G4M0Z8_SCHMA Loading...

Rhombotin, putative

AlphaFold DB , UniProt , Accession G4M0Z8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 287 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	37.3	Very low	239 Å²	239	159.2 Å²	159.2	100%	1.177	84%	0.843	S	S	*	*				0	110	0	-59.5	-83.1	-149.2	0	0	105.6
2	L	38.8	Very low	37.2	Very low	158 Å²	158	160.2 Å²	160.2	83%	0.827	85%	0.849	S	S	*	*			cis	-130.4	146.2	26.5	-78.3	84.2	0	0	0	111.5
3	N	30.8	Very low	37.3	Very low	171 Å²	171	161.1 Å²	161.1	91%	0.914	85%	0.853	S	S	*	*			trans	-87.2	127.2	163.9	-73.6	-20.8	0	0	0	108.9
4	T	38.5	Very low	37.4	Very low	124 Å²	124	160.7 Å²	160.7	76%	0.761	85%	0.851	S	S	*	*			trans	-109	103.3	170	38.9	0	0	0	0	109.4
5	A	42.3	Very low	37.6	Very low	95 Å²	95	158.3 Å²	158.3	79%	0.785	84%	0.839	S	S	*	*			trans	-76.9	118.2	169.7	0	0	0	0	0	109.1
6	K	43.9	Very low	37.9	Very low	184 Å²	184	154.9 Å²	154.9	80%	0.8	83%	0.829	S	S	*	*			trans	-90.2	113.3	171.5	-70	-179.3	176.3	-178.7	0	108.4
7	N	36.5	Very low	38.4	Very low	151 Å²	151	152 Å²	152	81%	0.807	81%	0.813	S	S	*	*			trans	-88.4	109.2	166.6	-74.7	-29.9	0	0	0	108.1
8	E	38.5	Very low	38.8	Very low	174 Å²	174	149.6 Å²	149.6	81%	0.813	81%	0.81	S	S	*	*			trans	-94.4	104.9	169.6	-75.2	173.3	170.2	0	0	108.3
9	I	38.4	Very low	39.4	Very low	152 Å²	152	149.4 Å²	149.4	78%	0.779	81%	0.807	S	S	*	*			trans	-90.6	117.2	172.3	-65.4	172.2	0	0	0	107.7
10	V	33	Very low	39.7	Very low	137 Å²	137	148.2 Å²	148.2	83%	0.83	80%	0.797	S	S	*	*			trans	-95.5	104.2	172	176.5	0	0	0	0	108.1
11	E	36.1	Very low	40.3	Very low	166 Å²	166	145.6 Å²	145.6	78%	0.776	79%	0.791	S	S	*	*			trans	-149.7	114.4	160.5	-74.4	-168	162.9	0	0	109.9
12	N	35.7	Very low	42	Very low	171 Å²	171	142.3 Å²	142.3	91%	0.914	77%	0.773	S	S	*	*			trans	-159.2	69.8	151.7	-96.7	-34.4	0	0	0	108
13	L	39.3	Very low	44.1	Very low	172 Å²	172	139.2 Å²	139.2	90%	0.901	76%	0.756	S	S	*	*			trans	-83.4	121	166.6	-77.1	167.9	0	0	0	109	N15	L13-N15 PolarHBondContact O-N 3.23Å
14	N	39	Very low	46.9	Very low	156 Å²	156	133 Å²	133	83%	0.834	72%	0.721	S	S	*	*			trans	-12.8	112.2	164.5	-66.8	-38	0	0	0	115.9	P16	N14-P16 VanDerWaalsContact O-CD 3.26Å; N14-P16 WeakPolarHBondContact O-CD 3.21Å
15	N	40	Very low	49.5	Very low	125 Å²	125	132.3 Å²	132.3	67%	0.668	71%	0.708	S	S	*	*			trans	-54.6	109.6	176.4	-177.9	13	0	0	0	113.2	L13 N17	L13-N15 PolarHBondContact O-N 3.23Å; N15-N17 VanDerWaalsContact C-N 3.26Å; N15-N17 PolarHBondContact O-N 3.09Å; N15-N17 VanDerWaalsContact OD1-CB 3.25Å; N15-N17 WeakPolarHBondContact OD1-CB 3.04Å; N15-N17 PolarHBondContact OD1-N 3.34Å; N15-N17 PolarHBondContact OD1-ND2 3.09Å
16	P	42.6	Very low	51.9	Low	103 Å²	103	127.8 Å²	127.8	67%	0.669	67%	0.671	S	S	*	*			trans	-83.1	10.8	178.8	33.4	-32.7	0	0	0	114.1	N14 S18	N14-P16 VanDerWaalsContact O-CD 3.26Å; N14-P16 WeakPolarHBondContact O-CD 3.21Å; P16-S18 VanDerWaalsContact C-N 3.29Å; P16-S18 PolarHBondContact O-N 3.46Å
17	N	45.4	Very low	54.2	Low	106 Å²	106	120.3 Å²	120.3	57%	0.567	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	6.5	-171.8	-71.2	-50.1	0	0	0	116.3	N15	N15-N17 VanDerWaalsContact C-N 3.26Å; N15-N17 PolarHBondContact O-N 3.09Å; N15-N17 VanDerWaalsContact OD1-CB 3.25Å; N15-N17 WeakPolarHBondContact OD1-CB 3.04Å; N15-N17 PolarHBondContact OD1-N 3.34Å; N15-N17 PolarHBondContact OD1-ND2 3.09Å
18	S	45.7	Very low	56.8	Low	108 Å²	108	118.7 Å²	118.7	76%	0.755	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.7	-9.2	179	-164.9	0	0	0	0	115.7	P16	P16-S18 VanDerWaalsContact C-N 3.29Å; P16-S18 PolarHBondContact O-N 3.46Å
19	I	50.6	Low	59.4	Low	147 Å²	147	112.8 Å²	112.8	75%	0.754	61%	0.605	S	S	*	*	S	Bend	trans	-92.8	-6	175.4	-55	174.8	0	0	0	111.2	S21	I19-S21 PolarHBondContact O-N 3.49Å
20	M	46	Very low	62	Low	124 Å²	124	111.8 Å²	111.8	61%	0.611	59%	0.594	S	S	*	*			trans	-77.8	23.5	-179	-146.6	139.1	60.9	0	0	113.2	E22	M20-E22 PolarHBondContact O-N 3.42Å
21	S	51.5	Low	64.9	Low	95 Å²	95	111.3 Å²	111.3	66%	0.664	58%	0.583	S	S	*	*	S	Bend	trans	-71.9	96.7	173.3	55.9	0	0	0	0	109.6	I19	I19-S21 PolarHBondContact O-N 3.49Å
22	E	69.8	Low	67.6	Low	170 Å²	170	105 Å²	105	79%	0.794	56%	0.557	S	S	*	*			trans	62.7	41.5	168.5	-68.8	-176.7	168.6	0	0	117.9	M20 K24	M20-E22 PolarHBondContact O-N 3.42Å; E22-K24 PolarHBondContact O-N 3.05Å
23	L	82.6	Confident	70.2	Confident	92 Å²	92	97.5 Å²	97.5	48%	0.482	52%	0.517	S	S	.	.			trans	-65.5	118	163.1	-65.2	177.7	0	0	0	110	F25	L23-F25 HydrophobicContact CB-CD2 4.47Å; L23-F25 HydrophobicContact CB-CE2 3.71Å; L23-F25 HydrophobicContact CB-CZ 4.1Å; L23-F25 HydrophobicContact CD1-CZ 4.44Å; L23-F25 WeakPolarHBondContact O-CD2 3.47Å
24	K	89.3	Confident	72.6	Confident	42 Å²	42	98.2 Å²	98.2	18%	0.183	51%	0.513	C	S	.	.			trans	-87.4	120.6	178.3	-67.8	169.1	-176.6	148.4	0	109.2	E22 C32 I33 Y38 Y45	E22-K24 PolarHBondContact O-N 3.05Å; K24-C32 WeakPolarHBondContact O-CA 3.42Å; K24-I33 HydrophobicContact CB-CB 4.38Å; K24-I33 HydrophobicContact CB-CD1 4.31Å; K24-I33 PolarHBondContact O-N 3.36Å; K24-Y38 HydrophobicContact CD-CD2 4.39Å; K24-Y38 HydrophobicContact CD-CE1 4.22Å; K24-Y38 HydrophobicContact CD-CE2 3.9Å; K24-Y38 PolarHBondContact NZ-OH 3.23Å; K24-Y45 HydrophobicContact CB-CD1 4.39Å; K24-Y45 HydrophobicContact CB-CD2 4.07Å; K24-Y45 HydrophobicContact CB-CE2 4.47Å; K24-Y45 HydrophobicContact CB-CG 4.03Å; K24-Y45 HydrophobicContact CD-CD1 4.03Å; K24-Y45 HydrophobicContact CD-CE1 3.91Å; K24-Y45 HydrophobicContact CG-CD1 4.12Å; K24-Y45 HydrophobicContact CG-CD2 4.1Å; K24-Y45 HydrophobicContact CG-CE1 4.03Å; K24-Y45 HydrophobicContact CG-CE2 4.02Å; K24-Y45 HydrophobicContact CG-CG 4.15Å
25	F	92.6	Very high	74.8	Confident	108 Å²	108	95.2 Å²	95.2	47%	0.474	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-104.4	133.3	178.6	-68.1	-88.9	0	0	0	111	L23 S27 Q31 C32	L23-F25 HydrophobicContact CB-CD2 4.47Å; L23-F25 HydrophobicContact CB-CE2 3.71Å; L23-F25 HydrophobicContact CB-CZ 4.1Å; L23-F25 HydrophobicContact CD1-CZ 4.44Å; L23-F25 WeakPolarHBondContact O-CD2 3.47Å; F25-S27 PolarHBondContact O-N 3.46Å; F25-Q31 WeakPolarHBondContact CA-O 3.29Å; F25-C32 HydrophobicContact CD1-CB 4.32Å; F25-C32 HydrophobicContact CE1-CB 4.11Å
26	C	94.2	Very high	77.1	Confident	1 Å²	1	91.5 Å²	91.5	1%	0.007	48%	0.478	C	S	.	.	B	Isolated β-bridge	trans	-68.8	130.9	177.6	175	0	0	0	0	111.3	K28 K30 Q31 I33 Y45 H47 C50	C26-K28 VanDerWaalsContact C-N 3.29Å; C26-K28 PolarHBondContact O-N 2.83Å; C26-K28 PolarHBondContact SG-N 3.09Å; C26-K30 WeakPolarHBondContact O-CA 3.5Å; C26-K30 PolarHBondContact O-N 3.46Å; C26-Q31 PolarHBondContact N-O 3.07Å; C26-I33 HydrophobicContact CB-CD1 4.41Å; C26-I33 HydrophobicContact CB-CG1 4.12Å; C26-Y45 CarbonylContact C-O 3.59Å; C26-Y45 VanDerWaalsContact CA-O 3.3Å; C26-Y45 WeakPolarHBondContact CA-O 3.24Å; C26-H47 WeakPolarHBondContact CB-CE1 3.47Å; C26-H47 VanDerWaalsContact CB-ND1 3.3Å; C26-H47 WeakPolarHBondContact CB-ND1 3.36Å; C26-H47 PolarHBondContact SG-ND1 3.34Å; C26-C50 WeakPolarHBondContact SG-CB 3.49Å; C26-C50 VanDerWaalsContact SG-SG 3.68Å
27	S	91.2	Very high	79.3	Confident	26 Å²	26	90 Å²	90	18%	0.182	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-30.9	-179.4	-168.4	0	0	0	0	113.9	F25 K30 Q44 Y45	F25-S27 PolarHBondContact O-N 3.46Å; S27-K30 WeakPolarHBondContact O-CD 3.18Å; S27-K30 WeakPolarHBondContact O-CE 3.3Å; S27-K30 PolarHBondContact O-NZ 2.96Å; S27-Q44 VanDerWaalsContact CB-OE1 3.24Å; S27-Q44 PolarHBondContact OG-OE1 2.95Å; S27-Y45 PolarHBondContact N-O 3.18Å
28	K	91.6	Very high	81.5	Confident	117 Å²	117	86 Å²	86	51%	0.509	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-65.3	178.5	-171.7	174.4	177.9	-178.5	0	112.5	C26 W46 C50	C26-K28 VanDerWaalsContact C-N 3.29Å; C26-K28 PolarHBondContact O-N 2.83Å; C26-K28 PolarHBondContact SG-N 3.09Å; K28-W46 HydrophobicContact CB-CE3 4.12Å; K28-W46 HydrophobicContact CB-CZ3 3.87Å; K28-C50 HydrophobicContact CB-CB 4.01Å; K28-C50 HydrophobicContact CD-CB 4.12Å; K28-C50 WeakPolarHBondContact CD-O 3.4Å
29	C	93.6	Very high	83.6	Confident	51 Å²	51	80.9 Å²	80.9	35%	0.345	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-6.5	-171.6	66.4	0	0	0	0	114.2	Q31 H47	C29-Q31 HydrophobicContact CB-CG 4.41Å; C29-Q31 PolarHBondContact O-N 3.31Å; C29-H47 PolarHBondContact SG-CE1 3.15Å; C29-H47 PolarHBondContact SG-ND1 2.81Å
30	K	92.7	Very high	85.5	Confident	130 Å²	130	76.7 Å²	76.7	57%	0.565	38%	0.381	S	S	*	.			trans	59.9	10.7	-178.7	-50.6	-54.1	-172.1	-172.1	0	114.9	C26 S27	C26-K30 WeakPolarHBondContact O-CA 3.5Å; C26-K30 PolarHBondContact O-N 3.46Å; S27-K30 WeakPolarHBondContact O-CD 3.18Å; S27-K30 WeakPolarHBondContact O-CE 3.3Å; S27-K30 PolarHBondContact O-NZ 2.96Å
31	Q	93.5	Very high	87.4	Confident	127 Å²	127	70.9 Å²	70.9	59%	0.593	35%	0.353	S	S	*	.			trans	-84.4	153.6	174.3	-60	-57.2	-37.9	0	0	111	F25 C26 C29	F25-Q31 WeakPolarHBondContact CA-O 3.29Å; C26-Q31 PolarHBondContact N-O 3.07Å; C29-Q31 HydrophobicContact CB-CG 4.41Å; C29-Q31 PolarHBondContact O-N 3.31Å
32	C	92.6	Very high	89	Confident	33 Å²	33	69.5 Å²	69.5	22%	0.223	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-66.2	132.9	171.9	-175.3	0	0	0	0	109.9	K24 F25 K34	K24-C32 WeakPolarHBondContact O-CA 3.42Å; F25-C32 HydrophobicContact CD1-CB 4.32Å; F25-C32 HydrophobicContact CE1-CB 4.11Å; C32-K34 PolarHBondContact O-N 3.04Å
33	I	91.5	Very high	89.6	Confident	14 Å²	14	67.3 Å²	67.3	7%	0.072	34%	0.34	C	S	.	.			trans	-75.6	108.6	174.2	-57.5	-178.9	0	0	0	107.7	K24 C26 E35 Y38 H47	K24-I33 HydrophobicContact CB-CB 4.38Å; K24-I33 HydrophobicContact CB-CD1 4.31Å; K24-I33 PolarHBondContact O-N 3.36Å; C26-I33 HydrophobicContact CB-CD1 4.41Å; C26-I33 HydrophobicContact CB-CG1 4.12Å; I33-E35 WeakPolarHBondContact CG2-OE2 3.44Å; I33-Y38 HydrophobicContact CG2-CG 4.46Å; I33-H47 WeakPolarHBondContact CA-NE2 3.41Å; I33-H47 WeakPolarHBondContact CG1-NE2 3.5Å
34	K	88.9	Confident	89.9	Confident	188 Å²	188	66.5 Å²	66.5	82%	0.817	33%	0.334	S	S	*	.			trans	-101	-13.5	179.7	-64.8	-179.9	-177	178.6	0	112	C32	C32-K34 PolarHBondContact O-N 3.04Å
35	E	85.7	Confident	90.1	Very high	92 Å²	92	68.7 Å²	68.7	43%	0.43	34%	0.342	S	S	.	.	S	Bend	trans	-68.5	159.1	-178.9	-57.7	85.2	173.4	0	0	111.8	I33 H37 H47 T227	I33-E35 WeakPolarHBondContact CG2-OE2 3.44Å; E35-H37 PolarHBondContact O-N 3.35Å; E35-H47 IonicContact OE1-CD2 2.86Å; E35-H47 IonicContact OE1-NE2 3.94Å; E35-H47 IonicContact OE2-CD2 2.82Å; E35-H47 PolarHBondContact OE2-CD2 3.13Å; E35-H47 IonicContact OE2-NE2 3.51Å; E35-T227 WeakPolarHBondContact O-CG2 3.17Å
36	S	86.7	Confident	90.1	Very high	48 Å²	48	64.7 Å²	64.7	34%	0.336	32%	0.324	S	S	.	.	S	Bend	trans	-71.1	-18.8	175.8	52.4	0	0	0	0	113.5	K226 T227	S36-K226 CarbonylContact O-C 3.58Å; S36-K226 VanDerWaalsContact O-CA 3.32Å; S36-K226 WeakPolarHBondContact O-CA 3.44Å; S36-K226 WeakPolarHBondContact O-CG 3.26Å; S36-T227 WeakPolarHBondContact CA-OG1 3.41Å; S36-T227 PolarHBondContact O-N 2.9Å; S36-T227 PolarHBondContact O-OG1 3.32Å
37	H	89.2	Confident	90.1	Very high	70 Å²	70	65.4 Å²	65.4	32%	0.324	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.5	-177.6	-53.3	82.8	0	0	0	110.9	E35 E48 C225	E35-H37 PolarHBondContact O-N 3.35Å; H37-E48 WeakPolarHBondContact CB-OE1 3.37Å; H37-C225 WeakPolarHBondContact CA-O 3.28Å
38	Y	91.2	Very high	90.1	Very high	22 Å²	22	66.7 Å²	66.7	9%	0.086	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	163.3	179.7	61.2	-84.3	0	0	0	110.6	K24 I33 Y45 C225 T227	K24-Y38 HydrophobicContact CD-CD2 4.39Å; K24-Y38 HydrophobicContact CD-CE1 4.22Å; K24-Y38 HydrophobicContact CD-CE2 3.9Å; K24-Y38 PolarHBondContact NZ-OH 3.23Å; I33-Y38 HydrophobicContact CG2-CG 4.46Å; Y38-Y45 AromaticContact CD2-CD1 3.91Å; Y38-Y45 HydrophobicContact CD2-CD1 3.91Å; Y38-Y45 AromaticContact CE2-CD1 3.83Å; Y38-Y45 HydrophobicContact CE2-CD1 3.83Å; Y38-Y45 HydrophobicContact CE2-CE1 4.03Å; Y38-C225 HydrophobicContact CD1-CB 4.28Å; Y38-C225 HydrophobicContact CD2-CB 3.92Å; Y38-C225 HydrophobicContact CE1-CB 3.77Å; Y38-C225 HydrophobicContact CE2-CB 3.4Å; Y38-C225 VanDerWaalsContact CE2-CB 3.4Å; Y38-C225 HydrophobicContact CG-CB 4.33Å; Y38-C225 PolarHBondContact N-O 3.38Å; Y38-C225 PolarHBondContact O-N 2.99Å; Y38-T227 HydrophobicContact CD1-CG2 3.86Å; Y38-T227 HydrophobicContact CE1-CG2 3.68Å
39	L	91.5	Very high	90.1	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.1	178.1	-51.7	176.7	0	0	0	109.4	Y45 W46 E48 L51 A61 F222 K224	L39-Y45 CarbonylContact O-C 3.58Å; L39-Y45 WeakPolarHBondContact O-CA 3.44Å; L39-W46 HydrophobicContact CB-CB 4.28Å; L39-W46 PolarHBondContact N-O 3.24Å; L39-W46 PolarHBondContact O-N 3.19Å; L39-E48 HydrophobicContact CD2-CG 4.24Å; L39-E48 HydrophobicContact CG-CG 4.15Å; L39-L51 HydrophobicContact CB-CD2 4.35Å; L39-L51 HydrophobicContact CD1-CB 3.86Å; L39-L51 HydrophobicContact CD1-CD2 3.6Å; L39-L51 HydrophobicContact CD1-CG 4.35Å; L39-A61 HydrophobicContact CD1-CB 3.88Å; L39-F222 HydrophobicContact CD1-CD2 4.42Å; L39-F222 HydrophobicContact CD2-CD2 4.02Å; L39-F222 HydrophobicContact CD2-CE2 4.36Å; L39-K224 HydrophobicContact CD2-CB 3.97Å; L39-K224 HydrophobicContact CD2-CG 4.18Å
40	L	89.1	Confident	90.1	Very high	59 Å²	59	63.6 Å²	63.6	31%	0.309	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.9	166.7	-179.8	64.7	0	0	0	108	Y45 F222 T223	L40-Y45 HydrophobicContact CD1-CD1 4.02Å; L40-Y45 HydrophobicContact CD1-CE1 3.9Å; L40-F222 VanDerWaalsContact O-CA 3.3Å; L40-F222 WeakPolarHBondContact O-CA 3.45Å; L40-T223 PolarHBondContact N-O 2.86Å; L40-T223 PolarHBondContact O-N 2.87Å
41	A	87	Confident	90.2	Very high	2 Å²	2	57.4 Å²	57.4	2%	0.017	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	132.5	-176.5	0	0	0	0	0	110	C43 Q44 W46 L51 F67 F222	A41-C43 VanDerWaalsContact C-N 3.3Å; A41-C43 PolarHBondContact O-N 3.21Å; A41-Q44 PolarHBondContact N-O 2.93Å; A41-Q44 WeakPolarHBondContact O-CB 3.49Å; A41-Q44 PolarHBondContact O-N 3.03Å; A41-Q44 VanDerWaalsContact O-O 3.07Å; A41-W46 PolarHBondContact O-NE1 3.24Å; A41-L51 HydrophobicContact CB-CD2 4.32Å; A41-F67 HydrophobicContact CB-CE1 3.67Å; A41-F67 HydrophobicContact CB-CZ 3.52Å; A41-F222 HydrophobicContact CB-CB 3.69Å
42	D	83.9	Confident	90.2	Very high	66 Å²	66	53.6 Å²	53.6	35%	0.353	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	46.1	-175.8	-172.2	37.7	0	0	0	113	Q44 I69	D42-Q44 WeakPolarHBondContact O-CG 3.38Å; D42-Q44 PolarHBondContact O-N 2.95Å; D42-I69 HydrophobicContact CB-CD1 3.61Å
43	C	83.2	Confident	90.3	Very high	124 Å²	124	52 Å²	52	84%	0.838	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	20.4	-175.8	-61.8	0	0	0	0	114.8	A41	A41-C43 VanDerWaalsContact C-N 3.3Å; A41-C43 PolarHBondContact O-N 3.21Å
