CB 3.98Å; H426-A429 WeakPolarHBondContact O-CB 3.41Å; H426-A429 PolarHBondContact O-N 2.03Å
430	W	83.2	Confident	78.9	Confident	13 Å²	13	38.3 Å²	38.3	5%	0.049	23%	0.228	C	C	.	.			trans	-86	145.4	176.3	-69.2	92.2	0	0	0	110.4	L419 N420 K421 I438 I443 A456 P467	L419-W430 HydrophobicContact CD1-CB 4.01Å; L419-W430 HydrophobicContact CD1-CE3 4.35Å; L419-W430 HydrophobicContact CD2-CD2 4.48Å; L419-W430 HydrophobicContact CD2-CE3 4.09Å; L419-W430 HydrophobicContact CG-CB 4.49Å; L419-W430 HydrophobicContact CG-CD2 4.35Å; L419-W430 HydrophobicContact CG-CE3 3.66Å; L419-W430 HydrophobicContact CG-CZ3 4.23Å; N420-W430 VanDerWaalsContact C-CE3 3.42Å; N420-W430 CarbonylContact O-C 3.58Å; N420-W430 WeakPolarHBondContact O-CA 3.36Å; K421-W430 HydrophobicContact CB-CD2 3.98Å; K421-W430 HydrophobicContact CB-CE3 4.04Å; K421-W430 HydrophobicContact CB-CG 4.34Å; K421-W430 HydrophobicContact CB-CZ3 4.49Å; K421-W430 HydrophobicContact CD-CH2 4.38Å; K421-W430 HydrophobicContact CD-CZ2 3.93Å; K421-W430 HydrophobicContact CG-CD2 4.25Å; K421-W430 HydrophobicContact CG-CE3 4.22Å; K421-W430 HydrophobicContact CG-CH2 4.16Å; K421-W430 HydrophobicContact CG-CZ2 4.15Å; K421-W430 HydrophobicContact CG-CZ3 4.19Å; W430-I438 VanDerWaalsContact C-CD1 3.4Å; W430-I438 HydrophobicContact CB-CD1 3.72Å; W430-I438 WeakPolarHBondContact O-CD1 3.5Å; W430-I443 HydrophobicContact CB-CD1 4Å; W430-I443 HydrophobicContact CD2-CD1 3.51Å; W430-I443 HydrophobicContact CE3-CD1 4.38Å; W430-I443 HydrophobicContact CG-CD1 3.29Å; W430-I443 HydrophobicContact CZ2-CD1 4.33Å; W430-I443 HydrophobicContact CZ2-CG2 4.39Å; W430-I443 VanDerWaalsContact NE1-CD1 3.29Å; W430-A456 HydrophobicContact CH2-CB 4.23Å; W430-A456 HydrophobicContact CZ3-CB 3.88Å; W430-P467 HydrophobicContact CH2-CB 4.02Å; W430-P467 HydrophobicContact CH2-CG 4.11Å; W430-P467 HydrophobicContact CZ2-CB 4.1Å; W430-P467 HydrophobicContact CZ2-CG 3.83Å
431	E	86.3	Confident	77.8	Confident	77 Å²	77	39.4 Å²	39.4	36%	0.36	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.8	175.2	59.9	171.2	-159.7	0	0	111.3	L419 N420	L419-E431 WeakPolarHBondContact CA-O 3.33Å; N420-E431 PolarHBondContact N-O 3.17Å; N420-E431 PolarHBondContact ND2-O 3.23Å; N420-E431 PolarHBondContact O-N 3.07Å
432	W	88.9	Confident	76.9	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.8	170.2	-70.4	112	0	0	0	110.3	A388 S389 F390 V417 G418 L419 D434 G435 S436 F442 M465	A388-W432 WeakPolarHBondContact O-CZ3 3.47Å; S389-W432 VanDerWaalsContact CA-CE3 3.49Å; F390-W432 HydrophobicContact CB-CZ2 4.25Å; F390-W432 AromaticContact CD2-CH2 3.56Å; F390-W432 HydrophobicContact CD2-CH2 3.56Å; F390-W432 AromaticContact CD2-CZ2 3.92Å; F390-W432 HydrophobicContact CD2-CZ2 3.92Å; F390-W432 HydrophobicContact CE2-CH2 4.12Å; F390-W432 HydrophobicContact CG-CH2 4.45Å; V417-W432 HydrophobicContact CB-CZ3 4.15Å; V417-W432 HydrophobicContact CG2-CH2 4.49Å; V417-W432 HydrophobicContact CG2-CZ3 4.21Å; G418-W432 VanDerWaalsContact C-CE3 3.44Å; L419-W432 HydrophobicContact CB-CD2 4.36Å; L419-W432 HydrophobicContact CB-CE3 3.81Å; L419-W432 HydrophobicContact CB-CH2 3.83Å; L419-W432 HydrophobicContact CB-CZ2 4.4Å; L419-W432 HydrophobicContact CB-CZ3 3.5Å; L419-W432 HydrophobicContact CD1-CD2 4.12Å; L419-W432 HydrophobicContact CD1-CE3 4.41Å; L419-W432 HydrophobicContact CD1-CZ2 4.31Å; L419-W432 VanDerWaalsContact N-CE3 3.26Å; L419-W432 VanDerWaalsContact N-CZ3 3.28Å; W432-D434 WeakPolarHBondContact CB-OD1 3.11Å; W432-D434 PolarHBondContact O-N 2.8Å; W432-D434 VanDerWaalsContact O-N 3.11Å; W432-G435 PolarHBondContact O-N 2.93Å; W432-S436 VanDerWaalsContact CD1-O 3.29Å; W432-F442 HydrophobicContact CZ2-CE2 4.15Å; W432-M465 HydrophobicContact CH2-CE 3.72Å; W432-M465 HydrophobicContact CH2-SD 3.83Å; W432-M465 HydrophobicContact CZ2-CE 3.95Å; W432-M465 HydrophobicContact CZ2-SD 4.28Å
433	S	88.8	Confident	76.1	Confident	9 Å²	9	38.5 Å²	38.5	6%	0.063	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-23	-179.9	61.5	0	0	0	0	114.4	G418	G418-S433 WeakPolarHBondContact CA-OG 3.28Å; G418-S433 WeakPolarHBondContact O-CB 3.46Å; G418-S433 PolarHBondContact O-N 2.83Å
434	D	84.1	Confident	75.3	Confident	34 Å²	34	41.8 Å²	41.8	18%	0.182	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.8	176.3	70.5	-17.4	0	0	0	113.7	Q386 S389 W432 S436	Q386-D434 HydrophobicContact CB-CB 4.06Å; Q386-D434 HydrophobicContact CG-CB 4Å; S389-D434 WeakPolarHBondContact CB-OD1 2.67Å; S389-D434 VanDerWaalsContact CB-OD2 3.31Å; S389-D434 WeakPolarHBondContact CB-OD2 3.25Å; S389-D434 VanDerWaalsContact OG-CG 3.3Å; S389-D434 PolarHBondContact OG-OD2 2.88Å; W432-D434 WeakPolarHBondContact CB-OD1 3.11Å; W432-D434 PolarHBondContact O-N 2.8Å; W432-D434 VanDerWaalsContact O-N 3.11Å; D434-S436 VanDerWaalsContact C-N 3.34Å; D434-S436 WeakPolarHBondContact OD1-CB 3.36Å; D434-S436 PolarHBondContact OD1-N 2.94Å; D434-S436 PolarHBondContact OD1-OG 2.91Å; D434-S436 VanDerWaalsContact OD1-OG 3.06Å; D434-S436 PolarHBondContact OD2-OG 3.16Å
435	G	79.6	Confident	74.5	Confident	65 Å²	65	38.2 Å²	38.2	67%	0.67	22%	0.224	S	C	*	.			trans	81.5	7.1	-175.9	0	0	0	0	0	114.5	W432	W432-G435 PolarHBondContact O-N 2.93Å
436	S	84.4	Confident	74	Confident	14 Å²	14	39.2 Å²	39.2	10%	0.098	22%	0.222	C	C	.	.			trans	-62	145.5	175.3	-69.9	0	0	0	0	111.5	Q391 W432 D434	Q391-S436 PolarHBondContact NE2-OG 2.91Å; W432-S436 VanDerWaalsContact CD1-O 3.29Å; D434-S436 VanDerWaalsContact C-N 3.34Å; D434-S436 WeakPolarHBondContact OD1-CB 3.36Å; D434-S436 PolarHBondContact OD1-N 2.94Å; D434-S436 PolarHBondContact OD1-OG 2.91Å; D434-S436 VanDerWaalsContact OD1-OG 3.06Å; D434-S436 PolarHBondContact OD2-OG 3.16Å
437	P	82.2	Confident	73.3	Confident	18 Å²	18	40 Å²	40	12%	0.117	23%	0.229	C	C	.	.			trans	-73.6	148	178.4	29.3	-33.3	0	0	0	111.8	L281 S284 V439	L281-P437 WeakPolarHBondContact O-CG 3.37Å; S284-P437 WeakPolarHBondContact OG-CA 3.43Å; P437-V439 PolarHBondContact O-N 3.12Å
438	I	82.8	Confident	72.7	Confident	5 Å²	5	43.7 Å²	43.7	3%	0.026	24%	0.238	C	C	.	.			trans	-85.6	104.9	174	-60.1	-178.7	0	0	0	108.9	S284 W286 L419 W430 T440 F442	S284-I438 PolarHBondContact OG-N 3.39Å; W286-I438 PolarHBondContact NE1-O 2.88Å; L419-I438 HydrophobicContact CD1-CD1 3.77Å; L419-I438 HydrophobicContact CD1-CG1 4.41Å; W430-I438 VanDerWaalsContact C-CD1 3.4Å; W430-I438 HydrophobicContact CB-CD1 3.72Å; W430-I438 WeakPolarHBondContact O-CD1 3.5Å; I438-T440 WeakPolarHBondContact CG2-O 3.33Å; I438-F442 HydrophobicContact CG2-CD2 4.47Å
439	V	77	Confident	71.8	Confident	11 Å²	11	52.2 Å²	52.2	7%	0.067	28%	0.276	C	S	.	.			trans	-91.8	-19.7	175.9	-72.6	0	0	0	0	113.6	Y269 L281 Q391 P437	Y269-V439 PolarHBondContact N-O 3.43Å; L281-V439 HydrophobicContact CB-CG1 3.89Å; L281-V439 HydrophobicContact CD2-CB 4.37Å; L281-V439 HydrophobicContact CD2-CG1 3.57Å; L281-V439 HydrophobicContact CG-CG1 4.23Å; Q391-V439 WeakPolarHBondContact O-CG2 3.39Å; P437-V439 PolarHBondContact O-N 3.12Å
440	T	72.2	Confident	70.7	Confident	11 Å²	11	54 Å²	54	7%	0.067	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-95.9	132.1	-171.4	-154.2	0	0	0	0	119.8	G267 E268 I438 F442	G267-T440 VanDerWaalsContact O-CB 3.32Å; G267-T440 WeakPolarHBondContact O-CB 3.23Å; G267-T440 PolarHBondContact O-OG1 3Å; E268-T440 HydrophobicContact CB-CG2 4.18Å; E268-T440 HydrophobicContact CG-CG2 4.18Å; I438-T440 WeakPolarHBondContact CG2-O 3.33Å; T440-F442 VanDerWaalsContact C-N 3.35Å; T440-F442 VanDerWaalsContact CA-CE2 3.45Å; T440-F442 VanDerWaalsContact CB-CE1 3.43Å; T440-F442 HydrophobicContact CG2-CE1 4.16Å; T440-F442 HydrophobicContact CG2-CZ 3.96Å; T440-F442 WeakPolarHBondContact O-CD2 3.41Å; T440-F442 PolarHBondContact O-N 2.73Å
441	S	64.4	Low	69.7	Low	31 Å²	31	58.5 Å²	58.5	22%	0.217	31%	0.308	C	S	.	.			trans	-80	77.7	157	67	0	0	0	0	111.6	G267	G267-S441 PolarHBondContact O-N 3.38Å; G267-S441 VanDerWaalsContact O-N 3.13Å
442	F	63.8	Low	68.8	Low	15 Å²	15	64.1 Å²	64.1	7%	0.066	33%	0.326	C	S	.	.			trans	-90.1	-10.5	-172.2	-56.9	-73	0	0	0	115.4	F390 W432 I438 T440 M465	F390-F442 HydrophobicContact CB-CZ 4.16Å; W432-F442 HydrophobicContact CZ2-CE2 4.15Å; I438-F442 HydrophobicContact CG2-CD2 4.47Å; T440-F442 VanDerWaalsContact C-N 3.35Å; T440-F442 VanDerWaalsContact CA-CE2 3.45Å; T440-F442 VanDerWaalsContact CB-CE1 3.43Å; T440-F442 HydrophobicContact CG2-CE1 4.16Å; T440-F442 HydrophobicContact CG2-CZ 3.96Å; T440-F442 WeakPolarHBondContact O-CD2 3.41Å; T440-F442 PolarHBondContact O-N 2.73Å; F442-M465 HydrophobicContact CB-CE 3.83Å; F442-M465 HydrophobicContact CB-CG 4.3Å; F442-M465 HydrophobicContact CB-SD 3.85Å; F442-M465 HydrophobicContact CD1-CE 3.59Å; F442-M465 HydrophobicContact CD2-CE 3.99Å; F442-M465 HydrophobicContact CD2-SD 4.47Å; F442-M465 HydrophobicContact CE1-CE 3.96Å; F442-M465 HydrophobicContact CE2-CE 4.33Å; F442-M465 HydrophobicContact CG-CE 3.57Å; F442-M465 HydrophobicContact CG-SD 4.16Å; F442-M465 HydrophobicContact CZ-CE 4.3Å
443	I	61.8	Low	68.1	Low	32 Å²	32	67.3 Å²	67.3	16%	0.164	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-111.9	111.6	-159	-42.6	-176.9	0	0	0	110.2	L419 W430 D445 P467	L419-I443 HydrophobicContact CD2-CD1 3.89Å; L419-I443 HydrophobicContact CD2-CG1 4.17Å; W430-I443 HydrophobicContact CB-CD1 4Å; W430-I443 HydrophobicContact CD2-CD1 3.51Å; W430-I443 HydrophobicContact CE3-CD1 4.38Å; W430-I443 HydrophobicContact CG-CD1 3.29Å; W430-I443 HydrophobicContact CZ2-CD1 4.33Å; W430-I443 HydrophobicContact CZ2-CG2 4.39Å; W430-I443 VanDerWaalsContact NE1-CD1 3.29Å; I443-D445 HydrophobicContact CG2-CB 3.76Å; I443-D445 PolarHBondContact O-N 3.38Å; I443-P467 HydrophobicContact CG2-CG 4.19Å
444	E	57.3	Low	67.8	Low	103 Å²	103	69.1 Å²	69.1	48%	0.481	35%	0.347	S	S	.	.			trans	-75.2	65.7	160.7	-72	-165	-157.6	0	0	109.2	K446 N464	E444-K446 PolarHBondContact O-N 2.98Å; E444-K446 IonicContact OE2-NZ 2.69Å; E444-K446 PolarHBondContact OE2-NZ 2.84Å; E444-N464 PolarHBondContact OE1-ND2 3.17Å
445	D	53.7	Low	68.1	Low	35 Å²	35	67.5 Å²	67.5	19%	0.187	34%	0.338	C	S	.	.			trans	-78.6	69.6	174.1	-154.1	-2.2	0	0	0	109.1	H289 I443	H289-D445 IonicContact CE1-OD2 3.44Å; H289-D445 PolarHBondContact CE1-OD2 2.77Å; H289-D445 IonicContact CG-OD2 2.7Å; H289-D445 IonicContact ND1-OD2 2.78Å; H289-D445 PolarHBondContact ND1-OD2 2.83Å; I443-D445 HydrophobicContact CG2-CB 3.76Å; I443-D445 PolarHBondContact O-N 3.38Å
446	K	54.7	Low	68.5	Low	155 Å²	155	64.5 Å²	64.5	67%	0.674	31%	0.307	S	S	*	.			trans	-80	-4.9	176.5	-69.8	178	179.1	144.8	0	112.6	E444	E444-K446 PolarHBondContact O-N 2.98Å; E444-K446 IonicContact OE2-NZ 2.69Å; E444-K446 PolarHBondContact OE2-NZ 2.84Å
447	N	53.3	Low	68.8	Low	92 Å²	92	63.8 Å²	63.8	49%	0.492	30%	0.302	S	S	.	.			trans	-109.1	88.6	-172.7	-69.9	-19.3	0	0	0	110.2	E449	N447-E449 PolarHBondContact O-N 2.86Å
448	E	55	Low	69.2	Low	170 Å²	170	63 Å²	63	79%	0.794	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-0.6	-179.4	-66	-175.6	156.2	0	0	114.8
449	E	53.9	Low	69.4	Low	188 Å²	188	62.9 Å²	62.9	88%	0.879	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	-5.3	-163.3	-66.2	-170.9	161.8	0	0	117.2	N447	N447-E449 PolarHBondContact O-N 2.86Å
450	D	56.9	Low	69.5	Low	51 Å²	51	63.1 Å²	63.1	27%	0.273	30%	0.298	S	S	.	.			trans	-114.3	84.6	-175.5	-159.3	-2.6	0	0	0	112.9	R452 R453	D450-R452 PolarHBondContact O-N 3.24Å; D450-R452 VanDerWaalsContact O-N 3.07Å; D450-R452 WeakPolarHBondContact OD1-CB 3.36Å; D450-R452 PolarHBondContact OD1-N 3.21Å; D450-R453 HydrophobicContact CB-CG 4.32Å; D450-R453 PolarHBondContact O-N 3.03Å; D450-R453 IonicContact OD2-CZ 3.55Å; D450-R453 IonicContact OD2-NE 3.52Å; D450-R453 PolarHBondContact OD2-NE 3.09Å; D450-R453 IonicContact OD2-NH2 3.65Å; D450-R453 PolarHBondContact OD2-NH2 3.04Å
451	D	62.6	Low	69.7	Low	108 Å²	108	67 Å²	67	58%	0.578	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	2.9	172.8	-72.8	-28.8	0	0	0	113.1	K288	K288-D451 IonicContact NZ-OD1 2.71Å; K288-D451 PolarHBondContact NZ-OD1 3.05Å
452	R	66.8	Low	70.2	Confident	196 Å²	196	69 Å²	69	74%	0.74	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-8.8	177.3	-56	-178.6	69.5	-177.5	0.1	113.6	D450 D454	D450-R452 PolarHBondContact O-N 3.24Å; D450-R452 VanDerWaalsContact O-N 3.07Å; D450-R452 WeakPolarHBondContact OD1-CB 3.36Å; D450-R452 PolarHBondContact OD1-N 3.21Å; R452-D454 PolarHBondContact O-N 2.73Å
453	R	74.9	Confident	70.8	Confident	71 Å²	71	69.2 Å²	69.2	27%	0.268	33%	0.33	S	S	.	.			trans	-96.9	69.5	-175.8	-60.2	-171.5	-167.6	-176.4	7.4	111.4	K421 D450 P467 R468 P469	K421-R453 WeakPolarHBondContact CE-O 3.44Å; D450-R453 HydrophobicContact CB-CG 4.32Å; D450-R453 PolarHBondContact O-N 3.03Å; D450-R453 IonicContact OD2-CZ 3.55Å; D450-R453 IonicContact OD2-NE 3.52Å; D450-R453 PolarHBondContact OD2-NE 3.09Å; D450-R453 IonicContact OD2-NH2 3.65Å; D450-R453 PolarHBondContact OD2-NH2 3.04Å; R453-P467 HydrophobicContact CB-CB 3.85Å; R453-R468 CarbonylContact C-O 3.46Å; R453-R468 WeakPolarHBondContact CA-O 3.39Å; R453-P469 HydrophobicContact CG-CG 4.13Å
454	D	83.4	Confident	71.5	Confident	47 Å²	47	70.2 Å²	70.2	25%	0.251	34%	0.336	S	S	.	.			trans	-90.4	-0.3	-169.8	-55.8	-32.3	0	0	0	114.7	N420 K421 R422 R452	N420-D454 CarbonylContact C-O 3.38Å; N420-D454 WeakPolarHBondContact CA-O 3.4Å; N420-D454 WeakPolarHBondContact CB-O 3.46Å; K421-D454 VanDerWaalsContact CE-OD1 3.29Å; K421-D454 WeakPolarHBondContact CE-OD1 3.4Å; K421-D454 HydrophobicContact CG-CB 4Å; K421-D454 PolarHBondContact N-O 2.95Å; R422-D454 HydrophobicContact CG-CB 3.58Å; R452-D454 PolarHBondContact O-N 2.73Å
455	C	88.6	Confident	72.8	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	151.9	-179.8	-68	0	0	0	0	110.4	W373 W416 P467 R468 C470	W373-C455 HydrophobicContact CB-CB 4.05Å; W373-C455 VanDerWaalsContact CB-SG 3.59Å; W373-C455 HydrophobicContact CD2-CB 4.49Å; W373-C455 HydrophobicContact CG-CB 3.82Å; W416-C455 HydrophobicContact CE3-CB 4.3Å; W416-C455 HydrophobicContact CH2-CB 3.85Å; W416-C455 HydrophobicContact CZ3-CB 3.5Å; C455-P467 CarbonylContact O-C 3.13Å; C455-P467 WeakPolarHBondContact O-CA 3.28Å; C455-R468 PolarHBondContact N-O 3.08Å; C455-R468 PolarHBondContact O-N 2.75Å; C455-C470 HydrophobicContact CB-CB 3.97Å; C455-C470 WeakPolarHBondContact CB-SG 3.49Å; C455-C470 PolarHBondContact N-SG 3.05Å; C455-C470 VanDerWaalsContact N-SG 3.45Å; C455-C470 WeakPolarHBondContact SG-CB 3.48Å; C455-C470 CovalentContact SG-SG 2.03Å; C455-C470 PolarHBondContact SG-SG 3.1Å
456	A	89.1	Confident	74.2	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.3	179	0	0	0	0	0	112.5	V417 L419 W430 M465 M466	V417-A456 HydrophobicContact CG2-CB 4.5Å; V417-A456 WeakPolarHBondContact CG2-O 3.35Å; L419-A456 HydrophobicContact CB-CB 3.98Å; L419-A456 HydrophobicContact CD2-CB 4.01Å; L419-A456 HydrophobicContact CG-CB 4.24Å; L419-A456 PolarHBondContact O-N 2.92Å; W430-A456 HydrophobicContact CH2-CB 4.23Å; W430-A456 HydrophobicContact CZ3-CB 3.88Å; A456-M465 HydrophobicContact CB-CB 4.38Å; A456-M466 WeakPolarHBondContact CA-O 3.36Å
457	V	91.1	Very high	75.6	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	142.3	166.4	-62.6	0	0	0	0	110.5	W414 F415 W416 M465 M466 R468 H474	W414-V457 HydrophobicContact CB-CB 4.01Å; W414-V457 HydrophobicContact CB-CG1 4.32Å; W414-V457 HydrophobicContact CB-CG2 4Å; W414-V457 HydrophobicContact CG-CG2 4.08Å; F415-V457 CarbonylContact O-C 3.56Å; F415-V457 VanDerWaalsContact O-CA 3.31Å; F415-V457 WeakPolarHBondContact O-CA 3.21Å; W416-V457 HydrophobicContact CD2-CG1 3.93Å; W416-V457 HydrophobicContact CE3-CB 4.43Å; W416-V457 HydrophobicContact CE3-CG1 3.35Å; W416-V457 HydrophobicContact CH2-CG1 3.98Å; W416-V457 HydrophobicContact CZ2-CG1 4.49Å; W416-V457 HydrophobicContact CZ3-CG1 3.38Å; V457-M465 CarbonylContact O-C 3.38Å; V457-M465 WeakPolarHBondContact O-CA 3.46Å; V457-M466 HydrophobicContact CG2-CB 4.09Å; V457-M466 PolarHBondContact N-O 3.06Å; V457-M466 PolarHBondContact O-N 2.94Å; V457-R468 HydrophobicContact CB-CG 4.42Å; V457-R468 HydrophobicContact CG1-CB 4.29Å; V457-R468 HydrophobicContact CG1-CG 3.94Å; V457-R468 HydrophobicContact CG2-CG 3.63Å; V457-H474 VanDerWaalsContact CG1-CD2 3.48Å; V457-H474 WeakPolarHBondContact CG1-CD2 3.15Å
458	Y	90.6	Very high	77.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.6	169	-175.7	-105.2	0	0	0	110.1	Q396 V399 K400 L403 W414 F415 V417 D463 M465	Q396-Y458 HydrophobicContact CG-CE2 4.17Å; V399-Y458 HydrophobicContact CG1-CD1 4.32Å; V399-Y458 HydrophobicContact CG1-CE1 3.99Å; K400-Y458 WeakPolarHBondContact CB-OH 3.42Å; L403-Y458 HydrophobicContact CD1-CD1 3.76Å; L403-Y458 HydrophobicContact CD1-CE1 3.66Å; W414-Y458 WeakPolarHBondContact CA-O 3.47Å; F415-Y458 PolarHBondContact N-O 3.1Å; F415-Y458 PolarHBondContact O-N 3.2Å; V417-Y458 HydrophobicContact CG1-CG 4.48Å; Y458-D463 PolarHBondContact OH-OD1 2.92Å; Y458-M465 HydrophobicContact CD2-CG 4.18Å
459	S	85.6	Confident	78.7	Confident	4 Å²	4	52 Å²	52	3%	0.028	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.2	-177.4	164.6	0	0	0	0	110.6	L461 T462 D463 N464	S459-L461 VanDerWaalsContact C-N 3.29Å; S459-L461 PolarHBondContact O-N 3.42Å; S459-T462 WeakPolarHBondContact CB-OG1 3.24Å; S459-T462 PolarHBondContact OG-N 3.36Å; S459-T462 PolarHBondContact OG-OG1 2.76Å; S459-D463 PolarHBondContact O-N 2.86Å; S459-D463 VanDerWaalsContact O-N 3.13Å; S459-N464 PolarHBondContact N-O 3.04Å
460	D	80.4	Confident	80.2	Confident	16 Å²	16	43.5 Å²	43.5	9%	0.086	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-27.9	-179.4	67.1	-25.5	0	0	0	113.3	L403 R413 F415	L403-D460 HydrophobicContact CB-CB 4.02Å; L403-D460 HydrophobicContact CD1-CB 4.02Å; R413-D460 PolarHBondContact N-OD1 3.21Å; R413-D460 PolarHBondContact O-N 3.02Å; F415-D460 HydrophobicContact CE2-CB 4.32Å
461	L	76.6	Confident	81.4	Confident	92 Å²	92	44.9 Å²	44.9	48%	0.482	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-45.8	178.8	-65.4	-177.7	0	0	0	113.6	G409 S459	G409-L461 VanDerWaalsContact O-CD2 3.31Å; G409-L461 WeakPolarHBondContact O-CD2 3.45Å; S459-L461 VanDerWaalsContact C-N 3.29Å; S459-L461 PolarHBondContact O-N 3.42Å
462	T	74.8	Confident	82.4	Confident	74 Å²	74	41.7 Å²	41.7	45%	0.454	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-13.2	-168.6	54.6	0	0	0	0	113.1	S459 N464	S459-T462 WeakPolarHBondContact CB-OG1 3.24Å; S459-T462 PolarHBondContact OG-N 3.36Å; S459-T462 PolarHBondContact OG-OG1 2.76Å; T462-N464 PolarHBondContact O-N 3.5Å; T462-N464 VanDerWaalsContact O-N 3.14Å
463	D	76	Confident	83.4	Confident	18 Å²	18	38.4 Å²	38.4	10%	0.096	20%	0.196	C	C	.	.			trans	55.4	26.6	-175.6	-167.7	20.5	0	0	0	112.9	Q396 K400 Y458 S459	Q396-D463 PolarHBondContact NE2-O 2.83Å; Q396-D463 PolarHBondContact NE2-OD1 3.38Å; K400-D463 HydrophobicContact CD-CB 4.13Å; K400-D463 WeakPolarHBondContact CD-OD2 3.41Å; K400-D463 WeakPolarHBondContact CE-OD2 2.86Å; K400-D463 IonicContact NZ-OD2 2.79Å; K400-D463 PolarHBondContact NZ-OD2 3.38Å; Y458-D463 PolarHBondContact OH-OD1 2.92Å; S459-D463 PolarHBondContact O-N 2.86Å; S459-D463 VanDerWaalsContact O-N 3.13Å
464	N	76.9	Confident	84.2	Confident	54 Å²	54	36.1 Å²	36.1	29%	0.289	19%	0.188	S	C	.	.			trans	-122.8	151.6	-177.2	-75.5	-6.1	0	0	0	110	E444 S459 T462	E444-N464 PolarHBondContact OE1-ND2 3.17Å; S459-N464 PolarHBondContact N-O 3.04Å; T462-N464 PolarHBondContact O-N 3.5Å; T462-N464 VanDerWaalsContact O-N 3.14Å
465	M	84.2	Confident	84.7	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.6	172.1	-61.7	-179	-151.8	0	0	109.5	F390 V417 L419 W432 F442 A456 V457 Y458	F390-M465 HydrophobicContact CD2-CE 3.41Å; F390-M465 VanDerWaalsContact CD2-CE 3.41Å; F390-M465 HydrophobicContact CE2-CE 3.74Å; V417-M465 HydrophobicContact CG2-SD 4.45Å; L419-M465 HydrophobicContact CB-SD 4.35Å; L419-M465 HydrophobicContact CD2-CB 4.43Å; L419-M465 HydrophobicContact CD2-SD 3.45Å; L419-M465 WeakPolarHBondContact CD2-SD 3.42Å; L419-M465 HydrophobicContact CG-SD 4.48Å; W432-M465 HydrophobicContact CH2-CE 3.72Å; W432-M465 HydrophobicContact CH2-SD 3.83Å; W432-M465 HydrophobicContact CZ2-CE 3.95Å; W432-M465 HydrophobicContact CZ2-SD 4.28Å; F442-M465 HydrophobicContact CB-CE 3.83Å; F442-M465 HydrophobicContact CB-CG 4.3Å; F442-M465 HydrophobicContact CB-SD 3.85Å; F442-M465 HydrophobicContact CD1-CE 3.59Å; F442-M465 HydrophobicContact CD2-CE 3.99Å; F442-M465 HydrophobicContact CD2-SD 4.47Å; F442-M465 HydrophobicContact CE1-CE 3.96Å; F442-M465 HydrophobicContact CE2-CE 4.33Å; F442-M465 HydrophobicContact CG-CE 3.57Å; F442-M465 HydrophobicContact CG-SD 4.16Å; F442-M465 HydrophobicContact CZ-CE 4.3Å; A456-M465 HydrophobicContact CB-CB 4.38Å; V457-M465 CarbonylContact O-C 3.38Å; V457-M465 WeakPolarHBondContact O-CA 3.46Å; Y458-M465 HydrophobicContact CD2-CG 4.18Å
466	M	82.4	Confident	85.1	Confident	55 Å²	55	34.1 Å²	34.1	27%	0.271	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.4	-178.7	-71.8	-176.2	-71.4	0	0	110.7	A456 V457 R468	A456-M466 WeakPolarHBondContact CA-O 3.36Å; V457-M466 HydrophobicContact CG2-CB 4.09Å; V457-M466 PolarHBondContact N-O 3.06Å; V457-M466 PolarHBondContact O-N 2.94Å; M466-R468 PolarHBondContact O-N 3.18Å
467	P	85	Confident	85.4	Confident	18 Å²	18	34 Å²	34	12%	0.117	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	132.1	173.3	-21.4	32.7	0	0	0	111.7	W430 I443 R453 C455	W430-P467 HydrophobicContact CH2-CB 4.02Å; W430-P467 HydrophobicContact CH2-CG 4.11Å; W430-P467 HydrophobicContact CZ2-CB 4.1Å; W430-P467 HydrophobicContact CZ2-CG 3.83Å; I443-P467 HydrophobicContact CG2-CG 4.19Å; R453-P467 HydrophobicContact CB-CB 3.85Å; C455-P467 CarbonylContact O-C 3.13Å; C455-P467 WeakPolarHBondContact O-CA 3.28Å
468	R	85.8	Confident	85.6	Confident	64 Å²	64	34 Å²	34	24%	0.242	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.3	176.5	-70	-63.1	-175.2	-179.7	0.7	110.7	W416 R453 C455 V457 M466 C470	W416-R468 HydrophobicContact CH2-CB 3.79Å; W416-R468 HydrophobicContact CZ3-CB 4.07Å; R453-R468 CarbonylContact C-O 3.46Å; R453-R468 WeakPolarHBondContact CA-O 3.39Å; C455-R468 PolarHBondContact N-O 3.08Å; C455-R468 PolarHBondContact O-N 2.75Å; V457-R468 HydrophobicContact CB-CG 4.42Å; V457-R468 HydrophobicContact CG1-CB 4.29Å; V457-R468 HydrophobicContact CG1-CG 3.94Å; V457-R468 HydrophobicContact CG2-CG 3.63Å; M466-R468 PolarHBondContact O-N 3.18Å; R468-C470 PolarHBondContact O-N 2.81Å
469	P	86.4	Confident	85.8	Confident	34 Å²	34	34.2 Å²	34.2	22%	0.221	18%	0.178	C	C	.	.			trans	-58.4	135.1	168.1	-23.4	36.6	0	0	0	110.6	W416 R453 D471 T472	W416-P469 WeakPolarHBondContact CH2-O 3.08Å; R453-P469 HydrophobicContact CG-CG 4.13Å; P469-D471 WeakPolarHBondContact CB-OD1 3.34Å; P469-D471 PolarHBondContact O-N 3.13Å; P469-T472 HydrophobicContact CB-CG2 4.2Å; P469-T472 HydrophobicContact CG-CG2 4.45Å; P469-T472 PolarHBondContact O-N 2.81Å; P469-T472 PolarHBondContact O-OG1 2.95Å
470	C	86.1	Confident	86.1	Confident	9 Å²	9	34.1 Å²	34.1	6%	0.061	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16.8	-173.1	-60.9	0	0	0	0	114.4	S372 W373 C455 R468	S372-C470 WeakPolarHBondContact CB-O 3.43Å; W373-C470 HydrophobicContact CB-CB 4.31Å; W373-C470 PolarHBondContact N-O 3.32Å; C455-C470 HydrophobicContact CB-CB 3.97Å; C455-C470 WeakPolarHBondContact CB-SG 3.49Å; C455-C470 PolarHBondContact N-SG 3.05Å; C455-C470 VanDerWaalsContact N-SG 3.45Å; C455-C470 WeakPolarHBondContact SG-CB 3.48Å; C455-C470 CovalentContact SG-SG 2.03Å; C455-C470 PolarHBondContact SG-SG 3.1Å; R468-C470 PolarHBondContact O-N 2.81Å
471	D	81.1	Confident	86.5	Confident	80 Å²	80	34.4 Å²	34.4	43%	0.428	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-16.9	-179.8	63.3	-30.1	0	0	0	113	E20 P469	E20-D471 WeakPolarHBondContact OE2-CB 3.34Å; P469-D471 WeakPolarHBondContact CB-OD1 3.34Å; P469-D471 PolarHBondContact O-N 3.13Å
472	T	84.9	Confident	87	Confident	41 Å²	41	31.5 Å²	31.5	25%	0.252	16%	0.162	S	C	.	.	S	Bend	trans	-66	143.8	177.5	62.2	0	0	0	0	110.9	S372 W416 P469 H474	S372-T472 WeakPolarHBondContact CA-O 3.42Å; W416-T472 VanDerWaalsContact CZ2-O 3.24Å; W416-T472 WeakPolarHBondContact CZ2-O 3.34Å; W416-T472 WeakPolarHBondContact CZ2-OG1 3.43Å; W416-T472 PolarHBondContact NE1-O 3.13Å; P469-T472 HydrophobicContact CB-CG2 4.2Å; P469-T472 HydrophobicContact CG-CG2 4.45Å; P469-T472 PolarHBondContact O-N 2.81Å; P469-T472 PolarHBondContact O-OG1 2.95Å; T472-H474 WeakPolarHBondContact CB-NE2 3.34Å; T472-H474 PolarHBondContact OG1-CD2 2.73Å; T472-H474 PolarHBondContact OG1-NE2 3.33Å
473	K	87.7	Confident	87.2	Confident	127 Å²	127	30.4 Å²	30.4	55%	0.552	17%	0.166	S	C	*	.			trans	-93.4	116.8	-178.5	-62.1	-174.1	179	-177.7	0	110	K370 R371	K370-K473 HydrophobicContact CB-CB 3.64Å; K370-K473 WeakPolarHBondContact CD-O 3.47Å; R371-K473 WeakPolarHBondContact O-CA 2.99Å
474	H	91.9	Very high	87.7	Confident	23 Å²	23	31.5 Å²	31.5	11%	0.106	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-130.3	168.8	178	-62.6	-53.6	0	0	0	111.7	R371 W414 W416 V457 T472	R371-H474 PolarHBondContact N-O 3.42Å; R371-H474 PolarHBondContact O-N 3.24Å; W414-H474 AromaticContact CE3-CE1 3.77Å; W416-H474 HydrophobicContact CD2-CB 4.3Å; W416-H474 AromaticContact CE2-CD2 3.6Å; W416-H474 HydrophobicContact CG-CB 4.2Å; W416-H474 AromaticContact CH2-CD2 3.92Å; W416-H474 AromaticContact CZ2-CD2 3.46Å; W416-H474 VanDerWaalsContact CZ2-CD2 3.46Å; W416-H474 WeakPolarHBondContact CZ2-CD2 3.45Å; W416-H474 AromaticContact NE1-CD2 3.99Å; V457-H474 VanDerWaalsContact CG1-CD2 3.48Å; V457-H474 WeakPolarHBondContact CG1-CD2 3.15Å; T472-H474 WeakPolarHBondContact CB-NE2 3.34Å; T472-H474 PolarHBondContact OG1-CD2 2.73Å; T472-H474 PolarHBondContact OG1-NE2 3.33Å
475	E	94.3	Very high	87.9	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.019	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	167	165.2	-62.6	175.5	131.5	0	0	108.5	F362 H363 D364 R413 F415 W416	F362-E475 WeakPolarHBondContact O-CB 3.45Å; H363-E475 VanDerWaalsContact CA-OE1 3.32Å; H363-E475 WeakPolarHBondContact CA-OE1 3.06Å; H363-E475 VanDerWaalsContact CB-OE1 3.28Å; H363-E475 WeakPolarHBondContact CB-OE1 3.08Å; D364-E475 PolarHBondContact N-OE1 2.9Å; R413-E475 WeakPolarHBondContact CD-OE2 3.39Å; R413-E475 IonicContact NH1-OE1 3.72Å; R413-E475 PolarHBondContact NH1-OE1 3.08Å; F415-E475 CarbonylContact C-O 3.58Å; F415-E475 VanDerWaalsContact CA-O 3.28Å; F415-E475 WeakPolarHBondContact CA-O 3.35Å; F415-E475 HydrophobicContact CD1-CB 3.45Å; F415-E475 VanDerWaalsContact CD1-CB 3.45Å; F415-E475 HydrophobicContact CE1-CB 3.6Å; F415-E475 HydrophobicContact CE1-CG 4.31Å; F415-E475 VanDerWaalsContact CE1-OE2 3.25Å; F415-E475 WeakPolarHBondContact CE1-OE2 3.49Å; F415-E475 HydrophobicContact CG-CB 4.37Å; F415-E475 WeakPolarHBondContact CZ-OE2 3.5Å; W416-E475 PolarHBondContact N-O 3.34Å
