A0A3Q0KRT5_SCHMA Loading...

LIM domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRT5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 354 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	34.8	Very low	249 Å²	249	129.6 Å²	129.6	100%	1.227	73%	0.73	S	S	*	*				0	113	0	-93.3	176.4	152	0	0	107.5
2	A	25.3	Very low	36.3	Very low	91 Å²	91	120.7 Å²	120.7	75%	0.752	68%	0.684	S	S	*	*			trans	-77.8	138.6	-179.6	0	0	0	0	0	110.5
3	I	25.7	Very low	37.6	Very low	154 Å²	154	122.6 Å²	122.6	79%	0.79	68%	0.683	S	S	*	*			trans	-125.7	100.3	155.2	-57.5	179	0	0	0	104.8	E5	I3-E5 HydrophobicContact CG2-CG 4.04Å; I3-E5 PolarHBondContact O-N 3.41Å
4	V	27.1	Very low	38.2	Very low	138 Å²	138	121.8 Å²	121.8	84%	0.836	68%	0.676	S	S	*	*			trans	-86.4	99.8	169.7	-170.1	0	0	0	0	105.4
5	E	25.9	Very low	38.7	Very low	168 Å²	168	121.3 Å²	121.3	79%	0.785	67%	0.667	S	S	*	*			trans	-70.7	133	173.3	-72.8	-174.2	153.6	0	0	110	I3 S7	I3-E5 HydrophobicContact CG2-CG 4.04Å; I3-E5 PolarHBondContact O-N 3.41Å; E5-S7 PolarHBondContact O-N 3.35Å
6	A	29.6	Very low	39.1	Very low	82 Å²	82	125.6 Å²	125.6	68%	0.678	68%	0.681	S	S	*	*			trans	-56.9	125.8	-176.5	0	0	0	0	0	111.9	H8	A6-H8 PolarHBondContact O-N 3.43Å; A6-H8 VanDerWaalsContact O-N 3.12Å; A6-H8 PolarHBondContact O-ND1 3Å
7	S	36	Very low	39.8	Very low	77 Å²	77	123 Å²	123	54%	0.538	67%	0.674	S	S	.	*			trans	-64.2	111.1	172.3	-20.1	0	0	0	0	108.1	E5 N9	E5-S7 PolarHBondContact O-N 3.35Å; S7-N9 PolarHBondContact O-N 3.39Å
8	H	41.5	Very low	40.3	Very low	169 Å²	169	120.9 Å²	120.9	78%	0.782	66%	0.661	S	S	*	*			trans	-65.3	127.8	175.6	-72.3	53.7	0	0	0	109	A6 T10	A6-H8 PolarHBondContact O-N 3.43Å; A6-H8 VanDerWaalsContact O-N 3.12Å; A6-H8 PolarHBondContact O-ND1 3Å; H8-T10 PolarHBondContact O-N 3.01Å; H8-T10 VanDerWaalsContact O-N 3.14Å
9	N	43.8	Very low	41.2	Very low	123 Å²	123	118.8 Å²	118.8	66%	0.658	65%	0.654	S	S	*	*			trans	-67.3	106.4	173.9	-153.2	20.2	0	0	0	107.6	S7	S7-N9 PolarHBondContact O-N 3.39Å
10	T	48.6	Very low	42.5	Very low	56 Å²	56	119.7 Å²	119.7	34%	0.344	66%	0.658	S	S	.	*	B	Isolated β-bridge	trans	-95.1	99.6	178.5	51.6	0	0	0	0	109.1	H8	H8-T10 PolarHBondContact O-N 3.01Å; H8-T10 VanDerWaalsContact O-N 3.14Å
11	N	47.4	Very low	44.2	Very low	119 Å²	119	116.9 Å²	116.9	64%	0.636	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-67.8	131.9	167	-74.1	-20	0	0	0	108.8	H13	N11-H13 PolarHBondContact O-N 3.05Å
12	A	52.9	Low	46.6	Very low	22 Å²	22	108.1 Å²	108.1	18%	0.182	59%	0.594	C	S	.	*	P	Polyproline II helix	trans	-63.4	123.3	165.3	0	0	0	0	0	107.9	L14 I113 F139	A12-L14 PolarHBondContact O-N 3.03Å; A12-I113 HydrophobicContact CB-CG2 3.94Å; A12-F139 HydrophobicContact CB-CE1 4.32Å
13	H	52.9	Low	49.3	Very low	146 Å²	146	106.3 Å²	106.3	68%	0.676	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-71	116.5	173.7	-77	-76.3	0	0	0	108.3	N11	N11-H13 PolarHBondContact O-N 3.05Å
14	L	45.7	Very low	52	Low	111 Å²	111	105.7 Å²	105.7	58%	0.581	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.9	116.2	169.9	-72.4	155.7	0	0	0	107.2	A12 R111 I113	A12-L14 PolarHBondContact O-N 3.03Å; L14-R111 VanDerWaalsContact CD2-NH2 3.3Å; L14-I113 HydrophobicContact CD2-CD1 4.18Å
15	E	45.4	Very low	54.5	Low	114 Å²	114	100.5 Å²	100.5	53%	0.533	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132.3	160.2	-89.2	173.6	-142.6	0	0	107.9	K114	E15-K114 IonicContact OE1-NZ 2.61Å; E15-K114 PolarHBondContact OE1-NZ 3.29Å; E15-K114 WeakPolarHBondContact OE2-CE 3.29Å; E15-K114 IonicContact OE2-NZ 3.85Å; E15-K114 PolarHBondContact OE2-NZ 2.93Å
16	E	45.3	Very low	56.7	Low	191 Å²	191	97.3 Å²	97.3	89%	0.893	52%	0.523	S	S	*	.			trans	-62	146.8	172.1	-71.9	177.3	154.1	0	0	109.6
17	S	51.9	Low	58.4	Low	81 Å²	81	98.1 Å²	98.1	57%	0.566	52%	0.52	S	S	*	.			trans	-31.8	140.5	-177.9	46.4	0	0	0	0	114.3
18	L	48.4	Very low	59.8	Low	86 Å²	86	99.7 Å²	99.7	45%	0.45	53%	0.526	S	S	.	.			trans	-40.9	137.5	166.9	-77.8	168	0	0	0	109.9	N20 Y21	L18-N20 PolarHBondContact O-N 3.26Å; L18-Y21 HydrophobicContact CB-CE2 4.22Å; L18-Y21 HydrophobicContact CD2-CE2 4.36Å
19	P	56.5	Low	61.1	Low	81 Å²	81	98 Å²	98	53%	0.526	52%	0.518	S	S	.	.			trans	-45.1	144.3	174.6	-27	32.4	0	0	0	110.7	Y21	P19-Y21 VanDerWaalsContact C-N 3.32Å; P19-Y21 HydrophobicContact CB-CE1 4.2Å; P19-Y21 HydrophobicContact CB-CE2 4.02Å; P19-Y21 HydrophobicContact CG-CE2 4.18Å; P19-Y21 WeakPolarHBondContact O-CD2 3.38Å; P19-Y21 WeakPolarHBondContact O-CE2 3.39Å; P19-Y21 PolarHBondContact O-N 3.43Å
20	N	67.4	Low	62.8	Low	136 Å²	136	97.1 Å²	97.1	73%	0.727	51%	0.511	S	S	*	.			trans	-69.5	94.3	177.9	-169	12.6	0	0	0	109.4	L18 Q22	L18-N20 PolarHBondContact O-N 3.26Å; N20-Q22 VanDerWaalsContact C-N 3.25Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.49Å; N20-Q22 PolarHBondContact OD1-N 3.28Å
21	Y	77.7	Confident	64.6	Low	60 Å²	60	96.7 Å²	96.7	24%	0.235	51%	0.506	C	S	.	.			trans	-81.4	-6.5	178.4	-63.7	-73	0	0	0	112.5	L18 P19 Y81 E82 F83 F93	L18-Y21 HydrophobicContact CB-CE2 4.22Å; L18-Y21 HydrophobicContact CD2-CE2 4.36Å; P19-Y21 VanDerWaalsContact C-N 3.32Å; P19-Y21 HydrophobicContact CB-CE1 4.2Å; P19-Y21 HydrophobicContact CB-CE2 4.02Å; P19-Y21 HydrophobicContact CG-CE2 4.18Å; P19-Y21 WeakPolarHBondContact O-CD2 3.38Å; P19-Y21 WeakPolarHBondContact O-CE2 3.39Å; P19-Y21 PolarHBondContact O-N 3.43Å; Y21-Y81 CarbonylContact O-C 3.58Å; Y21-Y81 VanDerWaalsContact O-CA 3.27Å; Y21-Y81 WeakPolarHBondContact O-CA 3.48Å; Y21-E82 VanDerWaalsContact CD1-O 3.29Å; Y21-E82 WeakPolarHBondContact CD1-O 3.47Å; Y21-E82 PolarHBondContact O-N 3.03Å; Y21-F83 HydrophobicContact CD1-CD2 4.16Å; Y21-F83 AromaticContact CE1-CD2 3.66Å; Y21-F83 HydrophobicContact CE1-CD2 3.66Å; Y21-F83 HydrophobicContact CE1-CE2 4.21Å; Y21-F83 AromaticContact CZ-CD2 3.95Å; Y21-F93 HydrophobicContact CD1-CZ 4.45Å; Y21-F93 AromaticContact CD2-CE1 3.88Å; Y21-F93 HydrophobicContact CD2-CE1 3.88Å; Y21-F93 HydrophobicContact CD2-CE2 4.44Å; Y21-F93 AromaticContact CD2-CZ 3.39Å; Y21-F93 HydrophobicContact CD2-CZ 3.39Å; Y21-F93 HydrophobicContact CE2-CZ 4.06Å; Y21-F93 HydrophobicContact CG-CE1 4.32Å; Y21-F93 HydrophobicContact CG-CE2 4.3Å; Y21-F93 AromaticContact CG-CZ 3.62Å; Y21-F93 HydrophobicContact CG-CZ 3.62Å
22	Q	84.3	Confident	66.5	Low	66 Å²	66	96.4 Å²	96.4	31%	0.308	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	130.8	179.5	-175	179.5	-26.2	0	0	110.4	N20 E24 V79 Y81	N20-Q22 VanDerWaalsContact C-N 3.25Å; N20-Q22 WeakPolarHBondContact OD1-CB 3.49Å; N20-Q22 PolarHBondContact OD1-N 3.28Å; Q22-E24 PolarHBondContact NE2-OE1 2.86Å; Q22-V79 HydrophobicContact CG-CG1 3.77Å; Q22-Y81 HydrophobicContact CB-CD1 4.39Å; Q22-Y81 HydrophobicContact CB-CE1 3.93Å; Q22-Y81 HydrophobicContact CB-CE2 4.47Å; Q22-Y81 HydrophobicContact CG-CE2 4.36Å; Q22-Y81 PolarHBondContact OE1-OH 3.23Å
23	V	81.7	Confident	67.9	Low	53 Å²	53	95.7 Å²	95.7	32%	0.321	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.3	172.8	-173.2	0	0	0	0	108.3	Y80	V23-Y80 HydrophobicContact CB-CD1 4.37Å; V23-Y80 HydrophobicContact CB-CD2 4.31Å; V23-Y80 HydrophobicContact CB-CE1 3.79Å; V23-Y80 HydrophobicContact CB-CE2 3.79Å; V23-Y80 HydrophobicContact CG1-CE1 3.8Å; V23-Y80 HydrophobicContact CG1-CE2 4.24Å; V23-Y80 VanDerWaalsContact CG1-OH 3.25Å; V23-Y80 WeakPolarHBondContact CG1-OH 3.47Å; V23-Y80 HydrophobicContact CG2-CE2 4.16Å; V23-Y80 PolarHBondContact N-O 2.86Å; V23-Y80 WeakPolarHBondContact O-CD1 2.96Å; V23-Y80 PolarHBondContact O-N 3.25Å
24	E	82.1	Confident	69.4	Low	140 Å²	140	95.2 Å²	95.2	65%	0.654	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.6	175	-60.4	-179.2	-178.2	0	0	107.8	Q22 V79	Q22-E24 PolarHBondContact NE2-OE1 2.86Å; E24-V79 HydrophobicContact CG-CG2 4.26Å
25	L	79.3	Confident	71	Confident	29 Å²	29	92.4 Å²	92.4	15%	0.152	48%	0.483	C	S	.	.			trans	-84.3	130.2	168.4	-91.5	148.5	0	0	0	109.4	T27 V54 Q55 T56 F66 G78 Y80	L25-T27 PolarHBondContact O-N 2.97Å; L25-V54 HydrophobicContact CD1-CG1 4.14Å; L25-V54 HydrophobicContact CD2-CG1 4.41Å; L25-Q55 VanDerWaalsContact CD2-O 3.27Å; L25-Q55 WeakPolarHBondContact CD2-O 3.48Å; L25-T56 HydrophobicContact CD1-CG2 3.93Å; L25-T56 HydrophobicContact CD2-CG2 4.04Å; L25-T56 HydrophobicContact CG-CG2 4.42Å; L25-F66 HydrophobicContact CD1-CD1 4.32Å; L25-F66 HydrophobicContact CD1-CE1 3.26Å; L25-F66 HydrophobicContact CD1-CE2 4.02Å; L25-F66 HydrophobicContact CD1-CZ 3.09Å; L25-G78 PolarHBondContact N-O 3.5Å; L25-G78 VanDerWaalsContact N-O 3.07Å; L25-Y80 HydrophobicContact CB-CE1 4.45Å; L25-Y80 HydrophobicContact CD1-CD1 3.93Å; L25-Y80 HydrophobicContact CD1-CE1 3.25Å; L25-Y80 HydrophobicContact CG-CE1 3.72Å
26	D	71.8	Confident	72.5	Confident	101 Å²	101	96.3 Å²	96.3	54%	0.54	49%	0.494	S	S	.	.			trans	-66.3	106.5	165.8	-166.5	-15.4	0	0	0	108.7	T28	D26-T28 VanDerWaalsContact C-N 3.28Å; D26-T28 WeakPolarHBondContact OD1-CB 3.46Å; D26-T28 WeakPolarHBondContact OD1-CG2 3.18Å; D26-T28 PolarHBondContact OD1-N 2.62Å; D26-T28 PolarHBondContact OD1-OG1 3.18Å; D26-T28 PolarHBondContact OD2-OG1 3.39Å
27	T	66.5	Low	74.2	Confident	99 Å²	99	90.4 Å²	90.4	61%	0.607	48%	0.484	S	S	*	.			trans	-87.4	0.9	-179.6	56.8	0	0	0	0	112.8	L25	L25-T27 PolarHBondContact O-N 2.97Å
28	T	64.5	Low	75.9	Confident	111 Å²	111	88.7 Å²	88.7	68%	0.681	47%	0.472	S	S	*	.	S	Bend	trans	-80.6	-26.2	-178.8	67.8	0	0	0	0	113	D26	D26-T28 VanDerWaalsContact C-N 3.28Å; D26-T28 WeakPolarHBondContact OD1-CB 3.46Å; D26-T28 WeakPolarHBondContact OD1-CG2 3.18Å; D26-T28 PolarHBondContact OD1-N 2.62Å; D26-T28 PolarHBondContact OD1-OG1 3.18Å; D26-T28 PolarHBondContact OD2-OG1 3.39Å
29	E	69.1	Low	78.1	Confident	132 Å²	132	88.2 Å²	88.2	62%	0.617	47%	0.473	S	S	*	.	S	Bend	trans	-86.7	114.1	177.1	-67.1	-168.1	158.5	0	0	111.1	N31	E29-N31 PolarHBondContact O-N 3.07Å
30	E	79.5	Confident	79.8	Confident	106 Å²	106	84.4 Å²	84.4	50%	0.495	45%	0.448	S	S	.	.			trans	-78.2	106.1	171.5	-61.1	-160.1	138	0	0	110.4	Y32 K52	E30-Y32 HydrophobicContact CB-CD2 4.35Å; E30-Y32 HydrophobicContact CB-CE2 3.57Å; E30-Y32 WeakPolarHBondContact O-CD2 3.27Å; E30-Y32 PolarHBondContact OE2-OH 3.17Å; E30-K52 IonicContact OE1-NZ 3.85Å; E30-K52 PolarHBondContact OE1-NZ 2.67Å
31	N	86.2	Confident	80.9	Confident	46 Å²	46	82.3 Å²	82.3	25%	0.246	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	130.4	176.6	-68.6	-52.4	0	0	0	111.1	E29 K52 V53 Q55	E29-N31 PolarHBondContact O-N 3.07Å; N31-K52 WeakPolarHBondContact O-CA 2.92Å; N31-V53 HydrophobicContact CB-CG2 4.33Å; N31-V53 PolarHBondContact O-N 2.75Å; N31-Q55 HydrophobicContact CB-CB 4.46Å; N31-Q55 HydrophobicContact CB-CG 4.36Å
32	Y	87	Confident	81.5	Confident	113 Å²	113	84.7 Å²	84.7	44%	0.443	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	146.1	178.4	-66.6	-90.8	0	0	0	110.1	E30 D34 N50 E51 K52	E30-Y32 HydrophobicContact CB-CD2 4.35Å; E30-Y32 HydrophobicContact CB-CE2 3.57Å; E30-Y32 WeakPolarHBondContact O-CD2 3.27Å; E30-Y32 PolarHBondContact OE2-OH 3.17Å; Y32-D34 PolarHBondContact O-N 2.92Å; Y32-N50 WeakPolarHBondContact CD1-O 3.27Å; Y32-E51 WeakPolarHBondContact CA-O 3.48Å; Y32-K52 HydrophobicContact CD1-CB 4.28Å; Y32-K52 HydrophobicContact CE1-CB 3.99Å
33	V	84	Confident	81.9	Confident	8 Å²	8	84 Å²	84	5%	0.048	45%	0.451	C	S	.	.			trans	-75.3	120.9	178	-179.8	0	0	0	0	111	S35 F47 N50 E51 V53	V33-S35 VanDerWaalsContact CG1-O 3.29Å; V33-S35 WeakPolarHBondContact CG1-O 3.33Å; V33-F47 HydrophobicContact CB-CB 4.25Å; V33-F47 HydrophobicContact CG1-CB 4.12Å; V33-F47 HydrophobicContact CG2-CB 3.66Å; V33-F47 HydrophobicContact CG2-CD1 4.48Å; V33-F47 HydrophobicContact CG2-CD2 4Å; V33-F47 HydrophobicContact CG2-CG 3.81Å; V33-N50 PolarHBondContact O-N 3.3Å; V33-E51 PolarHBondContact N-O 3.28Å; V33-V53 HydrophobicContact CG2-CB 4.27Å; V33-V53 HydrophobicContact CG2-CG1 3.46Å; V33-V53 VanDerWaalsContact CG2-CG1 3.46Å; V33-V53 HydrophobicContact CG2-CG2 3.79Å
34	D	82.7	Confident	82.4	Confident	136 Å²	136	83.8 Å²	83.8	73%	0.727	46%	0.459	S	S	*	.			trans	-101.4	-9.8	-179.4	65.1	-3.7	0	0	0	113.9	Y32	Y32-D34 PolarHBondContact O-N 2.92Å
35	S	79.5	Confident	83	Confident	52 Å²	52	81.5 Å²	81.5	36%	0.364	45%	0.452	S	S	.	.	S	Bend	trans	-132.3	132.6	-170.6	51	0	0	0	0	112.4	V33	V33-S35 VanDerWaalsContact CG1-O 3.29Å; V33-S35 WeakPolarHBondContact CG1-O 3.33Å
36	Y	77.7	Confident	83.6	Confident	196 Å²	196	84.3 Å²	84.3	77%	0.769	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	136.7	172.1	-76.4	-82.5	0	0	0	110.6	L49	Y36-L49 HydrophobicContact CD2-CD1 4.4Å; Y36-L49 HydrophobicContact CE1-CB 4.28Å; Y36-L49 HydrophobicContact CE2-CD1 4.05Å; Y36-L49 HydrophobicContact CE2-CD2 3.96Å; Y36-L49 HydrophobicContact CE2-CG 4.41Å; Y36-L49 WeakPolarHBondContact OH-CD2 3.45Å
37	G	81	Confident	84.6	Confident	67 Å²	67	80.3 Å²	80.3	69%	0.691	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.8	-6.3	172.2	0	0	0	0	0	115.6
38	S	88.2	Confident	85.8	Confident	44 Å²	44	82.7 Å²	82.7	31%	0.308	45%	0.453	S	S	.	.			trans	-70.3	136.7	171.8	-65.5	0	0	0	0	110.9	F47	S38-F47 VanDerWaalsContact C-CD2 3.47Å; S38-F47 WeakPolarHBondContact O-CD2 3.14Å; S38-F47 PolarHBondContact O-N 2.95Å
39	T	93	Very high	86.9	Confident	77 Å²	77	81 Å²	81	47%	0.472	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-121.8	147.8	-176.4	55.4	0	0	0	0	111.9	V41 D45 P46 F47	T39-V41 PolarHBondContact O-N 2.81Å; T39-D45 WeakPolarHBondContact CA-O 3.43Å; T39-P46 HydrophobicContact CG2-CB 4.45Å; T39-F47 WeakPolarHBondContact O-CE2 3.31Å
40	C	93.3	Very high	87.8	Confident	1 Å²	1	80.3 Å²	80.3	1%	0.007	44%	0.44	C	S	.	.			trans	-70.6	125.5	175.9	175.9	0	0	0	0	111.7	R42 C43 G44 D45 F47 S60 H62	C40-R42 PolarHBondContact O-N 3.34Å; C40-R42 VanDerWaalsContact O-N 3.15Å; C40-R42 PolarHBondContact SG-N 2.82Å; C40-C43 VanDerWaalsContact CB-SG 3.58Å; C40-G44 VanDerWaalsContact O-CA 3.27Å; C40-G44 WeakPolarHBondContact O-CA 3.29Å; C40-G44 PolarHBondContact O-N 2.61Å; C40-D45 PolarHBondContact N-O 3.3Å; C40-F47 VanDerWaalsContact CA-CZ 3.42Å; C40-F47 HydrophobicContact CB-CE1 3.71Å; C40-F47 HydrophobicContact CB-CZ 3.71Å; C40-S60 WeakPolarHBondContact CA-O 3.19Å; C40-H62 VanDerWaalsContact CB-CE1 3.47Å; C40-H62 WeakPolarHBondContact CB-CE1 3.32Å; C40-H62 VanDerWaalsContact CB-ND1 3.32Å; C40-H62 WeakPolarHBondContact CB-ND1 3.47Å; C40-H62 PolarHBondContact SG-N 3.48Å
41	V	90.6	Very high	88.3	Confident	91 Å²	91	77.8 Å²	77.8	55%	0.552	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.5	-179.4	172.9	0	0	0	0	113.1	T39 S60 Y61	T39-V41 PolarHBondContact O-N 2.81Å; V41-S60 PolarHBondContact N-O 2.69Å; V41-Y61 HydrophobicContact CB-CD1 4.27Å; V41-Y61 HydrophobicContact CB-CE1 3.77Å; V41-Y61 HydrophobicContact CG1-CE1 4.06Å
42	R	90.1	Very high	88.6	Confident	110 Å²	110	80 Å²	80	42%	0.415	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-50.8	-179.7	-174.6	-177.3	175.6	-157.3	1.4	113.8	C40 Y61 K64 C65 F72	C40-R42 PolarHBondContact O-N 3.34Å; C40-R42 VanDerWaalsContact O-N 3.15Å; C40-R42 PolarHBondContact SG-N 2.82Å; R42-Y61 HydrophobicContact CB-CD1 4.01Å; R42-Y61 HydrophobicContact CB-CE1 4.31Å; R42-K64 PolarHBondContact NH1-O 3.49Å; R42-C65 HydrophobicContact CB-CB 4.09Å; R42-C65 WeakPolarHBondContact CD-O 3.25Å; R42-C65 PolarHBondContact NH1-O 2.85Å; R42-F72 VanDerWaalsContact NH2-CD1 3.27Å
43	C	92.6	Very high	88.9	Confident	52 Å²	52	74.8 Å²	74.8	35%	0.351	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-16	-174.9	67.9	0	0	0	0	113.9	C40 D45 H62	C40-C43 VanDerWaalsContact CB-SG 3.58Å; C43-D45 PolarHBondContact O-N 2.89Å; C43-D45 PolarHBondContact SG-OD2 2.66Å; C43-H62 PolarHBondContact SG-CE1 2.9Å; C43-H62 PolarHBondContact SG-ND1 3.32Å
44	G	92.5	Very high	89.2	Confident	49 Å²	49	75.9 Å²	75.9	51%	0.505	42%	0.422	S	S	.	.			trans	78.7	-11.2	-176.4	0	0	0	0	0	114.5	C40	C40-G44 VanDerWaalsContact O-CA 3.27Å; C40-G44 WeakPolarHBondContact O-CA 3.29Å; C40-G44 PolarHBondContact O-N 2.61Å
45	D	93.7	Very high	89.4	Confident	92 Å²	92	73.3 Å²	73.3	49%	0.492	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-70.3	146.2	-179.1	-57	-44.4	0	0	0	111.6	T39 C40 C43	T39-D45 WeakPolarHBondContact CA-O 3.43Å; C40-D45 PolarHBondContact N-O 3.3Å; C43-D45 PolarHBondContact O-N 2.89Å; C43-D45 PolarHBondContact SG-OD2 2.66Å
46	P	92.9	Very high	89.7	Confident	87 Å²	87	71.8 Å²	71.8	57%	0.565	40%	0.395	S	S	*	.	B	Isolated β-bridge	trans	-70.4	145.4	175.2	30.4	-34.8	0	0	0	111.4	T39	T39-P46 HydrophobicContact CG2-CB 4.45Å
47	F	93.4	Very high	89.8	Confident	17 Å²	17	72.2 Å²	72.2	8%	0.075	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-74.9	151.6	171.8	-58.2	-64.5	0	0	0	111.8	V33 S38 T39 C40 V53 H62	V33-F47 HydrophobicContact CB-CB 4.25Å; V33-F47 HydrophobicContact CG1-CB 4.12Å; V33-F47 HydrophobicContact CG2-CB 3.66Å; V33-F47 HydrophobicContact CG2-CD1 4.48Å; V33-F47 HydrophobicContact CG2-CD2 4Å; V33-F47 HydrophobicContact CG2-CG 3.81Å; S38-F47 VanDerWaalsContact C-CD2 3.47Å; S38-F47 WeakPolarHBondContact O-CD2 3.14Å; S38-F47 PolarHBondContact O-N 2.95Å; T39-F47 WeakPolarHBondContact O-CE2 3.31Å; C40-F47 VanDerWaalsContact CA-CZ 3.42Å; C40-F47 HydrophobicContact CB-CE1 3.71Å; C40-F47 HydrophobicContact CB-CZ 3.71Å; F47-V53 HydrophobicContact CD1-CG1 3.43Å; F47-V53 VanDerWaalsContact CD1-CG1 3.43Å; F47-V53 HydrophobicContact CD2-CG1 4.43Å; F47-V53 HydrophobicContact CE1-CB 4.46Å; F47-V53 HydrophobicContact CE1-CG1 3.47Å; F47-V53 VanDerWaalsContact CE1-CG1 3.47Å; F47-V53 HydrophobicContact CE2-CG1 4.48Å; F47-V53 HydrophobicContact CG-CG1 3.95Å; F47-V53 HydrophobicContact CZ-CG1 4.01Å; F47-H62 AromaticContact CD1-CD2 3.5Å; F47-H62 VanDerWaalsContact CD1-CD2 3.5Å; F47-H62 WeakPolarHBondContact CD1-CD2 3.37Å; F47-H62 AromaticContact CD1-NE2 3.37Å; F47-H62 WeakPolarHBondContact CD1-NE2 3.5Å; F47-H62 AromaticContact CE1-CD2 3.64Å; F47-H62 AromaticContact CE1-CG 3.92Å; F47-H62 AromaticContact CE1-NE2 3.71Å
48	Q	90.3	Very high	89.8	Confident	149 Å²	149	76.5 Å²	76.5	70%	0.696	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-80	151	167.7	-57.1	-173.9	-17.5	0	0	110.9	N50 E51	Q48-N50 PolarHBondContact O-N 3.46Å; Q48-E51 HydrophobicContact CB-CB 4.1Å; Q48-E51 PolarHBondContact N-OE2 2.82Å; Q48-E51 WeakPolarHBondContact O-CB 3.34Å; Q48-E51 PolarHBondContact O-N 3.14Å
49	L	88.8	Confident	89.8	Confident	76 Å²	76	75.3 Å²	75.3	40%	0.398	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	133	172.9	-172.9	71.8	0	0	0	109.4	Y36 E51	Y36-L49 HydrophobicContact CD2-CD1 4.4Å; Y36-L49 HydrophobicContact CE1-CB 4.28Å; Y36-L49 HydrophobicContact CE2-CD1 4.05Å; Y36-L49 HydrophobicContact CE2-CD2 3.96Å; Y36-L49 HydrophobicContact CE2-CG 4.41Å; Y36-L49 WeakPolarHBondContact OH-CD2 3.45Å; L49-E51 PolarHBondContact O-N 3.2Å
50	N	87	Confident	89.8	Confident	118 Å²	118	73 Å²	73	63%	0.631	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	22.3	-174	-57.7	-25.8	0	0	0	114.8	Y32 V33 Q48	Y32-N50 WeakPolarHBondContact CD1-O 3.27Å; V33-N50 PolarHBondContact O-N 3.3Å; Q48-N50 PolarHBondContact O-N 3.46Å
51	E	91	Very high	89.7	Confident	53 Å²	53	74 Å²	74	25%	0.248	39%	0.39	C	S	.	.			trans	-76.6	138.9	170.2	-170.4	172.7	-176.6	0	0	111.1	Y32 V33 Q48 L49 H62	Y32-E51 WeakPolarHBondContact CA-O 3.48Å; V33-E51 PolarHBondContact N-O 3.28Å; Q48-E51 HydrophobicContact CB-CB 4.1Å; Q48-E51 PolarHBondContact N-OE2 2.82Å; Q48-E51 WeakPolarHBondContact O-CB 3.34Å; Q48-E51 PolarHBondContact O-N 3.14Å; L49-E51 PolarHBondContact O-N 3.2Å; E51-H62 IonicContact OE1-CD2 3.67Å; E51-H62 PolarHBondContact OE1-CD2 3.38Å; E51-H62 VanDerWaalsContact OE1-CD2 3.23Å; E51-H62 IonicContact OE1-NE2 3.55Å; E51-H62 IonicContact OE2-CD2 3.44Å; E51-H62 IonicContact OE2-NE2 3.66Å
52	K	91.7	Very high	89.8	Confident	91 Å²	91	70.1 Å²	70.1	40%	0.396	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.4	173	-175	173.3	-178.5	169.7	0	110.2	E30 N31 Y32 V63	E30-K52 IonicContact OE1-NZ 3.85Å; E30-K52 PolarHBondContact OE1-NZ 2.67Å; N31-K52 WeakPolarHBondContact O-CA 2.92Å; Y32-K52 HydrophobicContact CD1-CB 4.28Å; Y32-K52 HydrophobicContact CE1-CB 3.99Å; K52-V63 HydrophobicContact CG-CG2 4.08Å
53	V	92.2	Very high	89.8	Confident	5 Å²	5	68.7 Å²	68.7	3%	0.03	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	158.5	-177.5	-69.7	0	0	0	0	111.5	N31 V33 F47 Q55 Y61	N31-V53 HydrophobicContact CB-CG2 4.33Å; N31-V53 PolarHBondContact O-N 2.75Å; V33-V53 HydrophobicContact CG2-CB 4.27Å; V33-V53 HydrophobicContact CG2-CG1 3.46Å; V33-V53 VanDerWaalsContact CG2-CG1 3.46Å; V33-V53 HydrophobicContact CG2-CG2 3.79Å; F47-V53 HydrophobicContact CD1-CG1 3.43Å; F47-V53 VanDerWaalsContact CD1-CG1 3.43Å; F47-V53 HydrophobicContact CD2-CG1 4.43Å; F47-V53 HydrophobicContact CE1-CB 4.46Å; F47-V53 HydrophobicContact CE1-CG1 3.47Å; F47-V53 VanDerWaalsContact CE1-CG1 3.47Å; F47-V53 HydrophobicContact CE2-CG1 4.48Å; F47-V53 HydrophobicContact CG-CG1 3.95Å; F47-V53 HydrophobicContact CZ-CG1 4.01Å; V53-Q55 HydrophobicContact CG2-CG 4.16Å; V53-Y61 WeakPolarHBondContact CA-O 3.48Å; V53-Y61 WeakPolarHBondContact CB-O 3.4Å
54	V	90.9	Very high	89.8	Confident	30 Å²	30	73.9 Å²	73.9	18%	0.182	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	114.3	166.3	-176.4	0	0	0	0	107.4	L25 Y61 V63 F66	L25-V54 HydrophobicContact CD1-CG1 4.14Å; L25-V54 HydrophobicContact CD2-CG1 4.41Å; V54-Y61 PolarHBondContact N-O 2.7Å; V54-Y61 PolarHBondContact O-N 3.05Å; V54-V63 HydrophobicContact CG2-CG2 4.34Å; V54-F66 HydrophobicContact CB-CB 4.01Å; V54-F66 HydrophobicContact CB-CD1 4.41Å; V54-F66 HydrophobicContact CB-CD2 4.42Å; V54-F66 HydrophobicContact CB-CG 4.03Å; V54-F66 HydrophobicContact CG1-CB 4.26Å; V54-F66 HydrophobicContact CG1-CD1 3.77Å; V54-F66 HydrophobicContact CG1-CD2 3.99Å; V54-F66 HydrophobicContact CG1-CE1 4.13Å; V54-F66 HydrophobicContact CG1-CE2 4.32Å; V54-F66 HydrophobicContact CG1-CG 3.73Å; V54-F66 HydrophobicContact CG1-CZ 4.42Å; V54-F66 HydrophobicContact CG2-CB 3.87Å; V54-F66 HydrophobicContact CG2-CD1 4.36Å; V54-F66 HydrophobicContact CG2-CG 4.2Å
55	Q	88.2	Confident	89.9	Confident	82 Å²	82	72.1 Å²	72.1	38%	0.383	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	123.8	173	-79.9	179.7	-28	0	0	109.4	L25 N31 V53	L25-Q55 VanDerWaalsContact CD2-O 3.27Å; L25-Q55 WeakPolarHBondContact CD2-O 3.48Å; N31-Q55 HydrophobicContact CB-CB 4.46Å; N31-Q55 HydrophobicContact CB-CG 4.36Å; V53-Q55 HydrophobicContact CG2-CG 4.16Å
56	T	84.7	Confident	89.8	Confident	21 Å²	21	68.6 Å²	68.6	13%	0.129	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	174.4	162.3	70.3	0	0	0	0	108.4	L25 D58 S59 Y61 F66	L25-T56 HydrophobicContact CD1-CG2 3.93Å; L25-T56 HydrophobicContact CD2-CG2 4.04Å; L25-T56 HydrophobicContact CG-CG2 4.42Å; T56-D58 PolarHBondContact O-N 3.12Å; T56-S59 PolarHBondContact N-O 3.37Å; T56-S59 PolarHBondContact O-N 3.36Å; T56-S59 PolarHBondContact OG1-N 3.45Å; T56-S59 PolarHBondContact OG1-O 2.84Å; T56-S59 PolarHBondContact OG1-OG 3.06Å; T56-Y61 HydrophobicContact CG2-CE2 4.1Å; T56-F66 HydrophobicContact CG2-CE2 3.86Å; T56-F66 HydrophobicContact CG2-CZ 4.25Å
57	K	80.6	Confident	89.9	Confident	204 Å²	204	65.2 Å²	65.2	89%	0.887	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-34	-178.4	-69.8	-178	178.6	176	0	114
58	D	81	Confident	89.8	Confident	157 Å²	157	64.4 Å²	64.4	84%	0.84	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	-1	-171.3	-55.1	-55.1	0	0	0	114.3	T56	T56-D58 PolarHBondContact O-N 3.12Å
59	S	88.4	Confident	89.9	Confident	19 Å²	19	60 Å²	60	13%	0.133	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	148.7	-170	47.9	0	0	0	0	114.1	T56 Y61	T56-S59 PolarHBondContact N-O 3.37Å; T56-S59 PolarHBondContact O-N 3.36Å; T56-S59 PolarHBondContact OG1-N 3.45Å; T56-S59 PolarHBondContact OG1-O 2.84Å; T56-S59 PolarHBondContact OG1-OG 3.06Å; S59-Y61 WeakPolarHBondContact OG-CE2 3.47Å; S59-Y61 PolarHBondContact OG-OH 3.29Å
60	S	91.3	Very high	89.8	Confident	28 Å²	28	61.3 Å²	61.3	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.2	176.5	-62.4	0	0	0	0	110.8	C40 V41	C40-S60 WeakPolarHBondContact CA-O 3.19Å; V41-S60 PolarHBondContact N-O 2.69Å
61	Y	92.7	Very high	89.9	Confident	22 Å²	22	57.9 Å²	57.9	9%	0.086	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148.9	179.9	-55.6	-94	0	0	0	111.5	V41 R42 V53 V54 T56 S59 F66 K87	V41-Y61 HydrophobicContact CB-CD1 4.27Å; V41-Y61 HydrophobicContact CB-CE1 3.77Å; V41-Y61 HydrophobicContact CG1-CE1 4.06Å; R42-Y61 HydrophobicContact CB-CD1 4.01Å; R42-Y61 HydrophobicContact CB-CE1 4.31Å; V53-Y61 WeakPolarHBondContact CA-O 3.48Å; V53-Y61 WeakPolarHBondContact CB-O 3.4Å; V54-Y61 PolarHBondContact N-O 2.7Å; V54-Y61 PolarHBondContact O-N 3.05Å; T56-Y61 HydrophobicContact CG2-CE2 4.1Å; S59-Y61 WeakPolarHBondContact OG-CE2 3.47Å; S59-Y61 PolarHBondContact OG-OH 3.29Å; Y61-F66 HydrophobicContact CD1-CD2 4.44Å; Y61-F66 AromaticContact CD2-CD2 3.61Å; Y61-F66 HydrophobicContact CD2-CD2 3.61Å; Y61-F66 HydrophobicContact CD2-CE2 4.1Å; Y61-F66 AromaticContact CE2-CD2 3.99Å; Y61-F66 HydrophobicContact CE2-CD2 3.99Å; Y61-F66 HydrophobicContact CE2-CE2 4.08Å; Y61-F66 AromaticContact CG-CD2 3.85Å; Y61-F66 HydrophobicContact CG-CD2 3.85Å; Y61-K87 PolarHBondContact OH-NZ 3.48Å
62	H	92	Very high	90	Very high	11 Å²	11	61.1 Å²	61.1	5%	0.051	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	148.4	161.5	-60.3	108.5	0	0	0	108.8	C40 C43 F47 E51 K64 C65 F66	C40-H62 VanDerWaalsContact CB-CE1 3.47Å; C40-H62 WeakPolarHBondContact CB-CE1 3.32Å; C40-H62 VanDerWaalsContact CB-ND1 3.32Å; C40-H62 WeakPolarHBondContact CB-ND1 3.47Å; C40-H62 PolarHBondContact SG-N 3.48Å; C43-H62 PolarHBondContact SG-CE1 2.9Å; C43-H62 PolarHBondContact SG-ND1 3.32Å; F47-H62 AromaticContact CD1-CD2 3.5Å; F47-H62 VanDerWaalsContact CD1-CD2 3.5Å; F47-H62 WeakPolarHBondContact CD1-CD2 3.37Å; F47-H62 AromaticContact CD1-NE2 3.37Å; F47-H62 WeakPolarHBondContact CD1-NE2 3.5Å; F47-H62 AromaticContact CE1-CD2 3.64Å; F47-H62 AromaticContact CE1-CG 3.92Å; F47-H62 AromaticContact CE1-NE2 3.71Å; E51-H62 IonicContact OE1-CD2 3.67Å; E51-H62 PolarHBondContact OE1-CD2 3.38Å; E51-H62 VanDerWaalsContact OE1-CD2 3.23Å; E51-H62 IonicContact OE1-NE2 3.55Å; E51-H62 IonicContact OE2-CD2 3.44Å; E51-H62 IonicContact OE2-NE2 3.66Å; H62-K64 HydrophobicContact CB-CG 3.99Å; H62-K64 PolarHBondContact O-N 2.83Å; H62-C65 HydrophobicContact CB-CB 3.84Å; H62-C65 CarbonylContact O-C 3.59Å; H62-C65 WeakPolarHBondContact O-CA 3.43Å; H62-C65 WeakPolarHBondContact O-CB 3.43Å; H62-C65 PolarHBondContact O-N 3.47Å; H62-F66 PolarHBondContact O-N 3.02Å