44	Q	89.3	Confident	90.4	Very high	76 Å²	76	56 Å²	56	36%	0.355	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.6	-179.2	-68.5	172.9	14.8	0	0	111.3	S27 A41 D42 W46	S27-Q44 VanDerWaalsContact CB-OE1 3.24Å; S27-Q44 PolarHBondContact OG-OE1 2.95Å; A41-Q44 PolarHBondContact N-O 2.93Å; A41-Q44 WeakPolarHBondContact O-CB 3.49Å; A41-Q44 PolarHBondContact O-N 3.03Å; A41-Q44 VanDerWaalsContact O-O 3.07Å; D42-Q44 WeakPolarHBondContact O-CG 3.38Å; D42-Q44 PolarHBondContact O-N 2.95Å; Q44-W46 VanDerWaalsContact O-CD1 3.23Å; Q44-W46 PolarHBondContact O-NE1 3.46Å
45	Y	92.2	Very high	90.7	Very high	88 Å²	88	49.5 Å²	49.5	35%	0.345	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	143.4	177.5	-53.5	-74.8	0	0	0	111.6	K24 C26 S27 Y38 L39 L40	K24-Y45 HydrophobicContact CB-CD1 4.39Å; K24-Y45 HydrophobicContact CB-CD2 4.07Å; K24-Y45 HydrophobicContact CB-CE2 4.47Å; K24-Y45 HydrophobicContact CB-CG 4.03Å; K24-Y45 HydrophobicContact CD-CD1 4.03Å; K24-Y45 HydrophobicContact CD-CE1 3.91Å; K24-Y45 HydrophobicContact CG-CD1 4.12Å; K24-Y45 HydrophobicContact CG-CD2 4.1Å; K24-Y45 HydrophobicContact CG-CE1 4.03Å; K24-Y45 HydrophobicContact CG-CE2 4.02Å; K24-Y45 HydrophobicContact CG-CG 4.15Å; C26-Y45 CarbonylContact C-O 3.59Å; C26-Y45 VanDerWaalsContact CA-O 3.3Å; C26-Y45 WeakPolarHBondContact CA-O 3.24Å; S27-Y45 PolarHBondContact N-O 3.18Å; Y38-Y45 AromaticContact CD2-CD1 3.91Å; Y38-Y45 HydrophobicContact CD2-CD1 3.91Å; Y38-Y45 AromaticContact CE2-CD1 3.83Å; Y38-Y45 HydrophobicContact CE2-CD1 3.83Å; Y38-Y45 HydrophobicContact CE2-CE1 4.03Å; L39-Y45 CarbonylContact O-C 3.58Å; L39-Y45 WeakPolarHBondContact O-CA 3.44Å; L40-Y45 HydrophobicContact CD1-CD1 4.02Å; L40-Y45 HydrophobicContact CD1-CE1 3.9Å
46	W	93.7	Very high	91.1	Very high	23 Å²	23	48.3 Å²	48.3	9%	0.087	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	140.6	-179.9	-53.4	78.2	0	0	0	110.6	K28 L39 A41 Q44 L51	K28-W46 HydrophobicContact CB-CE3 4.12Å; K28-W46 HydrophobicContact CB-CZ3 3.87Å; L39-W46 HydrophobicContact CB-CB 4.28Å; L39-W46 PolarHBondContact N-O 3.24Å; L39-W46 PolarHBondContact O-N 3.19Å; A41-W46 PolarHBondContact O-NE1 3.24Å; Q44-W46 VanDerWaalsContact O-CD1 3.23Å; Q44-W46 PolarHBondContact O-NE1 3.46Å; W46-L51 HydrophobicContact CB-CB 4.02Å; W46-L51 HydrophobicContact CD2-CB 4.48Å; W46-L51 HydrophobicContact CD2-CD1 3.73Å; W46-L51 HydrophobicContact CE3-CB 4.38Å; W46-L51 HydrophobicContact CE3-CD1 3.82Å; W46-L51 HydrophobicContact CG-CB 4.34Å; W46-L51 HydrophobicContact CG-CD1 4.1Å; W46-L51 HydrophobicContact CZ2-CD1 4.47Å; W46-L51 HydrophobicContact CZ3-CD1 4.22Å
47	H	93.9	Very high	91.5	Very high	17 Å²	17	50.5 Å²	50.5	8%	0.079	27%	0.267	C	S	.	.			trans	-63.2	149	159.3	-54.7	115.9	0	0	0	109.2	C26 C29 I33 E35 D49 C50 L51	C26-H47 WeakPolarHBondContact CB-CE1 3.47Å; C26-H47 VanDerWaalsContact CB-ND1 3.3Å; C26-H47 WeakPolarHBondContact CB-ND1 3.36Å; C26-H47 PolarHBondContact SG-ND1 3.34Å; C29-H47 PolarHBondContact SG-CE1 3.15Å; C29-H47 PolarHBondContact SG-ND1 2.81Å; I33-H47 WeakPolarHBondContact CA-NE2 3.41Å; I33-H47 WeakPolarHBondContact CG1-NE2 3.5Å; E35-H47 IonicContact OE1-CD2 2.86Å; E35-H47 IonicContact OE1-NE2 3.94Å; E35-H47 IonicContact OE2-CD2 2.82Å; E35-H47 PolarHBondContact OE2-CD2 3.13Å; E35-H47 IonicContact OE2-NE2 3.51Å; H47-D49 PolarHBondContact O-N 3.48Å; H47-C50 HydrophobicContact CB-CB 3.8Å; H47-C50 PolarHBondContact ND1-SG 2.87Å; H47-C50 PolarHBondContact O-N 2.96Å; H47-L51 PolarHBondContact O-N 3.3Å; H47-L51 VanDerWaalsContact O-N 3.17Å
48	E	91.2	Very high	91.7	Very high	53 Å²	53	48.7 Å²	48.7	25%	0.248	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-40	174.2	-63.5	-170.4	-178.3	0	0	111.3	H37 L39 C50 K224	H37-E48 WeakPolarHBondContact CB-OE1 3.37Å; L39-E48 HydrophobicContact CD2-CG 4.24Å; L39-E48 HydrophobicContact CG-CG 4.15Å; E48-C50 VanDerWaalsContact C-N 3.34Å; E48-C50 PolarHBondContact O-N 3.12Å; E48-K224 WeakPolarHBondContact OE1-CE 3.45Å; E48-K224 IonicContact OE1-NZ 2.74Å; E48-K224 PolarHBondContact OE1-NZ 2.83Å; E48-K224 IonicContact OE2-NZ 3.68Å; E48-K224 PolarHBondContact OE2-NZ 3.47Å
49	D	92.1	Very high	91.8	Very high	83 Å²	83	51.9 Å²	51.9	44%	0.444	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-18	175.8	-83.3	-49.3	0	0	0	114.7	H47 R52 R59	H47-D49 PolarHBondContact O-N 3.48Å; D49-R52 WeakPolarHBondContact O-CD 3.19Å; D49-R52 WeakPolarHBondContact O-CG 3.19Å; D49-R52 PolarHBondContact O-NE 2.9Å; D49-R52 IonicContact OD1-NH2 3.39Å; D49-R52 PolarHBondContact OD1-NH2 2.9Å; D49-R59 IonicContact OD1-CZ 3.37Å; D49-R59 IonicContact OD1-NE 2.94Å; D49-R59 PolarHBondContact OD1-NE 3.31Å; D49-R59 IonicContact OD1-NH2 3.15Å; D49-R59 PolarHBondContact OD1-NH2 3.01Å
50	C	94.1	Very high	91.8	Very high	19 Å²	19	51.9 Å²	51.9	13%	0.128	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-32.1	-179	-78.2	0	0	0	0	112.3	C26 K28 H47 E48 R52	C26-C50 WeakPolarHBondContact SG-CB 3.49Å; C26-C50 VanDerWaalsContact SG-SG 3.68Å; K28-C50 HydrophobicContact CB-CB 4.01Å; K28-C50 HydrophobicContact CD-CB 4.12Å; K28-C50 WeakPolarHBondContact CD-O 3.4Å; H47-C50 HydrophobicContact CB-CB 3.8Å; H47-C50 PolarHBondContact ND1-SG 2.87Å; H47-C50 PolarHBondContact O-N 2.96Å; E48-C50 VanDerWaalsContact C-N 3.34Å; E48-C50 PolarHBondContact O-N 3.12Å; C50-R52 PolarHBondContact O-N 2.95Å
51	L	93	Very high	91.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.274	C	S	.	.			trans	-78.5	89.2	179	-169.2	64.9	0	0	0	110.3	L39 A41 W46 H47 L60 F67 F222	L39-L51 HydrophobicContact CB-CD2 4.35Å; L39-L51 HydrophobicContact CD1-CB 3.86Å; L39-L51 HydrophobicContact CD1-CD2 3.6Å; L39-L51 HydrophobicContact CD1-CG 4.35Å; A41-L51 HydrophobicContact CB-CD2 4.32Å; W46-L51 HydrophobicContact CB-CB 4.02Å; W46-L51 HydrophobicContact CD2-CB 4.48Å; W46-L51 HydrophobicContact CD2-CD1 3.73Å; W46-L51 HydrophobicContact CE3-CB 4.38Å; W46-L51 HydrophobicContact CE3-CD1 3.82Å; W46-L51 HydrophobicContact CG-CB 4.34Å; W46-L51 HydrophobicContact CG-CD1 4.1Å; W46-L51 HydrophobicContact CZ2-CD1 4.47Å; W46-L51 HydrophobicContact CZ3-CD1 4.22Å; H47-L51 PolarHBondContact O-N 3.3Å; H47-L51 VanDerWaalsContact O-N 3.17Å; L51-L60 HydrophobicContact CD1-CD1 4.13Å; L51-L60 HydrophobicContact CD2-CB 4.37Å; L51-L60 HydrophobicContact CG-CB 4.1Å; L51-L60 HydrophobicContact CG-CD1 3.93Å; L51-L60 PolarHBondContact O-N 3.14Å; L51-F67 HydrophobicContact CD1-CE2 4.14Å; L51-F67 HydrophobicContact CD1-CZ 4.47Å; L51-F222 HydrophobicContact CD2-CB 4.34Å; L51-F222 HydrophobicContact CD2-CD1 4.33Å; L51-F222 HydrophobicContact CD2-CG 4.28Å
52	R	94.4	Very high	91.8	Very high	47 Å²	47	56.9 Å²	56.9	18%	0.177	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-125.8	154.7	-178.2	-63.9	-176.5	-179.1	-117.6	-0.9	111.7	D49 C50 I54 D57 A58 R59 S74	D49-R52 WeakPolarHBondContact O-CD 3.19Å; D49-R52 WeakPolarHBondContact O-CG 3.19Å; D49-R52 PolarHBondContact O-NE 2.9Å; D49-R52 IonicContact OD1-NH2 3.39Å; D49-R52 PolarHBondContact OD1-NH2 2.9Å; C50-R52 PolarHBondContact O-N 2.95Å; R52-I54 PolarHBondContact O-N 3.03Å; R52-D57 WeakPolarHBondContact CD-OD1 3.3Å; R52-D57 PolarHBondContact NH1-O 3.27Å; R52-D57 IonicContact NH1-OD2 3.51Å; R52-A58 CarbonylContact C-O 3.52Å; R52-A58 VanDerWaalsContact CA-O 3.24Å; R52-A58 WeakPolarHBondContact CA-O 3.16Å; R52-R59 HydrophobicContact CG-CG 4.41Å; R52-S74 PolarHBondContact O-OG 3.31Å
53	C	95	Very high	91.8	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.31	C	S	.	.			trans	-69.6	128.4	169.9	-178.8	0	0	0	0	110.2	C55 C56 D57 A58 L60 S74 C76 D79	C53-C55 PolarHBondContact O-N 3.12Å; C53-C55 PolarHBondContact SG-N 2.76Å; C53-C56 VanDerWaalsContact CB-SG 3.52Å; C53-C56 VanDerWaalsContact SG-SG 3.65Å; C53-D57 WeakPolarHBondContact O-CA 3.46Å; C53-D57 PolarHBondContact O-N 2.83Å; C53-A58 PolarHBondContact N-O 2.7Å; C53-L60 HydrophobicContact CB-CD2 4.15Å; C53-S74 CarbonylContact C-O 3.51Å; C53-S74 VanDerWaalsContact CA-O 3.29Å; C53-S74 WeakPolarHBondContact CA-O 3.37Å; C53-C76 HydrophobicContact CB-CB 4.07Å; C53-C76 PolarHBondContact SG-N 3.39Å; C53-D79 PolarHBondContact SG-OD2 2.81Å
54	I	94	Very high	91.6	Very high	99 Å²	99	56.1 Å²	56.1	51%	0.508	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.2	179.4	-63.9	-170.6	0	0	0	112.6	R52 M73 S74	R52-I54 PolarHBondContact O-N 3.03Å; I54-M73 HydrophobicContact CB-CE 4.31Å; I54-M73 HydrophobicContact CD1-CB 3.81Å; I54-M73 HydrophobicContact CD1-CG 4.06Å; I54-M73 HydrophobicContact CG2-CE 3.92Å; I54-S74 PolarHBondContact N-O 3.27Å
55	C	94	Very high	91.1	Very high	51 Å²	51	60.1 Å²	60.1	35%	0.345	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-38.9	-173.9	-65.6	0	0	0	0	114.3	C53 L75 D79	C53-C55 PolarHBondContact O-N 3.12Å; C53-C55 PolarHBondContact SG-N 2.76Å; C55-L75 HydrophobicContact CB-CD2 4.36Å; C55-L75 WeakPolarHBondContact SG-CD2 3.5Å; C55-D79 HydrophobicContact CB-CB 3.95Å; C55-D79 WeakPolarHBondContact CB-OD2 2.93Å
56	C	94.9	Very high	90.8	Very high	66 Å²	66	57.7 Å²	57.7	45%	0.446	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-0.5	-177.9	62.6	0	0	0	0	114.4	C53 A58 D79	C53-C56 VanDerWaalsContact CB-SG 3.52Å; C53-C56 VanDerWaalsContact SG-SG 3.65Å; C56-A58 PolarHBondContact O-N 2.77Å; C56-A58 VanDerWaalsContact SG-CB 3.51Å; C56-D79 WeakPolarHBondContact CB-OD2 3.44Å; C56-D79 PolarHBondContact SG-OD2 3.08Å
57	D	94.8	Very high	90.6	Very high	95 Å²	95	56.6 Å²	56.6	51%	0.508	30%	0.295	S	S	.	.			trans	55.9	11.5	-175.1	-160.4	48.7	0	0	0	115.5	R52 C53	R52-D57 WeakPolarHBondContact CD-OD1 3.3Å; R52-D57 PolarHBondContact NH1-O 3.27Å; R52-D57 IonicContact NH1-OD2 3.51Å; C53-D57 WeakPolarHBondContact O-CA 3.46Å; C53-D57 PolarHBondContact O-N 2.83Å
58	A	93.3	Very high	90.4	Very high	31 Å²	31	56.5 Å²	56.5	26%	0.256	29%	0.294	S	S	.	.			trans	-62.7	138.4	175.7	0	0	0	0	0	110.8	R52 C53 C56 L60 L63	R52-A58 CarbonylContact C-O 3.52Å; R52-A58 VanDerWaalsContact CA-O 3.24Å; R52-A58 WeakPolarHBondContact CA-O 3.16Å; C53-A58 PolarHBondContact N-O 2.7Å; C56-A58 PolarHBondContact O-N 2.77Å; C56-A58 VanDerWaalsContact SG-CB 3.51Å; A58-L60 PolarHBondContact O-N 3.08Å; A58-L63 HydrophobicContact CB-CD1 4.02Å
59	R	93.4	Very high	90.2	Very high	89 Å²	89	55.5 Å²	55.5	34%	0.336	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-67.7	113.6	172	-72	170.8	168.2	165.7	0.8	108.9	D49 R52 A61 E62	D49-R59 IonicContact OD1-CZ 3.37Å; D49-R59 IonicContact OD1-NE 2.94Å; D49-R59 PolarHBondContact OD1-NE 3.31Å; D49-R59 IonicContact OD1-NH2 3.15Å; D49-R59 PolarHBondContact OD1-NH2 3.01Å; R52-R59 HydrophobicContact CG-CG 4.41Å; R59-A61 PolarHBondContact O-N 3.26Å; R59-E62 HydrophobicContact CB-CB 4.31Å; R59-E62 HydrophobicContact CB-CG 3.97Å; R59-E62 WeakPolarHBondContact CD-OE1 3.22Å; R59-E62 IonicContact CZ-OE1 2.74Å; R59-E62 IonicContact NE-OE1 3.15Å; R59-E62 IonicContact NH1-OE1 3.57Å; R59-E62 PolarHBondContact NH1-OE1 3.19Å; R59-E62 PolarHBondContact O-N 2.82Å; R59-E62 VanDerWaalsContact O-N 3.1Å
60	L	92.3	Very high	90	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-65.5	-25.1	-179.5	-65.6	171.8	0	0	0	111.4	L51 C53 A58 E62 L63 F67 C76 F222	L51-L60 HydrophobicContact CD1-CD1 4.13Å; L51-L60 HydrophobicContact CD2-CB 4.37Å; L51-L60 HydrophobicContact CG-CB 4.1Å; L51-L60 HydrophobicContact CG-CD1 3.93Å; L51-L60 PolarHBondContact O-N 3.14Å; C53-L60 HydrophobicContact CB-CD2 4.15Å; A58-L60 PolarHBondContact O-N 3.08Å; L60-E62 PolarHBondContact O-N 3.37Å; L60-L63 HydrophobicContact CD2-CD1 4.29Å; L60-L63 PolarHBondContact O-N 2.99Å; L60-F67 HydrophobicContact CD1-CB 3.82Å; L60-F67 HydrophobicContact CD1-CD2 3.87Å; L60-F67 HydrophobicContact CD1-CG 4.04Å; L60-F67 HydrophobicContact CD2-CB 4.08Å; L60-F67 HydrophobicContact CG-CB 4.37Å; L60-C76 HydrophobicContact CD2-CB 3.73Å; L60-F222 WeakPolarHBondContact O-CE1 3.26Å; L60-F222 VanDerWaalsContact O-CZ 3.23Å; L60-F222 WeakPolarHBondContact O-CZ 3.15Å
61	A	87.7	Confident	89.6	Confident	35 Å²	35	57.6 Å²	57.6	29%	0.289	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-61.4	-26.6	173.9	0	0	0	0	0	114.5	L39 R59	L39-A61 HydrophobicContact CD1-CB 3.88Å; R59-A61 PolarHBondContact O-N 3.26Å
62	E	87.2	Confident	89.2	Confident	132 Å²	132	68.8 Å²	68.8	62%	0.617	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-97	-10.1	-176	-65.1	174.4	-179.5	0	0	112.9	R59 L60	R59-E62 HydrophobicContact CB-CB 4.31Å; R59-E62 HydrophobicContact CB-CG 3.97Å; R59-E62 WeakPolarHBondContact CD-OE1 3.22Å; R59-E62 IonicContact CZ-OE1 2.74Å; R59-E62 IonicContact NE-OE1 3.15Å; R59-E62 IonicContact NH1-OE1 3.57Å; R59-E62 PolarHBondContact NH1-OE1 3.19Å; R59-E62 PolarHBondContact O-N 2.82Å; R59-E62 VanDerWaalsContact O-N 3.1Å; L60-E62 PolarHBondContact O-N 3.37Å
63	L	84.9	Confident	89	Confident	94 Å²	94	68.9 Å²	68.9	49%	0.492	35%	0.354	S	S	.	.	S	Bend	trans	-92.8	-133.4	179	-61.6	177.6	0	0	0	109.7	A58 L60 C76	A58-L63 HydrophobicContact CB-CD1 4.02Å; L60-L63 HydrophobicContact CD2-CD1 4.29Å; L60-L63 PolarHBondContact O-N 2.99Å; L63-C76 HydrophobicContact CD1-CB 3.73Å
64	D	77.9	Confident	88.8	Confident	79 Å²	79	69.6 Å²	69.6	42%	0.422	36%	0.359	S	S	.	.			trans	-76.5	158.8	171.9	-57.3	-46.9	0	0	0	110.7	I66 F222	D64-I66 HydrophobicContact CB-CB 4.44Å; D64-I66 PolarHBondContact O-N 3.37Å; D64-F222 WeakPolarHBondContact O-CE1 3.45Å; D64-F222 WeakPolarHBondContact O-CZ 3.29Å
65	K	80.1	Confident	88.7	Confident	161 Å²	161	64.9 Å²	64.9	70%	0.7	34%	0.335	S	S	*	.	S	Bend	trans	-67.9	6.7	168.9	-63.6	178	-176.1	169.9	0	113.8	F222	K65-F222 VanDerWaalsContact C-CE1 3.46Å; K65-F222 WeakPolarHBondContact O-CD1 3.34Å; K65-F222 PolarHBondContact O-N 3.31Å
66	I	85.1	Confident	88.7	Confident	36 Å²	36	62.7 Å²	62.7	19%	0.185	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.2	-172.9	-60.4	170.2	0	0	0	108.5	D64 Y68 I219 Q220 L221	D64-I66 HydrophobicContact CB-CB 4.44Å; D64-I66 PolarHBondContact O-N 3.37Å; I66-Y68 HydrophobicContact CG2-CE2 4.29Å; I66-I219 HydrophobicContact CG2-CG2 3.6Å; I66-Q220 WeakPolarHBondContact CA-O 3.43Å; I66-L221 HydrophobicContact CG1-CD2 4.22Å
67	F	88.8	Confident	88.3	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	173.7	171.3	72.5	-68.4	0	0	0	109.2	A41 L51 L60 I69 Q220 F222	A41-F67 HydrophobicContact CB-CE1 3.67Å; A41-F67 HydrophobicContact CB-CZ 3.52Å; L51-F67 HydrophobicContact CD1-CE2 4.14Å; L51-F67 HydrophobicContact CD1-CZ 4.47Å; L60-F67 HydrophobicContact CD1-CB 3.82Å; L60-F67 HydrophobicContact CD1-CD2 3.87Å; L60-F67 HydrophobicContact CD1-CG 4.04Å; L60-F67 HydrophobicContact CD2-CB 4.08Å; L60-F67 HydrophobicContact CG-CB 4.37Å; F67-I69 HydrophobicContact CD2-CG1 3.99Å; F67-I69 HydrophobicContact CE2-CD1 3.55Å; F67-I69 HydrophobicContact CE2-CG1 3.36Å; F67-I69 HydrophobicContact CZ-CD1 3.9Å; F67-I69 HydrophobicContact CZ-CG1 4.12Å; F67-Q220 HydrophobicContact CD1-CB 3.83Å; F67-Q220 VanDerWaalsContact CD1-O 3.25Å; F67-Q220 WeakPolarHBondContact CD1-O 3.49Å; F67-Q220 HydrophobicContact CD2-CB 4.48Å; F67-Q220 HydrophobicContact CE1-CB 3.34Å; F67-Q220 HydrophobicContact CE2-CB 4.09Å; F67-Q220 HydrophobicContact CG-CB 4.37Å; F67-Q220 HydrophobicContact CZ-CB 3.48Å; F67-Q220 VanDerWaalsContact CZ-CB 3.48Å; F67-Q220 HydrophobicContact CZ-CG 4.24Å; F67-Q220 PolarHBondContact N-O 2.6Å; F67-Q220 PolarHBondContact O-N 2.76Å; F67-F222 AromaticContact CD1-CD1 3.73Å; F67-F222 HydrophobicContact CD1-CD1 3.73Å; F67-F222 HydrophobicContact CE1-CB 4.11Å; F67-F222 HydrophobicContact CE1-CD1 4.15Å