476	W	95.9	Very high	88.1	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	160.9	-176.7	63.1	96.8	0	0	0	113.4	F362 V367 R371 A376 F379 L387 W416	F362-W476 HydrophobicContact CB-CD2 3.81Å; F362-W476 HydrophobicContact CB-CE3 4.49Å; F362-W476 HydrophobicContact CB-CG 4.09Å; F362-W476 HydrophobicContact CB-CH2 4.28Å; F362-W476 HydrophobicContact CB-CZ2 3.63Å; F362-W476 HydrophobicContact CD1-CZ2 4.27Å; F362-W476 AromaticContact CD2-CD1 3.77Å; F362-W476 AromaticContact CD2-NE1 3.43Å; F362-W476 AromaticContact CG-CE2 3.78Å; F362-W476 HydrophobicContact CG-CZ2 4.02Å; F362-W476 AromaticContact CG-NE1 3.45Å; F362-W476 PolarHBondContact N-O 2.84Å; F362-W476 PolarHBondContact O-N 2.99Å; V367-W476 HydrophobicContact CB-CH2 3.84Å; V367-W476 HydrophobicContact CB-CZ2 4.49Å; V367-W476 HydrophobicContact CG1-CH2 3.69Å; V367-W476 HydrophobicContact CG1-CZ2 3.89Å; V367-W476 HydrophobicContact CG2-CH2 3.83Å; V367-W476 HydrophobicContact CG2-CZ3 4.17Å; R371-W476 HydrophobicContact CB-CE3 4.08Å; R371-W476 HydrophobicContact CB-CH2 4.46Å; R371-W476 HydrophobicContact CB-CZ3 3.86Å; R371-W476 HydrophobicContact CG-CH2 4.03Å; R371-W476 HydrophobicContact CG-CZ3 3.88Å; A376-W476 HydrophobicContact CB-CB 3.73Å; A376-W476 HydrophobicContact CB-CD2 3.95Å; A376-W476 HydrophobicContact CB-CE3 4.35Å; A376-W476 HydrophobicContact CB-CG 3.66Å; F379-W476 HydrophobicContact CD1-CZ2 4.11Å; F379-W476 AromaticContact CD1-NE1 3.42Å; F379-W476 HydrophobicContact CD2-CZ2 4.26Å; F379-W476 HydrophobicContact CE1-CZ2 4.13Å; F379-W476 AromaticContact CE1-NE1 3.86Å; F379-W476 HydrophobicContact CE2-CZ2 4.25Å; F379-W476 HydrophobicContact CG-CZ2 4.17Å; F379-W476 HydrophobicContact CZ-CZ2 4.19Å; L387-W476 HydrophobicContact CD2-CB 4.12Å; W416-W476 HydrophobicContact CB-CB 3.82Å
477	I	96.1	Very high	88.2	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.6	179.1	-52.3	172.9	0	0	0	108.6	F359 K360 V361 A388 V399 L403 F415 W416	F359-I477 HydrophobicContact CD1-CG2 4.42Å; K360-I477 WeakPolarHBondContact O-CA 3.27Å; V361-I477 HydrophobicContact CG1-CG1 4.45Å; V361-I477 HydrophobicContact CG2-CG1 4.3Å; V361-I477 HydrophobicContact CG2-CG2 4.47Å; A388-I477 HydrophobicContact CB-CB 3.89Å; A388-I477 HydrophobicContact CB-CG2 3.75Å; A388-I477 PolarHBondContact N-O 3.19Å; V399-I477 HydrophobicContact CG1-CD1 3.68Å; L403-I477 HydrophobicContact CD1-CD1 4.25Å; L403-I477 HydrophobicContact CD2-CD1 4.42Å; F415-I477 HydrophobicContact CB-CD1 3.83Å; F415-I477 HydrophobicContact CB-CG1 3.84Å; F415-I477 HydrophobicContact CD1-CG1 4.26Å; F415-I477 HydrophobicContact CG-CD1 4.15Å; F415-I477 HydrophobicContact CG-CG1 4.21Å; W416-I477 PolarHBondContact O-N 3.3Å; W416-I477 VanDerWaalsContact O-N 3.09Å
478	C	95.4	Very high	88	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	151.7	171.7	-55.2	0	0	0	0	111.1	W349 F359 K360 F362 C380 A385 Q386	W349-C478 HydrophobicContact CH2-CB 3.61Å; W349-C478 HydrophobicContact CZ3-CB 4.05Å; F359-C478 WeakPolarHBondContact CA-O 3.04Å; K360-C478 PolarHBondContact N-O 3.19Å; K360-C478 PolarHBondContact O-N 2.94Å; F362-C478 HydrophobicContact CE2-CB 4.06Å; F362-C478 WeakPolarHBondContact CE2-SG 3.45Å; C380-C478 VanDerWaalsContact CA-SG 3.55Å; C380-C478 HydrophobicContact CB-CB 3.87Å; C380-C478 WeakPolarHBondContact CB-SG 3.38Å; C380-C478 VanDerWaalsContact SG-CA 3.59Å; C380-C478 WeakPolarHBondContact SG-CB 3.37Å; C380-C478 CovalentContact SG-SG 2.04Å; C380-C478 PolarHBondContact SG-SG 2.83Å; A385-C478 HydrophobicContact CB-CB 4.24Å; Q386-C478 CarbonylContact O-C 3.44Å; Q386-C478 VanDerWaalsContact O-CA 3.23Å; Q386-C478 WeakPolarHBondContact O-CA 3.48Å
479	K	94.3	Very high	87.7	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.017	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	138.7	176.4	174.7	-178.1	179.1	173	0	109.9	H357 C358 F359 A385 Q386 A388 S389 E395	H357-K479 HydrophobicContact CB-CD 4.34Å; H357-K479 HydrophobicContact CB-CG 3.91Å; H357-K479 WeakPolarHBondContact CD2-CE 3.22Å; H357-K479 WeakPolarHBondContact ND1-CE 3.26Å; C358-K479 CarbonylContact O-C 3.51Å; C358-K479 WeakPolarHBondContact O-CA 3.48Å; F359-K479 HydrophobicContact CD1-CB 4.1Å; F359-K479 HydrophobicContact CD1-CG 4.39Å; F359-K479 HydrophobicContact CE1-CB 3.97Å; F359-K479 HydrophobicContact CE1-CD 3.98Å; F359-K479 HydrophobicContact CE1-CG 3.89Å; F359-K479 HydrophobicContact CZ-CD 4.24Å; F359-K479 HydrophobicContact CZ-CG 4.25Å; A385-K479 WeakPolarHBondContact CA-O 3.07Å; A385-K479 VanDerWaalsContact CB-O 3.29Å; A385-K479 WeakPolarHBondContact CB-O 3.08Å; Q386-K479 PolarHBondContact N-O 3.22Å; Q386-K479 PolarHBondContact O-N 3.04Å; A388-K479 HydrophobicContact CB-CB 4.44Å; S389-K479 WeakPolarHBondContact O-CD 3.15Å; S389-K479 PolarHBondContact O-NZ 3.4Å; S389-K479 WeakPolarHBondContact OG-CD 3.41Å; S389-K479 PolarHBondContact OG-NZ 3.14Å; E395-K479 IonicContact OE1-NZ 3.59Å; E395-K479 IonicContact OE2-NZ 2.69Å; E395-K479 PolarHBondContact OE2-NZ 2.97Å
480	L	92	Very high	86.9	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.6	179.5	-178.5	71.5	0	0	0	109.8	P346 W349 H357 C358 G384 A385 D484 L486	P346-L480 HydrophobicContact CG-CD2 3.7Å; W349-L480 HydrophobicContact CE3-CB 3.94Å; W349-L480 HydrophobicContact CH2-CB 4.02Å; W349-L480 HydrophobicContact CZ3-CB 3.59Å; H357-L480 CarbonylContact C-O 3.57Å; H357-L480 WeakPolarHBondContact CA-O 3.46Å; C358-L480 PolarHBondContact N-O 3.03Å; C358-L480 PolarHBondContact O-N 3.28Å; G384-L480 WeakPolarHBondContact O-CD1 3.4Å; A385-L480 HydrophobicContact CB-CB 4.27Å; A385-L480 HydrophobicContact CB-CD1 4.21Å; L480-D484 HydrophobicContact CD1-CB 4.03Å; L480-D484 HydrophobicContact CG-CB 4.34Å; L480-L486 HydrophobicContact CD2-CD1 4.11Å
481	S	89	Confident	86.2	Confident	21 Å²	21	54.9 Å²	54.9	15%	0.147	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	142.1	176.4	-56.9	0	0	0	0	112.2	G483 D484	S481-G483 PolarHBondContact O-N 2.83Å; S481-D484 WeakPolarHBondContact O-CB 3.49Å; S481-D484 PolarHBondContact O-N 2.88Å
482	R	86.8	Confident	86.1	Confident	32 Å²	32	51.9 Å²	51.9	12%	0.121	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	133.3	179.2	-71.9	179.4	90.5	-173.5	-1.8	110.9	I339 D340 A341 A343 L355 L356 C358	I339-R482 HydrophobicContact CG2-CB 4.19Å; I339-R482 WeakPolarHBondContact CG2-O 3.46Å; D340-R482 WeakPolarHBondContact O-CB 3.36Å; A341-R482 PolarHBondContact O-NH1 2.83Å; A343-R482 HydrophobicContact CB-CB 4.42Å; A343-R482 VanDerWaalsContact O-CZ 3.23Å; A343-R482 PolarHBondContact O-NE 3.44Å; A343-R482 PolarHBondContact O-NH2 2.7Å; L355-R482 WeakPolarHBondContact O-CD 3.48Å; L355-R482 PolarHBondContact O-NH1 3.11Å; L356-R482 WeakPolarHBondContact O-CB 3.24Å; L356-R482 VanDerWaalsContact O-CG 3.26Å; L356-R482 WeakPolarHBondContact O-CG 3.4Å; L356-R482 PolarHBondContact O-N 3.06Å; C358-R482 VanDerWaalsContact SG-CG 3.51Å
483	G	79.9	Confident	85.5	Confident	51 Å²	51	52.5 Å²	52.5	53%	0.526	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	-14.4	-173.7	0	0	0	0	0	114	S481	S481-G483 PolarHBondContact O-N 2.83Å
484	D	84.8	Confident	84.3	Confident	40 Å²	40	49.6 Å²	49.6	21%	0.214	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-77.7	141.1	179.2	-72.8	13.1	0	0	0	111.7	R337 L480 S481	R337-D484 IonicContact CZ-OD1 2.8Å; R337-D484 IonicContact CZ-OD2 2.82Å; R337-D484 VanDerWaalsContact CZ-OD2 3.26Å; R337-D484 IonicContact NH1-OD1 3.74Å; R337-D484 IonicContact NH1-OD2 3.78Å; R337-D484 PolarHBondContact NH1-OD2 2.75Å; R337-D484 IonicContact NH2-OD1 2.9Å; R337-D484 PolarHBondContact NH2-OD1 2.88Å; R337-D484 IonicContact NH2-OD2 3.79Å; R337-D484 PolarHBondContact NH2-OD2 3.41Å; L480-D484 HydrophobicContact CD1-CB 4.03Å; L480-D484 HydrophobicContact CG-CB 4.34Å; S481-D484 WeakPolarHBondContact O-CB 3.49Å; S481-D484 PolarHBondContact O-N 2.88Å
485	K	82.5	Confident	82.7	Confident	194 Å²	194	50.7 Å²	50.7	84%	0.843	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-84.1	119.1	178	-68.4	-176.8	-178.7	176	0	109.7	K487	K485-K487 PolarHBondContact O-N 3.1Å
486	L	87	Confident	80.6	Confident	20 Å²	20	56.5 Å²	56.5	11%	0.105	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-56.7	123.5	171.9	-168.8	76.1	0	0	0	110.4	P346 W349 L383 L480 Y492	P346-L486 HydrophobicContact CB-CB 4.46Å; P346-L486 HydrophobicContact CG-CB 4.36Å; W349-L486 HydrophobicContact CH2-CD1 4.48Å; W349-L486 HydrophobicContact CZ2-CD1 3.5Å; L383-L486 HydrophobicContact CB-CD1 3.98Å; L383-L486 WeakPolarHBondContact O-CD1 3.38Å; L480-L486 HydrophobicContact CD2-CD1 4.11Å; L486-Y492 HydrophobicContact CD2-CE1 3.85Å
487	K	86.2	Confident	78.8	Confident	138 Å²	138	60.7 Å²	60.7	60%	0.6	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-74.6	136.8	169.7	-62.9	180	-178.7	174.3	0	108	L383 K485 P489	L383-K487 WeakPolarHBondContact CA-O 3.25Å; L383-K487 PolarHBondContact O-N 3.09Å; K485-K487 PolarHBondContact O-N 3.1Å; K487-P489 WeakPolarHBondContact O-CD 3.32Å
488	K	79.6	Confident	77.3	Confident	122 Å²	122	62.9 Å²	62.9	53%	0.53	32%	0.322	S	S	.	.			trans	-117.7	94.5	-174.5	-61.9	-179.1	-171.8	179.8	0	110.3	E494	K488-E494 WeakPolarHBondContact CE-OE2 3.46Å; K488-E494 IonicContact NZ-OE1 2.79Å; K488-E494 IonicContact NZ-OE2 3.84Å; K488-E494 PolarHBondContact NZ-OE2 2.75Å
489	P	78.9	Confident	76.5	Confident	26 Å²	26	63.8 Å²	63.8	17%	0.169	33%	0.325	C	S	.	.			trans	-61.9	158	170.2	-23.4	35.6	0	0	0	111.6	A382 L383 K487 W491 Y492	A382-P489 HydrophobicContact CB-CG 4.1Å; A382-P489 WeakPolarHBondContact O-CG 3.38Å; L383-P489 HydrophobicContact CD2-CG 4.37Å; K487-P489 WeakPolarHBondContact O-CD 3.32Å; P489-W491 HydrophobicContact CB-CD2 3.92Å; P489-W491 HydrophobicContact CB-CG 4.12Å; P489-W491 HydrophobicContact CB-CZ2 3.81Å; P489-W491 VanDerWaalsContact CB-NE1 3.26Å; P489-W491 HydrophobicContact CG-CH2 4.24Å; P489-W491 HydrophobicContact CG-CZ2 3.59Å; P489-W491 PolarHBondContact O-N 2.8Å; P489-W491 VanDerWaalsContact O-N 3.11Å; P489-Y492 PolarHBondContact O-N 3.28Å
490	Y	71.4	Confident	76	Confident	182 Å²	182	64.6 Å²	64.6	71%	0.714	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-25.8	-178.9	67	-92.3	0	0	0	113.8
491	W	71.4	Confident	75.6	Confident	45 Å²	45	65 Å²	65	17%	0.17	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-12.2	-178.7	52.7	-105.6	0	0	0	113.5	F379 A382 L383 P489 T493 E628 T629	F379-W491 HydrophobicContact CD1-CH2 4.28Å; F379-W491 AromaticContact CD2-CH2 3.61Å; F379-W491 HydrophobicContact CD2-CH2 3.61Å; F379-W491 HydrophobicContact CD2-CZ2 4.28Å; F379-W491 AromaticContact CD2-CZ3 3.96Å; F379-W491 HydrophobicContact CD2-CZ3 3.96Å; F379-W491 HydrophobicContact CE1-CH2 4.03Å; F379-W491 HydrophobicContact CE1-CZ3 4.17Å; F379-W491 HydrophobicContact CE2-CE3 4.09Å; F379-W491 AromaticContact CE2-CH2 3.35Å; F379-W491 HydrophobicContact CE2-CH2 3.35Å; F379-W491 HydrophobicContact CE2-CZ2 4.31Å; F379-W491 AromaticContact CE2-CZ3 3.2Å; F379-W491 HydrophobicContact CE2-CZ3 3.2Å; F379-W491 HydrophobicContact CG-CH2 4.09Å; F379-W491 HydrophobicContact CZ-CE3 4.46Å; F379-W491 AromaticContact CZ-CH2 3.59Å; F379-W491 HydrophobicContact CZ-CH2 3.59Å; F379-W491 AromaticContact CZ-CZ3 3.34Å; F379-W491 HydrophobicContact CZ-CZ3 3.34Å; A382-W491 HydrophobicContact CB-CZ2 3.9Å; L383-W491 HydrophobicContact CD2-CH2 4.03Å; L383-W491 HydrophobicContact CD2-CZ3 4.46Å; L383-W491 HydrophobicContact CG-CH2 4.21Å; P489-W491 HydrophobicContact CB-CD2 3.92Å; P489-W491 HydrophobicContact CB-CG 4.12Å; P489-W491 HydrophobicContact CB-CZ2 3.81Å; P489-W491 VanDerWaalsContact CB-NE1 3.26Å; P489-W491 HydrophobicContact CG-CH2 4.24Å; P489-W491 HydrophobicContact CG-CZ2 3.59Å; P489-W491 PolarHBondContact O-N 2.8Å; P489-W491 VanDerWaalsContact O-N 3.11Å; W491-T493 PolarHBondContact O-N 3.4Å; W491-E628 WeakPolarHBondContact O-CA 3.38Å; W491-T629 WeakPolarHBondContact CA-OG1 3.48Å; W491-T629 PolarHBondContact O-N 2.73Å; W491-T629 PolarHBondContact O-OG1 3.3Å
492	Y	78.4	Confident	75.4	Confident	18 Å²	18	64.6 Å²	64.6	7%	0.071	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-88.7	109.1	-176.2	-173.9	-105.6	0	0	0	110.7	K360 F362 L383 L486 P489 E494	K360-Y492 WeakPolarHBondContact CE-OH 3.31Å; F362-Y492 HydrophobicContact CE1-CE2 4.34Å; F362-Y492 HydrophobicContact CZ-CE2 4.48Å; L383-Y492 HydrophobicContact CD1-CE2 4.25Å; L383-Y492 HydrophobicContact CD2-CD1 4.18Å; L383-Y492 HydrophobicContact CD2-CD2 3.71Å; L383-Y492 HydrophobicContact CD2-CE1 4.48Å; L383-Y492 HydrophobicContact CD2-CE2 4.02Å; L383-Y492 HydrophobicContact CD2-CG 3.77Å; L486-Y492 HydrophobicContact CD2-CE1 3.85Å; P489-Y492 PolarHBondContact O-N 3.28Å; Y492-E494 HydrophobicContact CD1-CB 4.44Å; Y492-E494 HydrophobicContact CE1-CB 4.16Å; Y492-E494 PolarHBondContact O-N 3.22Å
493	T	71.1	Confident	75.2	Confident	54 Å²	54	67.6 Å²	67.6	33%	0.331	34%	0.339	S	S	.	.			trans	-89.2	98.6	176.5	54.2	0	0	0	0	110.1	W491 V626 V627 T629	W491-T493 PolarHBondContact O-N 3.4Å; T493-V626 PolarHBondContact OG1-O 2.97Å; T493-V627 PolarHBondContact N-O 2.8Å; T493-V627 PolarHBondContact OG1-O 2.75Å; T493-V627 VanDerWaalsContact OG1-O 3.09Å; T493-T629 HydrophobicContact CG2-CG2 3.27Å
494	E	63.3	Low	75.2	Confident	65 Å²	65	67 Å²	67	30%	0.304	33%	0.333	S	S	.	.			trans	-75.6	126.8	167.8	-165.4	-177.1	-141.3	0	0	109.3	K488 Y492 S496	K488-E494 WeakPolarHBondContact CE-OE2 3.46Å; K488-E494 IonicContact NZ-OE1 2.79Å; K488-E494 IonicContact NZ-OE2 3.84Å; K488-E494 PolarHBondContact NZ-OE2 2.75Å; Y492-E494 HydrophobicContact CD1-CB 4.44Å; Y492-E494 HydrophobicContact CE1-CB 4.16Å; Y492-E494 PolarHBondContact O-N 3.22Å; E494-S496 PolarHBondContact O-N 3.04Å
495	Q	59.3	Low	75.2	Confident	47 Å²	47	65.4 Å²	65.4	22%	0.22	33%	0.325	C	S	.	.			trans	-73.2	128.2	168.9	-66.4	171.7	-15.5	0	0	108.5	Q497 W499 R621 S625	Q495-Q497 WeakPolarHBondContact CB-O 3.46Å; Q495-Q497 PolarHBondContact O-N 2.76Å; Q495-W499 VanDerWaalsContact OE1-CB 3.29Å; Q495-R621 VanDerWaalsContact NE2-NH2 3.12Å; Q495-S625 PolarHBondContact NE2-OG 3.29Å
496	S	49.9	Very low	75.4	Confident	125 Å²	125	56.1 Å²	56.1	87%	0.874	29%	0.285	S	S	*	.	S	Bend	trans	-58.9	-14.5	179.6	55.2	0	0	0	0	114.2	E494	E494-S496 PolarHBondContact O-N 3.04Å
497	Q	56.8	Low	75.5	Confident	88 Å²	88	55.5 Å²	55.5	41%	0.411	28%	0.281	S	S	.	.	S	Bend	trans	-137.6	135.7	171.8	-66.5	175.4	-14.4	0	0	109.1	Q495 W499 L508	Q495-Q497 WeakPolarHBondContact CB-O 3.46Å; Q495-Q497 PolarHBondContact O-N 2.76Å; Q497-W499 PolarHBondContact O-N 3.32Å; Q497-L508 HydrophobicContact CB-CD1 3.58Å
498	A	65.6	Low	75.5	Confident	46 Å²	46	49.1 Å²	49.1	38%	0.38	25%	0.253	S	S	.	.			trans	-71.1	98.5	-171.9	0	0	0	0	0	111.7	P347	P347-A498 HydrophobicContact CB-CB 4.5Å
499	W	79	Confident	75.9	Confident	19 Å²	19	44.3 Å²	44.3	7%	0.072	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	122.9	163.2	-67.3	78.5	0	0	0	109.2	Q495 Q497 E506 Y507 L508 M526 A528 C619 R621	Q495-W499 VanDerWaalsContact OE1-CB 3.29Å; Q497-W499 PolarHBondContact O-N 3.32Å; W499-E506 HydrophobicContact CB-CB 4.17Å; W499-E506 HydrophobicContact CD2-CB 4.39Å; W499-E506 HydrophobicContact CE3-CB 3.73Å; W499-Y507 CarbonylContact C-O 3.51Å; W499-Y507 WeakPolarHBondContact CA-O 3.19Å; W499-L508 HydrophobicContact CD2-CB 3.75Å; W499-L508 HydrophobicContact CE3-CB 3.71Å; W499-L508 HydrophobicContact CG-CB 4.44Å; W499-L508 HydrophobicContact CH2-CB 3.75Å; W499-L508 HydrophobicContact CH2-CD2 4.33Å; W499-L508 HydrophobicContact CZ2-CB 3.8Å; W499-L508 HydrophobicContact CZ2-CD2 3.84Å; W499-L508 HydrophobicContact CZ2-CG 4.42Å; W499-L508 HydrophobicContact CZ3-CB 3.72Å; W499-M526 HydrophobicContact CZ2-CB 4.2Å; W499-M526 HydrophobicContact CZ2-CE 4.44Å; W499-M526 HydrophobicContact CZ2-SD 4.24Å; W499-A528 HydrophobicContact CH2-CB 3.43Å; W499-A528 VanDerWaalsContact CH2-CB 3.43Å; W499-A528 HydrophobicContact CZ2-CB 4.38Å; W499-A528 HydrophobicContact CZ3-CB 4.09Å; W499-C619 HydrophobicContact CH2-CB 3.76Å; W499-C619 HydrophobicContact CZ3-CB 4.15Å; W499-R621 HydrophobicContact CE3-CG 4.13Å; W499-R621 HydrophobicContact CH2-CG 4.32Å; W499-R621 HydrophobicContact CZ3-CB 4.47Å; W499-R621 HydrophobicContact CZ3-CG 3.79Å
500	V	83.4	Confident	76.2	Confident	21 Å²	21	43.6 Å²	43.6	13%	0.127	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.2	177.1	-173	0	0	0	0	108.5	E506 Y507 F541	V500-E506 CarbonylContact O-C 3.48Å; V500-E506 WeakPolarHBondContact O-CA 3.33Å; V500-Y507 PolarHBondContact N-O 3.11Å; V500-Y507 PolarHBondContact O-N 2.81Å; V500-F541 HydrophobicContact CB-CZ 4.44Å; V500-F541 HydrophobicContact CG1-CE2 4.34Å; V500-F541 HydrophobicContact CG1-CZ 3.74Å
501	F	84.4	Confident	76.6	Confident	11 Å²	11	38 Å²	38	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	135.9	175.6	178.7	-94.2	0	0	0	110.7	H363 E365 M406 F407 G504 A505 E506 V624	H363-F501 AromaticContact CE1-CD1 3.77Å; H363-F501 AromaticContact CE1-CD2 3.93Å; H363-F501 AromaticContact CE1-CE1 3.79Å; H363-F501 AromaticContact CE1-CE2 3.94Å; H363-F501 AromaticContact CE1-CG 3.83Å; H363-F501 AromaticContact CE1-CZ 3.86Å; H363-F501 AromaticContact NE2-CD1 3.84Å; H363-F501 AromaticContact NE2-CG 3.91Å; E365-F501 HydrophobicContact CB-CE2 4.26Å; E365-F501 HydrophobicContact CB-CZ 4.46Å; E365-F501 HydrophobicContact CG-CE2 4.5Å; E365-F501 HydrophobicContact CG-CZ 4.33Å; M406-F501 HydrophobicContact CB-CD1 4.38Å; M406-F501 HydrophobicContact CE-CB 4.45Å; M406-F501 HydrophobicContact CE-CD1 3.91Å; F407-F501 HydrophobicContact CD1-CE1 4.34Å; F407-F501 AromaticContact CE1-CE1 3.93Å; F407-F501 HydrophobicContact CE1-CE1 3.93Å; F501-G504 VanDerWaalsContact CZ-N 3.27Å; F501-A505 WeakPolarHBondContact CA-O 3.49Å; F501-E506 HydrophobicContact CD2-CG 4.39Å; F501-V624 HydrophobicContact CD2-CG1 4.15Å; F501-V624 HydrophobicContact CD2-CG2 4.09Å; F501-V624 HydrophobicContact CE2-CG1 4.37Å; F501-V624 HydrophobicContact CE2-CG2 3.75Å
502	Y	84.6	Confident	77.2	Confident	12 Å²	12	41.5 Å²	41.5	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	118.5	173	174.5	-95.2	0	0	0	109	T405 G504 A505 Y507 E537 E538 F541	T405-Y502 HydrophobicContact CG2-CD2 4.08Å; T405-Y502 HydrophobicContact CG2-CE2 4.18Å; T405-Y502 WeakPolarHBondContact O-CD2 3.34Å; T405-Y502 VanDerWaalsContact O-CE2 3.24Å; T405-Y502 WeakPolarHBondContact O-CE2 3.38Å; Y502-G504 PolarHBondContact O-N 3.16Å; Y502-A505 PolarHBondContact N-O 3.43Å; Y502-A505 PolarHBondContact O-N 3.03Å; Y502-Y507 HydrophobicContact CD1-CE2 4.09Å; Y502-Y507 HydrophobicContact CG-CE2 4.37Å; Y502-E537 VanDerWaalsContact OH-C 3.3Å; Y502-E537 WeakPolarHBondContact OH-CB 3.49Å; Y502-E537 PolarHBondContact OH-O 3.23Å; Y502-E538 HydrophobicContact CE1-CB 4.12Å; Y502-E538 HydrophobicContact CE1-CG 4.47Å; Y502-F541 AromaticContact CD1-CD1 3.99Å; Y502-F541 HydrophobicContact CD1-CD1 3.99Å; Y502-F541 HydrophobicContact CD1-CE1 4.38Å; Y502-F541 HydrophobicContact CD1-CG 4.34Å; Y502-F541 HydrophobicContact CD2-CB 4.08Å; Y502-F541 AromaticContact CD2-CD1 3.85Å; Y502-F541 HydrophobicContact CD2-CD1 3.85Å; Y502-F541 AromaticContact CD2-CD2 3.51Å; Y502-F541 HydrophobicContact CD2-CD2 3.51Å; Y502-F541 HydrophobicContact CD2-CE1 4.15Å; Y502-F541 AromaticContact CD2-CE2 3.82Å; Y502-F541 HydrophobicContact CD2-CE2 3.82Å; Y502-F541 AromaticContact CD2-CG 3.52Å; Y502-F541 HydrophobicContact CD2-CG 3.52Å; Y502-F541 HydrophobicContact CD2-CZ 4.14Å; Y502-F541 HydrophobicContact CE1-CB 4.42Å; Y502-F541 HydrophobicContact CE1-CD1 4.46Å; Y502-F541 HydrophobicContact CE2-CB 3.75Å; Y502-F541 HydrophobicContact CE2-CD1 4.35Å; Y502-F541 AromaticContact CE2-CD2 3.91Å; Y502-F541 HydrophobicContact CE2-CD2 3.91Å; Y502-F541 AromaticContact CE2-CG 3.74Å; Y502-F541 HydrophobicContact CE2-CG 3.74Å; Y502-F541 AromaticContact CG-CD1 3.65Å; Y502-F541 HydrophobicContact CG-CD1 3.65Å; Y502-F541 HydrophobicContact CG-CD2 4.13Å; Y502-F541 AromaticContact CG-CE1 3.78Å; Y502-F541 HydrophobicContact CG-CE1 3.78Å; Y502-F541 HydrophobicContact CG-CE2 4.23Å; Y502-F541 AromaticContact CG-CG 3.85Å; Y502-F541 HydrophobicContact CG-CG 3.85Å; Y502-F541 HydrophobicContact CG-CZ 4.06Å
503	R	82.5	Confident	77.6	Confident	96 Å²	96	43.5 Å²	43.5	36%	0.362	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	51.4	171.5	-60.4	-172.9	173.2	-162	7.1	114.7	M406 E408 A505	M406-R503 PolarHBondContact O-N 2.99Å; E408-R503 HydrophobicContact CG-CG 4.03Å; E408-R503 WeakPolarHBondContact OE1-CD 3.31Å; E408-R503 IonicContact OE1-CZ 2.9Å; E408-R503 IonicContact OE1-NE 3.07Å; E408-R503 IonicContact OE1-NH1 2.73Å; E408-R503 PolarHBondContact OE1-NH1 3.09Å; R503-A505 VanDerWaalsContact C-N 3.35Å; R503-A505 PolarHBondContact O-N 3.36Å
504	G	79.1	Confident	78.4	Confident	38 Å²	38	46.5 Å²	46.5	39%	0.392	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	4.8	175.8	0	0	0	0	0	115.4	F501 Y502	F501-G504 VanDerWaalsContact CZ-N 3.27Å; Y502-G504 PolarHBondContact O-N 3.16Å
505	A	84.5	Confident	79.6	Confident	6 Å²	6	46.1 Å²	46.1	5%	0.05	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	156.1	173.3	0	0	0	0	0	111.8	F501 Y502 R503 Y507 K620 R621	F501-A505 WeakPolarHBondContact CA-O 3.49Å; Y502-A505 PolarHBondContact N-O 3.43Å; Y502-A505 PolarHBondContact O-N 3.03Å; R503-A505 VanDerWaalsContact C-N 3.35Å; R503-A505 PolarHBondContact O-N 3.36Å; A505-Y507 HydrophobicContact CB-CE2 3.7Å; A505-K620 HydrophobicContact CB-CG 4.4Å; A505-R621 CarbonylContact C-O 3.45Å; A505-R621 WeakPolarHBondContact CA-O 3.45Å
506	E	87.4	Confident	81.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.5	174.6	-71.8	-164.9	135.4	0	0	111.2	K366 W499 V500 F501 K620 R621 V624 S625	K366-E506 WeakPolarHBondContact CE-OE1 3.34Å; K366-E506 IonicContact NZ-OE1 2.84Å; K366-E506 PolarHBondContact NZ-OE1 2.01Å; W499-E506 HydrophobicContact CB-CB 4.17Å; W499-E506 HydrophobicContact CD2-CB 4.39Å; W499-E506 HydrophobicContact CE3-CB 3.73Å; V500-E506 CarbonylContact O-C 3.48Å; V500-E506 WeakPolarHBondContact O-CA 3.33Å; F501-E506 HydrophobicContact CD2-CG 4.39Å; E506-K620 CarbonylContact O-C 3.55Å; E506-K620 WeakPolarHBondContact O-CA 3.4Å; E506-R621 HydrophobicContact CB-CG 3.9Å; E506-R621 PolarHBondContact N-O 2.9Å; E506-R621 PolarHBondContact O-N 3.31Å; E506-R621 IonicContact OE2-CZ 2.73Å; E506-R621 IonicContact OE2-NE 2.65Å; E506-R621 PolarHBondContact OE2-NE 3.36Å; E506-R621 IonicContact OE2-NH2 3.72Å; E506-R621 PolarHBondContact OE2-NH2 3.41Å; E506-V624 HydrophobicContact CG-CG1 4.2Å; E506-S625 PolarHBondContact OE2-N 2.82Å
507	Y	88.3	Confident	82.8	Confident	6 Å²	6	44.3 Å²	44.3	2%	0.024	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.6	-175.4	-59.2	-97	0	0	0	110.9	W499 V500 Y502 A505 L531 E538 F541 I542 C619 K620	W499-Y507 CarbonylContact C-O 3.51Å; W499-Y507 WeakPolarHBondContact CA-O 3.19Å; V500-Y507 PolarHBondContact N-O 3.11Å; V500-Y507 PolarHBondContact O-N 2.81Å; Y502-Y507 HydrophobicContact CD1-CE2 4.09Å; Y502-Y507 HydrophobicContact CG-CE2 4.37Å; A505-Y507 HydrophobicContact CB-CE2 3.7Å; Y507-L531 HydrophobicContact CD1-CD1 3.77Å; Y507-L531 HydrophobicContact CE1-CD1 3.55Å; Y507-E538 HydrophobicContact CE1-CG 4.5Å; Y507-E538 WeakPolarHBondContact CE1-OE1 3.47Å; Y507-E538 PolarHBondContact OH-OE1 3.04Å; Y507-F541 HydrophobicContact CD2-CE1 4.03Å; Y507-F541 HydrophobicContact CE2-CE1 4.42Å; Y507-F541 HydrophobicContact CG-CE1 4.3Å; Y507-I542 HydrophobicContact CD1-CD1 3.58Å; Y507-I542 HydrophobicContact CE1-CD1 4.04Å; Y507-I542 HydrophobicContact CG-CD1 4.04Å; Y507-C619 CarbonylContact C-O 3.56Å; Y507-C619 VanDerWaalsContact CA-O 3.28Å; Y507-C619 WeakPolarHBondContact CA-O 3.21Å; Y507-K620 HydrophobicContact CD1-CB 4.16Å; Y507-K620 HydrophobicContact CD1-CG 4.2Å; Y507-K620 HydrophobicContact CE1-CB 4.15Å; Y507-K620 HydrophobicContact CE1-CD 3.75Å; Y507-K620 HydrophobicContact CE1-CG 3.77Å
508	L	87.4	Confident	84.3	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.6	173.6	172.6	67	0	0	0	108.9	Q497 W499 M526 V618 C619	Q497-L508 HydrophobicContact CB-CD1 3.58Å; W499-L508 HydrophobicContact CD2-CB 3.75Å; W499-L508 HydrophobicContact CE3-CB 3.71Å; W499-L508 HydrophobicContact CG-CB 4.44Å; W499-L508 HydrophobicContact CH2-CB 3.75Å; W499-L508 HydrophobicContact CH2-CD2 4.33Å; W499-L508 HydrophobicContact CZ2-CB 3.8Å; W499-L508 HydrophobicContact CZ2-CD2 3.84Å; W499-L508 HydrophobicContact CZ2-CG 4.42Å; W499-L508 HydrophobicContact CZ3-CB 3.72Å; L508-M526 HydrophobicContact CD2-CE 3.58Å; L508-M526 HydrophobicContact CD2-SD 3.94Å; L508-V618 CarbonylContact O-C 3.51Å; L508-V618 VanDerWaalsContact O-CA 3.27Å; L508-V618 WeakPolarHBondContact O-CA 3.44Å; L508-C619 HydrophobicContact CB-CB 4.18Å; L508-C619 PolarHBondContact N-O 3.27Å; L508-C619 PolarHBondContact O-N 3.07Å
509	L	86.3	Confident	85.4	Confident	22 Å²	22	40 Å²	40	12%	0.115	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	112.2	176.7	-68.1	77.2	0	0	0	108.9	R545 L546 V618	L509-R545 HydrophobicContact CD2-CB 3.61Å; L509-L546 HydrophobicContact CD2-CD2 3.87Å; L509-L546 HydrophobicContact CD2-CG 4.31Å; L509-V618 HydrophobicContact CD1-CG1 4.44Å; L509-V618 HydrophobicContact CG-CG1 4.31Å; L509-V618 HydrophobicContact CG-CG2 4.25Å
510	A	85.2	Confident	85.8	Confident	10 Å²	10	39.8 Å²	39.8	8%	0.083	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	116.1	-177.6	0	0	0	0	0	111.1	Q512 W556 G616 Y617	A510-Q512 PolarHBondContact O-N 2.83Å; A510-W556 VanDerWaalsContact C-CZ3 3.47Å; A510-W556 VanDerWaalsContact O-CZ3 3.26Å; A510-W556 WeakPolarHBondContact O-CZ3 3.27Å; A510-G616 CarbonylContact O-C 3.6Å; A510-G616 VanDerWaalsContact O-CA 3.32Å; A510-G616 WeakPolarHBondContact O-CA 3.31Å; A510-Y617 HydrophobicContact CB-CD1 4.1Å; A510-Y617 HydrophobicContact CB-CD2 4.06Å; A510-Y617 HydrophobicContact CB-CE1 3.6Å; A510-Y617 HydrophobicContact CB-CE2 3.58Å; A510-Y617 HydrophobicContact CB-CG 4.31Å; A510-Y617 PolarHBondContact N-O 2.79Å; A510-Y617 PolarHBondContact O-N 2.98Å
511	N	81.7	Confident	85.9	Confident	64 Å²	64	43.6 Å²	43.6	34%	0.342	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	8.8	178.6	-166.7	28	0	0	0	113.5	W556	N511-W556 HydrophobicContact CB-CH2 3.8Å; N511-W556 HydrophobicContact CB-CZ2 4.5Å; N511-W556 HydrophobicContact CB-CZ3 4.5Å
512	Q	82.8	Confident	85.9	Confident	119 Å²	119	44.7 Å²	44.7	56%	0.556	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	124.1	-179.4	-63.9	-62.2	-32.1	0	0	109.7	A510 Y514	A510-Q512 PolarHBondContact O-N 2.83Å; Q512-Y514 HydrophobicContact CB-CD2 3.97Å; Q512-Y514 HydrophobicContact CB-CE2 3.62Å; Q512-Y514 WeakPolarHBondContact O-CD2 3.19Å; Q512-Y514 PolarHBondContact O-N 3.18Å
513	P	86.1	Confident	86	Confident	60 Å²	60	44.1 Å²	44.1	39%	0.39	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	112.9	-171.8	31.2	-35.1	0	0	0	111.4	L614 H615	P513-L614 HydrophobicContact CB-CB 3.97Å; P513-H615 WeakPolarHBondContact CA-O 3.45Å
514	Y	87.9	Confident	86.1	Confident	118 Å²	118	44.1 Å²	44.1	46%	0.463	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	164.1	178.1	-73.5	-76.7	0	0	0	111.8	Q512 W557 L614 H615 Y617	Q512-Y514 HydrophobicContact CB-CD2 3.97Å; Q512-Y514 HydrophobicContact CB-CE2 3.62Å; Q512-Y514 WeakPolarHBondContact O-CD2 3.19Å; Q512-Y514 PolarHBondContact O-N 3.18Å; Y514-W557 PolarHBondContact O-NE1 3.28Å; Y514-L614 WeakPolarHBondContact O-CA 3.18Å; Y514-H615 PolarHBondContact N-O 3.4Å; Y514-H615 PolarHBondContact O-N 3.34Å; Y514-H615 VanDerWaalsContact O-N 3.15Å; Y514-Y617 AromaticContact CD2-CE1 3.96Å; Y514-Y617 HydrophobicContact CD2-CE1 3.96Å
515	N	90.1	Very high	86.2	Confident	56 Å²	56	49.7 Å²	49.7	30%	0.299	26%	0.258	S	S	.	.			trans	-78.6	155.1	174.3	71.5	70.3	0	0	0	111.3	H517 A518 V519 E613 L614	N515-H517 VanDerWaalsContact C-N 3.31Å; N515-H517 PolarHBondContact O-N 2.94Å; N515-H517 PolarHBondContact OD1-N 2.77Å; N515-A518 PolarHBondContact O-N 2.91Å; N515-A518 WeakPolarHBondContact OD1-CB 3.17Å; N515-A518 PolarHBondContact OD1-N 2.74Å; N515-V519 WeakPolarHBondContact O-CG2 3.09Å; N515-V519 PolarHBondContact O-N 2.96Å; N515-V519 VanDerWaalsContact O-N 3.11Å; N515-E613 WeakPolarHBondContact CA-O 3.4Å; N515-L614 HydrophobicContact CB-CD2 4.25Å