63	V	91	Very high	90	Very high	80 Å²	80	62.4 Å²	62.4	49%	0.485	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-52.3	-45	175.9	-179.4	0	0	0	0	111.4	K52 V54 C65 F66	K52-V63 HydrophobicContact CG-CG2 4.08Å; V54-V63 HydrophobicContact CG2-CG2 4.34Å; V63-C65 PolarHBondContact O-N 3.15Å; V63-F66 PolarHBondContact O-N 3.45Å
64	K	92.6	Very high	90	Very high	161 Å²	161	66.3 Å²	66.3	70%	0.7	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-67.2	-21.7	175.1	68.5	-176.9	-179.7	-175	0	114.4	R42 H62	R42-K64 PolarHBondContact NH1-O 3.49Å; H62-K64 HydrophobicContact CB-CG 3.99Å; H62-K64 PolarHBondContact O-N 2.83Å
65	C	92.8	Very high	90	Very high	11 Å²	11	65.7 Å²	65.7	7%	0.074	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-86.6	-23.9	-179.2	-74	0	0	0	0	111.7	R42 H62 V63 V67	R42-C65 HydrophobicContact CB-CB 4.09Å; R42-C65 WeakPolarHBondContact CD-O 3.25Å; R42-C65 PolarHBondContact NH1-O 2.85Å; H62-C65 HydrophobicContact CB-CB 3.84Å; H62-C65 CarbonylContact O-C 3.59Å; H62-C65 WeakPolarHBondContact O-CA 3.43Å; H62-C65 WeakPolarHBondContact O-CB 3.43Å; H62-C65 PolarHBondContact O-N 3.47Å; V63-C65 PolarHBondContact O-N 3.15Å; C65-V67 PolarHBondContact O-N 3.04Å
66	F	93.4	Very high	89.9	Confident	18 Å²	18	66.1 Å²	66.1	8%	0.079	34%	0.343	C	S	.	.			trans	-81.5	84.5	179.7	-164.6	-105.7	0	0	0	111.8	L25 V54 T56 Y61 H62 V63 F75 Y80 K87	L25-F66 HydrophobicContact CD1-CD1 4.32Å; L25-F66 HydrophobicContact CD1-CE1 3.26Å; L25-F66 HydrophobicContact CD1-CE2 4.02Å; L25-F66 HydrophobicContact CD1-CZ 3.09Å; V54-F66 HydrophobicContact CB-CB 4.01Å; V54-F66 HydrophobicContact CB-CD1 4.41Å; V54-F66 HydrophobicContact CB-CD2 4.42Å; V54-F66 HydrophobicContact CB-CG 4.03Å; V54-F66 HydrophobicContact CG1-CB 4.26Å; V54-F66 HydrophobicContact CG1-CD1 3.77Å; V54-F66 HydrophobicContact CG1-CD2 3.99Å; V54-F66 HydrophobicContact CG1-CE1 4.13Å; V54-F66 HydrophobicContact CG1-CE2 4.32Å; V54-F66 HydrophobicContact CG1-CG 3.73Å; V54-F66 HydrophobicContact CG1-CZ 4.42Å; V54-F66 HydrophobicContact CG2-CB 3.87Å; V54-F66 HydrophobicContact CG2-CD1 4.36Å; V54-F66 HydrophobicContact CG2-CG 4.2Å; T56-F66 HydrophobicContact CG2-CE2 3.86Å; T56-F66 HydrophobicContact CG2-CZ 4.25Å; Y61-F66 HydrophobicContact CD1-CD2 4.44Å; Y61-F66 AromaticContact CD2-CD2 3.61Å; Y61-F66 HydrophobicContact CD2-CD2 3.61Å; Y61-F66 HydrophobicContact CD2-CE2 4.1Å; Y61-F66 AromaticContact CE2-CD2 3.99Å; Y61-F66 HydrophobicContact CE2-CD2 3.99Å; Y61-F66 HydrophobicContact CE2-CE2 4.08Å; Y61-F66 AromaticContact CG-CD2 3.85Å; Y61-F66 HydrophobicContact CG-CD2 3.85Å; H62-F66 PolarHBondContact O-N 3.02Å; V63-F66 PolarHBondContact O-N 3.45Å; F66-F75 AromaticContact CD1-CD2 3.48Å; F66-F75 HydrophobicContact CD1-CD2 3.48Å; F66-F75 VanDerWaalsContact CD1-CD2 3.48Å; F66-F75 AromaticContact CD1-CE2 3.89Å; F66-F75 HydrophobicContact CD1-CE2 3.89Å; F66-F75 HydrophobicContact CD2-CE2 4.41Å; F66-F75 AromaticContact CE1-CD2 3.22Å; F66-F75 HydrophobicContact CE1-CD2 3.22Å; F66-F75 AromaticContact CE1-CE2 3.66Å; F66-F75 HydrophobicContact CE1-CE2 3.66Å; F66-F75 HydrophobicContact CE1-CG 4.22Å; F66-F75 HydrophobicContact CE2-CE2 4.21Å; F66-F75 HydrophobicContact CG-CD2 4.25Å; F66-F75 HydrophobicContact CG-CE2 4.24Å; F66-F75 AromaticContact CZ-CD2 3.81Å; F66-F75 HydrophobicContact CZ-CD2 3.81Å; F66-F75 AromaticContact CZ-CE2 3.79Å; F66-F75 HydrophobicContact CZ-CE2 3.79Å; F66-Y80 HydrophobicContact CE1-CD1 4.33Å; F66-Y80 AromaticContact CZ-CD1 3.89Å; F66-Y80 HydrophobicContact CZ-CD1 3.89Å; F66-Y80 AromaticContact CZ-CE1 3.89Å; F66-Y80 HydrophobicContact CZ-CE1 3.89Å; F66-Y80 HydrophobicContact CZ-CG 4.34Å; F66-K87 HydrophobicContact CD2-CD 4.46Å; F66-K87 HydrophobicContact CE2-CD 3.5Å; F66-K87 HydrophobicContact CZ-CD 4Å
67	V	93.5	Very high	89.8	Confident	17 Å²	17	73.4 Å²	73.4	10%	0.103	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-141.8	165	-176.7	-53.3	0	0	0	0	110	C65 V69 F72 Q73 F75	C65-V67 PolarHBondContact O-N 3.04Å; V67-V69 PolarHBondContact O-N 2.79Å; V67-F72 WeakPolarHBondContact CB-O 3.45Å; V67-F72 HydrophobicContact CG2-CB 4.26Å; V67-F72 HydrophobicContact CG2-CD1 4.39Å; V67-Q73 WeakPolarHBondContact CA-O 3.27Å; V67-Q73 VanDerWaalsContact CB-O 3.31Å; V67-Q73 WeakPolarHBondContact CB-O 3.41Å; V67-F75 WeakPolarHBondContact O-CE2 3.37Å; V67-F75 VanDerWaalsContact O-CZ 3.29Å; V67-F75 WeakPolarHBondContact O-CZ 3.45Å
68	C	92.5	Very high	89.9	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.337	C	S	.	.			trans	-55.4	131.5	173.3	179.2	0	0	0	0	111.3	Q70 C71 F72 Q73 F75 C89 D92	C68-Q70 PolarHBondContact O-N 2.82Å; C68-Q70 PolarHBondContact SG-N 3.32Å; C68-C71 VanDerWaalsContact CB-SG 3.5Å; C68-F72 WeakPolarHBondContact O-CA 3.5Å; C68-F72 PolarHBondContact O-N 2.98Å; C68-Q73 PolarHBondContact N-O 3.08Å; C68-F75 VanDerWaalsContact CA-CZ 3.5Å; C68-F75 HydrophobicContact CB-CE1 3.92Å; C68-F75 HydrophobicContact CB-CZ 4.37Å; C68-C89 HydrophobicContact CB-CB 4.1Å; C68-C89 PolarHBondContact SG-N 3.06Å; C68-D92 PolarHBondContact SG-OD2 2.97Å
69	V	90.9	Very high	90.3	Very high	57 Å²	57	58.2 Å²	58.2	35%	0.345	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.5	178.4	73.7	0	0	0	0	113	V67 F72 R86 K87 Y88	V67-V69 PolarHBondContact O-N 2.79Å; V69-F72 VanDerWaalsContact O-CE1 3.29Å; V69-F72 WeakPolarHBondContact O-CE1 3.34Å; V69-R86 HydrophobicContact CG1-CB 4.21Å; V69-K87 PolarHBondContact N-O 3.32Å; V69-Y88 HydrophobicContact CG1-CD1 3.59Å; V69-Y88 HydrophobicContact CG1-CE1 3.26Å; V69-Y88 HydrophobicContact CG1-CE2 4.27Å; V69-Y88 HydrophobicContact CG1-CG 4.22Å
70	Q	86.7	Confident	90.5	Very high	103 Å²	103	57.7 Å²	57.7	48%	0.481	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-59.4	-174.7	-178.4	67.3	12.5	0	0	112	C68 Y88 D92 L96	C68-Q70 PolarHBondContact O-N 2.82Å; C68-Q70 PolarHBondContact SG-N 3.32Å; Q70-Y88 HydrophobicContact CB-CD1 4.18Å; Q70-Y88 HydrophobicContact CB-CE1 4.42Å; Q70-D92 HydrophobicContact CB-CB 3.84Å; Q70-D92 WeakPolarHBondContact CB-OD2 3.43Å; Q70-D92 HydrophobicContact CG-CB 3.93Å; Q70-L96 HydrophobicContact CG-CD1 4.33Å
71	C	90.7	Very high	90.4	Very high	45 Å²	45	57.5 Å²	57.5	30%	0.304	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-6.4	-180	66.7	0	0	0	0	115.3	C68 Q73 D92	C68-C71 VanDerWaalsContact CB-SG 3.5Å; C71-Q73 HydrophobicContact CB-CG 4.27Å; C71-Q73 PolarHBondContact O-N 2.9Å; C71-Q73 VanDerWaalsContact O-N 3.08Å; C71-D92 WeakPolarHBondContact CB-OD2 3.34Å; C71-D92 PolarHBondContact N-OD2 3.42Å; C71-D92 VanDerWaalsContact N-OD2 3.07Å; C71-D92 PolarHBondContact SG-OD2 2.98Å
72	F	92.6	Very high	90.2	Very high	121 Å²	121	59.6 Å²	59.6	53%	0.531	31%	0.308	S	S	.	.			trans	59.4	14.4	-176.9	-50	-63.1	0	0	0	115.8	R42 V67 C68 V69	R42-F72 VanDerWaalsContact NH2-CD1 3.27Å; V67-F72 WeakPolarHBondContact CB-O 3.45Å; V67-F72 HydrophobicContact CG2-CB 4.26Å; V67-F72 HydrophobicContact CG2-CD1 4.39Å; C68-F72 WeakPolarHBondContact O-CA 3.5Å; C68-F72 PolarHBondContact O-N 2.98Å; V69-F72 VanDerWaalsContact O-CE1 3.29Å; V69-F72 WeakPolarHBondContact O-CE1 3.34Å
73	Q	91.5	Very high	89.7	Confident	119 Å²	119	62.5 Å²	62.5	56%	0.556	32%	0.321	S	S	*	.			trans	-81.8	145	175	-61.3	-56.7	-49.9	0	0	111.4	V67 C68 C71	V67-Q73 WeakPolarHBondContact CA-O 3.27Å; V67-Q73 VanDerWaalsContact CB-O 3.31Å; V67-Q73 WeakPolarHBondContact CB-O 3.41Å; C68-Q73 PolarHBondContact N-O 3.08Å; C71-Q73 HydrophobicContact CB-CG 4.27Å; C71-Q73 PolarHBondContact O-N 2.9Å; C71-Q73 VanDerWaalsContact O-N 3.08Å
74	P	91.3	Very high	89.4	Confident	86 Å²	86	65.5 Å²	65.5	56%	0.558	33%	0.334	S	S	*	.	B	Isolated β-bridge	trans	-55	150.3	170.2	-21.4	32.5	0	0	0	111.3	P76	P74-P76 VanDerWaalsContact O-CD 3.28Å; P74-P76 WeakPolarHBondContact O-CD 3.26Å
75	F	92.7	Very high	88.9	Confident	17 Å²	17	60.6 Å²	60.6	8%	0.075	33%	0.329	C	S	.	.			trans	-77.1	115.4	177.1	-62	-67.3	0	0	0	110.3	F66 V67 C68 E77 G78 V79 Y80 K87 Y88	F66-F75 AromaticContact CD1-CD2 3.48Å; F66-F75 HydrophobicContact CD1-CD2 3.48Å; F66-F75 VanDerWaalsContact CD1-CD2 3.48Å; F66-F75 AromaticContact CD1-CE2 3.89Å; F66-F75 HydrophobicContact CD1-CE2 3.89Å; F66-F75 HydrophobicContact CD2-CE2 4.41Å; F66-F75 AromaticContact CE1-CD2 3.22Å; F66-F75 HydrophobicContact CE1-CD2 3.22Å; F66-F75 AromaticContact CE1-CE2 3.66Å; F66-F75 HydrophobicContact CE1-CE2 3.66Å; F66-F75 HydrophobicContact CE1-CG 4.22Å; F66-F75 HydrophobicContact CE2-CE2 4.21Å; F66-F75 HydrophobicContact CG-CD2 4.25Å; F66-F75 HydrophobicContact CG-CE2 4.24Å; F66-F75 AromaticContact CZ-CD2 3.81Å; F66-F75 HydrophobicContact CZ-CD2 3.81Å; F66-F75 AromaticContact CZ-CE2 3.79Å; F66-F75 HydrophobicContact CZ-CE2 3.79Å; V67-F75 WeakPolarHBondContact O-CE2 3.37Å; V67-F75 VanDerWaalsContact O-CZ 3.29Å; V67-F75 WeakPolarHBondContact O-CZ 3.45Å; C68-F75 VanDerWaalsContact CA-CZ 3.5Å; C68-F75 HydrophobicContact CB-CE1 3.92Å; C68-F75 HydrophobicContact CB-CZ 4.37Å; F75-E77 PolarHBondContact O-N 3.19Å; F75-G78 PolarHBondContact O-N 2.68Å; F75-V79 WeakPolarHBondContact CB-O 3.47Å; F75-Y80 VanDerWaalsContact CD1-CB 3.43Å; F75-Y80 VanDerWaalsContact CE1-CB 3.49Å; F75-K87 HydrophobicContact CE2-CB 4.26Å; F75-K87 HydrophobicContact CZ-CB 3.65Å; F75-Y88 WeakPolarHBondContact CE1-O 3.38Å
76	P	84.6	Confident	88.6	Confident	92 Å²	92	66.7 Å²	66.7	60%	0.597	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-57.5	131.6	175.7	-21.6	34.2	0	0	0	110	P74 G78 V79	P74-P76 VanDerWaalsContact O-CD 3.28Å; P74-P76 WeakPolarHBondContact O-CD 3.26Å; P76-G78 PolarHBondContact O-N 2.84Å; P76-V79 PolarHBondContact O-N 3.46Å
77	E	82.8	Confident	88.5	Confident	174 Å²	174	66.8 Å²	66.8	81%	0.813	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	57	16.2	177.9	-57.7	177.1	-179.4	0	0	114.7	F75 V79	F75-E77 PolarHBondContact O-N 3.19Å; E77-V79 VanDerWaalsContact C-N 3.25Å; E77-V79 HydrophobicContact CB-CG2 4.25Å; E77-V79 PolarHBondContact O-N 2.62Å
78	G	83.3	Confident	88.3	Confident	7 Å²	7	66.6 Å²	66.6	7%	0.072	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	73.7	12.7	-175.2	0	0	0	0	0	114.3	L25 F75 P76 Y80	L25-G78 PolarHBondContact N-O 3.5Å; L25-G78 VanDerWaalsContact N-O 3.07Å; F75-G78 PolarHBondContact O-N 2.68Å; P76-G78 PolarHBondContact O-N 2.84Å; G78-Y80 WeakPolarHBondContact O-CD1 3.33Å
79	V	89.7	Confident	88.1	Confident	34 Å²	34	67.6 Å²	67.6	21%	0.206	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125	179.7	-172.5	0	0	0	0	110.8	Q22 E24 F75 P76 E77	Q22-V79 HydrophobicContact CG-CG1 3.77Å; E24-V79 HydrophobicContact CG-CG2 4.26Å; F75-V79 WeakPolarHBondContact CB-O 3.47Å; P76-V79 PolarHBondContact O-N 3.46Å; E77-V79 VanDerWaalsContact C-N 3.25Å; E77-V79 HydrophobicContact CB-CG2 4.25Å; E77-V79 PolarHBondContact O-N 2.62Å
80	Y	91.6	Very high	88	Confident	9 Å²	9	69.8 Å²	69.8	4%	0.035	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	161.2	178.1	64.1	-79.1	0	0	0	111.5	V23 L25 F66 F75 G78 E82 K87 Y88	V23-Y80 HydrophobicContact CB-CD1 4.37Å; V23-Y80 HydrophobicContact CB-CD2 4.31Å; V23-Y80 HydrophobicContact CB-CE1 3.79Å; V23-Y80 HydrophobicContact CB-CE2 3.79Å; V23-Y80 HydrophobicContact CG1-CE1 3.8Å; V23-Y80 HydrophobicContact CG1-CE2 4.24Å; V23-Y80 VanDerWaalsContact CG1-OH 3.25Å; V23-Y80 WeakPolarHBondContact CG1-OH 3.47Å; V23-Y80 HydrophobicContact CG2-CE2 4.16Å; V23-Y80 PolarHBondContact N-O 2.86Å; V23-Y80 WeakPolarHBondContact O-CD1 2.96Å; V23-Y80 PolarHBondContact O-N 3.25Å; L25-Y80 HydrophobicContact CB-CE1 4.45Å; L25-Y80 HydrophobicContact CD1-CD1 3.93Å; L25-Y80 HydrophobicContact CD1-CE1 3.25Å; L25-Y80 HydrophobicContact CG-CE1 3.72Å; F66-Y80 HydrophobicContact CE1-CD1 4.33Å; F66-Y80 AromaticContact CZ-CD1 3.89Å; F66-Y80 HydrophobicContact CZ-CD1 3.89Å; F66-Y80 AromaticContact CZ-CE1 3.89Å; F66-Y80 HydrophobicContact CZ-CE1 3.89Å; F66-Y80 HydrophobicContact CZ-CG 4.34Å; F75-Y80 VanDerWaalsContact CD1-CB 3.43Å; F75-Y80 VanDerWaalsContact CE1-CB 3.49Å; G78-Y80 WeakPolarHBondContact O-CD1 3.33Å; Y80-E82 HydrophobicContact CD2-CB 4.44Å; Y80-E82 HydrophobicContact CE2-CB 4.25Å; Y80-K87 HydrophobicContact CD2-CB 3.85Å; Y80-K87 HydrophobicContact CD2-CD 3.88Å; Y80-K87 HydrophobicContact CD2-CG 3.62Å; Y80-K87 HydrophobicContact CE2-CB 4.46Å; Y80-K87 HydrophobicContact CE2-CD 3.69Å; Y80-K87 HydrophobicContact CE2-CG 3.73Å; Y80-Y88 WeakPolarHBondContact CA-O 3.01Å
81	Y	89.8	Confident	88	Confident	23 Å²	23	70.9 Å²	70.9	9%	0.09	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125.5	175.7	-72.4	-106.3	0	0	0	109.1	Y21 Q22 K87 Y88 E90 F93	Y21-Y81 CarbonylContact O-C 3.58Å; Y21-Y81 VanDerWaalsContact O-CA 3.27Å; Y21-Y81 WeakPolarHBondContact O-CA 3.48Å; Q22-Y81 HydrophobicContact CB-CD1 4.39Å; Q22-Y81 HydrophobicContact CB-CE1 3.93Å; Q22-Y81 HydrophobicContact CB-CE2 4.47Å; Q22-Y81 HydrophobicContact CG-CE2 4.36Å; Q22-Y81 PolarHBondContact OE1-OH 3.23Å; Y81-K87 CarbonylContact O-C 3.54Å; Y81-K87 WeakPolarHBondContact O-CA 2.88Å; Y81-Y88 PolarHBondContact N-O 3.04Å; Y81-Y88 PolarHBondContact O-N 3.22Å; Y81-E90 HydrophobicContact CD2-CB 4.09Å; Y81-E90 HydrophobicContact CE2-CB 3.53Å; Y81-E90 HydrophobicContact CE2-CG 3.69Å; Y81-F93 VanDerWaalsContact CB-CG 3.46Å; Y81-F93 HydrophobicContact CD1-CB 4.32Å; Y81-F93 AromaticContact CD1-CD1 3.4Å; Y81-F93 HydrophobicContact CD1-CD1 3.4Å; Y81-F93 VanDerWaalsContact CD1-CD1 3.4Å; Y81-F93 HydrophobicContact CD1-CD2 4.4Å; Y81-F93 AromaticContact CD1-CE1 3.78Å; Y81-F93 HydrophobicContact CD1-CE1 3.78Å; Y81-F93 AromaticContact CD1-CG 3.76Å; Y81-F93 HydrophobicContact CD1-CG 3.76Å; Y81-F93 HydrophobicContact CD1-CZ 4.45Å; Y81-F93 HydrophobicContact CD2-CB 4.42Å; Y81-F93 HydrophobicContact CE1-CD1 4.09Å; Y81-F93 HydrophobicContact CE1-CE1 4.47Å; Y81-F93 HydrophobicContact CG-CB 3.91Å; Y81-F93 AromaticContact CG-CD1 3.87Å; Y81-F93 HydrophobicContact CG-CD1 3.87Å; Y81-F93 HydrophobicContact CG-CD2 4.27Å; Y81-F93 AromaticContact CG-CG 3.72Å; Y81-F93 HydrophobicContact CG-CG 3.72Å
82	E	88.1	Confident	87.7	Confident	67 Å²	67	69.7 Å²	69.7	31%	0.313	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.8	179.4	-172.9	160.6	155.2	0	0	111.8	Y21 Y80 R86 K87	Y21-E82 VanDerWaalsContact CD1-O 3.29Å; Y21-E82 WeakPolarHBondContact CD1-O 3.47Å; Y21-E82 PolarHBondContact O-N 3.03Å; Y80-E82 HydrophobicContact CD2-CB 4.44Å; Y80-E82 HydrophobicContact CE2-CB 4.25Å; E82-R86 VanDerWaalsContact CA-O 3.31Å; E82-R86 WeakPolarHBondContact CA-O 3.46Å; E82-K87 IonicContact OE1-NZ 3.87Å; E82-K87 WeakPolarHBondContact OE2-CE 3.42Å; E82-K87 IonicContact OE2-NZ 2.75Å; E82-K87 PolarHBondContact OE2-NZ 3.49Å
83	F	82.1	Confident	87.4	Confident	72 Å²	72	64.2 Å²	64.2	32%	0.316	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	127.5	175.8	-175.2	-89.2	0	0	0	110.3	Y21 G85 R86 Y88 F93 F97	Y21-F83 HydrophobicContact CD1-CD2 4.16Å; Y21-F83 AromaticContact CE1-CD2 3.66Å; Y21-F83 HydrophobicContact CE1-CD2 3.66Å; Y21-F83 HydrophobicContact CE1-CE2 4.21Å; Y21-F83 AromaticContact CZ-CD2 3.95Å; F83-G85 VanDerWaalsContact C-N 3.25Å; F83-G85 PolarHBondContact O-N 3.36Å; F83-R86 PolarHBondContact N-O 3.28Å; F83-R86 WeakPolarHBondContact O-CB 3.35Å; F83-R86 PolarHBondContact O-N 2.8Å; F83-Y88 HydrophobicContact CB-CE2 4.25Å; F83-F93 HydrophobicContact CB-CE2 3.77Å; F83-F93 HydrophobicContact CD2-CE2 4.43Å; F83-F93 HydrophobicContact CG-CE2 4.32Å; F83-F97 HydrophobicContact CB-CE2 4.46Å; F83-F97 HydrophobicContact CB-CZ 4.49Å; F83-F97 HydrophobicContact CD1-CD1 4.28Å; F83-F97 AromaticContact CD1-CE1 3.6Å; F83-F97 HydrophobicContact CD1-CE1 3.6Å; F83-F97 HydrophobicContact CD1-CE2 4.38Å; F83-F97 AromaticContact CD1-CZ 3.66Å; F83-F97 HydrophobicContact CD1-CZ 3.66Å; F83-F97 HydrophobicContact CE1-CD1 4.17Å; F83-F97 AromaticContact CE1-CE1 3.63Å; F83-F97 HydrophobicContact CE1-CE1 3.63Å; F83-F97 HydrophobicContact CE1-CZ 4.18Å; F83-F97 HydrophobicContact CG-CE1 4.29Å; F83-F97 HydrophobicContact CG-CZ 4.21Å; F83-F97 HydrophobicContact CZ-CD1 4.45Å; F83-F97 HydrophobicContact CZ-CE1 4.34Å
84	D	83.5	Confident	87	Confident	143 Å²	143	59.7 Å²	59.7	77%	0.765	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	44	-178.1	-161.8	28	0	0	0	112.9	R86	D84-R86 PolarHBondContact O-N 3.04Å
85	G	83.3	Confident	86.2	Confident	57 Å²	57	59 Å²	59	59%	0.588	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	3.7	-178.5	0	0	0	0	0	115.4	F83	F83-G85 VanDerWaalsContact C-N 3.25Å; F83-G85 PolarHBondContact O-N 3.36Å
86	R	86.4	Confident	85.5	Confident	140 Å²	140	62 Å²	62	53%	0.528	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	143.4	179.6	-62.4	179.2	-176.3	-162.9	2.4	111.1	V69 E82 F83 D84 Y88	V69-R86 HydrophobicContact CG1-CB 4.21Å; E82-R86 VanDerWaalsContact CA-O 3.31Å; E82-R86 WeakPolarHBondContact CA-O 3.46Å; F83-R86 PolarHBondContact N-O 3.28Å; F83-R86 WeakPolarHBondContact O-CB 3.35Å; F83-R86 PolarHBondContact O-N 2.8Å; D84-R86 PolarHBondContact O-N 3.04Å; R86-Y88 HydrophobicContact CB-CD2 4.4Å; R86-Y88 HydrophobicContact CB-CE2 3.55Å; R86-Y88 WeakPolarHBondContact CD-OH 3.35Å
87	K	90.9	Very high	85.3	Confident	19 Å²	19	60.8 Å²	60.8	8%	0.083	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.9	-176.4	-61.3	175	169	45.7	0	110.2	Y61 F66 V69 F75 Y80 Y81 E82	Y61-K87 PolarHBondContact OH-NZ 3.48Å; F66-K87 HydrophobicContact CD2-CD 4.46Å; F66-K87 HydrophobicContact CE2-CD 3.5Å; F66-K87 HydrophobicContact CZ-CD 4Å; V69-K87 PolarHBondContact N-O 3.32Å; F75-K87 HydrophobicContact CE2-CB 4.26Å; F75-K87 HydrophobicContact CZ-CB 3.65Å; Y80-K87 HydrophobicContact CD2-CB 3.85Å; Y80-K87 HydrophobicContact CD2-CD 3.88Å; Y80-K87 HydrophobicContact CD2-CG 3.62Å; Y80-K87 HydrophobicContact CE2-CB 4.46Å; Y80-K87 HydrophobicContact CE2-CD 3.69Å; Y80-K87 HydrophobicContact CE2-CG 3.73Å; Y81-K87 CarbonylContact O-C 3.54Å; Y81-K87 WeakPolarHBondContact O-CA 2.88Å; E82-K87 IonicContact OE1-NZ 3.87Å; E82-K87 WeakPolarHBondContact OE2-CE 3.42Å; E82-K87 IonicContact OE2-NZ 2.75Å; E82-K87 PolarHBondContact OE2-NZ 3.49Å
88	Y	89.2	Confident	85.2	Confident	14 Å²	14	53.1 Å²	53.1	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.8	-175.8	-60.8	-90.3	0	0	0	110.5	V69 Q70 F75 Y80 Y81 F83 R86 D92 F93 L96 F97	V69-Y88 HydrophobicContact CG1-CD1 3.59Å; V69-Y88 HydrophobicContact CG1-CE1 3.26Å; V69-Y88 HydrophobicContact CG1-CE2 4.27Å; V69-Y88 HydrophobicContact CG1-CG 4.22Å; Q70-Y88 HydrophobicContact CB-CD1 4.18Å; Q70-Y88 HydrophobicContact CB-CE1 4.42Å; F75-Y88 WeakPolarHBondContact CE1-O 3.38Å; Y80-Y88 WeakPolarHBondContact CA-O 3.01Å; Y81-Y88 PolarHBondContact N-O 3.04Å; Y81-Y88 PolarHBondContact O-N 3.22Å; F83-Y88 HydrophobicContact CB-CE2 4.25Å; R86-Y88 HydrophobicContact CB-CD2 4.4Å; R86-Y88 HydrophobicContact CB-CE2 3.55Å; R86-Y88 WeakPolarHBondContact CD-OH 3.35Å; Y88-D92 HydrophobicContact CD1-CB 4.48Å; Y88-F93 HydrophobicContact CD2-CD2 4.2Å; Y88-F93 HydrophobicContact CG-CD2 4.43Å; Y88-L96 HydrophobicContact CD1-CD1 3.81Å; Y88-L96 HydrophobicContact CE1-CD1 3.46Å; Y88-L96 VanDerWaalsContact CE1-CD1 3.46Å; Y88-F97 HydrophobicContact CD1-CE2 4.43Å; Y88-F97 HydrophobicContact CD2-CE2 4.07Å; Y88-F97 HydrophobicContact CE1-CE2 4.18Å; Y88-F97 HydrophobicContact CE1-CZ 4.43Å; Y88-F97 AromaticContact CE2-CE2 3.8Å; Y88-F97 HydrophobicContact CE2-CE2 3.8Å; Y88-F97 HydrophobicContact CE2-CZ 4Å; Y88-F97 HydrophobicContact CG-CE2 4.38Å; Y88-F97 AromaticContact CZ-CE2 3.86Å; Y88-F97 AromaticContact CZ-CZ 3.85Å
89	C	89.2	Confident	85.2	Confident	20 Å²	20	54.2 Å²	54.2	14%	0.135	28%	0.28	C	S	.	.			trans	-72.4	160.2	163.2	70.9	0	0	0	0	109	C68 H91 D92 F93	C68-C89 HydrophobicContact CB-CB 4.1Å; C68-C89 PolarHBondContact SG-N 3.06Å; C89-H91 VanDerWaalsContact C-N 3.26Å; C89-H91 PolarHBondContact O-N 3.06Å; C89-D92 PolarHBondContact O-N 2.85Å; C89-D92 VanDerWaalsContact SG-CG 3.51Å; C89-D92 PolarHBondContact SG-N 2.95Å; C89-D92 VanDerWaalsContact SG-N 3.43Å; C89-D92 PolarHBondContact SG-OD2 2.89Å; C89-F93 WeakPolarHBondContact O-CB 3.31Å; C89-F93 PolarHBondContact O-N 3.24Å
90	E	88.9	Confident	84.9	Confident	104 Å²	104	55.8 Å²	55.8	49%	0.486	29%	0.291	S	S	.	.	H	α-helix	trans	-51	-46	179.6	-174.8	-176.7	172.2	0	0	112.7	Y81 F93 H94	Y81-E90 HydrophobicContact CD2-CB 4.09Å; Y81-E90 HydrophobicContact CE2-CB 3.53Å; Y81-E90 HydrophobicContact CE2-CG 3.69Å; E90-F93 PolarHBondContact O-N 3.21Å; E90-H94 WeakPolarHBondContact CG-CE1 3.49Å; E90-H94 PolarHBondContact O-N 3.02Å; E90-H94 PolarHBondContact O-ND1 3.29Å; E90-H94 IonicContact OE1-CE1 2.82Å; E90-H94 PolarHBondContact OE1-CE1 2.92Å
91	H	86	Confident	84.9	Confident	125 Å²	125	55.5 Å²	55.5	58%	0.579	29%	0.291	S	S	*	.	H	α-helix	trans	-61.2	-53.5	-178.9	-178.5	74.8	0	0	0	112.2	C89 F93 H94 V95	C89-H91 VanDerWaalsContact C-N 3.26Å; C89-H91 PolarHBondContact O-N 3.06Å; H91-F93 VanDerWaalsContact C-N 3.26Å; H91-F93 PolarHBondContact O-N 3.34Å; H91-H94 PolarHBondContact O-N 3.21Å; H91-V95 VanDerWaalsContact O-CG2 3.26Å; H91-V95 WeakPolarHBondContact O-CG2 3.47Å; H91-V95 PolarHBondContact O-N 3.24Å
92	D	84.7	Confident	84.9	Confident	20 Å²	20	56.3 Å²	56.3	11%	0.107	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-34.9	-179.4	-71.4	-30	0	0	0	111.2	C68 Q70 C71 Y88 C89 V95 L96	C68-D92 PolarHBondContact SG-OD2 2.97Å; Q70-D92 HydrophobicContact CB-CB 3.84Å; Q70-D92 WeakPolarHBondContact CB-OD2 3.43Å; Q70-D92 HydrophobicContact CG-CB 3.93Å; C71-D92 WeakPolarHBondContact CB-OD2 3.34Å; C71-D92 PolarHBondContact N-OD2 3.42Å; C71-D92 VanDerWaalsContact N-OD2 3.07Å; C71-D92 PolarHBondContact SG-OD2 2.98Å; Y88-D92 HydrophobicContact CD1-CB 4.48Å; C89-D92 PolarHBondContact O-N 2.85Å; C89-D92 VanDerWaalsContact SG-CG 3.51Å; C89-D92 PolarHBondContact SG-N 2.95Å; C89-D92 VanDerWaalsContact SG-N 3.43Å; C89-D92 PolarHBondContact SG-OD2 2.89Å; D92-V95 PolarHBondContact O-N 3.34Å; D92-L96 WeakPolarHBondContact O-CB 3.29Å; D92-L96 WeakPolarHBondContact O-CD1 3.29Å; D92-L96 WeakPolarHBondContact O-CG 3.11Å; D92-L96 PolarHBondContact O-N 3.36Å
93	F	85.7	Confident	85.1	Confident	7 Å²	7	58.5 Å²	58.5	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-62.1	-48.5	175.3	-171.9	-99.1	0	0	0	111.5	Y21 Y81 F83 Y88 C89 E90 H91 V95 L96 F97	Y21-F93 HydrophobicContact CD1-CZ 4.45Å; Y21-F93 AromaticContact CD2-CE1 3.88Å; Y21-F93 HydrophobicContact CD2-CE1 3.88Å; Y21-F93 HydrophobicContact CD2-CE2 4.44Å; Y21-F93 AromaticContact CD2-CZ 3.39Å; Y21-F93 HydrophobicContact CD2-CZ 3.39Å; Y21-F93 HydrophobicContact CE2-CZ 4.06Å; Y21-F93 HydrophobicContact CG-CE1 4.32Å; Y21-F93 HydrophobicContact CG-CE2 4.3Å; Y21-F93 AromaticContact CG-CZ 3.62Å; Y21-F93 HydrophobicContact CG-CZ 3.62Å; Y81-F93 VanDerWaalsContact CB-CG 3.46Å; Y81-F93 HydrophobicContact CD1-CB 4.32Å; Y81-F93 AromaticContact CD1-CD1 3.4Å; Y81-F93 HydrophobicContact CD1-CD1 3.4Å; Y81-F93 VanDerWaalsContact CD1-CD1 3.4Å; Y81-F93 HydrophobicContact CD1-CD2 4.4Å; Y81-F93 AromaticContact CD1-CE1 3.78Å; Y81-F93 HydrophobicContact CD1-CE1 3.78Å; Y81-F93 AromaticContact CD1-CG 3.76Å; Y81-F93 HydrophobicContact CD1-CG 3.76Å; Y81-F93 HydrophobicContact CD1-CZ 4.45Å; Y81-F93 HydrophobicContact CD2-CB 4.42Å; Y81-F93 HydrophobicContact CE1-CD1 4.09Å; Y81-F93 HydrophobicContact CE1-CE1 4.47Å; Y81-F93 HydrophobicContact CG-CB 3.91Å; Y81-F93 AromaticContact CG-CD1 3.87Å; Y81-F93 HydrophobicContact CG-CD1 3.87Å; Y81-F93 HydrophobicContact CG-CD2 4.27Å; Y81-F93 AromaticContact CG-CG 3.72Å; Y81-F93 HydrophobicContact CG-CG 3.72Å; F83-F93 HydrophobicContact CB-CE2 3.77Å; F83-F93 HydrophobicContact CD2-CE2 4.43Å; F83-F93 HydrophobicContact CG-CE2 4.32Å; Y88-F93 HydrophobicContact CD2-CD2 4.2Å; Y88-F93 HydrophobicContact CG-CD2 4.43Å; C89-F93 WeakPolarHBondContact O-CB 3.31Å; C89-F93 PolarHBondContact O-N 3.24Å; E90-F93 PolarHBondContact O-N 3.21Å; H91-F93 VanDerWaalsContact C-N 3.26Å; H91-F93 PolarHBondContact O-N 3.34Å; F93-V95 PolarHBondContact O-N 3.38Å; F93-L96 PolarHBondContact O-N 3.32Å; F93-F97 AromaticContact CD2-CD2 3.3Å; F93-F97 HydrophobicContact CD2-CD2 3.3Å; F93-F97 AromaticContact CD2-CE2 3.69Å; F93-F97 HydrophobicContact CD2-CE2 3.69Å; F93-F97 HydrophobicContact CD2-CG 4.36Å; F93-F97 HydrophobicContact CE1-CB 4.47Å; F93-F97 HydrophobicContact CE2-CB 4.31Å; F93-F97 AromaticContact CE2-CD2 3.32Å; F93-F97 HydrophobicContact CE2-CD2 3.32Å; F93-F97 AromaticContact CE2-CE2 3.83Å; F93-F97 HydrophobicContact CE2-CE2 3.83Å; F93-F97 HydrophobicContact CE2-CG 4.01Å; F93-F97 AromaticContact CG-CD2 3.96Å; F93-F97 HydrophobicContact CG-CD2 3.96Å; F93-F97 HydrophobicContact CZ-CB 4.17Å; F93-F97 HydrophobicContact CZ-CD2 4.03Å; F93-F97 HydrophobicContact CZ-CG 4.36Å; F93-F97 WeakPolarHBondContact O-CB 3.4Å; F93-F97 VanDerWaalsContact O-CD2 3.26Å; F93-F97 WeakPolarHBondContact O-CD2 3.47Å; F93-F97 PolarHBondContact O-N 2.93Å
94	H	82.8	Confident	85.6	Confident	23 Å²	23	58 Å²	58	11%	0.106	32%	0.319	C	S	.	.	H	α-helix	trans	-63.6	-42.1	177.6	-67.8	152.2	0	0	0	112.4	E90 H91 L96 A98 F107	E90-H94 WeakPolarHBondContact CG-CE1 3.49Å; E90-H94 PolarHBondContact O-N 3.02Å; E90-H94 PolarHBondContact O-ND1 3.29Å; E90-H94 IonicContact OE1-CE1 2.82Å; E90-H94 PolarHBondContact OE1-CE1 2.92Å; H91-H94 PolarHBondContact O-N 3.21Å; H94-L96 VanDerWaalsContact C-N 3.28Å; H94-L96 PolarHBondContact O-N 3.03Å; H94-A98 HydrophobicContact CB-CB 4.15Å; H94-A98 WeakPolarHBondContact O-CB 3.36Å; H94-A98 PolarHBondContact O-N 3.26Å; H94-F107 HydrophobicContact CB-CD2 3.87Å; H94-F107 HydrophobicContact CB-CE2 4.3Å; H94-F107 HydrophobicContact CB-CG 4.22Å