68	Y	90.1	Very high	88	Confident	16 Å²	16	67.1 Å²	67.1	6%	0.063	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.4	-176	-61.5	-100.2	0	0	0	109.7	I66 L75 R77 Y80 Y218 I219	I66-Y68 HydrophobicContact CG2-CE2 4.29Å; Y68-L75 PolarHBondContact N-O 3.16Å; Y68-L75 PolarHBondContact O-N 3.12Å; Y68-R77 HydrophobicContact CE2-CB 3.81Å; Y68-R77 HydrophobicContact CE2-CG 4.08Å; Y68-Y80 AromaticContact CD1-CD1 3.47Å; Y68-Y80 HydrophobicContact CD1-CD1 3.47Å; Y68-Y80 VanDerWaalsContact CD1-CD1 3.47Å; Y68-Y80 AromaticContact CD1-CD2 3.84Å; Y68-Y80 HydrophobicContact CD1-CD2 3.84Å; Y68-Y80 AromaticContact CD1-CE1 3.61Å; Y68-Y80 HydrophobicContact CD1-CE1 3.61Å; Y68-Y80 AromaticContact CD1-CE2 3.96Å; Y68-Y80 HydrophobicContact CD1-CE2 3.96Å; Y68-Y80 AromaticContact CD1-CG 3.59Å; Y68-Y80 HydrophobicContact CD1-CG 3.59Å; Y68-Y80 AromaticContact CD1-CZ 3.85Å; Y68-Y80 HydrophobicContact CD2-CD1 4.25Å; Y68-Y80 AromaticContact CD2-CG 3.96Å; Y68-Y80 HydrophobicContact CD2-CG 3.96Å; Y68-Y80 AromaticContact CE1-CD1 3.71Å; Y68-Y80 HydrophobicContact CE1-CD1 3.71Å; Y68-Y80 AromaticContact CE1-CE1 3.82Å; Y68-Y80 HydrophobicContact CE1-CE1 3.82Å; Y68-Y80 HydrophobicContact CE1-CG 4.26Å; Y68-Y80 HydrophobicContact CE2-CD1 4.5Å; Y68-Y80 AromaticContact CG-CD1 3.76Å; Y68-Y80 HydrophobicContact CG-CD1 3.76Å; Y68-Y80 AromaticContact CG-CD2 3.69Å; Y68-Y80 HydrophobicContact CG-CD2 3.69Å; Y68-Y80 HydrophobicContact CG-CE1 4.32Å; Y68-Y80 HydrophobicContact CG-CE2 4.25Å; Y68-Y80 AromaticContact CG-CG 3.41Å; Y68-Y80 HydrophobicContact CG-CG 3.41Å; Y68-Y80 VanDerWaalsContact CG-CG 3.41Å; Y68-Y218 WeakPolarHBondContact CA-O 3.16Å; Y68-I219 HydrophobicContact CD1-CG1 4.22Å; Y68-I219 HydrophobicContact CE1-CD1 4.45Å; Y68-I219 HydrophobicContact CE1-CG1 3.51Å
69	I	87.9	Confident	88	Confident	31 Å²	31	66 Å²	66	16%	0.159	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.3	171.4	-57.5	180	0	0	0	108.7	D42 F67 M73 Y218 Q220	D42-I69 HydrophobicContact CB-CD1 3.61Å; F67-I69 HydrophobicContact CD2-CG1 3.99Å; F67-I69 HydrophobicContact CE2-CD1 3.55Å; F67-I69 HydrophobicContact CE2-CG1 3.36Å; F67-I69 HydrophobicContact CZ-CD1 3.9Å; F67-I69 HydrophobicContact CZ-CG1 4.12Å; I69-M73 WeakPolarHBondContact CA-O 3.4Å; I69-Y218 PolarHBondContact N-O 3.19Å; I69-Y218 WeakPolarHBondContact O-CD1 3.27Å; I69-Q220 HydrophobicContact CB-CG 4.41Å; I69-Q220 HydrophobicContact CD1-CG 4.01Å; I69-Q220 HydrophobicContact CG1-CG 3.99Å
70	K	87.1	Confident	87.8	Confident	61 Å²	61	62.4 Å²	62.4	27%	0.265	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	134.1	171.9	-172.5	169.8	176	-176	0	109.8	R72 M73 Y80 Y84	K70-R72 PolarHBondContact O-N 2.96Å; K70-M73 PolarHBondContact N-O 3.2Å; K70-M73 VanDerWaalsContact N-O 3.14Å; K70-M73 WeakPolarHBondContact O-CA 3.44Å; K70-M73 VanDerWaalsContact O-CB 3.24Å; K70-M73 WeakPolarHBondContact O-CB 3.49Å; K70-M73 PolarHBondContact O-N 3.1Å; K70-Y80 HydrophobicContact CB-CE2 4.42Å; K70-Y80 HydrophobicContact CD-CE2 4.26Å; K70-Y84 HydrophobicContact CB-CE2 4.19Å; K70-Y84 HydrophobicContact CD-CD1 3.99Å; K70-Y84 HydrophobicContact CD-CD2 3.68Å; K70-Y84 HydrophobicContact CD-CE1 4.04Å; K70-Y84 HydrophobicContact CD-CE2 3.73Å; K70-Y84 HydrophobicContact CD-CG 3.79Å; K70-Y84 HydrophobicContact CG-CE2 4.28Å
71	A	85.2	Confident	87.7	Confident	86 Å²	86	62.4 Å²	62.4	71%	0.711	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	40	-177.2	0	0	0	0	0	113.7	M73	A71-M73 PolarHBondContact O-N 3.42Å
72	R	84.8	Confident	87.7	Confident	234 Å²	234	66.6 Å²	66.6	88%	0.883	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	15.5	-174.5	-51.8	178	62.5	134.2	0.8	115	K70	K70-R72 PolarHBondContact O-N 2.96Å
73	M	90.1	Very high	87.8	Confident	49 Å²	49	64.1 Å²	64.1	24%	0.241	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.7	173.7	-54.4	176.8	71	0	0	110.6	I54 I69 K70 A71 L75	I54-M73 HydrophobicContact CB-CE 4.31Å; I54-M73 HydrophobicContact CD1-CB 3.81Å; I54-M73 HydrophobicContact CD1-CG 4.06Å; I54-M73 HydrophobicContact CG2-CE 3.92Å; I69-M73 WeakPolarHBondContact CA-O 3.4Å; K70-M73 PolarHBondContact N-O 3.2Å; K70-M73 VanDerWaalsContact N-O 3.14Å; K70-M73 WeakPolarHBondContact O-CA 3.44Å; K70-M73 VanDerWaalsContact O-CB 3.24Å; K70-M73 WeakPolarHBondContact O-CB 3.49Å; K70-M73 PolarHBondContact O-N 3.1Å; A71-M73 PolarHBondContact O-N 3.42Å; M73-L75 HydrophobicContact CB-CD1 4.32Å; M73-L75 HydrophobicContact CB-CD2 4.37Å; M73-L75 HydrophobicContact CB-CG 4.12Å; M73-L75 HydrophobicContact CE-CD2 4.36Å
74	S	91.9	Very high	87.9	Confident	15 Å²	15	63.4 Å²	63.4	11%	0.105	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	120	167.3	48.8	0	0	0	0	109.5	R52 C53 I54	R52-S74 PolarHBondContact O-OG 3.31Å; C53-S74 CarbonylContact C-O 3.51Å; C53-S74 VanDerWaalsContact CA-O 3.29Å; C53-S74 WeakPolarHBondContact CA-O 3.37Å; I54-S74 PolarHBondContact N-O 3.27Å
75	L	92.2	Very high	88.3	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.2	-172.9	-63	171.4	0	0	0	110.7	C55 Y68 M73 D79 Y80 L83 Y84	C55-L75 HydrophobicContact CB-CD2 4.36Å; C55-L75 WeakPolarHBondContact SG-CD2 3.5Å; Y68-L75 PolarHBondContact N-O 3.16Å; Y68-L75 PolarHBondContact O-N 3.12Å; M73-L75 HydrophobicContact CB-CD1 4.32Å; M73-L75 HydrophobicContact CB-CD2 4.37Å; M73-L75 HydrophobicContact CB-CG 4.12Å; M73-L75 HydrophobicContact CE-CD2 4.36Å; L75-D79 HydrophobicContact CD2-CB 4.42Å; L75-Y80 HydrophobicContact CD1-CD2 4.37Å; L75-L83 HydrophobicContact CD1-CD1 4.27Å; L75-L83 HydrophobicContact CD2-CD1 4.37Å; L75-Y84 HydrophobicContact CD1-CD2 4.15Å; L75-Y84 HydrophobicContact CD1-CE2 3.59Å
76	C	92.3	Very high	88.5	Confident	6 Å²	6	58.6 Å²	58.6	4%	0.041	27%	0.265	C	S	.	.			trans	-70.2	162.2	168.3	73.3	0	0	0	0	109.8	C53 L60 L63 R78 D79 Y80	C53-C76 HydrophobicContact CB-CB 4.07Å; C53-C76 PolarHBondContact SG-N 3.39Å; L60-C76 HydrophobicContact CD2-CB 3.73Å; L63-C76 HydrophobicContact CD1-CB 3.73Å; C76-R78 VanDerWaalsContact C-N 3.27Å; C76-R78 PolarHBondContact O-N 2.96Å; C76-D79 PolarHBondContact O-N 3.41Å; C76-D79 PolarHBondContact SG-N 3.02Å; C76-D79 PolarHBondContact SG-OD2 2.92Å; C76-D79 VanDerWaalsContact SG-OD2 3.32Å; C76-Y80 WeakPolarHBondContact O-CB 3.4Å; C76-Y80 PolarHBondContact O-N 3.08Å
77	R	87.7	Confident	88.6	Confident	69 Å²	69	60.3 Å²	60.3	26%	0.26	28%	0.278	S	S	.	.	H	α-helix	trans	-50.4	-47.6	176.8	-179.5	175.7	176.1	147.8	-0.1	112.3	Y68 D79 Y80 L81 Y211	Y68-R77 HydrophobicContact CE2-CB 3.81Å; Y68-R77 HydrophobicContact CE2-CG 4.08Å; R77-D79 PolarHBondContact O-N 3.39Å; R77-Y80 PolarHBondContact O-N 2.7Å; R77-L81 HydrophobicContact CG-CD1 3.82Å; R77-L81 HydrophobicContact CG-CG 4.46Å; R77-L81 WeakPolarHBondContact O-CB 3.39Å; R77-L81 WeakPolarHBondContact O-CD1 3.43Å; R77-L81 WeakPolarHBondContact O-CG 3.4Å; R77-L81 PolarHBondContact O-N 2.96Å; R77-Y211 PolarHBondContact NE-OH 2.91Å
78	R	88.4	Confident	88.6	Confident	185 Å²	185	61.5 Å²	61.5	70%	0.698	29%	0.29	S	S	*	.	H	α-helix	trans	-59.7	-49.5	-178.6	-172.1	-175.1	-62.8	151.9	1	112.4	C76 L81 R82	C76-R78 VanDerWaalsContact C-N 3.27Å; C76-R78 PolarHBondContact O-N 2.96Å; R78-L81 PolarHBondContact O-N 3.33Å; R78-R82 WeakPolarHBondContact O-CB 3.18Å; R78-R82 PolarHBondContact O-N 2.76Å
79	D	92.1	Very high	88.7	Confident	8 Å²	8	66.1 Å²	66.1	4%	0.043	31%	0.313	C	S	.	.	H	α-helix	trans	-72.9	-35	-178.5	-75.2	-42.6	0	0	0	112.7	C53 C55 C56 L75 C76 R77 R82 L83	C53-D79 PolarHBondContact SG-OD2 2.81Å; C55-D79 HydrophobicContact CB-CB 3.95Å; C55-D79 WeakPolarHBondContact CB-OD2 2.93Å; C56-D79 WeakPolarHBondContact CB-OD2 3.44Å; C56-D79 PolarHBondContact SG-OD2 3.08Å; L75-D79 HydrophobicContact CD2-CB 4.42Å; C76-D79 PolarHBondContact O-N 3.41Å; C76-D79 PolarHBondContact SG-N 3.02Å; C76-D79 PolarHBondContact SG-OD2 2.92Å; C76-D79 VanDerWaalsContact SG-OD2 3.32Å; R77-D79 PolarHBondContact O-N 3.39Å; D79-R82 PolarHBondContact O-N 3.05Å; D79-R82 IonicContact OD1-CZ 2.77Å; D79-R82 IonicContact OD1-NE 3.59Å; D79-R82 PolarHBondContact OD1-NE 3.01Å; D79-R82 VanDerWaalsContact OD1-NE 3.15Å; D79-R82 IonicContact OD1-NH2 2.83Å; D79-R82 PolarHBondContact OD1-NH2 3.1Å; D79-L83 WeakPolarHBondContact O-CB 3.4Å; D79-L83 WeakPolarHBondContact O-CG 3.41Å; D79-L83 PolarHBondContact O-N 2.76Å
80	Y	91.1	Very high	89.1	Confident	13 Å²	13	64.7 Å²	64.7	5%	0.051	31%	0.305	C	S	.	.	H	α-helix	trans	-60	-47.8	172.5	178.8	-94.6	0	0	0	111.1	Y68 K70 L75 C76 R77 L83 Y84 G85	Y68-Y80 AromaticContact CD1-CD1 3.47Å; Y68-Y80 HydrophobicContact CD1-CD1 3.47Å; Y68-Y80 VanDerWaalsContact CD1-CD1 3.47Å; Y68-Y80 AromaticContact CD1-CD2 3.84Å; Y68-Y80 HydrophobicContact CD1-CD2 3.84Å; Y68-Y80 AromaticContact CD1-CE1 3.61Å; Y68-Y80 HydrophobicContact CD1-CE1 3.61Å; Y68-Y80 AromaticContact CD1-CE2 3.96Å; Y68-Y80 HydrophobicContact CD1-CE2 3.96Å; Y68-Y80 AromaticContact CD1-CG 3.59Å; Y68-Y80 HydrophobicContact CD1-CG 3.59Å; Y68-Y80 AromaticContact CD1-CZ 3.85Å; Y68-Y80 HydrophobicContact CD2-CD1 4.25Å; Y68-Y80 AromaticContact CD2-CG 3.96Å; Y68-Y80 HydrophobicContact CD2-CG 3.96Å; Y68-Y80 AromaticContact CE1-CD1 3.71Å; Y68-Y80 HydrophobicContact CE1-CD1 3.71Å; Y68-Y80 AromaticContact CE1-CE1 3.82Å; Y68-Y80 HydrophobicContact CE1-CE1 3.82Å; Y68-Y80 HydrophobicContact CE1-CG 4.26Å; Y68-Y80 HydrophobicContact CE2-CD1 4.5Å; Y68-Y80 AromaticContact CG-CD1 3.76Å; Y68-Y80 HydrophobicContact CG-CD1 3.76Å; Y68-Y80 AromaticContact CG-CD2 3.69Å; Y68-Y80 HydrophobicContact CG-CD2 3.69Å; Y68-Y80 HydrophobicContact CG-CE1 4.32Å; Y68-Y80 HydrophobicContact CG-CE2 4.25Å; Y68-Y80 AromaticContact CG-CG 3.41Å; Y68-Y80 HydrophobicContact CG-CG 3.41Å; Y68-Y80 VanDerWaalsContact CG-CG 3.41Å; K70-Y80 HydrophobicContact CB-CE2 4.42Å; K70-Y80 HydrophobicContact CD-CE2 4.26Å; L75-Y80 HydrophobicContact CD1-CD2 4.37Å; C76-Y80 WeakPolarHBondContact O-CB 3.4Å; C76-Y80 PolarHBondContact O-N 3.08Å; R77-Y80 PolarHBondContact O-N 2.7Å; Y80-L83 PolarHBondContact O-N 3.05Å; Y80-Y84 AromaticContact CD2-CD2 3.79Å; Y80-Y84 HydrophobicContact CD2-CD2 3.79Å; Y80-Y84 AromaticContact CE2-CD2 3.92Å; Y80-Y84 HydrophobicContact CE2-CD2 3.92Å; Y80-Y84 HydrophobicContact CE2-CG 4.48Å; Y80-Y84 WeakPolarHBondContact O-CA 3.35Å; Y80-Y84 WeakPolarHBondContact O-CB 3.19Å; Y80-Y84 PolarHBondContact O-N 2.85Å; Y80-G85 PolarHBondContact O-N 3.4Å
81	L	88.4	Confident	89.4	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-48.4	176.5	-67.2	167.5	0	0	0	110.5	R77 R78 L83 Y84 G85 S99 Y211 C214	R77-L81 HydrophobicContact CG-CD1 3.82Å; R77-L81 HydrophobicContact CG-CG 4.46Å; R77-L81 WeakPolarHBondContact O-CB 3.39Å; R77-L81 WeakPolarHBondContact O-CD1 3.43Å; R77-L81 WeakPolarHBondContact O-CG 3.4Å; R77-L81 PolarHBondContact O-N 2.96Å; R78-L81 PolarHBondContact O-N 3.33Å; L81-L83 VanDerWaalsContact C-N 3.27Å; L81-L83 PolarHBondContact O-N 3.22Å; L81-Y84 PolarHBondContact O-N 2.86Å; L81-G85 WeakPolarHBondContact O-CA 3.3Å; L81-G85 PolarHBondContact O-N 2.64Å; L81-S99 VanDerWaalsContact C-OG 3.27Å; L81-S99 VanDerWaalsContact O-CB 3.3Å; L81-S99 WeakPolarHBondContact O-CB 3.47Å; L81-S99 PolarHBondContact O-OG 3.32Å; L81-Y211 HydrophobicContact CD1-CE1 3.47Å; L81-Y211 VanDerWaalsContact CD1-CE1 3.47Å; L81-Y211 WeakPolarHBondContact CD1-OH 3.48Å; L81-Y211 HydrophobicContact CD2-CE1 4.37Å; L81-C214 HydrophobicContact CD2-CB 3.91Å; L81-C214 WeakPolarHBondContact CD2-SG 3.48Å
82	R	89	Confident	89.8	Confident	123 Å²	123	62.7 Å²	62.7	46%	0.464	29%	0.288	S	S	.	.	H	α-helix	trans	-55.9	-38.9	179	-175.9	172.3	64.2	109.9	-3.9	113.6	R78 D79 Y100	R78-R82 WeakPolarHBondContact O-CB 3.18Å; R78-R82 PolarHBondContact O-N 2.76Å; D79-R82 PolarHBondContact O-N 3.05Å; D79-R82 IonicContact OD1-CZ 2.77Å; D79-R82 IonicContact OD1-NE 3.59Å; D79-R82 PolarHBondContact OD1-NE 3.01Å; D79-R82 VanDerWaalsContact OD1-NE 3.15Å; D79-R82 IonicContact OD1-NH2 2.83Å; D79-R82 PolarHBondContact OD1-NH2 3.1Å; R82-Y100 HydrophobicContact CB-CD1 3.95Å; R82-Y100 HydrophobicContact CG-CD1 4.04Å; R82-Y100 HydrophobicContact CG-CE1 4.09Å
83	L	88.9	Confident	90.3	Very high	79 Å²	79	53.7 Å²	53.7	41%	0.414	26%	0.261	S	S	.	.	H	α-helix	trans	-88.5	-34.3	-177.7	-68.1	173.5	0	0	0	114	L75 D79 Y80 L81	L75-L83 HydrophobicContact CD1-CD1 4.27Å; L75-L83 HydrophobicContact CD2-CD1 4.37Å; D79-L83 WeakPolarHBondContact O-CB 3.4Å; D79-L83 WeakPolarHBondContact O-CG 3.41Å; D79-L83 PolarHBondContact O-N 2.76Å; Y80-L83 PolarHBondContact O-N 3.05Å; L81-L83 VanDerWaalsContact C-N 3.27Å; L81-L83 PolarHBondContact O-N 3.22Å
84	Y	87.7	Confident	90.6	Very high	80 Å²	80	56.9 Å²	56.9	31%	0.314	28%	0.275	S	S	.	.	H	α-helix	trans	-136.8	-1.8	-166.6	-53.2	-59.6	0	0	0	114.6	K70 L75 Y80 L81	K70-Y84 HydrophobicContact CB-CE2 4.19Å; K70-Y84 HydrophobicContact CD-CD1 3.99Å; K70-Y84 HydrophobicContact CD-CD2 3.68Å; K70-Y84 HydrophobicContact CD-CE1 4.04Å; K70-Y84 HydrophobicContact CD-CE2 3.73Å; K70-Y84 HydrophobicContact CD-CG 3.79Å; K70-Y84 HydrophobicContact CG-CE2 4.28Å; L75-Y84 HydrophobicContact CD1-CD2 4.15Å; L75-Y84 HydrophobicContact CD1-CE2 3.59Å; Y80-Y84 AromaticContact CD2-CD2 3.79Å; Y80-Y84 HydrophobicContact CD2-CD2 3.79Å; Y80-Y84 AromaticContact CE2-CD2 3.92Å; Y80-Y84 HydrophobicContact CE2-CD2 3.92Å; Y80-Y84 HydrophobicContact CE2-CG 4.48Å; Y80-Y84 WeakPolarHBondContact O-CA 3.35Å; Y80-Y84 WeakPolarHBondContact O-CB 3.19Å; Y80-Y84 PolarHBondContact O-N 2.85Å; L81-Y84 PolarHBondContact O-N 2.86Å
85	G	85	Confident	90.8	Very high	12 Å²	12	62.9 Å²	62.9	12%	0.124	30%	0.299	C	S	.	.	S	Bend	trans	-67.3	156.1	175	0	0	0	0	0	110.8	Y80 L81 T87 S99	Y80-G85 PolarHBondContact O-N 3.4Å; L81-G85 WeakPolarHBondContact O-CA 3.3Å; L81-G85 PolarHBondContact O-N 2.64Å; G85-T87 PolarHBondContact O-N 3.17Å; G85-S99 VanDerWaalsContact C-CB 3.43Å
86	K	84.2	Confident	90.8	Very high	126 Å²	126	68.5 Å²	68.5	55%	0.548	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-70.9	126.4	178.8	-65	180	177.6	-179.3	0	109.4	S99	K86-S99 WeakPolarHBondContact O-CA 3.49Å; K86-S99 WeakPolarHBondContact O-CB 3.36Å
87	T	86.8	Confident	90.8	Very high	72 Å²	72	68.4 Å²	68.4	44%	0.442	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-91.9	153.2	169	59.8	0	0	0	0	109.7	G85 Q96	G85-T87 PolarHBondContact O-N 3.17Å; T87-Q96 PolarHBondContact OG1-NE2 3.39Å
88	G	89.2	Confident	90.8	Very high	26 Å²	26	68.5 Å²	68.5	27%	0.268	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	179	171.8	0	0	0	0	0	110.7	Q96 V97	G88-Q96 CarbonylContact O-C 3.54Å; G88-Q96 WeakPolarHBondContact O-CA 3.42Å; G88-V97 PolarHBondContact N-O 3.44Å; G88-V97 PolarHBondContact O-N 2.73Å
89	E	93.5	Very high	90.7	Very high	113 Å²	113	59.9 Å²	59.9	53%	0.528	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.3	170.7	-175.8	172.1	-177.1	0	0	108.6	S91 Q94	E89-S91 PolarHBondContact O-N 3.27Å; E89-Q94 PolarHBondContact OE1-OE1 3.38Å