516	W	89.9	Confident	85.9	Confident	18 Å²	18	52.2 Å²	52.2	7%	0.068	27%	0.27	C	S	.	.	H	α-helix	trans	-58.5	-39.3	-171.4	-170.6	96.3	0	0	0	113.5	V519 S520 L530 W557 I558 C597 C611	W516-V519 PolarHBondContact O-N 3.44Å; W516-S520 WeakPolarHBondContact O-CB 3.35Å; W516-S520 PolarHBondContact O-N 2.83Å; W516-L530 HydrophobicContact CD2-CD1 3.98Å; W516-L530 VanDerWaalsContact CE2-CD1 3.44Å; W516-L530 HydrophobicContact CG-CD1 4.37Å; W516-L530 HydrophobicContact CH2-CD1 4.31Å; W516-L530 HydrophobicContact CZ2-CD1 3.63Å; W516-W557 HydrophobicContact CB-CD2 4.17Å; W516-W557 HydrophobicContact CB-CE3 4.48Å; W516-W557 HydrophobicContact CB-CZ2 4.38Å; W516-W557 AromaticContact CD1-CD2 3.85Å; W516-W557 AromaticContact CD1-CE3 3.7Å; W516-W557 HydrophobicContact CG-CD2 4.45Å; W516-I558 PolarHBondContact NE1-O 3.27Å; W516-C597 HydrophobicContact CB-CB 4.08Å; W516-C597 HydrophobicContact CD2-CB 4.38Å; W516-C597 VanDerWaalsContact CD2-SG 3.56Å; W516-C597 HydrophobicContact CG-CB 3.78Å; W516-C611 HydrophobicContact CB-CB 4.32Å; W516-C611 PolarHBondContact N-O 3.19Å
517	H	86.5	Confident	85.6	Confident	117 Å²	117	54.6 Å²	54.6	54%	0.542	29%	0.294	S	S	.	.	H	α-helix	trans	-69.3	-42.8	-177.7	-64.9	85.6	0	0	0	112	N515 V519 S520 L521	N515-H517 VanDerWaalsContact C-N 3.31Å; N515-H517 PolarHBondContact O-N 2.94Å; N515-H517 PolarHBondContact OD1-N 2.77Å; H517-V519 VanDerWaalsContact C-N 3.32Å; H517-V519 PolarHBondContact O-N 3.45Å; H517-S520 PolarHBondContact O-N 2.91Å; H517-L521 PolarHBondContact O-N 3.47Å; H517-L521 VanDerWaalsContact O-N 3.11Å
518	A	87.3	Confident	85.5	Confident	42 Å²	42	54.3 Å²	54.3	35%	0.347	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-41.8	176.3	0	0	0	0	0	111.4	N515 L521 A522	N515-A518 PolarHBondContact O-N 2.91Å; N515-A518 WeakPolarHBondContact OD1-CB 3.17Å; N515-A518 PolarHBondContact OD1-N 2.74Å; A518-L521 PolarHBondContact O-N 2.81Å; A518-A522 WeakPolarHBondContact O-CB 3.43Å; A518-A522 PolarHBondContact O-N 2.98Å
519	V	88.6	Confident	85.6	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.012	31%	0.309	C	S	.	.	H	α-helix	trans	-65.1	-45.6	176.3	172.2	0	0	0	0	111.7	N515 W516 H517 L521 A522 C523 L530 Y617	N515-V519 WeakPolarHBondContact O-CG2 3.09Å; N515-V519 PolarHBondContact O-N 2.96Å; N515-V519 VanDerWaalsContact O-N 3.11Å; W516-V519 PolarHBondContact O-N 3.44Å; H517-V519 VanDerWaalsContact C-N 3.32Å; H517-V519 PolarHBondContact O-N 3.45Å; V519-L521 VanDerWaalsContact C-N 3.28Å; V519-L521 PolarHBondContact O-N 2.92Å; V519-A522 PolarHBondContact O-N 2.88Å; V519-A522 VanDerWaalsContact O-N 3.1Å; V519-C523 PolarHBondContact O-N 2.76Å; V519-C523 PolarHBondContact O-SG 2.98Å; V519-C523 VanDerWaalsContact O-SG 3.38Å; V519-L530 HydrophobicContact CG1-CD1 4.35Å; V519-L530 HydrophobicContact CG1-CD2 3.47Å; V519-L530 VanDerWaalsContact CG1-CD2 3.47Å; V519-L530 HydrophobicContact CG1-CG 4.02Å; V519-Y617 HydrophobicContact CB-CD1 4.45Å; V519-Y617 HydrophobicContact CB-CG 4.21Å; V519-Y617 HydrophobicContact CG1-CD1 4.03Å; V519-Y617 HydrophobicContact CG1-CD2 3.47Å; V519-Y617 VanDerWaalsContact CG1-CD2 3.47Å; V519-Y617 HydrophobicContact CG1-CE2 4.23Å; V519-Y617 HydrophobicContact CG1-CG 3.33Å; V519-Y617 HydrophobicContact CG2-CD1 3.55Å; V519-Y617 HydrophobicContact CG2-CD2 4.47Å; V519-Y617 HydrophobicContact CG2-CE1 4.11Å; V519-Y617 HydrophobicContact CG2-CG 3.76Å
520	S	88.1	Confident	85.8	Confident	14 Å²	14	56.6 Å²	56.6	10%	0.098	30%	0.303	C	S	.	.	H	α-helix	trans	-56.2	-45.4	178.6	-172.3	0	0	0	0	111.1	W516 H517 Q524	W516-S520 WeakPolarHBondContact O-CB 3.35Å; W516-S520 PolarHBondContact O-N 2.83Å; H517-S520 PolarHBondContact O-N 2.91Å; S520-Q524 VanDerWaalsContact O-CG 3.31Å; S520-Q524 WeakPolarHBondContact O-CG 3.41Å; S520-Q524 PolarHBondContact O-N 2.9Å; S520-Q524 VanDerWaalsContact O-N 3.08Å
521	L	84.6	Confident	86.1	Confident	101 Å²	101	56.1 Å²	56.1	53%	0.529	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-43.7	174.8	-176.7	65	0	0	0	112.1	H517 A518 V519 C523 Q524 M525	H517-L521 PolarHBondContact O-N 3.47Å; H517-L521 VanDerWaalsContact O-N 3.11Å; A518-L521 PolarHBondContact O-N 2.81Å; V519-L521 VanDerWaalsContact C-N 3.28Å; V519-L521 PolarHBondContact O-N 2.92Å; L521-C523 PolarHBondContact O-N 3.11Å; L521-Q524 PolarHBondContact O-N 3.42Å; L521-M525 HydrophobicContact CG-SD 4.35Å; L521-M525 WeakPolarHBondContact O-CG 3.45Å; L521-M525 PolarHBondContact O-N 2.78Å
522	A	84.7	Confident	86.5	Confident	33 Å²	33	53.1 Å²	53.1	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-61.2	-45.2	178.6	0	0	0	0	0	112	A518 V519 Q524 M525 M526	A518-A522 WeakPolarHBondContact O-CB 3.43Å; A518-A522 PolarHBondContact O-N 2.98Å; V519-A522 PolarHBondContact O-N 2.88Å; V519-A522 VanDerWaalsContact O-N 3.1Å; A522-Q524 VanDerWaalsContact C-N 3.32Å; A522-Q524 PolarHBondContact O-N 3.06Å; A522-M525 PolarHBondContact O-N 3.45Å; A522-M526 WeakPolarHBondContact O-CE 3.31Å; A522-M526 WeakPolarHBondContact O-CG 3.47Å; A522-M526 PolarHBondContact O-N 3.01Å
523	C	86.4	Confident	86.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-45.6	174	-61.3	0	0	0	0	110.6	V519 L521 M525 M526 G527 A528 C619	V519-C523 PolarHBondContact O-N 2.76Å; V519-C523 PolarHBondContact O-SG 2.98Å; V519-C523 VanDerWaalsContact O-SG 3.38Å; L521-C523 PolarHBondContact O-N 3.11Å; C523-M525 PolarHBondContact O-N 2.85Å; C523-M526 CarbonylContact O-C 3.46Å; C523-M526 WeakPolarHBondContact O-CA 3.45Å; C523-M526 PolarHBondContact O-N 3.29Å; C523-G527 PolarHBondContact O-N 3.49Å; C523-A528 CarbonylContact C-O 3.56Å; C523-A528 HydrophobicContact CB-CB 4.37Å; C523-A528 CarbonylContact O-C 3.55Å; C523-A528 WeakPolarHBondContact O-CA 3.43Å; C523-A528 WeakPolarHBondContact O-CB 3.36Å; C523-A528 PolarHBondContact O-N 3.37Å; C523-C619 HydrophobicContact CB-CB 3.8Å; C523-C619 WeakPolarHBondContact CB-SG 3.49Å; C523-C619 WeakPolarHBondContact SG-CB 3.25Å; C523-C619 CovalentContact SG-SG 2.04Å; C523-C619 PolarHBondContact SG-SG 3.29Å
524	Q	84.7	Confident	86.9	Confident	96 Å²	96	46.7 Å²	46.7	45%	0.449	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-40.6	178.9	-73.4	174.8	5.1	0	0	113	S520 L521 A522 M526 G527 A528	S520-Q524 VanDerWaalsContact O-CG 3.31Å; S520-Q524 WeakPolarHBondContact O-CG 3.41Å; S520-Q524 PolarHBondContact O-N 2.9Å; S520-Q524 VanDerWaalsContact O-N 3.08Å; L521-Q524 PolarHBondContact O-N 3.42Å; A522-Q524 VanDerWaalsContact C-N 3.32Å; A522-Q524 PolarHBondContact O-N 3.06Å; Q524-M526 PolarHBondContact O-N 3.3Å; Q524-G527 PolarHBondContact O-N 3.31Å; Q524-A528 WeakPolarHBondContact CA-O 3.35Å; Q524-A528 PolarHBondContact N-O 2.85Å; Q524-A528 VanDerWaalsContact N-O 3.13Å
525	M	80.9	Confident	86.9	Confident	155 Å²	155	42.8 Å²	42.8	76%	0.764	24%	0.237	S	C	*	.	H	α-helix	trans	-62.5	-26.2	175.2	-72.3	-178.8	67.8	0	0	112.8	L521 A522 C523 G527	L521-M525 HydrophobicContact CG-SD 4.35Å; L521-M525 WeakPolarHBondContact O-CG 3.45Å; L521-M525 PolarHBondContact O-N 2.78Å; A522-M525 PolarHBondContact O-N 3.45Å; C523-M525 PolarHBondContact O-N 2.85Å; M525-G527 VanDerWaalsContact C-N 3.3Å
526	M	78.6	Confident	86.7	Confident	60 Å²	60	47.9 Å²	47.9	30%	0.296	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	9.3	174.7	-63.6	-176.6	-71.2	0	0	113.4	W499 L508 A522 C523 Q524 A528	W499-M526 HydrophobicContact CZ2-CB 4.2Å; W499-M526 HydrophobicContact CZ2-CE 4.44Å; W499-M526 HydrophobicContact CZ2-SD 4.24Å; L508-M526 HydrophobicContact CD2-CE 3.58Å; L508-M526 HydrophobicContact CD2-SD 3.94Å; A522-M526 WeakPolarHBondContact O-CE 3.31Å; A522-M526 WeakPolarHBondContact O-CG 3.47Å; A522-M526 PolarHBondContact O-N 3.01Å; C523-M526 CarbonylContact O-C 3.46Å; C523-M526 WeakPolarHBondContact O-CA 3.45Å; C523-M526 PolarHBondContact O-N 3.29Å; Q524-M526 PolarHBondContact O-N 3.3Å; M526-A528 VanDerWaalsContact C-N 3.3Å
527	G	81.7	Confident	86.5	Confident	49 Å²	49	50.9 Å²	50.9	51%	0.505	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	25.3	-175.9	0	0	0	0	0	113.5	C523 Q524 M525	C523-G527 PolarHBondContact O-N 3.49Å; Q524-G527 PolarHBondContact O-N 3.31Å; M525-G527 VanDerWaalsContact C-N 3.3Å
528	A	85.9	Confident	86.6	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.008	24%	0.243	C	C	.	.			trans	-126.1	173	-177.1	0	0	0	0	0	111.8	W499 C523 Q524 M526 C619 R621	W499-A528 HydrophobicContact CH2-CB 3.43Å; W499-A528 VanDerWaalsContact CH2-CB 3.43Å; W499-A528 HydrophobicContact CZ2-CB 4.38Å; W499-A528 HydrophobicContact CZ3-CB 4.09Å; C523-A528 CarbonylContact C-O 3.56Å; C523-A528 HydrophobicContact CB-CB 4.37Å; C523-A528 CarbonylContact O-C 3.55Å; C523-A528 WeakPolarHBondContact O-CA 3.43Å; C523-A528 WeakPolarHBondContact O-CB 3.36Å; C523-A528 PolarHBondContact O-N 3.37Å; Q524-A528 WeakPolarHBondContact CA-O 3.35Å; Q524-A528 PolarHBondContact N-O 2.85Å; Q524-A528 VanDerWaalsContact N-O 3.13Å; M526-A528 VanDerWaalsContact C-N 3.3Å; A528-C619 HydrophobicContact CB-CB 4.17Å; A528-R621 HydrophobicContact CB-CB 3.76Å; A528-R621 HydrophobicContact CB-CG 4.43Å
529	H	89.1	Confident	86.7	Confident	74 Å²	74	44 Å²	44	34%	0.343	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	164.8	172.8	-67.1	-85.2	0	0	0	109.7	S572 D573 C619 K620	H529-S572 PolarHBondContact ND1-O 3.21Å; H529-S572 VanDerWaalsContact ND1-O 3.15Å; H529-D573 HydrophobicContact CB-CB 3.89Å; H529-C619 CarbonylContact O-C 3.03Å; H529-C619 VanDerWaalsContact O-CA 3.24Å; H529-C619 WeakPolarHBondContact O-CA 3.41Å; H529-K620 PolarHBondContact N-O 2.52Å; H529-K620 PolarHBondContact O-N 2.77Å
530	L	90.3	Very high	86.7	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	146.5	168.1	-90.9	161.4	0	0	0	109.4	W516 V519 S532 W557 S572	W516-L530 HydrophobicContact CD2-CD1 3.98Å; W516-L530 VanDerWaalsContact CE2-CD1 3.44Å; W516-L530 HydrophobicContact CG-CD1 4.37Å; W516-L530 HydrophobicContact CH2-CD1 4.31Å; W516-L530 HydrophobicContact CZ2-CD1 3.63Å; V519-L530 HydrophobicContact CG1-CD1 4.35Å; V519-L530 HydrophobicContact CG1-CD2 3.47Å; V519-L530 VanDerWaalsContact CG1-CD2 3.47Å; V519-L530 HydrophobicContact CG1-CG 4.02Å; L530-S532 PolarHBondContact O-N 3.06Å; L530-S532 VanDerWaalsContact O-N 3.17Å; L530-W557 HydrophobicContact CD2-CB 4.24Å; L530-S572 WeakPolarHBondContact CB-OG 3.48Å; L530-S572 PolarHBondContact N-OG 2.74Å; L530-S572 VanDerWaalsContact N-OG 3.12Å; L530-S572 PolarHBondContact O-OG 2.97Å; L530-S572 VanDerWaalsContact O-OG 3.11Å
531	L	91.7	Very high	86.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-46.7	117.6	-173	177.4	65.8	0	0	0	113.3	Y507 I533 I542 I558 G559 W571 V618 K620	Y507-L531 HydrophobicContact CD1-CD1 3.77Å; Y507-L531 HydrophobicContact CE1-CD1 3.55Å; L531-I533 HydrophobicContact CD1-CG1 4.25Å; L531-I533 HydrophobicContact CD2-CD1 3.88Å; L531-I533 HydrophobicContact CD2-CG1 3.89Å; L531-I533 HydrophobicContact CG-CD1 4.31Å; L531-I533 HydrophobicContact CG-CG1 3.78Å; L531-I542 HydrophobicContact CD1-CD1 4.43Å; L531-I542 HydrophobicContact CD1-CG1 4.36Å; L531-I542 HydrophobicContact CD2-CG1 4.07Å; L531-I542 HydrophobicContact CD2-CG2 3.93Å; L531-I558 HydrophobicContact CB-CG2 4.39Å; L531-I558 HydrophobicContact CD2-CG2 3.96Å; L531-G559 PolarHBondContact O-N 2.95Å; L531-W571 VanDerWaalsContact O-CZ3 3.24Å; L531-W571 WeakPolarHBondContact O-CZ3 3.31Å; L531-V618 HydrophobicContact CB-CB 3.9Å; L531-V618 HydrophobicContact CB-CG1 4Å; L531-V618 WeakPolarHBondContact CB-O 3.3Å; L531-V618 HydrophobicContact CD1-CG1 4.28Å; L531-V618 HydrophobicContact CD2-CB 4.04Å; L531-V618 HydrophobicContact CD2-CG1 3.98Å; L531-V618 HydrophobicContact CD2-CG2 4.48Å; L531-V618 HydrophobicContact CG-CG1 4.31Å; L531-V618 PolarHBondContact N-O 3.35Å; L531-K620 HydrophobicContact CD1-CB 4.27Å; L531-K620 HydrophobicContact CD1-CD 4.21Å
532	S	90.4	Very high	86.9	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.007	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-98.2	135.3	162.2	53.9	0	0	0	0	109.6	L530 D573 K620	L530-S532 PolarHBondContact O-N 3.06Å; L530-S532 VanDerWaalsContact O-N 3.17Å; S532-D573 WeakPolarHBondContact CB-OD2 3.42Å; S532-D573 PolarHBondContact OG-OD2 3.29Å; S532-K620 WeakPolarHBondContact O-CD 3.46Å; S532-K620 PolarHBondContact O-NZ 3.12Å
533	I	89.4	Confident	87	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.			trans	-118.8	121.3	-177	-53.6	176.1	0	0	0	108.9	L531 E538 W571 F579 M600 W606	L531-I533 HydrophobicContact CD1-CG1 4.25Å; L531-I533 HydrophobicContact CD2-CD1 3.88Å; L531-I533 HydrophobicContact CD2-CG1 3.89Å; L531-I533 HydrophobicContact CG-CD1 4.31Å; L531-I533 HydrophobicContact CG-CG1 3.78Å; I533-E538 WeakPolarHBondContact CA-OE2 3.41Å; I533-E538 HydrophobicContact CG2-CG 4.45Å; I533-W571 HydrophobicContact CB-CH2 4.26Å; I533-W571 HydrophobicContact CB-CZ2 4.47Å; I533-W571 HydrophobicContact CG1-CH2 4.43Å; I533-F579 HydrophobicContact CB-CD1 4.35Å; I533-F579 HydrophobicContact CG2-CD1 3.57Å; I533-F579 HydrophobicContact CG2-CE1 3.8Å; I533-M600 HydrophobicContact CD1-SD 3.77Å; I533-W606 HydrophobicContact CB-CZ2 4.07Å; I533-W606 HydrophobicContact CD1-CZ2 3.92Å; I533-W606 HydrophobicContact CG1-CZ2 4.48Å; I533-W606 HydrophobicContact CG2-CZ2 4.39Å
534	H	87.3	Confident	86.9	Confident	44 Å²	44	50.4 Å²	50.4	20%	0.204	25%	0.248	C	C	.	.			trans	-118.1	-9.5	-175.7	-63.9	-66.6	0	0	0	114.1	E538 W571 T575 E576 D578	H534-E538 PolarHBondContact N-OE2 3.27Å; H534-W571 AromaticContact CE1-NE1 3.96Å; H534-T575 PolarHBondContact CE1-OG1 2.98Å; H534-T575 PolarHBondContact NE2-OG1 2.8Å; H534-E576 PolarHBondContact CE1-O 3.45Å; H534-D578 WeakPolarHBondContact CA-OD1 3.35Å; H534-D578 IonicContact CE1-OD1 3.55Å; H534-D578 IonicContact CG-OD1 2.81Å; H534-D578 IonicContact CG-OD2 3.65Å; H534-D578 IonicContact ND1-OD1 3.73Å; H534-D578 PolarHBondContact ND1-OD1 3.06Å; H534-D578 IonicContact ND1-OD2 3.05Å; H534-D578 PolarHBondContact ND1-OD2 2.82Å
535	S	87.8	Confident	86.8	Confident	35 Å²	35	47.6 Å²	47.6	25%	0.245	23%	0.233	C	C	.	.			trans	-140.7	161.6	-179.8	75.1	0	0	0	0	113.2	E537 E538 S539	S535-E537 VanDerWaalsContact C-N 3.3Å; S535-E537 WeakPolarHBondContact CB-OE2 3.19Å; S535-E538 VanDerWaalsContact OG-CB 3.25Å; S535-E538 WeakPolarHBondContact OG-CB 3.44Å; S535-E538 PolarHBondContact OG-N 3.33Å; S535-S539 PolarHBondContact O-N 2.92Å
536	R	86.9	Confident	86.9	Confident	163 Å²	163	40.2 Å²	40.2	62%	0.615	20%	0.197	S	C	*	.	H	α-helix	trans	-67.1	-38.2	175.4	178.4	-178.8	-64.9	-154.7	1	110.6	S539 Q540 F579	R536-S539 WeakPolarHBondContact O-CB 3.47Å; R536-S539 PolarHBondContact O-N 2.95Å; R536-Q540 WeakPolarHBondContact O-CG 3.17Å; R536-Q540 PolarHBondContact O-N 2.72Å; R536-F579 HydrophobicContact CB-CE2 4.02Å
537	E	86.3	Confident	86.9	Confident	82 Å²	82	45.3 Å²	45.3	38%	0.383	21%	0.213	S	C	.	.	H	α-helix	trans	-66.9	-43.7	-177.8	-61.9	64.9	-140.9	0	0	110.1	Y502 S535 S539 Q540 F541	Y502-E537 VanDerWaalsContact OH-C 3.3Å; Y502-E537 WeakPolarHBondContact OH-CB 3.49Å; Y502-E537 PolarHBondContact OH-O 3.23Å; S535-E537 VanDerWaalsContact C-N 3.3Å; S535-E537 WeakPolarHBondContact CB-OE2 3.19Å; E537-S539 PolarHBondContact O-N 2.83Å; E537-Q540 PolarHBondContact O-N 2.97Å; E537-F541 WeakPolarHBondContact O-CB 3.17Å; E537-F541 PolarHBondContact O-N 3.36Å
538	E	88.8	Confident	86.5	Confident	8 Å²	8	49.6 Å²	49.6	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-61.4	-43.9	173.5	-179.7	177.4	-151	0	0	111.1	Y502 Y507 I533 H534 S535 Q540 F541 I542 K620	Y502-E538 HydrophobicContact CE1-CB 4.12Å; Y502-E538 HydrophobicContact CE1-CG 4.47Å; Y507-E538 HydrophobicContact CE1-CG 4.5Å; Y507-E538 WeakPolarHBondContact CE1-OE1 3.47Å; Y507-E538 PolarHBondContact OH-OE1 3.04Å; I533-E538 WeakPolarHBondContact CA-OE2 3.41Å; I533-E538 HydrophobicContact CG2-CG 4.45Å; H534-E538 PolarHBondContact N-OE2 3.27Å; S535-E538 VanDerWaalsContact OG-CB 3.25Å; S535-E538 WeakPolarHBondContact OG-CB 3.44Å; S535-E538 PolarHBondContact OG-N 3.33Å; E538-Q540 VanDerWaalsContact C-N 3.33Å; E538-Q540 PolarHBondContact O-N 2.9Å; E538-F541 PolarHBondContact O-N 3.43Å; E538-I542 WeakPolarHBondContact O-CG1 3.22Å; E538-I542 PolarHBondContact O-N 3.34Å; E538-K620 WeakPolarHBondContact OE1-CE 3Å; E538-K620 IonicContact OE1-NZ 2.82Å; E538-K620 PolarHBondContact OE1-NZ 3.36Å; E538-K620 IonicContact OE2-NZ 2.67Å
539	S	88.9	Confident	85.6	Confident	7 Å²	7	54.6 Å²	54.6	5%	0.049	24%	0.241	C	C	.	.	H	α-helix	trans	-60.9	-40.1	176.2	-166.7	0	0	0	0	112.4	S535 R536 E537 K543 M600	S535-S539 PolarHBondContact O-N 2.92Å; R536-S539 WeakPolarHBondContact O-CB 3.47Å; R536-S539 PolarHBondContact O-N 2.95Å; E537-S539 PolarHBondContact O-N 2.83Å; S539-K543 VanDerWaalsContact O-CB 3.27Å; S539-K543 WeakPolarHBondContact O-CB 3.47Å; S539-K543 PolarHBondContact O-N 3.39Å; S539-M600 WeakPolarHBondContact O-CE 3.48Å
540	Q	88.1	Confident	84.1	Confident	100 Å²	100	53 Å²	53	47%	0.467	24%	0.238	S	C	.	.	H	α-helix	trans	-66.7	-46.3	176.1	-76	174.9	-8.7	0	0	111.9	R536 E537 E538 I542 K543 E544	R536-Q540 WeakPolarHBondContact O-CG 3.17Å; R536-Q540 PolarHBondContact O-N 2.72Å; E537-Q540 PolarHBondContact O-N 2.97Å; E538-Q540 VanDerWaalsContact C-N 3.33Å; E538-Q540 PolarHBondContact O-N 2.9Å; Q540-I542 PolarHBondContact O-N 2.91Å; Q540-K543 WeakPolarHBondContact O-CB 2.95Å; Q540-K543 PolarHBondContact O-N 3.45Å; Q540-E544 WeakPolarHBondContact O-CG 2.98Å; Q540-E544 PolarHBondContact O-N 3.26Å
541	F	87.4	Confident	82.4	Confident	11 Å²	11	61.8 Å²	61.8	5%	0.048	28%	0.284	C	S	.	.	H	α-helix	trans	-55.9	-50	176.8	166.3	-104.2	0	0	0	112	T405 V500 Y502 Y507 E537 E538 K543 E544 R545	T405-F541 HydrophobicContact CG2-CD2 3.78Å; T405-F541 HydrophobicContact CG2-CE2 4.06Å; V500-F541 HydrophobicContact CB-CZ 4.44Å; V500-F541 HydrophobicContact CG1-CE2 4.34Å; V500-F541 HydrophobicContact CG1-CZ 3.74Å; Y502-F541 AromaticContact CD1-CD1 3.99Å; Y502-F541 HydrophobicContact CD1-CD1 3.99Å; Y502-F541 HydrophobicContact CD1-CE1 4.38Å; Y502-F541 HydrophobicContact CD1-CG 4.34Å; Y502-F541 HydrophobicContact CD2-CB 4.08Å; Y502-F541 AromaticContact CD2-CD1 3.85Å; Y502-F541 HydrophobicContact CD2-CD1 3.85Å; Y502-F541 AromaticContact CD2-CD2 3.51Å; Y502-F541 HydrophobicContact CD2-CD2 3.51Å; Y502-F541 HydrophobicContact CD2-CE1 4.15Å; Y502-F541 AromaticContact CD2-CE2 3.82Å; Y502-F541 HydrophobicContact CD2-CE2 3.82Å; Y502-F541 AromaticContact CD2-CG 3.52Å; Y502-F541 HydrophobicContact CD2-CG 3.52Å; Y502-F541 HydrophobicContact CD2-CZ 4.14Å; Y502-F541 HydrophobicContact CE1-CB 4.42Å; Y502-F541 HydrophobicContact CE1-CD1 4.46Å; Y502-F541 HydrophobicContact CE2-CB 3.75Å; Y502-F541 HydrophobicContact CE2-CD1 4.35Å; Y502-F541 AromaticContact CE2-CD2 3.91Å; Y502-F541 HydrophobicContact CE2-CD2 3.91Å; Y502-F541 AromaticContact CE2-CG 3.74Å; Y502-F541 HydrophobicContact CE2-CG 3.74Å; Y502-F541 AromaticContact CG-CD1 3.65Å; Y502-F541 HydrophobicContact CG-CD1 3.65Å; Y502-F541 HydrophobicContact CG-CD2 4.13Å; Y502-F541 AromaticContact CG-CE1 3.78Å; Y502-F541 HydrophobicContact CG-CE1 3.78Å; Y502-F541 HydrophobicContact CG-CE2 4.23Å; Y502-F541 AromaticContact CG-CG 3.85Å; Y502-F541 HydrophobicContact CG-CG 3.85Å; Y502-F541 HydrophobicContact CG-CZ 4.06Å; Y507-F541 HydrophobicContact CD2-CE1 4.03Å; Y507-F541 HydrophobicContact CE2-CE1 4.42Å; Y507-F541 HydrophobicContact CG-CE1 4.3Å; E537-F541 WeakPolarHBondContact O-CB 3.17Å; E537-F541 PolarHBondContact O-N 3.36Å; E538-F541 PolarHBondContact O-N 3.43Å; F541-K543 PolarHBondContact O-N 3.48Å; F541-E544 PolarHBondContact O-N 2.86Å; F541-R545 HydrophobicContact CE2-CG 4.2Å; F541-R545 HydrophobicContact CZ-CG 4.32Å; F541-R545 WeakPolarHBondContact O-CG 3.16Å; F541-R545 PolarHBondContact O-N 3.17Å
542	I	88.6	Confident	80.6	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.2	-45.2	177.9	-63.2	-59.8	0	0	0	110.6	Y507 L531 E538 Q540 E544 R545 L546 M600 V618	Y507-I542 HydrophobicContact CD1-CD1 3.58Å; Y507-I542 HydrophobicContact CE1-CD1 4.04Å; Y507-I542 HydrophobicContact CG-CD1 4.04Å; L531-I542 HydrophobicContact CD1-CD1 4.43Å; L531-I542 HydrophobicContact CD1-CG1 4.36Å; L531-I542 HydrophobicContact CD2-CG1 4.07Å; L531-I542 HydrophobicContact CD2-CG2 3.93Å; E538-I542 WeakPolarHBondContact O-CG1 3.22Å; E538-I542 PolarHBondContact O-N 3.34Å; Q540-I542 PolarHBondContact O-N 2.91Å; I542-E544 VanDerWaalsContact C-N 3.35Å; I542-E544 PolarHBondContact O-N 3.02Å; I542-R545 PolarHBondContact O-N 3.18Å; I542-L546 HydrophobicContact CG2-CD1 3.73Å; I542-L546 HydrophobicContact CG2-CG 4.05Å; I542-L546 WeakPolarHBondContact O-CG 3.31Å; I542-L546 PolarHBondContact O-N 2.89Å; I542-M600 HydrophobicContact CB-CE 4.34Å; I542-M600 HydrophobicContact CG2-CE 4.14Å; I542-M600 HydrophobicContact CG2-SD 4.16Å; I542-V618 HydrophobicContact CD1-CG1 4.35Å
543	K	87.1	Confident	78.8	Confident	64 Å²	64	70.2 Å²	70.2	28%	0.278	34%	0.34	S	S	.	.	H	α-helix	trans	-56.3	-46.4	178.2	175.1	-171.2	173.9	168.3	0	112.4	S539 Q540 F541 L546 R547 M600 S602 T603	S539-K543 VanDerWaalsContact O-CB 3.27Å; S539-K543 WeakPolarHBondContact O-CB 3.47Å; S539-K543 PolarHBondContact O-N 3.39Å; Q540-K543 WeakPolarHBondContact O-CB 2.95Å; Q540-K543 PolarHBondContact O-N 3.45Å; F541-K543 PolarHBondContact O-N 3.48Å; K543-L546 PolarHBondContact O-N 2.79Å; K543-R547 WeakPolarHBondContact O-CG 3.47Å; K543-R547 PolarHBondContact O-N 3.44Å; K543-R547 VanDerWaalsContact O-N 3.17Å; K543-M600 HydrophobicContact CB-CE 4.24Å; K543-S602 WeakPolarHBondContact CG-O 3.49Å; K543-T603 WeakPolarHBondContact CD-O 3.41Å; K543-T603 WeakPolarHBondContact CE-O 3.41Å; K543-T603 PolarHBondContact NZ-O 2.73Å
544	E	84.3	Confident	77.7	Confident	108 Å²	108	74.4 Å²	74.4	51%	0.505	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-43.6	-178.9	-74.7	172.5	-176.3	0	0	111.8	Q540 F541 I542 R547	Q540-E544 WeakPolarHBondContact O-CG 2.98Å; Q540-E544 PolarHBondContact O-N 3.26Å; F541-E544 PolarHBondContact O-N 2.86Å; I542-E544 VanDerWaalsContact C-N 3.35Å; I542-E544 PolarHBondContact O-N 3.02Å; E544-R547 PolarHBondContact O-N 3.44Å
545	R	83.2	Confident	77.5	Confident	38 Å²	38	73.1 Å²	73.1	14%	0.143	36%	0.361	C	S	.	.	H	α-helix	trans	-63.8	-43.8	175.4	-68.8	-70	-170	166	6	112.3	E350 L509 F541 I542 R547 Q548 F549	E350-R545 VanDerWaalsContact CD-NH1 3.29Å; E350-R545 IonicContact OE1-CZ 2.67Å; E350-R545 VanDerWaalsContact OE1-CZ 3.28Å; E350-R545 IonicContact OE1-NH1 3.43Å; E350-R545 PolarHBondContact OE1-NH1 2.99Å; E350-R545 IonicContact OE1-NH2 3.51Å; E350-R545 PolarHBondContact OE1-NH2 3.43Å; E350-R545 IonicContact OE2-CZ 2.77Å; E350-R545 IonicContact OE2-NH1 3.67Å; E350-R545 PolarHBondContact OE2-NH1 3.33Å; E350-R545 IonicContact OE2-NH2 2.86Å; E350-R545 PolarHBondContact OE2-NH2 2.93Å; L509-R545 HydrophobicContact CD2-CB 3.61Å; F541-R545 HydrophobicContact CE2-CG 4.2Å; F541-R545 HydrophobicContact CZ-CG 4.32Å; F541-R545 WeakPolarHBondContact O-CG 3.16Å; F541-R545 PolarHBondContact O-N 3.17Å; I542-R545 PolarHBondContact O-N 3.18Å; R545-R547 VanDerWaalsContact C-N 3.26Å; R545-R547 PolarHBondContact O-N 3.01Å; R545-Q548 WeakPolarHBondContact O-CB 3.25Å; R545-Q548 PolarHBondContact O-N 3.4Å; R545-Q548 VanDerWaalsContact O-N 3.1Å; R545-F549 WeakPolarHBondContact O-CD2 3.44Å
546	L	83	Confident	77.5	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-37.3	178.2	-69.2	176.2	0	0	0	112.1	L509 I542 K543 Q548 F549 S550 W556 V618	L509-L546 HydrophobicContact CD2-CD2 3.87Å; L509-L546 HydrophobicContact CD2-CG 4.31Å; I542-L546 HydrophobicContact CG2-CD1 3.73Å; I542-L546 HydrophobicContact CG2-CG 4.05Å; I542-L546 WeakPolarHBondContact O-CG 3.31Å; I542-L546 PolarHBondContact O-N 2.89Å; K543-L546 PolarHBondContact O-N 2.79Å; L546-Q548 VanDerWaalsContact C-N 3.26Å; L546-Q548 PolarHBondContact O-N 2.84Å; L546-F549 PolarHBondContact O-N 2.95Å; L546-F549 VanDerWaalsContact O-N 3.16Å; L546-S550 PolarHBondContact O-N 3.1Å; L546-S550 PolarHBondContact O-OG 3.36Å; L546-S550 VanDerWaalsContact O-OG 3.07Å; L546-W556 HydrophobicContact CD1-CG 4.21Å; L546-W556 HydrophobicContact CD2-CB 4.45Å; L546-W556 HydrophobicContact CD2-CD2 3.32Å; L546-W556 VanDerWaalsContact CD2-CE2 3.43Å; L546-W556 HydrophobicContact CD2-CE3 3.61Å; L546-W556 HydrophobicContact CD2-CG 3.67Å; L546-W556 HydrophobicContact CD2-CH2 4.1Å; L546-W556 HydrophobicContact CD2-CZ2 3.85Å; L546-W556 HydrophobicContact CD2-CZ3 3.98Å; L546-V618 HydrophobicContact CD2-CG2 4.28Å
547	R	78.8	Confident	77.7	Confident	166 Å²	166	63.8 Å²	63.8	63%	0.626	32%	0.32	S	S	*	.	H	α-helix	trans	-63	-30.2	177.5	-69.8	176.7	101.3	172.6	5.9	113.2	K543 E544 R545 F549 S550	K543-R547 WeakPolarHBondContact O-CG 3.47Å; K543-R547 PolarHBondContact O-N 3.44Å; K543-R547 VanDerWaalsContact O-N 3.17Å; E544-R547 PolarHBondContact O-N 3.44Å; R545-R547 VanDerWaalsContact C-N 3.26Å; R545-R547 PolarHBondContact O-N 3.01Å; R547-F549 VanDerWaalsContact C-N 3.27Å; R547-F549 PolarHBondContact O-N 3.46Å; R547-S550 PolarHBondContact O-N 2.81Å
548	Q	72.8	Confident	77.9	Confident	140 Å²	140	60 Å²	60	65%	0.654	30%	0.302	S	S	*	.	H	α-helix	trans	-68.8	-25.4	177.7	-64.4	177.4	-15	0	0	112.6	R545 L546	R545-Q548 WeakPolarHBondContact O-CB 3.25Å; R545-Q548 PolarHBondContact O-N 3.4Å; R545-Q548 VanDerWaalsContact O-N 3.1Å; L546-Q548 VanDerWaalsContact C-N 3.26Å; L546-Q548 PolarHBondContact O-N 2.84Å
549	F	67.9	Low	77.7	Confident	106 Å²	106	59.6 Å²	59.6	47%	0.465	30%	0.301	S	S	.	.	H	α-helix	trans	-92.8	-15.4	177.8	-70.5	-79.9	0	0	0	113.8	R545 L546 R547 L551 W556	R545-F549 WeakPolarHBondContact O-CD2 3.44Å; L546-F549 PolarHBondContact O-N 2.95Å; L546-F549 VanDerWaalsContact O-N 3.16Å; R547-F549 VanDerWaalsContact C-N 3.27Å; R547-F549 PolarHBondContact O-N 3.46Å; F549-L551 PolarHBondContact O-N 3.31Å; F549-W556 HydrophobicContact CB-CH2 4.36Å; F549-W556 HydrophobicContact CB-CZ2 4.26Å
550	S	57.1	Low	77.5	Confident	39 Å²	39	59.3 Å²	59.3	27%	0.273	30%	0.299	S	S	.	.			trans	-84.3	79.2	-170.1	-68.5	0	0	0	0	113.7	L546 R547 H553	L546-S550 PolarHBondContact O-N 3.1Å; L546-S550 PolarHBondContact O-OG 3.36Å; L546-S550 VanDerWaalsContact O-OG 3.07Å; R547-S550 PolarHBondContact O-N 2.81Å; S550-H553 PolarHBondContact OG-O 3.34Å
551	L	55.4	Low	77	Confident	185 Å²	185	55.9 Å²	55.9	97%	0.969	29%	0.286	S	S	*	.	S	Bend	trans	-95.5	2.5	158.7	-83.5	162.3	0	0	0	113.2	F549	F549-L551 PolarHBondContact O-N 3.31Å
552	G	52.2	Low	76.2	Confident	64 Å²	64	56.5 Å²	56.5	66%	0.66	29%	0.289	S	S	*	.	S	Bend	trans	-168.1	-23.9	-179.7	0	0	0	0	0	120
553	H	53.4	Low	75	Confident	114 Å²	114	57.6 Å²	57.6	53%	0.528	30%	0.3	S	S	.	.			trans	-114.1	137.2	-180	-63.5	-58.1	0	0	0	112.7	S550	S550-H553 PolarHBondContact OG-O 3.34Å
554	T	67.3	Low	73.7	Confident	88 Å²	88	58 Å²	58	54%	0.54	31%	0.309	S	S	.	.			trans	-103.3	-21.4	-165.7	54.8	0	0	0	0	115.2	S601 S602	T554-S601 CarbonylContact O-C 3.56Å; T554-S601 WeakPolarHBondContact O-CA 3.1Å; T554-S602 PolarHBondContact O-N 3.28Å; T554-S602 VanDerWaalsContact O-N 3.08Å
555	D	81.8	Confident	72.3	Confident	18 Å²	18	58.9 Å²	58.9	10%	0.096	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.2	-168.5	-65.3	-28.9	0	0	0	111.6	K609 H615	D555-K609 WeakPolarHBondContact OD2-CE 3.34Å; D555-K609 IonicContact OD2-NZ 3.26Å; D555-K609 PolarHBondContact OD2-NZ 2.97Å; D555-H615 WeakPolarHBondContact O-CB 3.3Å
556	W	88.1	Confident	70.9	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.008	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135	-174.5	-64.8	75.4	0	0	0	111.3	A510 N511 L546 F549 S599 M600 G616 V618	A510-W556 VanDerWaalsContact C-CZ3 3.47Å; A510-W556 VanDerWaalsContact O-CZ3 3.26Å; A510-W556 WeakPolarHBondContact O-CZ3 3.27Å; N511-W556 HydrophobicContact CB-CH2 3.8Å; N511-W556 HydrophobicContact CB-CZ2 4.5Å; N511-W556 HydrophobicContact CB-CZ3 4.5Å; L546-W556 HydrophobicContact CD1-CG 4.21Å; L546-W556 HydrophobicContact CD2-CB 4.45Å; L546-W556 HydrophobicContact CD2-CD2 3.32Å; L546-W556 VanDerWaalsContact CD2-CE2 3.43Å; L546-W556 HydrophobicContact CD2-CE3 3.61Å; L546-W556 HydrophobicContact CD2-CG 3.67Å; L546-W556 HydrophobicContact CD2-CH2 4.1Å; L546-W556 HydrophobicContact CD2-CZ2 3.85Å; L546-W556 HydrophobicContact CD2-CZ3 3.98Å; F549-W556 HydrophobicContact CB-CH2 4.36Å; F549-W556 HydrophobicContact CB-CZ2 4.26Å; W556-S599 CarbonylContact O-C 3.56Å; W556-S599 WeakPolarHBondContact O-CA 3.47Å; W556-M600 PolarHBondContact N-O 3.45Å; W556-M600 PolarHBondContact O-N 3.41Å; W556-G616 CarbonylContact C-O 3.46Å; W556-G616 VanDerWaalsContact CA-O 3.29Å; W556-G616 WeakPolarHBondContact CA-O 3.41Å; W556-V618 HydrophobicContact CE3-CG2 4.32Å
