A0A5K4F8B8_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F8B8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 164 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	32.1	Very low	220 Å²	220	145 Å²	145	100%	1.084	74%	0.735	S	S	*	*				0	110.4	0	-80	172.7	-174.9	0	0	107.4	F3	M1-F3 HydrophobicContact CB-CE2 4.4Å; M1-F3 PolarHBondContact O-N 3.14Å
2	T	26.5	Very low	31.9	Very low	135 Å²	135	143 Å²	143	83%	0.828	73%	0.727	S	S	*	*			trans	-79.5	109.3	175.1	20.3	0	0	0	0	108.2	N4	T2-N4 PolarHBondContact O-N 3.19Å
3	F	28.5	Very low	32.3	Very low	184 Å²	184	139.8 Å²	139.8	81%	0.807	73%	0.725	S	S	*	*			trans	-76	106.7	171.9	-67.8	-89.8	0	0	0	107.6	M1 T5	M1-F3 HydrophobicContact CB-CE2 4.4Å; M1-F3 PolarHBondContact O-N 3.14Å; F3-T5 PolarHBondContact O-N 3.46Å
4	N	31.2	Very low	33	Very low	149 Å²	149	140.7 Å²	140.7	80%	0.797	73%	0.732	S	S	*	*			trans	-72.1	123.2	172.3	-77.1	-20.3	0	0	0	108.7	T2	T2-N4 PolarHBondContact O-N 3.19Å
5	T	31.5	Very low	33.4	Very low	97 Å²	97	135.5 Å²	135.5	60%	0.595	71%	0.709	S	S	*	*			trans	-48.8	129.1	-175.8	-44.1	0	0	0	0	113.1	F3 Y7	F3-T5 PolarHBondContact O-N 3.46Å; T5-Y7 HydrophobicContact CG2-CD2 3.85Å; T5-Y7 HydrophobicContact CG2-CE1 4.08Å; T5-Y7 HydrophobicContact CG2-CE2 3.34Å; T5-Y7 HydrophobicContact CG2-CG 4.41Å; T5-Y7 VanDerWaalsContact CG2-CZ 3.47Å
6	V	34.5	Very low	34.2	Very low	91 Å²	91	129.7 Å²	129.7	55%	0.552	68%	0.683	S	S	*	*			trans	-93.9	115.9	169.1	179.5	0	0	0	0	107.5
7	Y	35.4	Very low	34.9	Very low	160 Å²	160	124.2 Å²	124.2	63%	0.627	66%	0.656	S	S	*	*			trans	-97.4	121.8	175.4	-72.5	-84.5	0	0	0	109.6	T5 I19	T5-Y7 HydrophobicContact CG2-CD2 3.85Å; T5-Y7 HydrophobicContact CG2-CE1 4.08Å; T5-Y7 HydrophobicContact CG2-CE2 3.34Å; T5-Y7 HydrophobicContact CG2-CG 4.41Å; T5-Y7 VanDerWaalsContact CG2-CZ 3.47Å; Y7-I19 WeakPolarHBondContact O-CD1 3.32Å
8	Y	33.6	Very low	35.7	Very low	193 Å²	193	118.1 Å²	118.1	76%	0.757	62%	0.624	S	S	*	*			trans	-74.3	153.3	178.2	-63.1	-91.9	0	0	0	111.4	I10	Y8-I10 PolarHBondContact O-N 3.38Å; Y8-I10 VanDerWaalsContact O-N 3.09Å
9	S	34.6	Very low	36.5	Very low	80 Å²	80	114.9 Å²	114.9	56%	0.559	61%	0.607	S	S	*	*			trans	-65.5	105.6	171	57	0	0	0	0	110.1	L11	S9-L11 PolarHBondContact O-N 3.22Å
10	I	32.2	Very low	37.2	Very low	125 Å²	125	111.3 Å²	111.3	64%	0.641	59%	0.588	S	S	*	*			trans	-79	111.9	166.5	-55	174.2	0	0	0	106.4	Y8 L12	Y8-I10 PolarHBondContact O-N 3.38Å; Y8-I10 VanDerWaalsContact O-N 3.09Å; I10-L12 HydrophobicContact CG2-CD1 4.16Å; I10-L12 HydrophobicContact CG2-CG 3.9Å; I10-L12 PolarHBondContact O-N 3.24Å