90	C	95.2	Very high	90.2	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-75.2	121.6	178.5	175	0	0	0	0	110.2	I92 Q94 K95 V97 V110 H112	C90-I92 PolarHBondContact O-N 3.07Å; C90-Q94 VanDerWaalsContact O-CA 3.22Å; C90-Q94 WeakPolarHBondContact O-CA 3.36Å; C90-Q94 PolarHBondContact O-N 3.18Å; C90-Q94 PolarHBondContact O-OE1 2.97Å; C90-K95 PolarHBondContact N-O 3.23Å; C90-V97 HydrophobicContact CB-CG2 3.78Å; C90-V110 VanDerWaalsContact CA-O 3.27Å; C90-V110 WeakPolarHBondContact CA-O 3.17Å; C90-H112 WeakPolarHBondContact CB-CE1 3.45Å; C90-H112 WeakPolarHBondContact CB-ND1 3.46Å; C90-H112 PolarHBondContact SG-ND1 2.77Å; C90-H112 VanDerWaalsContact SG-ND1 3.37Å
91	S	93.4	Very high	90	Very high	44 Å²	44	67.2 Å²	67.2	31%	0.308	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.5	-176.6	-53.3	0	0	0	0	114.9	E89 Q94 S109 V110	E89-S91 PolarHBondContact O-N 3.27Å; S91-Q94 PolarHBondContact O-NE2 3.48Å; S91-S109 WeakPolarHBondContact OG-CB 2.95Å; S91-V110 PolarHBondContact N-O 2.78Å
92	I	94	Very high	89.9	Confident	61 Å²	61	72.9 Å²	72.9	31%	0.313	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-55.1	-179.7	-60.3	-68.5	0	0	0	111.4	C90 Y111 C115 Q119	C90-I92 PolarHBondContact O-N 3.07Å; I92-Y111 HydrophobicContact CD1-CD1 4.39Å; I92-Y111 HydrophobicContact CD1-CE1 4.15Å; I92-Y111 HydrophobicContact CG1-CD1 3.59Å; I92-Y111 HydrophobicContact CG1-CE1 3.8Å; I92-C115 HydrophobicContact CB-CB 4.06Å; I92-C115 HydrophobicContact CG1-CB 4.47Å; I92-C115 HydrophobicContact CG2-CB 4.22Å; I92-Q119 HydrophobicContact CD1-CG 4.23Å
93	C	95.7	Very high	89.9	Confident	46 Å²	46	67.8 Å²	67.8	31%	0.311	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-4.4	-175.4	70.2	0	0	0	0	114	K95 H112	C93-K95 PolarHBondContact O-N 3.16Å; C93-K95 VanDerWaalsContact O-N 3.08Å; C93-H112 PolarHBondContact SG-CE1 3.32Å; C93-H112 PolarHBondContact SG-ND1 3.45Å
94	Q	95.5	Very high	90	Very high	115 Å²	115	64.1 Å²	64.1	54%	0.537	32%	0.315	S	S	.	.			trans	53.1	27.9	-178.3	-51.7	-60.7	0.3	0	0	113.5	E89 C90 S91	E89-Q94 PolarHBondContact OE1-OE1 3.38Å; C90-Q94 VanDerWaalsContact O-CA 3.22Å; C90-Q94 WeakPolarHBondContact O-CA 3.36Å; C90-Q94 PolarHBondContact O-N 3.18Å; C90-Q94 PolarHBondContact O-OE1 2.97Å; S91-Q94 PolarHBondContact O-NE2 3.48Å
95	K	95.8	Very high	90	Very high	142 Å²	142	65.3 Å²	65.3	62%	0.617	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-99.2	147.4	173.6	-64.2	177.7	-175.8	178.1	0	109.5	C90 C93 V97	C90-K95 PolarHBondContact N-O 3.23Å; C93-K95 PolarHBondContact O-N 3.16Å; C93-K95 VanDerWaalsContact O-N 3.08Å; K95-V97 PolarHBondContact O-N 2.55Å
96	Q	93.5	Very high	90.1	Very high	118 Å²	118	65 Å²	65	55%	0.551	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	125.5	175.2	-172.4	176.5	9.6	0	0	110.4	T87 G88	T87-Q96 PolarHBondContact OG1-NE2 3.39Å; G88-Q96 CarbonylContact O-C 3.54Å; G88-Q96 WeakPolarHBondContact O-CA 3.42Å
97	V	91.4	Very high	90.2	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	124.5	175	-166.2	0	0	0	0	108.6	G88 C90 K95 V103 V110	G88-V97 PolarHBondContact N-O 3.44Å; G88-V97 PolarHBondContact O-N 2.73Å; C90-V97 HydrophobicContact CB-CG2 3.78Å; K95-V97 PolarHBondContact O-N 2.55Å; V97-V103 HydrophobicContact CB-CG1 4.47Å; V97-V103 HydrophobicContact CG1-CB 4.35Å; V97-V103 HydrophobicContact CG1-CG1 3.21Å; V97-V110 HydrophobicContact CG2-CG1 4.11Å
98	Q	87.7	Confident	90.1	Very high	72 Å²	72	67.7 Å²	67.7	34%	0.336	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-68.8	141.2	179.9	-63.5	-63.1	-20.3	0	0	110.1	Y100 E101	Q98-Y100 HydrophobicContact CB-CD1 3.9Å; Q98-Y100 HydrophobicContact CB-CE1 3.53Å; Q98-Y100 HydrophobicContact CB-CE2 4.39Å; Q98-Y100 HydrophobicContact CB-CG 4.5Å; Q98-Y100 HydrophobicContact CG-CE1 3.92Å; Q98-Y100 PolarHBondContact O-N 2.74Å; Q98-Y100 VanDerWaalsContact O-N 3.16Å; Q98-E101 HydrophobicContact CB-CB 4.21Å; Q98-E101 WeakPolarHBondContact O-CB 3.49Å; Q98-E101 PolarHBondContact O-N 3.15Å; Q98-E101 VanDerWaalsContact O-N 3.07Å
99	S	85.7	Confident	90.1	Very high	3 Å²	3	68 Å²	68	2%	0.021	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.5	-177.1	50.6	0	0	0	0	114.8	L81 G85 K86 S212	L81-S99 VanDerWaalsContact C-OG 3.27Å; L81-S99 VanDerWaalsContact O-CB 3.3Å; L81-S99 WeakPolarHBondContact O-CB 3.47Å; L81-S99 PolarHBondContact O-OG 3.32Å; G85-S99 VanDerWaalsContact C-CB 3.43Å; K86-S99 WeakPolarHBondContact O-CA 3.49Å; K86-S99 WeakPolarHBondContact O-CB 3.36Å; S99-S212 PolarHBondContact O-OG 3.12Å
100	Y	82.7	Confident	90	Very high	110 Å²	110	64 Å²	64	43%	0.431	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-6	178.4	64.2	-93.9	0	0	0	113.3	R82 Q98	R82-Y100 HydrophobicContact CB-CD1 3.95Å; R82-Y100 HydrophobicContact CG-CD1 4.04Å; R82-Y100 HydrophobicContact CG-CE1 4.09Å; Q98-Y100 HydrophobicContact CB-CD1 3.9Å; Q98-Y100 HydrophobicContact CB-CE1 3.53Å; Q98-Y100 HydrophobicContact CB-CE2 4.39Å; Q98-Y100 HydrophobicContact CB-CG 4.5Å; Q98-Y100 HydrophobicContact CG-CE1 3.92Å; Q98-Y100 PolarHBondContact O-N 2.74Å; Q98-Y100 VanDerWaalsContact O-N 3.16Å
101	E	85.8	Confident	89.8	Confident	66 Å²	66	64 Å²	64	31%	0.308	31%	0.311	S	S	.	.	S	Bend	trans	-79.3	150.9	178.2	-163.2	-176.4	156.1	0	0	110.2	Q98 H112	Q98-E101 HydrophobicContact CB-CB 4.21Å; Q98-E101 WeakPolarHBondContact O-CB 3.49Å; Q98-E101 PolarHBondContact O-N 3.15Å; Q98-E101 VanDerWaalsContact O-N 3.07Å; E101-H112 IonicContact OE1-CD2 3.23Å; E101-H112 PolarHBondContact OE1-CD2 3.46Å; E101-H112 IonicContact OE2-CD2 3.08Å
102	F	86.8	Confident	89.9	Confident	119 Å²	119	62.8 Å²	62.8	52%	0.522	30%	0.3	S	S	.	.			trans	-73.9	138.5	166.8	-66.9	-69.3	0	0	0	110	L113 Y211	F102-L113 HydrophobicContact CB-CD1 3.48Å; F102-L113 VanDerWaalsContact CB-CD1 3.48Å; F102-L113 HydrophobicContact CB-CG 4.05Å; F102-L113 HydrophobicContact CG-CD1 4.47Å; F102-Y211 HydrophobicContact CD1-CD2 4.37Å; F102-Y211 AromaticContact CE1-CD2 3.99Å; F102-Y211 HydrophobicContact CE1-CD2 3.99Å; F102-Y211 AromaticContact CE1-CE2 3.99Å; F102-Y211 HydrophobicContact CE1-CE2 3.99Å
103	V	89.8	Confident	89.7	Confident	16 Å²	16	63.3 Å²	63.3	10%	0.097	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	152.2	-174.7	-48.9	0	0	0	0	109.5	V97 V110 Y111	V97-V103 HydrophobicContact CB-CG1 4.47Å; V97-V103 HydrophobicContact CG1-CB 4.35Å; V97-V103 HydrophobicContact CG1-CG1 3.21Å; V103-V110 HydrophobicContact CB-CG1 3.81Å; V103-V110 HydrophobicContact CG1-CG1 4.21Å; V103-V110 HydrophobicContact CG2-CG1 3.96Å; V103-Y111 WeakPolarHBondContact CA-O 3.22Å
104	M	90.6	Very high	89.6	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	136.4	162.6	-173.3	57.2	61.1	0	0	108.6	I106 V110 Y111 F116 M207	M104-I106 HydrophobicContact CG-CG1 4.4Å; M104-V110 CarbonylContact O-C 3.57Å; M104-V110 WeakPolarHBondContact O-CA 3.44Å; M104-Y111 PolarHBondContact N-O 3.49Å; M104-Y111 PolarHBondContact O-N 3.25Å; M104-F116 HydrophobicContact CB-CB 4.06Å; M104-F116 HydrophobicContact CB-CD1 4.32Å; M104-F116 HydrophobicContact CB-CD2 3.77Å; M104-F116 HydrophobicContact CB-CE2 4.4Å; M104-F116 HydrophobicContact CB-CG 3.74Å; M104-F116 HydrophobicContact CE-CD1 4.27Å; M104-F116 HydrophobicContact CE-CE1 4.38Å; M104-F116 HydrophobicContact CG-CD1 3.98Å; M104-F116 HydrophobicContact CG-CD2 3.47Å; M104-F116 VanDerWaalsContact CG-CD2 3.47Å; M104-F116 HydrophobicContact CG-CE1 4.07Å; M104-F116 HydrophobicContact CG-CE2 3.59Å; M104-F116 HydrophobicContact CG-CG 3.68Å; M104-F116 HydrophobicContact CG-CZ 3.88Å; M104-M207 HydrophobicContact CE-CE 3.27Å; M104-M207 HydrophobicContact CE-SD 3.57Å; M104-M207 VanDerWaalsContact CE-SD 3.57Å; M104-M207 HydrophobicContact SD-SD 4.47Å
105	K	88.3	Confident	89.5	Confident	105 Å²	105	60 Å²	60	46%	0.457	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.1	176.9	-172.6	-177	178.6	-170.8	0	109.2	K107 S109 V110	K105-K107 WeakPolarHBondContact CE-O 3.16Å; K105-S109 WeakPolarHBondContact CA-O 3.4Å; K105-S109 WeakPolarHBondContact CG-O 3.23Å; K105-V110 HydrophobicContact CG-CG2 4.42Å
106	I	86.3	Confident	89.4	Confident	7 Å²	7	53.5 Å²	53.5	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.4	173.8	-54.7	161	0	0	0	107.6	M104 N108 S109 Y111 F116 F131 L133 Y205	M104-I106 HydrophobicContact CG-CG1 4.4Å; I106-N108 PolarHBondContact O-N 3.07Å; I106-N108 VanDerWaalsContact O-N 3.08Å; I106-S109 PolarHBondContact N-O 3.38Å; I106-S109 VanDerWaalsContact N-O 3.08Å; I106-S109 PolarHBondContact O-N 2.94Å; I106-Y111 HydrophobicContact CB-CE2 4.38Å; I106-Y111 HydrophobicContact CD1-CE2 4.22Å; I106-F116 HydrophobicContact CD1-CD2 4.45Å; I106-F116 HydrophobicContact CD1-CE2 3.38Å; I106-F116 HydrophobicContact CD1-CZ 3.87Å; I106-F116 HydrophobicContact CG1-CE2 4.42Å; I106-F131 HydrophobicContact CD1-CD2 4.47Å; I106-F131 HydrophobicContact CD1-CE2 3.44Å; I106-F131 VanDerWaalsContact CD1-CE2 3.44Å; I106-F131 HydrophobicContact CD1-CZ 3.81Å; I106-F131 HydrophobicContact CG1-CE2 4.19Å; I106-F131 HydrophobicContact CG1-CZ 4.17Å; I106-L133 HydrophobicContact CG2-CD2 3.66Å; I106-Y205 HydrophobicContact CG2-CD1 4.47Å; I106-Y205 HydrophobicContact CG2-CD2 4.28Å; I106-Y205 HydrophobicContact CG2-CE1 4.18Å; I106-Y205 HydrophobicContact CG2-CE2 3.94Å
107	K	85.9	Confident	89.5	Confident	95 Å²	95	48.4 Å²	48.4	41%	0.413	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	-116.7	-173	-59.5	-179.4	-179.1	-174.6	0	110.1	K105 L133 Y205	K105-K107 WeakPolarHBondContact CE-O 3.16Å; K107-L133 HydrophobicContact CD-CD2 4.24Å; K107-Y205 WeakPolarHBondContact CE-OH 3.29Å
108	N	85.8	Confident	89.7	Confident	159 Å²	159	48.3 Å²	48.3	85%	0.85	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	1.3	-179.1	-67.6	26.6	0	0	0	113.3	I106	I106-N108 PolarHBondContact O-N 3.07Å; I106-N108 VanDerWaalsContact O-N 3.08Å
109	S	89.3	Confident	90	Very high	31 Å²	31	48.1 Å²	48.1	22%	0.217	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	145.6	-175.7	-60.7	0	0	0	0	111.8	S91 K105 I106 Y111	S91-S109 WeakPolarHBondContact OG-CB 2.95Å; K105-S109 WeakPolarHBondContact CA-O 3.4Å; K105-S109 WeakPolarHBondContact CG-O 3.23Å; I106-S109 PolarHBondContact N-O 3.38Å; I106-S109 VanDerWaalsContact N-O 3.08Å; I106-S109 PolarHBondContact O-N 2.94Å; S109-Y111 WeakPolarHBondContact CB-OH 2.96Å
110	V	90.9	Very high	90.4	Very high	29 Å²	29	53 Å²	53	18%	0.176	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	145.2	179.8	-176.9	0	0	0	0	109.1	C90 S91 V97 V103 M104 K105	C90-V110 VanDerWaalsContact CA-O 3.27Å; C90-V110 WeakPolarHBondContact CA-O 3.17Å; S91-V110 PolarHBondContact N-O 2.78Å; V97-V110 HydrophobicContact CG2-CG1 4.11Å; V103-V110 HydrophobicContact CB-CG1 3.81Å; V103-V110 HydrophobicContact CG1-CG1 4.21Å; V103-V110 HydrophobicContact CG2-CG1 3.96Å; M104-V110 CarbonylContact O-C 3.57Å; M104-V110 WeakPolarHBondContact O-CA 3.44Å; K105-V110 HydrophobicContact CG-CG2 4.42Å
111	Y	91.7	Very high	91	Very high	2 Å²	2	50 Å²	50	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	137.5	-177.5	-53.5	-94.7	0	0	0	109.5	I92 V103 M104 I106 S109 F116 I138	I92-Y111 HydrophobicContact CD1-CD1 4.39Å; I92-Y111 HydrophobicContact CD1-CE1 4.15Å; I92-Y111 HydrophobicContact CG1-CD1 3.59Å; I92-Y111 HydrophobicContact CG1-CE1 3.8Å; V103-Y111 WeakPolarHBondContact CA-O 3.22Å; M104-Y111 PolarHBondContact N-O 3.49Å; M104-Y111 PolarHBondContact O-N 3.25Å; I106-Y111 HydrophobicContact CB-CE2 4.38Å; I106-Y111 HydrophobicContact CD1-CE2 4.22Å; S109-Y111 WeakPolarHBondContact CB-OH 2.96Å; Y111-F116 HydrophobicContact CD2-CD2 4.39Å; Y111-F116 HydrophobicContact CG-CD2 4.15Å; Y111-I138 HydrophobicContact CD1-CD1 3.86Å; Y111-I138 HydrophobicContact CE1-CD1 3.61Å; Y111-I138 HydrophobicContact CE2-CD1 4.46Å; Y111-I138 HydrophobicContact CG-CD1 4.41Å
112	H	93.6	Very high	91.5	Very high	17 Å²	17	52.8 Å²	52.8	8%	0.079	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	147.2	164.3	-59.8	102.7	0	0	0	108.9	C90 C93 E101 S114 C115 F116	C90-H112 WeakPolarHBondContact CB-CE1 3.45Å; C90-H112 WeakPolarHBondContact CB-ND1 3.46Å; C90-H112 PolarHBondContact SG-ND1 2.77Å; C90-H112 VanDerWaalsContact SG-ND1 3.37Å; C93-H112 PolarHBondContact SG-CE1 3.32Å; C93-H112 PolarHBondContact SG-ND1 3.45Å; E101-H112 IonicContact OE1-CD2 3.23Å; E101-H112 PolarHBondContact OE1-CD2 3.46Å; E101-H112 IonicContact OE2-CD2 3.08Å; H112-S114 PolarHBondContact O-N 2.74Å; H112-C115 HydrophobicContact CB-CB 4.05Å; H112-C115 CarbonylContact O-C 3.58Å; H112-C115 PolarHBondContact O-N 2.97Å; H112-F116 PolarHBondContact O-N 3.33Å
113	L	91.3	Very high	91.9	Very high	72 Å²	72	53.2 Å²	53.2	38%	0.377	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.8	174	-69	-176.6	0	0	0	112.2	F102 C115 F116 L209	F102-L113 HydrophobicContact CB-CD1 3.48Å; F102-L113 VanDerWaalsContact CB-CD1 3.48Å; F102-L113 HydrophobicContact CB-CG 4.05Å; F102-L113 HydrophobicContact CG-CD1 4.47Å; L113-C115 VanDerWaalsContact C-N 3.34Å; L113-F116 PolarHBondContact O-N 2.74Å; L113-L209 HydrophobicContact CD2-CD2 3.81Å
114	S	92.4	Very high	92	Very high	70 Å²	70	60.7 Å²	60.7	49%	0.49	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-25.5	178	57.8	0	0	0	0	113.8	H112	H112-S114 PolarHBondContact O-N 2.74Å
115	C	94.3	Very high	92	Very high	21 Å²	21	61.9 Å²	61.9	14%	0.142	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-15.5	176.3	-64.7	0	0	0	0	112.5	I92 H112 L113 C117	I92-C115 HydrophobicContact CB-CB 4.06Å; I92-C115 HydrophobicContact CG1-CB 4.47Å; I92-C115 HydrophobicContact CG2-CB 4.22Å; H112-C115 HydrophobicContact CB-CB 4.05Å; H112-C115 CarbonylContact O-C 3.58Å; H112-C115 PolarHBondContact O-N 2.97Å; L113-C115 VanDerWaalsContact C-N 3.34Å; C115-C117 PolarHBondContact O-N 3.26Å; C115-C117 VanDerWaalsContact O-N 3.12Å