95	V	75	Confident	85.8	Confident	73 Å²	73	53.4 Å²	53.4	44%	0.442	31%	0.306	S	S	.	.	H	α-helix	trans	-60.4	-38.9	177.6	171.5	0	0	0	0	112	H91 D92 F93 F107	H91-V95 VanDerWaalsContact O-CG2 3.26Å; H91-V95 WeakPolarHBondContact O-CG2 3.47Å; H91-V95 PolarHBondContact O-N 3.24Å; D92-V95 PolarHBondContact O-N 3.34Å; F93-V95 PolarHBondContact O-N 3.38Å; V95-F107 HydrophobicContact CB-CZ 4.14Å; V95-F107 HydrophobicContact CG2-CE2 3.84Å; V95-F107 HydrophobicContact CG2-CZ 3.69Å
96	L	77.5	Confident	85.9	Confident	79 Å²	79	54.3 Å²	54.3	41%	0.414	30%	0.302	S	S	.	.	H	α-helix	trans	-85.6	-33.1	-175.5	-68.3	171.9	0	0	0	113.4	Q70 Y88 D92 F93 H94	Q70-L96 HydrophobicContact CG-CD1 4.33Å; Y88-L96 HydrophobicContact CD1-CD1 3.81Å; Y88-L96 HydrophobicContact CE1-CD1 3.46Å; Y88-L96 VanDerWaalsContact CE1-CD1 3.46Å; D92-L96 WeakPolarHBondContact O-CB 3.29Å; D92-L96 WeakPolarHBondContact O-CD1 3.29Å; D92-L96 WeakPolarHBondContact O-CG 3.11Å; D92-L96 PolarHBondContact O-N 3.36Å; F93-L96 PolarHBondContact O-N 3.32Å; H94-L96 VanDerWaalsContact C-N 3.28Å; H94-L96 PolarHBondContact O-N 3.03Å
97	F	81.5	Confident	85.7	Confident	67 Å²	67	51 Å²	51	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-127.2	-18.4	-165.2	-52.3	-69.8	0	0	0	115.1	F83 Y88 F93	F83-F97 HydrophobicContact CB-CE2 4.46Å; F83-F97 HydrophobicContact CB-CZ 4.49Å; F83-F97 HydrophobicContact CD1-CD1 4.28Å; F83-F97 AromaticContact CD1-CE1 3.6Å; F83-F97 HydrophobicContact CD1-CE1 3.6Å; F83-F97 HydrophobicContact CD1-CE2 4.38Å; F83-F97 AromaticContact CD1-CZ 3.66Å; F83-F97 HydrophobicContact CD1-CZ 3.66Å; F83-F97 HydrophobicContact CE1-CD1 4.17Å; F83-F97 AromaticContact CE1-CE1 3.63Å; F83-F97 HydrophobicContact CE1-CE1 3.63Å; F83-F97 HydrophobicContact CE1-CZ 4.18Å; F83-F97 HydrophobicContact CG-CE1 4.29Å; F83-F97 HydrophobicContact CG-CZ 4.21Å; F83-F97 HydrophobicContact CZ-CD1 4.45Å; F83-F97 HydrophobicContact CZ-CE1 4.34Å; Y88-F97 HydrophobicContact CD1-CE2 4.43Å; Y88-F97 HydrophobicContact CD2-CE2 4.07Å; Y88-F97 HydrophobicContact CE1-CE2 4.18Å; Y88-F97 HydrophobicContact CE1-CZ 4.43Å; Y88-F97 AromaticContact CE2-CE2 3.8Å; Y88-F97 HydrophobicContact CE2-CE2 3.8Å; Y88-F97 HydrophobicContact CE2-CZ 4Å; Y88-F97 HydrophobicContact CG-CE2 4.38Å; Y88-F97 AromaticContact CZ-CE2 3.86Å; Y88-F97 AromaticContact CZ-CZ 3.85Å; F93-F97 AromaticContact CD2-CD2 3.3Å; F93-F97 HydrophobicContact CD2-CD2 3.3Å; F93-F97 AromaticContact CD2-CE2 3.69Å; F93-F97 HydrophobicContact CD2-CE2 3.69Å; F93-F97 HydrophobicContact CD2-CG 4.36Å; F93-F97 HydrophobicContact CE1-CB 4.47Å; F93-F97 HydrophobicContact CE2-CB 4.31Å; F93-F97 AromaticContact CE2-CD2 3.32Å; F93-F97 HydrophobicContact CE2-CD2 3.32Å; F93-F97 AromaticContact CE2-CE2 3.83Å; F93-F97 HydrophobicContact CE2-CE2 3.83Å; F93-F97 HydrophobicContact CE2-CG 4.01Å; F93-F97 AromaticContact CG-CD2 3.96Å; F93-F97 HydrophobicContact CG-CD2 3.96Å; F93-F97 HydrophobicContact CZ-CB 4.17Å; F93-F97 HydrophobicContact CZ-CD2 4.03Å; F93-F97 HydrophobicContact CZ-CG 4.36Å; F93-F97 WeakPolarHBondContact O-CB 3.4Å; F93-F97 VanDerWaalsContact O-CD2 3.26Å; F93-F97 WeakPolarHBondContact O-CD2 3.47Å; F93-F97 PolarHBondContact O-N 2.93Å
98	A	80.3	Confident	85.3	Confident	13 Å²	13	50.3 Å²	50.3	11%	0.107	29%	0.289	C	S	.	.	S	Bend	trans	-79.6	137.5	-178.6	0	0	0	0	0	111.6	H94 F107	H94-A98 HydrophobicContact CB-CB 4.15Å; H94-A98 WeakPolarHBondContact O-CB 3.36Å; H94-A98 PolarHBondContact O-N 3.26Å; A98-F107 HydrophobicContact CB-CB 3.91Å; A98-F107 HydrophobicContact CB-CD1 4.14Å; A98-F107 HydrophobicContact CB-CG 4.19Å
99	P	82.7	Confident	84.9	Confident	30 Å²	30	55.2 Å²	55.2	20%	0.195	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-69.3	141.3	175.9	26.2	-30.1	0	0	0	111.2	I108 V112 N119	P99-I108 HydrophobicContact CG-CB 4.28Å; P99-I108 HydrophobicContact CG-CD1 4.48Å; P99-I108 PolarHBondContact O-N 3.44Å; P99-V112 HydrophobicContact CG-CG1 4.38Å; P99-V112 HydrophobicContact CG-CG2 3.9Å; P99-N119 HydrophobicContact CB-CB 3.93Å
100	C	84.2	Confident	84.5	Confident	67 Å²	67	56 Å²	56	45%	0.453	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-88.4	140.4	174.8	-59.5	0	0	0	0	111.7
101	C	92.1	Very high	84.3	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.02	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-73.5	130.2	176.8	179.1	0	0	0	0	112.4	K103 C104 G105 C106 I108 N119 H121 C124	C101-K103 PolarHBondContact O-N 2.97Å; C101-K103 VanDerWaalsContact O-N 3.16Å; C101-K103 PolarHBondContact SG-N 3.48Å; C101-C104 VanDerWaalsContact CB-SG 3.54Å; C101-C104 VanDerWaalsContact SG-SG 3.7Å; C101-G105 VanDerWaalsContact O-CA 3.26Å; C101-G105 WeakPolarHBondContact O-CA 3.47Å; C101-G105 PolarHBondContact O-N 2.91Å; C101-C106 PolarHBondContact N-O 3.37Å; C101-I108 HydrophobicContact CB-CD1 4.08Å; C101-I108 HydrophobicContact CB-CG1 3.86Å; C101-N119 CarbonylContact C-O 3.52Å; C101-N119 VanDerWaalsContact CA-O 3.31Å; C101-N119 WeakPolarHBondContact CA-O 3.47Å; C101-H121 VanDerWaalsContact CB-CE1 3.42Å; C101-H121 WeakPolarHBondContact CB-CE1 2.95Å; C101-H121 WeakPolarHBondContact CB-ND1 3.43Å; C101-H121 PolarHBondContact SG-ND1 3.35Å; C101-C124 WeakPolarHBondContact SG-CB 3.38Å; C101-C124 VanDerWaalsContact SG-SG 3.67Å
102	G	88.5	Confident	84.4	Confident	39 Å²	39	50.1 Å²	50.1	40%	0.402	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.8	178.3	0	0	0	0	0	115	N119 W120	G102-N119 PolarHBondContact N-O 2.89Å; G102-W120 VanDerWaalsContact C-CZ3 3.48Å
103	K	92.4	Very high	84.8	Confident	113 Å²	113	49.1 Å²	49.1	49%	0.491	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-55.9	176.9	-171.3	172.3	177.7	175.5	0	112.8	C101 W120 C124 D131	C101-K103 PolarHBondContact O-N 2.97Å; C101-K103 VanDerWaalsContact O-N 3.16Å; C101-K103 PolarHBondContact SG-N 3.48Å; K103-W120 HydrophobicContact CB-CE3 4.02Å; K103-W120 HydrophobicContact CB-CZ3 3.89Å; K103-C124 HydrophobicContact CB-CB 3.84Å; K103-C124 HydrophobicContact CD-CB 4.1Å; K103-C124 WeakPolarHBondContact CD-O 3.29Å; K103-D131 IonicContact NZ-OD1 3.91Å
104	C	93.2	Very high	85	Confident	61 Å²	61	52.7 Å²	52.7	41%	0.412	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-11.9	-172.2	65.9	0	0	0	0	114.1	C101 C106 H121	C101-C104 VanDerWaalsContact CB-SG 3.54Å; C101-C104 VanDerWaalsContact SG-SG 3.7Å; C104-C106 PolarHBondContact O-N 3.37Å; C104-C106 VanDerWaalsContact O-N 3.17Å; C104-H121 PolarHBondContact SG-CE1 2.79Å; C104-H121 PolarHBondContact SG-ND1 3.27Å; C104-H121 VanDerWaalsContact SG-ND1 3.38Å
105	G	87.7	Confident	85.3	Confident	48 Å²	48	52.1 Å²	52.1	50%	0.495	31%	0.306	S	S	.	.			trans	75.7	-12.4	-176.9	0	0	0	0	0	115.1	C101	C101-G105 VanDerWaalsContact O-CA 3.26Å; C101-G105 WeakPolarHBondContact O-CA 3.47Å; C101-G105 PolarHBondContact O-N 2.91Å
106	C	84.9	Confident	86	Confident	76 Å²	76	50.4 Å²	50.4	51%	0.514	29%	0.293	S	S	.	.			trans	-70.4	156	179.1	-56.7	0	0	0	0	112.3	C101 C104	C101-C106 PolarHBondContact N-O 3.37Å; C104-C106 PolarHBondContact O-N 3.37Å; C104-C106 VanDerWaalsContact O-N 3.17Å
107	F	81.8	Confident	86.4	Confident	71 Å²	71	54.1 Å²	54.1	31%	0.311	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-59.5	139.7	172	-55.5	-51.6	0	0	0	111.2	H94 V95 A98 H121	H94-F107 HydrophobicContact CB-CD2 3.87Å; H94-F107 HydrophobicContact CB-CE2 4.3Å; H94-F107 HydrophobicContact CB-CG 4.22Å; V95-F107 HydrophobicContact CB-CZ 4.14Å; V95-F107 HydrophobicContact CG2-CE2 3.84Å; V95-F107 HydrophobicContact CG2-CZ 3.69Å; A98-F107 HydrophobicContact CB-CB 3.91Å; A98-F107 HydrophobicContact CB-CD1 4.14Å; A98-F107 HydrophobicContact CB-CG 4.19Å; F107-H121 PolarHBondContact O-NE2 3.46Å
108	I	83.3	Confident	86.9	Confident	3 Å²	3	57.8 Å²	57.8	2%	0.015	33%	0.327	C	S	.	.			trans	-96	112.9	174.6	-52.4	161.4	0	0	0	108	P99 C101 R111 V112 N119 W120 H121	P99-I108 HydrophobicContact CG-CB 4.28Å; P99-I108 HydrophobicContact CG-CD1 4.48Å; P99-I108 PolarHBondContact O-N 3.44Å; C101-I108 HydrophobicContact CB-CD1 4.08Å; C101-I108 HydrophobicContact CB-CG1 3.86Å; I108-R111 WeakPolarHBondContact CG2-O 3.34Å; I108-V112 HydrophobicContact CB-CG2 4.23Å; I108-V112 HydrophobicContact CD1-CG1 4.12Å; I108-V112 HydrophobicContact CG2-CB 4.4Å; I108-V112 HydrophobicContact CG2-CG2 3.72Å; I108-N119 HydrophobicContact CD1-CB 3.54Å; I108-W120 VanDerWaalsContact CD1-C 3.49Å; I108-H121 WeakPolarHBondContact CA-NE2 3.19Å
109	I	79.9	Confident	87.4	Confident	117 Å²	117	59.5 Å²	59.5	60%	0.6	33%	0.334	S	S	*	.			trans	-101.7	128	174.7	-54.9	174.1	0	0	0	107.4
110	G	81.8	Confident	87.9	Confident	37 Å²	37	60 Å²	60	38%	0.381	33%	0.332	S	S	.	.	S	Bend	trans	86.3	-125.3	-178.6	0	0	0	0	0	113.7	V112	G110-V112 PolarHBondContact O-N 2.96Å
111	R	85	Confident	88.3	Confident	88 Å²	88	58.7 Å²	58.7	33%	0.332	32%	0.319	S	S	.	.			trans	-69.5	124.2	-173.3	-176.3	179.1	176.7	-163.7	0	111.1	L14 I108 P122 A135 D136	L14-R111 VanDerWaalsContact CD2-NH2 3.3Å; I108-R111 WeakPolarHBondContact CG2-O 3.34Å; R111-P122 HydrophobicContact CB-CG 4.09Å; R111-P122 HydrophobicContact CG-CG 3.96Å; R111-P122 WeakPolarHBondContact O-CD 3.45Å; R111-A135 PolarHBondContact NH2-O 2.97Å; R111-D136 IonicContact CZ-OD1 2.89Å; R111-D136 IonicContact NH1-OD1 3.64Å; R111-D136 PolarHBondContact NH1-OD1 3.36Å; R111-D136 IonicContact NH1-OD2 2.66Å; R111-D136 IonicContact NH2-OD1 3.21Å; R111-D136 PolarHBondContact NH2-OD1 2.84Å
112	V	88.3	Confident	88.4	Confident	17 Å²	17	59.9 Å²	59.9	10%	0.103	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.3	177.6	-175.9	0	0	0	0	109.7	P99 I108 G110 K114 N119	P99-V112 HydrophobicContact CG-CG1 4.38Å; P99-V112 HydrophobicContact CG-CG2 3.9Å; I108-V112 HydrophobicContact CB-CG2 4.23Å; I108-V112 HydrophobicContact CD1-CG1 4.12Å; I108-V112 HydrophobicContact CG2-CB 4.4Å; I108-V112 HydrophobicContact CG2-CG2 3.72Å; G110-V112 PolarHBondContact O-N 2.96Å; V112-K114 HydrophobicContact CG1-CG 4.3Å; V112-N119 HydrophobicContact CG1-CB 3.79Å
113	I	91.4	Very high	88.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.9	167.7	-53.1	-57.5	0	0	0	108.3	A12 L14 A115 N119 W120 P122 F125 A135	A12-I113 HydrophobicContact CB-CG2 3.94Å; L14-I113 HydrophobicContact CD2-CD1 4.18Å; I113-A115 HydrophobicContact CG2-CB 4.21Å; I113-N119 CarbonylContact O-C 3.56Å; I113-N119 WeakPolarHBondContact O-CA 3.2Å; I113-W120 HydrophobicContact CB-CB 4.19Å; I113-W120 PolarHBondContact N-O 2.82Å; I113-W120 PolarHBondContact O-N 2.91Å; I113-P122 HydrophobicContact CG1-CG 4.44Å; I113-F125 HydrophobicContact CG2-CD1 3.82Å; I113-F125 HydrophobicContact CG2-CE1 4.25Å; I113-F125 HydrophobicContact CG2-CG 4.15Å; I113-A135 HydrophobicContact CD1-CB 4.01Å; I113-A135 HydrophobicContact CG1-CB 4.15Å
114	K	90.9	Very high	88.8	Confident	82 Å²	82	59 Å²	59	36%	0.357	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	103.5	172.8	-63.8	-172.7	-173.6	175.8	0	109.6	E15 V112	E15-K114 IonicContact OE1-NZ 2.61Å; E15-K114 PolarHBondContact OE1-NZ 3.29Å; E15-K114 WeakPolarHBondContact OE2-CE 3.29Å; E15-K114 IonicContact OE2-NZ 3.85Å; E15-K114 PolarHBondContact OE2-NZ 2.93Å; V112-K114 HydrophobicContact CG1-CG 4.3Å
115	A	90	Very high	88.9	Confident	10 Å²	10	56.3 Å²	56.3	8%	0.083	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	154	-178.3	0	0	0	0	0	111	I113 N117 Y118 W120 F125 F139	I113-A115 HydrophobicContact CG2-CB 4.21Å; A115-N117 PolarHBondContact O-N 3.48Å; A115-N117 VanDerWaalsContact O-N 3.12Å; A115-Y118 PolarHBondContact N-O 3.09Å; A115-Y118 VanDerWaalsContact N-O 3.08Å; A115-Y118 CarbonylContact O-C 3.56Å; A115-Y118 PolarHBondContact O-N 2.95Å; A115-W120 PolarHBondContact O-NE1 3.26Å; A115-F125 HydrophobicContact CB-CE1 4.11Å; A115-F125 HydrophobicContact CB-CE2 3.89Å; A115-F125 HydrophobicContact CB-CZ 3.57Å; A115-F139 HydrophobicContact CB-CE1 3.84Å; A115-F139 HydrophobicContact CB-CZ 3.82Å
116	M	88.3	Confident	89.2	Confident	37 Å²	37	58 Å²	58	18%	0.182	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	27.3	174.8	-60.5	-67.2	-73.2	0	0	114.5	Y118 W120 F125 F139 K141 G144 A146	M116-Y118 WeakPolarHBondContact O-CD2 3.31Å; M116-Y118 PolarHBondContact O-N 3.44Å; M116-W120 HydrophobicContact CB-CZ2 4.34Å; M116-F125 HydrophobicContact CG-CE2 4.35Å; M116-F139 HydrophobicContact CG-CE2 4Å; M116-F139 HydrophobicContact CG-CZ 4.43Å; M116-F139 HydrophobicContact SD-CE2 3.81Å; M116-K141 HydrophobicContact CE-CD 4.27Å; M116-K141 HydrophobicContact CE-CG 3.99Å; M116-K141 HydrophobicContact SD-CB 4.1Å; M116-K141 HydrophobicContact SD-CD 3.75Å; M116-K141 HydrophobicContact SD-CG 3.68Å; M116-G144 WeakPolarHBondContact CE-O 3.49Å; M116-A146 HydrophobicContact CG-CB 4.25Å
117	N	87.1	Confident	89.7	Confident	158 Å²	158	54.5 Å²	54.5	85%	0.845	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	19.6	-172.8	-56.5	-18.3	0	0	0	115	A115	A115-N117 PolarHBondContact O-N 3.48Å; A115-N117 VanDerWaalsContact O-N 3.12Å
118	Y	91	Very high	90.2	Very high	144 Å²	144	56.7 Å²	56.7	57%	0.565	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	167.8	175.8	-64.3	-81.1	0	0	0	111.1	A115 M116 W120	A115-Y118 PolarHBondContact N-O 3.09Å; A115-Y118 VanDerWaalsContact N-O 3.08Å; A115-Y118 CarbonylContact O-C 3.56Å; A115-Y118 PolarHBondContact O-N 2.95Å; M116-Y118 WeakPolarHBondContact O-CD2 3.31Å; M116-Y118 PolarHBondContact O-N 3.44Å; Y118-W120 HydrophobicContact CD2-CZ2 4Å; Y118-W120 HydrophobicContact CG-CZ2 4.16Å; Y118-W120 PolarHBondContact O-NE1 3.12Å
119	N	90.8	Very high	90.7	Very high	49 Å²	49	60.1 Å²	60.1	26%	0.262	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	146.5	168.4	-58.2	-65.2	0	0	0	109	P99 C101 G102 I108 V112 I113	P99-N119 HydrophobicContact CB-CB 3.93Å; C101-N119 CarbonylContact C-O 3.52Å; C101-N119 VanDerWaalsContact CA-O 3.31Å; C101-N119 WeakPolarHBondContact CA-O 3.47Å; G102-N119 PolarHBondContact N-O 2.89Å; I108-N119 HydrophobicContact CD1-CB 3.54Å; V112-N119 HydrophobicContact CG1-CB 3.79Å; I113-N119 CarbonylContact O-C 3.56Å; I113-N119 WeakPolarHBondContact O-CA 3.2Å
120	W	94.1	Very high	91.4	Very high	39 Å²	39	57.8 Å²	57.8	15%	0.148	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	145.4	-179.1	-45.4	80.8	0	0	0	111.1	G102 K103 I108 I113 A115 M116 Y118 F125	G102-W120 VanDerWaalsContact C-CZ3 3.48Å; K103-W120 HydrophobicContact CB-CE3 4.02Å; K103-W120 HydrophobicContact CB-CZ3 3.89Å; I108-W120 VanDerWaalsContact CD1-C 3.49Å; I113-W120 HydrophobicContact CB-CB 4.19Å; I113-W120 PolarHBondContact N-O 2.82Å; I113-W120 PolarHBondContact O-N 2.91Å; A115-W120 PolarHBondContact O-NE1 3.26Å; M116-W120 HydrophobicContact CB-CZ2 4.34Å; Y118-W120 HydrophobicContact CD2-CZ2 4Å; Y118-W120 HydrophobicContact CG-CZ2 4.16Å; Y118-W120 PolarHBondContact O-NE1 3.12Å; W120-F125 HydrophobicContact CB-CB 3.84Å; W120-F125 HydrophobicContact CB-CD2 4.34Å; W120-F125 HydrophobicContact CB-CG 4.38Å; W120-F125 AromaticContact CD1-CD2 3.79Å; W120-F125 AromaticContact CD2-CD2 3.73Å; W120-F125 HydrophobicContact CD2-CD2 3.73Å; W120-F125 HydrophobicContact CD2-CE2 4.45Å; W120-F125 AromaticContact CE2-CD2 3.9Å; W120-F125 HydrophobicContact CE3-CD2 4.3Å; W120-F125 HydrophobicContact CG-CB 4.14Å; W120-F125 AromaticContact CG-CD2 3.7Å; W120-F125 HydrophobicContact CG-CD2 3.7Å; W120-F125 HydrophobicContact CG-CG 4.21Å; W120-F125 AromaticContact NE1-CD2 3.92Å
121	H	92.6	Very high	92	Very high	40 Å²	40	60.1 Å²	60.1	19%	0.185	29%	0.294	C	S	.	.			trans	-62	146.5	157.1	-56.7	101.4	0	0	0	109	C101 C104 F107 I108 D123 C124 F125	C101-H121 VanDerWaalsContact CB-CE1 3.42Å; C101-H121 WeakPolarHBondContact CB-CE1 2.95Å; C101-H121 WeakPolarHBondContact CB-ND1 3.43Å; C101-H121 PolarHBondContact SG-ND1 3.35Å; C104-H121 PolarHBondContact SG-CE1 2.79Å; C104-H121 PolarHBondContact SG-ND1 3.27Å; C104-H121 VanDerWaalsContact SG-ND1 3.38Å; F107-H121 PolarHBondContact O-NE2 3.46Å; I108-H121 WeakPolarHBondContact CA-NE2 3.19Å; H121-D123 PolarHBondContact O-N 3.11Å; H121-C124 HydrophobicContact CB-CB 3.87Å; H121-C124 WeakPolarHBondContact O-CA 3.48Å; H121-C124 WeakPolarHBondContact O-CB 3.12Å; H121-C124 PolarHBondContact O-N 3.29Å; H121-F125 PolarHBondContact O-N 2.83Å; H121-F125 VanDerWaalsContact O-N 3.09Å
122	P	93.5	Very high	92.4	Very high	29 Å²	29	60.6 Å²	60.6	19%	0.188	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-49.6	-47.2	173.2	-28.8	36.1	0	0	0	112	R111 I113 C124 F125 C133 A135	R111-P122 HydrophobicContact CB-CG 4.09Å; R111-P122 HydrophobicContact CG-CG 3.96Å; R111-P122 WeakPolarHBondContact O-CD 3.45Å; I113-P122 HydrophobicContact CG1-CG 4.44Å; P122-C124 VanDerWaalsContact C-N 3.26Å; P122-C124 PolarHBondContact O-N 3.44Å; P122-F125 PolarHBondContact O-N 3Å; P122-C133 PolarHBondContact O-SG 2.97Å; P122-A135 HydrophobicContact CB-CB 3.83Å
123	D	94	Very high	92.6	Very high	112 Å²	112	61.6 Å²	61.6	60%	0.599	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-72.3	-15.2	178.9	-63.3	-40.3	0	0	0	114.4	H121 R126	H121-D123 PolarHBondContact O-N 3.11Å; D123-R126 PolarHBondContact O-NE 2.98Å; D123-R126 PolarHBondContact O-NH2 3.22Å
124	C	95.3	Very high	92.8	Very high	21 Å²	21	61.6 Å²	61.6	14%	0.142	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-89.9	-24.2	177.6	-78.7	0	0	0	0	112.5	C101 K103 H121 P122 R126	C101-C124 WeakPolarHBondContact SG-CB 3.38Å; C101-C124 VanDerWaalsContact SG-SG 3.67Å; K103-C124 HydrophobicContact CB-CB 3.84Å; K103-C124 HydrophobicContact CD-CB 4.1Å; K103-C124 WeakPolarHBondContact CD-O 3.29Å; H121-C124 HydrophobicContact CB-CB 3.87Å; H121-C124 WeakPolarHBondContact O-CA 3.48Å; H121-C124 WeakPolarHBondContact O-CB 3.12Å; H121-C124 PolarHBondContact O-N 3.29Å; P122-C124 VanDerWaalsContact C-N 3.26Å; P122-C124 PolarHBondContact O-N 3.44Å; C124-R126 PolarHBondContact O-N 2.85Å; C124-R126 VanDerWaalsContact O-N 3.11Å
125	F	95.4	Very high	92.7	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.018	29%	0.293	C	S	.	.			trans	-81.8	92.5	-179.7	-165.6	-124.9	0	0	0	110.3	I113 A115 M116 W120 H121 P122 L134 F139 A146	I113-F125 HydrophobicContact CG2-CD1 3.82Å; I113-F125 HydrophobicContact CG2-CE1 4.25Å; I113-F125 HydrophobicContact CG2-CG 4.15Å; A115-F125 HydrophobicContact CB-CE1 4.11Å; A115-F125 HydrophobicContact CB-CE2 3.89Å; A115-F125 HydrophobicContact CB-CZ 3.57Å; M116-F125 HydrophobicContact CG-CE2 4.35Å; W120-F125 HydrophobicContact CB-CB 3.84Å; W120-F125 HydrophobicContact CB-CD2 4.34Å; W120-F125 HydrophobicContact CB-CG 4.38Å; W120-F125 AromaticContact CD1-CD2 3.79Å; W120-F125 AromaticContact CD2-CD2 3.73Å; W120-F125 HydrophobicContact CD2-CD2 3.73Å; W120-F125 HydrophobicContact CD2-CE2 4.45Å; W120-F125 AromaticContact CE2-CD2 3.9Å; W120-F125 HydrophobicContact CE3-CD2 4.3Å; W120-F125 HydrophobicContact CG-CB 4.14Å; W120-F125 AromaticContact CG-CD2 3.7Å; W120-F125 HydrophobicContact CG-CD2 3.7Å; W120-F125 HydrophobicContact CG-CG 4.21Å; W120-F125 AromaticContact NE1-CD2 3.92Å; H121-F125 PolarHBondContact O-N 2.83Å; H121-F125 VanDerWaalsContact O-N 3.09Å; P122-F125 PolarHBondContact O-N 3Å; F125-L134 HydrophobicContact CD1-CB 3.51Å; F125-L134 HydrophobicContact CD1-CD1 4.37Å; F125-L134 HydrophobicContact CE1-CB 3.68Å; F125-L134 HydrophobicContact CE1-CD1 4.1Å; F125-L134 HydrophobicContact CG-CB 4.3Å; F125-L134 HydrophobicContact CZ-CD1 4.24Å; F125-L134 WeakPolarHBondContact O-CB 3.45Å; F125-L134 PolarHBondContact O-N 3.24Å; F125-F139 HydrophobicContact CE1-CB 4.29Å; F125-F139 AromaticContact CE1-CD1 3.55Å; F125-F139 HydrophobicContact CE1-CD1 3.55Å; F125-F139 AromaticContact CE1-CE1 4Å; F125-F139 HydrophobicContact CE1-CE1 4Å; F125-F139 AromaticContact CE1-CG 3.9Å; F125-F139 HydrophobicContact CE1-CG 3.9Å; F125-F139 HydrophobicContact CZ-CB 4.39Å; F125-F139 AromaticContact CZ-CD1 3.65Å; F125-F139 HydrophobicContact CZ-CD1 3.65Å; F125-F139 AromaticContact CZ-CD2 4Å; F125-F139 HydrophobicContact CZ-CD2 4Å; F125-F139 AromaticContact CZ-CE1 3.84Å; F125-F139 HydrophobicContact CZ-CE1 3.84Å; F125-F139 HydrophobicContact CZ-CE2 4.18Å; F125-F139 AromaticContact CZ-CG 3.74Å; F125-F139 HydrophobicContact CZ-CG 3.74Å; F125-F139 HydrophobicContact CZ-CZ 4.1Å; F125-A146 HydrophobicContact CE2-CB 3.75Å; F125-A146 HydrophobicContact CZ-CB 3.75Å
126	R	94.8	Very high	92.5	Very high	85 Å²	85	63.3 Å²	63.3	32%	0.321	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-123	151	-171.7	-63.5	-174.9	179.7	-101.9	-8.3	112.8	D123 C124 H128 D131 K132 L134	D123-R126 PolarHBondContact O-NE 2.98Å; D123-R126 PolarHBondContact O-NH2 3.22Å; C124-R126 PolarHBondContact O-N 2.85Å; C124-R126 VanDerWaalsContact O-N 3.11Å; R126-H128 PolarHBondContact O-N 3.32Å; R126-D131 WeakPolarHBondContact CB-OD1 3.21Å; R126-D131 VanDerWaalsContact CD-CG 3.47Å; R126-D131 WeakPolarHBondContact CD-O 3.19Å; R126-D131 WeakPolarHBondContact CD-OD1 3.38Å; R126-D131 PolarHBondContact NH1-O 3.04Å; R126-D131 VanDerWaalsContact NH1-O 3.15Å; R126-D131 IonicContact NH1-OD2 3.69Å; R126-K132 CarbonylContact C-O 3.18Å; R126-K132 VanDerWaalsContact CA-O 3.29Å; R126-K132 WeakPolarHBondContact CA-O 3.4Å; R126-L134 VanDerWaalsContact C-CD1 3.44Å
127	C	95	Very high	92.3	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.014	33%	0.332	C	S	.	.			trans	-57.9	124.9	173.8	-179.9	0	0	0	0	109.2	I129 C130 D131 K132 L134 C148	C127-I129 PolarHBondContact O-N 3.24Å; C127-I129 VanDerWaalsContact O-N 3.13Å; C127-I129 PolarHBondContact SG-N 2.94Å; C127-C130 VanDerWaalsContact CB-SG 3.59Å; C127-C130 PolarHBondContact SG-SG 3.48Å; C127-D131 WeakPolarHBondContact O-CA 3.48Å; C127-D131 PolarHBondContact O-N 3.47Å; C127-K132 HydrophobicContact CB-CB 4.3Å; C127-K132 PolarHBondContact N-O 3.33Å; C127-L134 HydrophobicContact CB-CD1 4.49Å; C127-L134 HydrophobicContact CB-CD2 4.02Å; C127-L134 HydrophobicContact CB-CG 4.34Å; C127-C148 HydrophobicContact CB-CB 4.23Å; C127-C148 PolarHBondContact SG-N 3.04Å
128	H	92.8	Very high	92.2	Very high	117 Å²	117	59.7 Å²	59.7	54%	0.542	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.7	-179.9	-175.4	87.4	0	0	0	113.5	R126 R145 A146 V147	R126-H128 PolarHBondContact O-N 3.32Å; H128-R145 HydrophobicContact CB-CB 4.15Å; H128-R145 VanDerWaalsContact CD2-CD 3.44Å; H128-R145 WeakPolarHBondContact CD2-CD 3.4Å; H128-R145 PolarHBondContact CD2-NH1 3.48Å; H128-R145 WeakPolarHBondContact NE2-CD 3.18Å; H128-R145 PolarHBondContact NE2-NH1 3.48Å; H128-A146 PolarHBondContact N-O 3.31Å; H128-V147 HydrophobicContact CB-CG1 4.39Å
129	I	92.1	Very high	92.3	Very high	75 Å²	75	53.2 Å²	53.2	39%	0.385	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-46.2	-176	-65.1	168.8	0	0	0	111.7	C127 V147 C151 E155	C127-I129 PolarHBondContact O-N 3.24Å; C127-I129 VanDerWaalsContact O-N 3.13Å; C127-I129 PolarHBondContact SG-N 2.94Å; I129-V147 HydrophobicContact CD1-CB 4.41Å; I129-V147 HydrophobicContact CD1-CG1 3.73Å; I129-V147 HydrophobicContact CG1-CG1 4.05Å; I129-C151 HydrophobicContact CB-CB 3.94Å; I129-C151 HydrophobicContact CD1-CB 3.74Å; I129-C151 HydrophobicContact CG1-CB 4.39Å; I129-C151 HydrophobicContact CG2-CB 4.13Å; I129-E155 HydrophobicContact CD1-CG 3.74Å
130	C	94.5	Very high	92.3	Very high	67 Å²	67	51.7 Å²	51.7	45%	0.453	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	3.3	-173.8	68.3	0	0	0	0	114.8	C127 K132 C151	C127-C130 VanDerWaalsContact CB-SG 3.59Å; C127-C130 PolarHBondContact SG-SG 3.48Å; C130-K132 PolarHBondContact O-N 3.45Å; C130-K132 VanDerWaalsContact SG-CB 3.55Å; C130-C151 VanDerWaalsContact SG-SG 3.66Å
131	D	94.6	Very high	92.2	Very high	86 Å²	86	55.6 Å²	55.6	46%	0.46	29%	0.287	S	S	.	.			trans	57.1	14.3	-178.6	-156.8	50.4	0	0	0	115.6	K103 R126 C127	K103-D131 IonicContact NZ-OD1 3.91Å; R126-D131 WeakPolarHBondContact CB-OD1 3.21Å; R126-D131 VanDerWaalsContact CD-CG 3.47Å; R126-D131 WeakPolarHBondContact CD-O 3.19Å; R126-D131 WeakPolarHBondContact CD-OD1 3.38Å; R126-D131 PolarHBondContact NH1-O 3.04Å; R126-D131 VanDerWaalsContact NH1-O 3.15Å; R126-D131 IonicContact NH1-OD2 3.69Å; C127-D131 WeakPolarHBondContact O-CA 3.48Å; C127-D131 PolarHBondContact O-N 3.47Å
132	K	93.6	Very high	91.8	Very high	98 Å²	98	54.6 Å²	54.6	43%	0.426	28%	0.283	S	S	.	.			trans	-63.1	136.7	173	-166.9	179.1	-167.6	-163	0	110.8	R126 C127 C130 L134 E137	R126-K132 CarbonylContact C-O 3.18Å; R126-K132 VanDerWaalsContact CA-O 3.29Å; R126-K132 WeakPolarHBondContact CA-O 3.4Å; C127-K132 HydrophobicContact CB-CB 4.3Å; C127-K132 PolarHBondContact N-O 3.33Å; C130-K132 PolarHBondContact O-N 3.45Å; C130-K132 VanDerWaalsContact SG-CB 3.55Å; K132-L134 PolarHBondContact O-N 3.39Å; K132-E137 WeakPolarHBondContact CD-OE2 3.19Å; K132-E137 WeakPolarHBondContact CE-OE1 3.39Å; K132-E137 WeakPolarHBondContact CE-OE2 3.33Å; K132-E137 IonicContact NZ-OE1 2.84Å; K132-E137 PolarHBondContact NZ-OE1 3.01Å; K132-E137 IonicContact NZ-OE2 3.69Å; K132-E137 PolarHBondContact NZ-OE2 3.22Å
133	C	93.5	Very high	91.2	Very high	38 Å²	38	54.9 Å²	54.9	26%	0.257	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-60.5	131.3	174.3	-172.1	0	0	0	0	110.8	P122	P122-C133 PolarHBondContact O-SG 2.97Å
134	L	94.8	Very high	90.7	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.274	C	S	.	.			trans	-105.8	-5.5	-176.5	-63.1	175.7	0	0	0	113.2	F125 R126 C127 K132 D136 G138 F139 A146 C148	F125-L134 HydrophobicContact CD1-CB 3.51Å; F125-L134 HydrophobicContact CD1-CD1 4.37Å; F125-L134 HydrophobicContact CE1-CB 3.68Å; F125-L134 HydrophobicContact CE1-CD1 4.1Å; F125-L134 HydrophobicContact CG-CB 4.3Å; F125-L134 HydrophobicContact CZ-CD1 4.24Å; F125-L134 WeakPolarHBondContact O-CB 3.45Å; F125-L134 PolarHBondContact O-N 3.24Å; R126-L134 VanDerWaalsContact C-CD1 3.44Å; C127-L134 HydrophobicContact CB-CD1 4.49Å; C127-L134 HydrophobicContact CB-CD2 4.02Å; C127-L134 HydrophobicContact CB-CG 4.34Å; K132-L134 PolarHBondContact O-N 3.39Å; L134-D136 PolarHBondContact O-N 2.98Å; L134-G138 PolarHBondContact O-N 2.89Å; L134-F139 HydrophobicContact CB-CB 4.35Å; L134-F139 HydrophobicContact CD1-CB 3.82Å; L134-F139 HydrophobicContact CD2-CB 4.22Å; L134-F139 HydrophobicContact CG-CB 4.36Å; L134-A146 HydrophobicContact CD1-CB 3.74Å; L134-C148 HydrophobicContact CD2-CB 3.77Å
135	A	89.5	Confident	90.5	Very high	8 Å²	8	54 Å²	54	7%	0.066	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.4	-170.5	0	0	0	0	0	113.8	R111 I113 P122	R111-A135 PolarHBondContact NH2-O 2.97Å; I113-A135 HydrophobicContact CD1-CB 4.01Å; I113-A135 HydrophobicContact CG1-CB 4.15Å; P122-A135 HydrophobicContact CB-CB 3.83Å