557	W	91.5	Very high	69.7	Low	0 Å²	0	65.9 Å²	65.9	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	133.4	179.9	-70.5	129.6	0	0	0	112.7	Y514 W516 L530 C597 L598 K609 K610 E613 H615 G616 V618	Y514-W557 PolarHBondContact O-NE1 3.28Å; W516-W557 HydrophobicContact CB-CD2 4.17Å; W516-W557 HydrophobicContact CB-CE3 4.48Å; W516-W557 HydrophobicContact CB-CZ2 4.38Å; W516-W557 AromaticContact CD1-CD2 3.85Å; W516-W557 AromaticContact CD1-CE3 3.7Å; W516-W557 HydrophobicContact CG-CD2 4.45Å; L530-W557 HydrophobicContact CD2-CB 4.24Å; W557-C597 HydrophobicContact CE3-CB 4.26Å; W557-C597 HydrophobicContact CH2-CB 4.15Å; W557-C597 HydrophobicContact CZ3-CB 3.7Å; W557-L598 VanDerWaalsContact CE3-O 3.28Å; W557-K609 HydrophobicContact CH2-CB 3.83Å; W557-K609 HydrophobicContact CZ3-CB 4.01Å; W557-K610 WeakPolarHBondContact CH2-O 3.03Å; W557-E613 HydrophobicContact CH2-CB 4.38Å; W557-E613 HydrophobicContact CZ2-CB 4.06Å; W557-E613 WeakPolarHBondContact CZ2-O 3.49Å; W557-H615 HydrophobicContact CD2-CB 4.26Å; W557-H615 AromaticContact CE2-CD2 3.68Å; W557-H615 HydrophobicContact CG-CB 4.23Å; W557-H615 AromaticContact CH2-CD2 3.79Å; W557-H615 AromaticContact CZ2-CD2 3.45Å; W557-H615 VanDerWaalsContact CZ2-CD2 3.45Å; W557-H615 WeakPolarHBondContact CZ2-CD2 3.36Å; W557-G616 PolarHBondContact N-O 3.25Å; W557-V618 PolarHBondContact O-N 3.45Å
558	I	89.8	Confident	68.8	Low	1 Å²	1	66.2 Å²	66.2	1%	0.005	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	164.9	172.8	63.9	171.8	0	0	0	110.7	W516 L531 L560 W571 L598 M600 W606	W516-I558 PolarHBondContact NE1-O 3.27Å; L531-I558 HydrophobicContact CB-CG2 4.39Å; L531-I558 HydrophobicContact CD2-CG2 3.96Å; I558-L560 PolarHBondContact O-N 2.6Å; I558-L560 VanDerWaalsContact O-N 3.15Å; I558-W571 HydrophobicContact CD1-CH2 4.38Å; I558-W571 HydrophobicContact CD1-CZ3 4.32Å; I558-L598 HydrophobicContact CD1-CB 4.06Å; I558-L598 HydrophobicContact CD1-CD2 4.41Å; I558-L598 HydrophobicContact CG1-CB 3.8Å; I558-L598 WeakPolarHBondContact CG1-O 3.48Å; I558-L598 PolarHBondContact N-O 3.31Å; I558-M600 HydrophobicContact CG2-CB 3.7Å; I558-W606 HydrophobicContact CD1-CD2 4.22Å; I558-W606 HydrophobicContact CD1-CG 4.21Å
559	G	86.2	Confident	68.6	Low	0 Å²	0	62.2 Å²	62.2	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	2	-167.5	0	0	0	0	0	116.6	L531 W571 S572	L531-G559 PolarHBondContact O-N 2.95Å; G559-W571 CarbonylContact O-C 3.52Å; G559-S572 WeakPolarHBondContact O-CB 3.41Å; G559-S572 PolarHBondContact O-N 2.92Å
560	L	83.4	Confident	68.8	Low	1 Å²	1	62.5 Å²	62.5	1%	0.005	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	128.8	179.2	-154.7	76.3	0	0	0	110.5	I558 V569 W571 I577 W582 L598	I558-L560 PolarHBondContact O-N 2.6Å; I558-L560 VanDerWaalsContact O-N 3.15Å; L560-V569 HydrophobicContact CD1-CG1 3.99Å; L560-V569 HydrophobicContact CD2-CG1 3.82Å; L560-V569 HydrophobicContact CG-CG1 3.77Å; L560-W571 HydrophobicContact CB-CD2 4.45Å; L560-W571 HydrophobicContact CB-CE3 3.79Å; L560-W571 HydrophobicContact CB-CH2 4.25Å; L560-W571 HydrophobicContact CB-CZ3 3.68Å; L560-W571 HydrophobicContact CD1-CD2 3.53Å; L560-W571 HydrophobicContact CD1-CE3 3.75Å; L560-W571 HydrophobicContact CD1-CG 3.95Å; L560-W571 HydrophobicContact CD1-CH2 4.38Å; L560-W571 HydrophobicContact CD1-CZ2 4.21Å; L560-W571 HydrophobicContact CD1-CZ3 4.18Å; L560-W571 HydrophobicContact CG-CE3 4.42Å; L560-I577 HydrophobicContact CD1-CD1 3.74Å; L560-I577 HydrophobicContact CD1-CG1 3.95Å; L560-I577 HydrophobicContact CD2-CD1 4.43Å; L560-W582 HydrophobicContact CD2-CH2 4.4Å; L560-L598 HydrophobicContact CB-CB 4.16Å; L560-L598 HydrophobicContact CB-CD1 4.01Å; L560-L598 HydrophobicContact CB-CD2 3.94Å; L560-L598 HydrophobicContact CB-CG 4.24Å; L560-L598 HydrophobicContact CD2-CD1 3.96Å; L560-L598 HydrophobicContact CD2-CD2 3.4Å; L560-L598 VanDerWaalsContact CD2-CD2 3.4Å; L560-L598 HydrophobicContact CD2-CG 4.26Å; L560-L598 HydrophobicContact CG-CD1 4.17Å; L560-L598 HydrophobicContact CG-CD2 4.2Å; L560-L598 WeakPolarHBondContact O-CD1 3.46Å; L560-L598 PolarHBondContact O-N 2.73Å
561	S	77.6	Confident	70.1	Confident	29 Å²	29	60.8 Å²	60.8	20%	0.203	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	152.2	177.9	62.9	0	0	0	0	111.6
562	F	71.1	Confident	71.4	Confident	23 Å²	23	53 Å²	53	10%	0.101	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-91.8	118	173.7	-64.8	-80.6	0	0	0	109.4	V569 L587 T596 L598 V608	F562-V569 HydrophobicContact CD1-CG1 4.4Å; F562-V569 HydrophobicContact CD1-CG2 3.67Å; F562-V569 HydrophobicContact CE1-CG1 4.24Å; F562-V569 HydrophobicContact CE1-CG2 3.63Å; F562-L587 HydrophobicContact CE1-CD2 3.93Å; F562-L587 HydrophobicContact CZ-CD2 3.91Å; F562-L587 HydrophobicContact CZ-CG 4.47Å; F562-T596 VanDerWaalsContact CD2-OG1 3.32Å; F562-T596 WeakPolarHBondContact CD2-OG1 3.43Å; F562-L598 HydrophobicContact CD2-CD1 4.06Å; F562-L598 HydrophobicContact CE2-CD1 3.44Å; F562-L598 VanDerWaalsContact CE2-CD1 3.44Å; F562-L598 HydrophobicContact CZ-CD1 4.04Å; F562-V608 HydrophobicContact CE2-CG1 4.25Å; F562-V608 HydrophobicContact CE2-CG2 4.18Å
563	G	62.5	Low	72.7	Confident	23 Å²	23	51.5 Å²	51.5	24%	0.237	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-67.8	173	173.4	0	0	0	0	0	113
564	P	61	Low	74	Confident	72 Å²	72	54.6 Å²	54.6	47%	0.468	31%	0.31	S	S	.	.	S	Bend	trans	-55.8	155.1	169.6	23.1	-31.6	0	0	0	111.4	G566 E567	P564-G566 PolarHBondContact O-N 3.22Å; P564-E567 WeakPolarHBondContact CD-OE2 3.39Å; P564-E567 PolarHBondContact O-N 3.15Å
565	P	54.5	Low	74.7	Confident	127 Å²	127	52 Å²	52	83%	0.825	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	114.6	-175.1	20.6	-30.9	0	0	0	111.3
566	G	53.9	Low	74.7	Confident	86 Å²	86	59.3 Å²	59.3	89%	0.887	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.9	-16.8	-176	0	0	0	0	0	114.7	P564	P564-G566 PolarHBondContact O-N 3.22Å
567	E	57.3	Low	74.4	Confident	99 Å²	99	61.8 Å²	61.8	46%	0.463	34%	0.341	S	S	.	.	S	Bend	trans	-93.4	139.8	169.6	-79.9	-170.4	148.5	0	0	111.9	P564 R570	P564-E567 WeakPolarHBondContact CD-OE2 3.39Å; P564-E567 PolarHBondContact O-N 3.15Å; E567-R570 IonicContact OE1-CZ 3.67Å; E567-R570 IonicContact OE1-NH2 3.36Å; E567-R570 PolarHBondContact OE1-NH2 2.03Å; E567-R570 IonicContact OE2-CZ 2.7Å; E567-R570 IonicContact OE2-NH2 3.03Å; E567-R570 PolarHBondContact OE2-NH2 3.45Å
568	E	60.3	Low	74	Confident	174 Å²	174	66.8 Å²	66.8	81%	0.813	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-68.2	153.5	175.2	-65.3	-175.9	164.8	0	0	111.8	R570	E568-R570 PolarHBondContact O-N 3.48Å
569	V	69.1	Low	73.7	Confident	55 Å²	55	68.4 Å²	68.4	33%	0.333	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-66.1	127.2	174.4	-171.3	0	0	0	0	108	L560 F562 I577	L560-V569 HydrophobicContact CD1-CG1 3.99Å; L560-V569 HydrophobicContact CD2-CG1 3.82Å; L560-V569 HydrophobicContact CG-CG1 3.77Å; F562-V569 HydrophobicContact CD1-CG1 4.4Å; F562-V569 HydrophobicContact CD1-CG2 3.67Å; F562-V569 HydrophobicContact CE1-CG1 4.24Å; F562-V569 HydrophobicContact CE1-CG2 3.63Å; V569-I577 HydrophobicContact CB-CD1 3.87Å; V569-I577 HydrophobicContact CG1-CD1 3.72Å; V569-I577 WeakPolarHBondContact O-CD1 3.16Å
570	R	72.1	Confident	73.6	Confident	113 Å²	113	73.7 Å²	73.7	43%	0.426	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	152.6	-177.8	56.8	-179.2	156.4	-178.9	-2.6	112.2	E567 E568	E567-R570 IonicContact OE1-CZ 3.67Å; E567-R570 IonicContact OE1-NH2 3.36Å; E567-R570 PolarHBondContact OE1-NH2 2.03Å; E567-R570 IonicContact OE2-CZ 2.7Å; E567-R570 IonicContact OE2-NH2 3.03Å; E567-R570 PolarHBondContact OE2-NH2 3.45Å; E568-R570 PolarHBondContact O-N 3.48Å
571	W	84.6	Confident	73.7	Confident	3 Å²	3	75.6 Å²	75.6	1%	0.011	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	154.1	169.8	-66.9	113.8	0	0	0	111.4	L531 I533 H534 I558 G559 L560 D573 K574 T575 E576 W606	L531-W571 VanDerWaalsContact O-CZ3 3.24Å; L531-W571 WeakPolarHBondContact O-CZ3 3.31Å; I533-W571 HydrophobicContact CB-CH2 4.26Å; I533-W571 HydrophobicContact CB-CZ2 4.47Å; I533-W571 HydrophobicContact CG1-CH2 4.43Å; H534-W571 AromaticContact CE1-NE1 3.96Å; I558-W571 HydrophobicContact CD1-CH2 4.38Å; I558-W571 HydrophobicContact CD1-CZ3 4.32Å; G559-W571 CarbonylContact O-C 3.52Å; L560-W571 HydrophobicContact CB-CD2 4.45Å; L560-W571 HydrophobicContact CB-CE3 3.79Å; L560-W571 HydrophobicContact CB-CH2 4.25Å; L560-W571 HydrophobicContact CB-CZ3 3.68Å; L560-W571 HydrophobicContact CD1-CD2 3.53Å; L560-W571 HydrophobicContact CD1-CE3 3.75Å; L560-W571 HydrophobicContact CD1-CG 3.95Å; L560-W571 HydrophobicContact CD1-CH2 4.38Å; L560-W571 HydrophobicContact CD1-CZ2 4.21Å; L560-W571 HydrophobicContact CD1-CZ3 4.18Å; L560-W571 HydrophobicContact CG-CE3 4.42Å; W571-D573 WeakPolarHBondContact CB-OD1 3.46Å; W571-D573 PolarHBondContact O-N 2.97Å; W571-K574 PolarHBondContact O-N 2.92Å; W571-T575 VanDerWaalsContact CD1-OG1 3.27Å; W571-E576 VanDerWaalsContact CD1-O 3.31Å; W571-E576 PolarHBondContact NE1-O 3.21Å; W571-W606 AromaticContact CH2-CH2 3.88Å; W571-W606 HydrophobicContact CH2-CH2 3.88Å; W571-W606 HydrophobicContact CH2-CZ2 4.25Å; W571-W606 HydrophobicContact CH2-CZ3 4.4Å; W571-W606 AromaticContact CZ2-CH2 3.89Å; W571-W606 HydrophobicContact CZ2-CH2 3.89Å; W571-W606 HydrophobicContact CZ2-CZ3 4.44Å
572	S	82.1	Confident	74	Confident	21 Å²	21	76.7 Å²	76.7	15%	0.147	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.4	179.4	73.7	0	0	0	0	114.3	H529 L530 G559	H529-S572 PolarHBondContact ND1-O 3.21Å; H529-S572 VanDerWaalsContact ND1-O 3.15Å; L530-S572 WeakPolarHBondContact CB-OG 3.48Å; L530-S572 PolarHBondContact N-OG 2.74Å; L530-S572 VanDerWaalsContact N-OG 3.12Å; L530-S572 PolarHBondContact O-OG 2.97Å; L530-S572 VanDerWaalsContact O-OG 3.11Å; G559-S572 WeakPolarHBondContact O-CB 3.41Å; G559-S572 PolarHBondContact O-N 2.92Å
573	D	80	Confident	74.4	Confident	32 Å²	32	77.5 Å²	77.5	17%	0.171	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	4.3	173.1	66.7	-7.2	0	0	0	113	H529 S532 W571 T575	H529-D573 HydrophobicContact CB-CB 3.89Å; S532-D573 WeakPolarHBondContact CB-OD2 3.42Å; S532-D573 PolarHBondContact OG-OD2 3.29Å; W571-D573 WeakPolarHBondContact CB-OD1 3.46Å; W571-D573 PolarHBondContact O-N 2.97Å; D573-T575 VanDerWaalsContact C-N 3.26Å; D573-T575 VanDerWaalsContact CG-OG1 3.31Å; D573-T575 PolarHBondContact O-N 2.82Å; D573-T575 WeakPolarHBondContact OD1-CB 3.47Å; D573-T575 WeakPolarHBondContact OD1-CG2 3.44Å; D573-T575 PolarHBondContact OD1-N 3.48Å; D573-T575 VanDerWaalsContact OD1-N 3.15Å; D573-T575 PolarHBondContact OD1-OG1 2.93Å; D573-T575 WeakPolarHBondContact OD2-CG2 3.37Å; D573-T575 PolarHBondContact OD2-OG1 3.31Å
574	K	80.4	Confident	74.5	Confident	179 Å²	179	84.7 Å²	84.7	78%	0.778	45%	0.453	S	S	*	.			trans	66.9	18	179.9	-49.6	176.1	-178.5	174.9	0	115.2	W571	W571-K574 PolarHBondContact O-N 2.92Å
575	T	82.3	Confident	74.4	Confident	34 Å²	34	84.1 Å²	84.1	21%	0.209	46%	0.46	C	S	.	.			trans	-77.6	160.8	172.9	57.3	0	0	0	0	111.8	H534 W571 D573	H534-T575 PolarHBondContact CE1-OG1 2.98Å; H534-T575 PolarHBondContact NE2-OG1 2.8Å; W571-T575 VanDerWaalsContact CD1-OG1 3.27Å; D573-T575 VanDerWaalsContact C-N 3.26Å; D573-T575 VanDerWaalsContact CG-OG1 3.31Å; D573-T575 PolarHBondContact O-N 2.82Å; D573-T575 WeakPolarHBondContact OD1-CB 3.47Å; D573-T575 WeakPolarHBondContact OD1-CG2 3.44Å; D573-T575 PolarHBondContact OD1-N 3.48Å; D573-T575 VanDerWaalsContact OD1-N 3.15Å; D573-T575 PolarHBondContact OD1-OG1 2.93Å; D573-T575 WeakPolarHBondContact OD2-CG2 3.37Å; D573-T575 PolarHBondContact OD2-OG1 3.31Å
576	E	81.1	Confident	74.6	Confident	171 Å²	171	80.3 Å²	80.3	80%	0.799	44%	0.444	S	S	*	.			trans	-75.7	160.4	177	-62.7	-171.1	172.9	0	0	112	H534 W571 D578	H534-E576 PolarHBondContact CE1-O 3.45Å; W571-E576 VanDerWaalsContact CD1-O 3.31Å; W571-E576 PolarHBondContact NE1-O 3.21Å; E576-D578 PolarHBondContact O-N 2.74Å
577	I	80.8	Confident	74.7	Confident	55 Å²	55	79.7 Å²	79.7	28%	0.282	42%	0.42	S	S	.	.			trans	-94.9	96.5	177.2	-52.2	170.8	0	0	0	109	L560 V569 Q580	L560-I577 HydrophobicContact CD1-CD1 3.74Å; L560-I577 HydrophobicContact CD1-CG1 3.95Å; L560-I577 HydrophobicContact CD2-CD1 4.43Å; V569-I577 HydrophobicContact CB-CD1 3.87Å; V569-I577 HydrophobicContact CG1-CD1 3.72Å; V569-I577 WeakPolarHBondContact O-CD1 3.16Å; I577-Q580 HydrophobicContact CG2-CG 3.84Å
578	D	83.5	Confident	74.5	Confident	105 Å²	105	79.8 Å²	79.8	56%	0.561	42%	0.424	S	S	*	.			trans	-102.2	-27.3	179.6	52.9	-6.4	0	0	0	113.1	H534 E576	H534-D578 WeakPolarHBondContact CA-OD1 3.35Å; H534-D578 IonicContact CE1-OD1 3.55Å; H534-D578 IonicContact CG-OD1 2.81Å; H534-D578 IonicContact CG-OD2 3.65Å; H534-D578 IonicContact ND1-OD1 3.73Å; H534-D578 PolarHBondContact ND1-OD1 3.06Å; H534-D578 IonicContact ND1-OD2 3.05Å; H534-D578 PolarHBondContact ND1-OD2 2.82Å; E576-D578 PolarHBondContact O-N 2.74Å
579	F	84.9	Confident	74.1	Confident	34 Å²	34	76 Å²	76	15%	0.149	42%	0.416	C	S	.	.			trans	-118.5	143.4	177.7	177.3	-98.4	0	0	0	112.2	I533 R536 N581 W606	I533-F579 HydrophobicContact CB-CD1 4.35Å; I533-F579 HydrophobicContact CG2-CD1 3.57Å; I533-F579 HydrophobicContact CG2-CE1 3.8Å; R536-F579 HydrophobicContact CB-CE2 4.02Å; F579-N581 HydrophobicContact CE1-CB 4Å; F579-N581 HydrophobicContact CZ-CB 4.06Å; F579-W606 HydrophobicContact CD1-CH2 4.04Å; F579-W606 AromaticContact CD1-CZ2 3.86Å; F579-W606 HydrophobicContact CD1-CZ2 3.86Å; F579-W606 AromaticContact CE1-CZ2 3.96Å; F579-W606 HydrophobicContact CE1-CZ2 3.96Å; F579-W606 WeakPolarHBondContact O-CH2 3.42Å
580	Q	83.9	Confident	73.2	Confident	112 Å²	112	79.3 Å²	79.3	52%	0.523	43%	0.432	S	S	.	.			trans	-144.3	137	-179.9	-60.4	-178.3	42.4	0	0	112.2	I577 W606	I577-Q580 HydrophobicContact CG2-CG 3.84Å; Q580-W606 HydrophobicContact CB-CZ3 4.25Å; Q580-W606 HydrophobicContact CG-CZ3 4.38Å
581	N	85.4	Confident	72.1	Confident	40 Å²	40	77.8 Å²	77.8	21%	0.214	43%	0.432	C	S	.	.			trans	-141.6	61.7	178.8	-167.1	23	0	0	0	113.9	F579 G604 K605 W606	F579-N581 HydrophobicContact CE1-CB 4Å; F579-N581 HydrophobicContact CZ-CB 4.06Å; N581-G604 PolarHBondContact ND2-O 3.09Å; N581-K605 WeakPolarHBondContact O-CA 3.46Å; N581-K605 WeakPolarHBondContact OD1-CD 3.17Å; N581-K605 PolarHBondContact OD1-NZ 3.43Å; N581-W606 HydrophobicContact CB-CD2 4.49Å; N581-W606 PolarHBondContact O-N 3.25Å
582	W	83.1	Confident	70.7	Confident	53 Å²	53	85 Å²	85	20%	0.201	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-63.8	147.8	-178.6	-56.1	104.5	0	0	0	114.1	L560 L587 L598 K605 W606 V608	L560-W582 HydrophobicContact CD2-CH2 4.4Å; W582-L587 HydrophobicContact CH2-CD1 3.5Å; W582-L587 VanDerWaalsContact CH2-CD1 3.5Å; W582-L587 HydrophobicContact CH2-CG 4.32Å; W582-L587 HydrophobicContact CZ2-CD1 3.39Å; W582-L587 HydrophobicContact CZ3-CD1 4.21Å; W582-L598 HydrophobicContact CH2-CD2 3.62Å; W582-L598 HydrophobicContact CZ3-CD2 3.59Å; W582-L598 HydrophobicContact CZ3-CG 4.42Å; W582-K605 WeakPolarHBondContact O-CD 3.06Å; W582-K605 PolarHBondContact O-NZ 2.97Å; W582-W606 HydrophobicContact CE3-CB 4.09Å; W582-W606 HydrophobicContact CZ2-CE3 4.43Å; W582-W606 HydrophobicContact CZ3-CB 4.44Å; W582-V608 HydrophobicContact CZ3-CG2 4.38Å
583	A	80	Confident	69.4	Low	39 Å²	39	90.9 Å²	90.9	32%	0.322	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-71.5	156.1	164.7	0	0	0	0	0	111.4	G585 G586 K605 W606	A583-G585 PolarHBondContact O-N 3.17Å; A583-G586 PolarHBondContact O-N 3.44Å; A583-K605 HydrophobicContact CB-CB 4.09Å; A583-W606 WeakPolarHBondContact CB-O 3.41Å; A583-W606 PolarHBondContact N-O 3.01Å
584	D	64.5	Low	68.3	Low	174 Å²	174	93.6 Å²	93.6	93%	0.93	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	123.8	-177.9	-64.6	-38.3	0	0	0	111.1
585	G	59.2	Low	67.6	Low	60 Å²	60	87.1 Å²	87.1	62%	0.619	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	121.6	-13.1	-174.8	0	0	0	0	0	115.3	A583	A583-G585 PolarHBondContact O-N 3.17Å
586	G	58.7	Low	67.4	Low	47 Å²	47	86.2 Å²	86.2	49%	0.485	49%	0.487	S	S	.	.			trans	58.5	-170.7	172.2	0	0	0	0	0	115.2	A583 N588	A583-G586 PolarHBondContact O-N 3.44Å; G586-N588 PolarHBondContact O-N 3.49Å
587	L	55.3	Low	67.6	Low	73 Å²	73	78.1 Å²	78.1	38%	0.382	45%	0.449	S	S	.	.			trans	-74.7	84	174.4	-120	137.3	0	0	0	109.2	F562 W582 S589 K592	F562-L587 HydrophobicContact CE1-CD2 3.93Å; F562-L587 HydrophobicContact CZ-CD2 3.91Å; F562-L587 HydrophobicContact CZ-CG 4.47Å; W582-L587 HydrophobicContact CH2-CD1 3.5Å; W582-L587 VanDerWaalsContact CH2-CD1 3.5Å; W582-L587 HydrophobicContact CH2-CG 4.32Å; W582-L587 HydrophobicContact CZ2-CD1 3.39Å; W582-L587 HydrophobicContact CZ3-CD1 4.21Å; L587-S589 PolarHBondContact O-N 3.11Å; L587-K592 HydrophobicContact CD2-CG 4.24Å
588	N	54.2	Low	67.9	Low	102 Å²	102	75.5 Å²	75.5	55%	0.545	44%	0.435	S	S	.	.			trans	-56.6	125.3	172.5	-102.2	-18.6	0	0	0	109.4	G586 D590 L591	G586-N588 PolarHBondContact O-N 3.49Å; N588-D590 PolarHBondContact O-N 3.31Å; N588-L591 HydrophobicContact CB-CD1 4.29Å; N588-L591 PolarHBondContact O-N 3.07Å
589	S	51.1	Low	68.1	Low	93 Å²	93	70.5 Å²	70.5	65%	0.65	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-55.6	-25.7	-173	56.6	0	0	0	0	113.8	L587 L591	L587-S589 PolarHBondContact O-N 3.11Å; S589-L591 VanDerWaalsContact C-N 3.3Å; S589-L591 PolarHBondContact O-N 2.85Å
590	D	49.3	Very low	68.3	Low	125 Å²	125	69 Å²	69	67%	0.668	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-75.9	-10.2	-179.1	-67.2	-28.3	0	0	0	114.9	N588 K593	N588-D590 PolarHBondContact O-N 3.31Å; D590-K593 WeakPolarHBondContact O-CE 3.02Å
591	L	50.6	Low	68.4	Low	81 Å²	81	64.6 Å²	64.6	42%	0.424	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-99.8	1	179.8	-74.8	163.2	0	0	0	114	N588 S589 K593 T596	N588-L591 HydrophobicContact CB-CD1 4.29Å; N588-L591 PolarHBondContact O-N 3.07Å; S589-L591 VanDerWaalsContact C-N 3.3Å; S589-L591 PolarHBondContact O-N 2.85Å; L591-K593 PolarHBondContact O-N 2.84Å; L591-T596 PolarHBondContact O-OG1 2.81Å
592	K	54.6	Low	68.2	Low	155 Å²	155	64.1 Å²	64.1	67%	0.674	38%	0.384	S	S	*	.			trans	-71.6	53.3	165.5	-70.1	-173.4	178.2	-176.2	0	111.1	L587	L587-K592 HydrophobicContact CD2-CG 4.24Å
593	K	55.5	Low	68.1	Low	145 Å²	145	65.4 Å²	65.4	63%	0.63	40%	0.397	S	S	*	.			trans	-107.7	132.9	176	-70.1	-177.5	-178.2	176.2	0	108.7	D590 L591 G595 T596	D590-K593 WeakPolarHBondContact O-CE 3.02Å; L591-K593 PolarHBondContact O-N 2.84Å; K593-G595 PolarHBondContact O-N 3.31Å; K593-G595 VanDerWaalsContact O-N 3.17Å; K593-T596 PolarHBondContact O-N 2.03Å; K593-T596 PolarHBondContact O-OG1 2.91Å
594	S	55.6	Low	68.2	Low	89 Å²	89	63.6 Å²	63.6	62%	0.622	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.6	120.4	168.9	-178.4	0	0	0	0	109.7
595	G	65.7	Low	69.3	Low	43 Å²	43	59 Å²	59	44%	0.443	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.9	12.4	180	0	0	0	0	0	116.8	K593 C611	K593-G595 PolarHBondContact O-N 3.31Å; K593-G595 VanDerWaalsContact O-N 3.17Å; G595-C611 VanDerWaalsContact C-SG 3.51Å; G595-C611 PolarHBondContact O-N 2.86Å; G595-C611 PolarHBondContact O-SG 3.39Å
596	T	77.6	Confident	70.6	Confident	15 Å²	15	56.2 Å²	56.2	9%	0.092	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	142.2	170.2	54.7	0	0	0	0	111.9	F562 L591 K593 V608 K609	F562-T596 VanDerWaalsContact CD2-OG1 3.32Å; F562-T596 WeakPolarHBondContact CD2-OG1 3.43Å; L591-T596 PolarHBondContact O-OG1 2.81Å; K593-T596 PolarHBondContact O-N 2.03Å; K593-T596 PolarHBondContact O-OG1 2.91Å; T596-V608 HydrophobicContact CG2-CG1 4.1Å; T596-K609 WeakPolarHBondContact CA-O 3.44Å
597	C	85.5	Confident	71.9	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.007	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156.5	-176.8	-71.6	0	0	0	0	110	W516 W557 K609 C611	W516-C597 HydrophobicContact CB-CB 4.08Å; W516-C597 HydrophobicContact CD2-CB 4.38Å; W516-C597 VanDerWaalsContact CD2-SG 3.56Å; W516-C597 HydrophobicContact CG-CB 3.78Å; W557-C597 HydrophobicContact CE3-CB 4.26Å; W557-C597 HydrophobicContact CH2-CB 4.15Å; W557-C597 HydrophobicContact CZ3-CB 3.7Å; C597-K609 PolarHBondContact N-O 3.33Å; C597-K609 PolarHBondContact O-N 3.07Å; C597-K609 VanDerWaalsContact O-O 3.09Å; C597-C611 HydrophobicContact CB-CB 3.94Å; C597-C611 WeakPolarHBondContact CB-SG 2.97Å; C597-C611 PolarHBondContact N-SG 3.14Å; C597-C611 WeakPolarHBondContact SG-CB 3.29Å; C597-C611 CovalentContact SG-SG 2.03Å; C597-C611 PolarHBondContact SG-SG 3.44Å
598	L	87	Confident	73.3	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	138	-178	-82.5	82.2	0	0	0	113	W557 I558 L560 F562 W582 W606	W557-L598 VanDerWaalsContact CE3-O 3.28Å; I558-L598 HydrophobicContact CD1-CB 4.06Å; I558-L598 HydrophobicContact CD1-CD2 4.41Å; I558-L598 HydrophobicContact CG1-CB 3.8Å; I558-L598 WeakPolarHBondContact CG1-O 3.48Å; I558-L598 PolarHBondContact N-O 3.31Å; L560-L598 HydrophobicContact CB-CB 4.16Å; L560-L598 HydrophobicContact CB-CD1 4.01Å; L560-L598 HydrophobicContact CB-CD2 3.94Å; L560-L598 HydrophobicContact CB-CG 4.24Å; L560-L598 HydrophobicContact CD2-CD1 3.96Å; L560-L598 HydrophobicContact CD2-CD2 3.4Å; L560-L598 VanDerWaalsContact CD2-CD2 3.4Å; L560-L598 HydrophobicContact CD2-CG 4.26Å; L560-L598 HydrophobicContact CG-CD1 4.17Å; L560-L598 HydrophobicContact CG-CD2 4.2Å; L560-L598 WeakPolarHBondContact O-CD1 3.46Å; L560-L598 PolarHBondContact O-N 2.73Å; F562-L598 HydrophobicContact CD2-CD1 4.06Å; F562-L598 HydrophobicContact CE2-CD1 3.44Å; F562-L598 VanDerWaalsContact CE2-CD1 3.44Å; F562-L598 HydrophobicContact CZ-CD1 4.04Å; W582-L598 HydrophobicContact CH2-CD2 3.62Å; W582-L598 HydrophobicContact CZ3-CD2 3.59Å; W582-L598 HydrophobicContact CZ3-CG 4.42Å; L598-W606 HydrophobicContact CD2-CB 4.48Å; L598-W606 HydrophobicContact CD2-CE3 4.36Å
599	S	88.1	Confident	74.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.6	171	64.7	0	0	0	0	111.1	W556 W606 S607 K609	W556-S599 CarbonylContact O-C 3.56Å; W556-S599 WeakPolarHBondContact O-CA 3.47Å; S599-W606 WeakPolarHBondContact O-CA 3.48Å; S599-S607 PolarHBondContact N-O 3.34Å; S599-S607 PolarHBondContact O-N 2.89Å; S599-S607 PolarHBondContact OG-O 2.87Å; S599-S607 PolarHBondContact OG-OG 3.13Å; S599-S607 VanDerWaalsContact OG-OG 3.06Å; S599-K609 VanDerWaalsContact OG-CG 3.25Å; S599-K609 WeakPolarHBondContact OG-CG 2.99Å
600	M	89.2	Confident	76.3	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.4	173.3	-179.5	174.7	174.8	0	0	109.2	I533 S539 I542 K543 W556 I558 G604 K605	I533-M600 HydrophobicContact CD1-SD 3.77Å; S539-M600 WeakPolarHBondContact O-CE 3.48Å; I542-M600 HydrophobicContact CB-CE 4.34Å; I542-M600 HydrophobicContact CG2-CE 4.14Å; I542-M600 HydrophobicContact CG2-SD 4.16Å; K543-M600 HydrophobicContact CB-CE 4.24Å; W556-M600 PolarHBondContact N-O 3.45Å; W556-M600 PolarHBondContact O-N 3.41Å; I558-M600 HydrophobicContact CG2-CB 3.7Å; M600-G604 VanDerWaalsContact CE-CA 3.42Å; M600-K605 WeakPolarHBondContact CA-O 3.21Å
601	S	86.4	Confident	78.1	Confident	20 Å²	20	48.3 Å²	48.3	14%	0.14	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	168.8	176.7	70.4	0	0	0	0	112.4	T554 T603 G604 K605	T554-S601 CarbonylContact O-C 3.56Å; T554-S601 WeakPolarHBondContact O-CA 3.1Å; S601-T603 PolarHBondContact O-N 3.17Å; S601-T603 PolarHBondContact OG-N 2.83Å; S601-T603 PolarHBondContact OG-OG1 2.74Å; S601-G604 WeakPolarHBondContact O-CA 3.32Å; S601-G604 PolarHBondContact O-N 3.29Å; S601-K605 PolarHBondContact N-O 3.32Å; S601-K605 PolarHBondContact OG-N 3.32Å; S601-K605 PolarHBondContact OG-O 2.55Å
602	S	81.3	Confident	79.7	Confident	31 Å²	31	48.9 Å²	48.9	22%	0.217	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-11.2	173.8	64.5	0	0	0	0	114.6	K543 T554 G604	K543-S602 WeakPolarHBondContact CG-O 3.49Å; T554-S602 PolarHBondContact O-N 3.28Å; T554-S602 VanDerWaalsContact O-N 3.08Å; S602-G604 VanDerWaalsContact C-N 3.34Å
603	T	80.3	Confident	81.3	Confident	79 Å²	79	44.4 Å²	44.4	49%	0.485	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-6.6	171.4	64.8	0	0	0	0	113	K543 S601	K543-T603 WeakPolarHBondContact CD-O 3.41Å; K543-T603 WeakPolarHBondContact CE-O 3.41Å; K543-T603 PolarHBondContact NZ-O 2.73Å; S601-T603 PolarHBondContact O-N 3.17Å; S601-T603 PolarHBondContact OG-N 2.83Å; S601-T603 PolarHBondContact OG-OG1 2.74Å
604	G	82.8	Confident	82.8	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.01	25%	0.248	C	C	.	.	S	Bend	trans	86.3	7.3	-177.2	0	0	0	0	0	114.5	N581 M600 S601 S602	N581-G604 PolarHBondContact ND2-O 3.09Å; M600-G604 VanDerWaalsContact CE-CA 3.42Å; S601-G604 WeakPolarHBondContact O-CA 3.32Å; S601-G604 PolarHBondContact O-N 3.29Å; S602-G604 VanDerWaalsContact C-N 3.34Å
605	K	86.5	Confident	84.3	Confident	77 Å²	77	39.8 Å²	39.8	34%	0.335	23%	0.226	S	C	.	.			trans	-88.5	141.1	-176.2	-68.9	-63.1	-166.9	173.9	0	111.9	N581 W582 A583 M600 S601	N581-K605 WeakPolarHBondContact O-CA 3.46Å; N581-K605 WeakPolarHBondContact OD1-CD 3.17Å; N581-K605 PolarHBondContact OD1-NZ 3.43Å; W582-K605 WeakPolarHBondContact O-CD 3.06Å; W582-K605 PolarHBondContact O-NZ 2.97Å; A583-K605 HydrophobicContact CB-CB 4.09Å; M600-K605 WeakPolarHBondContact CA-O 3.21Å; S601-K605 PolarHBondContact N-O 3.32Å; S601-K605 PolarHBondContact OG-N 3.32Å; S601-K605 PolarHBondContact OG-O 2.55Å
606	W	88.1	Confident	85.4	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.5	-177.1	-55.5	-9.3	0	0	0	111.3	I533 I558 W571 F579 Q580 N581 W582 A583 L598 S599	I533-W606 HydrophobicContact CB-CZ2 4.07Å; I533-W606 HydrophobicContact CD1-CZ2 3.92Å; I533-W606 HydrophobicContact CG1-CZ2 4.48Å; I533-W606 HydrophobicContact CG2-CZ2 4.39Å; I558-W606 HydrophobicContact CD1-CD2 4.22Å; I558-W606 HydrophobicContact CD1-CG 4.21Å; W571-W606 AromaticContact CH2-CH2 3.88Å; W571-W606 HydrophobicContact CH2-CH2 3.88Å; W571-W606 HydrophobicContact CH2-CZ2 4.25Å; W571-W606 HydrophobicContact CH2-CZ3 4.4Å; W571-W606 AromaticContact CZ2-CH2 3.89Å; W571-W606 HydrophobicContact CZ2-CH2 3.89Å; W571-W606 HydrophobicContact CZ2-CZ3 4.44Å; F579-W606 HydrophobicContact CD1-CH2 4.04Å; F579-W606 AromaticContact CD1-CZ2 3.86Å; F579-W606 HydrophobicContact CD1-CZ2 3.86Å; F579-W606 AromaticContact CE1-CZ2 3.96Å; F579-W606 HydrophobicContact CE1-CZ2 3.96Å; F579-W606 WeakPolarHBondContact O-CH2 3.42Å; Q580-W606 HydrophobicContact CB-CZ3 4.25Å; Q580-W606 HydrophobicContact CG-CZ3 4.38Å; N581-W606 HydrophobicContact CB-CD2 4.49Å; N581-W606 PolarHBondContact O-N 3.25Å; W582-W606 HydrophobicContact CE3-CB 4.09Å; W582-W606 HydrophobicContact CZ2-CE3 4.43Å; W582-W606 HydrophobicContact CZ3-CB 4.44Å; A583-W606 WeakPolarHBondContact CB-O 3.41Å; A583-W606 PolarHBondContact N-O 3.01Å; L598-W606 HydrophobicContact CD2-CB 4.48Å; L598-W606 HydrophobicContact CD2-CE3 4.36Å; S599-W606 WeakPolarHBondContact O-CA 3.48Å