116	F	93.5	Very high	92.1	Very high	6 Å²	6	60.8 Å²	60.8	3%	0.026	31%	0.313	C	S	.	.			trans	-81.5	90.3	179.7	-166.5	-99.2	0	0	0	110.6	M104 I106 Y111 H112 L113 F125 F131 I138 M207	M104-F116 HydrophobicContact CB-CB 4.06Å; M104-F116 HydrophobicContact CB-CD1 4.32Å; M104-F116 HydrophobicContact CB-CD2 3.77Å; M104-F116 HydrophobicContact CB-CE2 4.4Å; M104-F116 HydrophobicContact CB-CG 3.74Å; M104-F116 HydrophobicContact CE-CD1 4.27Å; M104-F116 HydrophobicContact CE-CE1 4.38Å; M104-F116 HydrophobicContact CG-CD1 3.98Å; M104-F116 HydrophobicContact CG-CD2 3.47Å; M104-F116 VanDerWaalsContact CG-CD2 3.47Å; M104-F116 HydrophobicContact CG-CE1 4.07Å; M104-F116 HydrophobicContact CG-CE2 3.59Å; M104-F116 HydrophobicContact CG-CG 3.68Å; M104-F116 HydrophobicContact CG-CZ 3.88Å; I106-F116 HydrophobicContact CD1-CD2 4.45Å; I106-F116 HydrophobicContact CD1-CE2 3.38Å; I106-F116 HydrophobicContact CD1-CZ 3.87Å; I106-F116 HydrophobicContact CG1-CE2 4.42Å; Y111-F116 HydrophobicContact CD2-CD2 4.39Å; Y111-F116 HydrophobicContact CG-CD2 4.15Å; H112-F116 PolarHBondContact O-N 3.33Å; L113-F116 PolarHBondContact O-N 2.74Å; F116-F125 AromaticContact CD1-CD2 3.73Å; F116-F125 HydrophobicContact CD1-CD2 3.73Å; F116-F125 HydrophobicContact CD1-CE2 4.31Å; F116-F125 AromaticContact CE1-CD2 3.39Å; F116-F125 HydrophobicContact CE1-CD2 3.39Å; F116-F125 AromaticContact CE1-CE2 3.85Å; F116-F125 HydrophobicContact CE1-CE2 3.85Å; F116-F125 HydrophobicContact CE1-CG 4.28Å; F116-F125 HydrophobicContact CZ-CD2 4.22Å; F116-F125 HydrophobicContact CZ-CE2 4.25Å; F116-F131 HydrophobicContact CE1-CD1 4.29Å; F116-F131 HydrophobicContact CE1-CE1 4.23Å; F116-F131 HydrophobicContact CE1-CZ 4.49Å; F116-F131 HydrophobicContact CE2-CE2 4.44Å; F116-F131 HydrophobicContact CZ-CD1 4.06Å; F116-F131 AromaticContact CZ-CD2 3.97Å; F116-F131 HydrophobicContact CZ-CD2 3.97Å; F116-F131 AromaticContact CZ-CE1 3.86Å; F116-F131 HydrophobicContact CZ-CE1 3.86Å; F116-F131 AromaticContact CZ-CE2 3.77Å; F116-F131 HydrophobicContact CZ-CE2 3.77Å; F116-F131 HydrophobicContact CZ-CG 4.11Å; F116-F131 AromaticContact CZ-CZ 3.7Å; F116-F131 HydrophobicContact CZ-CZ 3.7Å; F116-I138 HydrophobicContact CD2-CD1 3.66Å; F116-I138 HydrophobicContact CE2-CD1 3.47Å; F116-I138 VanDerWaalsContact CE2-CD1 3.47Å; F116-I138 HydrophobicContact CE2-CG1 4.1Å; F116-I138 HydrophobicContact CE2-CG2 4.05Å; F116-I138 HydrophobicContact CZ-CG2 4.1Å; F116-M207 HydrophobicContact CD1-CE 3.85Å; F116-M207 HydrophobicContact CD1-SD 3.95Å; F116-M207 HydrophobicContact CE1-CE 3.85Å; F116-M207 HydrophobicContact CE1-SD 3.3Å; F116-M207 WeakPolarHBondContact CE1-SD 3.14Å; F116-M207 HydrophobicContact CZ-SD 4.17Å
117	C	94.6	Very high	92.1	Very high	12 Å²	12	68 Å²	68	8%	0.081	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-151.1	164.9	-178.4	56.7	0	0	0	0	109.1	C115 Q119 M123 R124	C115-C117 PolarHBondContact O-N 3.26Å; C115-C117 VanDerWaalsContact O-N 3.12Å; C117-Q119 PolarHBondContact O-N 3.29Å; C117-M123 WeakPolarHBondContact CA-O 3.47Å; C117-M123 VanDerWaalsContact CB-O 3.29Å; C117-M123 WeakPolarHBondContact CB-O 3.24Å; C117-R124 HydrophobicContact CB-CG 4.25Å
118	C	95.6	Very high	92.2	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.348	C	S	.	.			trans	-63.5	126.1	172.8	177.1	0	0	0	0	109.7	H120 C121 Q122 M123 F125 I138 C140 D143	C118-H120 PolarHBondContact O-N 3.42Å; C118-H120 PolarHBondContact SG-N 2.83Å; C118-C121 VanDerWaalsContact CB-SG 3.51Å; C118-C121 VanDerWaalsContact SG-SG 3.61Å; C118-Q122 WeakPolarHBondContact O-CA 3.24Å; C118-Q122 PolarHBondContact O-N 2.96Å; C118-M123 PolarHBondContact N-O 3.44Å; C118-F125 HydrophobicContact CB-CZ 4.01Å; C118-I138 CarbonylContact C-O 3.59Å; C118-I138 WeakPolarHBondContact CA-O 2.88Å; C118-C140 HydrophobicContact CB-CB 4.01Å; C118-C140 PolarHBondContact SG-N 3.33Å; C118-C140 VanDerWaalsContact SG-N 3.36Å; C118-D143 PolarHBondContact SG-OD2 3.15Å
119	Q	94.9	Very high	92.4	Very high	69 Å²	69	61 Å²	61	32%	0.322	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-15.4	-177.6	-72.3	174.2	-79.9	0	0	113.5	I92 C117 Q122 I137 I138	I92-Q119 HydrophobicContact CD1-CG 4.23Å; C117-Q119 PolarHBondContact O-N 3.29Å; Q119-Q122 PolarHBondContact O-NE2 2.88Å; Q119-I137 HydrophobicContact CB-CG2 4.03Å; Q119-I137 VanDerWaalsContact OE1-CG2 3.29Å; Q119-I138 PolarHBondContact N-O 3.04Å
120	H	94.4	Very high	92.4	Very high	104 Å²	104	64.6 Å²	64.6	48%	0.481	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-64.1	177.5	-173.3	-98.3	0	0	0	111.4	C118 L139 D143	C118-H120 PolarHBondContact O-N 3.42Å; C118-H120 PolarHBondContact SG-N 2.83Å; H120-L139 HydrophobicContact CB-CD2 3.9Å; H120-D143 HydrophobicContact CB-CB 4.26Å; H120-D143 WeakPolarHBondContact CB-OD2 3.35Å; H120-D143 IonicContact CG-OD2 3.75Å; H120-D143 VanDerWaalsContact ND1-CG 3.35Å; H120-D143 IonicContact ND1-OD1 3.46Å; H120-D143 PolarHBondContact ND1-OD1 3.27Å; H120-D143 IonicContact ND1-OD2 3.34Å; H120-D143 PolarHBondContact ND1-OD2 3.49Å
121	C	96.2	Very high	92.5	Very high	49 Å²	49	63.3 Å²	63.3	33%	0.331	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-6.8	178.4	64.2	0	0	0	0	115.9	C118 M123 D143	C118-C121 VanDerWaalsContact CB-SG 3.51Å; C118-C121 VanDerWaalsContact SG-SG 3.61Å; C121-M123 HydrophobicContact CB-CG 4.18Å; C121-M123 PolarHBondContact O-N 2.89Å; C121-M123 VanDerWaalsContact O-N 3.09Å; C121-M123 VanDerWaalsContact SG-CB 3.59Å; C121-D143 WeakPolarHBondContact CB-OD2 3.33Å; C121-D143 PolarHBondContact N-OD2 3.49Å; C121-D143 VanDerWaalsContact N-OD2 3.09Å; C121-D143 PolarHBondContact SG-OD2 3.14Å
122	Q	95.3	Very high	92.5	Very high	124 Å²	124	64 Å²	64	58%	0.579	33%	0.329	S	S	*	.			trans	61.2	12.4	-176.2	-58.7	-65.9	-37.3	0	0	114.8	C118 Q119	C118-Q122 WeakPolarHBondContact O-CA 3.24Å; C118-Q122 PolarHBondContact O-N 2.96Å; Q119-Q122 PolarHBondContact O-NE2 2.88Å
123	M	94.3	Very high	92.4	Very high	127 Å²	127	63.4 Å²	63.4	63%	0.626	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-74.6	137.2	177.5	-67.6	-62	-66.5	0	0	111.5	C117 C118 C121	C117-M123 WeakPolarHBondContact CA-O 3.47Å; C117-M123 VanDerWaalsContact CB-O 3.29Å; C117-M123 WeakPolarHBondContact CB-O 3.24Å; C118-M123 PolarHBondContact N-O 3.44Å; C121-M123 HydrophobicContact CB-CG 4.18Å; C121-M123 PolarHBondContact O-N 2.89Å; C121-M123 VanDerWaalsContact O-N 3.09Å; C121-M123 VanDerWaalsContact SG-CB 3.59Å
124	R	93.2	Very high	92.3	Very high	173 Å²	173	61.6 Å²	61.6	65%	0.653	32%	0.316	S	S	*	.	B	Isolated β-bridge	trans	-80.9	146.2	173.7	-69.1	-178.8	174	143.3	2.2	110.6	C117	C117-R124 HydrophobicContact CB-CG 4.25Å
125	F	91.2	Very high	92.1	Very high	28 Å²	28	65 Å²	65	12%	0.123	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-85.2	139	178.2	-57.2	-72.3	0	0	0	111.8	F116 C118 D129 F131 I138 C140 M207	F116-F125 AromaticContact CD1-CD2 3.73Å; F116-F125 HydrophobicContact CD1-CD2 3.73Å; F116-F125 HydrophobicContact CD1-CE2 4.31Å; F116-F125 AromaticContact CE1-CD2 3.39Å; F116-F125 HydrophobicContact CE1-CD2 3.39Å; F116-F125 AromaticContact CE1-CE2 3.85Å; F116-F125 HydrophobicContact CE1-CE2 3.85Å; F116-F125 HydrophobicContact CE1-CG 4.28Å; F116-F125 HydrophobicContact CZ-CD2 4.22Å; F116-F125 HydrophobicContact CZ-CE2 4.25Å; C118-F125 HydrophobicContact CB-CZ 4.01Å; F125-D129 HydrophobicContact CB-CB 4.32Å; F125-D129 HydrophobicContact CD1-CB 4.28Å; F125-F131 HydrophobicContact CD1-CB 4.19Å; F125-F131 HydrophobicContact CE1-CB 3.67Å; F125-F131 HydrophobicContact CE2-CB 4.21Å; F125-F131 HydrophobicContact CZ-CB 3.67Å; F125-I138 HydrophobicContact CE2-CG2 3.62Å; F125-I138 HydrophobicContact CZ-CG2 3.87Å; F125-C140 HydrophobicContact CE1-CB 3.68Å; F125-C140 HydrophobicContact CZ-CB 4.3Å; F125-M207 HydrophobicContact CB-CE 4.27Å; F125-M207 HydrophobicContact CB-SD 4.27Å
126	C	89.8	Confident	91.7	Very high	82 Å²	82	69.1 Å²	69.1	55%	0.554	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-89.2	163.8	166.7	-69.1	0	0	0	0	111.2	G128 D129	C126-G128 PolarHBondContact O-N 2.9Å; C126-D129 WeakPolarHBondContact CB-OD2 3.41Å; C126-D129 PolarHBondContact N-OD2 3.26Å; C126-D129 WeakPolarHBondContact O-CB 3.47Å; C126-D129 PolarHBondContact O-N 2.91Å; C126-D129 VanDerWaalsContact O-N 3.12Å
127	I	86.6	Confident	91.6	Very high	157 Å²	157	72.2 Å²	72.2	81%	0.805	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	125.7	172.5	-61.5	171.2	0	0	0	108.4
128	G	87.2	Confident	91.6	Very high	38 Å²	38	71.7 Å²	71.7	39%	0.392	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.5	-17	-176.9	0	0	0	0	0	114.1	C126	C126-G128 PolarHBondContact O-N 2.9Å
129	D	89.8	Confident	91.5	Very high	69 Å²	69	72 Å²	72	37%	0.369	36%	0.359	S	S	.	.			trans	-65.9	145.5	175.1	-68.6	-6.8	0	0	0	110.8	F125 C126	F125-D129 HydrophobicContact CB-CB 4.32Å; F125-D129 HydrophobicContact CD1-CB 4.28Å; C126-D129 WeakPolarHBondContact CB-OD2 3.41Å; C126-D129 PolarHBondContact N-OD2 3.26Å; C126-D129 WeakPolarHBondContact O-CB 3.47Å; C126-D129 PolarHBondContact O-N 2.91Å; C126-D129 VanDerWaalsContact O-N 3.12Å
130	R	89.6	Confident	91.5	Very high	107 Å²	107	69.7 Å²	69.7	40%	0.404	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	138.9	174.5	-64.6	-173.8	-72.1	-81.3	2.6	109.8	E141	R130-E141 IonicContact CZ-OE1 3.22Å; R130-E141 VanDerWaalsContact CZ-OE1 3.23Å; R130-E141 IonicContact CZ-OE2 3.74Å; R130-E141 VanDerWaalsContact CZ-OE2 3.22Å; R130-E141 VanDerWaalsContact NE-CD 3.29Å; R130-E141 IonicContact NE-OE1 3.15Å; R130-E141 PolarHBondContact NE-OE1 3.3Å; R130-E141 IonicContact NE-OE2 2.72Å; R130-E141 PolarHBondContact NE-OE2 2.74Å; R130-E141 VanDerWaalsContact NE-OE2 3.15Å; R130-E141 IonicContact NH2-OE1 2.81Å; R130-E141 PolarHBondContact NH2-OE1 2.91Å; R130-E141 IonicContact NH2-OE2 2.95Å; R130-E141 PolarHBondContact NH2-OE2 2.82Å
131	F	92.3	Very high	91.3	Very high	3 Å²	3	67.2 Å²	67.2	1%	0.013	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	158.7	172.9	71.6	-91.6	0	0	0	110.3	I106 F116 F125 I138 L139 Y205 M207	I106-F131 HydrophobicContact CD1-CD2 4.47Å; I106-F131 HydrophobicContact CD1-CE2 3.44Å; I106-F131 VanDerWaalsContact CD1-CE2 3.44Å; I106-F131 HydrophobicContact CD1-CZ 3.81Å; I106-F131 HydrophobicContact CG1-CE2 4.19Å; I106-F131 HydrophobicContact CG1-CZ 4.17Å; F116-F131 HydrophobicContact CE1-CD1 4.29Å; F116-F131 HydrophobicContact CE1-CE1 4.23Å; F116-F131 HydrophobicContact CE1-CZ 4.49Å; F116-F131 HydrophobicContact CE2-CE2 4.44Å; F116-F131 HydrophobicContact CZ-CD1 4.06Å; F116-F131 AromaticContact CZ-CD2 3.97Å; F116-F131 HydrophobicContact CZ-CD2 3.97Å; F116-F131 AromaticContact CZ-CE1 3.86Å; F116-F131 HydrophobicContact CZ-CE1 3.86Å; F116-F131 AromaticContact CZ-CE2 3.77Å; F116-F131 HydrophobicContact CZ-CE2 3.77Å; F116-F131 HydrophobicContact CZ-CG 4.11Å; F116-F131 AromaticContact CZ-CZ 3.7Å; F116-F131 HydrophobicContact CZ-CZ 3.7Å; F125-F131 HydrophobicContact CD1-CB 4.19Å; F125-F131 HydrophobicContact CE1-CB 3.67Å; F125-F131 HydrophobicContact CE2-CB 4.21Å; F125-F131 HydrophobicContact CZ-CB 3.67Å; F131-I138 HydrophobicContact CD2-CG2 4.26Å; F131-L139 WeakPolarHBondContact CA-O 3.09Å; F131-L139 WeakPolarHBondContact CB-O 3.16Å; F131-Y205 VanDerWaalsContact CE2-CB 3.49Å; F131-Y205 HydrophobicContact CE2-CD2 4.02Å; F131-Y205 HydrophobicContact CE2-CG 4.06Å; F131-Y205 HydrophobicContact CZ-CG 4.13Å; F131-Y205 PolarHBondContact O-N 3.39Å; F131-M207 HydrophobicContact CD1-CG 4.49Å; F131-M207 HydrophobicContact CD1-SD 4.08Å; F131-M207 HydrophobicContact CE1-CG 4.34Å; F131-M207 HydrophobicContact CE1-SD 3.79Å
132	Y	92.4	Very high	91.1	Very high	15 Å²	15	70.7 Å²	70.7	6%	0.059	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	140.7	-178.6	-64.8	-94.4	0	0	0	109.1	L139 E141 Y144 K204	Y132-L139 PolarHBondContact N-O 3.23Å; Y132-L139 PolarHBondContact O-N 3.1Å; Y132-E141 HydrophobicContact CE2-CB 3.98Å; Y132-E141 HydrophobicContact CE2-CG 4.09Å; Y132-Y144 VanDerWaalsContact CB-CD2 3.48Å; Y132-Y144 AromaticContact CD1-CD1 3.74Å; Y132-Y144 HydrophobicContact CD1-CD1 3.74Å; Y132-Y144 HydrophobicContact CD1-CD2 4.25Å; Y132-Y144 AromaticContact CD1-CE1 3.58Å; Y132-Y144 HydrophobicContact CD1-CE1 3.58Å; Y132-Y144 HydrophobicContact CD1-CE2 4.11Å; Y132-Y144 HydrophobicContact CD1-CG 4.07Å; Y132-Y144 AromaticContact CD1-CZ 3.79Å; Y132-Y144 AromaticContact CD2-CD1 3.66Å; Y132-Y144 HydrophobicContact CD2-CD1 3.66Å; Y132-Y144 HydrophobicContact CD2-CD2 4.34Å; Y132-Y144 HydrophobicContact CD2-CE1 4.36Å; Y132-Y144 AromaticContact CD2-CG 3.65Å; Y132-Y144 HydrophobicContact CD2-CG 3.65Å; Y132-Y144 AromaticContact CE1-CD1 3.92Å; Y132-Y144 HydrophobicContact CE1-CD1 3.92Å; Y132-Y144 AromaticContact CE1-CE1 3.71Å; Y132-Y144 HydrophobicContact CE1-CE1 3.71Å; Y132-Y144 AromaticContact CE2-CD1 3.88Å; Y132-Y144 HydrophobicContact CE2-CD1 3.88Å; Y132-Y144 HydrophobicContact CE2-CE1 4.5Å; Y132-Y144 HydrophobicContact CE2-CG 4.32Å; Y132-Y144 AromaticContact CG-CD1 3.6Å; Y132-Y144 HydrophobicContact CG-CD1 3.6Å; Y132-Y144 AromaticContact CG-CD2 3.78Å; Y132-Y144 HydrophobicContact CG-CD2 3.78Å; Y132-Y144 AromaticContact CG-CE1 3.92Å; Y132-Y144 HydrophobicContact CG-CE1 3.92Å; Y132-Y144 HydrophobicContact CG-CE2 4.1Å; Y132-Y144 AromaticContact CG-CG 3.52Å; Y132-Y144 HydrophobicContact CG-CG 3.52Å; Y132-Y144 AromaticContact CZ-CD1 3.99Å; Y132-K204 HydrophobicContact CD1-CB 4.4Å; Y132-K204 HydrophobicContact CE1-CB 3.99Å; Y132-K204 HydrophobicContact CE1-CD 4.47Å; Y132-K204 HydrophobicContact CE1-CG 3.99Å
133	L	92	Very high	91.1	Very high	5 Å²	5	65.2 Å²	65.2	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	106.6	173.3	-175.6	72.4	0	0	0	108.4	I106 K107 I137 I138 Y205	I106-L133 HydrophobicContact CG2-CD2 3.66Å; K107-L133 HydrophobicContact CD-CD2 4.24Å; L133-I137 WeakPolarHBondContact CA-O 3.49Å; L133-I138 HydrophobicContact CD1-CG1 3.84Å; L133-Y205 HydrophobicContact CB-CD2 4.19Å; L133-Y205 HydrophobicContact CB-CE2 3.89Å; L133-Y205 HydrophobicContact CD2-CE2 4.43Å
134	H	89.7	Confident	91	Very high	34 Å²	34	59.6 Å²	59.6	16%	0.157	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.6	179.6	-176.2	83.5	0	0	0	109.5	N136 I137 F148 N202	H134-N136 PolarHBondContact O-N 3.23Å; H134-N136 VanDerWaalsContact O-N 3.14Å; H134-I137 PolarHBondContact N-O 3.31Å; H134-I137 WeakPolarHBondContact O-CA 3.25Å; H134-I137 VanDerWaalsContact O-CB 3.24Å; H134-I137 WeakPolarHBondContact O-CB 3.39Å; H134-I137 PolarHBondContact O-N 3.39Å; H134-F148 HydrophobicContact CB-CE2 4.49Å; H134-F148 AromaticContact CD2-CZ 3.41Å; H134-F148 VanDerWaalsContact CD2-CZ 3.41Å; H134-F148 WeakPolarHBondContact CD2-CZ 3.32Å; H134-F148 AromaticContact CE1-CE1 3.96Å; H134-F148 AromaticContact CE1-CZ 3.97Å; H134-F148 AromaticContact CG-CZ 3.89Å; H134-F148 AromaticContact NE2-CE1 3.66Å; H134-F148 AromaticContact NE2-CZ 3.47Å; H134-F148 WeakPolarHBondContact NE2-CZ 3.5Å; H134-N202 PolarHBondContact ND1-ND2 2.94Å
135	E	87.1	Confident	90.9	Very high	143 Å²	143	55.1 Å²	55.1	67%	0.668	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	35.2	-177.7	-61.5	-172.6	161	0	0	114.7	I137	E135-I137 PolarHBondContact O-N 2.75Å
136	N	86.9	Confident	90.8	Very high	106 Å²	106	60 Å²	60	57%	0.567	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.9	12	-171.9	-50.3	-57.3	0	0	0	115.3	H134	H134-N136 PolarHBondContact O-N 3.23Å; H134-N136 VanDerWaalsContact O-N 3.14Å
137	I	91.6	Very high	90.9	Very high	72 Å²	72	60 Å²	60	37%	0.369	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	128	172.5	-54.7	178.8	0	0	0	109.6	Q119 L133 H134 E135 L139	Q119-I137 HydrophobicContact CB-CG2 4.03Å; Q119-I137 VanDerWaalsContact OE1-CG2 3.29Å; L133-I137 WeakPolarHBondContact CA-O 3.49Å; H134-I137 PolarHBondContact N-O 3.31Å; H134-I137 WeakPolarHBondContact O-CA 3.25Å; H134-I137 VanDerWaalsContact O-CB 3.24Å; H134-I137 WeakPolarHBondContact O-CB 3.39Å; H134-I137 PolarHBondContact O-N 3.39Å; E135-I137 PolarHBondContact O-N 2.75Å; I137-L139 HydrophobicContact CG2-CD2 3.99Å; I137-L139 HydrophobicContact CG2-CG 4.12Å