136	D	86.4	Confident	90.3	Very high	119 Å²	119	54.5 Å²	54.5	64%	0.636	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-21.9	-176.2	-58.7	-52.1	0	0	0	113.6	R111 L134	R111-D136 IonicContact CZ-OD1 2.89Å; R111-D136 IonicContact NH1-OD1 3.64Å; R111-D136 PolarHBondContact NH1-OD1 3.36Å; R111-D136 IonicContact NH1-OD2 2.66Å; R111-D136 IonicContact NH2-OD1 3.21Å; R111-D136 PolarHBondContact NH2-OD1 2.84Å; L134-D136 PolarHBondContact O-N 2.98Å
137	E	83.5	Confident	90.2	Very high	99 Å²	99	50.4 Å²	50.4	46%	0.463	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-8.6	-174.3	-61.5	-165.1	168.7	0	0	114.2	K132	K132-E137 WeakPolarHBondContact CD-OE2 3.19Å; K132-E137 WeakPolarHBondContact CE-OE1 3.39Å; K132-E137 WeakPolarHBondContact CE-OE2 3.33Å; K132-E137 IonicContact NZ-OE1 2.84Å; K132-E137 PolarHBondContact NZ-OE1 3.01Å; K132-E137 IonicContact NZ-OE2 3.69Å; K132-E137 PolarHBondContact NZ-OE2 3.22Å
138	G	85.4	Confident	90.2	Very high	20 Å²	20	50.7 Å²	50.7	21%	0.206	27%	0.271	C	S	.	.			trans	76.9	171.5	-169.6	0	0	0	0	0	112.6	L134	L134-G138 PolarHBondContact O-N 2.89Å
139	F	93.3	Very high	90.1	Very high	8 Å²	8	48.9 Å²	48.9	4%	0.035	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-149.3	159.7	-178.2	75.3	-77.8	0	0	0	111.5	A12 A115 M116 F125 L134 K141 A146 V147	A12-F139 HydrophobicContact CB-CE1 4.32Å; A115-F139 HydrophobicContact CB-CE1 3.84Å; A115-F139 HydrophobicContact CB-CZ 3.82Å; M116-F139 HydrophobicContact CG-CE2 4Å; M116-F139 HydrophobicContact CG-CZ 4.43Å; M116-F139 HydrophobicContact SD-CE2 3.81Å; F125-F139 HydrophobicContact CE1-CB 4.29Å; F125-F139 AromaticContact CE1-CD1 3.55Å; F125-F139 HydrophobicContact CE1-CD1 3.55Å; F125-F139 AromaticContact CE1-CE1 4Å; F125-F139 HydrophobicContact CE1-CE1 4Å; F125-F139 AromaticContact CE1-CG 3.9Å; F125-F139 HydrophobicContact CE1-CG 3.9Å; F125-F139 HydrophobicContact CZ-CB 4.39Å; F125-F139 AromaticContact CZ-CD1 3.65Å; F125-F139 HydrophobicContact CZ-CD1 3.65Å; F125-F139 AromaticContact CZ-CD2 4Å; F125-F139 HydrophobicContact CZ-CD2 4Å; F125-F139 AromaticContact CZ-CE1 3.84Å; F125-F139 HydrophobicContact CZ-CE1 3.84Å; F125-F139 HydrophobicContact CZ-CE2 4.18Å; F125-F139 AromaticContact CZ-CG 3.74Å; F125-F139 HydrophobicContact CZ-CG 3.74Å; F125-F139 HydrophobicContact CZ-CZ 4.1Å; L134-F139 HydrophobicContact CB-CB 4.35Å; L134-F139 HydrophobicContact CD1-CB 3.82Å; L134-F139 HydrophobicContact CD2-CB 4.22Å; L134-F139 HydrophobicContact CG-CB 4.36Å; F139-K141 HydrophobicContact CE2-CB 4.42Å; F139-A146 HydrophobicContact CB-CB 4.48Å; F139-A146 HydrophobicContact CD2-CB 3.71Å; F139-A146 HydrophobicContact CE2-CB 4.32Å; F139-A146 HydrophobicContact CG-CB 4.3Å; F139-V147 WeakPolarHBondContact CA-O 3.5Å
140	V	90.8	Very high	90.1	Very high	18 Å²	18	47.7 Å²	47.7	11%	0.109	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.1	168.8	-176.2	0	0	0	0	108.5	L142 V147 H149 N152	V140-L142 PolarHBondContact O-N 2.69Å; V140-V147 HydrophobicContact CB-CG2 4.17Å; V140-V147 PolarHBondContact N-O 3.04Å; V140-V147 WeakPolarHBondContact O-CG2 3.28Å; V140-V147 PolarHBondContact O-N 3.32Å; V140-H149 WeakPolarHBondContact CG2-ND1 3.35Å; V140-N152 HydrophobicContact CB-CB 4.14Å; V140-N152 HydrophobicContact CG1-CB 4.37Å; V140-N152 HydrophobicContact CG2-CB 4.18Å
141	K	90.1	Very high	90	Very high	120 Å²	120	45 Å²	45	52%	0.522	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	103.5	169.6	-176.7	174.8	-175.9	-179.6	0	109.4	M116 F139 R145	M116-K141 HydrophobicContact CE-CD 4.27Å; M116-K141 HydrophobicContact CE-CG 3.99Å; M116-K141 HydrophobicContact SD-CB 4.1Å; M116-K141 HydrophobicContact SD-CD 3.75Å; M116-K141 HydrophobicContact SD-CG 3.68Å; F139-K141 HydrophobicContact CE2-CB 4.42Å; K141-R145 CarbonylContact C-O 3.57Å; K141-R145 WeakPolarHBondContact CA-O 3.24Å
142	L	85.3	Confident	89.7	Confident	19 Å²	19	41.5 Å²	41.5	10%	0.099	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	109.4	178	-172.7	66.5	0	0	0	109.8	V140 G144 R145 V147 E155	V140-L142 PolarHBondContact O-N 2.69Å; L142-G144 VanDerWaalsContact C-N 3.3Å; L142-G144 PolarHBondContact O-N 3.31Å; L142-R145 PolarHBondContact N-O 3.19Å; L142-R145 WeakPolarHBondContact O-CB 3.42Å; L142-R145 PolarHBondContact O-N 3.48Å; L142-V147 HydrophobicContact CB-CG1 4.46Å; L142-V147 HydrophobicContact CB-CG2 3.66Å; L142-V147 HydrophobicContact CD2-CG2 4.16Å; L142-E155 HydrophobicContact CD2-CB 3.71Å; L142-E155 HydrophobicContact CD2-CG 3.74Å
143	H	80.8	Confident	89.4	Confident	35 Å²	35	43.2 Å²	43.2	16%	0.162	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	43	-179.5	-47.7	-44.5	0	0	0	115.1	R145 Y162 V171	H143-R145 VanDerWaalsContact C-N 3.29Å; H143-R145 PolarHBondContact O-N 3.14Å; H143-Y162 AromaticContact CD2-CE1 3.95Å; H143-Y162 AromaticContact CD2-CZ 3.99Å; H143-Y162 AromaticContact CE1-CE1 3.39Å; H143-Y162 WeakPolarHBondContact CE1-CE1 3.38Å; H143-Y162 AromaticContact CE1-CE2 3.21Å; H143-Y162 WeakPolarHBondContact CE1-CE2 3.26Å; H143-Y162 AromaticContact CE1-CZ 2.86Å; H143-Y162 PolarHBondContact CE1-OH 3.48Å; H143-Y162 AromaticContact CG-CD2 4Å; H143-Y162 AromaticContact CG-CE2 3.78Å; H143-Y162 AromaticContact ND1-CD2 3.87Å; H143-Y162 AromaticContact ND1-CE2 3.19Å; H143-Y162 WeakPolarHBondContact ND1-CE2 3.15Å; H143-Y162 AromaticContact ND1-CZ 3.41Å; H143-Y162 AromaticContact NE2-CD1 3.71Å; H143-Y162 AromaticContact NE2-CE1 3.19Å; H143-Y162 WeakPolarHBondContact NE2-CE1 3.26Å; H143-Y162 AromaticContact NE2-CE2 3.7Å; H143-Y162 AromaticContact NE2-CZ 3.23Å; H143-V171 HydrophobicContact CB-CG2 3.38Å
144	G	84.1	Confident	89.1	Confident	42 Å²	42	48 Å²	48	43%	0.433	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	8	-178.9	0	0	0	0	0	114.3	M116 L142	M116-G144 WeakPolarHBondContact CE-O 3.49Å; L142-G144 VanDerWaalsContact C-N 3.3Å; L142-G144 PolarHBondContact O-N 3.31Å
145	R	89.3	Confident	88.6	Confident	74 Å²	74	51.3 Å²	51.3	28%	0.279	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	145	176.1	-55.2	-177.9	-72.9	168.8	-2.2	110.3	H128 K141 L142 H143	H128-R145 HydrophobicContact CB-CB 4.15Å; H128-R145 VanDerWaalsContact CD2-CD 3.44Å; H128-R145 WeakPolarHBondContact CD2-CD 3.4Å; H128-R145 PolarHBondContact CD2-NH1 3.48Å; H128-R145 WeakPolarHBondContact NE2-CD 3.18Å; H128-R145 PolarHBondContact NE2-NH1 3.48Å; K141-R145 CarbonylContact C-O 3.57Å; K141-R145 WeakPolarHBondContact CA-O 3.24Å; L142-R145 PolarHBondContact N-O 3.19Å; L142-R145 WeakPolarHBondContact O-CB 3.42Å; L142-R145 PolarHBondContact O-N 3.48Å; H143-R145 VanDerWaalsContact C-N 3.29Å; H143-R145 PolarHBondContact O-N 3.14Å
146	A	92.2	Very high	88	Confident	13 Å²	13	57 Å²	57	11%	0.107	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	120.8	171	0	0	0	0	0	108.9	M116 F125 H128 L134 F139	M116-A146 HydrophobicContact CG-CB 4.25Å; F125-A146 HydrophobicContact CE2-CB 3.75Å; F125-A146 HydrophobicContact CZ-CB 3.75Å; H128-A146 PolarHBondContact N-O 3.31Å; L134-A146 HydrophobicContact CD1-CB 3.74Å; F139-A146 HydrophobicContact CB-CB 4.48Å; F139-A146 HydrophobicContact CD2-CB 3.71Å; F139-A146 HydrophobicContact CE2-CB 4.32Å; F139-A146 HydrophobicContact CG-CB 4.3Å
147	V	93.7	Very high	87.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.6	178.7	-61.9	0	0	0	0	110	H128 I129 F139 V140 L142 C151 N152	H128-V147 HydrophobicContact CB-CG1 4.39Å; I129-V147 HydrophobicContact CD1-CB 4.41Å; I129-V147 HydrophobicContact CD1-CG1 3.73Å; I129-V147 HydrophobicContact CG1-CG1 4.05Å; F139-V147 WeakPolarHBondContact CA-O 3.5Å; V140-V147 HydrophobicContact CB-CG2 4.17Å; V140-V147 PolarHBondContact N-O 3.04Å; V140-V147 WeakPolarHBondContact O-CG2 3.28Å; V140-V147 PolarHBondContact O-N 3.32Å; L142-V147 HydrophobicContact CB-CG1 4.46Å; L142-V147 HydrophobicContact CB-CG2 3.66Å; L142-V147 HydrophobicContact CD2-CG2 4.16Å; V147-C151 HydrophobicContact CB-CB 4.35Å; V147-N152 HydrophobicContact CG2-CB 3.91Å
148	C	94.6	Very high	87.1	Confident	8 Å²	8	53.4 Å²	53.4	5%	0.054	29%	0.294	C	S	.	.			trans	-70.8	161.7	171.6	72.5	0	0	0	0	110.3	C127 L134 A150 C151 N152	C127-C148 HydrophobicContact CB-CB 4.23Å; C127-C148 PolarHBondContact SG-N 3.04Å; L134-C148 HydrophobicContact CD2-CB 3.77Å; C148-A150 VanDerWaalsContact C-N 3.32Å; C148-A150 PolarHBondContact O-N 3.4Å; C148-C151 PolarHBondContact O-N 2.89Å; C148-C151 PolarHBondContact SG-N 3.07Å; C148-C151 PolarHBondContact SG-SG 3.04Å; C148-N152 PolarHBondContact O-N 3.08Å
149	H	91	Very high	86.2	Confident	79 Å²	79	55.7 Å²	55.7	37%	0.366	32%	0.318	S	S	.	.	H	α-helix	trans	-56.8	-42.9	-178.6	-67.5	-74.1	0	0	0	112.9	V140 C151 N152 E153	V140-H149 WeakPolarHBondContact CG2-ND1 3.35Å; H149-C151 PolarHBondContact O-N 3.27Å; H149-N152 WeakPolarHBondContact O-CB 3.43Å; H149-N152 PolarHBondContact O-N 3.43Å; H149-E153 WeakPolarHBondContact O-CG 3.03Å; H149-E153 PolarHBondContact O-N 2.98Å
150	A	91.4	Very high	84.9	Confident	50 Å²	50	61.4 Å²	61.4	41%	0.413	35%	0.348	S	S	.	.	H	α-helix	trans	-60.5	-45.8	177.8	0	0	0	0	0	112.4	C148 N152 E153 H154	C148-A150 VanDerWaalsContact C-N 3.32Å; C148-A150 PolarHBondContact O-N 3.4Å; A150-N152 VanDerWaalsContact C-N 3.34Å; A150-N152 PolarHBondContact O-N 3.3Å; A150-E153 PolarHBondContact O-N 2.93Å; A150-H154 PolarHBondContact O-CD2 3.18Å; A150-H154 PolarHBondContact O-N 3.17Å
151	C	91.8	Very high	83.8	Confident	11 Å²	11	66.2 Å²	66.2	7%	0.074	38%	0.383	C	S	.	.	H	α-helix	trans	-66.8	-35.1	178.2	-69.5	0	0	0	0	112.6	I129 C130 V147 C148 H149 E153 H154 E155	I129-C151 HydrophobicContact CB-CB 3.94Å; I129-C151 HydrophobicContact CD1-CB 3.74Å; I129-C151 HydrophobicContact CG1-CB 4.39Å; I129-C151 HydrophobicContact CG2-CB 4.13Å; C130-C151 VanDerWaalsContact SG-SG 3.66Å; V147-C151 HydrophobicContact CB-CB 4.35Å; C148-C151 PolarHBondContact O-N 2.89Å; C148-C151 PolarHBondContact SG-N 3.07Å; C148-C151 PolarHBondContact SG-SG 3.04Å; H149-C151 PolarHBondContact O-N 3.27Å; C151-E153 VanDerWaalsContact C-N 3.33Å; C151-H154 PolarHBondContact O-N 3.39Å; C151-E155 WeakPolarHBondContact O-CB 3.38Å; C151-E155 WeakPolarHBondContact O-CG 3.17Å; C151-E155 PolarHBondContact O-N 3.38Å
152	N	89	Confident	83	Confident	12 Å²	12	65.7 Å²	65.7	6%	0.064	38%	0.378	C	S	.	.	H	α-helix	trans	-62.9	-38.7	172.9	176.5	62.6	0	0	0	112.3	V140 V147 C148 H149 A150 K156	V140-N152 HydrophobicContact CB-CB 4.14Å; V140-N152 HydrophobicContact CG1-CB 4.37Å; V140-N152 HydrophobicContact CG2-CB 4.18Å; V147-N152 HydrophobicContact CG2-CB 3.91Å; C148-N152 PolarHBondContact O-N 3.08Å; H149-N152 WeakPolarHBondContact O-CB 3.43Å; H149-N152 PolarHBondContact O-N 3.43Å; A150-N152 VanDerWaalsContact C-N 3.34Å; A150-N152 PolarHBondContact O-N 3.3Å; N152-K156 WeakPolarHBondContact O-CG 3.38Å; N152-K156 PolarHBondContact O-N 3.5Å
153	E	86.7	Confident	82.9	Confident	133 Å²	133	67.9 Å²	67.9	62%	0.621	39%	0.389	S	S	*	.	H	α-helix	trans	-66.6	-43.5	175.2	-71.1	177.3	174.6	0	0	112	H149 A150 C151 E155 K156 A157	H149-E153 WeakPolarHBondContact O-CG 3.03Å; H149-E153 PolarHBondContact O-N 2.98Å; A150-E153 PolarHBondContact O-N 2.93Å; C151-E153 VanDerWaalsContact C-N 3.33Å; E153-E155 PolarHBondContact O-N 3.15Å; E153-K156 PolarHBondContact O-N 3.3Å; E153-A157 PolarHBondContact O-N 2.89Å
154	H	87.4	Confident	83.1	Confident	139 Å²	139	69.1 Å²	69.1	64%	0.644	40%	0.4	S	S	*	.	H	α-helix	trans	-60.3	-43.9	175.2	-70.2	-57.6	0	0	0	112.4	A150 C151 A157 S158	A150-H154 PolarHBondContact O-CD2 3.18Å; A150-H154 PolarHBondContact O-N 3.17Å; C151-H154 PolarHBondContact O-N 3.39Å; H154-A157 PolarHBondContact O-N 3.47Å; H154-S158 PolarHBondContact O-N 3.16Å
155	E	83.6	Confident	83.4	Confident	71 Å²	71	67.1 Å²	67.1	33%	0.332	38%	0.379	S	S	.	.	H	α-helix	trans	-61.9	-45.9	175.9	-78	-75.8	151.1	0	0	111.6	I129 L142 C151 E153 A157 S158	I129-E155 HydrophobicContact CD1-CG 3.74Å; L142-E155 HydrophobicContact CD2-CB 3.71Å; L142-E155 HydrophobicContact CD2-CG 3.74Å; C151-E155 WeakPolarHBondContact O-CB 3.38Å; C151-E155 WeakPolarHBondContact O-CG 3.17Å; C151-E155 PolarHBondContact O-N 3.38Å; E153-E155 PolarHBondContact O-N 3.15Å; E155-A157 VanDerWaalsContact C-N 3.28Å; E155-A157 PolarHBondContact O-N 2.7Å; E155-S158 WeakPolarHBondContact O-CB 3.44Å; E155-S158 PolarHBondContact O-N 2.85Å; E155-S158 VanDerWaalsContact O-N 3.14Å; E155-S158 PolarHBondContact O-OG 3.13Å
156	K	77.9	Confident	83.4	Confident	126 Å²	126	68.5 Å²	68.5	55%	0.548	39%	0.388	S	S	.	.	H	α-helix	trans	-59.4	-36.6	176.5	-76.7	178.2	179.4	-174.9	0	112.9	N152 E153 S158	N152-K156 WeakPolarHBondContact O-CG 3.38Å; N152-K156 PolarHBondContact O-N 3.5Å; E153-K156 PolarHBondContact O-N 3.3Å; K156-S158 VanDerWaalsContact C-N 3.33Å
157	A	78.1	Confident	83.3	Confident	89 Å²	89	73.8 Å²	73.8	74%	0.736	41%	0.409	S	S	*	.	H	α-helix	trans	-73.3	-25	179.1	0	0	0	0	0	113.4	E153 H154 E155 G159	E153-A157 PolarHBondContact O-N 2.89Å; H154-A157 PolarHBondContact O-N 3.47Å; E155-A157 VanDerWaalsContact C-N 3.28Å; E155-A157 PolarHBondContact O-N 2.7Å; A157-G159 VanDerWaalsContact C-N 3.32Å; A157-G159 PolarHBondContact O-N 3.48Å
158	S	72.1	Confident	83.1	Confident	54 Å²	54	76.4 Å²	76.4	38%	0.378	43%	0.427	S	S	.	.	H	α-helix	trans	-72.9	-20	-173.8	76	0	0	0	0	114.4	H154 E155 K156 L160	H154-S158 PolarHBondContact O-N 3.16Å; E155-S158 WeakPolarHBondContact O-CB 3.44Å; E155-S158 PolarHBondContact O-N 2.85Å; E155-S158 VanDerWaalsContact O-N 3.14Å; E155-S158 PolarHBondContact O-OG 3.13Å; K156-S158 VanDerWaalsContact C-N 3.33Å; S158-L160 VanDerWaalsContact CB-CD1 3.48Å; S158-L160 PolarHBondContact O-N 3.47Å; S158-L160 VanDerWaalsContact O-N 3.14Å; S158-L160 VanDerWaalsContact OG-CD1 3.24Å; S158-L160 WeakPolarHBondContact OG-CD1 3.47Å
159	G	66.7	Low	82.6	Confident	68 Å²	68	85.7 Å²	85.7	70%	0.701	46%	0.461	S	S	*	.			trans	65.3	11.3	178.5	0	0	0	0	0	115.1	A157 S161	A157-G159 VanDerWaalsContact C-N 3.32Å; A157-G159 PolarHBondContact O-N 3.48Å; G159-S161 PolarHBondContact O-N 3.16Å
160	L	66.4	Low	82.2	Confident	128 Å²	128	83 Å²	83	67%	0.67	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-66.8	122.4	178.4	-84.2	98	0	0	0	111	S158	S158-L160 VanDerWaalsContact CB-CD1 3.48Å; S158-L160 PolarHBondContact O-N 3.47Å; S158-L160 VanDerWaalsContact O-N 3.14Å; S158-L160 VanDerWaalsContact OG-CD1 3.24Å; S158-L160 WeakPolarHBondContact OG-CD1 3.47Å
161	S	67.9	Low	81.8	Confident	119 Å²	119	82.9 Å²	82.9	83%	0.832	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-83.8	117.8	169.3	83.7	0	0	0	0	109.5	G159	G159-S161 PolarHBondContact O-N 3.16Å
162	Y	74.1	Confident	81.6	Confident	110 Å²	110	82.5 Å²	82.5	43%	0.431	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-96.7	141.8	175.3	50.2	-83.4	0	0	0	109.8	H143 T164 V171	H143-Y162 AromaticContact CD2-CE1 3.95Å; H143-Y162 AromaticContact CD2-CZ 3.99Å; H143-Y162 AromaticContact CE1-CE1 3.39Å; H143-Y162 WeakPolarHBondContact CE1-CE1 3.38Å; H143-Y162 AromaticContact CE1-CE2 3.21Å; H143-Y162 WeakPolarHBondContact CE1-CE2 3.26Å; H143-Y162 AromaticContact CE1-CZ 2.86Å; H143-Y162 PolarHBondContact CE1-OH 3.48Å; H143-Y162 AromaticContact CG-CD2 4Å; H143-Y162 AromaticContact CG-CE2 3.78Å; H143-Y162 AromaticContact ND1-CD2 3.87Å; H143-Y162 AromaticContact ND1-CE2 3.19Å; H143-Y162 WeakPolarHBondContact ND1-CE2 3.15Å; H143-Y162 AromaticContact ND1-CZ 3.41Å; H143-Y162 AromaticContact NE2-CD1 3.71Å; H143-Y162 AromaticContact NE2-CE1 3.19Å; H143-Y162 WeakPolarHBondContact NE2-CE1 3.26Å; H143-Y162 AromaticContact NE2-CE2 3.7Å; H143-Y162 AromaticContact NE2-CZ 3.23Å; Y162-T164 HydrophobicContact CD2-CG2 3.32Å; Y162-T164 HydrophobicContact CE2-CG2 3.18Å; Y162-V171 HydrophobicContact CD2-CG2 3.86Å; Y162-V171 HydrophobicContact CG-CG2 4.01Å
163	I	82.1	Confident	81.5	Confident	65 Å²	65	87.9 Å²	87.9	33%	0.333	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-75.8	128.7	171.3	-56.3	177.8	0	0	0	107.2	V171 V172 Q177 V184	I163-V171 CarbonylContact O-C 3.5Å; I163-V171 WeakPolarHBondContact O-CA 3.5Å; I163-V172 HydrophobicContact CG2-CB 4.41Å; I163-V172 PolarHBondContact O-N 3.32Å; I163-Q177 VanDerWaalsContact CD1-OE1 3.3Å; I163-V184 HydrophobicContact CG2-CB 4.15Å; I163-V184 HydrophobicContact CG2-CG1 3.66Å; I163-V184 HydrophobicContact CG2-CG2 4.18Å
164	T	85.1	Confident	81.2	Confident	61 Å²	61	90.4 Å²	90.4	37%	0.374	48%	0.48	S	S	.	.	B	Isolated β-bridge	trans	-107.3	144	179.9	47.9	0	0	0	0	112	Y162 H166 A170	Y162-T164 HydrophobicContact CD2-CG2 3.32Å; Y162-T164 HydrophobicContact CE2-CG2 3.18Å; T164-H166 PolarHBondContact O-N 2.92Å; T164-A170 WeakPolarHBondContact CA-O 3.41Å
165	C	90.4	Very high	81.1	Confident	0 Å²	0	86.3 Å²	86.3	0%	0	48%	0.475	C	S	.	.			trans	-73.8	125.3	168.5	169.3	0	0	0	0	109.3	K167 C168 R169 A170 V172 V184 H186 H189	C165-K167 VanDerWaalsContact C-N 3.26Å; C165-K167 PolarHBondContact O-N 3.39Å; C165-K167 PolarHBondContact SG-N 3.24Å; C165-K167 VanDerWaalsContact SG-N 3.39Å; C165-C168 VanDerWaalsContact CB-SG 3.57Å; C165-C168 VanDerWaalsContact SG-SG 3.63Å; C165-R169 WeakPolarHBondContact O-CA 3.24Å; C165-R169 PolarHBondContact O-N 3.32Å; C165-A170 PolarHBondContact N-O 3.14Å; C165-V172 HydrophobicContact CB-CG2 3.62Å; C165-V184 CarbonylContact C-O 3.55Å; C165-V184 WeakPolarHBondContact CA-O 3.15Å; C165-H186 VanDerWaalsContact CB-CE1 3.5Å; C165-H186 WeakPolarHBondContact CB-CE1 3.37Å; C165-H186 VanDerWaalsContact CB-ND1 3.26Å; C165-H186 WeakPolarHBondContact CB-ND1 3.42Å; C165-H186 PolarHBondContact SG-N 3.26Å; C165-H189 PolarHBondContact SG-CD2 3.42Å
166	H	89.5	Confident	81.4	Confident	102 Å²	102	87.7 Å²	87.7	47%	0.472	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-36.4	178.8	-173.7	97.2	0	0	0	112.8	T164 E183 V184 Y185	T164-H166 PolarHBondContact O-N 2.92Å; H166-E183 HydrophobicContact CB-CB 4.13Å; H166-E183 IonicContact CE1-OE2 3.89Å; H166-E183 IonicContact CG-OE2 3.34Å; H166-E183 VanDerWaalsContact ND1-CD 3.33Å; H166-E183 IonicContact ND1-OE2 3.86Å; H166-E183 PolarHBondContact ND1-OE2 2.83Å; H166-V184 WeakPolarHBondContact CB-O 3.43Å; H166-V184 PolarHBondContact N-O 3.19Å; H166-Y185 HydrophobicContact CB-CD1 4.14Å; H166-Y185 HydrophobicContact CB-CE1 3.67Å; H166-Y185 HydrophobicContact CB-CE2 4.41Å; H166-Y185 AromaticContact CD2-CZ 3.98Å; H166-Y185 PolarHBondContact CD2-OH 3.4Å
167	K	89.8	Confident	82	Confident	125 Å²	125	84.7 Å²	84.7	54%	0.543	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-55.1	-179.1	-170.7	176.3	-177.3	-179.7	0	114.1	C165 Y185 H189	C165-K167 VanDerWaalsContact C-N 3.26Å; C165-K167 PolarHBondContact O-N 3.39Å; C165-K167 PolarHBondContact SG-N 3.24Å; C165-K167 VanDerWaalsContact SG-N 3.39Å; K167-Y185 HydrophobicContact CB-CD1 3.8Å; K167-Y185 HydrophobicContact CB-CE1 3.97Å; K167-H189 HydrophobicContact CD-CB 3.85Å; K167-H189 PolarHBondContact NZ-O 3.01Å
168	C	89.7	Confident	82.7	Confident	55 Å²	55	80.7 Å²	80.7	37%	0.372	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-9.7	-173.4	69.8	0	0	0	0	114.5	C165 A170 H186 H189	C165-C168 VanDerWaalsContact CB-SG 3.57Å; C165-C168 VanDerWaalsContact SG-SG 3.63Å; C168-A170 PolarHBondContact O-N 2.77Å; C168-A170 VanDerWaalsContact O-N 3.16Å; C168-A170 PolarHBondContact SG-N 3.49Å; C168-H186 PolarHBondContact SG-CE1 2.81Å; C168-H186 PolarHBondContact SG-ND1 2.89Å; C168-H189 PolarHBondContact SG-NE2 2.84Å
169	R	83.5	Confident	83.7	Confident	203 Å²	203	85 Å²	85	77%	0.766	45%	0.447	S	S	*	.			trans	61.2	12.4	-176.2	-52.4	179.7	-179.4	166.3	-1.5	114.9	C165	C165-R169 WeakPolarHBondContact O-CA 3.24Å; C165-R169 PolarHBondContact O-N 3.32Å
170	A	83.2	Confident	84.9	Confident	22 Å²	22	83.3 Å²	83.3	18%	0.182	42%	0.42	C	S	.	.			trans	-83.5	161.8	172	0	0	0	0	0	111.2	T164 C165 C168	T164-A170 WeakPolarHBondContact CA-O 3.41Å; C165-A170 PolarHBondContact N-O 3.14Å; C168-A170 PolarHBondContact O-N 2.77Å; C168-A170 VanDerWaalsContact O-N 3.16Å; C168-A170 PolarHBondContact SG-N 3.49Å
171	V	84.1	Confident	86	Confident	47 Å²	47	85 Å²	85	29%	0.285	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-65.3	140.3	178.4	-178	0	0	0	0	110.6	H143 Y162 I163 H186	H143-V171 HydrophobicContact CB-CG2 3.38Å; Y162-V171 HydrophobicContact CD2-CG2 3.86Å; Y162-V171 HydrophobicContact CG-CG2 4.01Å; I163-V171 CarbonylContact O-C 3.5Å; I163-V171 WeakPolarHBondContact O-CA 3.5Å; V171-H186 PolarHBondContact O-CE1 2.94Å; V171-H186 PolarHBondContact O-NE2 3.04Å
172	V	86.8	Confident	86.8	Confident	4 Å²	4	85.2 Å²	85.2	2%	0.024	42%	0.419	C	S	.	.			trans	-105.5	124.1	169.7	-176.9	0	0	0	0	107.8	I163 C165 Q177 V184	I163-V172 HydrophobicContact CG2-CB 4.41Å; I163-V172 PolarHBondContact O-N 3.32Å; C165-V172 HydrophobicContact CB-CG2 3.62Å; V172-Q177 HydrophobicContact CG1-CB 3.99Å; V172-V184 HydrophobicContact CB-CG1 4.48Å; V172-V184 HydrophobicContact CG1-CG1 4.44Å; V172-V184 HydrophobicContact CG2-CG1 4.21Å
173	E	86.4	Confident	87.7	Confident	125 Å²	125	84 Å²	84	58%	0.584	42%	0.417	S	S	*	.			trans	-61.7	146	176.2	-67	179.5	-179.3	0	0	111	G175 Q176	E173-G175 PolarHBondContact O-N 3.44Å; E173-Q176 HydrophobicContact CB-CB 4.32Å; E173-Q176 HydrophobicContact CB-CG 4.2Å; E173-Q176 PolarHBondContact O-N 3.01Å; E173-Q176 PolarHBondContact OE2-NE2 3.28Å; E173-Q176 VanDerWaalsContact OE2-NE2 3.08Å
174	E	81.6	Confident	88.2	Confident	186 Å²	186	82.2 Å²	82.2	87%	0.869	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	129.9	176.8	-167.2	172.5	-172.7	0	0	110.1	Q176	E174-Q176 VanDerWaalsContact C-N 3.33Å; E174-Q176 PolarHBondContact O-N 3.26Å
175	G	84.7	Confident	88.6	Confident	52 Å²	52	80.8 Å²	80.8	54%	0.536	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	-12.6	-174.5	0	0	0	0	0	115.9	E173 S201	E173-G175 PolarHBondContact O-N 3.44Å; G175-S201 PolarHBondContact O-OG 3.12Å
176	Q	90.1	Very high	88.8	Confident	100 Å²	100	81.7 Å²	81.7	47%	0.467	40%	0.401	S	S	.	.			trans	-99	4.7	176	-63.5	-167.2	2.9	0	0	114.1	E173 E174 L178	E173-Q176 HydrophobicContact CB-CB 4.32Å; E173-Q176 HydrophobicContact CB-CG 4.2Å; E173-Q176 PolarHBondContact O-N 3.01Å; E173-Q176 PolarHBondContact OE2-NE2 3.28Å; E173-Q176 VanDerWaalsContact OE2-NE2 3.08Å; E174-Q176 VanDerWaalsContact C-N 3.33Å; E174-Q176 PolarHBondContact O-N 3.26Å; Q176-L178 PolarHBondContact O-N 2.87Å
177	Q	89.7	Confident	89	Confident	64 Å²	64	77.1 Å²	77.1	30%	0.299	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	123.1	178.5	58.3	-168.6	1.1	0	0	112.7	I163 V172 V184	I163-Q177 VanDerWaalsContact CD1-OE1 3.3Å; V172-Q177 HydrophobicContact CG1-CB 3.99Å; Q177-V184 HydrophobicContact CB-CG1 3.73Å
178	L	93.9	Very high	89.2	Confident	5 Å²	5	76.6 Å²	76.6	3%	0.026	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.9	164	-177	63.6	0	0	0	108.6	Q176 Y185 A187 F190 A203 L210	Q176-L178 PolarHBondContact O-N 2.87Å; L178-Y185 PolarHBondContact N-O 3.06Å; L178-Y185 PolarHBondContact O-N 3.18Å; L178-A187 HydrophobicContact CB-CB 4.06Å; L178-A187 HydrophobicContact CD2-CB 4.14Å; L178-F190 HydrophobicContact CD2-CD2 3.78Å; L178-F190 HydrophobicContact CD2-CE2 4.21Å; L178-A203 HydrophobicContact CD1-CB 3.85Å; L178-A203 HydrophobicContact CD2-CB 4.41Å; L178-L210 HydrophobicContact CD2-CD1 4.11Å
179	K	91.4	Very high	89.4	Confident	144 Å²	144	76 Å²	76	63%	0.626	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	122.4	171.4	-70.3	-176.4	-178.6	-179.7	0	109.1	E183 V184	K179-E183 WeakPolarHBondContact CA-O 3.39Å; K179-V184 HydrophobicContact CG-CG2 4.38Å
180	Y	92.7	Very high	90	Very high	32 Å²	32	68.3 Å²	68.3	13%	0.125	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	125.1	176	179	-124.6	0	0	0	108.9	S182 E183 Y185 F190 E205 G208 L210	Y180-S182 VanDerWaalsContact C-N 3.27Å; Y180-S182 PolarHBondContact O-N 3.43Å; Y180-E183 PolarHBondContact N-O 2.89Å; Y180-E183 PolarHBondContact O-N 2.76Å; Y180-Y185 HydrophobicContact CD1-CE2 4.43Å; Y180-F190 AromaticContact CD1-CE1 3.95Å; Y180-F190 HydrophobicContact CD1-CE1 3.95Å; Y180-F190 AromaticContact CD1-CZ 3.97Å; Y180-F190 HydrophobicContact CD1-CZ 3.97Å; Y180-F190 HydrophobicContact CE1-CE1 4.2Å; Y180-E205 HydrophobicContact CD2-CG 4.34Å; Y180-E205 WeakPolarHBondContact CD2-OE2 3.26Å; Y180-E205 HydrophobicContact CE2-CG 4.16Å; Y180-G208 PolarHBondContact OH-O 3.21Å; Y180-L210 HydrophobicContact CD1-CD1 4.11Å; Y180-L210 HydrophobicContact CD2-CD1 3.87Å; Y180-L210 HydrophobicContact CD2-CD2 3.73Å; Y180-L210 HydrophobicContact CD2-CG 3.75Å; Y180-L210 HydrophobicContact CE1-CD1 4.41Å; Y180-L210 HydrophobicContact CE2-CD1 4.17Å; Y180-L210 HydrophobicContact CE2-CD2 4.22Å; Y180-L210 HydrophobicContact CE2-CG 3.85Å; Y180-L210 HydrophobicContact CG-CD1 3.83Å; Y180-L210 HydrophobicContact CG-CD2 4.33Å; Y180-L210 HydrophobicContact CG-CG 4.25Å
181	R	89.5	Confident	90.7	Very high	165 Å²	165	71 Å²	71	62%	0.623	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	46.1	-176.3	-60	-177.9	175.3	-174.7	0.4	113.6	E183	R181-E183 PolarHBondContact O-N 3.46Å
182	S	85.1	Confident	91.3	Very high	123 Å²	123	69 Å²	69	86%	0.86	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	3.2	-179.3	-53	0	0	0	0	116.6	Y180	Y180-S182 VanDerWaalsContact C-N 3.27Å; Y180-S182 PolarHBondContact O-N 3.43Å
183	E	92.5	Very high	91.8	Very high	85 Å²	85	71.6 Å²	71.6	40%	0.397	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	153.8	177.9	-66.6	-65.6	155.7	0	0	110.7	H166 K179 Y180 R181 Y185	H166-E183 HydrophobicContact CB-CB 4.13Å; H166-E183 IonicContact CE1-OE2 3.89Å; H166-E183 IonicContact CG-OE2 3.34Å; H166-E183 VanDerWaalsContact ND1-CD 3.33Å; H166-E183 IonicContact ND1-OE2 3.86Å; H166-E183 PolarHBondContact ND1-OE2 2.83Å; K179-E183 WeakPolarHBondContact CA-O 3.39Å; Y180-E183 PolarHBondContact N-O 2.89Å; Y180-E183 PolarHBondContact O-N 2.76Å; R181-E183 PolarHBondContact O-N 3.46Å; E183-Y185 HydrophobicContact CB-CD2 4.34Å; E183-Y185 HydrophobicContact CB-CE2 3.48Å; E183-Y185 VanDerWaalsContact CB-CE2 3.48Å