607	S	85.4	Confident	86	Confident	31 Å²	31	38 Å²	38	22%	0.217	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.9	176.8	74.7	0	0	0	0	111.4	S599 K609	S599-S607 PolarHBondContact N-O 3.34Å; S599-S607 PolarHBondContact O-N 2.89Å; S599-S607 PolarHBondContact OG-O 2.87Å; S599-S607 PolarHBondContact OG-OG 3.13Å; S599-S607 VanDerWaalsContact OG-OG 3.06Å; S607-K609 VanDerWaalsContact OG-CE 3.24Å; S607-K609 WeakPolarHBondContact OG-CE 3.45Å
608	V	83.8	Confident	86.2	Confident	36 Å²	36	38 Å²	38	22%	0.218	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	128	179.2	-176.6	0	0	0	0	109.2	F562 W582 T596	F562-V608 HydrophobicContact CE2-CG1 4.25Å; F562-V608 HydrophobicContact CE2-CG2 4.18Å; W582-V608 HydrophobicContact CZ3-CG2 4.38Å; T596-V608 HydrophobicContact CG2-CG1 4.1Å
609	K	84.4	Confident	86.4	Confident	57 Å²	57	38 Å²	38	25%	0.248	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	167.3	-179.1	-59.6	-69.7	-174.9	144.9	0	110.5	D555 W557 T596 C597 S599 S607	D555-K609 WeakPolarHBondContact OD2-CE 3.34Å; D555-K609 IonicContact OD2-NZ 3.26Å; D555-K609 PolarHBondContact OD2-NZ 2.97Å; W557-K609 HydrophobicContact CH2-CB 3.83Å; W557-K609 HydrophobicContact CZ3-CB 4.01Å; T596-K609 WeakPolarHBondContact CA-O 3.44Å; C597-K609 PolarHBondContact N-O 3.33Å; C597-K609 PolarHBondContact O-N 3.07Å; C597-K609 VanDerWaalsContact O-O 3.09Å; S599-K609 VanDerWaalsContact OG-CG 3.25Å; S599-K609 WeakPolarHBondContact OG-CG 2.99Å; S607-K609 VanDerWaalsContact OG-CE 3.24Å; S607-K609 WeakPolarHBondContact OG-CE 3.45Å
610	K	85.1	Confident	86.6	Confident	139 Å²	139	38.8 Å²	38.8	60%	0.604	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75	132.5	173.5	-64.9	177.9	-177.6	176	0	109.1	W557 S612 E613	W557-K610 WeakPolarHBondContact CH2-O 3.03Å; K610-S612 PolarHBondContact O-N 3.3Å; K610-E613 HydrophobicContact CB-CG 4.25Å; K610-E613 PolarHBondContact N-OE1 3.02Å; K610-E613 VanDerWaalsContact N-OE1 3.1Å; K610-E613 WeakPolarHBondContact O-CB 3.5Å; K610-E613 PolarHBondContact O-N 3.16Å
611	C	85.9	Confident	86.4	Confident	11 Å²	11	40.1 Å²	40.1	7%	0.074	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-16.6	-178.3	-58	0	0	0	0	114.4	W516 G595 C597	W516-C611 HydrophobicContact CB-CB 4.32Å; W516-C611 PolarHBondContact N-O 3.19Å; G595-C611 VanDerWaalsContact C-SG 3.51Å; G595-C611 PolarHBondContact O-N 2.86Å; G595-C611 PolarHBondContact O-SG 3.39Å; C597-C611 HydrophobicContact CB-CB 3.94Å; C597-C611 WeakPolarHBondContact CB-SG 2.97Å; C597-C611 PolarHBondContact N-SG 3.14Å; C597-C611 WeakPolarHBondContact SG-CB 3.29Å; C597-C611 CovalentContact SG-SG 2.03Å; C597-C611 PolarHBondContact SG-SG 3.44Å
612	S	84.4	Confident	86.1	Confident	94 Å²	94	46.1 Å²	46.1	66%	0.657	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-10.7	176.6	59.7	0	0	0	0	114.1	K610	K610-S612 PolarHBondContact O-N 3.3Å
613	E	87.9	Confident	85.6	Confident	60 Å²	60	49.2 Å²	49.2	28%	0.28	25%	0.251	S	S	.	.	S	Bend	trans	-67.4	156.7	175.3	-69	173.5	-141.8	0	0	111.1	N515 W557 K610 H615	N515-E613 WeakPolarHBondContact CA-O 3.4Å; W557-E613 HydrophobicContact CH2-CB 4.38Å; W557-E613 HydrophobicContact CZ2-CB 4.06Å; W557-E613 WeakPolarHBondContact CZ2-O 3.49Å; K610-E613 HydrophobicContact CB-CG 4.25Å; K610-E613 PolarHBondContact N-OE1 3.02Å; K610-E613 VanDerWaalsContact N-OE1 3.1Å; K610-E613 WeakPolarHBondContact O-CB 3.5Å; K610-E613 PolarHBondContact O-N 3.16Å; E613-H615 IonicContact OE2-CE1 2.71Å; E613-H615 IonicContact OE2-NE2 3.09Å; E613-H615 PolarHBondContact OE2-NE2 3.19Å
614	L	88.8	Confident	85.2	Confident	106 Å²	106	47.1 Å²	47.1	56%	0.555	24%	0.238	S	C	*	.			trans	-108.5	113.5	-178.4	-55.1	176.5	0	0	0	108.9	P513 Y514 N515	P513-L614 HydrophobicContact CB-CB 3.97Å; Y514-L614 WeakPolarHBondContact O-CA 3.18Å; N515-L614 HydrophobicContact CB-CD2 4.25Å
615	H	86.9	Confident	84.7	Confident	31 Å²	31	48.7 Å²	48.7	14%	0.144	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	161.1	-178.9	-66.1	-60.8	0	0	0	109.8	P513 Y514 D555 W557 E613	P513-H615 WeakPolarHBondContact CA-O 3.45Å; Y514-H615 PolarHBondContact N-O 3.4Å; Y514-H615 PolarHBondContact O-N 3.34Å; Y514-H615 VanDerWaalsContact O-N 3.15Å; D555-H615 WeakPolarHBondContact O-CB 3.3Å; W557-H615 HydrophobicContact CD2-CB 4.26Å; W557-H615 AromaticContact CE2-CD2 3.68Å; W557-H615 HydrophobicContact CG-CB 4.23Å; W557-H615 AromaticContact CH2-CD2 3.79Å; W557-H615 AromaticContact CZ2-CD2 3.45Å; W557-H615 VanDerWaalsContact CZ2-CD2 3.45Å; W557-H615 WeakPolarHBondContact CZ2-CD2 3.36Å; E613-H615 IonicContact OE2-CE1 2.71Å; E613-H615 IonicContact OE2-NE2 3.09Å; E613-H615 PolarHBondContact OE2-NE2 3.19Å
616	G	88	Confident	84.3	Confident	3 Å²	3	47.9 Å²	47.9	3%	0.031	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	168.2	166.8	0	0	0	0	0	110.4	A510 W556 W557	A510-G616 CarbonylContact O-C 3.6Å; A510-G616 VanDerWaalsContact O-CA 3.32Å; A510-G616 WeakPolarHBondContact O-CA 3.31Å; W556-G616 CarbonylContact C-O 3.46Å; W556-G616 VanDerWaalsContact CA-O 3.29Å; W556-G616 WeakPolarHBondContact CA-O 3.41Å; W557-G616 PolarHBondContact N-O 3.25Å
617	Y	89.6	Confident	83.9	Confident	19 Å²	19	48.4 Å²	48.4	8%	0.075	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	157.7	-175.6	59.5	-87.7	0	0	0	113.9	A510 Y514 V519	A510-Y617 HydrophobicContact CB-CD1 4.1Å; A510-Y617 HydrophobicContact CB-CD2 4.06Å; A510-Y617 HydrophobicContact CB-CE1 3.6Å; A510-Y617 HydrophobicContact CB-CE2 3.58Å; A510-Y617 HydrophobicContact CB-CG 4.31Å; A510-Y617 PolarHBondContact N-O 2.79Å; A510-Y617 PolarHBondContact O-N 2.98Å; Y514-Y617 AromaticContact CD2-CE1 3.96Å; Y514-Y617 HydrophobicContact CD2-CE1 3.96Å; V519-Y617 HydrophobicContact CB-CD1 4.45Å; V519-Y617 HydrophobicContact CB-CG 4.21Å; V519-Y617 HydrophobicContact CG1-CD1 4.03Å; V519-Y617 HydrophobicContact CG1-CD2 3.47Å; V519-Y617 VanDerWaalsContact CG1-CD2 3.47Å; V519-Y617 HydrophobicContact CG1-CE2 4.23Å; V519-Y617 HydrophobicContact CG1-CG 3.33Å; V519-Y617 HydrophobicContact CG2-CD1 3.55Å; V519-Y617 HydrophobicContact CG2-CD2 4.47Å; V519-Y617 HydrophobicContact CG2-CE1 4.11Å; V519-Y617 HydrophobicContact CG2-CG 3.76Å
618	V	91.3	Very high	83.3	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119.7	175	-170.9	0	0	0	0	109.7	L508 L509 L531 I542 L546 W556 W557	L508-V618 CarbonylContact O-C 3.51Å; L508-V618 VanDerWaalsContact O-CA 3.27Å; L508-V618 WeakPolarHBondContact O-CA 3.44Å; L509-V618 HydrophobicContact CD1-CG1 4.44Å; L509-V618 HydrophobicContact CG-CG1 4.31Å; L509-V618 HydrophobicContact CG-CG2 4.25Å; L531-V618 HydrophobicContact CB-CB 3.9Å; L531-V618 HydrophobicContact CB-CG1 4Å; L531-V618 WeakPolarHBondContact CB-O 3.3Å; L531-V618 HydrophobicContact CD1-CG1 4.28Å; L531-V618 HydrophobicContact CD2-CB 4.04Å; L531-V618 HydrophobicContact CD2-CG1 3.98Å; L531-V618 HydrophobicContact CD2-CG2 4.48Å; L531-V618 HydrophobicContact CG-CG1 4.31Å; L531-V618 PolarHBondContact N-O 3.35Å; I542-V618 HydrophobicContact CD1-CG1 4.35Å; L546-V618 HydrophobicContact CD2-CG2 4.28Å; W556-V618 HydrophobicContact CE3-CG2 4.32Å; W557-V618 PolarHBondContact O-N 3.45Å
619	C	91.3	Very high	82.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	146.7	169	-52.4	0	0	0	0	110	W499 Y507 L508 C523 A528 H529	W499-C619 HydrophobicContact CH2-CB 3.76Å; W499-C619 HydrophobicContact CZ3-CB 4.15Å; Y507-C619 CarbonylContact C-O 3.56Å; Y507-C619 VanDerWaalsContact CA-O 3.28Å; Y507-C619 WeakPolarHBondContact CA-O 3.21Å; L508-C619 HydrophobicContact CB-CB 4.18Å; L508-C619 PolarHBondContact N-O 3.27Å; L508-C619 PolarHBondContact O-N 3.07Å; C523-C619 HydrophobicContact CB-CB 3.8Å; C523-C619 WeakPolarHBondContact CB-SG 3.49Å; C523-C619 WeakPolarHBondContact SG-CB 3.25Å; C523-C619 CovalentContact SG-SG 2.04Å; C523-C619 PolarHBondContact SG-SG 3.29Å; A528-C619 HydrophobicContact CB-CB 4.17Å; H529-C619 CarbonylContact O-C 3.03Å; H529-C619 VanDerWaalsContact O-CA 3.24Å; H529-C619 WeakPolarHBondContact O-CA 3.41Å
620	K	90.8	Very high	80.9	Confident	16 Å²	16	49.6 Å²	49.6	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	135	175.5	178.2	-178.8	178	176.1	0	109.9	A505 E506 Y507 H529 L531 S532 E538	A505-K620 HydrophobicContact CB-CG 4.4Å; E506-K620 CarbonylContact O-C 3.55Å; E506-K620 WeakPolarHBondContact O-CA 3.4Å; Y507-K620 HydrophobicContact CD1-CB 4.16Å; Y507-K620 HydrophobicContact CD1-CG 4.2Å; Y507-K620 HydrophobicContact CE1-CB 4.15Å; Y507-K620 HydrophobicContact CE1-CD 3.75Å; Y507-K620 HydrophobicContact CE1-CG 3.77Å; H529-K620 PolarHBondContact N-O 2.52Å; H529-K620 PolarHBondContact O-N 2.77Å; L531-K620 HydrophobicContact CD1-CB 4.27Å; L531-K620 HydrophobicContact CD1-CD 4.21Å; S532-K620 WeakPolarHBondContact O-CD 3.46Å; S532-K620 PolarHBondContact O-NZ 3.12Å; E538-K620 WeakPolarHBondContact OE1-CE 3Å; E538-K620 IonicContact OE1-NZ 2.82Å; E538-K620 PolarHBondContact OE1-NZ 3.36Å; E538-K620 IonicContact OE2-NZ 2.67Å
621	R	86.4	Confident	79.2	Confident	28 Å²	28	49.5 Å²	49.5	11%	0.106	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	148.5	168	64.1	-179.1	177.7	-165.2	-4.8	111.1	Q495 W499 A505 E506 A528 T623 S625	Q495-R621 VanDerWaalsContact NE2-NH2 3.12Å; W499-R621 HydrophobicContact CE3-CG 4.13Å; W499-R621 HydrophobicContact CH2-CG 4.32Å; W499-R621 HydrophobicContact CZ3-CB 4.47Å; W499-R621 HydrophobicContact CZ3-CG 3.79Å; A505-R621 CarbonylContact C-O 3.45Å; A505-R621 WeakPolarHBondContact CA-O 3.45Å; E506-R621 HydrophobicContact CB-CG 3.9Å; E506-R621 PolarHBondContact N-O 2.9Å; E506-R621 PolarHBondContact O-N 3.31Å; E506-R621 IonicContact OE2-CZ 2.73Å; E506-R621 IonicContact OE2-NE 2.65Å; E506-R621 PolarHBondContact OE2-NE 3.36Å; E506-R621 IonicContact OE2-NH2 3.72Å; E506-R621 PolarHBondContact OE2-NH2 3.41Å; A528-R621 HydrophobicContact CB-CB 3.76Å; A528-R621 HydrophobicContact CB-CG 4.43Å; R621-T623 WeakPolarHBondContact CD-O 3.46Å; R621-T623 WeakPolarHBondContact CG-O 3.36Å; R621-T623 PolarHBondContact NE-O 2.86Å; R621-S625 PolarHBondContact NH1-OG 3.37Å; R621-S625 PolarHBondContact NH2-OG 3.36Å
622	R	78.8	Confident	76.9	Confident	146 Å²	146	56.3 Å²	56.3	55%	0.551	30%	0.298	S	S	*	.	S	Bend	trans	-91.5	-17.7	174.9	-62.7	-174	-175.8	-163.6	-0	112.6	V624	R622-V624 PolarHBondContact O-N 3.41Å
623	T	72.1	Confident	74.9	Confident	97 Å²	97	55.3 Å²	55.3	60%	0.595	29%	0.288	S	S	*	.	S	Bend	trans	-78.9	104.7	172.3	44.3	0	0	0	0	109	R621	R621-T623 WeakPolarHBondContact CD-O 3.46Å; R621-T623 WeakPolarHBondContact CG-O 3.36Å; R621-T623 PolarHBondContact NE-O 2.86Å
624	V	71.6	Confident	72.6	Confident	34 Å²	34	59.8 Å²	59.8	21%	0.206	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-72.9	130.2	176.2	-172.3	0	0	0	0	108.4	E365 K366 F501 E506 R622	E365-V624 HydrophobicContact CB-CB 4.41Å; E365-V624 HydrophobicContact CB-CG1 4.19Å; E365-V624 HydrophobicContact CB-CG2 4.27Å; E365-V624 VanDerWaalsContact O-CG1 3.23Å; E365-V624 WeakPolarHBondContact O-CG1 3.43Å; K366-V624 HydrophobicContact CD-CG1 4.38Å; K366-V624 HydrophobicContact CG-CG1 3.51Å; F501-V624 HydrophobicContact CD2-CG1 4.15Å; F501-V624 HydrophobicContact CD2-CG2 4.09Å; F501-V624 HydrophobicContact CE2-CG1 4.37Å; F501-V624 HydrophobicContact CE2-CG2 3.75Å; E506-V624 HydrophobicContact CG-CG1 4.2Å; R622-V624 PolarHBondContact O-N 3.41Å
625	S	72.4	Confident	70.6	Confident	35 Å²	35	63.4 Å²	63.4	25%	0.245	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-81.1	134.4	174.4	-70.7	0	0	0	0	111.5	Q495 E506 R621	Q495-S625 PolarHBondContact NE2-OG 3.29Å; E506-S625 PolarHBondContact OE2-N 2.82Å; R621-S625 PolarHBondContact NH1-OG 3.37Å; R621-S625 PolarHBondContact NH2-OG 3.36Å
626	V	77.6	Confident	68.9	Low	60 Å²	60	67 Å²	67	36%	0.364	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-70.6	136	173	-168.2	0	0	0	0	109.1	K366 L368 T493 E628	K366-V626 CarbonylContact O-C 3.5Å; K366-V626 VanDerWaalsContact O-CA 3.27Å; K366-V626 WeakPolarHBondContact O-CA 3.46Å; K366-V626 WeakPolarHBondContact O-CG1 3.43Å; L368-V626 HydrophobicContact CD2-CG1 3.76Å; L368-V626 HydrophobicContact CG-CG1 3.9Å; T493-V626 PolarHBondContact OG1-O 2.97Å; V626-E628 VanDerWaalsContact C-N 3.29Å; V626-E628 HydrophobicContact CG1-CB 4.27Å; V626-E628 WeakPolarHBondContact CG1-O 3.47Å
627	V	79.2	Confident	67.6	Low	13 Å²	13	67 Å²	67	8%	0.079	34%	0.336	C	S	.	.	S	Bend	trans	-85.5	-6.3	179.9	-61.9	0	0	0	0	113.3	F362 K366 V367 T493	F362-V627 HydrophobicContact CD1-CG2 4.08Å; F362-V627 HydrophobicContact CE1-CG2 4.01Å; K366-V627 HydrophobicContact CB-CG1 4.21Å; K366-V627 HydrophobicContact CD-CG1 4.19Å; K366-V627 WeakPolarHBondContact O-CG2 3.39Å; K366-V627 PolarHBondContact O-N 3.36Å; V367-V627 HydrophobicContact CG1-CG2 4.21Å; T493-V627 PolarHBondContact N-O 2.8Å; T493-V627 PolarHBondContact OG1-O 2.75Å; T493-V627 VanDerWaalsContact OG1-O 3.09Å
628	E	72.8	Confident	66.9	Low	11 Å²	11	66.3 Å²	66.3	5%	0.051	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-111.5	132.6	177.9	-55.8	-179.6	-125.5	0	0	107.9	V367 L368 R371 F379 W491 V626 P630	V367-E628 VanDerWaalsContact CB-OE1 3.28Å; V367-E628 WeakPolarHBondContact CB-OE1 3.49Å; L368-E628 HydrophobicContact CD1-CB 3.68Å; L368-E628 HydrophobicContact CG-CB 3.94Å; L368-E628 PolarHBondContact N-OE1 2.8Å; R371-E628 IonicContact CZ-OE1 3Å; R371-E628 IonicContact CZ-OE2 2.8Å; R371-E628 IonicContact NH1-OE1 3.65Å; R371-E628 PolarHBondContact NH1-OE1 3.36Å; R371-E628 IonicContact NH1-OE2 3.28Å; R371-E628 PolarHBondContact NH1-OE2 3.49Å; R371-E628 IonicContact NH2-OE1 2.71Å; R371-E628 IonicContact NH2-OE2 3.39Å; R371-E628 PolarHBondContact NH2-OE2 2.96Å; F379-E628 HydrophobicContact CE2-CG 4.31Å; W491-E628 WeakPolarHBondContact O-CA 3.38Å; V626-E628 VanDerWaalsContact C-N 3.29Å; V626-E628 HydrophobicContact CG1-CB 4.27Å; V626-E628 WeakPolarHBondContact CG1-O 3.47Å; E628-P630 VanDerWaalsContact O-CD 3.29Å; E628-P630 WeakPolarHBondContact O-CD 3.11Å
629	T	62.7	Low	66.3	Low	56 Å²	56	66.8 Å²	66.8	34%	0.344	34%	0.338	S	S	.	.			trans	-61.5	123.4	160.3	51.5	0	0	0	0	106.7	W491 T493 Q631	W491-T629 WeakPolarHBondContact CA-OG1 3.48Å; W491-T629 PolarHBondContact O-N 2.73Å; W491-T629 PolarHBondContact O-OG1 3.3Å; T493-T629 HydrophobicContact CG2-CG2 3.27Å; T629-Q631 PolarHBondContact O-N 3.2Å
630	P	56.3	Low	65.9	Low	81 Å²	81	69.6 Å²	69.6	53%	0.526	36%	0.356	S	S	.	.			trans	-49.1	117	162.7	-19.4	29.6	0	0	0	106.1	L368 E628 E632	L368-P630 HydrophobicContact CD2-CB 4.32Å; L368-P630 HydrophobicContact CD2-CG 4.11Å; E628-P630 VanDerWaalsContact O-CD 3.29Å; E628-P630 WeakPolarHBondContact O-CD 3.11Å; P630-E632 PolarHBondContact O-N 2.79Å
631	Q	47.8	Very low	65.2	Low	138 Å²	138	77.4 Å²	77.4	65%	0.645	39%	0.393	S	S	*	.			trans	-69.6	83.5	166.3	-166.1	175.6	15.3	0	0	103.9	T629 P633	T629-Q631 PolarHBondContact O-N 3.2Å; Q631-P633 WeakPolarHBondContact O-CD 3.26Å
632	E	38.4	Very low	64.7	Low	154 Å²	154	85.4 Å²	85.4	72%	0.72	43%	0.428	S	S	*	.			trans	-52.8	116.9	165.1	-74.9	-175	179	0	0	104.5	P630 H634	P630-E632 PolarHBondContact O-N 2.79Å; E632-H634 VanDerWaalsContact C-N 3.33Å; E632-H634 PolarHBondContact O-N 2.71Å
633	P	41.4	Very low	64.9	Low	72 Å²	72	79.9 Å²	79.9	47%	0.468	41%	0.407	S	S	.	.			trans	-65.5	112.1	173.1	-20.1	38	0	0	0	103.7	Q631 Y635 H648	Q631-P633 WeakPolarHBondContact O-CD 3.26Å; P633-Y635 PolarHBondContact O-N 3.07Å; P633-H648 WeakPolarHBondContact CB-CE1 3.49Å; P633-H648 WeakPolarHBondContact CB-NE2 3.47Å; P633-H648 WeakPolarHBondContact CG-NE2 3.42Å
634	H	41.5	Very low	65.4	Low	155 Å²	155	78.4 Å²	78.4	72%	0.718	40%	0.395	S	S	*	.	S	Bend	trans	-36.3	113.9	-171.6	-75.9	-103.6	0	0	0	111.1	E632	E632-H634 VanDerWaalsContact C-N 3.33Å; E632-H634 PolarHBondContact O-N 2.71Å
635	Y	45.9	Very low	65.7	Low	182 Å²	182	84.3 Å²	84.3	71%	0.714	42%	0.415	S	S	*	.			trans	64	105.3	171.5	-55.9	-83.8	0	0	0	116.6	P633 G637	P633-Y635 PolarHBondContact O-N 3.07Å; Y635-G637 PolarHBondContact O-N 2.83Å
636	I	51.9	Low	65.8	Low	106 Å²	106	84.8 Å²	84.8	54%	0.544	41%	0.413	S	S	.	.			trans	-64.4	113.2	160	-57.6	169.9	0	0	0	107.4	P788	I636-P788 HydrophobicContact CG2-CB 4.29Å
637	G	60.1	Low	65.5	Low	4 Å²	4	84 Å²	84	4%	0.041	42%	0.417	C	S	.	.			trans	-86.1	174.9	176.9	0	0	0	0	0	112.3	Y635 Q782 D783	Y635-G637 PolarHBondContact O-N 2.83Å; G637-Q782 VanDerWaalsContact N-OE1 3.09Å; G637-Q782 PolarHBondContact O-OE1 3.11Å; G637-D783 CarbonylContact C-O 3.5Å; G637-D783 WeakPolarHBondContact CA-O 3.37Å
638	A	73.9	Confident	65.1	Low	4 Å²	4	87.7 Å²	87.7	3%	0.033	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-80	139.9	175.2	0	0	0	0	0	112.2	D783 K786 T789	A638-D783 PolarHBondContact N-O 3.19Å; A638-D783 PolarHBondContact O-N 2.76Å; A638-K786 HydrophobicContact CB-CB 3.72Å; A638-T789 HydrophobicContact CB-CG2 3.83Å
639	C	80	Confident	65.6	Low	11 Å²	11	88.2 Å²	88.2	7%	0.074	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-90.8	143.3	162.5	-70.3	0	0	0	0	110.7	W643 C650 T789	C639-W643 HydrophobicContact CB-CB 4.18Å; C639-C650 WeakPolarHBondContact CA-SG 3.32Å; C639-C650 HydrophobicContact CB-CB 3.9Å; C639-C650 WeakPolarHBondContact CB-SG 3.23Å; C639-C650 WeakPolarHBondContact SG-CA 3.15Å; C639-C650 WeakPolarHBondContact SG-CB 3.37Å; C639-C650 CovalentContact SG-SG 2.04Å; C639-C650 PolarHBondContact SG-SG 2.92Å; C639-T789 PolarHBondContact N-OG1 2.74Å; C639-T789 VanDerWaalsContact N-OG1 3.16Å; C639-T789 PolarHBondContact O-OG1 2.62Å
640	P	81.8	Confident	66.7	Low	59 Å²	59	85.5 Å²	85.5	38%	0.383	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-62.4	158.3	174.9	-28.5	41.9	0	0	0	112.7	K642 W643	P640-K642 PolarHBondContact O-N 3.27Å; P640-W643 HydrophobicContact CB-CG 4.43Å; P640-W643 WeakPolarHBondContact O-CB 3.49Å; P640-W643 PolarHBondContact O-N 2.91Å
641	E	77.4	Confident	68.3	Low	180 Å²	180	82 Å²	82	84%	0.841	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	138.1	178	-68.3	-173.7	175.7	0	0	111.6	W643	E641-W643 PolarHBondContact O-N 3Å
642	K	75.4	Confident	70.2	Confident	195 Å²	195	76.9 Å²	76.9	85%	0.848	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	11.3	-176.5	-49.6	177.1	-179.4	177.9	0	115.5	P640	P640-K642 PolarHBondContact O-N 3.27Å
643	W	83.1	Confident	72.6	Confident	30 Å²	30	71.7 Å²	71.7	11%	0.114	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-98.2	138.8	165.4	-69.6	63.4	0	0	0	109.9	C639 P640 E641 C650 L651 L652 F675 C778 K780	C639-W643 HydrophobicContact CB-CB 4.18Å; P640-W643 HydrophobicContact CB-CG 4.43Å; P640-W643 WeakPolarHBondContact O-CB 3.49Å; P640-W643 PolarHBondContact O-N 2.91Å; E641-W643 PolarHBondContact O-N 3Å; W643-C650 HydrophobicContact CB-CB 4.27Å; W643-C650 HydrophobicContact CD2-CB 4.43Å; W643-C650 HydrophobicContact CE3-CB 3.76Å; W643-C650 WeakPolarHBondContact CZ3-O 3.42Å; W643-L651 CarbonylContact C-O 3.51Å; W643-L651 WeakPolarHBondContact CA-O 3.48Å; W643-L651 VanDerWaalsContact CE3-C 3.49Å; W643-L652 HydrophobicContact CD2-CB 3.73Å; W643-L652 HydrophobicContact CE3-CB 3.62Å; W643-L652 HydrophobicContact CH2-CB 3.61Å; W643-L652 HydrophobicContact CH2-CD2 4.14Å; W643-L652 HydrophobicContact CZ2-CB 3.7Å; W643-L652 HydrophobicContact CZ2-CD2 3.64Å; W643-L652 HydrophobicContact CZ2-CG 4.22Å; W643-L652 HydrophobicContact CZ3-CB 3.56Å; W643-F675 HydrophobicContact CH2-CB 4.04Å; W643-F675 HydrophobicContact CZ2-CB 3.72Å; W643-F675 HydrophobicContact CZ2-CD1 4.28Å; W643-F675 HydrophobicContact CZ2-CD2 4.4Å; W643-F675 AromaticContact CZ2-CG 3.9Å; W643-F675 HydrophobicContact CZ2-CG 3.9Å; W643-C778 HydrophobicContact CH2-CB 3.95Å; W643-C778 HydrophobicContact CZ3-CB 4.26Å; W643-K780 HydrophobicContact CE3-CD 4.24Å; W643-K780 HydrophobicContact CE3-CG 4.04Å; W643-K780 HydrophobicContact CH2-CD 3.85Å; W643-K780 HydrophobicContact CH2-CG 4.13Å; W643-K780 HydrophobicContact CZ2-CD 4.17Å; W643-K780 HydrophobicContact CZ3-CB 4.37Å; W643-K780 HydrophobicContact CZ3-CD 3.89Å; W643-K780 HydrophobicContact CZ3-CG 3.69Å
644	L	82.8	Confident	74.8	Confident	66 Å²	66	72.2 Å²	72.2	35%	0.346	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.2	174.5	-60	169	0	0	0	108.8	C650 L651 L694	L644-C650 CarbonylContact O-C 3.39Å; L644-C650 WeakPolarHBondContact O-CA 3.46Å; L644-L651 HydrophobicContact CB-CB 4.42Å; L644-L651 PolarHBondContact N-O 3.2Å; L644-L651 PolarHBondContact O-N 3.27Å; L644-L694 HydrophobicContact CD1-CD1 3.4Å; L644-L694 HydrophobicContact CD1-CD2 3.6Å; L644-L694 HydrophobicContact CD1-CG 4.09Å
645	Y	77.1	Confident	76.8	Confident	159 Å²	159	67.6 Å²	67.6	62%	0.624	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.1	174.6	80.5	-87.3	0	0	0	109.2
646	F	74.5	Confident	78.6	Confident	44 Å²	44	59.5 Å²	59.5	19%	0.193	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	123.5	170.3	-169.9	-91.7	0	0	0	108.6	H648 K649 L651 I686 E687 Y690	F646-H648 PolarHBondContact O-N 2.94Å; F646-K649 PolarHBondContact N-O 3.35Å; F646-K649 PolarHBondContact O-N 2.85Å; F646-K649 VanDerWaalsContact O-N 3.1Å; F646-L651 HydrophobicContact CB-CD1 4.18Å; F646-I686 HydrophobicContact CZ-CB 4.28Å; F646-I686 HydrophobicContact CZ-CG2 3.74Å; F646-E687 HydrophobicContact CD1-CB 4.48Å; F646-E687 HydrophobicContact CD1-CG 3.66Å; F646-E687 HydrophobicContact CE1-CB 4.06Å; F646-E687 HydrophobicContact CE1-CG 3.4Å; F646-Y690 HydrophobicContact CB-CD1 3.74Å; F646-Y690 HydrophobicContact CB-CE1 3.6Å; F646-Y690 HydrophobicContact CB-CG 4.49Å; F646-Y690 HydrophobicContact CD1-CD1 4.35Å; F646-Y690 AromaticContact CD2-CD1 3.37Å; F646-Y690 HydrophobicContact CD2-CD1 3.37Å; F646-Y690 AromaticContact CD2-CD2 3.47Å; F646-Y690 HydrophobicContact CD2-CD2 3.47Å; F646-Y690 VanDerWaalsContact CD2-CD2 3.47Å; F646-Y690 AromaticContact CD2-CE1 3.71Å; F646-Y690 HydrophobicContact CD2-CE1 3.71Å; F646-Y690 AromaticContact CD2-CE2 3.8Å; F646-Y690 HydrophobicContact CD2-CE2 3.8Å; F646-Y690 AromaticContact CD2-CG 3.23Å; F646-Y690 HydrophobicContact CD2-CG 3.23Å; F646-Y690 AromaticContact CD2-CZ 3.91Å; F646-Y690 HydrophobicContact CE2-CD1 4.05Å; F646-Y690 AromaticContact CE2-CD2 3.64Å; F646-Y690 HydrophobicContact CE2-CD2 3.64Å; F646-Y690 HydrophobicContact CE2-CE2 4.35Å; F646-Y690 AromaticContact CE2-CG 3.46Å; F646-Y690 HydrophobicContact CE2-CG 3.46Å; F646-Y690 VanDerWaalsContact CE2-CG 3.46Å; F646-Y690 AromaticContact CG-CD1 3.54Å; F646-Y690 HydrophobicContact CG-CD1 3.54Å; F646-Y690 HydrophobicContact CG-CD2 4.46Å; F646-Y690 AromaticContact CG-CE1 3.88Å; F646-Y690 HydrophobicContact CG-CE1 3.88Å; F646-Y690 AromaticContact CG-CG 3.86Å; F646-Y690 HydrophobicContact CG-CG 3.86Å; F646-Y690 HydrophobicContact CZ-CG 4.25Å
647	G	71.7	Confident	79.6	Confident	45 Å²	45	58 Å²	58	46%	0.464	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	-124.5	-171.2	0	0	0	0	0	112.4	Q782	G647-Q782 PolarHBondContact O-NE2 2.91Å
648	H	70.9	Confident	80.2	Confident	90 Å²	90	59.9 Å²	59.9	42%	0.417	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	13.4	178.2	-59.6	-70	0	0	0	114	P633 F646	P633-H648 WeakPolarHBondContact CB-CE1 3.49Å; P633-H648 WeakPolarHBondContact CB-NE2 3.47Å; P633-H648 WeakPolarHBondContact CG-NE2 3.42Å; F646-H648 PolarHBondContact O-N 2.94Å
649	K	82.3	Confident	80	Confident	21 Å²	21	64.1 Å²	64.1	9%	0.091	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151.7	-177.3	-60.8	172.2	-174.3	166.4	0	110.5	F646 L651 A681 E683 E687 Q782	F646-K649 PolarHBondContact N-O 3.35Å; F646-K649 PolarHBondContact O-N 2.85Å; F646-K649 VanDerWaalsContact O-N 3.1Å; K649-L651 HydrophobicContact CB-CD2 4.44Å; K649-A681 PolarHBondContact NZ-O 2.96Å; K649-E683 WeakPolarHBondContact CE-OE1 3.41Å; K649-E683 VanDerWaalsContact NZ-CD 3.26Å; K649-E683 IonicContact NZ-OE1 3.33Å; K649-E683 PolarHBondContact NZ-OE1 3.18Å; K649-E687 WeakPolarHBondContact CD-OE1 3.26Å; K649-E687 WeakPolarHBondContact CE-OE1 3.36Å; K649-E687 VanDerWaalsContact NZ-CD 3.26Å; K649-E687 IonicContact NZ-OE1 2.62Å; K649-E687 PolarHBondContact NZ-OE1 3.47Å; K649-E687 IonicContact NZ-OE2 2.96Å; K649-E687 PolarHBondContact NZ-OE2 3.04Å; K649-Q782 PolarHBondContact O-NE2 2.85Å
650	C	87.2	Confident	79.7	Confident	0 Å²	0	71 Å²	71	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.5	162.2	-58	0	0	0	0	108.2	C639 W643 L644 Q779 K780 Q782	C639-C650 WeakPolarHBondContact CA-SG 3.32Å; C639-C650 HydrophobicContact CB-CB 3.9Å; C639-C650 WeakPolarHBondContact CB-SG 3.23Å; C639-C650 WeakPolarHBondContact SG-CA 3.15Å; C639-C650 WeakPolarHBondContact SG-CB 3.37Å; C639-C650 CovalentContact SG-SG 2.04Å; C639-C650 PolarHBondContact SG-SG 2.92Å; W643-C650 HydrophobicContact CB-CB 4.27Å; W643-C650 HydrophobicContact CD2-CB 4.43Å; W643-C650 HydrophobicContact CE3-CB 3.76Å; W643-C650 WeakPolarHBondContact CZ3-O 3.42Å; L644-C650 CarbonylContact O-C 3.39Å; L644-C650 WeakPolarHBondContact O-CA 3.46Å; C650-Q779 CarbonylContact O-C 3.48Å; C650-Q779 VanDerWaalsContact O-CA 3.26Å; C650-Q779 WeakPolarHBondContact O-CA 3.47Å; C650-K780 HydrophobicContact CB-CG 3.89Å; C650-K780 PolarHBondContact N-O 2.85Å; C650-K780 PolarHBondContact O-N 2.86Å; C650-Q782 VanDerWaalsContact SG-CG 3.52Å
651	L	88.9	Confident	79.6	Confident	6 Å²	6	73.1 Å²	73.1	3%	0.031	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	136.7	-179.7	-58.1	178.2	0	0	0	110.6	W643 L644 F646 K649 V680 Y690 I691 V777 C778 Q779	W643-L651 CarbonylContact C-O 3.51Å; W643-L651 WeakPolarHBondContact CA-O 3.48Å; W643-L651 VanDerWaalsContact CE3-C 3.49Å; L644-L651 HydrophobicContact CB-CB 4.42Å; L644-L651 PolarHBondContact N-O 3.2Å; L644-L651 PolarHBondContact O-N 3.27Å; F646-L651 HydrophobicContact CB-CD1 4.18Å; K649-L651 HydrophobicContact CB-CD2 4.44Å; L651-V680 HydrophobicContact CD2-CG2 3.75Å; L651-Y690 HydrophobicContact CD1-CD1 4.17Å; L651-Y690 HydrophobicContact CD1-CE1 4.14Å; L651-I691 HydrophobicContact CD1-CG1 4.14Å; L651-V777 HydrophobicContact CB-CG1 4.48Å; L651-V777 HydrophobicContact CD2-CG1 4.42Å; L651-C778 CarbonylContact C-O 3.29Å; L651-C778 VanDerWaalsContact CA-O 3.3Å; L651-C778 WeakPolarHBondContact CA-O 3.46Å; L651-Q779 HydrophobicContact CD2-CB 3.85Å
652	L	88.3	Confident	79.9	Confident	31 Å²	31	65 Å²	65	16%	0.162	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	114.5	170.3	177.6	69.5	0	0	0	108.2	W643 F675 V777 C778	W643-L652 HydrophobicContact CD2-CB 3.73Å; W643-L652 HydrophobicContact CE3-CB 3.62Å; W643-L652 HydrophobicContact CH2-CB 3.61Å; W643-L652 HydrophobicContact CH2-CD2 4.14Å; W643-L652 HydrophobicContact CZ2-CB 3.7Å; W643-L652 HydrophobicContact CZ2-CD2 3.64Å; W643-L652 HydrophobicContact CZ2-CG 4.22Å; W643-L652 HydrophobicContact CZ3-CB 3.56Å; L652-F675 HydrophobicContact CD2-CD2 4.15Å; L652-F675 HydrophobicContact CD2-CE2 4.06Å; L652-V777 WeakPolarHBondContact O-CA 3.23Å; L652-C778 HydrophobicContact CB-CB 4.21Å; L652-C778 PolarHBondContact N-O 2.94Å; L652-C778 PolarHBondContact O-N 3.27Å
653	L	88	Confident	80.5	Confident	45 Å²	45	58.8 Å²	58.8	24%	0.236	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.5	174.9	175.3	62.5	0	0	0	109.6	L655 L694 L695 V702 V777	L653-L655 HydrophobicContact CD1-CD2 3.96Å; L653-L655 HydrophobicContact CD1-CG 3.97Å; L653-L655 HydrophobicContact CD2-CD1 3.99Å; L653-L655 HydrophobicContact CD2-CG 4.17Å; L653-L655 HydrophobicContact CG-CD1 4.35Å; L653-L655 HydrophobicContact CG-CG 3.98Å; L653-L694 HydrophobicContact CD2-CB 3.83Å; L653-L694 WeakPolarHBondContact CD2-O 3.5Å; L653-L695 HydrophobicContact CD1-CD2 3.57Å; L653-L695 HydrophobicContact CD2-CD2 4.15Å; L653-V702 HydrophobicContact CD1-CG1 4.08Å; L653-V777 HydrophobicContact CD1-CG2 3.72Å