138	I	93.1	Very high	91	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.5	178.7	-60.3	157	0	0	0	109.2	Y111 F116 C118 Q119 F125 F131 L133	Y111-I138 HydrophobicContact CD1-CD1 3.86Å; Y111-I138 HydrophobicContact CE1-CD1 3.61Å; Y111-I138 HydrophobicContact CE2-CD1 4.46Å; Y111-I138 HydrophobicContact CG-CD1 4.41Å; F116-I138 HydrophobicContact CD2-CD1 3.66Å; F116-I138 HydrophobicContact CE2-CD1 3.47Å; F116-I138 VanDerWaalsContact CE2-CD1 3.47Å; F116-I138 HydrophobicContact CE2-CG1 4.1Å; F116-I138 HydrophobicContact CE2-CG2 4.05Å; F116-I138 HydrophobicContact CZ-CG2 4.1Å; C118-I138 CarbonylContact C-O 3.59Å; C118-I138 WeakPolarHBondContact CA-O 2.88Å; Q119-I138 PolarHBondContact N-O 3.04Å; F125-I138 HydrophobicContact CE2-CG2 3.62Å; F125-I138 HydrophobicContact CZ-CG2 3.87Å; F131-I138 HydrophobicContact CD2-CG2 4.26Å; L133-I138 HydrophobicContact CD1-CG1 3.84Å
139	L	94.3	Very high	90.8	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.037	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.9	-178.2	-62.7	172.9	0	0	0	111.2	H120 F131 Y132 I137 Y144 L147 F148	H120-L139 HydrophobicContact CB-CD2 3.9Å; F131-L139 WeakPolarHBondContact CA-O 3.09Å; F131-L139 WeakPolarHBondContact CB-O 3.16Å; Y132-L139 PolarHBondContact N-O 3.23Å; Y132-L139 PolarHBondContact O-N 3.1Å; I137-L139 HydrophobicContact CG2-CD2 3.99Å; I137-L139 HydrophobicContact CG2-CG 4.12Å; L139-Y144 HydrophobicContact CD1-CD2 4.25Å; L139-L147 HydrophobicContact CD1-CD1 3.97Å; L139-L147 HydrophobicContact CD2-CD1 4.17Å; L139-F148 HydrophobicContact CD1-CE2 3.86Å
140	C	93.8	Very high	90.4	Very high	20 Å²	20	59.9 Å²	59.9	14%	0.135	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	160.5	168.7	71.7	0	0	0	0	110.1	C118 F125 H142 D143 Y144	C118-C140 HydrophobicContact CB-CB 4.01Å; C118-C140 PolarHBondContact SG-N 3.33Å; C118-C140 VanDerWaalsContact SG-N 3.36Å; F125-C140 HydrophobicContact CE1-CB 3.68Å; F125-C140 HydrophobicContact CZ-CB 4.3Å; C140-H142 PolarHBondContact O-N 2.95Å; C140-D143 PolarHBondContact O-N 2.86Å; C140-D143 VanDerWaalsContact SG-CG 3.53Å; C140-D143 PolarHBondContact SG-N 2.85Å; C140-D143 VanDerWaalsContact SG-N 3.35Å; C140-Y144 WeakPolarHBondContact O-CB 3.06Å; C140-Y144 PolarHBondContact O-N 3.16Å
141	E	90.7	Very high	89.7	Confident	53 Å²	53	58.1 Å²	58.1	25%	0.248	29%	0.287	C	S	.	.	H	α-helix	trans	-53.6	-40.5	178.8	-179	171	-144.9	0	0	112.7	R130 Y132 M145	R130-E141 IonicContact CZ-OE1 3.22Å; R130-E141 VanDerWaalsContact CZ-OE1 3.23Å; R130-E141 IonicContact CZ-OE2 3.74Å; R130-E141 VanDerWaalsContact CZ-OE2 3.22Å; R130-E141 VanDerWaalsContact NE-CD 3.29Å; R130-E141 IonicContact NE-OE1 3.15Å; R130-E141 PolarHBondContact NE-OE1 3.3Å; R130-E141 IonicContact NE-OE2 2.72Å; R130-E141 PolarHBondContact NE-OE2 2.74Å; R130-E141 VanDerWaalsContact NE-OE2 3.15Å; R130-E141 IonicContact NH2-OE1 2.81Å; R130-E141 PolarHBondContact NH2-OE1 2.91Å; R130-E141 IonicContact NH2-OE2 2.95Å; R130-E141 PolarHBondContact NH2-OE2 2.82Å; Y132-E141 HydrophobicContact CE2-CB 3.98Å; Y132-E141 HydrophobicContact CE2-CG 4.09Å; E141-M145 HydrophobicContact CG-CE 3.86Å; E141-M145 HydrophobicContact CG-SD 4.3Å; E141-M145 WeakPolarHBondContact O-CE 3.43Å; E141-M145 VanDerWaalsContact O-CG 3.28Å; E141-M145 WeakPolarHBondContact O-CG 3.4Å; E141-M145 PolarHBondContact O-N 2.82Å
142	H	92.4	Very high	88.5	Confident	122 Å²	122	62.6 Å²	62.6	57%	0.565	31%	0.307	S	S	*	.	H	α-helix	trans	-62.3	-57.9	178.7	-174.8	69	0	0	0	112.6	C140 Y144 M145 E146	C140-H142 PolarHBondContact O-N 2.95Å; H142-Y144 PolarHBondContact O-N 2.74Å; H142-M145 PolarHBondContact O-N 3.39Å; H142-E146 PolarHBondContact O-N 2.94Å
143	D	94.5	Very high	86.9	Confident	8 Å²	8	66.4 Å²	66.4	4%	0.043	33%	0.332	C	S	.	.	H	α-helix	trans	-63.6	-34	-179	-69.3	-18.8	0	0	0	111.3	C118 H120 C121 C140 E146 L147	C118-D143 PolarHBondContact SG-OD2 3.15Å; H120-D143 HydrophobicContact CB-CB 4.26Å; H120-D143 WeakPolarHBondContact CB-OD2 3.35Å; H120-D143 IonicContact CG-OD2 3.75Å; H120-D143 VanDerWaalsContact ND1-CG 3.35Å; H120-D143 IonicContact ND1-OD1 3.46Å; H120-D143 PolarHBondContact ND1-OD1 3.27Å; H120-D143 IonicContact ND1-OD2 3.34Å; H120-D143 PolarHBondContact ND1-OD2 3.49Å; C121-D143 WeakPolarHBondContact CB-OD2 3.33Å; C121-D143 PolarHBondContact N-OD2 3.49Å; C121-D143 VanDerWaalsContact N-OD2 3.09Å; C121-D143 PolarHBondContact SG-OD2 3.14Å; C140-D143 PolarHBondContact O-N 2.86Å; C140-D143 VanDerWaalsContact SG-CG 3.53Å; C140-D143 PolarHBondContact SG-N 2.85Å; C140-D143 VanDerWaalsContact SG-N 3.35Å; D143-E146 PolarHBondContact O-N 3.5Å; D143-L147 VanDerWaalsContact O-CB 3.3Å; D143-L147 WeakPolarHBondContact O-CB 3.3Å; D143-L147 WeakPolarHBondContact O-CD1 3.38Å; D143-L147 WeakPolarHBondContact O-CG 3.35Å; D143-L147 PolarHBondContact O-N 3.17Å
144	Y	92.1	Very high	84.8	Confident	10 Å²	10	76 Å²	76	4%	0.039	37%	0.367	C	S	.	.	H	α-helix	trans	-65.3	-44.4	176.5	178.6	-96.8	0	0	0	112.2	Y132 L139 C140 H142 E146 F148 L151 F152 N202	Y132-Y144 VanDerWaalsContact CB-CD2 3.48Å; Y132-Y144 AromaticContact CD1-CD1 3.74Å; Y132-Y144 HydrophobicContact CD1-CD1 3.74Å; Y132-Y144 HydrophobicContact CD1-CD2 4.25Å; Y132-Y144 AromaticContact CD1-CE1 3.58Å; Y132-Y144 HydrophobicContact CD1-CE1 3.58Å; Y132-Y144 HydrophobicContact CD1-CE2 4.11Å; Y132-Y144 HydrophobicContact CD1-CG 4.07Å; Y132-Y144 AromaticContact CD1-CZ 3.79Å; Y132-Y144 AromaticContact CD2-CD1 3.66Å; Y132-Y144 HydrophobicContact CD2-CD1 3.66Å; Y132-Y144 HydrophobicContact CD2-CD2 4.34Å; Y132-Y144 HydrophobicContact CD2-CE1 4.36Å; Y132-Y144 AromaticContact CD2-CG 3.65Å; Y132-Y144 HydrophobicContact CD2-CG 3.65Å; Y132-Y144 AromaticContact CE1-CD1 3.92Å; Y132-Y144 HydrophobicContact CE1-CD1 3.92Å; Y132-Y144 AromaticContact CE1-CE1 3.71Å; Y132-Y144 HydrophobicContact CE1-CE1 3.71Å; Y132-Y144 AromaticContact CE2-CD1 3.88Å; Y132-Y144 HydrophobicContact CE2-CD1 3.88Å; Y132-Y144 HydrophobicContact CE2-CE1 4.5Å; Y132-Y144 HydrophobicContact CE2-CG 4.32Å; Y132-Y144 AromaticContact CG-CD1 3.6Å; Y132-Y144 HydrophobicContact CG-CD1 3.6Å; Y132-Y144 AromaticContact CG-CD2 3.78Å; Y132-Y144 HydrophobicContact CG-CD2 3.78Å; Y132-Y144 AromaticContact CG-CE1 3.92Å; Y132-Y144 HydrophobicContact CG-CE1 3.92Å; Y132-Y144 HydrophobicContact CG-CE2 4.1Å; Y132-Y144 AromaticContact CG-CG 3.52Å; Y132-Y144 HydrophobicContact CG-CG 3.52Å; Y132-Y144 AromaticContact CZ-CD1 3.99Å; L139-Y144 HydrophobicContact CD1-CD2 4.25Å; C140-Y144 WeakPolarHBondContact O-CB 3.06Å; C140-Y144 PolarHBondContact O-N 3.16Å; H142-Y144 PolarHBondContact O-N 2.74Å; Y144-E146 VanDerWaalsContact C-N 3.33Å; Y144-E146 PolarHBondContact O-N 3.01Å; Y144-F148 AromaticContact CD2-CD2 3.69Å; Y144-F148 HydrophobicContact CD2-CD2 3.69Å; Y144-F148 HydrophobicContact CD2-CE2 4.17Å; Y144-F148 AromaticContact CE2-CD2 3.73Å; Y144-F148 HydrophobicContact CE2-CD2 3.73Å; Y144-F148 HydrophobicContact CE2-CE2 4.3Å; Y144-F148 HydrophobicContact CE2-CG 4.42Å; Y144-F148 HydrophobicContact CG-CD2 4.42Å; Y144-F148 WeakPolarHBondContact O-CD2 3.45Å; Y144-F148 PolarHBondContact O-N 2.8Å; Y144-L151 WeakPolarHBondContact OH-CD1 3.14Å; Y144-F152 AromaticContact CD1-CE2 3.64Å; Y144-F152 HydrophobicContact CD1-CE2 3.64Å; Y144-F152 AromaticContact CD1-CZ 3.67Å; Y144-F152 HydrophobicContact CD1-CZ 3.67Å; Y144-F152 AromaticContact CE1-CE2 3.4Å; Y144-F152 HydrophobicContact CE1-CE2 3.4Å; Y144-F152 VanDerWaalsContact CE1-CE2 3.4Å; Y144-F152 AromaticContact CE1-CZ 3.42Å; Y144-F152 HydrophobicContact CE1-CZ 3.42Å; Y144-F152 VanDerWaalsContact CE1-CZ 3.42Å; Y144-N202 WeakPolarHBondContact CE2-ND2 3.46Å; Y144-N202 WeakPolarHBondContact CE2-OD1 3.3Å; Y144-N202 PolarHBondContact OH-ND2 3.03Å; Y144-N202 PolarHBondContact OH-OD1 3.44Å
145	M	90.9	Very high	82.6	Confident	79 Å²	79	80.7 Å²	80.7	39%	0.389	39%	0.394	S	S	.	.	H	α-helix	trans	-65.1	-36.1	175.5	-72.4	-176.7	-58.4	0	0	112.4	E141 H142 P149 F152	E141-M145 HydrophobicContact CG-CE 3.86Å; E141-M145 HydrophobicContact CG-SD 4.3Å; E141-M145 WeakPolarHBondContact O-CE 3.43Å; E141-M145 VanDerWaalsContact O-CG 3.28Å; E141-M145 WeakPolarHBondContact O-CG 3.4Å; E141-M145 PolarHBondContact O-N 2.82Å; H142-M145 PolarHBondContact O-N 3.39Å; M145-P149 WeakPolarHBondContact O-CA 3.16Å; M145-F152 HydrophobicContact CB-CE2 4.25Å; M145-F152 HydrophobicContact CG-CD2 4.13Å; M145-F152 HydrophobicContact CG-CE1 4.48Å; M145-F152 HydrophobicContact CG-CE2 3.55Å; M145-F152 HydrophobicContact CG-CZ 3.72Å
146	E	91.1	Very high	80.6	Confident	129 Å²	129	81 Å²	81	60%	0.603	40%	0.399	S	S	*	.	H	α-helix	trans	-70.6	-40.9	178.3	-173.5	175.2	175.7	0	0	112.4	H142 D143 Y144	H142-E146 PolarHBondContact O-N 2.94Å; D143-E146 PolarHBondContact O-N 3.5Å; Y144-E146 VanDerWaalsContact C-N 3.33Å; Y144-E146 PolarHBondContact O-N 3.01Å
147	L	90.7	Very high	78	Confident	82 Å²	82	83.4 Å²	83.4	43%	0.429	41%	0.411	S	S	.	.	H	α-helix	trans	-77.2	-30.8	180	-68.3	169.5	0	0	0	112.6	L139 D143 P149	L139-L147 HydrophobicContact CD1-CD1 3.97Å; L139-L147 HydrophobicContact CD2-CD1 4.17Å; D143-L147 VanDerWaalsContact O-CB 3.3Å; D143-L147 WeakPolarHBondContact O-CB 3.3Å; D143-L147 WeakPolarHBondContact O-CD1 3.38Å; D143-L147 WeakPolarHBondContact O-CG 3.35Å; D143-L147 PolarHBondContact O-N 3.17Å; L147-P149 VanDerWaalsContact C-CD 3.43Å
148	F	89.1	Confident	75.4	Confident	55 Å²	55	85.9 Å²	85.9	24%	0.241	42%	0.424	C	S	.	.			trans	-129.3	57	-175.4	-52.4	-76.7	0	0	0	113.5	H134 L139 Y144 H150 L151	H134-F148 HydrophobicContact CB-CE2 4.49Å; H134-F148 AromaticContact CD2-CZ 3.41Å; H134-F148 VanDerWaalsContact CD2-CZ 3.41Å; H134-F148 WeakPolarHBondContact CD2-CZ 3.32Å; H134-F148 AromaticContact CE1-CE1 3.96Å; H134-F148 AromaticContact CE1-CZ 3.97Å; H134-F148 AromaticContact CG-CZ 3.89Å; H134-F148 AromaticContact NE2-CE1 3.66Å; H134-F148 AromaticContact NE2-CZ 3.47Å; H134-F148 WeakPolarHBondContact NE2-CZ 3.5Å; L139-F148 HydrophobicContact CD1-CE2 3.86Å; Y144-F148 AromaticContact CD2-CD2 3.69Å; Y144-F148 HydrophobicContact CD2-CD2 3.69Å; Y144-F148 HydrophobicContact CD2-CE2 4.17Å; Y144-F148 AromaticContact CE2-CD2 3.73Å; Y144-F148 HydrophobicContact CE2-CD2 3.73Å; Y144-F148 HydrophobicContact CE2-CE2 4.3Å; Y144-F148 HydrophobicContact CE2-CG 4.42Å; Y144-F148 HydrophobicContact CG-CD2 4.42Å; Y144-F148 WeakPolarHBondContact O-CD2 3.45Å; Y144-F148 PolarHBondContact O-N 2.8Å; F148-H150 PolarHBondContact O-N 2.94Å; F148-L151 HydrophobicContact CB-CD1 3.73Å; F148-L151 HydrophobicContact CB-CG 4.04Å; F148-L151 HydrophobicContact CD1-CD1 4.5Å; F148-L151 HydrophobicContact CG-CD1 4.2Å; F148-L151 PolarHBondContact O-N 2.84Å
149	P	82.6	Confident	72.3	Confident	59 Å²	59	91.7 Å²	91.7	38%	0.383	46%	0.462	S	S	.	.	G	3₁₀ helix	trans	-61.6	-32.1	-177.2	25	-34.4	0	0	0	112.3	M145 L147 L151 F152 T153	M145-P149 WeakPolarHBondContact O-CA 3.16Å; L147-P149 VanDerWaalsContact C-CD 3.43Å; P149-L151 PolarHBondContact O-N 2.72Å; P149-F152 PolarHBondContact O-N 3.26Å; P149-F152 VanDerWaalsContact O-N 3.13Å; P149-T153 PolarHBondContact O-N 3.23Å
150	H	81.5	Confident	69.3	Low	148 Å²	148	99.3 Å²	99.3	69%	0.685	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-66.2	-20.8	-178.4	-60.4	-53.7	0	0	0	114.4	F148 F152 T153	F148-H150 PolarHBondContact O-N 2.94Å; H150-F152 PolarHBondContact O-N 2.95Å; H150-T153 WeakPolarHBondContact CA-OG1 3.34Å; H150-T153 PolarHBondContact O-OG1 3.22Å
151	L	74.7	Confident	66.5	Low	70 Å²	70	103.4 Å²	103.4	37%	0.366	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-75.7	-14.5	177	-62.5	-178.2	0	0	0	112.6	Y144 F148 P149 N202	Y144-L151 WeakPolarHBondContact OH-CD1 3.14Å; F148-L151 HydrophobicContact CB-CD1 3.73Å; F148-L151 HydrophobicContact CB-CG 4.04Å; F148-L151 HydrophobicContact CD1-CD1 4.5Å; F148-L151 HydrophobicContact CG-CD1 4.2Å; F148-L151 PolarHBondContact O-N 2.84Å; P149-L151 PolarHBondContact O-N 2.72Å; L151-N202 WeakPolarHBondContact CD1-ND2 3.3Å
152	F	68.2	Low	63.4	Low	98 Å²	98	108.8 Å²	108.8	43%	0.43	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-10.1	176.4	-63.7	-83.8	0	0	0	113.3	Y144 M145 P149 H150 R154	Y144-F152 AromaticContact CD1-CE2 3.64Å; Y144-F152 HydrophobicContact CD1-CE2 3.64Å; Y144-F152 AromaticContact CD1-CZ 3.67Å; Y144-F152 HydrophobicContact CD1-CZ 3.67Å; Y144-F152 AromaticContact CE1-CE2 3.4Å; Y144-F152 HydrophobicContact CE1-CE2 3.4Å; Y144-F152 VanDerWaalsContact CE1-CE2 3.4Å; Y144-F152 AromaticContact CE1-CZ 3.42Å; Y144-F152 HydrophobicContact CE1-CZ 3.42Å; Y144-F152 VanDerWaalsContact CE1-CZ 3.42Å; M145-F152 HydrophobicContact CB-CE2 4.25Å; M145-F152 HydrophobicContact CG-CD2 4.13Å; M145-F152 HydrophobicContact CG-CE1 4.48Å; M145-F152 HydrophobicContact CG-CE2 3.55Å; M145-F152 HydrophobicContact CG-CZ 3.72Å; P149-F152 PolarHBondContact O-N 3.26Å; P149-F152 VanDerWaalsContact O-N 3.13Å; H150-F152 PolarHBondContact O-N 2.95Å; F152-R154 VanDerWaalsContact C-N 3.3Å; F152-R154 PolarHBondContact O-N 2.84Å
153	T	58.7	Low	60.4	Low	95 Å²	95	112.4 Å²	112.4	58%	0.583	56%	0.563	S	S	*	*			trans	-90.3	26.4	-177.4	57.3	0	0	0	0	114.4	P149 H150	P149-T153 PolarHBondContact O-N 3.23Å; H150-T153 WeakPolarHBondContact CA-OG1 3.34Å; H150-T153 PolarHBondContact O-OG1 3.22Å
154	R	47.4	Very low	57.2	Low	206 Å²	206	115.1 Å²	115.1	78%	0.777	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.6	85.6	168.2	-60.3	-178.9	179.5	176.3	0.9	105	F152	F152-R154 VanDerWaalsContact C-N 3.3Å; F152-R154 PolarHBondContact O-N 2.84Å
155	D	44.1	Very low	54.3	Low	133 Å²	133	121.6 Å²	121.6	71%	0.711	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn		-155	84.9	81.6	-67.1	-47.8	0	0	0	112.6
156	I	44.3	Very low	51.1	Low	150 Å²	150	124.4 Å²	124.4	77%	0.769	64%	0.643	S	S	*	*	S	Bend	trans	-143.7	80.7	150.3	-49.7	175	0	0	0	105.5
157	N	33.3	Very low	48.1	Very low	156 Å²	156	125.1 Å²	125.1	83%	0.834	65%	0.65	S	S	*	*			trans	167.8	50.5	153.2	-77.9	-34.2	0	0	0	108.9	P159	N157-P159 WeakPolarHBondContact O-CD 3.48Å
158	L	35.1	Very low	45	Very low	123 Å²	123	125.5 Å²	125.5	64%	0.644	66%	0.659	S	S	*	*			trans	-71.2	122.6	149	-98.6	84.9	0	0	0	106.4	H160	L158-H160 PolarHBondContact O-N 3.19Å
159	P	29.6	Very low	42.1	Very low	123 Å²	123	129.3 Å²	129.3	80%	0.799	68%	0.682	S	S	*	*			trans	-76	91.9	-180	30.7	-30.6	0	0	0	108.3	N157	N157-P159 WeakPolarHBondContact O-CD 3.48Å
160	H	31.7	Very low	39.5	Very low	167 Å²	167	135.3 Å²	135.3	77%	0.773	70%	0.702	S	S	*	*			trans	-81.9	124.2	162.1	-83.3	-60	0	0	0	109.3	L158	L158-H160 PolarHBondContact O-N 3.19Å
161	P	33	Very low	37	Very low	106 Å²	106	135 Å²	135	69%	0.688	71%	0.711	S	S	*	*			trans	-75.6	138.8	-165.9	30.6	-33.6	0	0	0	111
162	E	26.9	Very low	34.8	Very low	165 Å²	165	138 Å²	138	77%	0.771	73%	0.732	S	S	*	*			trans	43.5	98.1	141.6	-57	-172.6	173.2	0	0	117.2
163	K	28.1	Very low	32.9	Very low	198 Å²	198	137.6 Å²	137.6	86%	0.861	75%	0.747	S	S	*	*				161.9	126.7	111.5	-86.5	155.5	-172.5	174.3	0	110.6