184	V	91.7	Very high	92	Very high	27 Å²	27	69.6 Å²	69.6	16%	0.164	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	135.4	178.5	179.2	0	0	0	0	110.3	I163 C165 H166 V172 Q177 K179	I163-V184 HydrophobicContact CG2-CB 4.15Å; I163-V184 HydrophobicContact CG2-CG1 3.66Å; I163-V184 HydrophobicContact CG2-CG2 4.18Å; C165-V184 CarbonylContact C-O 3.55Å; C165-V184 WeakPolarHBondContact CA-O 3.15Å; H166-V184 WeakPolarHBondContact CB-O 3.43Å; H166-V184 PolarHBondContact N-O 3.19Å; V172-V184 HydrophobicContact CB-CG1 4.48Å; V172-V184 HydrophobicContact CG1-CG1 4.44Å; V172-V184 HydrophobicContact CG2-CG1 4.21Å; Q177-V184 HydrophobicContact CB-CG1 3.73Å; K179-V184 HydrophobicContact CG-CG2 4.38Å
185	Y	94.4	Very high	92.5	Very high	31 Å²	31	64 Å²	64	12%	0.122	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	161.1	177.1	-60.7	-94.5	0	0	0	111.7	H166 K167 L178 Y180 E183 F190	H166-Y185 HydrophobicContact CB-CD1 4.14Å; H166-Y185 HydrophobicContact CB-CE1 3.67Å; H166-Y185 HydrophobicContact CB-CE2 4.41Å; H166-Y185 AromaticContact CD2-CZ 3.98Å; H166-Y185 PolarHBondContact CD2-OH 3.4Å; K167-Y185 HydrophobicContact CB-CD1 3.8Å; K167-Y185 HydrophobicContact CB-CE1 3.97Å; L178-Y185 PolarHBondContact N-O 3.06Å; L178-Y185 PolarHBondContact O-N 3.18Å; Y180-Y185 HydrophobicContact CD1-CE2 4.43Å; E183-Y185 HydrophobicContact CB-CD2 4.34Å; E183-Y185 HydrophobicContact CB-CE2 3.48Å; E183-Y185 VanDerWaalsContact CB-CE2 3.48Å; Y185-F190 AromaticContact CD1-CE2 4Å; Y185-F190 HydrophobicContact CD1-CE2 4Å; Y185-F190 AromaticContact CD1-CZ 3.82Å; Y185-F190 HydrophobicContact CD1-CZ 3.82Å; Y185-F190 HydrophobicContact CD2-CE2 4.13Å; Y185-F190 HydrophobicContact CD2-CZ 4.03Å; Y185-F190 HydrophobicContact CE1-CZ 4.19Å; Y185-F190 HydrophobicContact CE2-CZ 4.37Å; Y185-F190 AromaticContact CG-CE2 3.64Å; Y185-F190 HydrophobicContact CG-CE2 3.64Å; Y185-F190 AromaticContact CG-CZ 3.75Å; Y185-F190 HydrophobicContact CG-CZ 3.75Å
186	H	93.9	Very high	93	Very high	18 Å²	18	63.9 Å²	63.9	8%	0.083	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	134.8	155.9	-61.7	107.6	0	0	0	110.1	C165 C168 V171 Y188 H189	C165-H186 VanDerWaalsContact CB-CE1 3.5Å; C165-H186 WeakPolarHBondContact CB-CE1 3.37Å; C165-H186 VanDerWaalsContact CB-ND1 3.26Å; C165-H186 WeakPolarHBondContact CB-ND1 3.42Å; C165-H186 PolarHBondContact SG-N 3.26Å; C168-H186 PolarHBondContact SG-CE1 2.81Å; C168-H186 PolarHBondContact SG-ND1 2.89Å; V171-H186 PolarHBondContact O-CE1 2.94Å; V171-H186 PolarHBondContact O-NE2 3.04Å; H186-Y188 VanDerWaalsContact C-N 3.31Å; H186-Y188 HydrophobicContact CB-CD1 3.63Å; H186-Y188 HydrophobicContact CB-CE1 3.24Å; H186-Y188 HydrophobicContact CB-CE2 4.26Å; H186-Y188 HydrophobicContact CB-CG 4.27Å; H186-Y188 AromaticContact CD2-CE1 3.75Å; H186-Y188 AromaticContact CG-CE1 3.42Å; H186-Y188 VanDerWaalsContact CG-CE1 3.42Å; H186-Y188 AromaticContact CG-CZ 3.65Å; H186-Y188 AromaticContact ND1-CZ 3.88Å; H186-Y188 PolarHBondContact ND1-OH 3.37Å; H186-Y188 PolarHBondContact O-N 3.26Å; H186-H189 AromaticContact ND1-NE2 3.75Å; H186-H189 WeakPolarHBondContact O-CB 3.18Å; H186-H189 PolarHBondContact O-N 3.35Å
187	A	94.6	Very high	93.1	Very high	7 Å²	7	61 Å²	61	6%	0.058	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-63.1	-36.3	-178.6	0	0	0	0	0	113.4	L178 H189 F190 L199 S200	L178-A187 HydrophobicContact CB-CB 4.06Å; L178-A187 HydrophobicContact CD2-CB 4.14Å; A187-H189 PolarHBondContact O-N 3.04Å; A187-F190 PolarHBondContact O-N 3.32Å; A187-L199 CarbonylContact C-O 3.5Å; A187-L199 HydrophobicContact CB-CB 4.5Å; A187-L199 WeakPolarHBondContact CB-O 3.36Å; A187-S200 VanDerWaalsContact CB-CA 3.48Å; A187-S200 VanDerWaalsContact CB-O 3.25Å; A187-S200 WeakPolarHBondContact CB-O 3.25Å
188	Y	93.7	Very high	93.5	Very high	114 Å²	114	64.6 Å²	64.6	45%	0.447	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-63	-12.3	-179.9	67.6	-105.5	0	0	0	114.1	H186 F190 E198 L199	H186-Y188 VanDerWaalsContact C-N 3.31Å; H186-Y188 HydrophobicContact CB-CD1 3.63Å; H186-Y188 HydrophobicContact CB-CE1 3.24Å; H186-Y188 HydrophobicContact CB-CE2 4.26Å; H186-Y188 HydrophobicContact CB-CG 4.27Å; H186-Y188 AromaticContact CD2-CE1 3.75Å; H186-Y188 AromaticContact CG-CE1 3.42Å; H186-Y188 VanDerWaalsContact CG-CE1 3.42Å; H186-Y188 AromaticContact CG-CZ 3.65Å; H186-Y188 AromaticContact ND1-CZ 3.88Å; H186-Y188 PolarHBondContact ND1-OH 3.37Å; H186-Y188 PolarHBondContact O-N 3.26Å; Y188-F190 PolarHBondContact O-N 3.03Å; Y188-E198 VanDerWaalsContact CB-CD 3.44Å; Y188-L199 PolarHBondContact N-O 3.28Å
189	H	94.9	Very high	93.6	Very high	43 Å²	43	64.7 Å²	64.7	20%	0.199	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-70.2	-9.5	172.8	-75	-34.1	0	0	0	114.1	C165 K167 C168 H186 A187	C165-H189 PolarHBondContact SG-CD2 3.42Å; K167-H189 HydrophobicContact CD-CB 3.85Å; K167-H189 PolarHBondContact NZ-O 3.01Å; C168-H189 PolarHBondContact SG-NE2 2.84Å; H186-H189 AromaticContact ND1-NE2 3.75Å; H186-H189 WeakPolarHBondContact O-CB 3.18Å; H186-H189 PolarHBondContact O-N 3.35Å; A187-H189 PolarHBondContact O-N 3.04Å
190	F	96.1	Very high	93.6	Very high	41 Å²	41	60.3 Å²	60.3	18%	0.18	34%	0.343	C	S	.	.			trans	-125.5	154	-175.7	-57.3	-83.9	0	0	0	111	L178 Y180 Y185 A187 Y188 L199 L210	L178-F190 HydrophobicContact CD2-CD2 3.78Å; L178-F190 HydrophobicContact CD2-CE2 4.21Å; Y180-F190 AromaticContact CD1-CE1 3.95Å; Y180-F190 HydrophobicContact CD1-CE1 3.95Å; Y180-F190 AromaticContact CD1-CZ 3.97Å; Y180-F190 HydrophobicContact CD1-CZ 3.97Å; Y180-F190 HydrophobicContact CE1-CE1 4.2Å; Y185-F190 AromaticContact CD1-CE2 4Å; Y185-F190 HydrophobicContact CD1-CE2 4Å; Y185-F190 AromaticContact CD1-CZ 3.82Å; Y185-F190 HydrophobicContact CD1-CZ 3.82Å; Y185-F190 HydrophobicContact CD2-CE2 4.13Å; Y185-F190 HydrophobicContact CD2-CZ 4.03Å; Y185-F190 HydrophobicContact CE1-CZ 4.19Å; Y185-F190 HydrophobicContact CE2-CZ 4.37Å; Y185-F190 AromaticContact CG-CE2 3.64Å; Y185-F190 HydrophobicContact CG-CE2 3.64Å; Y185-F190 AromaticContact CG-CZ 3.75Å; Y185-F190 HydrophobicContact CG-CZ 3.75Å; A187-F190 PolarHBondContact O-N 3.32Å; Y188-F190 PolarHBondContact O-N 3.03Å; F190-L199 HydrophobicContact CB-CB 4.47Å; F190-L199 HydrophobicContact CB-CD1 3.71Å; F190-L199 HydrophobicContact CB-CG 4.27Å; F190-L199 PolarHBondContact O-N 3.01Å; F190-L210 HydrophobicContact CB-CD1 4.02Å; F190-L210 HydrophobicContact CD1-CD1 3.65Å; F190-L210 HydrophobicContact CD2-CD1 4.08Å; F190-L210 HydrophobicContact CE1-CD1 4.08Å; F190-L210 HydrophobicContact CE2-CD1 4.45Å; F190-L210 HydrophobicContact CG-CD1 3.65Å; F190-L210 HydrophobicContact CZ-CD1 4.46Å
191	S	97.5	Very high	93.7	Very high	79 Å²	79	61.2 Å²	61.2	55%	0.552	35%	0.354	S	S	*	.	B	Isolated β-bridge	trans	-118.3	145.1	174	-57.5	0	0	0	0	108.9	A193 G196 S197	S191-A193 PolarHBondContact O-N 3.16Å; S191-G196 WeakPolarHBondContact CB-O 3.27Å; S191-S197 CarbonylContact C-O 3.57Å; S191-S197 WeakPolarHBondContact CA-O 3.47Å
192	C	96.5	Very high	93.9	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.02	34%	0.34	C	S	.	.			trans	-58.3	124.7	176.1	179.1	0	0	0	0	110.4	S194 C195 G196 S197 L199 C212 C215	C192-S194 PolarHBondContact O-N 3.46Å; C192-S194 VanDerWaalsContact O-N 3.1Å; C192-S194 PolarHBondContact SG-N 3.1Å; C192-C195 VanDerWaalsContact CB-SG 3.51Å; C192-C195 PolarHBondContact O-N 3.49Å; C192-G196 VanDerWaalsContact O-CA 3.27Å; C192-G196 WeakPolarHBondContact O-CA 3.46Å; C192-G196 PolarHBondContact O-N 2.84Å; C192-S197 PolarHBondContact N-O 3.46Å; C192-L199 HydrophobicContact CB-CD2 3.67Å; C192-C212 HydrophobicContact CB-CB 4.25Å; C192-C212 PolarHBondContact SG-N 2.8Å; C192-C212 VanDerWaalsContact SG-N 3.36Å; C192-C215 VanDerWaalsContact SG-SG 3.66Å
193	A	96.1	Very high	94.3	Very high	60 Å²	60	50.9 Å²	50.9	50%	0.496	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.1	179	0	0	0	0	0	113.3	S191 D209 L210 Y211	S191-A193 PolarHBondContact O-N 3.16Å; A193-D209 HydrophobicContact CB-CB 4Å; A193-L210 PolarHBondContact N-O 3.31Å; A193-Y211 HydrophobicContact CB-CD1 4.16Å; A193-Y211 HydrophobicContact CB-CE1 3.68Å
194	S	91.3	Very high	94.4	Very high	82 Å²	82	52.1 Å²	52.1	57%	0.573	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-46.8	178.4	-176.8	0	0	0	0	114.2	C192	C192-S194 PolarHBondContact O-N 3.46Å; C192-S194 VanDerWaalsContact O-N 3.1Å; C192-S194 PolarHBondContact SG-N 3.1Å
195	C	92.3	Very high	94.5	Very high	70 Å²	70	55.1 Å²	55.1	47%	0.473	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-4.8	-172	68.9	0	0	0	0	114.8	C192 S197	C192-C195 VanDerWaalsContact CB-SG 3.51Å; C192-C195 PolarHBondContact O-N 3.49Å; C195-S197 PolarHBondContact O-N 3.21Å; C195-S197 VanDerWaalsContact O-N 3.16Å; C195-S197 PolarHBondContact SG-OG 2.87Å
196	G	94.4	Very high	94.3	Very high	48 Å²	48	57.2 Å²	57.2	50%	0.495	33%	0.325	S	S	.	.			trans	72.5	-2.7	-179.8	0	0	0	0	0	115.5	S191 C192	S191-G196 WeakPolarHBondContact CB-O 3.27Å; C192-G196 VanDerWaalsContact O-CA 3.27Å; C192-G196 WeakPolarHBondContact O-CA 3.46Å; C192-G196 PolarHBondContact O-N 2.84Å
197	S	93.6	Very high	94.1	Very high	39 Å²	39	63.5 Å²	63.5	27%	0.273	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-64.7	144.2	179.2	70	0	0	0	0	111.4	S191 C192 C195 L199	S191-S197 CarbonylContact C-O 3.57Å; S191-S197 WeakPolarHBondContact CA-O 3.47Å; C192-S197 PolarHBondContact N-O 3.46Å; C195-S197 PolarHBondContact O-N 3.21Å; C195-S197 VanDerWaalsContact O-N 3.16Å; C195-S197 PolarHBondContact SG-OG 2.87Å; S197-L199 PolarHBondContact O-N 2.87Å
198	E	96.9	Very high	93.9	Very high	141 Å²	141	64.1 Å²	64.1	66%	0.659	37%	0.367	S	S	*	.	B	Isolated β-bridge	trans	-51.5	136.5	168.3	-170.8	176.7	95.7	0	0	110.5	Y188	Y188-E198 VanDerWaalsContact CB-CD 3.44Å
199	L	96.3	Very high	94	Very high	6 Å²	6	62.6 Å²	62.6	3%	0.031	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-87.8	149.5	-177.9	-65	-174.5	0	0	0	111.8	A187 Y188 F190 C192 S197 A203 L210 C212	A187-L199 CarbonylContact C-O 3.5Å; A187-L199 HydrophobicContact CB-CB 4.5Å; A187-L199 WeakPolarHBondContact CB-O 3.36Å; Y188-L199 PolarHBondContact N-O 3.28Å; F190-L199 HydrophobicContact CB-CB 4.47Å; F190-L199 HydrophobicContact CB-CD1 3.71Å; F190-L199 HydrophobicContact CB-CG 4.27Å; F190-L199 PolarHBondContact O-N 3.01Å; C192-L199 HydrophobicContact CB-CD2 3.67Å; S197-L199 PolarHBondContact O-N 2.87Å; L199-A203 HydrophobicContact CB-CB 4.05Å; L199-A203 HydrophobicContact CD1-CB 3.84Å; L199-A203 HydrophobicContact CD2-CB 4.12Å; L199-A203 HydrophobicContact CG-CB 4.23Å; L199-L210 HydrophobicContact CD1-CB 3.54Å; L199-L210 HydrophobicContact CD1-CD1 4.26Å; L199-L210 HydrophobicContact CD1-CG 4.45Å; L199-C212 HydrophobicContact CD2-CB 3.72Å
200	S	92.9	Very high	94	Very high	52 Å²	52	61.1 Å²	61.1	36%	0.364	36%	0.36	S	S	.	.			trans	-106.5	177.2	168.9	79.9	0	0	0	0	110.1	A187 D202 A203	A187-S200 VanDerWaalsContact CB-CA 3.48Å; A187-S200 VanDerWaalsContact CB-O 3.25Å; A187-S200 WeakPolarHBondContact CB-O 3.25Å; S200-D202 PolarHBondContact O-N 3.36Å; S200-D202 PolarHBondContact OG-N 3.22Å; S200-D202 PolarHBondContact OG-OD1 2.85Å; S200-D202 PolarHBondContact OG-OD2 3.28Å; S200-A203 WeakPolarHBondContact O-CB 3.44Å; S200-A203 PolarHBondContact O-N 2.88Å; S200-A203 VanDerWaalsContact O-N 3.12Å
201	S	93.1	Very high	93.9	Very high	52 Å²	52	60.8 Å²	60.8	36%	0.364	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-9.4	177.4	55.9	0	0	0	0	113.9	G175 A203	G175-S201 PolarHBondContact O-OG 3.12Å; S201-A203 VanDerWaalsContact C-N 3.34Å
202	D	93.4	Very high	93.8	Very high	63 Å²	63	57.5 Å²	57.5	34%	0.337	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-1.7	175.2	74.5	19.1	0	0	0	114.7	S200 R204 L213	S200-D202 PolarHBondContact O-N 3.36Å; S200-D202 PolarHBondContact OG-N 3.22Å; S200-D202 PolarHBondContact OG-OD1 2.85Å; S200-D202 PolarHBondContact OG-OD2 3.28Å; D202-R204 PolarHBondContact O-NH1 3.03Å; D202-L213 HydrophobicContact CB-CB 4.46Å; D202-L213 HydrophobicContact CB-CD2 4.43Å
203	A	95.1	Very high	93.5	Very high	7 Å²	7	60 Å²	60	6%	0.058	35%	0.347	C	S	.	.			trans	-60	155.6	-178	0	0	0	0	0	112.5	L178 L199 S200 S201 Y211	L178-A203 HydrophobicContact CD1-CB 3.85Å; L178-A203 HydrophobicContact CD2-CB 4.41Å; L199-A203 HydrophobicContact CB-CB 4.05Å; L199-A203 HydrophobicContact CD1-CB 3.84Å; L199-A203 HydrophobicContact CD2-CB 4.12Å; L199-A203 HydrophobicContact CG-CB 4.23Å; S200-A203 WeakPolarHBondContact O-CB 3.44Å; S200-A203 PolarHBondContact O-N 2.88Å; S200-A203 VanDerWaalsContact O-N 3.12Å; S201-A203 VanDerWaalsContact C-N 3.34Å; A203-Y211 WeakPolarHBondContact CA-O 3.46Å; A203-Y211 WeakPolarHBondContact CB-O 3.49Å
204	R	93.4	Very high	93.1	Very high	111 Å²	111	65.9 Å²	65.9	42%	0.419	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136	-176.7	-61.7	-65.8	-179.9	-102.8	-1.3	110.1	D202 Y211 L213 H216	D202-R204 PolarHBondContact O-NH1 3.03Å; R204-Y211 PolarHBondContact N-O 3.47Å; R204-Y211 PolarHBondContact O-N 3.47Å; R204-L213 HydrophobicContact CG-CD1 4.34Å; R204-H216 HydrophobicContact CB-CB 3.96Å; R204-H216 WeakPolarHBondContact CB-CD2 3.4Å; R204-H216 HydrophobicContact CG-CB 4.24Å
205	E	93.5	Very high	93	Very high	91 Å²	91	62.8 Å²	62.8	43%	0.425	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132.9	171.3	-174.7	177.6	168.1	0	0	109.5	Y180 D209 L210	Y180-E205 HydrophobicContact CD2-CG 4.34Å; Y180-E205 WeakPolarHBondContact CD2-OE2 3.26Å; Y180-E205 HydrophobicContact CE2-CG 4.16Å; E205-D209 CarbonylContact C-O 3.51Å; E205-D209 VanDerWaalsContact CA-O 3.29Å; E205-D209 WeakPolarHBondContact CA-O 3.33Å; E205-L210 HydrophobicContact CB-CD2 4.1Å
206	K	90.3	Very high	92.9	Very high	75 Å²	75	62.2 Å²	62.2	33%	0.326	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	128.3	170.3	-176	177.4	171.9	-172.2	0	109.3	G208 D209 Y211 M219	K206-G208 PolarHBondContact O-N 3.08Å; K206-G208 VanDerWaalsContact O-N 3.1Å; K206-D209 PolarHBondContact N-O 2.87Å; K206-D209 PolarHBondContact O-N 3.1Å; K206-Y211 HydrophobicContact CB-CD2 4.16Å; K206-Y211 HydrophobicContact CB-CE2 4.05Å; K206-M219 HydrophobicContact CD-CE 4.38Å; K206-M219 HydrophobicContact CD-SD 3.63Å
207	D	89.8	Confident	92.4	Very high	149 Å²	149	64.2 Å²	64.2	80%	0.797	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	30.3	179.7	-54.6	-43	0	0	0	113.9
208	G	91.7	Very high	91.8	Very high	21 Å²	21	67.7 Å²	67.7	22%	0.216	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	-6.9	179.2	0	0	0	0	0	115.6	Y180 K206	Y180-G208 PolarHBondContact OH-O 3.21Å; K206-G208 PolarHBondContact O-N 3.08Å; K206-G208 VanDerWaalsContact O-N 3.1Å
209	D	94.3	Very high	91	Very high	82 Å²	82	64.1 Å²	64.1	44%	0.439	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	153.9	178.8	-71.1	-39.6	0	0	0	112.2	A193 E205 K206 Y211	A193-D209 HydrophobicContact CB-CB 4Å; E205-D209 CarbonylContact C-O 3.51Å; E205-D209 VanDerWaalsContact CA-O 3.29Å; E205-D209 WeakPolarHBondContact CA-O 3.33Å; K206-D209 PolarHBondContact N-O 2.87Å; K206-D209 PolarHBondContact O-N 3.1Å; D209-Y211 HydrophobicContact CB-CD2 4.46Å; D209-Y211 HydrophobicContact CB-CE2 3.54Å; D209-Y211 WeakPolarHBondContact O-CD2 3.48Å; D209-Y211 WeakPolarHBondContact O-CE2 3.29Å
210	L	96	Very high	90.1	Very high	12 Å²	12	67.2 Å²	67.2	6%	0.063	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.4	179.2	-72.3	169.6	0	0	0	111.9	L178 Y180 F190 A193 L199 E205	L178-L210 HydrophobicContact CD2-CD1 4.11Å; Y180-L210 HydrophobicContact CD1-CD1 4.11Å; Y180-L210 HydrophobicContact CD2-CD1 3.87Å; Y180-L210 HydrophobicContact CD2-CD2 3.73Å; Y180-L210 HydrophobicContact CD2-CG 3.75Å; Y180-L210 HydrophobicContact CE1-CD1 4.41Å; Y180-L210 HydrophobicContact CE2-CD1 4.17Å; Y180-L210 HydrophobicContact CE2-CD2 4.22Å; Y180-L210 HydrophobicContact CE2-CG 3.85Å; Y180-L210 HydrophobicContact CG-CD1 3.83Å; Y180-L210 HydrophobicContact CG-CD2 4.33Å; Y180-L210 HydrophobicContact CG-CG 4.25Å; F190-L210 HydrophobicContact CB-CD1 4.02Å; F190-L210 HydrophobicContact CD1-CD1 3.65Å; F190-L210 HydrophobicContact CD2-CD1 4.08Å; F190-L210 HydrophobicContact CE1-CD1 4.08Å; F190-L210 HydrophobicContact CE2-CD1 4.45Å; F190-L210 HydrophobicContact CG-CD1 3.65Å; F190-L210 HydrophobicContact CZ-CD1 4.46Å; A193-L210 PolarHBondContact N-O 3.31Å; L199-L210 HydrophobicContact CD1-CB 3.54Å; L199-L210 HydrophobicContact CD1-CD1 4.26Å; L199-L210 HydrophobicContact CD1-CG 4.45Å; E205-L210 HydrophobicContact CB-CD2 4.1Å
211	Y	94.4	Very high	89.5	Confident	33 Å²	33	67 Å²	67	13%	0.129	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.4	-179.3	-59.2	-89.4	0	0	0	110.4	A193 A203 R204 K206 D209 C215 M219	A193-Y211 HydrophobicContact CB-CD1 4.16Å; A193-Y211 HydrophobicContact CB-CE1 3.68Å; A203-Y211 WeakPolarHBondContact CA-O 3.46Å; A203-Y211 WeakPolarHBondContact CB-O 3.49Å; R204-Y211 PolarHBondContact N-O 3.47Å; R204-Y211 PolarHBondContact O-N 3.47Å; K206-Y211 HydrophobicContact CB-CD2 4.16Å; K206-Y211 HydrophobicContact CB-CE2 4.05Å; D209-Y211 HydrophobicContact CB-CD2 4.46Å; D209-Y211 HydrophobicContact CB-CE2 3.54Å; D209-Y211 WeakPolarHBondContact O-CD2 3.48Å; D209-Y211 WeakPolarHBondContact O-CE2 3.29Å; Y211-C215 HydrophobicContact CD1-CB 4.48Å; Y211-M219 HydrophobicContact CD1-CE 3.09Å; Y211-M219 HydrophobicContact CD2-CE 3.42Å; Y211-M219 VanDerWaalsContact CD2-CE 3.42Å; Y211-M219 HydrophobicContact CE1-CE 3.16Å; Y211-M219 HydrophobicContact CE1-SD 4.49Å; Y211-M219 HydrophobicContact CE2-CE 3.5Å; Y211-M219 HydrophobicContact CG-CE 3.21Å
212	C	94.5	Very high	89.2	Confident	10 Å²	10	66.8 Å²	66.8	7%	0.068	34%	0.344	C	S	.	.			trans	-65.3	152.9	167.6	70.4	0	0	0	0	109.4	C192 L199 R214 C215 H216	C192-C212 HydrophobicContact CB-CB 4.25Å; C192-C212 PolarHBondContact SG-N 2.8Å; C192-C212 VanDerWaalsContact SG-N 3.36Å; L199-C212 HydrophobicContact CD2-CB 3.72Å; C212-R214 PolarHBondContact O-N 3.31Å; C212-R214 VanDerWaalsContact O-N 3.1Å; C212-C215 PolarHBondContact O-N 3.34Å; C212-C215 PolarHBondContact SG-SG 3.1Å; C212-H216 PolarHBondContact O-N 2.86Å
213	L	90.3	Very high	88.7	Confident	55 Å²	55	67.4 Å²	67.4	29%	0.288	35%	0.346	S	S	.	.	H	α-helix	trans	-48.5	-45.4	-177	-173.2	62.6	0	0	0	112.1	D202 R204 C215 H216 D217	D202-L213 HydrophobicContact CB-CB 4.46Å; D202-L213 HydrophobicContact CB-CD2 4.43Å; R204-L213 HydrophobicContact CG-CD1 4.34Å; L213-C215 PolarHBondContact O-N 3.34Å; L213-H216 PolarHBondContact O-N 3.35Å; L213-D217 WeakPolarHBondContact O-CB 3.48Å; L213-D217 PolarHBondContact O-N 2.93Å
214	R	88.1	Confident	88.4	Confident	185 Å²	185	67 Å²	67	70%	0.698	34%	0.344	S	S	*	.	H	α-helix	trans	-59.4	-39.7	177.1	-66.6	-174.5	-67.6	-175	-3.4	114.6	C212 K218	C212-R214 PolarHBondContact O-N 3.31Å; C212-R214 VanDerWaalsContact O-N 3.1Å; R214-K218 VanDerWaalsContact O-CG 3.27Å; R214-K218 WeakPolarHBondContact O-CG 3.27Å; R214-K218 PolarHBondContact O-N 3.06Å
215	C	88.3	Confident	88.2	Confident	16 Å²	16	63.1 Å²	63.1	11%	0.108	34%	0.338	C	S	.	.	H	α-helix	trans	-78.5	-38.4	180	-70.5	0	0	0	0	111.1	C192 Y211 C212 L213 K218 M219	C192-C215 VanDerWaalsContact SG-SG 3.66Å; Y211-C215 HydrophobicContact CD1-CB 4.48Å; C212-C215 PolarHBondContact O-N 3.34Å; C212-C215 PolarHBondContact SG-SG 3.1Å; L213-C215 PolarHBondContact O-N 3.34Å; C215-K218 PolarHBondContact O-N 3.34Å; C215-M219 WeakPolarHBondContact O-CG 3.45Å; C215-M219 PolarHBondContact O-N 2.9Å
216	H	90.1	Very high	88	Confident	59 Å²	59	61.4 Å²	61.4	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-57.3	-50.5	173.4	178.3	-87.7	0	0	0	111.3	R204 C212 L213 K218 M219	R204-H216 HydrophobicContact CB-CB 3.96Å; R204-H216 WeakPolarHBondContact CB-CD2 3.4Å; R204-H216 HydrophobicContact CG-CB 4.24Å; C212-H216 PolarHBondContact O-N 2.86Å; L213-H216 PolarHBondContact O-N 3.35Å; H216-K218 VanDerWaalsContact C-N 3.26Å; H216-K218 PolarHBondContact O-N 3.01Å; H216-M219 WeakPolarHBondContact O-CB 3.42Å; H216-M219 PolarHBondContact O-N 3.29Å
217	D	83.6	Confident	87.9	Confident	90 Å²	90	59.9 Å²	59.9	48%	0.481	34%	0.337	S	S	.	.	H	α-helix	trans	-61.9	-35.7	-178.9	-65.8	-12.4	0	0	0	111.9	L213 M219	L213-D217 WeakPolarHBondContact O-CB 3.48Å; L213-D217 PolarHBondContact O-N 2.93Å; D217-M219 VanDerWaalsContact C-N 3.29Å; D217-M219 PolarHBondContact O-N 2.89Å
218	K	81.1	Confident	87.7	Confident	111 Å²	111	62.8 Å²	62.8	48%	0.483	34%	0.337	S	S	.	.	H	α-helix	trans	-67.6	-21.8	176.4	-77.5	176.7	-177.4	-176.5	0	114.4	R214 C215 H216 G220 I221 P230	R214-K218 VanDerWaalsContact O-CG 3.27Å; R214-K218 WeakPolarHBondContact O-CG 3.27Å; R214-K218 PolarHBondContact O-N 3.06Å; C215-K218 PolarHBondContact O-N 3.34Å; H216-K218 VanDerWaalsContact C-N 3.26Å; H216-K218 PolarHBondContact O-N 3.01Å; K218-G220 PolarHBondContact O-N 3.29Å; K218-I221 HydrophobicContact CG-CD1 4.45Å; K218-I221 WeakPolarHBondContact O-CB 3.5Å; K218-I221 PolarHBondContact O-N 3.37Å; K218-P230 HydrophobicContact CD-CG 4.24Å; K218-P230 HydrophobicContact CG-CG 4.27Å
219	M	81	Confident	87.2	Confident	66 Å²	66	70.1 Å²	70.1	33%	0.325	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.2	-177.3	-71.5	-165.9	-136.7	0	0	114.3	K206 Y211 C215 H216 D217 I221	K206-M219 HydrophobicContact CD-CE 4.38Å; K206-M219 HydrophobicContact CD-SD 3.63Å; Y211-M219 HydrophobicContact CD1-CE 3.09Å; Y211-M219 HydrophobicContact CD2-CE 3.42Å; Y211-M219 VanDerWaalsContact CD2-CE 3.42Å; Y211-M219 HydrophobicContact CE1-CE 3.16Å; Y211-M219 HydrophobicContact CE1-SD 4.49Å; Y211-M219 HydrophobicContact CE2-CE 3.5Å; Y211-M219 HydrophobicContact CG-CE 3.21Å; C215-M219 WeakPolarHBondContact O-CG 3.45Å; C215-M219 PolarHBondContact O-N 2.9Å; H216-M219 WeakPolarHBondContact O-CB 3.42Å; H216-M219 PolarHBondContact O-N 3.29Å; D217-M219 VanDerWaalsContact C-N 3.29Å; D217-M219 PolarHBondContact O-N 2.89Å; M219-I221 VanDerWaalsContact C-N 3.3Å
220	G	77	Confident	86.7	Confident	72 Å²	72	67.7 Å²	67.7	74%	0.742	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.3	171.9	0	0	0	0	0	113.5	K218	K218-G220 PolarHBondContact O-N 3.29Å
221	I	81.2	Confident	86.3	Confident	48 Å²	48	67.3 Å²	67.3	25%	0.246	35%	0.345	C	S	.	.	S	Bend	trans	-98.7	124.6	-170.8	-49.1	178	0	0	0	109.3	K218 M219 I223 P230 I231	K218-I221 HydrophobicContact CG-CD1 4.45Å; K218-I221 WeakPolarHBondContact O-CB 3.5Å; K218-I221 PolarHBondContact O-N 3.37Å; M219-I221 VanDerWaalsContact C-N 3.3Å; I221-I223 PolarHBondContact O-N 3.41Å; I221-P230 HydrophobicContact CB-CB 4.1Å; I221-P230 HydrophobicContact CD1-CB 4.46Å; I221-P230 HydrophobicContact CG2-CB 3.52Å; I221-I231 VanDerWaalsContact CG2-O 3.25Å; I221-I231 WeakPolarHBondContact CG2-O 3.21Å
222	P	85.4	Confident	85.7	Confident	46 Å²	46	73.8 Å²	73.8	30%	0.299	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-61.4	134.8	178.2	20.3	-27.3	0	0	0	111.1	I231 V235 T242	P222-I231 HydrophobicContact CB-CD1 4.36Å; P222-I231 HydrophobicContact CG-CB 4.23Å; P222-I231 WeakPolarHBondContact O-CB 3.34Å; P222-I231 WeakPolarHBondContact O-CG1 3.25Å; P222-I231 PolarHBondContact O-N 3.29Å; P222-V235 HydrophobicContact CB-CG2 4.25Å; P222-V235 HydrophobicContact CG-CB 4.44Å; P222-V235 HydrophobicContact CG-CG2 4.26Å; P222-T242 HydrophobicContact CB-CG2 3.81Å
223	I	83.2	Confident	85.2	Confident	76 Å²	76	81.4 Å²	81.4	39%	0.39	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-99.2	125.1	-178	-56.9	-56.6	0	0	0	110.5	I221 G225 P230 T242	I221-I223 PolarHBondContact O-N 3.41Å; I223-G225 PolarHBondContact O-N 2.88Å; I223-P230 HydrophobicContact CD1-CB 4.11Å; I223-P230 HydrophobicContact CD1-CG 3.99Å; I223-T242 PolarHBondContact O-OG1 3.45Å
224	C	89.9	Confident	85.2	Confident	0 Å²	0	88 Å²	88	0%	0	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-62.6	125.9	-180	175.6	0	0	0	0	112.2	A226 R228 R229 I231 T242 H244 H247	C224-A226 PolarHBondContact O-N 3.26Å; C224-A226 VanDerWaalsContact O-N 3.13Å; C224-A226 PolarHBondContact SG-N 2.78Å; C224-R228 WeakPolarHBondContact O-CA 3.41Å; C224-R228 PolarHBondContact O-N 2.88Å; C224-R229 PolarHBondContact N-O 3.13Å; C224-I231 HydrophobicContact CB-CD1 3.91Å; C224-I231 HydrophobicContact CB-CG1 3.81Å; C224-T242 CarbonylContact C-O 3.59Å; C224-T242 WeakPolarHBondContact CA-O 3.47Å; C224-H244 WeakPolarHBondContact CB-ND1 3.5Å; C224-H244 PolarHBondContact SG-N 3.42Å; C224-H247 PolarHBondContact SG-ND1 2.89Å
225	G	88.2	Confident	85.4	Confident	29 Å²	29	81.5 Å²	81.5	30%	0.299	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.1	179.3	0	0	0	0	0	115.3	I223 T242	I223-G225 PolarHBondContact O-N 2.88Å; G225-T242 PolarHBondContact N-O 3.22Å
226	A	89.4	Confident	85.8	Confident	54 Å²	54	82.5 Å²	82.5	45%	0.446	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-64	176.3	0	0	0	0	0	112.2	C224 W243 H247	C224-A226 PolarHBondContact O-N 3.26Å; C224-A226 VanDerWaalsContact O-N 3.13Å; C224-A226 PolarHBondContact SG-N 2.78Å; A226-W243 HydrophobicContact CB-CE3 4.07Å; A226-W243 HydrophobicContact CB-CZ3 4.03Å; A226-H247 HydrophobicContact CB-CB 3.83Å
227	C	89.3	Confident	85.9	Confident	43 Å²	43	86.5 Å²	86.5	29%	0.291	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-8	-173.6	69.9	0	0	0	0	114.5	R229 H244 H247	C227-R229 PolarHBondContact O-N 2.98Å; C227-H244 PolarHBondContact SG-CE1 2.91Å; C227-H244 PolarHBondContact SG-ND1 3.31Å; C227-H244 VanDerWaalsContact SG-ND1 3.42Å; C227-H247 VanDerWaalsContact CB-CE1 3.5Å; C227-H247 WeakPolarHBondContact CB-CE1 3.44Å; C227-H247 PolarHBondContact SG-CE1 3.38Å; C227-H247 PolarHBondContact SG-ND1 3.46Å
228	R	84.4	Confident	86.4	Confident	210 Å²	210	82.8 Å²	82.8	79%	0.792	42%	0.419	S	S	*	.			trans	58.6	25.5	-178.1	-53.7	177.3	-177.7	-101.1	2.4	114.3	C224	C224-R228 WeakPolarHBondContact O-CA 3.41Å; C224-R228 PolarHBondContact O-N 2.88Å
229	R	81.9	Confident	87	Confident	175 Å²	175	79.3 Å²	79.3	66%	0.66	41%	0.405	S	S	*	.			trans	-103.8	154.5	175	-61.8	-177.6	-178.5	169.5	-0.4	111.3	C224 C227	C224-R229 PolarHBondContact N-O 3.13Å; C227-R229 PolarHBondContact O-N 2.98Å
230	P	83.6	Confident	87.4	Confident	32 Å²	32	80.5 Å²	80.5	21%	0.208	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-59.5	140.6	173.2	-18.3	30.8	0	0	0	111.8	K218 I221 I223 H244	K218-P230 HydrophobicContact CD-CG 4.24Å; K218-P230 HydrophobicContact CG-CG 4.27Å; I221-P230 HydrophobicContact CB-CB 4.1Å; I221-P230 HydrophobicContact CD1-CB 4.46Å; I221-P230 HydrophobicContact CG2-CB 3.52Å; I223-P230 HydrophobicContact CD1-CB 4.11Å; I223-P230 HydrophobicContact CD1-CG 3.99Å; P230-H244 PolarHBondContact O-NE2 3.48Å