654	H	87.1	Confident	80.9	Confident	83 Å²	83	58 Å²	58	38%	0.384	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	112.4	171.3	-174.2	-73.3	0	0	0	110	G775 F776	H654-G775 CarbonylContact O-C 3.42Å; H654-G775 WeakPolarHBondContact O-CA 3.17Å; H654-F776 HydrophobicContact CB-CD1 4.19Å; H654-F776 HydrophobicContact CB-CD2 4.3Å; H654-F776 HydrophobicContact CB-CE1 3.72Å; H654-F776 HydrophobicContact CB-CE2 3.86Å; H654-F776 HydrophobicContact CB-CG 4.44Å; H654-F776 HydrophobicContact CB-CZ 3.54Å; H654-F776 AromaticContact CG-CE1 3.67Å; H654-F776 AromaticContact CG-CZ 3.68Å; H654-F776 PolarHBondContact N-O 3.14Å; H654-F776 AromaticContact ND1-CE1 3.65Å; H654-F776 PolarHBondContact O-N 3.41Å
655	L	84.8	Confident	81.3	Confident	58 Å²	58	55.8 Å²	55.8	30%	0.304	31%	0.311	S	S	.	.			trans	-108	131.5	175.8	-66.3	174.2	0	0	0	109.8	L653 L695 V702	L653-L655 HydrophobicContact CD1-CD2 3.96Å; L653-L655 HydrophobicContact CD1-CG 3.97Å; L653-L655 HydrophobicContact CD2-CD1 3.99Å; L653-L655 HydrophobicContact CD2-CG 4.17Å; L653-L655 HydrophobicContact CG-CD1 4.35Å; L653-L655 HydrophobicContact CG-CG 3.98Å; L655-L695 HydrophobicContact CD2-CD2 3.92Å; L655-V702 HydrophobicContact CD2-CG1 3.72Å
656	P	83.2	Confident	81.9	Confident	12 Å²	12	54.5 Å²	54.5	8%	0.078	31%	0.308	C	S	.	.			trans	-73.9	143	177.6	31.7	-34.5	0	0	0	111	E661 V700	P656-E661 HydrophobicContact CB-CB 3.95Å; P656-V700 HydrophobicContact CG-CG1 3.86Å; P656-V700 HydrophobicContact CG-CG2 4.46Å
657	G	72.2	Confident	82.7	Confident	75 Å²	75	56.2 Å²	56.2	77%	0.773	32%	0.319	S	S	*	.	S	Bend	trans	-78.6	-21	176.7	0	0	0	0	0	113.3	E661	G657-E661 WeakPolarHBondContact CA-OE2 3.49Å; G657-E661 PolarHBondContact N-OE2 2.75Å
658	S	73.8	Confident	83.6	Confident	44 Å²	44	54 Å²	54	31%	0.308	30%	0.297	S	S	.	.	S	Bend	trans	-145.5	157.5	170.4	67.3	0	0	0	0	110.5	N660 E661	S658-N660 PolarHBondContact O-N 3.04Å; S658-N660 VanDerWaalsContact O-N 3.09Å; S658-E661 WeakPolarHBondContact O-CB 3.41Å; S658-E661 PolarHBondContact O-N 2.78Å
659	P	69.4	Low	84.5	Confident	93 Å²	93	51.5 Å²	51.5	60%	0.604	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-54.6	-32.1	-179.3	-27.1	35.1	0	0	0	113.9	E661 G662	P659-E661 PolarHBondContact O-N 3.34Å; P659-G662 PolarHBondContact O-N 3.28Å; P659-G662 VanDerWaalsContact O-N 3.09Å
660	N	73.8	Confident	84.9	Confident	156 Å²	156	53.9 Å²	53.9	83%	0.834	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-68.7	-18.2	178.6	-61.8	-12.2	0	0	0	113.4	S658	S658-N660 PolarHBondContact O-N 3.04Å; S658-N660 VanDerWaalsContact O-N 3.09Å
661	E	79.9	Confident	85.1	Confident	103 Å²	103	56 Å²	56	48%	0.481	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-90.4	-7.7	175.4	-67.6	173.5	-178.9	0	0	112.7	P656 G657 S658 P659 K663	P656-E661 HydrophobicContact CB-CB 3.95Å; G657-E661 WeakPolarHBondContact CA-OE2 3.49Å; G657-E661 PolarHBondContact N-OE2 2.75Å; S658-E661 WeakPolarHBondContact O-CB 3.41Å; S658-E661 PolarHBondContact O-N 2.78Å; P659-E661 PolarHBondContact O-N 3.34Å; E661-K663 PolarHBondContact O-NZ 2.89Å
662	G	83	Confident	85.2	Confident	8 Å²	8	55.7 Å²	55.7	8%	0.082	31%	0.314	C	S	.	.			trans	-55.7	158.8	174.8	0	0	0	0	0	112.2	P659	P659-G662 PolarHBondContact O-N 3.28Å; P659-G662 VanDerWaalsContact O-N 3.09Å
663	K	88.9	Confident	85.3	Confident	65 Å²	65	57.2 Å²	57.2	28%	0.283	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-118.3	148.6	-178.5	-66.4	-71.6	165.4	-79	0	110	E661 D667 I671 W703 Y774 F776	E661-K663 PolarHBondContact O-NZ 2.89Å; K663-D667 HydrophobicContact CB-CB 4.17Å; K663-D667 HydrophobicContact CD-CB 4.06Å; K663-I671 HydrophobicContact CD-CD1 4.1Å; K663-I671 HydrophobicContact CG-CD1 4.22Å; K663-W703 PolarHBondContact O-NE1 3.17Å; K663-Y774 PolarHBondContact N-O 3.16Å; K663-F776 HydrophobicContact CB-CD1 4.23Å; K663-F776 HydrophobicContact CB-CE1 4.3Å; K663-F776 HydrophobicContact CG-CD1 4.39Å; K663-F776 HydrophobicContact CG-CE1 3.98Å
664	S	91.4	Very high	85.4	Confident	14 Å²	14	62 Å²	62	10%	0.098	35%	0.353	C	S	.	.			trans	-70.6	163.1	166.2	72.5	0	0	0	0	109.7	K666 D667 A668 E771	S664-K666 VanDerWaalsContact C-N 3.27Å; S664-K666 PolarHBondContact O-N 3.1Å; S664-D667 PolarHBondContact N-OD2 3.37Å; S664-D667 PolarHBondContact O-N 3.38Å; S664-D667 PolarHBondContact OG-N 3.5Å; S664-D667 PolarHBondContact OG-OD2 3.41Å; S664-A668 WeakPolarHBondContact O-CB 3.25Å; S664-A668 PolarHBondContact O-N 2.75Å; S664-E771 WeakPolarHBondContact CA-O 3.33Å
665	W	91.6	Very high	85.4	Confident	20 Å²	20	62.6 Å²	62.6	8%	0.076	35%	0.354	C	S	.	.	H	α-helix	trans	-61.7	-39.1	178	-174.2	98.1	0	0	0	111.7	D667 A668 Q669 L679 W703 I704 R707 T715 C749 C769	W665-D667 PolarHBondContact O-N 3.06Å; W665-A668 PolarHBondContact O-N 2.92Å; W665-Q669 HydrophobicContact CE3-CB 4.28Å; W665-Q669 HydrophobicContact CH2-CB 4.37Å; W665-Q669 HydrophobicContact CH2-CG 4.28Å; W665-Q669 HydrophobicContact CZ3-CB 4.1Å; W665-Q669 HydrophobicContact CZ3-CG 4.3Å; W665-Q669 WeakPolarHBondContact O-CB 3.27Å; W665-Q669 PolarHBondContact O-N 3.34Å; W665-L679 HydrophobicContact CD2-CD1 4.04Å; W665-L679 VanDerWaalsContact CE2-CD1 3.49Å; W665-L679 HydrophobicContact CG-CD1 4.27Å; W665-L679 HydrophobicContact CZ2-CD1 3.9Å; W665-W703 HydrophobicContact CB-CD2 3.86Å; W665-W703 HydrophobicContact CB-CE3 4.06Å; W665-W703 HydrophobicContact CB-CG 4.28Å; W665-W703 HydrophobicContact CB-CH2 4.46Å; W665-W703 HydrophobicContact CB-CZ2 4.28Å; W665-W703 HydrophobicContact CB-CZ3 4.34Å; W665-W703 AromaticContact CD1-CD2 3.79Å; W665-W703 AromaticContact CD1-CE3 3.52Å; W665-W703 AromaticContact CD1-CG 4Å; W665-W703 HydrophobicContact CG-CD2 4.25Å; W665-W703 HydrophobicContact CG-CE3 4.2Å; W665-I704 PolarHBondContact NE1-O 2.98Å; W665-R707 HydrophobicContact CZ2-CB 4.47Å; W665-T715 HydrophobicContact CH2-CG2 3.75Å; W665-T715 HydrophobicContact CZ2-CG2 3.51Å; W665-C749 HydrophobicContact CB-CB 3.96Å; W665-C749 HydrophobicContact CD2-CB 4.27Å; W665-C749 HydrophobicContact CG-CB 3.67Å; W665-C769 HydrophobicContact CB-CB 4.26Å; W665-C769 PolarHBondContact N-O 3.39Å
666	K	88.6	Confident	85.5	Confident	131 Å²	131	68.4 Å²	68.4	57%	0.57	38%	0.38	S	S	*	.	H	α-helix	trans	-63.7	-40.9	177.8	-70.9	-178.2	179.9	173.6	0	111.9	S664 S670	S664-K666 VanDerWaalsContact C-N 3.27Å; S664-K666 PolarHBondContact O-N 3.1Å; K666-S670 WeakPolarHBondContact O-CB 3.43Å; K666-S670 PolarHBondContact O-N 3.24Å; K666-S670 PolarHBondContact O-OG 3.34Å
667	D	91.1	Very high	85.6	Confident	80 Å²	80	68.4 Å²	68.4	43%	0.428	38%	0.382	S	S	.	.	H	α-helix	trans	-65.8	-45	174.9	-61.9	-38.8	0	0	0	110.7	K663 S664 W665 Q669 S670 I671	K663-D667 HydrophobicContact CB-CB 4.17Å; K663-D667 HydrophobicContact CD-CB 4.06Å; S664-D667 PolarHBondContact N-OD2 3.37Å; S664-D667 PolarHBondContact O-N 3.38Å; S664-D667 PolarHBondContact OG-N 3.5Å; S664-D667 PolarHBondContact OG-OD2 3.41Å; W665-D667 PolarHBondContact O-N 3.06Å; D667-Q669 PolarHBondContact O-N 3.06Å; D667-S670 PolarHBondContact O-N 3.12Å; D667-I671 WeakPolarHBondContact O-CD1 3.4Å; D667-I671 WeakPolarHBondContact O-CG1 3.44Å; D667-I671 PolarHBondContact O-N 3.32Å
668	A	91.7	Very high	86.6	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-59.4	-47.5	178.8	0	0	0	0	0	112	S664 W665 S670 I671 C672 L679 F776	S664-A668 WeakPolarHBondContact O-CB 3.25Å; S664-A668 PolarHBondContact O-N 2.75Å; W665-A668 PolarHBondContact O-N 2.92Å; A668-S670 VanDerWaalsContact C-N 3.34Å; A668-S670 PolarHBondContact O-N 2.97Å; A668-I671 PolarHBondContact O-N 3Å; A668-C672 PolarHBondContact O-N 3.49Å; A668-C672 PolarHBondContact O-SG 3.07Å; A668-L679 HydrophobicContact CB-CD2 4.11Å; A668-F776 HydrophobicContact CB-CB 3.55Å; A668-F776 HydrophobicContact CB-CD1 3.79Å; A668-F776 HydrophobicContact CB-CD2 4.2Å; A668-F776 HydrophobicContact CB-CG 3.58Å
669	Q	90.1	Very high	87.5	Confident	36 Å²	36	63.4 Å²	63.4	17%	0.168	34%	0.335	C	S	.	.	H	α-helix	trans	-63.1	-39.9	176.2	-179.2	60.6	23.3	0	0	111.9	W665 D667 I671 C672 S673 L679	W665-Q669 HydrophobicContact CE3-CB 4.28Å; W665-Q669 HydrophobicContact CH2-CB 4.37Å; W665-Q669 HydrophobicContact CH2-CG 4.28Å; W665-Q669 HydrophobicContact CZ3-CB 4.1Å; W665-Q669 HydrophobicContact CZ3-CG 4.3Å; W665-Q669 WeakPolarHBondContact O-CB 3.27Å; W665-Q669 PolarHBondContact O-N 3.34Å; D667-Q669 PolarHBondContact O-N 3.06Å; Q669-I671 VanDerWaalsContact C-N 3.35Å; Q669-C672 PolarHBondContact O-N 3.14Å; Q669-S673 WeakPolarHBondContact O-CB 3.23Å; Q669-S673 PolarHBondContact O-N 2.88Å; Q669-S673 PolarHBondContact O-OG 3.25Å; Q669-L679 HydrophobicContact CB-CD1 3.92Å; Q669-L679 HydrophobicContact CB-CG 4.38Å; Q669-L679 VanDerWaalsContact OE1-CG 3.22Å; Q669-L679 VanDerWaalsContact OE1-N 3.09Å
670	S	90.8	Very high	88.6	Confident	72 Å²	72	59 Å²	59	50%	0.503	31%	0.307	S	S	.	.	H	α-helix	trans	-63.5	-41.7	175.9	-59.7	0	0	0	0	111.3	K666 D667 A668 S673 L674	K666-S670 WeakPolarHBondContact O-CB 3.43Å; K666-S670 PolarHBondContact O-N 3.24Å; K666-S670 PolarHBondContact O-OG 3.34Å; D667-S670 PolarHBondContact O-N 3.12Å; A668-S670 VanDerWaalsContact C-N 3.34Å; A668-S670 PolarHBondContact O-N 2.97Å; S670-S673 WeakPolarHBondContact O-CB 3.45Å; S670-S673 PolarHBondContact O-N 3.4Å; S670-L674 WeakPolarHBondContact O-CG 3.49Å; S670-L674 PolarHBondContact O-N 3.48Å
671	I	90.6	Very high	89.5	Confident	44 Å²	44	51.6 Å²	51.6	23%	0.226	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-45.1	176	-66.4	161.2	0	0	0	111	K663 D667 A668 Q669 S673 L674 F675 F776	K663-I671 HydrophobicContact CD-CD1 4.1Å; K663-I671 HydrophobicContact CG-CD1 4.22Å; D667-I671 WeakPolarHBondContact O-CD1 3.4Å; D667-I671 WeakPolarHBondContact O-CG1 3.44Å; D667-I671 PolarHBondContact O-N 3.32Å; A668-I671 PolarHBondContact O-N 3Å; Q669-I671 VanDerWaalsContact C-N 3.35Å; I671-S673 VanDerWaalsContact C-N 3.27Å; I671-S673 PolarHBondContact O-N 3.22Å; I671-L674 WeakPolarHBondContact O-CB 3.48Å; I671-L674 PolarHBondContact O-N 3.03Å; I671-F675 HydrophobicContact CG2-CD2 4.32Å; I671-F675 HydrophobicContact CG2-CE2 3.99Å; I671-F675 VanDerWaalsContact O-CD2 3.27Å; I671-F675 WeakPolarHBondContact O-CD2 3.36Å; I671-F675 PolarHBondContact O-N 2.79Å; I671-F776 HydrophobicContact CB-CE2 4.26Å; I671-F776 HydrophobicContact CB-CZ 4.12Å; I671-F776 HydrophobicContact CD1-CE1 4.07Å; I671-F776 HydrophobicContact CD1-CZ 3.88Å; I671-F776 HydrophobicContact CG2-CE2 3.84Å; I671-F776 HydrophobicContact CG2-CZ 3.7Å
672	C	91.7	Very high	89.9	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-38.5	176.2	-61.9	0	0	0	0	111.8	A668 Q669 L674 F675 G677 C778	A668-C672 PolarHBondContact O-N 3.49Å; A668-C672 PolarHBondContact O-SG 3.07Å; Q669-C672 PolarHBondContact O-N 3.14Å; C672-L674 VanDerWaalsContact C-N 3.33Å; C672-L674 PolarHBondContact O-N 3.44Å; C672-F675 PolarHBondContact O-N 2.93Å; C672-F675 VanDerWaalsContact O-N 3.08Å; C672-G677 CarbonylContact C-O 3.55Å; C672-G677 VanDerWaalsContact C-O 3.29Å; C672-G677 CarbonylContact O-C 3.59Å; C672-G677 WeakPolarHBondContact O-CA 3.39Å; C672-G677 PolarHBondContact O-N 3.32Å; C672-G677 VanDerWaalsContact O-O 3.11Å; C672-C778 WeakPolarHBondContact CA-SG 3.35Å; C672-C778 HydrophobicContact CB-CB 3.68Å; C672-C778 WeakPolarHBondContact CB-SG 3.26Å; C672-C778 WeakPolarHBondContact SG-CA 3.3Å; C672-C778 WeakPolarHBondContact SG-CB 3.32Å; C672-C778 CovalentContact SG-SG 2.03Å; C672-C778 PolarHBondContact SG-SG 3Å
673	S	90.8	Very high	89.9	Confident	63 Å²	63	48.9 Å²	48.9	44%	0.441	25%	0.252	S	S	.	.	H	α-helix	trans	-64.3	-35.6	177	-57	0	0	0	0	112.4	Q669 S670 I671 F675 Q676 G677	Q669-S673 WeakPolarHBondContact O-CB 3.23Å; Q669-S673 PolarHBondContact O-N 2.88Å; Q669-S673 PolarHBondContact O-OG 3.25Å; S670-S673 WeakPolarHBondContact O-CB 3.45Å; S670-S673 PolarHBondContact O-N 3.4Å; I671-S673 VanDerWaalsContact C-N 3.27Å; I671-S673 PolarHBondContact O-N 3.22Å; S673-F675 PolarHBondContact O-N 2.71Å; S673-Q676 PolarHBondContact O-N 2.82Å; S673-G677 WeakPolarHBondContact CA-O 3.17Å; S673-G677 PolarHBondContact N-O 3.08Å
674	L	89.9	Confident	89.5	Confident	146 Å²	146	48.8 Å²	48.8	76%	0.764	26%	0.255	S	S	*	.	H	α-helix	trans	-59.7	-30.1	173.2	-71.9	170.6	0	0	0	112.5	S670 I671 C672 Q676	S670-L674 WeakPolarHBondContact O-CG 3.49Å; S670-L674 PolarHBondContact O-N 3.48Å; I671-L674 WeakPolarHBondContact O-CB 3.48Å; I671-L674 PolarHBondContact O-N 3.03Å; C672-L674 VanDerWaalsContact C-N 3.33Å; C672-L674 PolarHBondContact O-N 3.44Å; L674-Q676 VanDerWaalsContact C-N 3.29Å; L674-Q676 PolarHBondContact O-N 3.17Å
675	F	86.4	Confident	89.1	Confident	95 Å²	95	55 Å²	55	42%	0.417	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	15.6	176.4	-68.3	-67.8	0	0	0	114.1	W643 L652 I671 C672 S673 G677	W643-F675 HydrophobicContact CH2-CB 4.04Å; W643-F675 HydrophobicContact CZ2-CB 3.72Å; W643-F675 HydrophobicContact CZ2-CD1 4.28Å; W643-F675 HydrophobicContact CZ2-CD2 4.4Å; W643-F675 AromaticContact CZ2-CG 3.9Å; W643-F675 HydrophobicContact CZ2-CG 3.9Å; L652-F675 HydrophobicContact CD2-CD2 4.15Å; L652-F675 HydrophobicContact CD2-CE2 4.06Å; I671-F675 HydrophobicContact CG2-CD2 4.32Å; I671-F675 HydrophobicContact CG2-CE2 3.99Å; I671-F675 VanDerWaalsContact O-CD2 3.27Å; I671-F675 WeakPolarHBondContact O-CD2 3.36Å; I671-F675 PolarHBondContact O-N 2.79Å; C672-F675 PolarHBondContact O-N 2.93Å; C672-F675 VanDerWaalsContact O-N 3.08Å; S673-F675 PolarHBondContact O-N 2.71Å; F675-G677 PolarHBondContact O-N 3.41Å
676	Q	85.8	Confident	88.6	Confident	179 Å²	179	59.3 Å²	59.3	84%	0.836	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	32.2	-173.2	-57.2	173.9	5.5	0	0	112.4	S673 L674	S673-Q676 PolarHBondContact O-N 2.82Å; L674-Q676 VanDerWaalsContact C-N 3.29Å; L674-Q676 PolarHBondContact O-N 3.17Å
677	G	86.9	Confident	88.4	Confident	13 Å²	13	53.9 Å²	53.9	13%	0.134	28%	0.282	C	S	.	.			trans	-122.2	-179.2	178.1	0	0	0	0	0	111.9	C672 S673 F675 Q779	C672-G677 CarbonylContact C-O 3.55Å; C672-G677 VanDerWaalsContact C-O 3.29Å; C672-G677 CarbonylContact O-C 3.59Å; C672-G677 WeakPolarHBondContact O-CA 3.39Å; C672-G677 PolarHBondContact O-N 3.32Å; C672-G677 VanDerWaalsContact O-O 3.11Å; S673-G677 WeakPolarHBondContact CA-O 3.17Å; S673-G677 PolarHBondContact N-O 3.08Å; F675-G677 PolarHBondContact O-N 3.41Å; G677-Q779 CarbonylContact C-O 3.47Å; G677-Q779 WeakPolarHBondContact CA-O 3.5Å
678	S	92.8	Very high	88.2	Confident	13 Å²	13	50.4 Å²	50.4	9%	0.091	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	171.7	170.5	71.8	0	0	0	0	109.4	C778 Q779	S678-C778 CarbonylContact O-C 3.47Å; S678-C778 VanDerWaalsContact O-CA 3.32Å; S678-C778 WeakPolarHBondContact O-CA 3.43Å; S678-Q779 PolarHBondContact N-O 3.26Å; S678-Q779 PolarHBondContact O-N 3.38Å; S678-Q779 WeakPolarHBondContact OG-CG 3.46Å; S678-Q779 PolarHBondContact OG-NE2 3.23Å
679	L	93.1	Very high	88	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	151.7	159.5	-76.4	168.2	0	0	0	110.3	W665 A668 Q669 W703 T715 F776 V777	W665-L679 HydrophobicContact CD2-CD1 4.04Å; W665-L679 VanDerWaalsContact CE2-CD1 3.49Å; W665-L679 HydrophobicContact CG-CD1 4.27Å; W665-L679 HydrophobicContact CZ2-CD1 3.9Å; A668-L679 HydrophobicContact CB-CD2 4.11Å; Q669-L679 HydrophobicContact CB-CD1 3.92Å; Q669-L679 HydrophobicContact CB-CG 4.38Å; Q669-L679 VanDerWaalsContact OE1-CG 3.22Å; Q669-L679 VanDerWaalsContact OE1-N 3.09Å; L679-W703 HydrophobicContact CD2-CB 4.39Å; L679-T715 PolarHBondContact O-OG1 2.89Å; L679-F776 HydrophobicContact CD2-CB 3.91Å; L679-V777 WeakPolarHBondContact CA-O 3.02Å
680	V	92.6	Very high	87.7	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	29%	0.287	C	S	.	.			trans	-63.2	138.1	-172.8	71	0	0	0	0	112.1	L651 I682 I691 I704 G705 V777 Q779	L651-V680 HydrophobicContact CD2-CG2 3.75Å; V680-I682 HydrophobicContact CG1-CG1 4.43Å; V680-I691 HydrophobicContact CG1-CD1 4.35Å; V680-I691 HydrophobicContact CG2-CD1 3.76Å; V680-I704 HydrophobicContact CG1-CB 4.08Å; V680-I704 HydrophobicContact CG1-CG2 3.75Å; V680-G705 PolarHBondContact O-N 2.84Å; V680-V777 HydrophobicContact CB-CB 4.04Å; V680-V777 HydrophobicContact CB-CG1 3.87Å; V680-V777 HydrophobicContact CG1-CB 3.72Å; V680-V777 HydrophobicContact CG1-CG1 4Å; V680-V777 HydrophobicContact CG2-CG1 4.28Å; V680-V777 PolarHBondContact N-O 3.5Å; V680-Q779 HydrophobicContact CB-CB 4.42Å; V680-Q779 HydrophobicContact CG2-CB 4.3Å
681	A	91.3	Very high	87.6	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.264	C	S	.	.			trans	-107	123.6	168	0	0	0	0	0	108.1	K649 W714 N716 Q779	K649-A681 PolarHBondContact NZ-O 2.96Å; A681-W714 HydrophobicContact CB-CB 3.75Å; A681-W714 HydrophobicContact CB-CD2 3.54Å; A681-W714 HydrophobicContact CB-CE3 3.95Å; A681-W714 HydrophobicContact CB-CG 3.44Å; A681-W714 VanDerWaalsContact CB-CG 3.44Å; A681-N716 WeakPolarHBondContact CB-ND2 3.45Å; A681-Q779 VanDerWaalsContact N-CD 3.31Å; A681-Q779 PolarHBondContact O-OE1 3.38Å
682	I	89.3	Confident	87.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.			trans	-98.3	110.7	-177.1	-55.1	-178.4	0	0	0	107.7	V680 E687 Q688 I691 I704 W714 Y722 L752 W764	V680-I682 HydrophobicContact CG1-CG1 4.43Å; I682-E687 HydrophobicContact CG2-CB 4.26Å; I682-Q688 HydrophobicContact CG2-CB 3.79Å; I682-I691 HydrophobicContact CD1-CD1 4.03Å; I682-I691 HydrophobicContact CG1-CD1 3.9Å; I682-I704 HydrophobicContact CD1-CD1 4.44Å; I682-I704 HydrophobicContact CD1-CG2 4.29Å; I682-W714 HydrophobicContact CB-CH2 4.15Å; I682-W714 HydrophobicContact CB-CZ2 4.32Å; I682-W714 HydrophobicContact CG1-CH2 4.44Å; I682-W714 VanDerWaalsContact O-CZ2 3.28Å; I682-W714 WeakPolarHBondContact O-CZ2 3.39Å; I682-Y722 HydrophobicContact CG2-CD1 3.85Å; I682-Y722 HydrophobicContact CG2-CE1 4.07Å; I682-L752 HydrophobicContact CD1-CD1 3.88Å; I682-W764 HydrophobicContact CB-CH2 4.29Å; I682-W764 HydrophobicContact CB-CZ2 3.9Å; I682-W764 HydrophobicContact CD1-CZ2 3.84Å; I682-W764 HydrophobicContact CG1-CZ2 4.34Å; I682-W764 HydrophobicContact CG2-CZ2 4.1Å
683	E	83	Confident	87.1	Confident	54 Å²	54	53 Å²	53	25%	0.252	28%	0.277	S	S	.	.			trans	-96.7	-22.9	-170.4	-71.3	172.9	-141.3	0	0	113.2	K649 E687 K718 S721 Y722	K649-E683 WeakPolarHBondContact CE-OE1 3.41Å; K649-E683 VanDerWaalsContact NZ-CD 3.26Å; K649-E683 IonicContact NZ-OE1 3.33Å; K649-E683 PolarHBondContact NZ-OE1 3.18Å; E683-E687 PolarHBondContact N-OE2 3.44Å; E683-K718 WeakPolarHBondContact OE1-CD 3.38Å; E683-K718 IonicContact OE1-NZ 3.73Å; E683-K718 PolarHBondContact OE1-NZ 2.87Å; E683-K718 IonicContact OE2-NZ 2.93Å; E683-K718 PolarHBondContact OE2-NZ 2.91Å; E683-S721 PolarHBondContact O-OG 2.87Å; E683-Y722 WeakPolarHBondContact O-CB 3.38Å
684	D	80.8	Confident	86.7	Confident	64 Å²	64	52 Å²	52	34%	0.342	27%	0.267	S	S	.	.	S	Bend	trans	-150.7	172.2	-177.9	66	66.8	0	0	0	113.7	I686 E687 Q688	D684-I686 VanDerWaalsContact C-N 3.31Å; D684-I686 PolarHBondContact O-N 3.13Å; D684-I686 VanDerWaalsContact OD1-CA 3.32Å; D684-I686 WeakPolarHBondContact OD1-CA 2.98Å; D684-I686 WeakPolarHBondContact OD1-CB 3.26Å; D684-I686 PolarHBondContact OD1-N 3.25Å; D684-E687 PolarHBondContact OD1-N 2.78Å; D684-Q688 PolarHBondContact O-N 2.98Å; D684-Q688 VanDerWaalsContact O-N 3.12Å
685	E	82.6	Confident	86.4	Confident	143 Å²	143	45.1 Å²	45.1	67%	0.668	23%	0.231	S	C	*	.	H	α-helix	trans	-68.6	-24.9	-178.2	65.3	-177.3	173.6	0	0	114.1	A689 Y722	E685-A689 WeakPolarHBondContact O-CB 3.42Å; E685-A689 PolarHBondContact O-N 2.7Å; E685-Y722 HydrophobicContact CB-CE2 3.99Å
686	I	80.4	Confident	85.7	Confident	111 Å²	111	44.2 Å²	44.2	57%	0.569	23%	0.228	S	C	*	.	H	α-helix	trans	-79.2	-42.5	179.9	-43.8	-177.6	0	0	0	109.5	F646 D684 Q688 A689 Y690	F646-I686 HydrophobicContact CZ-CB 4.28Å; F646-I686 HydrophobicContact CZ-CG2 3.74Å; D684-I686 VanDerWaalsContact C-N 3.31Å; D684-I686 PolarHBondContact O-N 3.13Å; D684-I686 VanDerWaalsContact OD1-CA 3.32Å; D684-I686 WeakPolarHBondContact OD1-CA 2.98Å; D684-I686 WeakPolarHBondContact OD1-CB 3.26Å; D684-I686 PolarHBondContact OD1-N 3.25Å; I686-Q688 VanDerWaalsContact C-N 3.33Å; I686-Q688 PolarHBondContact O-N 2.54Å; I686-A689 PolarHBondContact O-N 2.76Å; I686-Y690 WeakPolarHBondContact O-CB 3.35Å; I686-Y690 PolarHBondContact O-N 3.44Å
687	E	84.3	Confident	84.9	Confident	17 Å²	17	39.9 Å²	39.9	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-56.2	-47.5	169.6	-81.2	-167.5	163.6	0	0	110.9	F646 K649 I682 E683 D684 A689 Y690 I691	F646-E687 HydrophobicContact CD1-CB 4.48Å; F646-E687 HydrophobicContact CD1-CG 3.66Å; F646-E687 HydrophobicContact CE1-CB 4.06Å; F646-E687 HydrophobicContact CE1-CG 3.4Å; K649-E687 WeakPolarHBondContact CD-OE1 3.26Å; K649-E687 WeakPolarHBondContact CE-OE1 3.36Å; K649-E687 VanDerWaalsContact NZ-CD 3.26Å; K649-E687 IonicContact NZ-OE1 2.62Å; K649-E687 PolarHBondContact NZ-OE1 3.47Å; K649-E687 IonicContact NZ-OE2 2.96Å; K649-E687 PolarHBondContact NZ-OE2 3.04Å; I682-E687 HydrophobicContact CG2-CB 4.26Å; E683-E687 PolarHBondContact N-OE2 3.44Å; D684-E687 PolarHBondContact OD1-N 2.78Å; E687-A689 PolarHBondContact O-N 3.4Å; E687-Y690 PolarHBondContact O-N 3.02Å; E687-I691 WeakPolarHBondContact O-CG1 3.5Å; E687-I691 PolarHBondContact O-N 2.85Å
688	Q	88.5	Confident	84.2	Confident	7 Å²	7	40.3 Å²	40.3	3%	0.033	23%	0.232	C	C	.	.	H	α-helix	trans	-56.4	-49.1	175.8	174	62.2	46.8	0	0	111.7	I682 D684 I686 T692 Y722 G762	I682-Q688 HydrophobicContact CG2-CB 3.79Å; D684-Q688 PolarHBondContact O-N 2.98Å; D684-Q688 VanDerWaalsContact O-N 3.12Å; I686-Q688 VanDerWaalsContact C-N 3.33Å; I686-Q688 PolarHBondContact O-N 2.54Å; Q688-T692 PolarHBondContact NE2-OG1 2.94Å; Q688-T692 VanDerWaalsContact NE2-OG1 3.12Å; Q688-T692 WeakPolarHBondContact O-CB 3.42Å; Q688-T692 PolarHBondContact O-N 3Å; Q688-T692 PolarHBondContact O-OG1 3.3Å; Q688-Y722 HydrophobicContact CB-CE1 3.74Å; Q688-Y722 HydrophobicContact CG-CE1 3.97Å; Q688-G762 PolarHBondContact NE2-O 3.2Å
689	A	85.6	Confident	83.3	Confident	57 Å²	57	43.3 Å²	43.3	47%	0.471	25%	0.253	S	S	.	.	H	α-helix	trans	-63.9	-42.3	179.8	0	0	0	0	0	111.8	E685 I686 E687 T692 M693	E685-A689 WeakPolarHBondContact O-CB 3.42Å; E685-A689 PolarHBondContact O-N 2.7Å; I686-A689 PolarHBondContact O-N 2.76Å; E687-A689 PolarHBondContact O-N 3.4Å; A689-T692 PolarHBondContact O-N 2.69Å; A689-M693 WeakPolarHBondContact O-CB 3.34Å; A689-M693 PolarHBondContact O-N 2.69Å
690	Y	85.3	Confident	82.7	Confident	49 Å²	49	44.8 Å²	44.8	19%	0.192	26%	0.262	C	S	.	.	H	α-helix	trans	-61.9	-48.1	178.1	-177.5	-105.1	0	0	0	111.9	F646 L651 I686 E687 T692 M693 L694	F646-Y690 HydrophobicContact CB-CD1 3.74Å; F646-Y690 HydrophobicContact CB-CE1 3.6Å; F646-Y690 HydrophobicContact CB-CG 4.49Å; F646-Y690 HydrophobicContact CD1-CD1 4.35Å; F646-Y690 AromaticContact CD2-CD1 3.37Å; F646-Y690 HydrophobicContact CD2-CD1 3.37Å; F646-Y690 AromaticContact CD2-CD2 3.47Å; F646-Y690 HydrophobicContact CD2-CD2 3.47Å; F646-Y690 VanDerWaalsContact CD2-CD2 3.47Å; F646-Y690 AromaticContact CD2-CE1 3.71Å; F646-Y690 HydrophobicContact CD2-CE1 3.71Å; F646-Y690 AromaticContact CD2-CE2 3.8Å; F646-Y690 HydrophobicContact CD2-CE2 3.8Å; F646-Y690 AromaticContact CD2-CG 3.23Å; F646-Y690 HydrophobicContact CD2-CG 3.23Å; F646-Y690 AromaticContact CD2-CZ 3.91Å; F646-Y690 HydrophobicContact CE2-CD1 4.05Å; F646-Y690 AromaticContact CE2-CD2 3.64Å; F646-Y690 HydrophobicContact CE2-CD2 3.64Å; F646-Y690 HydrophobicContact CE2-CE2 4.35Å; F646-Y690 AromaticContact CE2-CG 3.46Å; F646-Y690 HydrophobicContact CE2-CG 3.46Å; F646-Y690 VanDerWaalsContact CE2-CG 3.46Å; F646-Y690 AromaticContact CG-CD1 3.54Å; F646-Y690 HydrophobicContact CG-CD1 3.54Å; F646-Y690 HydrophobicContact CG-CD2 4.46Å; F646-Y690 AromaticContact CG-CE1 3.88Å; F646-Y690 HydrophobicContact CG-CE1 3.88Å; F646-Y690 AromaticContact CG-CG 3.86Å; F646-Y690 HydrophobicContact CG-CG 3.86Å; F646-Y690 HydrophobicContact CZ-CG 4.25Å; L651-Y690 HydrophobicContact CD1-CD1 4.17Å; L651-Y690 HydrophobicContact CD1-CE1 4.14Å; I686-Y690 WeakPolarHBondContact O-CB 3.35Å; I686-Y690 PolarHBondContact O-N 3.44Å; E687-Y690 PolarHBondContact O-N 3.02Å; Y690-T692 VanDerWaalsContact C-N 3.32Å; Y690-T692 PolarHBondContact O-N 2.94Å; Y690-M693 HydrophobicContact CD2-CE 3.87Å; Y690-M693 HydrophobicContact CE2-CE 3.82Å; Y690-M693 WeakPolarHBondContact O-CB 3.23Å; Y690-M693 PolarHBondContact O-N 2.99Å; Y690-L694 HydrophobicContact CD1-CD1 3.98Å; Y690-L694 HydrophobicContact CE1-CD1 3.6Å; Y690-L694 HydrophobicContact CE1-CG 4.29Å; Y690-L694 WeakPolarHBondContact O-CG 3.39Å; Y690-L694 PolarHBondContact O-N 3.03Å; Y690-L694 VanDerWaalsContact O-N 3.13Å
691	I	87.6	Confident	82.5	Confident	3 Å²	3	45 Å²	45	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-44	176.8	-65.4	165.3	0	0	0	110.2	L651 V680 I682 E687 M693 L694 L695 L752 V777	L651-I691 HydrophobicContact CD1-CG1 4.14Å; V680-I691 HydrophobicContact CG1-CD1 4.35Å; V680-I691 HydrophobicContact CG2-CD1 3.76Å; I682-I691 HydrophobicContact CD1-CD1 4.03Å; I682-I691 HydrophobicContact CG1-CD1 3.9Å; E687-I691 WeakPolarHBondContact O-CG1 3.5Å; E687-I691 PolarHBondContact O-N 2.85Å; I691-M693 VanDerWaalsContact C-N 3.28Å; I691-M693 PolarHBondContact O-N 3.03Å; I691-L694 WeakPolarHBondContact O-CB 3.47Å; I691-L694 PolarHBondContact O-N 3.06Å; I691-L694 VanDerWaalsContact O-N 3.08Å; I691-L695 WeakPolarHBondContact O-CG 3.06Å; I691-L695 PolarHBondContact O-N 3.04Å; I691-L752 HydrophobicContact CG2-CD1 3.95Å; I691-V777 HydrophobicContact CG2-CG2 4.25Å
692	T	88	Confident	82.5	Confident	23 Å²	23	45 Å²	45	14%	0.141	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-38	178.4	-54.5	0	0	0	0	111.9	Q688 A689 Y690 L694 L695 T761	Q688-T692 PolarHBondContact NE2-OG1 2.94Å; Q688-T692 VanDerWaalsContact NE2-OG1 3.12Å; Q688-T692 WeakPolarHBondContact O-CB 3.42Å; Q688-T692 PolarHBondContact O-N 3Å; Q688-T692 PolarHBondContact O-OG1 3.3Å; A689-T692 PolarHBondContact O-N 2.69Å; Y690-T692 VanDerWaalsContact C-N 3.32Å; Y690-T692 PolarHBondContact O-N 2.94Å; T692-L694 VanDerWaalsContact C-N 3.35Å; T692-L695 PolarHBondContact O-N 3.22Å; T692-T761 HydrophobicContact CG2-CG2 3.92Å
693	M	84.3	Confident	82.7	Confident	76 Å²	76	45 Å²	45	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-61.9	-41.2	174.2	-177.6	-160.3	71.1	0	0	111.7	A689 Y690 I691 L695 Q696 Y802	A689-M693 WeakPolarHBondContact O-CB 3.34Å; A689-M693 PolarHBondContact O-N 2.69Å; Y690-M693 HydrophobicContact CD2-CE 3.87Å; Y690-M693 HydrophobicContact CE2-CE 3.82Å; Y690-M693 WeakPolarHBondContact O-CB 3.23Å; Y690-M693 PolarHBondContact O-N 2.99Å; I691-M693 VanDerWaalsContact C-N 3.28Å; I691-M693 PolarHBondContact O-N 3.03Å; M693-L695 PolarHBondContact O-N 3.12Å; M693-Q696 WeakPolarHBondContact O-CB 3.05Å; M693-Q696 PolarHBondContact O-N 3.2Å; M693-Q696 VanDerWaalsContact O-N 3.17Å; M693-Y802 HydrophobicContact CG-CE2 3.79Å
694	L	83	Confident	83.2	Confident	42 Å²	42	42.4 Å²	42.4	22%	0.22	25%	0.252	C	S	.	.	H	α-helix	trans	-66.7	-22.2	-179.5	-65	172.2	0	0	0	113.9	L644 L653 Y690 I691 T692 Q696	L644-L694 HydrophobicContact CD1-CD1 3.4Å; L644-L694 HydrophobicContact CD1-CD2 3.6Å; L644-L694 HydrophobicContact CD1-CG 4.09Å; L653-L694 HydrophobicContact CD2-CB 3.83Å; L653-L694 WeakPolarHBondContact CD2-O 3.5Å; Y690-L694 HydrophobicContact CD1-CD1 3.98Å; Y690-L694 HydrophobicContact CE1-CD1 3.6Å; Y690-L694 HydrophobicContact CE1-CG 4.29Å; Y690-L694 WeakPolarHBondContact O-CG 3.39Å; Y690-L694 PolarHBondContact O-N 3.03Å; Y690-L694 VanDerWaalsContact O-N 3.13Å; I691-L694 WeakPolarHBondContact O-CB 3.47Å; I691-L694 PolarHBondContact O-N 3.06Å; I691-L694 VanDerWaalsContact O-N 3.08Å; T692-L694 VanDerWaalsContact C-N 3.35Å; L694-Q696 PolarHBondContact O-N 2.77Å