164	G	27.7	Very low	31.6	Very low	65 Å²	65	140.8 Å²	140.8	67%	0.67	76%	0.761	S	S	*	*			trans	106.5	116	132.1	0	0	0	0	0	116.8
165	N	30.8	Very low	30.7	Very low	147 Å²	147	135.6 Å²	135.6	79%	0.786	76%	0.756	S	S	*	*			trans	92.9	90	137.7	-58.5	-10.5	0	0	0	118.9
166	I	25.6	Very low	29.8	Very low	137 Å²	137	134.5 Å²	134.5	70%	0.703	76%	0.758	S	S	*	*				59.7	107.2	107.6	-63.4	173.2	0	0	0	117.5
167	I	26.4	Very low	29.1	Very low	144 Å²	144	135.6 Å²	135.6	74%	0.738	76%	0.763	S	S	*	*			trans	52.1	115.7	131.5	-39.8	173.5	0	0	0	118.2
168	S	26.9	Very low	28.7	Very low	90 Å²	90	132.7 Å²	132.7	63%	0.629	75%	0.754	S	S	*	*				157.5	124	112.9	-73.5	0	0	0	0	114.6
169	N	26.9	Very low	28.2	Very low	135 Å²	135	131.1 Å²	131.1	72%	0.722	75%	0.753	S	S	*	*			trans	75.1	121.1	130.6	-58.4	-20.7	0	0	0	122
170	K	28.4	Very low	28.1	Very low	186 Å²	186	132.4 Å²	132.4	81%	0.809	75%	0.754	S	S	*	*			trans	61.7	105.1	138.3	-64.9	178.4	177.9	179.2	0	117.4
171	T	29.9	Very low	28.1	Very low	140 Å²	140	133.9 Å²	133.9	86%	0.859	76%	0.761	S	S	*	*				-174.4	121.5	100.8	21.2	0	0	0	0	110.2
172	T	26.9	Very low	27.7	Very low	134 Å²	134	134.6 Å²	134.6	82%	0.822	76%	0.763	S	S	*	*			trans	-56.1	141.5	160.7	32.7	0	0	0	0	111.6
173	A	28.5	Very low	27.7	Very low	90 Å²	90	134 Å²	134	74%	0.744	76%	0.764	S	S	*	*			trans	61	113.9	149.4	0	0	0	0	0	118
174	N	31.9	Very low	27.6	Very low	161 Å²	161	130.1 Å²	130.1	86%	0.861	76%	0.757	S	S	*	*			trans	-164.9	94.7	140.4	-85.4	-23	0	0	0	105.4
175	S	27.8	Very low	27.5	Very low	98 Å²	98	138.6 Å²	138.6	69%	0.685	77%	0.768	S	S	*	*				61.6	112.5	81.8	-160.8	0	0	0	0	112
176	C	25.3	Very low	27.6	Very low	110 Å²	110	140.2 Å²	140.2	74%	0.743	77%	0.772	S	S	*	*			trans	-11.3	121.4	162.7	51	0	0	0	0	116.1	C178	C176-C178 PolarHBondContact O-N 3.31Å
177	I	30.2	Very low	27.6	Very low	173 Å²	173	141.1 Å²	141.1	89%	0.887	78%	0.778	S	S	*	*			trans	-88.8	102.7	160.1	-60.5	174.8	0	0	0	106.8
178	C	24.6	Very low	27.9	Very low	95 Å²	95	140.5 Å²	140.5	64%	0.642	78%	0.784	S	S	*	*			trans	-75.3	167	163.7	53.2	0	0	0	0	111.3	C176	C176-C178 PolarHBondContact O-N 3.31Å
179	S	26.1	Very low	27.8	Very low	90 Å²	90	141.6 Å²	141.6	63%	0.629	79%	0.788	S	S	*	*			trans	94.8	108.6	146.7	-44.7	0	0	0	0	117.8
180	N	27.5	Very low	27.7	Very low	150 Å²	150	142.1 Å²	142.1	80%	0.802	79%	0.791	S	S	*	*				37.5	110.1	124.6	-54.9	-23.3	0	0	0	116.9
181	E	31.3	Very low	27.7	Very low	198 Å²	198	139.7 Å²	139.7	93%	0.925	79%	0.791	S	S	*	*			trans	-163	133.7	133.8	-107	160.8	-149.4	0	0	111.6
182	T	24.3	Very low	27.7	Very low	120 Å²	120	135.7 Å²	135.7	74%	0.736	78%	0.777	S	S	*	*			trans	-55.3	151.2	176.8	46	0	0	0	0	114
183	I	27.5	Very low	27.8	Very low	152 Å²	152	137 Å²	137	78%	0.779	78%	0.779	S	S	*	*			trans	152.1	116.9	130.3	-80.6	165.7	0	0	0	111.7
184	T	25.9	Very low	28.1	Very low	117 Å²	117	139.6 Å²	139.6	72%	0.718	78%	0.781	S	S	*	*			trans	66.2	120.2	141.2	-45.7	0	0	0	0	120.7	Q186	T184-Q186 PolarHBondContact O-N 3.34Å
185	R	25.5	Very low	28.2	Very low	243 Å²	243	139.5 Å²	139.5	92%	0.917	78%	0.775	S	S	*	*			trans	-42.4	110.8	156.3	-70.2	176.6	163.4	-174.3	-5.7	111.9
186	Q	31.8	Very low	28.3	Very low	182 Å²	182	142.2 Å²	142.2	85%	0.85	78%	0.782	S	S	*	*			trans	-155.3	134	146	-118.5	168	-11.4	0	0	110.5	T184 C188	T184-Q186 PolarHBondContact O-N 3.34Å; Q186-C188 PolarHBondContact O-N 3.46Å
187	N	25.7	Very low	28.8	Very low	156 Å²	156	146.8 Å²	146.8	83%	0.834	79%	0.785	S	S	*	*			trans	-43.9	120.1	-175.1	-60.9	-21.2	0	0	0	113.7	T189	N187-T189 PolarHBondContact O-N 3.28Å
188	C	33.6	Very low	29	Very low	130 Å²	130	145 Å²	145	88%	0.878	78%	0.777	S	S	*	*			trans	-88.5	93.8	155	50.5	0	0	0	0	108.2	Q186	Q186-C188 PolarHBondContact O-N 3.46Å
189	T	24.8	Very low	29.8	Very low	114 Å²	114	145.1 Å²	145.1	70%	0.699	77%	0.772	S	S	*	*			trans	-78.1	111.3	150.7	46.3	0	0	0	0	106.9	N187	N187-T189 PolarHBondContact O-N 3.28Å
190	D	24.6	Very low	30.9	Very low	146 Å²	146	148.1 Å²	148.1	78%	0.781	78%	0.775	S	S	*	*				168.8	128.3	122.2	-102.5	-21	0	0	0	112.3
191	V	28.8	Very low	32.1	Very low	135 Å²	135	145.7 Å²	145.7	82%	0.818	76%	0.763	S	S	*	*			trans	66	108.4	142.5	-169.8	0	0	0	0	118.3
192	G	29.3	Very low	33.2	Very low	55 Å²	55	137.6 Å²	137.6	57%	0.567	73%	0.726	S	S	*	*			trans	-179.6	74.2	160.2	0	0	0	0	0	107.6	D194	G192-D194 PolarHBondContact O-N 3.46Å
193	D	28.7	Very low	35.3	Very low	162 Å²	162	136.2 Å²	136.2	87%	0.866	71%	0.711	S	S	*	*			trans	-66.6	71.8	162.6	-69.4	-46.9	0	0	0	107.3	E195	D193-E195 PolarHBondContact O-N 3.28Å
194	D	36.1	Very low	37.6	Very low	144 Å²	144	135.3 Å²	135.3	77%	0.77	70%	0.701	S	S	*	*			trans	-83.9	96.8	170.1	-71.6	-29.3	0	0	0	106.2	G192 D196	G192-D194 PolarHBondContact O-N 3.46Å; D194-D196 PolarHBondContact O-N 2.95Å
195	E	32.2	Very low	40.1	Very low	159 Å²	159	132.2 Å²	132.2	74%	0.743	68%	0.677	S	S	*	*			trans	-40.8	110.5	173.2	-63	176	164.6	0	0	110	D193 Y197	D193-E195 PolarHBondContact O-N 3.28Å; E195-Y197 PolarHBondContact O-N 3Å
196	D	30.7	Very low	42.1	Very low	155 Å²	155	126.6 Å²	126.6	83%	0.829	66%	0.661	S	S	*	*			trans	-57.3	89.7	169.8	-74	-44.6	0	0	0	108.4	D194 D198	D194-D196 PolarHBondContact O-N 2.95Å; D196-D198 PolarHBondContact O-N 3.08Å
197	Y	36.2	Very low	43.3	Very low	206 Å²	206	119.9 Å²	119.9	81%	0.808	63%	0.63	S	S	*	*			trans	-66.7	103.4	162.1	-96.4	-94.1	0	0	0	106.8	E195 D199	E195-Y197 PolarHBondContact O-N 3Å; Y197-D199 PolarHBondContact O-N 2.89Å
198	D	33.1	Very low	44.6	Very low	135 Å²	135	117.7 Å²	117.7	72%	0.722	62%	0.618	S	S	*	*			trans	-57.6	79.8	166.2	-74.5	-47.4	0	0	0	109.9	D196 E200	D196-D198 PolarHBondContact O-N 3.08Å; D198-E200 HydrophobicContact CB-CG 4.28Å; D198-E200 PolarHBondContact O-N 3.02Å
199	D	41.7	Very low	45.5	Very low	99 Å²	99	116.5 Å²	116.5	53%	0.529	60%	0.603	S	S	.	*			trans	-72.6	84.3	154.9	-166.1	8.5	0	0	0	105.9	Y197 N201 N202	Y197-D199 PolarHBondContact O-N 2.89Å; D199-N201 PolarHBondContact O-N 3.04Å; D199-N202 PolarHBondContact O-N 2.74Å; D199-N202 VanDerWaalsContact O-N 3.1Å
200	E	49.5	Very low	46.8	Very low	152 Å²	152	114.3 Å²	114.3	71%	0.71	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.1	-8.1	-163.4	-86.5	-158.6	145.5	0	0	115.9	D198	D198-E200 HydrophobicContact CB-CG 4.28Å; D198-E200 PolarHBondContact O-N 3.02Å
201	N	53.5	Low	48.1	Very low	100 Å²	100	111 Å²	111	54%	0.535	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.7	-3.8	-177.7	-71.4	-59.7	0	0	0	116.4	D199	D199-N201 PolarHBondContact O-N 3.04Å
202	N	54	Low	49.1	Very low	28 Å²	28	105.8 Å²	105.8	15%	0.15	53%	0.533	C	S	.	.			trans	-124	84.2	-171.8	-133.6	-27.7	0	0	0	114	H134 Y144 L151 D199	H134-N202 PolarHBondContact ND1-ND2 2.94Å; Y144-N202 WeakPolarHBondContact CE2-ND2 3.46Å; Y144-N202 WeakPolarHBondContact CE2-OD1 3.3Å; Y144-N202 PolarHBondContact OH-ND2 3.03Å; Y144-N202 PolarHBondContact OH-OD1 3.44Å; L151-N202 WeakPolarHBondContact CD1-ND2 3.3Å; D199-N202 PolarHBondContact O-N 2.74Å; D199-N202 VanDerWaalsContact O-N 3.1Å
203	Q	68.6	Low	49.9	Very low	90 Å²	90	111 Å²	111	42%	0.421	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.2	-177.4	-71.8	177.8	-0.8	0	0	111.1	Y205	Q203-Y205 HydrophobicContact CB-CD2 4.4Å; Q203-Y205 HydrophobicContact CB-CE2 3.58Å; Q203-Y205 WeakPolarHBondContact O-CD2 3.46Å; Q203-Y205 VanDerWaalsContact O-CE2 3.26Å; Q203-Y205 WeakPolarHBondContact O-CE2 3.45Å; Q203-Y205 PolarHBondContact OE1-OH 2.83Å
204	K	75.8	Confident	50.5	Low	133 Å²	133	104.7 Å²	104.7	58%	0.578	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.8	127.9	173.8	-175.8	-178.3	-174	178.5	0	109.4	Y132	Y132-K204 HydrophobicContact CD1-CB 4.4Å; Y132-K204 HydrophobicContact CE1-CB 3.99Å; Y132-K204 HydrophobicContact CE1-CD 4.47Å; Y132-K204 HydrophobicContact CE1-CG 3.99Å
205	Y	77.5	Confident	50.9	Low	53 Å²	53	103.2 Å²	103.2	21%	0.208	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	157.1	179.7	-64.3	-82.5	0	0	0	111.9	I106 K107 F131 L133 Q203	I106-Y205 HydrophobicContact CG2-CD1 4.47Å; I106-Y205 HydrophobicContact CG2-CD2 4.28Å; I106-Y205 HydrophobicContact CG2-CE1 4.18Å; I106-Y205 HydrophobicContact CG2-CE2 3.94Å; K107-Y205 WeakPolarHBondContact CE-OH 3.29Å; F131-Y205 VanDerWaalsContact CE2-CB 3.49Å; F131-Y205 HydrophobicContact CE2-CD2 4.02Å; F131-Y205 HydrophobicContact CE2-CG 4.06Å; F131-Y205 HydrophobicContact CZ-CG 4.13Å; F131-Y205 PolarHBondContact O-N 3.39Å; L133-Y205 HydrophobicContact CB-CD2 4.19Å; L133-Y205 HydrophobicContact CB-CE2 3.89Å; L133-Y205 HydrophobicContact CD2-CE2 4.43Å; Q203-Y205 HydrophobicContact CB-CD2 4.4Å; Q203-Y205 HydrophobicContact CB-CE2 3.58Å; Q203-Y205 WeakPolarHBondContact O-CD2 3.46Å; Q203-Y205 VanDerWaalsContact O-CE2 3.26Å; Q203-Y205 WeakPolarHBondContact O-CE2 3.45Å; Q203-Y205 PolarHBondContact OE1-OH 2.83Å
206	Q	67.4	Low	51.9	Low	125 Å²	125	97.5 Å²	97.5	58%	0.584	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	149.5	168.1	-167.5	174.1	19.1	0	0	109.2	N208	Q206-N208 PolarHBondContact O-N 3.37Å; Q206-N208 VanDerWaalsContact O-N 3.1Å
207	M	56.8	Low	52.9	Low	40 Å²	40	94.1 Å²	94.1	20%	0.197	47%	0.471	C	S	.	.			trans	-57.8	112.5	-179	-68	-66.2	-84.5	0	0	111.9	M104 F116 F125 F131	M104-M207 HydrophobicContact CE-CE 3.27Å; M104-M207 HydrophobicContact CE-SD 3.57Å; M104-M207 VanDerWaalsContact CE-SD 3.57Å; M104-M207 HydrophobicContact SD-SD 4.47Å; F116-M207 HydrophobicContact CD1-CE 3.85Å; F116-M207 HydrophobicContact CD1-SD 3.95Å; F116-M207 HydrophobicContact CE1-CE 3.85Å; F116-M207 HydrophobicContact CE1-SD 3.3Å; F116-M207 WeakPolarHBondContact CE1-SD 3.14Å; F116-M207 HydrophobicContact CZ-SD 4.17Å; F125-M207 HydrophobicContact CB-CE 4.27Å; F125-M207 HydrophobicContact CB-SD 4.27Å; F131-M207 HydrophobicContact CD1-CG 4.49Å; F131-M207 HydrophobicContact CD1-SD 4.08Å; F131-M207 HydrophobicContact CE1-CG 4.34Å; F131-M207 HydrophobicContact CE1-SD 3.79Å
208	N	53.2	Low	54.3	Low	110 Å²	110	89.1 Å²	89.1	59%	0.588	45%	0.451	S	S	*	.			trans	-119.7	105.4	169.7	-72.7	-44.3	0	0	0	108.9	Q206 N210	Q206-N208 PolarHBondContact O-N 3.37Å; Q206-N208 VanDerWaalsContact O-N 3.1Å; N208-N210 PolarHBondContact O-N 2.83Å
209	L	53.5	Low	56.3	Low	106 Å²	106	85 Å²	85	56%	0.555	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	99.8	173	-83.2	154.7	0	0	0	109	L113	L113-L209 HydrophobicContact CD2-CD2 3.81Å
210	N	51.2	Low	58	Low	67 Å²	67	82.8 Å²	82.8	36%	0.358	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.4	174.2	-73.9	-38.9	0	0	0	109.4	N208	N208-N210 PolarHBondContact O-N 2.83Å
211	Y	51.8	Low	59.5	Low	77 Å²	77	78.8 Å²	78.8	30%	0.302	40%	0.398	S	S	.	.			trans	-61.5	148.1	161.8	-151.7	-101.1	0	0	0	108.9	R77 L81 F102 Q213	R77-Y211 PolarHBondContact NE-OH 2.91Å; L81-Y211 HydrophobicContact CD1-CE1 3.47Å; L81-Y211 VanDerWaalsContact CD1-CE1 3.47Å; L81-Y211 WeakPolarHBondContact CD1-OH 3.48Å; L81-Y211 HydrophobicContact CD2-CE1 4.37Å; F102-Y211 HydrophobicContact CD1-CD2 4.37Å; F102-Y211 AromaticContact CE1-CD2 3.99Å; F102-Y211 HydrophobicContact CE1-CD2 3.99Å; F102-Y211 AromaticContact CE1-CE2 3.99Å; F102-Y211 HydrophobicContact CE1-CE2 3.99Å; Y211-Q213 VanDerWaalsContact C-N 3.26Å; Y211-Q213 PolarHBondContact O-N 2.73Å
212	S	51	Low	60.7	Low	26 Å²	26	75 Å²	75	18%	0.182	38%	0.377	C	S	.	.			trans	-58.6	95.4	166.5	60.2	0	0	0	0	107.6	S99 C214	S99-S212 PolarHBondContact O-OG 3.12Å; S212-C214 VanDerWaalsContact C-N 3.27Å; S212-C214 PolarHBondContact O-N 3.02Å
213	Q	45.1	Very low	62.1	Low	165 Å²	165	77.4 Å²	77.4	77%	0.771	39%	0.393	S	S	*	.			trans	-64.2	92.5	-180	-74.8	177.3	-10.9	0	0	107.6	Y211	Y211-Q213 VanDerWaalsContact C-N 3.26Å; Y211-Q213 PolarHBondContact O-N 2.73Å
214	C	41.8	Very low	62.8	Low	29 Å²	29	78.9 Å²	78.9	20%	0.196	40%	0.398	C	S	.	.			trans	-77	128.6	174.8	-74.5	0	0	0	0	108.6	L81 S212	L81-C214 HydrophobicContact CD2-CB 3.91Å; L81-C214 WeakPolarHBondContact CD2-SG 3.48Å; S212-C214 VanDerWaalsContact C-N 3.27Å; S212-C214 PolarHBondContact O-N 3.02Å
215	I	44.2	Very low	63.2	Low	112 Å²	112	73.9 Å²	73.9	57%	0.574	38%	0.38	S	S	*	.			trans	-61.1	141.5	-174.5	-65.9	171.7	0	0	0	110.7	S217	I215-S217 VanDerWaalsContact C-N 3.35Å; I215-S217 PolarHBondContact O-N 3.29Å; I215-S217 VanDerWaalsContact O-N 3.16Å
216	A	52.8	Low	63.5	Low	40 Å²	40	78.2 Å²	78.2	33%	0.331	40%	0.399	S	S	.	.	S	Bend	trans	-77	17.5	-160.2	0	0	0	0	0	117.7	I219 P254	A216-I219 HydrophobicContact CB-CD1 4.33Å; A216-P254 HydrophobicContact CB-CB 3.8Å; A216-P254 HydrophobicContact CB-CG 3.92Å
217	S	52.4	Low	63.8	Low	84 Å²	84	74.2 Å²	74.2	59%	0.587	38%	0.384	S	S	*	.	S	Bend	trans	-83.3	-10.9	-171.9	53	0	0	0	0	116	I215	I215-S217 VanDerWaalsContact C-N 3.35Å; I215-S217 PolarHBondContact O-N 3.29Å; I215-S217 VanDerWaalsContact O-N 3.16Å
218	Y	65.3	Low	64	Low	100 Å²	100	80.4 Å²	80.4	39%	0.392	41%	0.405	S	S	.	.	S	Bend	trans	-129	9.5	-174.6	-64.4	-72.9	0	0	0	114.4	Y68 I69 Q220	Y68-Y218 WeakPolarHBondContact CA-O 3.16Å; I69-Y218 PolarHBondContact N-O 3.19Å; I69-Y218 WeakPolarHBondContact O-CD1 3.27Å; Y218-Q220 PolarHBondContact O-N 3.48Å
219	I	75.5	Confident	63.6	Low	50 Å²	50	81 Å²	81	26%	0.256	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	122.3	176.5	-64.7	176.1	0	0	0	107.9	I66 Y68 A216	I66-I219 HydrophobicContact CG2-CG2 3.6Å; Y68-I219 HydrophobicContact CD1-CG1 4.22Å; Y68-I219 HydrophobicContact CE1-CD1 4.45Å; Y68-I219 HydrophobicContact CE1-CG1 3.51Å; A216-I219 HydrophobicContact CB-CD1 4.33Å
220	Q	77.1	Confident	63.1	Low	52 Å²	52	82.4 Å²	82.4	24%	0.243	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	131.2	174.7	-65.8	-62.4	-35.7	0	0	109.1	I66 F67 I69 Y218	I66-Q220 WeakPolarHBondContact CA-O 3.43Å; F67-Q220 HydrophobicContact CD1-CB 3.83Å; F67-Q220 VanDerWaalsContact CD1-O 3.25Å; F67-Q220 WeakPolarHBondContact CD1-O 3.49Å; F67-Q220 HydrophobicContact CD2-CB 4.48Å; F67-Q220 HydrophobicContact CE1-CB 3.34Å; F67-Q220 HydrophobicContact CE2-CB 4.09Å; F67-Q220 HydrophobicContact CG-CB 4.37Å; F67-Q220 HydrophobicContact CZ-CB 3.48Å; F67-Q220 VanDerWaalsContact CZ-CB 3.48Å; F67-Q220 HydrophobicContact CZ-CG 4.24Å; F67-Q220 PolarHBondContact N-O 2.6Å; F67-Q220 PolarHBondContact O-N 2.76Å; I69-Q220 HydrophobicContact CB-CG 4.41Å; I69-Q220 HydrophobicContact CD1-CG 4.01Å; I69-Q220 HydrophobicContact CG1-CG 3.99Å; Y218-Q220 PolarHBondContact O-N 3.48Å
221	L	80.9	Confident	62.1	Low	68 Å²	68	84.4 Å²	84.4	36%	0.356	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	146.6	167.9	-73.8	139.5	0	0	0	108.2	I66 L252	I66-L221 HydrophobicContact CG1-CD2 4.22Å; L221-L252 HydrophobicContact CD1-CB 4.4Å; L221-L252 HydrophobicContact CD1-CD1 4.48Å