231	I	86.6	Confident	88.1	Confident	4 Å²	4	82.7 Å²	82.7	2%	0.021	42%	0.423	C	S	.	.			trans	-100.5	102.7	174.8	-55	162.1	0	0	0	107.1	I221 P222 C224 V235	I221-I231 VanDerWaalsContact CG2-O 3.25Å; I221-I231 WeakPolarHBondContact CG2-O 3.21Å; P222-I231 HydrophobicContact CB-CD1 4.36Å; P222-I231 HydrophobicContact CG-CB 4.23Å; P222-I231 WeakPolarHBondContact O-CB 3.34Å; P222-I231 WeakPolarHBondContact O-CG1 3.25Å; P222-I231 PolarHBondContact O-N 3.29Å; C224-I231 HydrophobicContact CB-CD1 3.91Å; C224-I231 HydrophobicContact CB-CG1 3.81Å; I231-V235 HydrophobicContact CD1-CG2 3.95Å; I231-V235 HydrophobicContact CG2-CB 4.14Å
232	E	83.5	Confident	88.8	Confident	169 Å²	169	81.7 Å²	81.7	79%	0.79	42%	0.42	S	S	*	.			trans	-86.7	-20.1	179.8	-64.6	175.7	-174.2	0	0	112.3
233	E	83.4	Confident	89.2	Confident	170 Å²	170	81 Å²	81	79%	0.794	41%	0.411	S	S	*	.	S	Bend	trans	-105	-145.6	-178.3	-57.3	-171.2	172.8	0	0	112.4	V235	E233-V235 PolarHBondContact O-N 3.18Å
234	R	90.6	Very high	89.7	Confident	192 Å²	192	78.8 Å²	78.8	73%	0.725	40%	0.399	S	S	*	.			trans	-60.6	130.6	177.6	-68.6	-175.4	-67	174	-1.5	110.7	V245	R234-V245 HydrophobicContact CB-CG2 3.8Å
235	V	92.4	Very high	89.9	Confident	50 Å²	50	80.1 Å²	80.1	30%	0.303	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.3	178.2	58.9	0	0	0	0	110.8	P222 I231 E233 H237 T242	P222-V235 HydrophobicContact CB-CG2 4.25Å; P222-V235 HydrophobicContact CG-CB 4.44Å; P222-V235 HydrophobicContact CG-CG2 4.26Å; I231-V235 HydrophobicContact CD1-CG2 3.95Å; I231-V235 HydrophobicContact CG2-CB 4.14Å; E233-V235 PolarHBondContact O-N 3.18Å; V235-H237 WeakPolarHBondContact CG1-NE2 3.41Å; V235-T242 HydrophobicContact CG2-CG2 3.69Å
236	V	94.9	Very high	90.2	Very high	36 Å²	36	83.6 Å²	83.6	22%	0.218	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.6	167.2	178.9	0	0	0	0	108.8	A238 T242 W243 V245 F248	V236-A238 HydrophobicContact CG1-CB 4.26Å; V236-T242 CarbonylContact O-C 3.59Å; V236-T242 VanDerWaalsContact O-CA 3.31Å; V236-T242 WeakPolarHBondContact O-CA 3.45Å; V236-W243 HydrophobicContact CB-CB 4.26Å; V236-W243 PolarHBondContact N-O 3.5Å; V236-W243 PolarHBondContact O-N 3.44Å; V236-V245 HydrophobicContact CG2-CB 4.48Å; V236-V245 HydrophobicContact CG2-CG2 4.11Å; V236-F248 HydrophobicContact CB-CB 4.37Å; V236-F248 HydrophobicContact CG1-CB 4.16Å; V236-F248 HydrophobicContact CG1-CD1 3.67Å; V236-F248 HydrophobicContact CG1-CE1 4.22Å; V236-F248 HydrophobicContact CG1-CG 3.88Å
237	H	94.2	Very high	90.4	Very high	144 Å²	144	83.9 Å²	83.9	67%	0.667	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	108.5	172.6	-65.5	-86.9	0	0	0	109.5	V235 T242	V235-H237 WeakPolarHBondContact CG1-NE2 3.41Å; H237-T242 WeakPolarHBondContact ND1-CG2 3.33Å
238	A	93.8	Very high	90.8	Very high	12 Å²	12	82.3 Å²	82.3	10%	0.099	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	152.5	-179.2	0	0	0	0	0	111	V236 G240 K241 W243 F248	V236-A238 HydrophobicContact CG1-CB 4.26Å; A238-G240 PolarHBondContact O-N 3.09Å; A238-K241 PolarHBondContact N-O 3.42Å; A238-K241 PolarHBondContact O-N 2.89Å; A238-W243 PolarHBondContact O-NE1 3.18Å; A238-F248 HydrophobicContact CB-CD2 4.21Å; A238-F248 HydrophobicContact CB-CE1 3.94Å; A238-F248 HydrophobicContact CB-CE2 3.49Å; A238-F248 VanDerWaalsContact CB-CE2 3.49Å; A238-F248 HydrophobicContact CB-CZ 3.33Å
239	L	92.6	Very high	91.4	Very high	38 Å²	38	74.5 Å²	74.5	20%	0.199	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	33	177.4	-47.1	175.5	0	0	0	113.3	K241 W243 F248 E264 A269	L239-K241 PolarHBondContact O-N 2.79Å; L239-W243 HydrophobicContact CB-CZ2 4.4Å; L239-W243 HydrophobicContact CD1-CZ2 4.15Å; L239-F248 HydrophobicContact CD1-CE2 3.96Å; L239-F248 HydrophobicContact CG-CE2 4.19Å; L239-E264 HydrophobicContact CD2-CB 4.03Å; L239-E264 HydrophobicContact CD2-CG 3.46Å; L239-E264 VanDerWaalsContact CD2-CG 3.46Å; L239-E264 WeakPolarHBondContact CD2-OE2 3.42Å; L239-A269 HydrophobicContact CD1-CB 4.03Å
240	G	90.4	Very high	92	Very high	90 Å²	90	66.2 Å²	66.2	93%	0.928	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	14.8	-176.1	0	0	0	0	0	115.2	A238	A238-G240 PolarHBondContact O-N 3.09Å
241	K	91.9	Very high	92.6	Very high	119 Å²	119	67 Å²	67	52%	0.517	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	168.9	-177.9	-62.8	178.2	-173.7	175.8	0	111.2	A238 L239 W243	A238-K241 PolarHBondContact N-O 3.42Å; A238-K241 PolarHBondContact O-N 2.89Å; L239-K241 PolarHBondContact O-N 2.79Å; K241-W243 HydrophobicContact CB-CZ2 3.88Å; K241-W243 HydrophobicContact CD-CH2 4.2Å; K241-W243 HydrophobicContact CD-CZ2 3.86Å; K241-W243 HydrophobicContact CG-CZ2 4.43Å; K241-W243 PolarHBondContact O-NE1 3.3Å
242	T	94.2	Very high	92.9	Very high	27 Å²	27	74.7 Å²	74.7	17%	0.166	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	147.3	170.8	47.6	0	0	0	0	110.6	P222 I223 C224 G225 V235 V236 H237	P222-T242 HydrophobicContact CB-CG2 3.81Å; I223-T242 PolarHBondContact O-OG1 3.45Å; C224-T242 CarbonylContact C-O 3.59Å; C224-T242 WeakPolarHBondContact CA-O 3.47Å; G225-T242 PolarHBondContact N-O 3.22Å; V235-T242 HydrophobicContact CG2-CG2 3.69Å; V236-T242 CarbonylContact O-C 3.59Å; V236-T242 VanDerWaalsContact O-CA 3.31Å; V236-T242 WeakPolarHBondContact O-CA 3.45Å; H237-T242 WeakPolarHBondContact ND1-CG2 3.33Å
243	W	95.1	Very high	93.4	Very high	31 Å²	31	68.6 Å²	68.6	12%	0.117	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	147.9	-176	-46	81.7	0	0	0	110.9	A226 V236 A238 L239 K241 F248	A226-W243 HydrophobicContact CB-CE3 4.07Å; A226-W243 HydrophobicContact CB-CZ3 4.03Å; V236-W243 HydrophobicContact CB-CB 4.26Å; V236-W243 PolarHBondContact N-O 3.5Å; V236-W243 PolarHBondContact O-N 3.44Å; A238-W243 PolarHBondContact O-NE1 3.18Å; L239-W243 HydrophobicContact CB-CZ2 4.4Å; L239-W243 HydrophobicContact CD1-CZ2 4.15Å; K241-W243 HydrophobicContact CB-CZ2 3.88Å; K241-W243 HydrophobicContact CD-CH2 4.2Å; K241-W243 HydrophobicContact CD-CZ2 3.86Å; K241-W243 HydrophobicContact CG-CZ2 4.43Å; K241-W243 PolarHBondContact O-NE1 3.3Å; W243-F248 HydrophobicContact CB-CB 3.93Å; W243-F248 AromaticContact CD1-CD2 3.85Å; W243-F248 HydrophobicContact CD2-CD2 4.01Å; W243-F248 HydrophobicContact CG-CB 4.22Å; W243-F248 AromaticContact CG-CD2 3.9Å; W243-F248 HydrophobicContact CG-CD2 3.9Å; W243-F248 HydrophobicContact CG-CG 4.39Å; W243-F248 AromaticContact NE1-CD2 3.98Å
244	H	92.5	Very high	94	Very high	30 Å²	30	68 Å²	68	14%	0.139	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	149	158	-64.1	119	0	0	0	109.4	C224 C227 P230 E246 H247 F248	C224-H244 WeakPolarHBondContact CB-ND1 3.5Å; C224-H244 PolarHBondContact SG-N 3.42Å; C227-H244 PolarHBondContact SG-CE1 2.91Å; C227-H244 PolarHBondContact SG-ND1 3.31Å; C227-H244 VanDerWaalsContact SG-ND1 3.42Å; P230-H244 PolarHBondContact O-NE2 3.48Å; H244-E246 VanDerWaalsContact CB-CD 3.49Å; H244-E246 HydrophobicContact CB-CG 4.5Å; H244-E246 WeakPolarHBondContact CB-OE1 3.43Å; H244-E246 IonicContact CG-OE1 3.33Å; H244-E246 PolarHBondContact O-N 3.5Å; H244-H247 HydrophobicContact CB-CB 4.1Å; H244-H247 AromaticContact CG-ND1 3.84Å; H244-H247 AromaticContact ND1-CE1 3.51Å; H244-H247 AromaticContact ND1-ND1 3.18Å; H244-H247 PolarHBondContact ND1-ND1 2.93Å; H244-H247 VanDerWaalsContact ND1-ND1 3.18Å; H244-H247 PolarHBondContact O-N 2.87Å; H244-F248 PolarHBondContact O-N 3.05Å; H244-F248 VanDerWaalsContact O-N 3.11Å
245	V	94.7	Very high	94.2	Very high	28 Å²	28	65.9 Å²	65.9	17%	0.17	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-39.6	-177.3	178.5	0	0	0	0	111.4	R234 V236 L258	R234-V245 HydrophobicContact CB-CG2 3.8Å; V236-V245 HydrophobicContact CG2-CB 4.48Å; V236-V245 HydrophobicContact CG2-CG2 4.11Å; V245-L258 HydrophobicContact CG1-CD2 3.86Å
246	E	94.2	Very high	94.3	Very high	101 Å²	101	66 Å²	66	47%	0.472	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-19.2	178.4	70.8	-76.2	176.3	0	0	114.1	H244 V249	H244-E246 VanDerWaalsContact CB-CD 3.49Å; H244-E246 HydrophobicContact CB-CG 4.5Å; H244-E246 WeakPolarHBondContact CB-OE1 3.43Å; H244-E246 IonicContact CG-OE1 3.33Å; H244-E246 PolarHBondContact O-N 3.5Å; E246-V249 VanDerWaalsContact O-CG1 3.3Å; E246-V249 WeakPolarHBondContact O-CG1 3.44Å
247	H	94.7	Very high	94.3	Very high	60 Å²	60	64.8 Å²	64.8	28%	0.278	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-13.9	178.7	-69.6	164.3	0	0	0	113.5	C224 A226 C227 H244 V249	C224-H247 PolarHBondContact SG-ND1 2.89Å; A226-H247 HydrophobicContact CB-CB 3.83Å; C227-H247 VanDerWaalsContact CB-CE1 3.5Å; C227-H247 WeakPolarHBondContact CB-CE1 3.44Å; C227-H247 PolarHBondContact SG-CE1 3.38Å; C227-H247 PolarHBondContact SG-ND1 3.46Å; H244-H247 HydrophobicContact CB-CB 4.1Å; H244-H247 AromaticContact CG-ND1 3.84Å; H244-H247 AromaticContact ND1-CE1 3.51Å; H244-H247 AromaticContact ND1-ND1 3.18Å; H244-H247 PolarHBondContact ND1-ND1 2.93Å; H244-H247 VanDerWaalsContact ND1-ND1 3.18Å; H244-H247 PolarHBondContact O-N 2.87Å; H247-V249 PolarHBondContact O-N 3.46Å; H247-V249 VanDerWaalsContact O-N 3.1Å
248	F	96.7	Very high	94.2	Very high	10 Å²	10	63.9 Å²	63.9	4%	0.044	34%	0.34	C	S	.	.			trans	-81.1	91	171.4	-167.5	-121.4	0	0	0	109.6	V236 A238 L239 W243 H244 P256 F257 H262 A269	V236-F248 HydrophobicContact CB-CB 4.37Å; V236-F248 HydrophobicContact CG1-CB 4.16Å; V236-F248 HydrophobicContact CG1-CD1 3.67Å; V236-F248 HydrophobicContact CG1-CE1 4.22Å; V236-F248 HydrophobicContact CG1-CG 3.88Å; A238-F248 HydrophobicContact CB-CD2 4.21Å; A238-F248 HydrophobicContact CB-CE1 3.94Å; A238-F248 HydrophobicContact CB-CE2 3.49Å; A238-F248 VanDerWaalsContact CB-CE2 3.49Å; A238-F248 HydrophobicContact CB-CZ 3.33Å; L239-F248 HydrophobicContact CD1-CE2 3.96Å; L239-F248 HydrophobicContact CG-CE2 4.19Å; W243-F248 HydrophobicContact CB-CB 3.93Å; W243-F248 AromaticContact CD1-CD2 3.85Å; W243-F248 HydrophobicContact CD2-CD2 4.01Å; W243-F248 HydrophobicContact CG-CB 4.22Å; W243-F248 AromaticContact CG-CD2 3.9Å; W243-F248 HydrophobicContact CG-CD2 3.9Å; W243-F248 HydrophobicContact CG-CG 4.39Å; W243-F248 AromaticContact NE1-CD2 3.98Å; H244-F248 PolarHBondContact O-N 3.05Å; H244-F248 VanDerWaalsContact O-N 3.11Å; F248-P256 WeakPolarHBondContact O-CA 3.42Å; F248-F257 HydrophobicContact CD1-CB 4.25Å; F248-F257 AromaticContact CD1-CD2 3.44Å; F248-F257 HydrophobicContact CD1-CD2 3.44Å; F248-F257 VanDerWaalsContact CD1-CD2 3.44Å; F248-F257 HydrophobicContact CD1-CE2 4.22Å; F248-F257 HydrophobicContact CD1-CG 4.24Å; F248-F257 AromaticContact CE1-CD2 3.5Å; F248-F257 HydrophobicContact CE1-CD2 3.5Å; F248-F257 AromaticContact CE1-CE2 3.99Å; F248-F257 HydrophobicContact CE1-CE2 3.99Å; F248-F257 HydrophobicContact CE1-CG 4.3Å; F248-F257 HydrophobicContact CG-CD2 4.06Å; F248-F257 HydrophobicContact CZ-CD2 4.16Å; F248-F257 HydrophobicContact CZ-CE2 4.2Å; F248-F257 WeakPolarHBondContact O-CD2 3.31Å; F248-F257 PolarHBondContact O-N 2.98Å; F248-H262 HydrophobicContact CE1-CB 4.45Å; F248-H262 AromaticContact CE1-CD2 3.94Å; F248-H262 AromaticContact CE1-CE1 3.7Å; F248-H262 AromaticContact CE1-CG 3.78Å; F248-H262 AromaticContact CE1-ND1 3.63Å; F248-H262 AromaticContact CE1-NE2 3.88Å; F248-H262 AromaticContact CZ-CD2 3.64Å; F248-H262 AromaticContact CZ-CE1 3.96Å; F248-H262 AromaticContact CZ-CG 3.94Å; F248-H262 AromaticContact CZ-NE2 3.65Å; F248-A269 HydrophobicContact CE2-CB 3.9Å; F248-A269 HydrophobicContact CZ-CB 3.73Å
249	V	96.5	Very high	93.9	Very high	46 Å²	46	67.3 Å²	67.3	28%	0.279	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-118.8	158.7	-169.9	-57.1	0	0	0	0	112.5	E246 H247 A251 E254 K255 P256 F257	E246-V249 VanDerWaalsContact O-CG1 3.3Å; E246-V249 WeakPolarHBondContact O-CG1 3.44Å; H247-V249 PolarHBondContact O-N 3.46Å; H247-V249 VanDerWaalsContact O-N 3.1Å; V249-A251 PolarHBondContact O-N 3.28Å; V249-E254 WeakPolarHBondContact CB-O 3.46Å; V249-E254 VanDerWaalsContact CG1-O 3.29Å; V249-E254 WeakPolarHBondContact CG1-O 3.47Å; V249-K255 WeakPolarHBondContact CA-O 3.42Å; V249-P256 HydrophobicContact CG1-CB 4.13Å; V249-F257 VanDerWaalsContact O-CE2 3.31Å; V249-F257 WeakPolarHBondContact O-CE2 3.26Å
250	C	96.4	Very high	93.8	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.007	39%	0.39	C	S	.	.			trans	-65.4	127.3	169.4	172.9	0	0	0	0	110.7	R252 C253 E254 K255 F257 A269 C271 H274	C250-R252 PolarHBondContact O-N 2.84Å; C250-R252 PolarHBondContact SG-N 3.47Å; C250-R252 VanDerWaalsContact SG-N 3.44Å; C250-C253 VanDerWaalsContact CB-SG 3.59Å; C250-C253 PolarHBondContact O-N 3.42Å; C250-E254 VanDerWaalsContact O-CA 3.27Å; C250-E254 WeakPolarHBondContact O-CA 3.41Å; C250-E254 PolarHBondContact O-N 2.96Å; C250-K255 PolarHBondContact N-O 3.14Å; C250-F257 HydrophobicContact CB-CE1 4.16Å; C250-F257 HydrophobicContact CB-CZ 3.83Å; C250-A269 CarbonylContact C-O 3.51Å; C250-A269 WeakPolarHBondContact CA-O 3.49Å; C250-C271 HydrophobicContact CB-CB 4.2Å; C250-C271 PolarHBondContact SG-N 3.12Å; C250-H274 PolarHBondContact SG-ND1 3.02Å; C250-H274 VanDerWaalsContact SG-ND1 3.45Å
251	A	95.5	Very high	93.9	Very high	50 Å²	50	73.3 Å²	73.3	41%	0.413	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-10.3	180	0	0	0	0	0	115	V249 L268 A269 Y270	V249-A251 PolarHBondContact O-N 3.28Å; A251-L268 HydrophobicContact CB-CB 4.06Å; A251-L268 HydrophobicContact CB-CD1 4.45Å; A251-L268 HydrophobicContact CB-CD2 4.37Å; A251-A269 WeakPolarHBondContact CB-O 3.46Å; A251-A269 PolarHBondContact N-O 3.33Å; A251-Y270 HydrophobicContact CB-CD1 4.38Å; A251-Y270 HydrophobicContact CB-CE1 4.01Å
252	R	92.7	Very high	94.1	Very high	164 Å²	164	71 Å²	71	62%	0.619	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-40.5	180	-178.1	57.1	164.5	-170.4	-3.7	113.9	C250 Y270 H274 L278	C250-R252 PolarHBondContact O-N 2.84Å; C250-R252 PolarHBondContact SG-N 3.47Å; C250-R252 VanDerWaalsContact SG-N 3.44Å; R252-Y270 HydrophobicContact CB-CD1 4.3Å; R252-H274 HydrophobicContact CB-CB 3.79Å; R252-H274 HydrophobicContact CG-CB 4.01Å; R252-H274 VanDerWaalsContact CG-CD2 3.41Å; R252-H274 WeakPolarHBondContact CG-CD2 3.39Å; R252-H274 VanDerWaalsContact CG-CG 3.5Å; R252-L278 HydrophobicContact CB-CD1 4.43Å; R252-L278 HydrophobicContact CG-CD1 4.46Å
253	C	94.8	Very high	94.1	Very high	42 Å²	42	72.3 Å²	72.3	28%	0.284	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-0.8	-178.2	62.4	0	0	0	0	114.9	C250 K255 H274	C250-C253 VanDerWaalsContact CB-SG 3.59Å; C250-C253 PolarHBondContact O-N 3.42Å; C253-K255 HydrophobicContact CB-CG 4.44Å; C253-K255 PolarHBondContact O-N 3.45Å; C253-H274 WeakPolarHBondContact CB-CE1 3.46Å; C253-H274 PolarHBondContact SG-CE1 3.11Å; C253-H274 PolarHBondContact SG-ND1 3.25Å; C253-H274 VanDerWaalsContact SG-ND1 3.42Å
254	E	95.4	Very high	94	Very high	156 Å²	156	76.1 Å²	76.1	73%	0.729	39%	0.392	S	S	*	.			trans	59.8	11.2	176.6	-55.5	179.6	174.7	0	0	114.5	V249 C250	V249-E254 WeakPolarHBondContact CB-O 3.46Å; V249-E254 VanDerWaalsContact CG1-O 3.29Å; V249-E254 WeakPolarHBondContact CG1-O 3.47Å; C250-E254 VanDerWaalsContact O-CA 3.27Å; C250-E254 WeakPolarHBondContact O-CA 3.41Å; C250-E254 PolarHBondContact O-N 2.96Å
255	K	94	Very high	94	Very high	149 Å²	149	78.8 Å²	78.8	65%	0.648	40%	0.403	S	S	*	.			trans	-73.9	131.3	173.8	-65.2	-173.5	-179	-177.5	0	109.8	V249 C250 C253	V249-K255 WeakPolarHBondContact CA-O 3.42Å; C250-K255 PolarHBondContact N-O 3.14Å; C253-K255 HydrophobicContact CB-CG 4.44Å; C253-K255 PolarHBondContact O-N 3.45Å
256	P	95	Very high	93.8	Very high	53 Å²	53	86.9 Å²	86.9	34%	0.344	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-65.7	143.8	176.6	27.1	-33.9	0	0	0	110.8	F248 V249 L258	F248-P256 WeakPolarHBondContact O-CA 3.42Å; V249-P256 HydrophobicContact CG1-CB 4.13Å; P256-L258 HydrophobicContact CB-CD2 3.9Å; P256-L258 HydrophobicContact CB-CG 3.97Å; P256-L258 HydrophobicContact CG-CD1 4.28Å; P256-L258 HydrophobicContact CG-CD2 4.15Å; P256-L258 HydrophobicContact CG-CG 4.03Å
257	F	95.7	Very high	93.7	Very high	10 Å²	10	84.1 Å²	84.1	4%	0.044	43%	0.434	C	S	.	.			trans	-73.1	-32.7	179.7	-68.4	-69.2	0	0	0	112.2	F248 V249 C250 G259 S260 H262 A269 C271	F248-F257 HydrophobicContact CD1-CB 4.25Å; F248-F257 AromaticContact CD1-CD2 3.44Å; F248-F257 HydrophobicContact CD1-CD2 3.44Å; F248-F257 VanDerWaalsContact CD1-CD2 3.44Å; F248-F257 HydrophobicContact CD1-CE2 4.22Å; F248-F257 HydrophobicContact CD1-CG 4.24Å; F248-F257 AromaticContact CE1-CD2 3.5Å; F248-F257 HydrophobicContact CE1-CD2 3.5Å; F248-F257 AromaticContact CE1-CE2 3.99Å; F248-F257 HydrophobicContact CE1-CE2 3.99Å; F248-F257 HydrophobicContact CE1-CG 4.3Å; F248-F257 HydrophobicContact CG-CD2 4.06Å; F248-F257 HydrophobicContact CZ-CD2 4.16Å; F248-F257 HydrophobicContact CZ-CE2 4.2Å; F248-F257 WeakPolarHBondContact O-CD2 3.31Å; F248-F257 PolarHBondContact O-N 2.98Å; V249-F257 VanDerWaalsContact O-CE2 3.31Å; V249-F257 WeakPolarHBondContact O-CE2 3.26Å; C250-F257 HydrophobicContact CB-CE1 4.16Å; C250-F257 HydrophobicContact CB-CZ 3.83Å; F257-G259 PolarHBondContact O-N 3.44Å; F257-S260 WeakPolarHBondContact CA-OG 3.27Å; F257-S260 VanDerWaalsContact O-CB 3.22Å; F257-S260 WeakPolarHBondContact O-CB 3.2Å; F257-S260 PolarHBondContact O-N 2.95Å; F257-S260 PolarHBondContact O-OG 3.45Å; F257-H262 HydrophobicContact CD1-CB 3.71Å; F257-H262 HydrophobicContact CD2-CB 4.07Å; F257-H262 HydrophobicContact CE1-CB 3.43Å; F257-H262 VanDerWaalsContact CE1-CB 3.43Å; F257-H262 HydrophobicContact CE2-CB 3.81Å; F257-H262 HydrophobicContact CG-CB 4.02Å; F257-H262 HydrophobicContact CZ-CB 3.48Å; F257-H262 VanDerWaalsContact CZ-CB 3.48Å; F257-A269 HydrophobicContact CE2-CB 3.65Å; F257-A269 HydrophobicContact CZ-CB 3.94Å; F257-C271 HydrophobicContact CE1-CB 4.02Å
258	L	92.2	Very high	93.7	Very high	124 Å²	124	85.2 Å²	85.2	65%	0.649	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	35.4	178.9	-54.2	-179.7	0	0	0	113.5	V245 P256	V245-L258 HydrophobicContact CG1-CD2 3.86Å; P256-L258 HydrophobicContact CB-CD2 3.9Å; P256-L258 HydrophobicContact CB-CG 3.97Å; P256-L258 HydrophobicContact CG-CD1 4.28Å; P256-L258 HydrophobicContact CG-CD2 4.15Å; P256-L258 HydrophobicContact CG-CG 4.03Å
259	G	87.6	Confident	93.7	Very high	84 Å²	84	85 Å²	85	87%	0.866	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-5.3	-177.1	0	0	0	0	0	115.6	F257	F257-G259 PolarHBondContact O-N 3.44Å
260	S	90.2	Very high	93.7	Very high	67 Å²	67	84 Å²	84	47%	0.469	43%	0.432	S	S	.	.			trans	-66.8	157.9	170.4	66.9	0	0	0	0	112.2	F257 H262	F257-S260 WeakPolarHBondContact CA-OG 3.27Å; F257-S260 VanDerWaalsContact O-CB 3.22Å; F257-S260 WeakPolarHBondContact O-CB 3.2Å; F257-S260 PolarHBondContact O-N 2.95Å; F257-S260 PolarHBondContact O-OG 3.45Å; S260-H262 PolarHBondContact O-N 3.26Å
261	R	92.7	Very high	93.5	Very high	187 Å²	187	85.4 Å²	85.4	71%	0.706	44%	0.442	S	S	*	.			trans	-62.7	136.7	178.3	-172.9	177.7	-77.6	-159.4	-3.4	110.3	Y263	R261-Y263 WeakPolarHBondContact CD-OH 3.29Å; R261-Y263 HydrophobicContact CG-CE2 4.13Å
262	H	94.9	Very high	93.3	Very high	72 Å²	72	88 Å²	88	33%	0.333	45%	0.446	S	S	.	.			trans	-124.6	160	173.1	63.9	-81.6	0	0	0	109.7	F248 F257 S260 A269 Y270	F248-H262 HydrophobicContact CE1-CB 4.45Å; F248-H262 AromaticContact CE1-CD2 3.94Å; F248-H262 AromaticContact CE1-CE1 3.7Å; F248-H262 AromaticContact CE1-CG 3.78Å; F248-H262 AromaticContact CE1-ND1 3.63Å; F248-H262 AromaticContact CE1-NE2 3.88Å; F248-H262 AromaticContact CZ-CD2 3.64Å; F248-H262 AromaticContact CZ-CE1 3.96Å; F248-H262 AromaticContact CZ-CG 3.94Å; F248-H262 AromaticContact CZ-NE2 3.65Å; F257-H262 HydrophobicContact CD1-CB 3.71Å; F257-H262 HydrophobicContact CD2-CB 4.07Å; F257-H262 HydrophobicContact CE1-CB 3.43Å; F257-H262 VanDerWaalsContact CE1-CB 3.43Å; F257-H262 HydrophobicContact CE2-CB 3.81Å; F257-H262 HydrophobicContact CG-CB 4.02Å; F257-H262 HydrophobicContact CZ-CB 3.48Å; F257-H262 VanDerWaalsContact CZ-CB 3.48Å; S260-H262 PolarHBondContact O-N 3.26Å; H262-A269 HydrophobicContact CB-CB 4.42Å; H262-Y270 WeakPolarHBondContact CA-O 3.45Å
263	Y	94	Very high	93.1	Very high	53 Å²	53	85.5 Å²	85.5	21%	0.208	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.8	-179.3	-63.3	-93.1	0	0	0	109.6	R261 A269 Y270 E272 Y275	R261-Y263 WeakPolarHBondContact CD-OH 3.29Å; R261-Y263 HydrophobicContact CG-CE2 4.13Å; Y263-A269 CarbonylContact O-C 3.6Å; Y263-Y270 PolarHBondContact N-O 2.81Å; Y263-Y270 PolarHBondContact O-N 2.85Å; Y263-E272 HydrophobicContact CD2-CB 4.27Å; Y263-E272 HydrophobicContact CE2-CB 3.6Å; Y263-E272 HydrophobicContact CE2-CG 3.82Å; Y263-E272 PolarHBondContact OH-OE1 2.8Å; Y263-Y275 HydrophobicContact CD1-CD1 4.48Å; Y263-Y275 HydrophobicContact CG-CD1 4.34Å; Y263-Y275 HydrophobicContact CG-CD2 4.31Å; Y263-Y275 HydrophobicContact CG-CG 4.03Å
264	E	94.4	Very high	92.9	Very high	112 Å²	112	85.1 Å²	85.1	52%	0.523	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133.6	-177.3	-179.6	177.6	169.7	0	0	112	L239 L268	L239-E264 HydrophobicContact CD2-CB 4.03Å; L239-E264 HydrophobicContact CD2-CG 3.46Å; L239-E264 VanDerWaalsContact CD2-CG 3.46Å; L239-E264 WeakPolarHBondContact CD2-OE2 3.42Å; E264-L268 CarbonylContact C-O 3.6Å; E264-L268 WeakPolarHBondContact CA-O 3.41Å
265	K	91.9	Very high	92.7	Very high	85 Å²	85	80.2 Å²	80.2	37%	0.37	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	125.6	167.7	-163.1	73.4	173.6	-172.5	0	110.2	G267 L268 Y270 Y275 F279	K265-G267 VanDerWaalsContact C-N 3.26Å; K265-G267 PolarHBondContact O-N 2.81Å; K265-L268 PolarHBondContact N-O 3.44Å; K265-L268 PolarHBondContact O-N 3.41Å; K265-L268 VanDerWaalsContact O-N 3.09Å; K265-Y270 HydrophobicContact CB-CD2 4.33Å; K265-Y270 HydrophobicContact CB-CE2 3.96Å; K265-Y275 HydrophobicContact CB-CE2 4.02Å; K265-Y275 HydrophobicContact CD-CE2 4.44Å; K265-F279 HydrophobicContact CB-CD2 4.23Å; K265-F279 HydrophobicContact CB-CE2 3.79Å; K265-F279 HydrophobicContact CB-CZ 4.02Å; K265-F279 HydrophobicContact CG-CD1 4.24Å; K265-F279 HydrophobicContact CG-CD2 4.21Å; K265-F279 HydrophobicContact CG-CE1 3.99Å; K265-F279 HydrophobicContact CG-CE2 3.97Å; K265-F279 HydrophobicContact CG-CG 4.34Å; K265-F279 HydrophobicContact CG-CZ 3.85Å
266	K	91.2	Very high	92.4	Very high	199 Å²	199	76 Å²	76	87%	0.865	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	41.8	179	-61.7	179.5	177.1	-177.7	0	112.8	L268	K266-L268 VanDerWaalsContact C-N 3.3Å; K266-L268 PolarHBondContact O-N 3.4Å
267	G	91.7	Very high	91.7	Very high	42 Å²	42	78.4 Å²	78.4	43%	0.433	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	15.3	179.6	0	0	0	0	0	115.4	K265	K265-G267 VanDerWaalsContact C-N 3.26Å; K265-G267 PolarHBondContact O-N 2.81Å
268	L	94.5	Very high	91.2	Very high	84 Å²	84	81.4 Å²	81.4	44%	0.44	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	142	176	-64.1	174.2	0	0	0	110.4	A251 E264 K265 K266 Y270	A251-L268 HydrophobicContact CB-CB 4.06Å; A251-L268 HydrophobicContact CB-CD1 4.45Å; A251-L268 HydrophobicContact CB-CD2 4.37Å; E264-L268 CarbonylContact C-O 3.6Å; E264-L268 WeakPolarHBondContact CA-O 3.41Å; K265-L268 PolarHBondContact N-O 3.44Å; K265-L268 PolarHBondContact O-N 3.41Å; K265-L268 VanDerWaalsContact O-N 3.09Å; K266-L268 VanDerWaalsContact C-N 3.3Å; K266-L268 PolarHBondContact O-N 3.4Å; L268-Y270 HydrophobicContact CB-CE2 3.67Å; L268-Y270 WeakPolarHBondContact CD1-OH 3.45Å
269	A	96.5	Very high	90.9	Very high	4 Å²	4	78.9 Å²	78.9	3%	0.033	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.8	176.3	0	0	0	0	0	111.3	L239 F248 C250 A251 F257 H262 Y263	L239-A269 HydrophobicContact CD1-CB 4.03Å; F248-A269 HydrophobicContact CE2-CB 3.9Å; F248-A269 HydrophobicContact CZ-CB 3.73Å; C250-A269 CarbonylContact C-O 3.51Å; C250-A269 WeakPolarHBondContact CA-O 3.49Å; A251-A269 WeakPolarHBondContact CB-O 3.46Å; A251-A269 PolarHBondContact N-O 3.33Å; F257-A269 HydrophobicContact CE2-CB 3.65Å; F257-A269 HydrophobicContact CZ-CB 3.94Å; H262-A269 HydrophobicContact CB-CB 4.42Å; Y263-A269 CarbonylContact O-C 3.6Å
270	Y	95.9	Very high	90.6	Very high	25 Å²	25	75.7 Å²	75.7	10%	0.098	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.2	177.9	-60.3	-91	0	0	0	110.2	A251 R252 H262 Y263 K265 L268 H274 Y275 L278 F279	A251-Y270 HydrophobicContact CB-CD1 4.38Å; A251-Y270 HydrophobicContact CB-CE1 4.01Å; R252-Y270 HydrophobicContact CB-CD1 4.3Å; H262-Y270 WeakPolarHBondContact CA-O 3.45Å; Y263-Y270 PolarHBondContact N-O 2.81Å; Y263-Y270 PolarHBondContact O-N 2.85Å; K265-Y270 HydrophobicContact CB-CD2 4.33Å; K265-Y270 HydrophobicContact CB-CE2 3.96Å; L268-Y270 HydrophobicContact CB-CE2 3.67Å; L268-Y270 WeakPolarHBondContact CD1-OH 3.45Å; Y270-H274 HydrophobicContact CD1-CB 4.38Å; Y270-Y275 HydrophobicContact CD2-CD2 4.32Å; Y270-L278 HydrophobicContact CD1-CD1 3.69Å; Y270-L278 HydrophobicContact CE1-CD1 3.43Å; Y270-L278 VanDerWaalsContact CE1-CD1 3.43Å; Y270-F279 HydrophobicContact CD1-CE2 4.4Å; Y270-F279 AromaticContact CD2-CE2 3.84Å; Y270-F279 HydrophobicContact CD2-CE2 3.84Å; Y270-F279 HydrophobicContact CE1-CE2 4.19Å; Y270-F279 HydrophobicContact CE1-CZ 4.45Å; Y270-F279 AromaticContact CE2-CE2 3.62Å; Y270-F279 HydrophobicContact CE2-CE2 3.62Å; Y270-F279 AromaticContact CE2-CZ 3.98Å; Y270-F279 HydrophobicContact CE2-CZ 3.98Å; Y270-F279 HydrophobicContact CG-CE2 4.23Å; Y270-F279 AromaticContact CZ-CE2 3.8Å; Y270-F279 AromaticContact CZ-CZ 3.87Å
271	C	93.8	Very high	90.2	Very high	31 Å²	31	76.6 Å²	76.6	21%	0.209	37%	0.37	C	S	.	.			trans	-69.3	160.2	163.9	73	0	0	0	0	109.6	C250 F257 L273 H274 Y275	C250-C271 HydrophobicContact CB-CB 4.2Å; C250-C271 PolarHBondContact SG-N 3.12Å; F257-C271 HydrophobicContact CE1-CB 4.02Å; C271-L273 VanDerWaalsContact C-N 3.29Å; C271-L273 PolarHBondContact O-N 2.98Å; C271-H274 PolarHBondContact O-N 2.97Å; C271-H274 VanDerWaalsContact O-N 3.13Å; C271-H274 PolarHBondContact SG-ND1 3.38Å; C271-Y275 WeakPolarHBondContact O-CB 3.31Å; C271-Y275 PolarHBondContact O-N 3.29Å