695	L	83.1	Confident	83.7	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-1.1	177.3	-56.8	177.5	0	0	0	113	L653 L655 I691 T692 M693 G697 S698 V702 L752 N754	L653-L695 HydrophobicContact CD1-CD2 3.57Å; L653-L695 HydrophobicContact CD2-CD2 4.15Å; L655-L695 HydrophobicContact CD2-CD2 3.92Å; I691-L695 WeakPolarHBondContact O-CG 3.06Å; I691-L695 PolarHBondContact O-N 3.04Å; T692-L695 PolarHBondContact O-N 3.22Å; M693-L695 PolarHBondContact O-N 3.12Å; L695-G697 PolarHBondContact O-N 3.28Å; L695-S698 PolarHBondContact O-N 3.27Å; L695-V702 HydrophobicContact CD1-CG1 4.49Å; L695-V702 HydrophobicContact CD1-CG2 3.78Å; L695-V702 HydrophobicContact CD2-CB 4.36Å; L695-V702 HydrophobicContact CD2-CG1 3.45Å; L695-V702 VanDerWaalsContact CD2-CG1 3.45Å; L695-V702 HydrophobicContact CD2-CG2 3.95Å; L695-V702 HydrophobicContact CG-CG2 4.5Å; L695-L752 HydrophobicContact CD1-CD2 3.43Å; L695-L752 VanDerWaalsContact CD1-CD2 3.43Å; L695-N754 HydrophobicContact CB-CB 4.23Å; L695-N754 WeakPolarHBondContact CB-ND2 3.17Å; L695-N754 HydrophobicContact CD1-CB 4.21Å; L695-N754 PolarHBondContact O-ND2 2.82Å
696	Q	71.9	Confident	83.9	Confident	77 Å²	77	33 Å²	33	36%	0.36	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	136.2	179.2	-178.4	-169.2	-6.4	0	0	112.5	M693 L694 S698 R803	M693-Q696 WeakPolarHBondContact O-CB 3.05Å; M693-Q696 PolarHBondContact O-N 3.2Å; M693-Q696 VanDerWaalsContact O-N 3.17Å; L694-Q696 PolarHBondContact O-N 2.77Å; Q696-S698 VanDerWaalsContact C-N 3.3Å; Q696-R803 HydrophobicContact CG-CG 4.25Å
697	G	67.8	Low	83.9	Confident	87 Å²	87	31.3 Å²	31.3	90%	0.897	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.1	-9.5	178.1	0	0	0	0	0	114	L695	L695-G697 PolarHBondContact O-N 3.28Å
698	S	72.3	Confident	83.1	Confident	23 Å²	23	34.1 Å²	34.1	16%	0.161	21%	0.208	C	C	.	.			trans	-103.8	159.2	166.9	-176.6	0	0	0	0	110.4	L695 Q696 V700 N754	L695-S698 PolarHBondContact O-N 3.27Å; Q696-S698 VanDerWaalsContact C-N 3.3Å; S698-V700 WeakPolarHBondContact OG-CB 3.44Å; S698-V700 PolarHBondContact OG-N 2.88Å; S698-N754 PolarHBondContact O-ND2 3.5Å
699	S	74	Confident	81.8	Confident	76 Å²	76	39.8 Å²	39.8	53%	0.531	24%	0.235	S	C	.	.			trans	-109.1	0.5	165.5	56.8	0	0	0	0	112.1
700	V	82.3	Confident	80.5	Confident	30 Å²	30	40.5 Å²	40.5	18%	0.182	23%	0.231	C	C	.	.			trans	-87.1	130.2	-176	-175.1	0	0	0	0	109.3	P656 S698 N754 G773	P656-V700 HydrophobicContact CG-CG1 3.86Å; P656-V700 HydrophobicContact CG-CG2 4.46Å; S698-V700 WeakPolarHBondContact OG-CB 3.44Å; S698-V700 PolarHBondContact OG-N 2.88Å; V700-N754 WeakPolarHBondContact O-CB 3.44Å; V700-G773 VanDerWaalsContact CG1-O 3.24Å; V700-G773 WeakPolarHBondContact CG1-O 2.79Å
701	G	87.1	Confident	79.2	Confident	6 Å²	6	42.4 Å²	42.4	6%	0.062	25%	0.248	C	C	.	.			trans	-71.9	167.5	171.8	0	0	0	0	0	112.3	L752 G775	G701-L752 CarbonylContact C-O 3.57Å; G701-L752 WeakPolarHBondContact CA-O 3.37Å; G701-G775 PolarHBondContact O-N 3.04Å
702	V	92.1	Very high	78	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.7	-178.6	-65.2	0	0	0	0	112.1	L653 L655 L695 L752 G775 V777	L653-V702 HydrophobicContact CD1-CG1 4.08Å; L655-V702 HydrophobicContact CD2-CG1 3.72Å; L695-V702 HydrophobicContact CD1-CG1 4.49Å; L695-V702 HydrophobicContact CD1-CG2 3.78Å; L695-V702 HydrophobicContact CD2-CB 4.36Å; L695-V702 HydrophobicContact CD2-CG1 3.45Å; L695-V702 VanDerWaalsContact CD2-CG1 3.45Å; L695-V702 HydrophobicContact CD2-CG2 3.95Å; L695-V702 HydrophobicContact CG-CG2 4.5Å; V702-L752 HydrophobicContact CG2-CB 3.97Å; V702-L752 PolarHBondContact N-O 3.13Å; V702-L752 PolarHBondContact O-N 2.88Å; V702-G775 CarbonylContact C-O 3.5Å; V702-G775 VanDerWaalsContact CA-O 3.32Å; V702-G775 WeakPolarHBondContact CA-O 3.34Å; V702-V777 HydrophobicContact CB-CG2 4.15Å; V702-V777 HydrophobicContact CG2-CG2 3.87Å
703	W	93.9	Very high	77.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	133.9	170.7	-68.4	120.2	0	0	0	110.9	K663 W665 L679 C749 V751 E767 Y774 G775 F776 V777	K663-W703 PolarHBondContact O-NE1 3.17Å; W665-W703 HydrophobicContact CB-CD2 3.86Å; W665-W703 HydrophobicContact CB-CE3 4.06Å; W665-W703 HydrophobicContact CB-CG 4.28Å; W665-W703 HydrophobicContact CB-CH2 4.46Å; W665-W703 HydrophobicContact CB-CZ2 4.28Å; W665-W703 HydrophobicContact CB-CZ3 4.34Å; W665-W703 AromaticContact CD1-CD2 3.79Å; W665-W703 AromaticContact CD1-CE3 3.52Å; W665-W703 AromaticContact CD1-CG 4Å; W665-W703 HydrophobicContact CG-CD2 4.25Å; W665-W703 HydrophobicContact CG-CE3 4.2Å; L679-W703 HydrophobicContact CD2-CB 4.39Å; W703-C749 HydrophobicContact CE3-CB 4.03Å; W703-C749 HydrophobicContact CH2-CB 4.2Å; W703-C749 HydrophobicContact CZ3-CB 3.51Å; W703-V751 HydrophobicContact CD2-CG2 4.05Å; W703-V751 HydrophobicContact CE3-CB 4.44Å; W703-V751 HydrophobicContact CE3-CG2 3.36Å; W703-V751 HydrophobicContact CH2-CG2 3.63Å; W703-V751 HydrophobicContact CZ2-CG2 4.26Å; W703-V751 HydrophobicContact CZ3-CB 4.45Å; W703-V751 HydrophobicContact CZ3-CG2 3.13Å; W703-E767 HydrophobicContact CH2-CB 3.88Å; W703-E767 HydrophobicContact CH2-CG 4.17Å; W703-E767 HydrophobicContact CZ3-CB 4.22Å; W703-Y774 AromaticContact CE2-CD2 3.7Å; W703-Y774 HydrophobicContact CH2-CD2 4.16Å; W703-Y774 HydrophobicContact CH2-CE2 4.35Å; W703-Y774 AromaticContact CZ2-CD2 3.46Å; W703-Y774 HydrophobicContact CZ2-CD2 3.46Å; W703-Y774 VanDerWaalsContact CZ2-CD2 3.46Å; W703-Y774 HydrophobicContact CZ2-CE2 4.01Å; W703-Y774 HydrophobicContact CZ2-CG 4.32Å; W703-Y774 AromaticContact NE1-CD2 3.96Å; W703-G775 PolarHBondContact N-O 3.04Å; W703-F776 HydrophobicContact CB-CB 4.08Å; W703-V777 PolarHBondContact O-N 2.72Å
704	I	93.1	Very high	77.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	165	171.4	63.8	172.9	0	0	0	110	W665 V680 I682 L706 W714 T750 L752 W764	W665-I704 PolarHBondContact NE1-O 2.98Å; V680-I704 HydrophobicContact CG1-CB 4.08Å; V680-I704 HydrophobicContact CG1-CG2 3.75Å; I682-I704 HydrophobicContact CD1-CD1 4.44Å; I682-I704 HydrophobicContact CD1-CG2 4.29Å; I704-L706 PolarHBondContact O-N 3.05Å; I704-W714 HydrophobicContact CD1-CH2 4.3Å; I704-W714 HydrophobicContact CD1-CZ3 4.21Å; I704-W714 HydrophobicContact CG1-CZ3 4.48Å; I704-T750 HydrophobicContact CD1-CG2 3.74Å; I704-T750 HydrophobicContact CG1-CG2 3.92Å; I704-T750 WeakPolarHBondContact CG1-O 3.29Å; I704-T750 PolarHBondContact N-O 3.07Å; I704-T750 VanDerWaalsContact N-O 3.16Å; I704-L752 HydrophobicContact CG2-CB 3.88Å; I704-L752 HydrophobicContact CG2-CD1 4.41Å; I704-W764 HydrophobicContact CD1-CD2 3.81Å; I704-W764 HydrophobicContact CD1-CE3 4.21Å; I704-W764 HydrophobicContact CD1-CG 4.04Å; I704-W764 HydrophobicContact CD1-CZ2 4.4Å
705	G	89.9	Confident	77.5	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	28.4	-167.9	0	0	0	0	0	115.5	V680 W714 T715	V680-G705 PolarHBondContact O-N 2.84Å; G705-W714 CarbonylContact O-C 3.48Å; G705-W714 WeakPolarHBondContact O-CA 3.18Å; G705-T715 WeakPolarHBondContact CA-OG1 3.34Å; G705-T715 WeakPolarHBondContact O-CG2 3.4Å; G705-T715 PolarHBondContact O-N 2.88Å
706	L	86.9	Confident	77.2	Confident	7 Å²	7	52 Å²	52	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	141.7	179.9	-167.6	66	0	0	0	110.4	I704 W714 V720 W725 T750 W764	I704-L706 PolarHBondContact O-N 3.05Å; L706-W714 HydrophobicContact CB-CE3 3.99Å; L706-W714 HydrophobicContact CB-CH2 4.39Å; L706-W714 HydrophobicContact CB-CZ3 3.71Å; L706-W714 HydrophobicContact CD1-CE3 4.44Å; L706-V720 HydrophobicContact CD1-CG2 3.68Å; L706-W725 HydrophobicContact CD2-CH2 3.94Å; L706-W725 HydrophobicContact CD2-CZ2 3.55Å; L706-T750 PolarHBondContact O-N 3.12Å; L706-T750 VanDerWaalsContact O-N 3.14Å; L706-T750 PolarHBondContact O-OG1 3.38Å; L706-W764 HydrophobicContact CD2-CE3 4.42Å; L706-W764 HydrophobicContact CD2-CZ3 4.3Å
707	R	81.7	Confident	77.4	Confident	77 Å²	77	51.1 Å²	51.1	29%	0.291	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	144.4	-176.2	-178.2	173.8	61.9	157.4	-3.9	110.2	W665 E709 D710	W665-R707 HydrophobicContact CZ2-CB 4.47Å; R707-E709 IonicContact CZ-OE2 2.75Å; R707-E709 IonicContact NH1-OE2 2.8Å; R707-E709 PolarHBondContact NH1-OE2 3.38Å; R707-D710 IonicContact CZ-OD2 3.75Å; R707-D710 IonicContact NE-OD2 3.61Å; R707-D710 PolarHBondContact NE-OD2 3.01Å; R707-D710 IonicContact NH2-OD2 3.27Å; R707-D710 PolarHBondContact NH2-OD2 2.95Å; R707-D710 CarbonylContact O-C 3.55Å; R707-D710 PolarHBondContact O-N 2.91Å
708	D	67.4	Low	77.8	Confident	75 Å²	75	51.1 Å²	51.1	40%	0.401	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-67	-38.3	-173.9	-171.2	34.7	0	0	0	113.9	D710 T711 L748	D708-D710 PolarHBondContact O-N 3.41Å; D708-T711 WeakPolarHBondContact O-CG2 3.16Å; D708-T711 PolarHBondContact O-N 2.81Å; D708-L748 HydrophobicContact CB-CB 3.84Å; D708-L748 WeakPolarHBondContact CB-O 3.45Å; D708-L748 PolarHBondContact N-O 2.98Å
709	E	60.3	Low	78	Confident	126 Å²	126	54.8 Å²	54.8	59%	0.589	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-60.7	-22.1	176.1	-67	-179.1	154.1	0	0	113.6	R707 P747	R707-E709 IonicContact CZ-OE2 2.75Å; R707-E709 IonicContact NH1-OE2 2.8Å; R707-E709 PolarHBondContact NH1-OE2 3.38Å; E709-P747 HydrophobicContact CG-CB 4.44Å
710	D	59.1	Low	78.3	Confident	73 Å²	73	52.7 Å²	52.7	39%	0.39	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-121.4	47	-178.9	-65	-56.1	0	0	0	110.6	R707 D708 M712 K713	R707-D710 IonicContact CZ-OD2 3.75Å; R707-D710 IonicContact NE-OD2 3.61Å; R707-D710 PolarHBondContact NE-OD2 3.01Å; R707-D710 IonicContact NH2-OD2 3.27Å; R707-D710 PolarHBondContact NH2-OD2 2.95Å; R707-D710 CarbonylContact O-C 3.55Å; R707-D710 PolarHBondContact O-N 2.91Å; D708-D710 PolarHBondContact O-N 3.41Å; D710-M712 PolarHBondContact O-N 3.43Å; D710-K713 HydrophobicContact CB-CB 4.47Å; D710-K713 PolarHBondContact O-N 3.46Å
711	T	56.5	Low	78	Confident	88 Å²	88	55.3 Å²	55.3	54%	0.54	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45	-5.7	-170.6	24.5	0	0	0	0	118	D708	D708-T711 WeakPolarHBondContact O-CG2 3.16Å; D708-T711 PolarHBondContact O-N 2.81Å
712	M	62.4	Low	77.7	Confident	114 Å²	114	57.6 Å²	57.6	56%	0.562	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.2	18	178.1	-63.2	-64.6	166	0	0	114.3	D710 P719 V720	D710-M712 PolarHBondContact O-N 3.43Å; M712-P719 WeakPolarHBondContact O-CA 3.41Å; M712-V720 PolarHBondContact O-N 2.79Å
713	K	77.6	Confident	77.3	Confident	131 Å²	131	61.2 Å²	61.2	57%	0.57	34%	0.336	S	S	*	.	B	Isolated β-bridge	trans	-136.5	133	177	-67.7	-176.3	-178.6	178	0	112.6	D710	D710-K713 HydrophobicContact CB-CB 4.47Å; D710-K713 PolarHBondContact O-N 3.46Å
714	W	84.8	Confident	77	Confident	6 Å²	6	62.5 Å²	62.5	2%	0.023	34%	0.343	C	S	.	.			trans	-74.2	157.8	167.9	-66.7	107.5	0	0	0	111	A681 I682 I704 G705 L706 N716 G717 K718 V720 W764	A681-W714 HydrophobicContact CB-CB 3.75Å; A681-W714 HydrophobicContact CB-CD2 3.54Å; A681-W714 HydrophobicContact CB-CE3 3.95Å; A681-W714 HydrophobicContact CB-CG 3.44Å; A681-W714 VanDerWaalsContact CB-CG 3.44Å; I682-W714 HydrophobicContact CB-CH2 4.15Å; I682-W714 HydrophobicContact CB-CZ2 4.32Å; I682-W714 HydrophobicContact CG1-CH2 4.44Å; I682-W714 VanDerWaalsContact O-CZ2 3.28Å; I682-W714 WeakPolarHBondContact O-CZ2 3.39Å; I704-W714 HydrophobicContact CD1-CH2 4.3Å; I704-W714 HydrophobicContact CD1-CZ3 4.21Å; I704-W714 HydrophobicContact CG1-CZ3 4.48Å; G705-W714 CarbonylContact O-C 3.48Å; G705-W714 WeakPolarHBondContact O-CA 3.18Å; L706-W714 HydrophobicContact CB-CE3 3.99Å; L706-W714 HydrophobicContact CB-CH2 4.39Å; L706-W714 HydrophobicContact CB-CZ3 3.71Å; L706-W714 HydrophobicContact CD1-CE3 4.44Å; W714-N716 WeakPolarHBondContact CB-OD1 3.44Å; W714-N716 PolarHBondContact O-N 2.96Å; W714-G717 PolarHBondContact O-N 3.03Å; W714-K718 PolarHBondContact N-O 2.85Å; W714-V720 HydrophobicContact CD2-CG2 4.5Å; W714-V720 HydrophobicContact CG-CG2 4.46Å; W714-V720 HydrophobicContact CZ2-CG1 4.36Å; W714-W764 AromaticContact CH2-CH2 3.63Å; W714-W764 HydrophobicContact CH2-CH2 3.63Å; W714-W764 HydrophobicContact CH2-CZ2 4.31Å; W714-W764 AromaticContact CH2-CZ3 3.94Å; W714-W764 HydrophobicContact CH2-CZ3 3.94Å; W714-W764 AromaticContact CZ2-CH2 3.89Å; W714-W764 HydrophobicContact CZ2-CH2 3.89Å; W714-W764 HydrophobicContact CZ2-CZ3 4.3Å
715	T	83.6	Confident	76.6	Confident	43 Å²	43	67.1 Å²	67.1	26%	0.264	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-17.1	174.2	50.1	0	0	0	0	114.8	W665 L679 G705 G717	W665-T715 HydrophobicContact CH2-CG2 3.75Å; W665-T715 HydrophobicContact CZ2-CG2 3.51Å; L679-T715 PolarHBondContact O-OG1 2.89Å; G705-T715 WeakPolarHBondContact CA-OG1 3.34Å; G705-T715 WeakPolarHBondContact O-CG2 3.4Å; G705-T715 PolarHBondContact O-N 2.88Å; T715-G717 VanDerWaalsContact C-N 3.33Å
716	N	75.6	Confident	76.2	Confident	53 Å²	53	68.2 Å²	68.2	28%	0.283	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	1.3	173.2	68.7	-2.1	0	0	0	113.9	A681 W714 K718 Q779	A681-N716 WeakPolarHBondContact CB-ND2 3.45Å; W714-N716 WeakPolarHBondContact CB-OD1 3.44Å; W714-N716 PolarHBondContact O-N 2.96Å; N716-K718 VanDerWaalsContact C-N 3.34Å; N716-K718 WeakPolarHBondContact OD1-CB 3.34Å; N716-K718 PolarHBondContact OD1-N 3.44Å; N716-Q779 PolarHBondContact ND2-NE2 2.9Å
717	G	77.7	Confident	75.3	Confident	57 Å²	57	73.4 Å²	73.4	59%	0.588	40%	0.402	S	S	*	.	S	Bend	trans	84.6	-4.8	-178.9	0	0	0	0	0	115.4	W714 T715	W714-G717 PolarHBondContact O-N 3.03Å; T715-G717 VanDerWaalsContact C-N 3.33Å
718	K	76.4	Confident	74.3	Confident	87 Å²	87	74.4 Å²	74.4	38%	0.378	42%	0.416	S	S	.	.			trans	-74.6	148.5	176	-69.9	-170.3	176.1	-174.8	0	111.5	E683 W714 N716	E683-K718 WeakPolarHBondContact OE1-CD 3.38Å; E683-K718 IonicContact OE1-NZ 3.73Å; E683-K718 PolarHBondContact OE1-NZ 2.87Å; E683-K718 IonicContact OE2-NZ 2.93Å; E683-K718 PolarHBondContact OE2-NZ 2.91Å; W714-K718 PolarHBondContact N-O 2.85Å; N716-K718 VanDerWaalsContact C-N 3.34Å; N716-K718 WeakPolarHBondContact OD1-CB 3.34Å; N716-K718 PolarHBondContact OD1-N 3.44Å
719	P	75.7	Confident	73.4	Confident	100 Å²	100	79 Å²	79	65%	0.649	44%	0.435	S	S	*	.	B	Isolated β-bridge	trans	-67.9	156.5	170.3	30.9	-35	0	0	0	111.3	M712 S721	M712-P719 WeakPolarHBondContact O-CA 3.41Å; P719-S721 PolarHBondContact O-N 3.33Å
720	V	79.3	Confident	72.9	Confident	33 Å²	33	77.3 Å²	77.3	20%	0.2	44%	0.435	C	S	.	.			trans	-79.2	115	177.4	-178.7	0	0	0	0	110	L706 M712 W714 Y722 T723	L706-V720 HydrophobicContact CD1-CG2 3.68Å; M712-V720 PolarHBondContact O-N 2.79Å; W714-V720 HydrophobicContact CD2-CG2 4.5Å; W714-V720 HydrophobicContact CG-CG2 4.46Å; W714-V720 HydrophobicContact CZ2-CG1 4.36Å; V720-Y722 WeakPolarHBondContact CG1-O 3.39Å; V720-T723 HydrophobicContact CG1-CG2 3.68Å
721	S	76.3	Confident	72.2	Confident	85 Å²	85	82 Å²	82	59%	0.594	45%	0.452	S	S	*	.			trans	-100.3	-21.1	179	55.5	0	0	0	0	114.2	E683 P719	E683-S721 PolarHBondContact O-OG 2.87Å; P719-S721 PolarHBondContact O-N 3.33Å
722	Y	81.6	Confident	71.5	Confident	53 Å²	53	82.1 Å²	82.1	21%	0.208	46%	0.456	C	S	.	.			trans	-140.7	143.3	-174.5	172.2	-96.4	0	0	0	109.7	I682 E683 E685 Q688 V720 N724 W764	I682-Y722 HydrophobicContact CG2-CD1 3.85Å; I682-Y722 HydrophobicContact CG2-CE1 4.07Å; E683-Y722 WeakPolarHBondContact O-CB 3.38Å; E685-Y722 HydrophobicContact CB-CE2 3.99Å; Q688-Y722 HydrophobicContact CB-CE1 3.74Å; Q688-Y722 HydrophobicContact CG-CE1 3.97Å; V720-Y722 WeakPolarHBondContact CG1-O 3.39Å; Y722-N724 HydrophobicContact CE1-CB 3.92Å; Y722-W764 HydrophobicContact CD1-CH2 4.01Å; Y722-W764 AromaticContact CD1-CZ2 3.99Å; Y722-W764 HydrophobicContact CD1-CZ2 3.99Å; Y722-W764 HydrophobicContact CE1-CH2 4.39Å; Y722-W764 AromaticContact CE1-CZ2 3.97Å; Y722-W764 HydrophobicContact CE1-CZ2 3.97Å; Y722-W764 VanDerWaalsContact O-CH2 3.28Å; Y722-W764 WeakPolarHBondContact O-CH2 3.31Å
723	T	84.2	Confident	70.7	Confident	77 Å²	77	81.7 Å²	81.7	47%	0.472	45%	0.449	S	S	.	.			trans	-140.9	142.1	176.7	64.5	0	0	0	0	112	V720 W764	V720-T723 HydrophobicContact CG1-CG2 3.68Å; T723-W764 VanDerWaalsContact CA-CZ3 3.48Å; T723-W764 HydrophobicContact CG2-CZ3 4.2Å
724	N	87.1	Confident	69	Low	27 Å²	27	80.6 Å²	80.6	14%	0.144	45%	0.449	C	S	.	.			trans	-133.7	54.3	178.8	-167.2	25.4	0	0	0	113.1	Y722 G762 K763 W764	Y722-N724 HydrophobicContact CE1-CB 3.92Å; N724-G762 PolarHBondContact ND2-O 2.81Å; N724-K763 CarbonylContact O-C 3.57Å; N724-K763 WeakPolarHBondContact O-CA 3.45Å; N724-K763 WeakPolarHBondContact OD1-CD 3.34Å; N724-K763 WeakPolarHBondContact OD1-CE 3.36Å; N724-K763 PolarHBondContact OD1-NZ 2.94Å; N724-W764 HydrophobicContact CB-CD2 4.29Å; N724-W764 HydrophobicContact CB-CZ2 4.26Å; N724-W764 PolarHBondContact O-N 2.89Å
725	W	85.3	Confident	67.3	Low	97 Å²	97	84.6 Å²	84.6	37%	0.367	47%	0.474	S	S	.	.	B	Isolated β-bridge	trans	-65.3	145.4	-178	-62.2	107	0	0	0	113.6	L706 T750 W764 D766	L706-W725 HydrophobicContact CD2-CH2 3.94Å; L706-W725 HydrophobicContact CD2-CZ2 3.55Å; W725-T750 HydrophobicContact CH2-CG2 3.65Å; W725-T750 HydrophobicContact CZ3-CG2 3.65Å; W725-W764 HydrophobicContact CD2-CB 4.21Å; W725-W764 HydrophobicContact CD2-CE3 4.41Å; W725-W764 HydrophobicContact CE3-CB 3.74Å; W725-W764 HydrophobicContact CZ2-CE3 4.36Å; W725-W764 HydrophobicContact CZ3-CB 4.08Å; W725-D766 WeakPolarHBondContact CH2-OD1 3.28Å; W725-D766 WeakPolarHBondContact CZ3-OD1 3.45Å
726	S	79.8	Confident	65.5	Low	23 Å²	23	91.2 Å²	91.2	16%	0.161	50%	0.502	C	S	.	.			trans	-70.3	136.4	171.1	-179.8	0	0	0	0	110.5	V728 L760 W764	S726-V728 PolarHBondContact O-N 3.07Å; S726-V728 PolarHBondContact OG-N 3.18Å; S726-L760 WeakPolarHBondContact OG-CD2 3.31Å; S726-W764 WeakPolarHBondContact CB-O 3.3Å; S726-W764 PolarHBondContact N-O 3.17Å
727	P	68.4	Low	64.1	Low	117 Å²	117	95.1 Å²	95.1	76%	0.76	52%	0.523	S	S	*	.	S	Bend	trans	-73.9	-5.1	175	30.7	-34.6	0	0	0	113.4	E729	P727-E729 PolarHBondContact O-N 2.67Å
728	V	61.2	Low	62.6	Low	97 Å²	97	96.8 Å²	96.8	59%	0.588	52%	0.518	S	S	*	.	S	Bend	trans	-79.1	115.1	173.6	-177.3	0	0	0	0	107.8	S726 L760	S726-V728 PolarHBondContact O-N 3.07Å; S726-V728 PolarHBondContact OG-N 3.18Å; V728-L760 HydrophobicContact CG2-CD2 4.08Å
729	E	49.8	Very low	61.3	Low	172 Å²	172	102.9 Å²	102.9	80%	0.804	54%	0.539	S	S	*	.			trans	-49.2	136.4	174.8	-76.9	175.5	162.8	0	0	110.2	P727 K731	P727-E729 PolarHBondContact O-N 2.67Å; E729-K731 PolarHBondContact O-N 2.87Å
730	P	48.5	Very low	59.8	Low	90 Å²	90	105.9 Å²	105.9	58%	0.584	55%	0.549	S	S	*	.			trans	-53.8	139.2	170.5	22.4	-29.8	0	0	0	107.7	S732	P730-S732 VanDerWaalsContact C-N 3.34Å; P730-S732 PolarHBondContact O-N 3.2Å
731	K	45.2	Very low	58.2	Low	171 Å²	171	107.6 Å²	107.6	74%	0.743	56%	0.562	S	S	*	*			trans	-54.9	107.5	169.5	-72.5	-178.7	-178.4	175.1	0	105.9	E729 Y733	E729-K731 PolarHBondContact O-N 2.87Å; K731-Y733 HydrophobicContact CB-CE1 4.41Å; K731-Y733 WeakPolarHBondContact O-CD2 3.15Å; K731-Y733 PolarHBondContact O-N 2.85Å
732	S	40.4	Very low	56.7	Low	91 Å²	91	107.3 Å²	107.3	64%	0.636	57%	0.573	S	S	*	*			trans	-52.5	105.2	172.1	173.4	0	0	0	0	107	P730 L734	P730-S732 VanDerWaalsContact C-N 3.34Å; P730-S732 PolarHBondContact O-N 3.2Å; S732-L734 PolarHBondContact O-N 2.03Å; S732-L734 PolarHBondContact OG-N 2.89Å
733	Y	46.4	Very low	54.9	Low	106 Å²	106	108.4 Å²	108.4	42%	0.416	59%	0.593	S	S	.	*			trans	-72.9	0.1	171.4	-59.1	-65.7	0	0	0	110.9	K731 T735 E767	K731-Y733 HydrophobicContact CB-CE1 4.41Å; K731-Y733 WeakPolarHBondContact O-CD2 3.15Å; K731-Y733 PolarHBondContact O-N 2.85Å; Y733-T735 PolarHBondContact O-N 2.85Å; Y733-E767 PolarHBondContact OH-OE1 2.94Å
734	L	42.3	Very low	53.1	Low	108 Å²	108	109.3 Å²	109.3	57%	0.565	61%	0.608	S	S	*	*			trans	-87.8	85	179.1	-60	172.3	0	0	0	109.3	S732	S732-L734 PolarHBondContact O-N 2.03Å; S732-L734 PolarHBondContact OG-N 2.89Å
735	T	47.7	Very low	51.8	Low	90 Å²	90	115.5 Å²	115.5	55%	0.552	64%	0.641	S	S	*	*			trans	-66.3	136	151.2	39.6	0	0	0	0	108.5	Y733 D737 D738	Y733-T735 PolarHBondContact O-N 2.85Å; T735-D737 PolarHBondContact O-N 3.26Å; T735-D738 PolarHBondContact O-N 2.78Å
736	Q	45.8	Very low	50.9	Low	182 Å²	182	116 Å²	116	85%	0.85	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	-14.8	-177.2	-168.5	161.4	3.7	0	0	114.4
737	D	46.8	Very low	50.8	Low	134 Å²	134	116.6 Å²	116.6	72%	0.717	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-16.4	177.8	-71.7	-39	0	0	0	114.9	T735	T735-D737 PolarHBondContact O-N 3.26Å
738	D	46.6	Very low	51.6	Low	92 Å²	92	113.3 Å²	113.3	49%	0.492	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-89.7	-15.5	-177.7	-89.7	-30.8	0	0	0	114.5	T735 L740 S741	T735-D738 PolarHBondContact O-N 2.78Å; D738-L740 PolarHBondContact O-N 3.2Å; D738-L740 VanDerWaalsContact O-N 3.16Å; D738-S741 PolarHBondContact O-N 3.07Å; D738-S741 PolarHBondContact O-OG 3.17Å; D738-S741 PolarHBondContact OD1-OG 3.4Å
739	W	48.3	Very low	52.9	Low	216 Å²	216	108.7 Å²	108.7	82%	0.818	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-65.6	-16.8	174.7	-124.4	77.5	0	0	0	113.1
740	L	44	Very low	54.8	Low	163 Å²	163	100.6 Å²	100.6	85%	0.853	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-98.8	-8.7	-178.4	-74.1	165.8	0	0	0	113.8	D738	D738-L740 PolarHBondContact O-N 3.2Å; D738-L740 VanDerWaalsContact O-N 3.16Å
741	S	46.4	Very low	56.8	Low	69 Å²	69	96.3 Å²	96.3	48%	0.483	53%	0.533	S	S	.	.	S	Bend	trans	-97.2	-9.2	-171.3	66	0	0	0	0	114.8	D738 A743	D738-S741 PolarHBondContact O-N 3.07Å; D738-S741 PolarHBondContact O-OG 3.17Å; D738-S741 PolarHBondContact OD1-OG 3.4Å; S741-A743 PolarHBondContact O-N 3.39Å; S741-A743 VanDerWaalsContact O-N 3.1Å
742	G	45.1	Very low	59	Low	79 Å²	79	88.1 Å²	88.1	81%	0.814	50%	0.497	S	S	*	.			trans	58.1	24.9	175.7	0	0	0	0	0	113.9
743	A	43.3	Very low	61.2	Low	76 Å²	76	84.3 Å²	84.3	63%	0.628	47%	0.47	S	S	*	.			trans	-71.6	130.6	169.9	0	0	0	0	0	108.9	S741 D745	S741-A743 PolarHBondContact O-N 3.39Å; S741-A743 VanDerWaalsContact O-N 3.1Å; A743-D745 PolarHBondContact O-N 3.08Å
744	A	46	Very low	63	Low	95 Å²	95	79.6 Å²	79.6	79%	0.785	45%	0.453	S	S	*	.			trans	-49.8	125.6	-176.8	0	0	0	0	0	112.3	E746	A744-E746 PolarHBondContact O-N 3.1Å; A744-E746 VanDerWaalsContact O-N 3.08Å
745	D	60.5	Low	64.7	Low	158 Å²	158	78.1 Å²	78.1	85%	0.845	45%	0.445	S	S	*	.			trans	-55.1	112	167.9	-84.5	-35.5	0	0	0	108.6	A743	A743-D745 PolarHBondContact O-N 3.08Å
746	E	67.1	Low	65.7	Low	107 Å²	107	81.5 Å²	81.5	50%	0.5	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-72.1	132.7	168.3	-75.5	-161.3	153.4	0	0	108.8	A744 S770	A744-E746 PolarHBondContact O-N 3.1Å; A744-E746 VanDerWaalsContact O-N 3.08Å; E746-S770 PolarHBondContact OE2-OG 1.99Å
747	P	77	Confident	67.2	Low	36 Å²	36	76.1 Å²	76.1	23%	0.234	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-63.7	142.6	179.6	25.9	-33.7	0	0	0	110.7	E709 C769	E709-P747 HydrophobicContact CG-CB 4.44Å; P747-C769 HydrophobicContact CG-CB 4.4Å; P747-C769 WeakPolarHBondContact O-CB 3.39Å; P747-C769 PolarHBondContact O-N 3.41Å; P747-C769 VanDerWaalsContact O-N 3.13Å; P747-C769 PolarHBondContact O-SG 3.26Å
748	L	84.3	Confident	68.2	Low	48 Å²	48	77.2 Å²	77.2	25%	0.251	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	139.7	173.4	-64	176.3	0	0	0	110.7	D708 D766 K768	D708-L748 HydrophobicContact CB-CB 3.84Å; D708-L748 WeakPolarHBondContact CB-O 3.45Å; D708-L748 PolarHBondContact N-O 2.98Å; L748-D766 HydrophobicContact CB-CB 4.25Å; L748-D766 HydrophobicContact CD1-CB 4.37Å; L748-K768 HydrophobicContact CD2-CG 4.36Å
749	C	88.3	Confident	69.4	Low	0 Å²	0	78.6 Å²	78.6	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	151.7	-179.2	-77.4	0	0	0	0	109.9	W665 W703 E767 C769	W665-C749 HydrophobicContact CB-CB 3.96Å; W665-C749 HydrophobicContact CD2-CB 4.27Å; W665-C749 HydrophobicContact CG-CB 3.67Å; W703-C749 HydrophobicContact CE3-CB 4.03Å; W703-C749 HydrophobicContact CH2-CB 4.2Å; W703-C749 HydrophobicContact CZ3-CB 3.51Å; C749-E767 PolarHBondContact N-O 2.72Å; C749-E767 PolarHBondContact O-N 3.01Å; C749-E767 VanDerWaalsContact O-O 3.06Å; C749-C769 HydrophobicContact CB-CB 3.96Å; C749-C769 WeakPolarHBondContact CB-SG 3.44Å; C749-C769 PolarHBondContact N-SG 3.17Å; C749-C769 VanDerWaalsContact N-SG 3.4Å; C749-C769 WeakPolarHBondContact SG-CB 3.08Å; C749-C769 CovalentContact SG-SG 2.02Å; C749-C769 PolarHBondContact SG-SG 2.87Å
750	T	89.7	Confident	70.7	Confident	1 Å²	1	70.2 Å²	70.2	1%	0.006	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	131.6	-172.8	-49.1	0	0	0	0	112.7	I704 L706 W725 W764 D766	I704-T750 HydrophobicContact CD1-CG2 3.74Å; I704-T750 HydrophobicContact CG1-CG2 3.92Å; I704-T750 WeakPolarHBondContact CG1-O 3.29Å; I704-T750 PolarHBondContact N-O 3.07Å; I704-T750 VanDerWaalsContact N-O 3.16Å; L706-T750 PolarHBondContact O-N 3.12Å; L706-T750 VanDerWaalsContact O-N 3.14Å; L706-T750 PolarHBondContact O-OG1 3.38Å; W725-T750 HydrophobicContact CH2-CG2 3.65Å; W725-T750 HydrophobicContact CZ3-CG2 3.65Å; T750-W764 HydrophobicContact CG2-CB 3.83Å; T750-W764 HydrophobicContact CG2-CG 4.36Å; T750-D766 PolarHBondContact OG1-OD1 3.25Å
751	V	90.6	Very high	72.6	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	135.6	174.9	-177.8	0	0	0	0	110.3	W703 W764 Y765 E767 Y774	W703-V751 HydrophobicContact CD2-CG2 4.05Å; W703-V751 HydrophobicContact CE3-CB 4.44Å; W703-V751 HydrophobicContact CE3-CG2 3.36Å; W703-V751 HydrophobicContact CH2-CG2 3.63Å; W703-V751 HydrophobicContact CZ2-CG2 4.26Å; W703-V751 HydrophobicContact CZ3-CB 4.45Å; W703-V751 HydrophobicContact CZ3-CG2 3.13Å; V751-W764 WeakPolarHBondContact O-CA 3.27Å; V751-Y765 HydrophobicContact CB-CD2 4.5Å; V751-Y765 HydrophobicContact CB-CE1 4.14Å; V751-Y765 HydrophobicContact CB-CE2 4.01Å; V751-Y765 HydrophobicContact CG1-CE1 4.08Å; V751-Y765 HydrophobicContact CG1-CE2 4.41Å; V751-Y765 HydrophobicContact CG2-CE2 4.39Å; V751-Y765 PolarHBondContact N-O 3.26Å; V751-Y765 PolarHBondContact O-N 3.28Å; V751-Y765 VanDerWaalsContact O-N 3.11Å; V751-E767 HydrophobicContact CG2-CB 3.9Å; V751-Y774 HydrophobicContact CG1-CD1 3.65Å; V751-Y774 HydrophobicContact CG1-CE1 3.7Å; V751-Y774 HydrophobicContact CG1-CG 4.32Å; V751-Y774 HydrophobicContact CG2-CD1 4.29Å; V751-Y774 HydrophobicContact CG2-CD2 4.29Å; V751-Y774 HydrophobicContact CG2-CE1 4.2Å; V751-Y774 HydrophobicContact CG2-CE2 4.22Å; V751-Y774 HydrophobicContact CG2-CG 4.32Å
752	L	91.4	Very high	74.4	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	117.6	165.6	-171.6	167.3	0	0	0	109.5	I682 I691 L695 G701 V702 I704	I682-L752 HydrophobicContact CD1-CD1 3.88Å; I691-L752 HydrophobicContact CG2-CD1 3.95Å; L695-L752 HydrophobicContact CD1-CD2 3.43Å; L695-L752 VanDerWaalsContact CD1-CD2 3.43Å; G701-L752 CarbonylContact C-O 3.57Å; G701-L752 WeakPolarHBondContact CA-O 3.37Å; V702-L752 HydrophobicContact CG2-CB 3.97Å; V702-L752 PolarHBondContact N-O 3.13Å; V702-L752 PolarHBondContact O-N 2.88Å; I704-L752 HydrophobicContact CG2-CB 3.88Å; I704-L752 HydrophobicContact CG2-CD1 4.41Å
753	S	87.9	Confident	76.5	Confident	10 Å²	10	60.2 Å²	60.2	7%	0.07	33%	0.327	C	S	.	.			trans	-71.4	134.8	-177.6	-179.5	0	0	0	0	113.2	N755 L760 G762 K763	S753-N755 PolarHBondContact OG-N 2.99Å; S753-L760 WeakPolarHBondContact CB-O 3.42Å; S753-L760 PolarHBondContact OG-O 3.02Å; S753-G762 PolarHBondContact O-N 3.36Å; S753-K763 WeakPolarHBondContact CB-O 3.41Å; S753-K763 PolarHBondContact N-O 3.16Å
754	N	83.8	Confident	78.7	Confident	8 Å²	8	56.6 Å²	56.6	4%	0.043	30%	0.297	C	S	.	.			trans	-121.1	41.8	169.4	-169.7	29.3	0	0	0	111.6	L695 S698 V700	L695-N754 HydrophobicContact CB-CB 4.23Å; L695-N754 WeakPolarHBondContact CB-ND2 3.17Å; L695-N754 HydrophobicContact CD1-CB 4.21Å; L695-N754 PolarHBondContact O-ND2 2.82Å; S698-N754 PolarHBondContact O-ND2 3.5Å; V700-N754 WeakPolarHBondContact O-CB 3.44Å
755	N	78.4	Confident	80.6	Confident	76 Å²	76	55.4 Å²	55.4	41%	0.406	27%	0.273	S	S	.	.			trans	-66.5	145.8	178.9	-164	-43.3	0	0	0	110.7	S753 N757 L760 T761	S753-N755 PolarHBondContact OG-N 2.99Å; N755-N757 PolarHBondContact O-N 2.88Å; N755-N757 PolarHBondContact OD1-N 2.62Å; N755-L760 HydrophobicContact CB-CB 4Å; N755-T761 PolarHBondContact O-OG1 3.2Å