222	F	79.5	Confident	61	Low	19 Å²	19	88.5 Å²	88.5	8%	0.083	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.9	163.6	65.7	-93.2	0	0	0	110.2	L39 L40 A41 L51 L60 D64 K65 F67	L39-F222 HydrophobicContact CD1-CD2 4.42Å; L39-F222 HydrophobicContact CD2-CD2 4.02Å; L39-F222 HydrophobicContact CD2-CE2 4.36Å; L40-F222 VanDerWaalsContact O-CA 3.3Å; L40-F222 WeakPolarHBondContact O-CA 3.45Å; A41-F222 HydrophobicContact CB-CB 3.69Å; L51-F222 HydrophobicContact CD2-CB 4.34Å; L51-F222 HydrophobicContact CD2-CD1 4.33Å; L51-F222 HydrophobicContact CD2-CG 4.28Å; L60-F222 WeakPolarHBondContact O-CE1 3.26Å; L60-F222 VanDerWaalsContact O-CZ 3.23Å; L60-F222 WeakPolarHBondContact O-CZ 3.15Å; D64-F222 WeakPolarHBondContact O-CE1 3.45Å; D64-F222 WeakPolarHBondContact O-CZ 3.29Å; K65-F222 VanDerWaalsContact C-CE1 3.46Å; K65-F222 WeakPolarHBondContact O-CD1 3.34Å; K65-F222 PolarHBondContact O-N 3.31Å; F67-F222 AromaticContact CD1-CD1 3.73Å; F67-F222 HydrophobicContact CD1-CD1 3.73Å; F67-F222 HydrophobicContact CE1-CB 4.11Å; F67-F222 HydrophobicContact CE1-CD1 4.15Å
223	T	82.9	Confident	60	Low	79 Å²	79	97.7 Å²	97.7	49%	0.485	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	131.3	175	-54.8	0	0	0	0	108.5	L40	L40-T223 PolarHBondContact N-O 2.86Å; L40-T223 PolarHBondContact O-N 2.87Å
224	K	83.8	Confident	59	Low	121 Å²	121	95 Å²	95	53%	0.526	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	121	170.2	-174.4	162.8	170.3	146.6	0	108.7	L39 E48	L39-K224 HydrophobicContact CD2-CB 3.97Å; L39-K224 HydrophobicContact CD2-CG 4.18Å; E48-K224 WeakPolarHBondContact OE1-CE 3.45Å; E48-K224 IonicContact OE1-NZ 2.74Å; E48-K224 PolarHBondContact OE1-NZ 2.83Å; E48-K224 IonicContact OE2-NZ 3.68Å; E48-K224 PolarHBondContact OE2-NZ 3.47Å
225	C	84.6	Confident	59	Low	29 Å²	29	98.9 Å²	98.9	20%	0.196	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.4	-178.5	-62.4	0	0	0	0	109.8	H37 Y38	H37-C225 WeakPolarHBondContact CA-O 3.28Å; Y38-C225 HydrophobicContact CD1-CB 4.28Å; Y38-C225 HydrophobicContact CD2-CB 3.92Å; Y38-C225 HydrophobicContact CE1-CB 3.77Å; Y38-C225 HydrophobicContact CE2-CB 3.4Å; Y38-C225 VanDerWaalsContact CE2-CB 3.4Å; Y38-C225 HydrophobicContact CG-CB 4.33Å; Y38-C225 PolarHBondContact N-O 3.38Å; Y38-C225 PolarHBondContact O-N 2.99Å
226	K	83.4	Confident	58.7	Low	144 Å²	144	99 Å²	99	63%	0.626	52%	0.521	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	142	171.9	-162.4	174.2	-178.4	175.5	0	109.5	S36	S36-K226 CarbonylContact O-C 3.58Å; S36-K226 VanDerWaalsContact O-CA 3.32Å; S36-K226 WeakPolarHBondContact O-CA 3.44Å; S36-K226 WeakPolarHBondContact O-CG 3.26Å
227	T	73.5	Confident	57.7	Low	41 Å²	41	105.2 Å²	105.2	25%	0.252	55%	0.548	S	S	.	.			trans	-71.8	134.3	167.3	59.1	0	0	0	0	108.6	E35 S36 Y38 I229	E35-T227 WeakPolarHBondContact O-CG2 3.17Å; S36-T227 WeakPolarHBondContact CA-OG1 3.41Å; S36-T227 PolarHBondContact O-N 2.9Å; S36-T227 PolarHBondContact O-OG1 3.32Å; Y38-T227 HydrophobicContact CD1-CG2 3.86Å; Y38-T227 HydrophobicContact CE1-CG2 3.68Å; T227-I229 PolarHBondContact O-N 2.96Å
228	R	59.8	Low	56.6	Low	169 Å²	169	109 Å²	109	64%	0.638	56%	0.562	S	S	*	*			trans	-72.3	109.2	166.5	-73.1	-170.9	-170	174.6	11	106.6	T230 N243 D245	R228-T230 PolarHBondContact O-N 3.34Å; R228-N243 VanDerWaalsContact NH1-CG 3.29Å; R228-N243 PolarHBondContact NH1-ND2 2.82Å; R228-N243 VanDerWaalsContact NH1-ND2 3.16Å; R228-N243 PolarHBondContact NH1-OD1 3.28Å; R228-D245 IonicContact CZ-OD2 3.95Å; R228-D245 IonicContact NH2-OD2 2.9Å; R228-D245 PolarHBondContact NH2-OD2 3.43Å
229	I	45.9	Very low	54.9	Low	123 Å²	123	113.5 Å²	113.5	63%	0.631	58%	0.584	S	S	*	*			trans	-74.6	102.4	166.7	-56.4	172.8	0	0	0	105.4	T227 T231	T227-I229 PolarHBondContact O-N 2.96Å; I229-T231 HydrophobicContact CG2-CG2 4.32Å; I229-T231 PolarHBondContact O-N 3.24Å; I229-T231 VanDerWaalsContact O-N 3.1Å
230	T	41.9	Very low	52.5	Low	135 Å²	135	118.5 Å²	118.5	83%	0.828	61%	0.61	S	S	*	*			trans	-70.8	101	162.7	49	0	0	0	0	106.9	R228 E232	R228-T230 PolarHBondContact O-N 3.34Å; T230-E232 PolarHBondContact O-N 3.28Å
231	T	31.5	Very low	50.2	Low	109 Å²	109	123.2 Å²	123.2	67%	0.669	64%	0.636	S	S	*	*			trans	-64.9	110.6	170.3	46	0	0	0	0	109.2	I229	I229-T231 HydrophobicContact CG2-CG2 4.32Å; I229-T231 PolarHBondContact O-N 3.24Å; I229-T231 VanDerWaalsContact O-N 3.1Å
232	E	28.5	Very low	47.5	Very low	164 Å²	164	128.3 Å²	128.3	77%	0.766	66%	0.655	S	S	*	*			trans	67.9	134.2	153.6	-45.7	179.8	-164.2	0	0	115.6	T230	T230-E232 PolarHBondContact O-N 3.28Å
233	R	28.7	Very low	45.2	Very low	219 Å²	219	132.5 Å²	132.5	83%	0.826	68%	0.678	S	S	*	*			cis	-152.7	153	36.9	-75.4	175.7	170.5	-173.2	-5.8	111.1
234	S	26	Very low	42.7	Very low	108 Å²	108	134.6 Å²	134.6	76%	0.755	69%	0.691	S	S	*	*			trans	-37.3	162.3	152.3	55.9	0	0	0	0	114.1
235	P	41.6	Very low	40.2	Very low	110 Å²	110	134.1 Å²	134.1	71%	0.714	69%	0.694	S	S	*	*	S	Bend		-97.9	165.2	-80.2	24.6	-5.7	0	0	0	111.7
236	C	36.9	Very low	37.6	Very low	116 Å²	116	140.2 Å²	140.2	78%	0.784	73%	0.725	S	S	*	*			trans	61.8	69.7	159.6	-51.8	0	0	0	0	117
237	D	31	Very low	35.1	Very low	169 Å²	169	144.4 Å²	144.4	90%	0.904	74%	0.737	S	S	*	*			trans	-141.9	105.3	150.1	-94.8	-39.4	0	0	0	111.1	K239	D237-K239 PolarHBondContact O-N 3.41Å
238	N	29.3	Very low	33.1	Very low	163 Å²	163	149.3 Å²	149.3	87%	0.872	76%	0.76	S	S	*	*			trans	-68	103.6	176	-72.6	-34.5	0	0	0	110.2
239	K	30	Very low	32	Very low	196 Å²	196	146.1 Å²	146.1	85%	0.852	76%	0.763	S	S	*	*			trans	-139.4	116.8	149.8	-70.3	-166.7	179.7	173.8	0	111.4	D237 I241	D237-K239 PolarHBondContact O-N 3.41Å; K239-I241 PolarHBondContact O-N 2.75Å
240	L	26.5	Very low	31.3	Very low	155 Å²	155	144 Å²	144	81%	0.812	76%	0.76	S	S	*	*			trans	-45.8	122.5	172.5	-91.6	75.7	0	0	0	111.2
241	I	27.4	Very low	30.9	Very low	151 Å²	151	145.3 Å²	145.3	77%	0.774	76%	0.76	S	S	*	*			trans	-119.5	106.2	153	-56.8	179.3	0	0	0	106.8	K239 N243	K239-I241 PolarHBondContact O-N 2.75Å; I241-N243 PolarHBondContact O-N 2.92Å
242	K	25.6	Very low	30.9	Very low	175 Å²	175	146.4 Å²	146.4	76%	0.761	76%	0.762	S	S	*	*			trans	-67.5	107.8	173.3	-63	176.2	-179.9	179.1	0	107.7	T244	K242-T244 PolarHBondContact O-N 3.18Å
243	N	29.4	Very low	31	Very low	106 Å²	106	143.6 Å²	143.6	57%	0.567	75%	0.752	S	S	*	*			trans	-88.4	103.5	163.2	-91	-50.6	0	0	0	108.6	R228 I241 D245	R228-N243 VanDerWaalsContact NH1-CG 3.29Å; R228-N243 PolarHBondContact NH1-ND2 2.82Å; R228-N243 VanDerWaalsContact NH1-ND2 3.16Å; R228-N243 PolarHBondContact NH1-OD1 3.28Å; I241-N243 PolarHBondContact O-N 2.92Å; N243-D245 VanDerWaalsContact C-N 3.33Å; N243-D245 PolarHBondContact O-N 3.2Å
244	T	31.1	Very low	31.5	Very low	123 Å²	123	136.1 Å²	136.1	76%	0.755	73%	0.731	S	S	*	*			trans	-80.7	77.7	168.4	47.3	0	0	0	0	109.3	K242	K242-T244 PolarHBondContact O-N 3.18Å
245	D	31.5	Very low	31.8	Very low	111 Å²	111	139.9 Å²	139.9	59%	0.594	73%	0.734	S	S	*	*			trans	-116	46.3	164.9	-73	-34	0	0	0	110	R228 N243 R247	R228-D245 IonicContact CZ-OD2 3.95Å; R228-D245 IonicContact NH2-OD2 2.9Å; R228-D245 PolarHBondContact NH2-OD2 3.43Å; N243-D245 VanDerWaalsContact C-N 3.33Å; N243-D245 PolarHBondContact O-N 3.2Å; D245-R247 PolarHBondContact O-N 3.25Å
246	N	30.4	Very low	31.3	Very low	158 Å²	158	141 Å²	141	85%	0.845	74%	0.735	S	S	*	*			trans	-83	65	156.8	-98	0.1	0	0	0	108.5	L248	N246-L248 PolarHBondContact O-N 3.2Å
247	R	29.9	Very low	31.2	Very low	232 Å²	232	139.9 Å²	139.9	88%	0.875	72%	0.72	S	S	*	*			trans	-87.8	99.9	155.8	-76	-168.2	-174.5	-164.4	2.1	106.2	D245 C249	D245-R247 PolarHBondContact O-N 3.25Å; R247-C249 PolarHBondContact O-N 2.9Å
248	L	31.9	Very low	31	Very low	143 Å²	143	138.9 Å²	138.9	75%	0.749	72%	0.715	S	S	*	*			trans	-31.7	128	162.9	-81.7	79.5	0	0	0	108.6	N246 S250	N246-L248 PolarHBondContact O-N 3.2Å; L248-S250 PolarHBondContact O-N 3.1Å; L248-S250 PolarHBondContact O-OG 3.16Å
249	C	36.4	Very low	31	Very low	102 Å²	102	138.7 Å²	138.7	69%	0.689	71%	0.706	S	S	*	*			trans	-68	78.9	155.7	-163.4	0	0	0	0	105.3	R247 L251	R247-C249 PolarHBondContact O-N 2.9Å; C249-L251 PolarHBondContact O-N 3.22Å
250	S	32.6	Very low	30.8	Very low	80 Å²	80	137.6 Å²	137.6	56%	0.559	70%	0.704	S	S	*	*			trans	-51.9	124.6	166.6	-46.8	0	0	0	0	105.5	L248 L252	L248-S250 PolarHBondContact O-N 3.1Å; L248-S250 PolarHBondContact O-OG 3.16Å; S250-L252 VanDerWaalsContact C-N 3.28Å; S250-L252 PolarHBondContact O-N 2.95Å
251	L	32.6	Very low	30.8	Very low	161 Å²	161	136.9 Å²	136.9	84%	0.843	70%	0.701	S	S	*	*			trans	-38.9	95.1	165.9	-60.1	163.6	0	0	0	108.4	C249 N253	C249-L251 PolarHBondContact O-N 3.22Å; L251-N253 PolarHBondContact O-N 3.21Å
252	L	31.7	Very low	30.7	Very low	133 Å²	133	134.7 Å²	134.7	70%	0.696	70%	0.699	S	S	*	*			trans	-66.9	107.3	167.9	-78.4	168.7	0	0	0	103.9	L221 S250 P254	L221-L252 HydrophobicContact CD1-CB 4.4Å; L221-L252 HydrophobicContact CD1-CD1 4.48Å; S250-L252 VanDerWaalsContact C-N 3.28Å; S250-L252 PolarHBondContact O-N 2.95Å; L252-P254 WeakPolarHBondContact O-CD 3.25Å
253	N	30.3	Very low	30.9	Very low	105 Å²	105	132 Å²	132	56%	0.561	70%	0.697	S	S	*	*			trans	-53.2	125.5	180	-81	-35.9	0	0	0	108.3	L251 F255 D256	L251-N253 PolarHBondContact O-N 3.21Å; N253-F255 PolarHBondContact O-N 3.22Å; N253-D256 PolarHBondContact O-N 3.49Å
254	P	39.1	Very low	30.7	Very low	61 Å²	61	133.3 Å²	133.3	40%	0.396	71%	0.709	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.3	-4.2	-178.2	-28.2	36.4	0	0	0	115.7	A216 L252	A216-P254 HydrophobicContact CB-CB 3.8Å; A216-P254 HydrophobicContact CB-CG 3.92Å; L252-P254 WeakPolarHBondContact O-CD 3.25Å
255	F	31.9	Very low	30.5	Very low	187 Å²	187	134.6 Å²	134.6	82%	0.82	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-16.8	-179.6	-70.8	-75.9	0	0	0	114.6	N253	N253-F255 PolarHBondContact O-N 3.22Å
256	D	31.6	Very low	30.3	Very low	135 Å²	135	134.2 Å²	134.2	72%	0.722	72%	0.716	S	S	*	*	S	Bend	trans	-93.4	8.4	-177.5	-69.9	-38.1	0	0	0	114.2	N253 N258	N253-D256 PolarHBondContact O-N 3.49Å; D256-N258 PolarHBondContact O-N 3.18Å; D256-N258 VanDerWaalsContact O-N 3.15Å
257	I	34.9	Very low	30.2	Very low	92 Å²	92	134 Å²	134	47%	0.472	72%	0.715	S	S	.	*			trans	-89.7	79.6	177	-51.2	176.7	0	0	0	109.4	F259	I257-F259 HydrophobicContact CG2-CD2 4.13Å; I257-F259 PolarHBondContact O-N 2.94Å
258	N	26.2	Very low	30.1	Very low	148 Å²	148	130.4 Å²	130.4	79%	0.791	71%	0.713	S	S	*	*			trans	-68	112.4	157.8	-81	-47.1	0	0	0	108.1	D256 H260	D256-N258 PolarHBondContact O-N 3.18Å; D256-N258 VanDerWaalsContact O-N 3.15Å; N258-H260 PolarHBondContact O-N 3.07Å
259	F	30.2	Very low	30	Very low	159 Å²	159	134.8 Å²	134.8	70%	0.697	72%	0.72	S	S	*	*			trans	-71.7	76.6	178.6	-124.7	-92.4	0	0	0	110	I257	I257-F259 HydrophobicContact CG2-CD2 4.13Å; I257-F259 PolarHBondContact O-N 2.94Å
260	H	25	Very low	29.7	Very low	172 Å²	172	135.7 Å²	135.7	80%	0.796	73%	0.727	S	S	*	*			trans	-121.5	93.9	156.9	-93.5	-72.3	0	0	0	106.8	N258	N258-H260 PolarHBondContact O-N 3.07Å
261	D	26.5	Very low	29.7	Very low	141 Å²	141	136.8 Å²	136.8	75%	0.754	74%	0.735	S	S	*	*			trans	-141.2	93.8	153.2	-132.3	-8.1	0	0	0	110.1	T263	D261-T263 PolarHBondContact O-N 3.35Å
262	S	26.7	Very low	29.5	Very low	104 Å²	104	132.5 Å²	132.5	73%	0.727	73%	0.729	S	S	*	*			trans	-60.2	99.5	155.4	-50.7	0	0	0	0	108
263	T	28.9	Very low	29.6	Very low	120 Å²	120	137 Å²	137	74%	0.736	74%	0.739	S	S	*	*			trans	-111.9	102.6	155.5	40.3	0	0	0	0	108.5	D261 I265	D261-T263 PolarHBondContact O-N 3.35Å; T263-I265 PolarHBondContact O-N 2.87Å
264	T	25.2	Very low	29.4	Very low	133 Å²	133	135.5 Å²	135.5	82%	0.816	75%	0.747	S	S	*	*			trans	-54.5	112.2	166	48	0	0	0	0	110.5
265	I	27.9	Very low	28.8	Very low	150 Å²	150	137.8 Å²	137.8	77%	0.769	77%	0.765	S	S	*	*			trans	-138	114.3	143.3	-59.3	-174.5	0	0	0	106.7	T263	T263-I265 PolarHBondContact O-N 2.87Å
266	S	25.6	Very low	28.9	Very low	103 Å²	103	134.6 Å²	134.6	72%	0.72	76%	0.763	S	S	*	*			trans	-51.7	126.4	164.3	43.5	0	0	0	0	111.6
267	D	28.9	Very low	28.7	Very low	153 Å²	153	133.8 Å²	133.8	82%	0.818	77%	0.768	S	S	*	*			trans	-136.2	103.5	151.7	-90.5	-33.4	0	0	0	109.1	R269	D267-R269 PolarHBondContact O-N 3.33Å; D267-R269 VanDerWaalsContact O-N 3.12Å
268	D	27.7	Very low	28.6	Very low	157 Å²	157	134.7 Å²	134.7	84%	0.84	78%	0.782	S	S	*	*			trans	-51.9	107.3	160.7	-73.5	-50.8	0	0	0	109.9
269	R	30.5	Very low	29	Very low	235 Å²	235	133.6 Å²	133.6	89%	0.887	78%	0.783	S	S	*	*			trans	-130.2	89.7	153.3	-79.8	-164.1	164.7	175.7	-2.9	110.2	D267 S271	D267-R269 PolarHBondContact O-N 3.33Å; D267-R269 VanDerWaalsContact O-N 3.12Å; R269-S271 PolarHBondContact O-N 3.25Å
270	S	29.9	Very low	29	Very low	121 Å²	121	129.6 Å²	129.6	85%	0.846	79%	0.787	S	S	*	*			trans	-39.7	120.2	149.4	-75.2	0	0	0	0	110.6
271	S	32.5	Very low	29	Very low	103 Å²	103	128.9 Å²	128.9	72%	0.72	79%	0.789	S	S	*	*			trans	-144.1	94.8	155.1	-76	0	0	0	0	106.6	R269	R269-S271 PolarHBondContact O-N 3.25Å
272	G	27.3	Very low	29.1	Very low	71 Å²	71	126.9 Å²	126.9	73%	0.732	79%	0.786	S	S	*	*			trans	-64.3	130.7	174.5	0	0	0	0	0	111.3
273	Y	34.8	Very low	29.3	Very low	228 Å²	228	131 Å²	131	89%	0.894	79%	0.792	S	S	*	*			trans	-125.4	99.4	143.7	-67.9	-86	0	0	0	102.5
274	G	25.7	Very low	29.4	Very low	72 Å²	72	132.4 Å²	132.4	74%	0.742	79%	0.79	S	S	*	*				92	79.2	66	0	0	0	0	0	107
275	S	27.6	Very low	29.4	Very low	109 Å²	109	134.4 Å²	134.4	76%	0.762	79%	0.79	S	S	*	*			trans	-59.2	130.8	174.5	-50.5	0	0	0	0	110.2	S277	S275-S277 PolarHBondContact O-N 3.21Å; S275-S277 VanDerWaalsContact O-N 3.09Å
276	P	34.1	Very low	29.9	Very low	120 Å²	120	137 Å²	137	78%	0.779	80%	0.795	S	S	*	*			trans	-73.5	101.9	165.7	23.6	-21.9	0	0	0	108.8	S278	P276-S278 PolarHBondContact O-N 3.38Å
277	S	26.3	Very low	30.7	Very low	119 Å²	119	143.8 Å²	143.8	83%	0.832	82%	0.821	S	S	*	*			trans	-64.9	108.9	158.4	-38.2	0	0	0	0	107.3	S275	S275-S277 PolarHBondContact O-N 3.21Å; S275-S277 VanDerWaalsContact O-N 3.09Å
278	S	33.8	Very low	30.8	Very low	110 Å²	110	143.3 Å²	143.3	77%	0.769	82%	0.821	S	S	*	*			trans	-103.1	144.9	163.8	-70.7	0	0	0	0	109.8	P276	P276-S278 PolarHBondContact O-N 3.38Å
279	P	33.5	Very low	31	Very low	125 Å²	125	142.6 Å²	142.6	81%	0.812	82%	0.82	S	S	*	*			trans	-103.6	154.7	-149.2	15.7	4.6	0	0	0	112.9
280	G	30.5	Very low	31	Very low	76 Å²	76	137.4 Å²	137.4	78%	0.784	82%	0.816	S	S	*	*				78.4	101.7	129.1	0	0	0	0	0	117.1
281	N	26	Very low	31.1	Very low	156 Å²	156	138.4 Å²	138.4	83%	0.834	81%	0.814	S	S	*	*			trans	-45.8	156.2	159.1	-85.1	-12.9	0	0	0	114.8
282	S	27.5	Very low	31	Very low	99 Å²	99	140.6 Å²	140.6	69%	0.692	82%	0.82	S	S	*	*			trans	76	123.1	141.5	62.7	0	0	0	0	119.3
283	F	32.1	Very low	31.2	Very low	191 Å²	191	145.3 Å²	145.3	84%	0.838	83%	0.826	S	S	*	*				153	143.5	125.8	-100.1	-98.9	0	0	0	107.1
284	H	30	Very low	31	Very low	150 Å²	150	139.4 Å²	139.4	69%	0.694	82%	0.821	S	S	*	*			cis	-174.3	150.9	-22.2	-166.4	-86.4	0	0	0	103
285	E	26.4	Very low	31.4	Very low	175 Å²	175	144.5 Å²	144.5	82%	0.818	83%	0.827	S	S	*	*			trans	-50.8	140.3	-179.6	-70.1	161.9	129.5	0	0	113.4
286	K	38	Very low	31.7	Very low	205 Å²	205	147.5 Å²	147.5	89%	0.891	83%	0.833	S	S	*	*			trans	-97.3	124.3	159.5	-84.3	-177.9	175.7	-179.8	0	108.5
287	I	41.9	Very low	31.4	Very low	244 Å²	244	150 Å²	150	100%	1.251	84%	0.838	S	S	*	*			trans	-65.2	0	153.2	-61.4	168.8	0	0	0	108.1

Retrieved 287 of 287 residues in 44 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).