272	E	90.2	Very high	89.8	Confident	106 Å²	106	71.8 Å²	71.8	50%	0.495	36%	0.358	S	S	.	.	H	α-helix	trans	-48.3	-51	-179	-171.6	153.9	-130.2	0	0	112.7	Y263 H274 Y275 Q276	Y263-E272 HydrophobicContact CD2-CB 4.27Å; Y263-E272 HydrophobicContact CE2-CB 3.6Å; Y263-E272 HydrophobicContact CE2-CG 3.82Å; Y263-E272 PolarHBondContact OH-OE1 2.8Å; E272-H274 PolarHBondContact O-N 3.11Å; E272-Y275 PolarHBondContact O-N 3.09Å; E272-Q276 HydrophobicContact CG-CG 4.5Å; E272-Q276 WeakPolarHBondContact O-CB 3.3Å; E272-Q276 VanDerWaalsContact O-CG 3.23Å; E272-Q276 WeakPolarHBondContact O-CG 3.19Å; E272-Q276 PolarHBondContact O-N 2.95Å
273	L	88.5	Confident	89.5	Confident	110 Å²	110	68.4 Å²	68.4	58%	0.576	34%	0.342	S	S	*	.	H	α-helix	trans	-56	-51.2	179.5	178.4	64.7	0	0	0	112	C271 Q276 L277	C271-L273 VanDerWaalsContact C-N 3.29Å; C271-L273 PolarHBondContact O-N 2.98Å; L273-Q276 PolarHBondContact O-N 3.1Å; L273-L277 HydrophobicContact CD1-CD1 3.95Å; L273-L277 HydrophobicContact CD1-CG 4.29Å; L273-L277 HydrophobicContact CG-CD1 3.93Å; L273-L277 WeakPolarHBondContact O-CB 3.19Å; L273-L277 VanDerWaalsContact O-CG 3.26Å; L273-L277 WeakPolarHBondContact O-CG 3.45Å; L273-L277 PolarHBondContact O-N 3.05Å
274	H	90.9	Very high	89.3	Confident	34 Å²	34	70 Å²	70	16%	0.157	35%	0.348	C	S	.	.	H	α-helix	trans	-72.6	-33.1	-177.7	-68.1	124.5	0	0	0	112.9	C250 R252 C253 Y270 C271 E272 Q276 L277 L278	C250-H274 PolarHBondContact SG-ND1 3.02Å; C250-H274 VanDerWaalsContact SG-ND1 3.45Å; R252-H274 HydrophobicContact CB-CB 3.79Å; R252-H274 HydrophobicContact CG-CB 4.01Å; R252-H274 VanDerWaalsContact CG-CD2 3.41Å; R252-H274 WeakPolarHBondContact CG-CD2 3.39Å; R252-H274 VanDerWaalsContact CG-CG 3.5Å; C253-H274 WeakPolarHBondContact CB-CE1 3.46Å; C253-H274 PolarHBondContact SG-CE1 3.11Å; C253-H274 PolarHBondContact SG-ND1 3.25Å; C253-H274 VanDerWaalsContact SG-ND1 3.42Å; Y270-H274 HydrophobicContact CD1-CB 4.38Å; C271-H274 PolarHBondContact O-N 2.97Å; C271-H274 VanDerWaalsContact O-N 3.13Å; C271-H274 PolarHBondContact SG-ND1 3.38Å; E272-H274 PolarHBondContact O-N 3.11Å; H274-Q276 VanDerWaalsContact C-N 3.32Å; H274-L277 PolarHBondContact O-N 3Å; H274-L278 VanDerWaalsContact O-CB 3.26Å; H274-L278 WeakPolarHBondContact O-CB 3.49Å; H274-L278 WeakPolarHBondContact O-CD1 3.49Å; H274-L278 WeakPolarHBondContact O-CG 3.48Å; H274-L278 PolarHBondContact O-N 3.19Å
275	Y	91.8	Very high	89.1	Confident	53 Å²	53	67.9 Å²	67.9	21%	0.208	35%	0.346	C	S	.	.	H	α-helix	trans	-61.6	-46.3	173.9	-172.2	-89.7	0	0	0	110.5	Y263 K265 Y270 C271 E272 L278 F279 G280	Y263-Y275 HydrophobicContact CD1-CD1 4.48Å; Y263-Y275 HydrophobicContact CG-CD1 4.34Å; Y263-Y275 HydrophobicContact CG-CD2 4.31Å; Y263-Y275 HydrophobicContact CG-CG 4.03Å; K265-Y275 HydrophobicContact CB-CE2 4.02Å; K265-Y275 HydrophobicContact CD-CE2 4.44Å; Y270-Y275 HydrophobicContact CD2-CD2 4.32Å; C271-Y275 WeakPolarHBondContact O-CB 3.31Å; C271-Y275 PolarHBondContact O-N 3.29Å; E272-Y275 PolarHBondContact O-N 3.09Å; Y275-L278 PolarHBondContact O-N 3.1Å; Y275-F279 AromaticContact CD2-CD2 3.65Å; Y275-F279 HydrophobicContact CD2-CD2 3.65Å; Y275-F279 HydrophobicContact CD2-CE2 4.19Å; Y275-F279 HydrophobicContact CE1-CB 4.41Å; Y275-F279 AromaticContact CE2-CD2 3.82Å; Y275-F279 HydrophobicContact CE2-CD2 3.82Å; Y275-F279 HydrophobicContact CE2-CE2 4.47Å; Y275-F279 HydrophobicContact CG-CD2 4.09Å; Y275-F279 WeakPolarHBondContact O-CA 3.46Å; Y275-F279 WeakPolarHBondContact O-CB 3.32Å; Y275-F279 WeakPolarHBondContact O-CD2 3.34Å; Y275-F279 PolarHBondContact O-N 3.33Å; Y275-G280 PolarHBondContact O-N 3.09Å
276	Q	86.2	Confident	89	Confident	62 Å²	62	65.7 Å²	65.7	29%	0.29	34%	0.341	S	S	.	.	H	α-helix	trans	-65.6	-41.8	178.2	-71.4	-61.8	2.6	0	0	112	E272 L273 H274 L278 G280 V289	E272-Q276 HydrophobicContact CG-CG 4.5Å; E272-Q276 WeakPolarHBondContact O-CB 3.3Å; E272-Q276 VanDerWaalsContact O-CG 3.23Å; E272-Q276 WeakPolarHBondContact O-CG 3.19Å; E272-Q276 PolarHBondContact O-N 2.95Å; L273-Q276 PolarHBondContact O-N 3.1Å; H274-Q276 VanDerWaalsContact C-N 3.32Å; Q276-L278 PolarHBondContact O-N 2.92Å; Q276-G280 WeakPolarHBondContact O-CA 3.48Å; Q276-G280 PolarHBondContact O-N 3.43Å; Q276-V289 HydrophobicContact CB-CB 4.12Å; Q276-V289 HydrophobicContact CB-CG1 3.7Å; Q276-V289 HydrophobicContact CB-CG2 4Å; Q276-V289 HydrophobicContact CG-CG1 4.18Å; Q276-V289 VanDerWaalsContact O-CG2 3.24Å; Q276-V289 WeakPolarHBondContact O-CG2 3.26Å
277	L	82	Confident	88.8	Confident	103 Å²	103	61.7 Å²	61.7	54%	0.539	33%	0.329	S	S	.	.	H	α-helix	trans	-67.5	-33.3	177.1	-72	171.6	0	0	0	113.7	L273 H274 V289	L273-L277 HydrophobicContact CD1-CD1 3.95Å; L273-L277 HydrophobicContact CD1-CG 4.29Å; L273-L277 HydrophobicContact CG-CD1 3.93Å; L273-L277 WeakPolarHBondContact O-CB 3.19Å; L273-L277 VanDerWaalsContact O-CG 3.26Å; L273-L277 WeakPolarHBondContact O-CG 3.45Å; L273-L277 PolarHBondContact O-N 3.05Å; H274-L277 PolarHBondContact O-N 3Å; L277-V289 HydrophobicContact CD2-CG2 4.33Å
278	L	85.2	Confident	88.4	Confident	73 Å²	73	65.7 Å²	65.7	38%	0.382	34%	0.337	S	S	.	.	H	α-helix	trans	-90.3	-32.6	-176.6	-67.9	170.3	0	0	0	113.2	R252 Y270 H274 Y275 Q276	R252-L278 HydrophobicContact CB-CD1 4.43Å; R252-L278 HydrophobicContact CG-CD1 4.46Å; Y270-L278 HydrophobicContact CD1-CD1 3.69Å; Y270-L278 HydrophobicContact CE1-CD1 3.43Å; Y270-L278 VanDerWaalsContact CE1-CD1 3.43Å; H274-L278 VanDerWaalsContact O-CB 3.26Å; H274-L278 WeakPolarHBondContact O-CB 3.49Å; H274-L278 WeakPolarHBondContact O-CD1 3.49Å; H274-L278 WeakPolarHBondContact O-CG 3.48Å; H274-L278 PolarHBondContact O-N 3.19Å; Y275-L278 PolarHBondContact O-N 3.1Å; Q276-L278 PolarHBondContact O-N 2.92Å
279	F	85.8	Confident	88	Confident	71 Å²	71	63 Å²	63	31%	0.311	32%	0.324	S	S	.	.	H	α-helix	trans	-132.7	-6.2	-169.7	-47.2	-63	0	0	0	113.9	K265 Y270 Y275	K265-F279 HydrophobicContact CB-CD2 4.23Å; K265-F279 HydrophobicContact CB-CE2 3.79Å; K265-F279 HydrophobicContact CB-CZ 4.02Å; K265-F279 HydrophobicContact CG-CD1 4.24Å; K265-F279 HydrophobicContact CG-CD2 4.21Å; K265-F279 HydrophobicContact CG-CE1 3.99Å; K265-F279 HydrophobicContact CG-CE2 3.97Å; K265-F279 HydrophobicContact CG-CG 4.34Å; K265-F279 HydrophobicContact CG-CZ 3.85Å; Y270-F279 HydrophobicContact CD1-CE2 4.4Å; Y270-F279 AromaticContact CD2-CE2 3.84Å; Y270-F279 HydrophobicContact CD2-CE2 3.84Å; Y270-F279 HydrophobicContact CE1-CE2 4.19Å; Y270-F279 HydrophobicContact CE1-CZ 4.45Å; Y270-F279 AromaticContact CE2-CE2 3.62Å; Y270-F279 HydrophobicContact CE2-CE2 3.62Å; Y270-F279 AromaticContact CE2-CZ 3.98Å; Y270-F279 HydrophobicContact CE2-CZ 3.98Å; Y270-F279 HydrophobicContact CG-CE2 4.23Å; Y270-F279 AromaticContact CZ-CE2 3.8Å; Y270-F279 AromaticContact CZ-CZ 3.87Å; Y275-F279 AromaticContact CD2-CD2 3.65Å; Y275-F279 HydrophobicContact CD2-CD2 3.65Å; Y275-F279 HydrophobicContact CD2-CE2 4.19Å; Y275-F279 HydrophobicContact CE1-CB 4.41Å; Y275-F279 AromaticContact CE2-CD2 3.82Å; Y275-F279 HydrophobicContact CE2-CD2 3.82Å; Y275-F279 HydrophobicContact CE2-CE2 4.47Å; Y275-F279 HydrophobicContact CG-CD2 4.09Å; Y275-F279 WeakPolarHBondContact O-CA 3.46Å; Y275-F279 WeakPolarHBondContact O-CB 3.32Å; Y275-F279 WeakPolarHBondContact O-CD2 3.34Å; Y275-F279 PolarHBondContact O-N 3.33Å
280	G	80.1	Confident	87.5	Confident	16 Å²	16	63.3 Å²	63.3	17%	0.165	32%	0.324	C	S	.	.	S	Bend	trans	-75.2	163.5	176.5	0	0	0	0	0	112.1	Y275 Q276	Y275-G280 PolarHBondContact O-N 3.09Å; Q276-G280 WeakPolarHBondContact O-CA 3.48Å; Q276-G280 PolarHBondContact O-N 3.43Å
281	M	82.4	Confident	86.5	Confident	86 Å²	86	67.9 Å²	67.9	42%	0.424	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-88.3	124.6	174.9	-65.5	-65.3	98.4	0	0	109.4	V289 I290 A301	M281-V289 WeakPolarHBondContact O-CA 3.5Å; M281-I290 HydrophobicContact CB-CD1 4.35Å; M281-I290 PolarHBondContact O-N 3.09Å; M281-A301 HydrophobicContact CB-CB 4.15Å
282	L	83.7	Confident	85.7	Confident	86 Å²	86	69.3 Å²	69.3	45%	0.45	38%	0.377	S	S	.	.	B	Isolated β-bridge	trans	-84.9	132.9	176.6	-60.9	175.9	0	0	0	109.9	Y284 V289	L282-Y284 PolarHBondContact O-N 3.03Å; L282-V289 HydrophobicContact CD2-CB 4.44Å; L282-V289 HydrophobicContact CD2-CG2 3.66Å
283	C	89.9	Confident	85.4	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.007	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-67	123	168.7	177.7	0	0	0	0	109.1	S285 C286 N287 Q288 I290 A301 C303	C283-S285 PolarHBondContact O-N 2.91Å; C283-S285 VanDerWaalsContact O-N 3.12Å; C283-C286 WeakPolarHBondContact CB-SG 3.43Å; C283-C286 PolarHBondContact O-N 2.99Å; C283-C286 VanDerWaalsContact SG-SG 3.7Å; C283-N287 VanDerWaalsContact O-CA 3.26Å; C283-N287 WeakPolarHBondContact O-CA 3.24Å; C283-N287 PolarHBondContact O-N 3.35Å; C283-Q288 PolarHBondContact N-O 3.13Å; C283-I290 HydrophobicContact CB-CD1 4.19Å; C283-I290 HydrophobicContact CB-CG1 3.73Å; C283-A301 CarbonylContact C-O 3.51Å; C283-A301 WeakPolarHBondContact CA-O 3.37Å; C283-C303 HydrophobicContact CB-CB 4.4Å; C283-C303 PolarHBondContact SG-N 2.9Å; C283-C303 VanDerWaalsContact SG-N 3.38Å
284	Y	89.4	Confident	85.4	Confident	86 Å²	86	68.7 Å²	68.7	34%	0.337	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.3	179.6	-179.5	-102.2	0	0	0	113.7	L282 K300 A301 W302 K328	L282-Y284 PolarHBondContact O-N 3.03Å; Y284-K300 HydrophobicContact CD1-CD 3.85Å; Y284-K300 HydrophobicContact CD2-CB 4.5Å; Y284-K300 HydrophobicContact CD2-CD 3.63Å; Y284-K300 HydrophobicContact CD2-CG 3.94Å; Y284-K300 HydrophobicContact CE1-CD 3.9Å; Y284-K300 HydrophobicContact CE2-CD 3.73Å; Y284-K300 HydrophobicContact CE2-CG 4.36Å; Y284-K300 HydrophobicContact CG-CB 4.29Å; Y284-K300 HydrophobicContact CG-CD 3.67Å; Y284-K300 HydrophobicContact CG-CG 4.13Å; Y284-A301 PolarHBondContact N-O 3.25Å; Y284-W302 HydrophobicContact CD1-CE3 4.49Å; Y284-W302 AromaticContact CD1-CH2 3.29Å; Y284-W302 HydrophobicContact CD1-CH2 3.29Å; Y284-W302 AromaticContact CD1-CZ2 3.7Å; Y284-W302 HydrophobicContact CD1-CZ2 3.7Å; Y284-W302 AromaticContact CD1-CZ3 3.74Å; Y284-W302 HydrophobicContact CD1-CZ3 3.74Å; Y284-W302 AromaticContact CE1-CH2 3.91Å; Y284-W302 HydrophobicContact CE1-CH2 3.91Å; Y284-W302 HydrophobicContact CE1-CZ2 4.37Å; Y284-W302 HydrophobicContact CG-CH2 4.22Å; Y284-W302 HydrophobicContact CG-CZ2 4.29Å; Y284-K328 HydrophobicContact CE1-CG 4.49Å
285	S	89	Confident	85.4	Confident	69 Å²	69	67.9 Å²	67.9	48%	0.483	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-45.2	-178.4	-168.6	0	0	0	0	113.6	C283	C283-S285 PolarHBondContact O-N 2.91Å; C283-S285 VanDerWaalsContact O-N 3.12Å
286	C	90.6	Very high	85.3	Confident	39 Å²	39	72.6 Å²	72.6	26%	0.264	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-5.3	-174.6	66	0	0	0	0	114.1	C283 Q288 H306	C283-C286 WeakPolarHBondContact CB-SG 3.43Å; C283-C286 PolarHBondContact O-N 2.99Å; C283-C286 VanDerWaalsContact SG-SG 3.7Å; C286-Q288 HydrophobicContact CB-CG 4.31Å; C286-Q288 PolarHBondContact O-N 3.42Å; C286-Q288 PolarHBondContact O-NE2 2.83Å; C286-H306 WeakPolarHBondContact CB-CE1 3.09Å; C286-H306 PolarHBondContact SG-ND1 3.05Å
287	N	86	Confident	85.5	Confident	114 Å²	114	70.2 Å²	70.2	61%	0.61	38%	0.382	S	S	*	.			trans	52.2	22.4	-173.7	-74.6	-17.3	0	0	0	114.1	C283	C283-N287 VanDerWaalsContact O-CA 3.26Å; C283-N287 WeakPolarHBondContact O-CA 3.24Å; C283-N287 PolarHBondContact O-N 3.35Å
288	Q	85.1	Confident	85.8	Confident	127 Å²	127	67 Å²	67	59%	0.593	37%	0.365	S	S	*	.	S	Bend	trans	-98.2	150.7	172.4	-57.2	-53.9	-47	0	0	109.9	C283 C286 I290	C283-Q288 PolarHBondContact N-O 3.13Å; C286-Q288 HydrophobicContact CB-CG 4.31Å; C286-Q288 PolarHBondContact O-N 3.42Å; C286-Q288 PolarHBondContact O-NE2 2.83Å; Q288-I290 PolarHBondContact O-N 3.4Å
289	V	84.3	Confident	85.8	Confident	27 Å²	27	72 Å²	72	16%	0.164	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-63.8	131.6	173.1	-174.3	0	0	0	0	109	Q276 L277 M281 L282 P291	Q276-V289 HydrophobicContact CB-CB 4.12Å; Q276-V289 HydrophobicContact CB-CG1 3.7Å; Q276-V289 HydrophobicContact CB-CG2 4Å; Q276-V289 HydrophobicContact CG-CG1 4.18Å; Q276-V289 VanDerWaalsContact O-CG2 3.24Å; Q276-V289 WeakPolarHBondContact O-CG2 3.26Å; L277-V289 HydrophobicContact CD2-CG2 4.33Å; M281-V289 WeakPolarHBondContact O-CA 3.5Å; L282-V289 HydrophobicContact CD2-CB 4.44Å; L282-V289 HydrophobicContact CD2-CG2 3.66Å; V289-P291 WeakPolarHBondContact O-CD 3.22Å
290	I	86.2	Confident	85.9	Confident	10 Å²	10	71.1 Å²	71.1	5%	0.051	39%	0.388	C	S	.	.			trans	-74.9	110.1	-176.3	-59.3	164.6	0	0	0	109.1	M281 C283 Q288 G292 E293 T294 A301 W302 C303	M281-I290 HydrophobicContact CB-CD1 4.35Å; M281-I290 PolarHBondContact O-N 3.09Å; C283-I290 HydrophobicContact CB-CD1 4.19Å; C283-I290 HydrophobicContact CB-CG1 3.73Å; Q288-I290 PolarHBondContact O-N 3.4Å; I290-G292 PolarHBondContact O-N 3.35Å; I290-E293 WeakPolarHBondContact CG2-O 3.45Å; I290-T294 HydrophobicContact CD1-CG2 3.79Å; I290-A301 HydrophobicContact CD1-CB 3.84Å; I290-W302 VanDerWaalsContact CD1-C 3.43Å; I290-C303 HydrophobicContact CB-CB 4.45Å; I290-C303 HydrophobicContact CG1-CB 4.07Å; I290-C303 HydrophobicContact CG2-CB 3.86Å
291	P	75	Confident	86.4	Confident	122 Å²	122	70.9 Å²	70.9	79%	0.792	39%	0.385	S	S	*	.			trans	-82.1	97.8	175.9	31.8	-25.1	0	0	0	108.6	V289	V289-P291 WeakPolarHBondContact O-CD 3.22Å
292	G	78.1	Confident	86.9	Confident	61 Å²	61	67.1 Å²	67.1	63%	0.629	37%	0.366	S	S	*	.	S	Bend	trans	106.7	-130.6	173.9	0	0	0	0	0	114.4	I290 T294	I290-G292 PolarHBondContact O-N 3.35Å; G292-T294 PolarHBondContact O-N 3.1Å; G292-T294 PolarHBondContact O-OG1 3.42Å
293	E	84.2	Confident	87.2	Confident	159 Å²	159	63.7 Å²	63.7	74%	0.743	35%	0.349	S	S	*	.			trans	-61.1	124	-174.2	-71.9	-170.8	172.6	0	0	111.6	I290 V304	I290-E293 WeakPolarHBondContact CG2-O 3.45Å; E293-V304 HydrophobicContact CB-CG2 3.87Å
294	T	87.9	Confident	87.2	Confident	44 Å²	44	66.5 Å²	66.5	27%	0.27	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.9	179.4	-60.8	0	0	0	0	109.5	I290 G292 Y296 A301	I290-T294 HydrophobicContact CD1-CG2 3.79Å; G292-T294 PolarHBondContact O-N 3.1Å; G292-T294 PolarHBondContact O-OG1 3.42Å; T294-Y296 HydrophobicContact CG2-CD1 4.46Å; T294-Y296 HydrophobicContact CG2-CD2 4.02Å; T294-Y296 HydrophobicContact CG2-CE1 4.04Å; T294-Y296 HydrophobicContact CG2-CE2 3.55Å; T294-Y296 HydrophobicContact CG2-CG 4.46Å; T294-A301 HydrophobicContact CG2-CB 3.86Å
295	V	90.7	Very high	87.2	Confident	17 Å²	17	67.1 Å²	67.1	10%	0.103	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	121	170.9	175.5	0	0	0	0	108.6	W302 V304 F307 P318	V295-W302 HydrophobicContact CB-CB 4.26Å; V295-W302 PolarHBondContact N-O 3.49Å; V295-W302 PolarHBondContact O-N 2.75Å; V295-V304 HydrophobicContact CG2-CG2 4.47Å; V295-F307 HydrophobicContact CB-CB 4.29Å; V295-F307 HydrophobicContact CB-CG 4.28Å; V295-F307 HydrophobicContact CG1-CB 4.17Å; V295-F307 HydrophobicContact CG1-CD1 3.62Å; V295-F307 HydrophobicContact CG1-CD2 3.95Å; V295-F307 HydrophobicContact CG1-CE1 3.95Å; V295-F307 HydrophobicContact CG1-CE2 4.27Å; V295-F307 HydrophobicContact CG1-CG 3.62Å; V295-F307 HydrophobicContact CG1-CZ 4.27Å; V295-F307 HydrophobicContact CG2-CB 4.44Å; V295-P318 HydrophobicContact CG1-CG 3.84Å
296	Y	90.4	Very high	87.3	Confident	151 Å²	151	67.6 Å²	67.6	59%	0.592	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	117.3	172.4	-67.1	-83.5	0	0	0	109.7	T294 K300 A301	T294-Y296 HydrophobicContact CG2-CD1 4.46Å; T294-Y296 HydrophobicContact CG2-CD2 4.02Å; T294-Y296 HydrophobicContact CG2-CE1 4.04Å; T294-Y296 HydrophobicContact CG2-CE2 3.55Å; T294-Y296 HydrophobicContact CG2-CG 4.46Å; Y296-K300 WeakPolarHBondContact CA-O 3.23Å; Y296-A301 HydrophobicContact CD1-CB 4.44Å; Y296-A301 HydrophobicContact CE1-CB 4.19Å
297	A	89.6	Confident	87.5	Confident	13 Å²	13	65.8 Å²	65.8	11%	0.107	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	146.9	176.9	0	0	0	0	0	109.7	N299 K300 W302 F307 F322	A297-N299 VanDerWaalsContact C-N 3.26Å; A297-N299 PolarHBondContact O-N 2.94Å; A297-K300 PolarHBondContact N-O 2.86Å; A297-K300 VanDerWaalsContact N-O 3.09Å; A297-K300 PolarHBondContact O-N 3.31Å; A297-K300 VanDerWaalsContact O-O 3.05Å; A297-W302 PolarHBondContact O-NE1 2.91Å; A297-F307 HydrophobicContact CB-CD2 4.39Å; A297-F307 HydrophobicContact CB-CE2 3.45Å; A297-F307 VanDerWaalsContact CB-CE2 3.45Å; A297-F307 HydrophobicContact CB-CZ 3.69Å; A297-F322 HydrophobicContact CB-CZ 4.03Å
298	L	88.3	Confident	87.9	Confident	34 Å²	34	61.1 Å²	61.1	18%	0.178	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	57	38.4	178.8	-46.2	-178.4	0	0	0	112.9	K300 F322 E324 P329	L298-K300 WeakPolarHBondContact O-CG 3.35Å; L298-K300 PolarHBondContact O-N 3.5Å; L298-K300 VanDerWaalsContact O-N 3.09Å; L298-F322 HydrophobicContact CD2-CE2 3.84Å; L298-F322 HydrophobicContact CG-CE2 4.32Å; L298-E324 HydrophobicContact CD1-CB 4.26Å; L298-E324 HydrophobicContact CD1-CG 4.12Å; L298-E324 HydrophobicContact CD2-CB 3.73Å; L298-E324 HydrophobicContact CD2-CG 4.14Å; L298-P329 HydrophobicContact CD1-CB 4.16Å
299	N	85	Confident	88.4	Confident	180 Å²	180	55 Å²	55	96%	0.963	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	29.4	-173.3	-69.2	-20.4	0	0	0	114.4	A297	A297-N299 VanDerWaalsContact C-N 3.26Å; A297-N299 PolarHBondContact O-N 2.94Å
300	K	88.2	Confident	88.8	Confident	51 Å²	51	56.2 Å²	56.2	22%	0.222	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.4	-178.4	-66.9	159.2	-162.3	-63	0	110.1	Y284 Y296 A297 L298 W302	Y284-K300 HydrophobicContact CD1-CD 3.85Å; Y284-K300 HydrophobicContact CD2-CB 4.5Å; Y284-K300 HydrophobicContact CD2-CD 3.63Å; Y284-K300 HydrophobicContact CD2-CG 3.94Å; Y284-K300 HydrophobicContact CE1-CD 3.9Å; Y284-K300 HydrophobicContact CE2-CD 3.73Å; Y284-K300 HydrophobicContact CE2-CG 4.36Å; Y284-K300 HydrophobicContact CG-CB 4.29Å; Y284-K300 HydrophobicContact CG-CD 3.67Å; Y284-K300 HydrophobicContact CG-CG 4.13Å; Y296-K300 WeakPolarHBondContact CA-O 3.23Å; A297-K300 PolarHBondContact N-O 2.86Å; A297-K300 VanDerWaalsContact N-O 3.09Å; A297-K300 PolarHBondContact O-N 3.31Å; A297-K300 VanDerWaalsContact O-O 3.05Å; L298-K300 WeakPolarHBondContact O-CG 3.35Å; L298-K300 PolarHBondContact O-N 3.5Å; L298-K300 VanDerWaalsContact O-N 3.09Å; K300-W302 HydrophobicContact CB-CZ2 4.25Å; K300-W302 HydrophobicContact CD-CZ2 3.99Å
301	A	90.7	Very high	89.1	Confident	12 Å²	12	59.4 Å²	59.4	10%	0.099	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	138.7	172	0	0	0	0	0	110	M281 C283 Y284 I290 T294 Y296	M281-A301 HydrophobicContact CB-CB 4.15Å; C283-A301 CarbonylContact C-O 3.51Å; C283-A301 WeakPolarHBondContact CA-O 3.37Å; Y284-A301 PolarHBondContact N-O 3.25Å; I290-A301 HydrophobicContact CD1-CB 3.84Å; T294-A301 HydrophobicContact CG2-CB 3.86Å; Y296-A301 HydrophobicContact CD1-CB 4.44Å; Y296-A301 HydrophobicContact CE1-CB 4.19Å
302	W	92	Very high	90	Very high	6 Å²	6	56.2 Å²	56.2	2%	0.023	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	141.5	-178.3	-50.7	78.7	0	0	0	109.2	Y284 I290 V295 A297 K300 F307 K328	Y284-W302 HydrophobicContact CD1-CE3 4.49Å; Y284-W302 AromaticContact CD1-CH2 3.29Å; Y284-W302 HydrophobicContact CD1-CH2 3.29Å; Y284-W302 AromaticContact CD1-CZ2 3.7Å; Y284-W302 HydrophobicContact CD1-CZ2 3.7Å; Y284-W302 AromaticContact CD1-CZ3 3.74Å; Y284-W302 HydrophobicContact CD1-CZ3 3.74Å; Y284-W302 AromaticContact CE1-CH2 3.91Å; Y284-W302 HydrophobicContact CE1-CH2 3.91Å; Y284-W302 HydrophobicContact CE1-CZ2 4.37Å; Y284-W302 HydrophobicContact CG-CH2 4.22Å; Y284-W302 HydrophobicContact CG-CZ2 4.29Å; I290-W302 VanDerWaalsContact CD1-C 3.43Å; V295-W302 HydrophobicContact CB-CB 4.26Å; V295-W302 PolarHBondContact N-O 3.49Å; V295-W302 PolarHBondContact O-N 2.75Å; A297-W302 PolarHBondContact O-NE1 2.91Å; K300-W302 HydrophobicContact CB-CZ2 4.25Å; K300-W302 HydrophobicContact CD-CZ2 3.99Å; W302-F307 HydrophobicContact CB-CB 3.92Å; W302-F307 HydrophobicContact CB-CD2 4.14Å; W302-F307 HydrophobicContact CB-CG 4.42Å; W302-F307 AromaticContact CD1-CD2 3.97Å; W302-F307 AromaticContact CD2-CD2 3.99Å; W302-F307 HydrophobicContact CD2-CD2 3.99Å; W302-F307 HydrophobicContact CG-CB 4.46Å; W302-F307 AromaticContact CG-CD2 3.79Å; W302-F307 HydrophobicContact CG-CD2 3.79Å; W302-K328 HydrophobicContact CH2-CG 4.45Å
303	C	90.7	Very high	90.7	Very high	14 Å²	14	59.9 Å²	59.9	10%	0.095	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	155.9	164.1	71.9	0	0	0	0	109.7	C283 I290 D305 H306 F307	C283-C303 HydrophobicContact CB-CB 4.4Å; C283-C303 PolarHBondContact SG-N 2.9Å; C283-C303 VanDerWaalsContact SG-N 3.38Å; I290-C303 HydrophobicContact CB-CB 4.45Å; I290-C303 HydrophobicContact CG1-CB 4.07Å; I290-C303 HydrophobicContact CG2-CB 3.86Å; C303-D305 PolarHBondContact O-N 2.63Å; C303-D305 VanDerWaalsContact O-N 3.14Å; C303-H306 PolarHBondContact O-N 2.81Å; C303-H306 PolarHBondContact SG-ND1 2.94Å; C303-F307 PolarHBondContact O-N 3.48Å; C303-F307 VanDerWaalsContact O-N 3.07Å
304	V	89.7	Confident	91.2	Very high	61 Å²	61	59.3 Å²	59.3	37%	0.37	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.8	-178.8	-177.4	0	0	0	0	112.2	E293 V295	E293-V304 HydrophobicContact CB-CG2 3.87Å; V295-V304 HydrophobicContact CG2-CG2 4.47Å
305	D	89.6	Confident	91.4	Very high	99 Å²	99	64.7 Å²	64.7	53%	0.529	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-24.9	179.9	-64.5	-52.1	0	0	0	114.1	C303 R315	C303-D305 PolarHBondContact O-N 2.63Å; C303-D305 VanDerWaalsContact O-N 3.14Å; D305-R315 IonicContact OD1-CZ 2.62Å; D305-R315 IonicContact OD1-NH1 2.68Å; D305-R315 PolarHBondContact OD1-NH1 2.77Å; D305-R315 IonicContact OD1-NH2 3.23Å; D305-R315 PolarHBondContact OD1-NH2 3.12Å
306	H	91.4	Very high	91.5	Very high	79 Å²	79	64.7 Å²	64.7	37%	0.366	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-3	-176.9	-68.9	120.8	0	0	0	114.1	C286 C303 G308	C286-H306 WeakPolarHBondContact CB-CE1 3.09Å; C286-H306 PolarHBondContact SG-ND1 3.05Å; C303-H306 PolarHBondContact O-N 2.81Å; C303-H306 PolarHBondContact SG-ND1 2.94Å; H306-G308 PolarHBondContact O-N 3.05Å; H306-G308 VanDerWaalsContact O-N 3.09Å
307	F	94.3	Very high	91.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.314	C	S	.	.			trans	-81.3	86.2	169.9	-169.4	-114.4	0	0	0	110.1	V295 A297 W302 C303 L316 F322 P329	V295-F307 HydrophobicContact CB-CB 4.29Å; V295-F307 HydrophobicContact CB-CG 4.28Å; V295-F307 HydrophobicContact CG1-CB 4.17Å; V295-F307 HydrophobicContact CG1-CD1 3.62Å; V295-F307 HydrophobicContact CG1-CD2 3.95Å; V295-F307 HydrophobicContact CG1-CE1 3.95Å; V295-F307 HydrophobicContact CG1-CE2 4.27Å; V295-F307 HydrophobicContact CG1-CG 3.62Å; V295-F307 HydrophobicContact CG1-CZ 4.27Å; V295-F307 HydrophobicContact CG2-CB 4.44Å; A297-F307 HydrophobicContact CB-CD2 4.39Å; A297-F307 HydrophobicContact CB-CE2 3.45Å; A297-F307 VanDerWaalsContact CB-CE2 3.45Å; A297-F307 HydrophobicContact CB-CZ 3.69Å; W302-F307 HydrophobicContact CB-CB 3.92Å; W302-F307 HydrophobicContact CB-CD2 4.14Å; W302-F307 HydrophobicContact CB-CG 4.42Å; W302-F307 AromaticContact CD1-CD2 3.97Å; W302-F307 AromaticContact CD2-CD2 3.99Å; W302-F307 HydrophobicContact CD2-CD2 3.99Å; W302-F307 HydrophobicContact CG-CB 4.46Å; W302-F307 AromaticContact CG-CD2 3.79Å; W302-F307 HydrophobicContact CG-CD2 3.79Å; C303-F307 PolarHBondContact O-N 3.48Å; C303-F307 VanDerWaalsContact O-N 3.07Å; F307-L316 HydrophobicContact CD1-CB 3.68Å; F307-L316 WeakPolarHBondContact CD1-O 3.47Å; F307-L316 HydrophobicContact CE1-CB 3.48Å; F307-L316 VanDerWaalsContact CE1-CB 3.48Å; F307-L316 HydrophobicContact CZ-CB 4.18Å; F307-L316 PolarHBondContact O-N 3.43Å; F307-F322 HydrophobicContact CE1-CE1 4.3Å; F307-F322 HydrophobicContact CZ-CD1 4.1Å; F307-F322 AromaticContact CZ-CE1 3.72Å; F307-F322 HydrophobicContact CZ-CE1 3.72Å; F307-F322 HydrophobicContact CZ-CE2 4.41Å; F307-F322 AromaticContact CZ-CZ 3.9Å; F307-F322 HydrophobicContact CZ-CZ 3.9Å; F307-P329 HydrophobicContact CD2-CG 4.13Å; F307-P329 HydrophobicContact CE2-CB 4.05Å; F307-P329 HydrophobicContact CE2-CG 3.77Å; F307-P329 HydrophobicContact CZ-CB 4.39Å; F307-P329 HydrophobicContact CZ-CG 4.49Å
308	G	94	Very high	91.1	Very high	16 Å²	16	63.1 Å²	63.1	17%	0.165	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-143.5	161.6	-176.3	0	0	0	0	0	113	H306 S310 R314 P329	H306-G308 PolarHBondContact O-N 3.05Å; H306-G308 VanDerWaalsContact O-N 3.09Å; G308-S310 PolarHBondContact O-N 3.42Å; G308-R314 CarbonylContact C-O 3.53Å; G308-R314 VanDerWaalsContact CA-O 3.27Å; G308-R314 WeakPolarHBondContact CA-O 3.22Å; G308-P329 WeakPolarHBondContact O-CG 3.43Å
309	C	95.3	Very high	91.1	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.37	C	S	.	.			trans	-59.5	121.3	176.8	179.9	0	0	0	0	110.5	V311 C312 D313 R314 L316 P329 C331	C309-V311 PolarHBondContact O-N 3.05Å; C309-C312 PolarHBondContact O-N 3.29Å; C309-D313 VanDerWaalsContact O-CA 3.24Å; C309-D313 WeakPolarHBondContact O-CA 3.41Å; C309-D313 PolarHBondContact O-N 2.97Å; C309-R314 HydrophobicContact CB-CB 4.34Å; C309-R314 PolarHBondContact N-O 3.32Å; C309-L316 HydrophobicContact CB-CD1 4.41Å; C309-P329 CarbonylContact C-O 3.6Å; C309-P329 VanDerWaalsContact CA-O 3.29Å; C309-P329 WeakPolarHBondContact CA-O 3.25Å; C309-C331 HydrophobicContact CB-CB 3.96Å; C309-C331 PolarHBondContact SG-N 3.43Å
310	S	93.6	Very high	91.4	Very high	51 Å²	51	65.3 Å²	65.3	36%	0.357	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7	-179.5	64.9	0	0	0	0	115.3	G308 P329 V330	G308-S310 PolarHBondContact O-N 3.42Å; S310-P329 PolarHBondContact N-O 3.18Å; S310-V330 WeakPolarHBondContact OG-CG2 3.42Å
311	V	92.5	Very high	91.5	Very high	77 Å²	77	69.5 Å²	69.5	47%	0.467	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-31.6	-178.8	-178.9	0	0	0	0	112.4	C309 V330 C334 F338	C309-V311 PolarHBondContact O-N 3.05Å; V311-V330 HydrophobicContact CG2-CG1 3.95Å; V311-V330 HydrophobicContact CG2-CG2 4.12Å; V311-C334 HydrophobicContact CB-CB 3.87Å; V311-C334 HydrophobicContact CG1-CB 4Å; V311-C334 HydrophobicContact CG2-CB 4.27Å; V311-F338 HydrophobicContact CG2-CE1 4.2Å; V311-F338 HydrophobicContact CG2-CZ 4.07Å