756	H	69.3	Low	81.8	Confident	161 Å²	161	49.8 Å²	49.8	75%	0.745	24%	0.243	S	C	*	.	S	Bend	trans	-63.1	-20.3	172.7	-66.2	-61.7	0	0	0	113.3	F758	H756-F758 PolarHBondContact O-N 2.92Å
757	N	75.8	Confident	82.6	Confident	70 Å²	70	46 Å²	46	37%	0.374	23%	0.225	S	C	.	.	S	Bend	trans	-71.1	113	169.6	-173.7	-10.5	0	0	0	110	N755 H759 L760 T761	N755-N757 PolarHBondContact O-N 2.88Å; N755-N757 PolarHBondContact OD1-N 2.62Å; N757-H759 PolarHBondContact O-N 2.68Å; N757-H759 VanDerWaalsContact O-N 3.09Å; N757-H759 WeakPolarHBondContact OD1-CB 3.27Å; N757-H759 PolarHBondContact OD1-N 3.15Å; N757-H759 VanDerWaalsContact OD1-N 3.1Å; N757-L760 HydrophobicContact CB-CB 4.5Å; N757-L760 HydrophobicContact CB-CD1 4.35Å; N757-L760 PolarHBondContact O-N 2.76Å; N757-T761 PolarHBondContact O-N 2.91Å; N757-T761 PolarHBondContact O-OG1 2.87Å; N757-T761 VanDerWaalsContact O-OG1 3.08Å
758	F	67.7	Low	83	Confident	157 Å²	157	47.6 Å²	47.6	69%	0.689	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.9	-178	76.5	-88.4	0	0	0	113.9	H756 L760	H756-F758 PolarHBondContact O-N 2.92Å; F758-L760 PolarHBondContact O-N 2.87Å
759	H	71.9	Confident	83.1	Confident	120 Å²	120	45.5 Å²	45.5	56%	0.556	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-19.8	174.7	-68.9	-68.2	0	0	0	113.4	N757	N757-H759 PolarHBondContact O-N 2.68Å; N757-H759 VanDerWaalsContact O-N 3.09Å; N757-H759 WeakPolarHBondContact OD1-CB 3.27Å; N757-H759 PolarHBondContact OD1-N 3.15Å; N757-H759 VanDerWaalsContact OD1-N 3.1Å
760	L	75.7	Confident	82.9	Confident	41 Å²	41	48.4 Å²	48.4	22%	0.215	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-15.5	-177.5	-64.5	175.1	0	0	0	112.6	S726 V728 S753 N755 N757 F758 G762 K763	S726-L760 WeakPolarHBondContact OG-CD2 3.31Å; V728-L760 HydrophobicContact CG2-CD2 4.08Å; S753-L760 WeakPolarHBondContact CB-O 3.42Å; S753-L760 PolarHBondContact OG-O 3.02Å; N755-L760 HydrophobicContact CB-CB 4Å; N757-L760 HydrophobicContact CB-CB 4.5Å; N757-L760 HydrophobicContact CB-CD1 4.35Å; N757-L760 PolarHBondContact O-N 2.76Å; F758-L760 PolarHBondContact O-N 2.87Å; L760-G762 PolarHBondContact O-N 2.77Å; L760-K763 PolarHBondContact O-N 3.48Å
761	T	84.2	Confident	82.7	Confident	38 Å²	38	52.4 Å²	52.4	23%	0.233	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	128.9	176.7	-42.3	0	0	0	0	110.4	T692 N755 N757 K763	T692-T761 HydrophobicContact CG2-CG2 3.92Å; N755-T761 PolarHBondContact O-OG1 3.2Å; N757-T761 PolarHBondContact O-N 2.91Å; N757-T761 PolarHBondContact O-OG1 2.87Å; N757-T761 VanDerWaalsContact O-OG1 3.08Å; T761-K763 PolarHBondContact O-N 2.78Å
762	G	85.1	Confident	82.1	Confident	2 Å²	2	56.4 Å²	56.4	2%	0.021	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	-8.3	-177.9	0	0	0	0	0	114.8	Q688 N724 S753 L760	Q688-G762 PolarHBondContact NE2-O 3.2Å; N724-G762 PolarHBondContact ND2-O 2.81Å; S753-G762 PolarHBondContact O-N 3.36Å; L760-G762 PolarHBondContact O-N 2.77Å
763	K	88.8	Confident	81.6	Confident	61 Å²	61	57.2 Å²	57.2	27%	0.265	29%	0.293	S	S	.	.			trans	-77.5	150.1	177.9	-64.9	-63.3	-173.8	174.8	0	112.2	N724 S753 L760 T761	N724-K763 CarbonylContact O-C 3.57Å; N724-K763 WeakPolarHBondContact O-CA 3.45Å; N724-K763 WeakPolarHBondContact OD1-CD 3.34Å; N724-K763 WeakPolarHBondContact OD1-CE 3.36Å; N724-K763 PolarHBondContact OD1-NZ 2.94Å; S753-K763 WeakPolarHBondContact CB-O 3.41Å; S753-K763 PolarHBondContact N-O 3.16Å; L760-K763 PolarHBondContact O-N 3.48Å; T761-K763 PolarHBondContact O-N 2.78Å
764	W	89.9	Confident	81.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	144.7	178.7	-52.4	-8.9	0	0	0	110.8	I682 I704 L706 W714 Y722 T723 N724 W725 S726 T750 V751	I682-W764 HydrophobicContact CB-CH2 4.29Å; I682-W764 HydrophobicContact CB-CZ2 3.9Å; I682-W764 HydrophobicContact CD1-CZ2 3.84Å; I682-W764 HydrophobicContact CG1-CZ2 4.34Å; I682-W764 HydrophobicContact CG2-CZ2 4.1Å; I704-W764 HydrophobicContact CD1-CD2 3.81Å; I704-W764 HydrophobicContact CD1-CE3 4.21Å; I704-W764 HydrophobicContact CD1-CG 4.04Å; I704-W764 HydrophobicContact CD1-CZ2 4.4Å; L706-W764 HydrophobicContact CD2-CE3 4.42Å; L706-W764 HydrophobicContact CD2-CZ3 4.3Å; W714-W764 AromaticContact CH2-CH2 3.63Å; W714-W764 HydrophobicContact CH2-CH2 3.63Å; W714-W764 HydrophobicContact CH2-CZ2 4.31Å; W714-W764 AromaticContact CH2-CZ3 3.94Å; W714-W764 HydrophobicContact CH2-CZ3 3.94Å; W714-W764 AromaticContact CZ2-CH2 3.89Å; W714-W764 HydrophobicContact CZ2-CH2 3.89Å; W714-W764 HydrophobicContact CZ2-CZ3 4.3Å; Y722-W764 HydrophobicContact CD1-CH2 4.01Å; Y722-W764 AromaticContact CD1-CZ2 3.99Å; Y722-W764 HydrophobicContact CD1-CZ2 3.99Å; Y722-W764 HydrophobicContact CE1-CH2 4.39Å; Y722-W764 AromaticContact CE1-CZ2 3.97Å; Y722-W764 HydrophobicContact CE1-CZ2 3.97Å; Y722-W764 VanDerWaalsContact O-CH2 3.28Å; Y722-W764 WeakPolarHBondContact O-CH2 3.31Å; T723-W764 VanDerWaalsContact CA-CZ3 3.48Å; T723-W764 HydrophobicContact CG2-CZ3 4.2Å; N724-W764 HydrophobicContact CB-CD2 4.29Å; N724-W764 HydrophobicContact CB-CZ2 4.26Å; N724-W764 PolarHBondContact O-N 2.89Å; W725-W764 HydrophobicContact CD2-CB 4.21Å; W725-W764 HydrophobicContact CD2-CE3 4.41Å; W725-W764 HydrophobicContact CE3-CB 3.74Å; W725-W764 HydrophobicContact CZ2-CE3 4.36Å; W725-W764 HydrophobicContact CZ3-CB 4.08Å; S726-W764 WeakPolarHBondContact CB-O 3.3Å; S726-W764 PolarHBondContact N-O 3.17Å; T750-W764 HydrophobicContact CG2-CB 3.83Å; T750-W764 HydrophobicContact CG2-CG 4.36Å; V751-W764 WeakPolarHBondContact O-CA 3.27Å
765	Y	86.1	Confident	82	Confident	69 Å²	69	58.4 Å²	58.4	27%	0.271	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	157.5	171.4	60.8	-85.6	0	0	0	109.5	V751 E767 Y774	V751-Y765 HydrophobicContact CB-CD2 4.5Å; V751-Y765 HydrophobicContact CB-CE1 4.14Å; V751-Y765 HydrophobicContact CB-CE2 4.01Å; V751-Y765 HydrophobicContact CG1-CE1 4.08Å; V751-Y765 HydrophobicContact CG1-CE2 4.41Å; V751-Y765 HydrophobicContact CG2-CE2 4.39Å; V751-Y765 PolarHBondContact N-O 3.26Å; V751-Y765 PolarHBondContact O-N 3.28Å; V751-Y765 VanDerWaalsContact O-N 3.11Å; Y765-E767 HydrophobicContact CE2-CB 4.42Å; Y765-Y774 WeakPolarHBondContact OH-CE1 3.34Å
766	D	84.9	Confident	82.7	Confident	41 Å²	41	55 Å²	55	22%	0.219	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	138.4	179.6	-64.1	-44.3	0	0	0	111.3	W725 L748 T750	W725-D766 WeakPolarHBondContact CH2-OD1 3.28Å; W725-D766 WeakPolarHBondContact CZ3-OD1 3.45Å; L748-D766 HydrophobicContact CB-CB 4.25Å; L748-D766 HydrophobicContact CD1-CB 4.37Å; T750-D766 PolarHBondContact OG1-OD1 3.25Å
767	E	84.4	Confident	83.8	Confident	27 Å²	27	47.4 Å²	47.4	13%	0.126	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	153.9	177.5	-170	59	-83.5	0	0	109.8	W703 Y733 C749 V751 Y765 C769 E771 Y774	W703-E767 HydrophobicContact CH2-CB 3.88Å; W703-E767 HydrophobicContact CH2-CG 4.17Å; W703-E767 HydrophobicContact CZ3-CB 4.22Å; Y733-E767 PolarHBondContact OH-OE1 2.94Å; C749-E767 PolarHBondContact N-O 2.72Å; C749-E767 PolarHBondContact O-N 3.01Å; C749-E767 VanDerWaalsContact O-O 3.06Å; V751-E767 HydrophobicContact CG2-CB 3.9Å; Y765-E767 HydrophobicContact CE2-CB 4.42Å; E767-C769 PolarHBondContact O-N 2.94Å; E767-E771 HydrophobicContact CG-CB 4.13Å; E767-E771 HydrophobicContact CG-CG 4.16Å; E767-Y774 HydrophobicContact CG-CE2 3.94Å; E767-Y774 PolarHBondContact OE2-OH 3.45Å
768	K	85.6	Confident	84.6	Confident	69 Å²	69	44.1 Å²	44.1	30%	0.3	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	129	178.4	-62.4	177.1	179.6	-176.4	0	110.1	L748 S770 E771	L748-K768 HydrophobicContact CD2-CG 4.36Å; K768-S770 PolarHBondContact O-N 2.91Å; K768-E771 HydrophobicContact CB-CG 3.95Å; K768-E771 WeakPolarHBondContact O-CB 2.84Å; K768-E771 PolarHBondContact O-N 2.03Å
769	C	86.4	Confident	85.8	Confident	4 Å²	4	37.1 Å²	37.1	3%	0.027	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.6	-178.6	-59.7	0	0	0	0	113.6	W665 P747 C749 E767	W665-C769 HydrophobicContact CB-CB 4.26Å; W665-C769 PolarHBondContact N-O 3.39Å; P747-C769 HydrophobicContact CG-CB 4.4Å; P747-C769 WeakPolarHBondContact O-CB 3.39Å; P747-C769 PolarHBondContact O-N 3.41Å; P747-C769 VanDerWaalsContact O-N 3.13Å; P747-C769 PolarHBondContact O-SG 3.26Å; C749-C769 HydrophobicContact CB-CB 3.96Å; C749-C769 WeakPolarHBondContact CB-SG 3.44Å; C749-C769 PolarHBondContact N-SG 3.17Å; C749-C769 VanDerWaalsContact N-SG 3.4Å; C749-C769 WeakPolarHBondContact SG-CB 3.08Å; C749-C769 CovalentContact SG-SG 2.02Å; C749-C769 PolarHBondContact SG-SG 2.87Å; E767-C769 PolarHBondContact O-N 2.94Å
770	S	83.6	Confident	86.5	Confident	61 Å²	61	33 Å²	33	43%	0.427	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.8	176.9	52.8	0	0	0	0	113.3	E746 K768 S772	E746-S770 PolarHBondContact OE2-OG 1.99Å; K768-S770 PolarHBondContact O-N 2.91Å; S770-S772 PolarHBondContact O-N 3.23Å
771	E	85.1	Confident	86.9	Confident	86 Å²	86	36 Å²	36	40%	0.402	20%	0.197	S	C	.	.			trans	-66.1	131	-177.4	-74.5	-68.6	164.9	0	0	111.5	S664 E767 K768 Y774	S664-E771 WeakPolarHBondContact CA-O 3.33Å; E767-E771 HydrophobicContact CG-CB 4.13Å; E767-E771 HydrophobicContact CG-CG 4.16Å; K768-E771 HydrophobicContact CB-CG 3.95Å; K768-E771 WeakPolarHBondContact O-CB 2.84Å; K768-E771 PolarHBondContact O-N 2.03Å; E771-Y774 HydrophobicContact CB-CE2 4.45Å
772	S	77.6	Confident	86.7	Confident	83 Å²	83	35.1 Å²	35.1	58%	0.58	19%	0.19	S	C	*	.			trans	-108.8	131.8	178.2	63.4	0	0	0	0	109.5	S770	S770-S772 PolarHBondContact O-N 3.23Å
773	G	81.7	Confident	86.3	Confident	17 Å²	17	37.7 Å²	37.7	18%	0.175	20%	0.203	C	C	.	.			trans	152.1	-14	-179.2	0	0	0	0	0	114	V700	V700-G773 VanDerWaalsContact CG1-O 3.24Å; V700-G773 WeakPolarHBondContact CG1-O 2.79Å
774	Y	89.2	Confident	85.3	Confident	42 Å²	42	39.6 Å²	39.6	17%	0.165	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-93.2	155.6	-179.2	-59.2	-77.9	0	0	0	112.5	K663 W703 V751 Y765 E767 E771	K663-Y774 PolarHBondContact N-O 3.16Å; W703-Y774 AromaticContact CE2-CD2 3.7Å; W703-Y774 HydrophobicContact CH2-CD2 4.16Å; W703-Y774 HydrophobicContact CH2-CE2 4.35Å; W703-Y774 AromaticContact CZ2-CD2 3.46Å; W703-Y774 HydrophobicContact CZ2-CD2 3.46Å; W703-Y774 VanDerWaalsContact CZ2-CD2 3.46Å; W703-Y774 HydrophobicContact CZ2-CE2 4.01Å; W703-Y774 HydrophobicContact CZ2-CG 4.32Å; W703-Y774 AromaticContact NE1-CD2 3.96Å; V751-Y774 HydrophobicContact CG1-CD1 3.65Å; V751-Y774 HydrophobicContact CG1-CE1 3.7Å; V751-Y774 HydrophobicContact CG1-CG 4.32Å; V751-Y774 HydrophobicContact CG2-CD1 4.29Å; V751-Y774 HydrophobicContact CG2-CD2 4.29Å; V751-Y774 HydrophobicContact CG2-CE1 4.2Å; V751-Y774 HydrophobicContact CG2-CE2 4.22Å; V751-Y774 HydrophobicContact CG2-CG 4.32Å; Y765-Y774 WeakPolarHBondContact OH-CE1 3.34Å; E767-Y774 HydrophobicContact CG-CE2 3.94Å; E767-Y774 PolarHBondContact OE2-OH 3.45Å; E771-Y774 HydrophobicContact CB-CE2 4.45Å
775	G	90.9	Very high	84.2	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-172.9	161.9	0	0	0	0	0	111.1	H654 G701 V702 W703	H654-G775 CarbonylContact O-C 3.42Å; H654-G775 WeakPolarHBondContact O-CA 3.17Å; G701-G775 PolarHBondContact O-N 3.04Å; V702-G775 CarbonylContact C-O 3.5Å; V702-G775 VanDerWaalsContact CA-O 3.32Å; V702-G775 WeakPolarHBondContact CA-O 3.34Å; W703-G775 PolarHBondContact N-O 3.04Å
776	F	92.6	Very high	83.1	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	157.8	175.8	58.8	-87.5	0	0	0	111.3	H654 K663 A668 I671 L679 W703 C778	H654-F776 HydrophobicContact CB-CD1 4.19Å; H654-F776 HydrophobicContact CB-CD2 4.3Å; H654-F776 HydrophobicContact CB-CE1 3.72Å; H654-F776 HydrophobicContact CB-CE2 3.86Å; H654-F776 HydrophobicContact CB-CG 4.44Å; H654-F776 HydrophobicContact CB-CZ 3.54Å; H654-F776 AromaticContact CG-CE1 3.67Å; H654-F776 AromaticContact CG-CZ 3.68Å; H654-F776 PolarHBondContact N-O 3.14Å; H654-F776 AromaticContact ND1-CE1 3.65Å; H654-F776 PolarHBondContact O-N 3.41Å; K663-F776 HydrophobicContact CB-CD1 4.23Å; K663-F776 HydrophobicContact CB-CE1 4.3Å; K663-F776 HydrophobicContact CG-CD1 4.39Å; K663-F776 HydrophobicContact CG-CE1 3.98Å; A668-F776 HydrophobicContact CB-CB 3.55Å; A668-F776 HydrophobicContact CB-CD1 3.79Å; A668-F776 HydrophobicContact CB-CD2 4.2Å; A668-F776 HydrophobicContact CB-CG 3.58Å; I671-F776 HydrophobicContact CB-CE2 4.26Å; I671-F776 HydrophobicContact CB-CZ 4.12Å; I671-F776 HydrophobicContact CD1-CE1 4.07Å; I671-F776 HydrophobicContact CD1-CZ 3.88Å; I671-F776 HydrophobicContact CG2-CE2 3.84Å; I671-F776 HydrophobicContact CG2-CZ 3.7Å; L679-F776 HydrophobicContact CD2-CB 3.91Å; W703-F776 HydrophobicContact CB-CB 4.08Å; F776-C778 VanDerWaalsContact CE2-SG 3.53Å
777	V	93.2	Very high	81.7	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.018	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.6	175.2	-173.1	0	0	0	0	108.7	L651 L652 L653 L679 V680 I691 V702 W703	L651-V777 HydrophobicContact CB-CG1 4.48Å; L651-V777 HydrophobicContact CD2-CG1 4.42Å; L652-V777 WeakPolarHBondContact O-CA 3.23Å; L653-V777 HydrophobicContact CD1-CG2 3.72Å; L679-V777 WeakPolarHBondContact CA-O 3.02Å; V680-V777 HydrophobicContact CB-CB 4.04Å; V680-V777 HydrophobicContact CB-CG1 3.87Å; V680-V777 HydrophobicContact CG1-CB 3.72Å; V680-V777 HydrophobicContact CG1-CG1 4Å; V680-V777 HydrophobicContact CG2-CG1 4.28Å; V680-V777 PolarHBondContact N-O 3.5Å; I691-V777 HydrophobicContact CG2-CG2 4.25Å; V702-V777 HydrophobicContact CB-CG2 4.15Å; V702-V777 HydrophobicContact CG2-CG2 3.87Å; W703-V777 PolarHBondContact O-N 2.72Å
778	C	92.8	Very high	80.5	Confident	0 Å²	0	52 Å²	52	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	147.9	170.5	-54.1	0	0	0	0	110.3	W643 L651 L652 C672 S678 F776	W643-C778 HydrophobicContact CH2-CB 3.95Å; W643-C778 HydrophobicContact CZ3-CB 4.26Å; L651-C778 CarbonylContact C-O 3.29Å; L651-C778 VanDerWaalsContact CA-O 3.3Å; L651-C778 WeakPolarHBondContact CA-O 3.46Å; L652-C778 HydrophobicContact CB-CB 4.21Å; L652-C778 PolarHBondContact N-O 2.94Å; L652-C778 PolarHBondContact O-N 3.27Å; C672-C778 WeakPolarHBondContact CA-SG 3.35Å; C672-C778 HydrophobicContact CB-CB 3.68Å; C672-C778 WeakPolarHBondContact CB-SG 3.26Å; C672-C778 WeakPolarHBondContact SG-CA 3.3Å; C672-C778 WeakPolarHBondContact SG-CB 3.32Å; C672-C778 CovalentContact SG-SG 2.03Å; C672-C778 PolarHBondContact SG-SG 3Å; S678-C778 CarbonylContact O-C 3.47Å; S678-C778 VanDerWaalsContact O-CA 3.32Å; S678-C778 WeakPolarHBondContact O-CA 3.43Å; F776-C778 VanDerWaalsContact CE2-SG 3.53Å
779	Q	91.3	Very high	78.9	Confident	10 Å²	10	52.7 Å²	52.7	5%	0.047	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.7	168.4	71.2	177.3	13.3	0	0	110.8	C650 L651 G677 S678 V680 A681 N716	C650-Q779 CarbonylContact O-C 3.48Å; C650-Q779 VanDerWaalsContact O-CA 3.26Å; C650-Q779 WeakPolarHBondContact O-CA 3.47Å; L651-Q779 HydrophobicContact CD2-CB 3.85Å; G677-Q779 CarbonylContact C-O 3.47Å; G677-Q779 WeakPolarHBondContact CA-O 3.5Å; S678-Q779 PolarHBondContact N-O 3.26Å; S678-Q779 PolarHBondContact O-N 3.38Å; S678-Q779 WeakPolarHBondContact OG-CG 3.46Å; S678-Q779 PolarHBondContact OG-NE2 3.23Å; V680-Q779 HydrophobicContact CB-CB 4.42Å; V680-Q779 HydrophobicContact CG2-CB 4.3Å; A681-Q779 VanDerWaalsContact N-CD 3.31Å; A681-Q779 PolarHBondContact O-OE1 3.38Å; N716-Q779 PolarHBondContact ND2-NE2 2.9Å
780	K	88.6	Confident	76.9	Confident	34 Å²	34	60.3 Å²	60.3	15%	0.148	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	159	166.2	69.1	-179	176.2	-167.3	0	111.1	W643 C650	W643-K780 HydrophobicContact CE3-CD 4.24Å; W643-K780 HydrophobicContact CE3-CG 4.04Å; W643-K780 HydrophobicContact CH2-CD 3.85Å; W643-K780 HydrophobicContact CH2-CG 4.13Å; W643-K780 HydrophobicContact CZ2-CD 4.17Å; W643-K780 HydrophobicContact CZ3-CB 4.37Å; W643-K780 HydrophobicContact CZ3-CD 3.89Å; W643-K780 HydrophobicContact CZ3-CG 3.69Å; C650-K780 HydrophobicContact CB-CG 3.89Å; C650-K780 PolarHBondContact N-O 2.85Å; C650-K780 PolarHBondContact O-N 2.86Å
781	P	83.4	Confident	74.4	Confident	105 Å²	105	61.1 Å²	61.1	68%	0.682	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	153.2	175	27.7	-35	0	0	0	111.7
782	Q	79.1	Confident	72	Confident	19 Å²	19	66.2 Å²	66.2	9%	0.089	37%	0.372	C	S	.	.			trans	-71.6	148.3	174.3	-70.6	171.4	5.5	0	0	111.8	G637 G647 K649 C650 T784	G637-Q782 VanDerWaalsContact N-OE1 3.09Å; G637-Q782 PolarHBondContact O-OE1 3.11Å; G647-Q782 PolarHBondContact O-NE2 2.91Å; K649-Q782 PolarHBondContact O-NE2 2.85Å; C650-Q782 VanDerWaalsContact SG-CG 3.52Å; Q782-T784 PolarHBondContact O-N 2.79Å
783	D	77	Confident	69.8	Low	55 Å²	55	71 Å²	71	29%	0.294	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-81.9	100.8	177	-177.1	-3.6	0	0	0	110.1	G637 A638 S785 K786	G637-D783 CarbonylContact C-O 3.5Å; G637-D783 WeakPolarHBondContact CA-O 3.37Å; A638-D783 PolarHBondContact N-O 3.19Å; A638-D783 PolarHBondContact O-N 2.76Å; D783-S785 PolarHBondContact O-N 3.23Å; D783-S785 WeakPolarHBondContact OD1-CB 3.38Å; D783-S785 PolarHBondContact OD1-N 3.07Å; D783-S785 VanDerWaalsContact OD1-N 3.09Å; D783-S785 PolarHBondContact OD1-OG 3.3Å; D783-K786 PolarHBondContact O-N 3.44Å; D783-K786 WeakPolarHBondContact OD2-CD 3.3Å; D783-K786 VanDerWaalsContact OD2-CE 3.29Å; D783-K786 WeakPolarHBondContact OD2-CE 3.39Å; D783-K786 IonicContact OD2-NZ 3.6Å; D783-K786 PolarHBondContact OD2-NZ 2.67Å
784	T	68	Low	67.5	Low	102 Å²	102	77.7 Å²	77.7	63%	0.626	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.7	-177.6	55.8	0	0	0	0	113.8	Q782 K786	Q782-T784 PolarHBondContact O-N 2.79Å; T784-K786 VanDerWaalsContact C-N 3.31Å
785	S	67.8	Low	65.3	Low	98 Å²	98	81 Å²	81	69%	0.685	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-9.6	178.7	74.1	0	0	0	0	113.7	D783	D783-S785 PolarHBondContact O-N 3.23Å; D783-S785 WeakPolarHBondContact OD1-CB 3.38Å; D783-S785 PolarHBondContact OD1-N 3.07Å; D783-S785 VanDerWaalsContact OD1-N 3.09Å; D783-S785 PolarHBondContact OD1-OG 3.3Å
786	K	61.6	Low	63.2	Low	117 Å²	117	86.3 Å²	86.3	51%	0.509	47%	0.465	S	S	.	.	S	Bend	trans	-119.2	144.8	-177.4	-68.9	176	-170.1	139.2	0	110.7	A638 D783 T784	A638-K786 HydrophobicContact CB-CB 3.72Å; D783-K786 PolarHBondContact O-N 3.44Å; D783-K786 WeakPolarHBondContact OD2-CD 3.3Å; D783-K786 VanDerWaalsContact OD2-CE 3.29Å; D783-K786 WeakPolarHBondContact OD2-CE 3.39Å; D783-K786 IonicContact OD2-NZ 3.6Å; D783-K786 PolarHBondContact OD2-NZ 2.67Å; T784-K786 VanDerWaalsContact C-N 3.31Å
787	P	57.2	Low	61.4	Low	108 Å²	108	90 Å²	90	70%	0.701	49%	0.49	S	S	*	.			trans	-60.1	147.4	172.3	27.2	-33.3	0	0	0	109.7	T789	P787-T789 PolarHBondContact O-N 3.46Å
788	P	57.9	Low	59.8	Low	73 Å²	73	95.6 Å²	95.6	47%	0.474	52%	0.519	S	S	.	.			trans	-50.9	128.2	-179.9	18.7	-31.1	0	0	0	110.1	I636 H790	I636-P788 HydrophobicContact CG2-CB 4.29Å; P788-H790 PolarHBondContact O-N 2.86Å
789	T	52.3	Low	58.4	Low	85 Å²	85	100.1 Å²	100.1	52%	0.521	54%	0.543	S	S	.	.	S	Bend	trans	-68.2	-3.2	-171.1	19	0	0	0	0	114.1	A638 C639 P787	A638-T789 HydrophobicContact CB-CG2 3.83Å; C639-T789 PolarHBondContact N-OG1 2.74Å; C639-T789 VanDerWaalsContact N-OG1 3.16Å; C639-T789 PolarHBondContact O-OG1 2.62Å; P787-T789 PolarHBondContact O-N 3.46Å
790	H	43.8	Very low	57.5	Low	164 Å²	164	102.1 Å²	102.1	76%	0.759	55%	0.554	S	S	*	*			trans	-137.5	126.3	160.5	-89.7	-87.2	0	0	0	112.6	P788	P788-H790 PolarHBondContact O-N 2.86Å
791	S	32.3	Very low	56.8	Low	78 Å²	78	108.4 Å²	108.4	55%	0.545	58%	0.584	S	S	.	*			trans	-88.1	142.7	165.4	57.9	0	0	0	0	110.8
792	Y	34.5	Very low	55.9	Low	193 Å²	193	106.6 Å²	106.6	76%	0.757	56%	0.564	S	S	*	*	S	Bend	trans	78.2	123.7	171	-49.3	-74.5	0	0	0	114	H794	Y792-H794 PolarHBondContact O-N 3.15Å
793	H	32	Very low	55	Low	182 Å²	182	111.7 Å²	111.7	84%	0.843	58%	0.582	S	S	*	*				27.9	56.9	80.9	-75.4	-65.3	0	0	0	111.2	P795	H793-P795 WeakPolarHBondContact O-CD 3.35Å
794	H	33.4	Very low	54.8	Low	158 Å²	158	115.5 Å²	115.5	73%	0.731	61%	0.613	S	S	*	*			trans	-58.6	123.3	139.6	-78.3	-17.2	0	0	0	105	Y792 L796	Y792-H794 PolarHBondContact O-N 3.15Å; H794-L796 PolarHBondContact O-N 3.48Å
795	P	42.3	Very low	54.9	Low	113 Å²	113	113.2 Å²	113.2	73%	0.734	60%	0.601	S	S	*	*			trans	-47.2	123	158.9	20.5	-28.5	0	0	0	104.7	H793	H793-P795 WeakPolarHBondContact O-CD 3.35Å
796	L	47.4	Very low	55.5	Low	111 Å²	111	112.5 Å²	112.5	58%	0.581	59%	0.593	S	S	*	*			trans	-45	124.1	171.3	-78.1	155.3	0	0	0	104.8	H794 D798 I800 V809	H794-L796 PolarHBondContact O-N 3.48Å; L796-D798 PolarHBondContact O-N 3.25Å; L796-I800 HydrophobicContact CD2-CD1 3.8Å; L796-V809 HydrophobicContact CD1-CB 4.32Å; L796-V809 HydrophobicContact CD1-CG1 4.2Å; L796-V809 HydrophobicContact CD1-CG2 4.35Å
797	P	54.7	Low	55.9	Low	83 Å²	83	112.3 Å²	112.3	54%	0.539	59%	0.59	S	S	.	*			trans	-50.7	137.1	178.1	18.8	-29.1	0	0	0	107.1	N799 I800	P797-N799 CarbonylContact O-C 3.59Å; P797-N799 PolarHBondContact O-N 2.97Å; P797-I800 HydrophobicContact CG-CG1 4.37Å
798	D	58.4	Low	56.6	Low	119 Å²	119	113.1 Å²	113.1	64%	0.636	58%	0.582	S	S	*	*	S	Bend	trans	-47.9	-25.9	-176.6	-90.5	-45.6	0	0	0	112.2	L796 K808	L796-D798 PolarHBondContact O-N 3.25Å; D798-K808 WeakPolarHBondContact O-CA 3.48Å; D798-K808 VanDerWaalsContact O-CB 3.27Å; D798-K808 WeakPolarHBondContact O-CB 2.9Å; D798-K808 WeakPolarHBondContact O-CD 3Å; D798-K808 WeakPolarHBondContact O-CG 3.42Å
799	N	64.1	Low	56.8	Low	95 Å²	95	113.3 Å²	113.3	51%	0.508	58%	0.582	S	S	.	*	S	Bend	trans	-130.2	115	175.8	-72.8	-28	0	0	0	109.3	P797 T806 Y807	P797-N799 CarbonylContact O-C 3.59Å; P797-N799 PolarHBondContact O-N 2.97Å; N799-T806 HydrophobicContact CB-CG2 3.42Å; N799-T806 VanDerWaalsContact CB-CG2 3.42Å; N799-Y807 CarbonylContact C-O 3.42Å
800	I	72.9	Confident	57.1	Low	53 Å²	53	113.3 Å²	113.3	27%	0.272	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.3	116.3	170.8	-54.6	171.5	0	0	0	107.4	L796 P797 Y807 V809	L796-I800 HydrophobicContact CD2-CD1 3.8Å; P797-I800 HydrophobicContact CG-CG1 4.37Å; I800-Y807 PolarHBondContact N-O 3.23Å; I800-Y807 PolarHBondContact O-N 3.15Å; I800-V809 HydrophobicContact CD1-CG2 3.6Å
801	E	72.6	Confident	57.5	Low	165 Å²	165	111.3 Å²	111.3	77%	0.771	59%	0.586	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.8	125.1	174.4	-69.4	-174.8	173.8	0	0	110.9	S805 T806	E801-S805 WeakPolarHBondContact CA-O 3.07Å; E801-T806 HydrophobicContact CG-CG2 4.39Å
802	Y	65.1	Low	58.1	Low	67 Å²	67	109.9 Å²	109.9	26%	0.263	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-144.4	130.3	174.6	178.6	-93.2	0	0	0	110.8	M693 S804 S805 Y807	M693-Y802 HydrophobicContact CG-CE2 3.79Å; Y802-S804 VanDerWaalsContact C-N 3.31Å; Y802-S804 PolarHBondContact O-N 3.49Å; Y802-S805 PolarHBondContact N-O 3.43Å; Y802-S805 WeakPolarHBondContact O-CA 3.38Å; Y802-S805 WeakPolarHBondContact O-CB 3.29Å; Y802-S805 PolarHBondContact O-N 3.39Å; Y802-S805 VanDerWaalsContact O-O 3.07Å; Y802-Y807 HydrophobicContact CD1-CE2 4.04Å; Y802-Y807 HydrophobicContact CG-CE2 4.31Å; Y802-Y807 WeakPolarHBondContact O-CE2 3.32Å
803	R	60.9	Low	58.5	Low	127 Å²	127	106.9 Å²	106.9	48%	0.479	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	43.6	50.5	179.9	-67.5	-173.1	-178.1	-156.4	-3.1	113.9	Q696 S805	Q696-R803 HydrophobicContact CG-CG 4.25Å; R803-S805 PolarHBondContact O-N 3.31Å
804	S	72.4	Confident	58.6	Low	134 Å²	134	106.1 Å²	106.1	94%	0.937	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.3	6.6	-178	67.2	0	0	0	0	116.7	Y802	Y802-S804 VanDerWaalsContact C-N 3.31Å; Y802-S804 PolarHBondContact O-N 3.49Å
805	S	68.8	Low	58.8	Low	55 Å²	55	105.7 Å²	105.7	39%	0.385	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.4	143.5	173.9	-65.1	0	0	0	0	110.1	E801 Y802 R803 Y807	E801-S805 WeakPolarHBondContact CA-O 3.07Å; Y802-S805 PolarHBondContact N-O 3.43Å; Y802-S805 WeakPolarHBondContact O-CA 3.38Å; Y802-S805 WeakPolarHBondContact O-CB 3.29Å; Y802-S805 PolarHBondContact O-N 3.39Å; Y802-S805 VanDerWaalsContact O-O 3.07Å; R803-S805 PolarHBondContact O-N 3.31Å; S805-Y807 VanDerWaalsContact CB-CE2 3.5Å
806	T	80.3	Confident	59.7	Low	83 Å²	83	105.3 Å²	105.3	51%	0.509	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.8	117.3	176.1	-44.4	0	0	0	0	108.7	N799 E801	N799-T806 HydrophobicContact CB-CG2 3.42Å; N799-T806 VanDerWaalsContact CB-CG2 3.42Å; E801-T806 HydrophobicContact CG-CG2 4.39Å
807	Y	70.9	Confident	60.3	Low	113 Å²	113	105 Å²	105	44%	0.443	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.2	125.3	-178.8	-61.2	-92.9	0	0	0	109.3	N799 I800 Y802 S805	N799-Y807 CarbonylContact C-O 3.42Å; I800-Y807 PolarHBondContact N-O 3.23Å; I800-Y807 PolarHBondContact O-N 3.15Å; Y802-Y807 HydrophobicContact CD1-CE2 4.04Å; Y802-Y807 HydrophobicContact CG-CE2 4.31Å; Y802-Y807 WeakPolarHBondContact O-CE2 3.32Å; S805-Y807 VanDerWaalsContact CB-CE2 3.5Å
808	K	72.3	Confident	60.6	Low	125 Å²	125	106.2 Å²	106.2	54%	0.543	59%	0.59	S	S	.	*			trans	-105.2	119.3	172	174.5	157.8	-171.5	177.1	0	109.1	D798 V810	D798-K808 WeakPolarHBondContact O-CA 3.48Å; D798-K808 VanDerWaalsContact O-CB 3.27Å; D798-K808 WeakPolarHBondContact O-CB 2.9Å; D798-K808 WeakPolarHBondContact O-CD 3Å; D798-K808 WeakPolarHBondContact O-CG 3.42Å; K808-V810 HydrophobicContact CG-CG2 4.09Å; K808-V810 PolarHBondContact O-N 3.24Å
809	V	61.7	Low	60.8	Low	77 Å²	77	105.5 Å²	105.5	47%	0.467	59%	0.588	S	S	.	*			trans	-82.3	103	171.7	-178.7	0	0	0	0	107.3	L796 I800 S811	L796-V809 HydrophobicContact CD1-CB 4.32Å; L796-V809 HydrophobicContact CD1-CG1 4.2Å; L796-V809 HydrophobicContact CD1-CG2 4.35Å; I800-V809 HydrophobicContact CD1-CG2 3.6Å; V809-S811 PolarHBondContact O-N 3.48Å; V809-S811 VanDerWaalsContact O-N 3.14Å
810	V	59.4	Low	60.5	Low	84 Å²	84	106.1 Å²	106.1	51%	0.509	59%	0.593	S	S	.	*			trans	-79.5	95.5	176.9	-177.1	0	0	0	0	108.3	K808 G812 M814	K808-V810 HydrophobicContact CG-CG2 4.09Å; K808-V810 PolarHBondContact O-N 3.24Å; V810-G812 VanDerWaalsContact C-N 3.32Å; V810-G812 PolarHBondContact O-N 3.13Å; V810-G812 VanDerWaalsContact O-N 3.14Å; V810-M814 HydrophobicContact CB-SD 4.48Å; V810-M814 HydrophobicContact CG1-CG 4.15Å; V810-M814 HydrophobicContact CG1-SD 4.06Å
811	S	50.7	Low	59.7	Low	122 Å²	122	109.7 Å²	109.7	85%	0.853	61%	0.614	S	S	*	*			trans	-82.4	80.5	169.1	59.4	0	0	0	0	109.6	V809	V809-S811 PolarHBondContact O-N 3.48Å; V809-S811 VanDerWaalsContact O-N 3.14Å
812	G	45.3	Very low	58.8	Low	49 Å²	49	105.7 Å²	105.7	51%	0.505	60%	0.603	S	S	.	*	S	Bend	trans	-170.8	145.5	175.9	0	0	0	0	0	109.1	V810 M814	V810-G812 VanDerWaalsContact C-N 3.32Å; V810-G812 PolarHBondContact O-N 3.13Å; V810-G812 VanDerWaalsContact O-N 3.14Å; G812-M814 PolarHBondContact O-N 3.4Å
813	N	42.5	Very low	58.3	Low	129 Å²	129	108.7 Å²	108.7	69%	0.69	63%	0.629	S	S	*	*			trans	-59.7	102.1	172.3	-117.6	28.5	0	0	0	107.9	S815	N813-S815 PolarHBondContact ND2-OG 3.06Å; N813-S815 PolarHBondContact O-N 2.68Å; N813-S815 VanDerWaalsContact O-N 3.1Å
814	M	33.9	Very low	58.1	Low	167 Å²	167	107.2 Å²	107.2	82%	0.823	64%	0.642	S	S	*	*			trans	-81.7	69.9	158.7	-74.6	-172.4	58.1	0	0	106.9	V810 G812	V810-M814 HydrophobicContact CB-SD 4.48Å; V810-M814 HydrophobicContact CG1-CG 4.15Å; V810-M814 HydrophobicContact CG1-SD 4.06Å; G812-M814 PolarHBondContact O-N 3.4Å
815	S	38.9	Very low	56.8	Low	148 Å²	148	104.7 Å²	104.7	100%	1.035	62%	0.615	S	S	*	*			trans	-127	0	168.4	62.5	0	0	0	0	107.3	N813	N813-S815 PolarHBondContact ND2-OG 3.06Å; N813-S815 PolarHBondContact O-N 2.68Å; N813-S815 VanDerWaalsContact O-N 3.1Å

Retrieved 815 of 815 residues in 2056.9 ms (Link to these results)

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