312	C	94.7	Very high	91.7	Very high	55 Å²	55	71.2 Å²	71.2	37%	0.372	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.6	6.6	-174	70.9	0	0	0	0	114.4	C309 R314 C334	C309-C312 PolarHBondContact O-N 3.29Å; C312-R314 PolarHBondContact O-N 3.04Å; C312-R314 VanDerWaalsContact SG-CB 3.6Å; C312-C334 PolarHBondContact SG-SG 3.48Å
313	D	92.5	Very high	91.7	Very high	138 Å²	138	73.9 Å²	73.9	74%	0.738	37%	0.374	S	S	*	.			trans	56.3	9.6	179.6	-54.6	-45	0	0	0	115.4	C309 R315	C309-D313 VanDerWaalsContact O-CA 3.24Å; C309-D313 WeakPolarHBondContact O-CA 3.41Å; C309-D313 PolarHBondContact O-N 2.97Å; D313-R315 PolarHBondContact O-N 3.07Å; D313-R315 VanDerWaalsContact O-N 3.12Å
314	R	93.1	Very high	91.7	Very high	148 Å²	148	75 Å²	75	56%	0.558	38%	0.378	S	S	*	.			trans	-58.7	121	174.4	-178	-176.5	-62.2	-177.8	1.6	108.9	G308 C309 C312 L316	G308-R314 CarbonylContact C-O 3.53Å; G308-R314 VanDerWaalsContact CA-O 3.27Å; G308-R314 WeakPolarHBondContact CA-O 3.22Å; C309-R314 HydrophobicContact CB-CB 4.34Å; C309-R314 PolarHBondContact N-O 3.32Å; C312-R314 PolarHBondContact O-N 3.04Å; C312-R314 VanDerWaalsContact SG-CB 3.6Å; R314-L316 PolarHBondContact O-N 2.96Å
315	R	92.2	Very high	91.7	Very high	157 Å²	157	75.4 Å²	75.4	59%	0.592	38%	0.375	S	S	*	.	B	Isolated β-bridge	trans	-53.6	128.9	172.7	-68.3	-176.2	177.9	-151.1	-10.2	110.4	D305 D313	D305-R315 IonicContact OD1-CZ 2.62Å; D305-R315 IonicContact OD1-NH1 2.68Å; D305-R315 PolarHBondContact OD1-NH1 2.77Å; D305-R315 IonicContact OD1-NH2 3.23Å; D305-R315 PolarHBondContact OD1-NH2 3.12Å; D313-R315 PolarHBondContact O-N 3.07Å; D313-R315 VanDerWaalsContact O-N 3.12Å
316	L	92.7	Very high	91.6	Very high	16 Å²	16	76.1 Å²	76.1	8%	0.084	38%	0.378	C	S	.	.			trans	-104.2	163.9	176.4	-64.4	175.2	0	0	0	108.6	F307 C309 R314 F322 P329 C331	F307-L316 HydrophobicContact CD1-CB 3.68Å; F307-L316 WeakPolarHBondContact CD1-O 3.47Å; F307-L316 HydrophobicContact CE1-CB 3.48Å; F307-L316 VanDerWaalsContact CE1-CB 3.48Å; F307-L316 HydrophobicContact CZ-CB 4.18Å; F307-L316 PolarHBondContact O-N 3.43Å; C309-L316 HydrophobicContact CB-CD1 4.41Å; R314-L316 PolarHBondContact O-N 2.96Å; L316-F322 HydrophobicContact CD1-CB 3.87Å; L316-F322 HydrophobicContact CD1-CG 4.33Å; L316-P329 HydrophobicContact CD1-CB 3.68Å; L316-P329 HydrophobicContact CD1-CG 4.08Å; L316-C331 HydrophobicContact CD2-CB 3.88Å
317	S	89.6	Confident	91.4	Very high	44 Å²	44	77.9 Å²	77.9	31%	0.308	38%	0.383	S	S	.	.			trans	-131.5	161.4	164.9	80	0	0	0	0	109.1	K319 T320	S317-K319 PolarHBondContact O-N 2.83Å; S317-K319 PolarHBondContact OG-N 2.85Å; S317-T320 PolarHBondContact N-OG1 3.38Å; S317-T320 PolarHBondContact O-N 3.03Å; S317-T320 PolarHBondContact O-OG1 2.83Å; S317-T320 PolarHBondContact OG-N 2.86Å
318	P	83.8	Confident	91.2	Very high	87 Å²	87	82.4 Å²	82.4	57%	0.565	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-21.7	173.4	-28.7	36.3	0	0	0	114	V295	V295-P318 HydrophobicContact CG1-CG 3.84Å
319	K	88.4	Confident	91.2	Very high	206 Å²	206	81.7 Å²	81.7	90%	0.896	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-18.7	176.8	-59.7	-178.4	-179.8	177.9	0	113.4	S317	S317-K319 PolarHBondContact O-N 2.83Å; S317-K319 PolarHBondContact OG-N 2.85Å
320	T	89.5	Confident	91.2	Very high	54 Å²	54	81.7 Å²	81.7	33%	0.331	40%	0.395	S	S	.	.	S	Bend	trans	-77.7	139.4	176.7	59.8	0	0	0	0	110.5	S317 F322	S317-T320 PolarHBondContact N-OG1 3.38Å; S317-T320 PolarHBondContact O-N 3.03Å; S317-T320 PolarHBondContact O-OG1 2.83Å; S317-T320 PolarHBondContact OG-N 2.86Å; T320-F322 WeakPolarHBondContact O-CD1 3.49Å; T320-F322 PolarHBondContact O-N 2.85Å
321	K	92.2	Very high	91.3	Very high	139 Å²	139	79.5 Å²	79.5	60%	0.604	38%	0.38	S	S	*	.			trans	-73.4	118.9	173.4	-168.3	172.7	-174	178.7	0	110.1	Y323 K332	K321-Y323 WeakPolarHBondContact CE-OH 3.26Å; K321-K332 HydrophobicContact CD-CD 4.46Å; K321-K332 PolarHBondContact O-N 3.15Å
322	F	93.4	Very high	91.4	Very high	49 Å²	49	80.5 Å²	80.5	22%	0.215	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	167.9	173.7	60.8	-92.1	0	0	0	110.1	A297 L298 F307 L316 T320 P329 V330	A297-F322 HydrophobicContact CB-CZ 4.03Å; L298-F322 HydrophobicContact CD2-CE2 3.84Å; L298-F322 HydrophobicContact CG-CE2 4.32Å; F307-F322 HydrophobicContact CE1-CE1 4.3Å; F307-F322 HydrophobicContact CZ-CD1 4.1Å; F307-F322 AromaticContact CZ-CE1 3.72Å; F307-F322 HydrophobicContact CZ-CE1 3.72Å; F307-F322 HydrophobicContact CZ-CE2 4.41Å; F307-F322 AromaticContact CZ-CZ 3.9Å; F307-F322 HydrophobicContact CZ-CZ 3.9Å; L316-F322 HydrophobicContact CD1-CB 3.87Å; L316-F322 HydrophobicContact CD1-CG 4.33Å; T320-F322 WeakPolarHBondContact O-CD1 3.49Å; T320-F322 PolarHBondContact O-N 2.85Å; F322-P329 HydrophobicContact CB-CB 4.42Å; F322-P329 HydrophobicContact CD2-CB 3.78Å; F322-P329 HydrophobicContact CE2-CB 4.35Å; F322-P329 HydrophobicContact CG-CB 4.17Å; F322-V330 CarbonylContact C-O 3.52Å; F322-V330 VanDerWaalsContact CA-O 3.25Å; F322-V330 WeakPolarHBondContact CA-O 3.32Å; F322-V330 WeakPolarHBondContact CB-O 3.35Å
323	Y	92.2	Very high	91.4	Very high	61 Å²	61	80.2 Å²	80.2	24%	0.239	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.6	176.2	-61.1	-89.7	0	0	0	108.6	K321 V330 K332 Y335	K321-Y323 WeakPolarHBondContact CE-OH 3.26Å; Y323-V330 PolarHBondContact N-O 3.41Å; Y323-V330 PolarHBondContact O-N 3.33Å; Y323-K332 HydrophobicContact CE2-CB 4.04Å; Y323-K332 HydrophobicContact CE2-CG 4.1Å; Y323-Y335 HydrophobicContact CD1-CD1 4.09Å; Y323-Y335 HydrophobicContact CD1-CD2 4.44Å; Y323-Y335 AromaticContact CD1-CE1 3.97Å; Y323-Y335 HydrophobicContact CD1-CE1 3.97Å; Y323-Y335 HydrophobicContact CD1-CE2 4.34Å; Y323-Y335 HydrophobicContact CD1-CG 4.32Å; Y323-Y335 VanDerWaalsContact CD2-CB 3.48Å; Y323-Y335 AromaticContact CD2-CD1 3.53Å; Y323-Y335 HydrophobicContact CD2-CD1 3.53Å; Y323-Y335 HydrophobicContact CD2-CD2 4.06Å; Y323-Y335 HydrophobicContact CD2-CE1 4.25Å; Y323-Y335 AromaticContact CD2-CG 3.41Å; Y323-Y335 HydrophobicContact CD2-CG 3.41Å; Y323-Y335 VanDerWaalsContact CD2-CG 3.41Å; Y323-Y335 HydrophobicContact CE1-CD1 4.15Å; Y323-Y335 AromaticContact CE1-CE1 3.98Å; Y323-Y335 HydrophobicContact CE1-CE1 3.98Å; Y323-Y335 AromaticContact CE2-CD1 3.58Å; Y323-Y335 HydrophobicContact CE2-CD1 3.58Å; Y323-Y335 HydrophobicContact CE2-CE1 4.24Å; Y323-Y335 AromaticContact CE2-CG 3.94Å; Y323-Y335 HydrophobicContact CE2-CG 3.94Å; Y323-Y335 AromaticContact CG-CD1 3.79Å; Y323-Y335 HydrophobicContact CG-CD1 3.79Å; Y323-Y335 AromaticContact CG-CD2 3.8Å; Y323-Y335 HydrophobicContact CG-CD2 3.8Å; Y323-Y335 HydrophobicContact CG-CE1 4.1Å; Y323-Y335 HydrophobicContact CG-CE2 4.12Å; Y323-Y335 AromaticContact CG-CG 3.61Å; Y323-Y335 HydrophobicContact CG-CG 3.61Å; Y323-Y335 AromaticContact CZ-CD1 3.89Å
324	E	91.6	Very high	91.5	Very high	38 Å²	38	74.2 Å²	74.2	18%	0.178	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.6	172.8	177.2	171	-173.1	0	0	110.5	L298 Y327 H350	L298-E324 HydrophobicContact CD1-CB 4.26Å; L298-E324 HydrophobicContact CD1-CG 4.12Å; L298-E324 HydrophobicContact CD2-CB 3.73Å; L298-E324 HydrophobicContact CD2-CG 4.14Å; E324-Y327 WeakPolarHBondContact OE1-CA 3.32Å; E324-Y327 WeakPolarHBondContact OE1-CD1 3.38Å; E324-H350 PolarHBondContact O-NE2 3.12Å; E324-H350 IonicContact OE2-CE1 2.7Å
325	F	89.6	Confident	91.6	Very high	70 Å²	70	68.3 Å²	68.3	31%	0.307	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	127.4	169.4	177.7	-113.5	0	0	0	109	Y327 K328 V330 F338 L342 I346	F325-Y327 PolarHBondContact O-N 2.88Å; F325-K328 PolarHBondContact N-O 2.96Å; F325-K328 PolarHBondContact O-N 2.68Å; F325-K328 VanDerWaalsContact O-O 3.04Å; F325-V330 HydrophobicContact CB-CG2 3.77Å; F325-F338 HydrophobicContact CB-CE2 4.09Å; F325-F338 AromaticContact CD1-CE2 3.75Å; F325-F338 HydrophobicContact CD1-CE2 3.75Å; F325-F338 AromaticContact CD1-CZ 3.78Å; F325-F338 HydrophobicContact CD1-CZ 3.78Å; F325-F338 HydrophobicContact CD2-CE2 4.12Å; F325-F338 HydrophobicContact CE1-CE2 4.19Å; F325-F338 HydrophobicContact CE1-CZ 4.09Å; F325-F338 AromaticContact CG-CE2 3.7Å; F325-F338 HydrophobicContact CG-CE2 3.7Å; F325-F338 HydrophobicContact CG-CZ 4.21Å; F325-L342 HydrophobicContact CE2-CD1 4.01Å; F325-L342 HydrophobicContact CE2-CD2 4.28Å; F325-L342 HydrophobicContact CE2-CG 4.46Å; F325-L342 HydrophobicContact CZ-CD2 4.29Å; F325-I346 HydrophobicContact CB-CD1 4.48Å; F325-I346 HydrophobicContact CD2-CD1 3.36Å; F325-I346 HydrophobicContact CD2-CG1 3.85Å; F325-I346 HydrophobicContact CE2-CD1 3.89Å; F325-I346 HydrophobicContact CE2-CG1 4.28Å; F325-I346 HydrophobicContact CG-CD1 4.2Å
326	D	86.9	Confident	91.6	Very high	113 Å²	113	65.6 Å²	65.6	60%	0.604	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	45.7	-177.1	-165.3	35.7	0	0	0	112.5	K328	D326-K328 PolarHBondContact O-N 2.86Å; D326-K328 VanDerWaalsContact O-N 3.07Å
327	Y	87	Confident	91.7	Very high	117 Å²	117	71.7 Å²	71.7	46%	0.459	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	18.6	-179.4	-51.7	-74.4	0	0	0	115.5	E324 F325	E324-Y327 WeakPolarHBondContact OE1-CA 3.32Å; E324-Y327 WeakPolarHBondContact OE1-CD1 3.38Å; F325-Y327 PolarHBondContact O-N 2.88Å
328	K	91.2	Very high	91.9	Very high	95 Å²	95	71 Å²	71	41%	0.413	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151	179.5	-65.7	177.7	-176.4	174.9	0	111	Y284 W302 F325 D326	Y284-K328 HydrophobicContact CE1-CG 4.49Å; W302-K328 HydrophobicContact CH2-CG 4.45Å; F325-K328 PolarHBondContact N-O 2.96Å; F325-K328 PolarHBondContact O-N 2.68Å; F325-K328 VanDerWaalsContact O-O 3.04Å; D326-K328 PolarHBondContact O-N 2.86Å; D326-K328 VanDerWaalsContact O-N 3.07Å
329	P	93.6	Very high	92.3	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.006	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	136.7	-178.7	32.3	-34.3	0	0	0	110.9	L298 F307 G308 C309 S310 L316 F322	L298-P329 HydrophobicContact CD1-CB 4.16Å; F307-P329 HydrophobicContact CD2-CG 4.13Å; F307-P329 HydrophobicContact CE2-CB 4.05Å; F307-P329 HydrophobicContact CE2-CG 3.77Å; F307-P329 HydrophobicContact CZ-CB 4.39Å; F307-P329 HydrophobicContact CZ-CG 4.49Å; G308-P329 WeakPolarHBondContact O-CG 3.43Å; C309-P329 CarbonylContact C-O 3.6Å; C309-P329 VanDerWaalsContact CA-O 3.29Å; C309-P329 WeakPolarHBondContact CA-O 3.25Å; S310-P329 PolarHBondContact N-O 3.18Å; L316-P329 HydrophobicContact CD1-CB 3.68Å; L316-P329 HydrophobicContact CD1-CG 4.08Å; F322-P329 HydrophobicContact CB-CB 4.42Å; F322-P329 HydrophobicContact CD2-CB 3.78Å; F322-P329 HydrophobicContact CE2-CB 4.35Å; F322-P329 HydrophobicContact CG-CB 4.17Å
330	V	94.5	Very high	92.3	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.9	175.5	-179.5	0	0	0	0	108.6	S310 V311 F322 Y323 F325 C334 F338	S310-V330 WeakPolarHBondContact OG-CG2 3.42Å; V311-V330 HydrophobicContact CG2-CG1 3.95Å; V311-V330 HydrophobicContact CG2-CG2 4.12Å; F322-V330 CarbonylContact C-O 3.52Å; F322-V330 VanDerWaalsContact CA-O 3.25Å; F322-V330 WeakPolarHBondContact CA-O 3.32Å; F322-V330 WeakPolarHBondContact CB-O 3.35Å; Y323-V330 PolarHBondContact N-O 3.41Å; Y323-V330 PolarHBondContact O-N 3.33Å; F325-V330 HydrophobicContact CB-CG2 3.77Å; V330-C334 HydrophobicContact CG1-CB 3.57Å; V330-F338 HydrophobicContact CG1-CZ 4.25Å; V330-F338 HydrophobicContact CG2-CZ 4.44Å
331	C	95.7	Very high	92.4	Very high	5 Å²	5	71.1 Å²	71.1	3%	0.034	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	152.4	178.9	74.4	0	0	0	0	111	C309 L316 S333 C334 Y335	C309-C331 HydrophobicContact CB-CB 3.96Å; C309-C331 PolarHBondContact SG-N 3.43Å; L316-C331 HydrophobicContact CD2-CB 3.88Å; C331-S333 PolarHBondContact O-N 3.29Å; C331-S333 VanDerWaalsContact O-N 3.13Å; C331-S333 PolarHBondContact SG-OG 3.49Å; C331-C334 PolarHBondContact O-N 3.27Å; C331-C334 PolarHBondContact SG-N 3.04Å; C331-C334 PolarHBondContact SG-SG 2.97Å; C331-Y335 PolarHBondContact O-N 3.29Å
332	K	94.5	Very high	92.3	Very high	97 Å²	97	66.2 Å²	66.2	42%	0.422	32%	0.322	S	S	.	.	H	α-helix	trans	-49.2	-43.4	-179.4	178	-177.8	173.2	-171.4	0	113.6	K321 Y323 Y335 E336	K321-K332 HydrophobicContact CD-CD 4.46Å; K321-K332 PolarHBondContact O-N 3.15Å; Y323-K332 HydrophobicContact CE2-CB 4.04Å; Y323-K332 HydrophobicContact CE2-CG 4.1Å; K332-Y335 PolarHBondContact O-N 3.34Å; K332-E336 WeakPolarHBondContact CE-OE1 3.15Å; K332-E336 HydrophobicContact CG-CG 4.49Å; K332-E336 IonicContact NZ-OE1 2.74Å; K332-E336 WeakPolarHBondContact O-CG 3.44Å; K332-E336 PolarHBondContact O-N 2.87Å
333	S	94.9	Very high	92.3	Very high	50 Å²	50	68.1 Å²	68.1	35%	0.35	33%	0.327	S	S	.	.	H	α-helix	trans	-65.3	-39.7	-179.6	52.1	0	0	0	0	112.9	C331 L337	C331-S333 PolarHBondContact O-N 3.29Å; C331-S333 VanDerWaalsContact O-N 3.13Å; C331-S333 PolarHBondContact SG-OG 3.49Å; S333-L337 WeakPolarHBondContact O-CG 3.16Å
334	C	95.7	Very high	92.1	Very high	11 Å²	11	71 Å²	71	7%	0.074	34%	0.341	C	S	.	.	H	α-helix	trans	-72.4	-36.3	176	-71.5	0	0	0	0	111.7	V311 C312 V330 C331 E336 L337	V311-C334 HydrophobicContact CB-CB 3.87Å; V311-C334 HydrophobicContact CG1-CB 4Å; V311-C334 HydrophobicContact CG2-CB 4.27Å; C312-C334 PolarHBondContact SG-SG 3.48Å; V330-C334 HydrophobicContact CG1-CB 3.57Å; C331-C334 PolarHBondContact O-N 3.27Å; C331-C334 PolarHBondContact SG-N 3.04Å; C331-C334 PolarHBondContact SG-SG 2.97Å; C334-E336 VanDerWaalsContact C-N 3.34Å; C334-E336 PolarHBondContact O-N 3.26Å; C334-L337 WeakPolarHBondContact O-CB 3.36Å; C334-L337 PolarHBondContact O-N 3.45Å
335	Y	93.8	Very high	92	Very high	25 Å²	25	76.7 Å²	76.7	10%	0.098	36%	0.361	C	S	.	.	H	α-helix	trans	-63.3	-40	175.8	179.8	-99.9	0	0	0	111.9	Y323 C331 K332 L337 F338 R343 I346	Y323-Y335 HydrophobicContact CD1-CD1 4.09Å; Y323-Y335 HydrophobicContact CD1-CD2 4.44Å; Y323-Y335 AromaticContact CD1-CE1 3.97Å; Y323-Y335 HydrophobicContact CD1-CE1 3.97Å; Y323-Y335 HydrophobicContact CD1-CE2 4.34Å; Y323-Y335 HydrophobicContact CD1-CG 4.32Å; Y323-Y335 VanDerWaalsContact CD2-CB 3.48Å; Y323-Y335 AromaticContact CD2-CD1 3.53Å; Y323-Y335 HydrophobicContact CD2-CD1 3.53Å; Y323-Y335 HydrophobicContact CD2-CD2 4.06Å; Y323-Y335 HydrophobicContact CD2-CE1 4.25Å; Y323-Y335 AromaticContact CD2-CG 3.41Å; Y323-Y335 HydrophobicContact CD2-CG 3.41Å; Y323-Y335 VanDerWaalsContact CD2-CG 3.41Å; Y323-Y335 HydrophobicContact CE1-CD1 4.15Å; Y323-Y335 AromaticContact CE1-CE1 3.98Å; Y323-Y335 HydrophobicContact CE1-CE1 3.98Å; Y323-Y335 AromaticContact CE2-CD1 3.58Å; Y323-Y335 HydrophobicContact CE2-CD1 3.58Å; Y323-Y335 HydrophobicContact CE2-CE1 4.24Å; Y323-Y335 AromaticContact CE2-CG 3.94Å; Y323-Y335 HydrophobicContact CE2-CG 3.94Å; Y323-Y335 AromaticContact CG-CD1 3.79Å; Y323-Y335 HydrophobicContact CG-CD1 3.79Å; Y323-Y335 AromaticContact CG-CD2 3.8Å; Y323-Y335 HydrophobicContact CG-CD2 3.8Å; Y323-Y335 HydrophobicContact CG-CE1 4.1Å; Y323-Y335 HydrophobicContact CG-CE2 4.12Å; Y323-Y335 AromaticContact CG-CG 3.61Å; Y323-Y335 HydrophobicContact CG-CG 3.61Å; Y323-Y335 AromaticContact CZ-CD1 3.89Å; C331-Y335 PolarHBondContact O-N 3.29Å; K332-Y335 PolarHBondContact O-N 3.34Å; Y335-L337 PolarHBondContact O-N 2.93Å; Y335-F338 HydrophobicContact CD2-CD2 4.08Å; Y335-F338 HydrophobicContact CD2-CE2 4.42Å; Y335-F338 WeakPolarHBondContact O-CB 3.37Å; Y335-F338 PolarHBondContact O-N 3.46Å; Y335-R343 HydrophobicContact CE1-CG 3.99Å; Y335-R343 HydrophobicContact CE2-CG 4.09Å; Y335-R343 WeakPolarHBondContact O-CD 3.29Å; Y335-I346 HydrophobicContact CE2-CD1 4.01Å; Y335-I346 HydrophobicContact CE2-CG2 4.24Å
336	E	93.4	Very high	91.8	Very high	100 Å²	100	73.8 Å²	73.8	47%	0.467	35%	0.348	S	S	.	.	H	α-helix	trans	-65.7	-23.3	178.2	-76	171.4	175.1	0	0	113.4	K332 C334 F338	K332-E336 WeakPolarHBondContact CE-OE1 3.15Å; K332-E336 HydrophobicContact CG-CG 4.49Å; K332-E336 IonicContact NZ-OE1 2.74Å; K332-E336 WeakPolarHBondContact O-CG 3.44Å; K332-E336 PolarHBondContact O-N 2.87Å; C334-E336 VanDerWaalsContact C-N 3.34Å; C334-E336 PolarHBondContact O-N 3.26Å; E336-F338 VanDerWaalsContact C-N 3.3Å
337	L	94.3	Very high	91.7	Very high	144 Å²	144	70.5 Å²	70.5	75%	0.754	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-12.1	173.6	-64.5	172.1	0	0	0	113.3	S333 C334 Y335	S333-L337 WeakPolarHBondContact O-CG 3.16Å; C334-L337 WeakPolarHBondContact O-CB 3.36Å; C334-L337 PolarHBondContact O-N 3.45Å; Y335-L337 PolarHBondContact O-N 2.93Å
338	F	92.9	Very high	91.6	Very high	29 Å²	29	72.1 Å²	72.1	13%	0.127	35%	0.346	C	S	.	.	S	Bend	trans	-69	141.3	177.3	-71.7	-5.6	0	0	0	111.7	V311 F325 V330 Y335 E336 M340 L342 R343 I346	V311-F338 HydrophobicContact CG2-CE1 4.2Å; V311-F338 HydrophobicContact CG2-CZ 4.07Å; F325-F338 HydrophobicContact CB-CE2 4.09Å; F325-F338 AromaticContact CD1-CE2 3.75Å; F325-F338 HydrophobicContact CD1-CE2 3.75Å; F325-F338 AromaticContact CD1-CZ 3.78Å; F325-F338 HydrophobicContact CD1-CZ 3.78Å; F325-F338 HydrophobicContact CD2-CE2 4.12Å; F325-F338 HydrophobicContact CE1-CE2 4.19Å; F325-F338 HydrophobicContact CE1-CZ 4.09Å; F325-F338 AromaticContact CG-CE2 3.7Å; F325-F338 HydrophobicContact CG-CE2 3.7Å; F325-F338 HydrophobicContact CG-CZ 4.21Å; V330-F338 HydrophobicContact CG1-CZ 4.25Å; V330-F338 HydrophobicContact CG2-CZ 4.44Å; Y335-F338 HydrophobicContact CD2-CD2 4.08Å; Y335-F338 HydrophobicContact CD2-CE2 4.42Å; Y335-F338 WeakPolarHBondContact O-CB 3.37Å; Y335-F338 PolarHBondContact O-N 3.46Å; E336-F338 VanDerWaalsContact C-N 3.3Å; F338-M340 PolarHBondContact O-N 3.13Å; F338-L342 HydrophobicContact CB-CD2 4.1Å; F338-L342 HydrophobicContact CD2-CD2 3.92Å; F338-L342 HydrophobicContact CD2-CG 4.41Å; F338-L342 HydrophobicContact CE2-CD2 4.46Å; F338-L342 HydrophobicContact CG-CD2 3.96Å; F338-R343 HydrophobicContact CB-CG 3.86Å; F338-R343 PolarHBondContact O-NE 3.04Å; F338-I346 HydrophobicContact CD2-CD1 3.9Å; F338-I346 HydrophobicContact CE2-CD1 4.18Å
339	P	92.8	Very high	91	Very high	83 Å²	83	72.2 Å²	72.2	54%	0.539	35%	0.35	S	S	.	.			trans	-49.9	142	174.7	-27.7	34.5	0	0	0	111.8	E341 L342 R343	P339-E341 PolarHBondContact O-N 3.21Å; P339-E341 VanDerWaalsContact O-N 3.15Å; P339-L342 HydrophobicContact CB-CB 4.39Å; P339-L342 WeakPolarHBondContact O-CA 3.33Å; P339-L342 WeakPolarHBondContact O-CB 3.4Å; P339-L342 PolarHBondContact O-N 3.07Å; P339-R343 PolarHBondContact O-N 3.01Å
340	M	89.7	Confident	90.1	Very high	119 Å²	119	75.3 Å²	75.3	59%	0.586	36%	0.364	S	S	*	.	H	α-helix	trans	-55.1	-38.7	-175.4	-169.1	-165.5	-168	0	0	112.3	F338 R343 K344	F338-M340 PolarHBondContact O-N 3.13Å; M340-R343 PolarHBondContact O-N 3.45Å; M340-K344 WeakPolarHBondContact O-CG 3.37Å; M340-K344 PolarHBondContact O-N 3.02Å
341	E	91	Very high	89.1	Confident	148 Å²	148	83.4 Å²	83.4	69%	0.692	40%	0.399	S	S	*	.	H	α-helix	trans	-64.7	-37.7	177.1	-67.4	162.2	179.4	0	0	112.5	P339 K344 R345	P339-E341 PolarHBondContact O-N 3.21Å; P339-E341 VanDerWaalsContact O-N 3.15Å; E341-K344 PolarHBondContact O-N 2.84Å; E341-R345 WeakPolarHBondContact O-CG 3.35Å; E341-R345 PolarHBondContact O-N 3.09Å
342	L	90.6	Very high	87.6	Confident	36 Å²	36	90.1 Å²	90.1	19%	0.188	43%	0.432	C	S	.	.	H	α-helix	trans	-67.2	-47.4	175.2	-178.6	58.3	0	0	0	110.7	F325 F338 P339 K344 R345 I346	F325-L342 HydrophobicContact CE2-CD1 4.01Å; F325-L342 HydrophobicContact CE2-CD2 4.28Å; F325-L342 HydrophobicContact CE2-CG 4.46Å; F325-L342 HydrophobicContact CZ-CD2 4.29Å; F338-L342 HydrophobicContact CB-CD2 4.1Å; F338-L342 HydrophobicContact CD2-CD2 3.92Å; F338-L342 HydrophobicContact CD2-CG 4.41Å; F338-L342 HydrophobicContact CE2-CD2 4.46Å; F338-L342 HydrophobicContact CG-CD2 3.96Å; P339-L342 HydrophobicContact CB-CB 4.39Å; P339-L342 WeakPolarHBondContact O-CA 3.33Å; P339-L342 WeakPolarHBondContact O-CB 3.4Å; P339-L342 PolarHBondContact O-N 3.07Å; L342-K344 VanDerWaalsContact C-N 3.28Å; L342-K344 PolarHBondContact O-N 2.95Å; L342-R345 WeakPolarHBondContact O-CB 2.81Å; L342-R345 PolarHBondContact O-N 2.87Å; L342-I346 HydrophobicContact CD1-CD1 4.2Å; L342-I346 HydrophobicContact CD1-CG1 4.3Å; L342-I346 HydrophobicContact CG-CD1 3.9Å; L342-I346 HydrophobicContact CG-CG1 4.45Å; L342-I346 WeakPolarHBondContact O-CG1 3.36Å; L342-I346 PolarHBondContact O-N 3.14Å
343	R	91.6	Very high	85.9	Confident	88 Å²	88	91.2 Å²	91.2	33%	0.332	44%	0.438	S	S	.	.	H	α-helix	trans	-58.4	-38.8	175.2	-71.2	-170.8	-80.5	137.6	-4.2	112.6	Y335 F338 P339 M340 A347	Y335-R343 HydrophobicContact CE1-CG 3.99Å; Y335-R343 HydrophobicContact CE2-CG 4.09Å; Y335-R343 WeakPolarHBondContact O-CD 3.29Å; F338-R343 HydrophobicContact CB-CG 3.86Å; F338-R343 PolarHBondContact O-NE 3.04Å; P339-R343 PolarHBondContact O-N 3.01Å; M340-R343 PolarHBondContact O-N 3.45Å; R343-A347 VanDerWaalsContact O-CB 3.32Å; R343-A347 WeakPolarHBondContact O-CB 3.41Å; R343-A347 PolarHBondContact O-N 3.48Å
344	K	89.1	Confident	83.6	Confident	121 Å²	121	98.6 Å²	98.6	53%	0.526	47%	0.474	S	S	.	.	H	α-helix	trans	-63.4	-39.8	173.5	-77.1	177.4	-179.8	174.7	0	112.4	M340 E341 L342 K348	M340-K344 WeakPolarHBondContact O-CG 3.37Å; M340-K344 PolarHBondContact O-N 3.02Å; E341-K344 PolarHBondContact O-N 2.84Å; L342-K344 VanDerWaalsContact C-N 3.28Å; L342-K344 PolarHBondContact O-N 2.95Å; K344-K348 WeakPolarHBondContact O-CG 3.41Å; K344-K348 PolarHBondContact O-N 3.33Å; K344-K348 VanDerWaalsContact O-N 3.11Å
345	R	88.5	Confident	83	Confident	158 Å²	158	103 Å²	103	60%	0.596	49%	0.494	S	S	*	.	H	α-helix	trans	-66.1	-47.3	175.8	-75.3	-173.1	-72	170.9	-3	111.7	E341 L342 A347 K348 M349	E341-R345 WeakPolarHBondContact O-CG 3.35Å; E341-R345 PolarHBondContact O-N 3.09Å; L342-R345 WeakPolarHBondContact O-CB 2.81Å; L342-R345 PolarHBondContact O-N 2.87Å; R345-A347 VanDerWaalsContact C-N 3.34Å; R345-A347 PolarHBondContact O-N 3.47Å; R345-K348 WeakPolarHBondContact O-CB 3.27Å; R345-K348 PolarHBondContact O-N 2.99Å; R345-K348 VanDerWaalsContact O-N 3.09Å; R345-M349 WeakPolarHBondContact O-CG 3.49Å; R345-M349 PolarHBondContact O-N 3.14Å
346	I	86.3	Confident	82.5	Confident	9 Å²	9	107.1 Å²	107.1	5%	0.046	51%	0.514	C	S	.	.	H	α-helix	trans	-59	-46.3	177.1	-62	166.1	0	0	0	110.5	F325 Y335 F338 L342 K348 M349 H350	F325-I346 HydrophobicContact CB-CD1 4.48Å; F325-I346 HydrophobicContact CD2-CD1 3.36Å; F325-I346 HydrophobicContact CD2-CG1 3.85Å; F325-I346 HydrophobicContact CE2-CD1 3.89Å; F325-I346 HydrophobicContact CE2-CG1 4.28Å; F325-I346 HydrophobicContact CG-CD1 4.2Å; Y335-I346 HydrophobicContact CE2-CD1 4.01Å; Y335-I346 HydrophobicContact CE2-CG2 4.24Å; F338-I346 HydrophobicContact CD2-CD1 3.9Å; F338-I346 HydrophobicContact CE2-CD1 4.18Å; L342-I346 HydrophobicContact CD1-CD1 4.2Å; L342-I346 HydrophobicContact CD1-CG1 4.3Å; L342-I346 HydrophobicContact CG-CD1 3.9Å; L342-I346 HydrophobicContact CG-CG1 4.45Å; L342-I346 WeakPolarHBondContact O-CG1 3.36Å; L342-I346 PolarHBondContact O-N 3.14Å; I346-K348 VanDerWaalsContact C-N 3.26Å; I346-K348 PolarHBondContact O-N 2.8Å; I346-M349 PolarHBondContact O-N 3.32Å; I346-M349 VanDerWaalsContact O-N 3.12Å; I346-H350 PolarHBondContact O-CD2 3.25Å; I346-H350 PolarHBondContact O-N 3.06Å; I346-H350 VanDerWaalsContact O-N 3.1Å
347	A	84.9	Confident	81.8	Confident	44 Å²	44	107.4 Å²	107.4	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-65.3	-25.3	177.4	0	0	0	0	0	114	R343 R345 K351	R343-A347 VanDerWaalsContact O-CB 3.32Å; R343-A347 WeakPolarHBondContact O-CB 3.41Å; R343-A347 PolarHBondContact O-N 3.48Å; R345-A347 VanDerWaalsContact C-N 3.34Å; R345-A347 PolarHBondContact O-N 3.47Å; A347-K351 WeakPolarHBondContact O-CG 3.24Å
348	K	84.4	Confident	81.1	Confident	151 Å²	151	105.3 Å²	105.3	66%	0.657	50%	0.503	S	S	*	.	H	α-helix	trans	-75.1	-38.1	171.2	-79.4	-176.3	178.4	-172.5	0	111.8	K344 R345 I346 K351 M352	K344-K348 WeakPolarHBondContact O-CG 3.41Å; K344-K348 PolarHBondContact O-N 3.33Å; K344-K348 VanDerWaalsContact O-N 3.11Å; R345-K348 WeakPolarHBondContact O-CB 3.27Å; R345-K348 PolarHBondContact O-N 2.99Å; R345-K348 VanDerWaalsContact O-N 3.09Å; I346-K348 VanDerWaalsContact C-N 3.26Å; I346-K348 PolarHBondContact O-N 2.8Å; K348-K351 PolarHBondContact O-N 3.46Å; K348-M352 PolarHBondContact O-N 3.33Å
349	M	79.4	Confident	80.4	Confident	98 Å²	98	110.1 Å²	110.1	48%	0.483	53%	0.527	S	S	.	.	H	α-helix	trans	-62.3	-47.6	177.1	-68.5	175.2	64.8	0	0	111.2	R345 I346 K351 M352	R345-M349 WeakPolarHBondContact O-CG 3.49Å; R345-M349 PolarHBondContact O-N 3.14Å; I346-M349 PolarHBondContact O-N 3.32Å; I346-M349 VanDerWaalsContact O-N 3.12Å; M349-K351 PolarHBondContact O-N 2.86Å; M349-K351 VanDerWaalsContact O-N 3.14Å; M349-M352 HydrophobicContact CG-CE 4.5Å; M349-M352 PolarHBondContact O-N 2.74Å
350	H	74.2	Confident	79.6	Confident	66 Å²	66	111.9 Å²	111.9	31%	0.306	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.1	176.5	-74	-60.2	0	0	0	114.4	E324 I346	E324-H350 PolarHBondContact O-NE2 3.12Å; E324-H350 IonicContact OE2-CE1 2.7Å; I346-H350 PolarHBondContact O-CD2 3.25Å; I346-H350 PolarHBondContact O-N 3.06Å; I346-H350 VanDerWaalsContact O-N 3.1Å
351	K	72.6	Confident	78.8	Confident	170 Å²	170	111.4 Å²	111.4	74%	0.739	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-10.3	175.8	-75.8	-177.5	178.2	-168.3	0	114.1	A347 K348 M349	A347-K351 WeakPolarHBondContact O-CG 3.24Å; K348-K351 PolarHBondContact O-N 3.46Å; M349-K351 PolarHBondContact O-N 2.86Å; M349-K351 VanDerWaalsContact O-N 3.14Å
352	M	66	Low	77.9	Confident	146 Å²	146	108.5 Å²	108.5	72%	0.719	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-10.1	178.1	-67.6	-174	-65	0	0	112.4	K348 M349	K348-M352 PolarHBondContact O-N 3.33Å; M349-M352 HydrophobicContact CG-CE 4.5Å; M349-M352 PolarHBondContact O-N 2.74Å
353	E	57.5	Low	76.8	Confident	120 Å²	120	114.6 Å²	114.6	56%	0.561	54%	0.535	S	S	*	.			trans	-103.3	-5.8	-177	-68.3	178.3	164.6	0	0	113.5
354	D	47.7	Very low	75.5	Confident	204 Å²	204	117 Å²	117	100%	1.091	55%	0.553	S	S	*	*			trans	-95.4	0	165.8	-71.1	-30.3	0	0	0	110.1

Retrieved 354 of 354 residues in 370.9 ms (Link to these results)

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