11	L	31.6	Very low	37.8	Very low	161 Å²	161	111.9 Å²	111.9	84%	0.843	59%	0.591	S	S	*	*			trans	-63.7	78.9	167.1	-92.4	149.3	0	0	0	109.2	S9	S9-L11 PolarHBondContact O-N 3.22Å
12	L	30.4	Very low	38.6	Very low	121 Å²	121	104.9 Å²	104.9	63%	0.634	58%	0.575	S	S	*	*			trans	-87.7	108.1	161.8	-77.9	160.5	0	0	0	106.5	I10 N14 T15	I10-L12 HydrophobicContact CG2-CD1 4.16Å; I10-L12 HydrophobicContact CG2-CG 3.9Å; I10-L12 PolarHBondContact O-N 3.24Å; L12-N14 PolarHBondContact O-N 2.75Å; L12-T15 PolarHBondContact O-N 2.99Å
13	S	36.6	Very low	39.4	Very low	101 Å²	101	101.8 Å²	101.8	71%	0.706	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	11.6	105.9	169	61.1	0	0	0	0	115.6	T15	S13-T15 VanDerWaalsContact C-N 3.35Å; S13-T15 PolarHBondContact O-N 2.93Å
14	N	42	Very low	40.7	Very low	153 Å²	153	98 Å²	98	82%	0.818	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	6.5	171.4	-60.1	-21.3	0	0	0	118.5	L12	L12-N14 PolarHBondContact O-N 2.75Å
15	T	38.7	Very low	42	Very low	63 Å²	63	97.2 Å²	97.2	39%	0.387	54%	0.536	S	S	.	.			trans	-116.8	121.1	178.8	-29.9	0	0	0	0	111.5	L12 S13 L26	L12-T15 PolarHBondContact O-N 2.99Å; S13-T15 VanDerWaalsContact C-N 3.35Å; S13-T15 PolarHBondContact O-N 2.93Å; T15-L26 HydrophobicContact CG2-CD2 3.76Å
16	S	46.6	Very low	43.7	Very low	42 Å²	42	97.3 Å²	97.3	29%	0.294	53%	0.532	S	S	.	.			trans	-96.5	127.1	179.2	-60.1	0	0	0	0	109.9	C27 L33	S16-C27 PolarHBondContact O-N 3.26Å; S16-C27 VanDerWaalsContact O-N 3.13Å; S16-L33 VanDerWaalsContact CB-CD1 3.45Å
17	V	46.6	Very low	45.7	Very low	36 Å²	36	93.4 Å²	93.4	22%	0.218	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.1	-167	-164.3	0	0	0	0	111	I24 L26	V17-I24 HydrophobicContact CG1-CB 4.48Å; V17-I24 HydrophobicContact CG1-CG2 3.31Å; V17-L26 HydrophobicContact CB-CD2 4.07Å; V17-L26 HydrophobicContact CG1-CD2 3.84Å; V17-L26 HydrophobicContact CG2-CD2 3.53Å
18	V	49.4	Very low	47.9	Very low	15 Å²	15	92.9 Å²	92.9	9%	0.091	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	144.9	171.5	178.3	0	0	0	0	108.9	I20 I24 K25 L33 P53 P57	V18-I20 HydrophobicContact CG1-CD1 4.23Å; V18-I20 HydrophobicContact CG1-CG1 3.89Å; V18-I24 CarbonylContact O-C 3.55Å; V18-K25 PolarHBondContact N-O 2.88Å; V18-K25 CarbonylContact O-C 3.55Å; V18-K25 WeakPolarHBondContact O-CA 3.39Å; V18-K25 PolarHBondContact O-N 3.09Å; V18-K25 VanDerWaalsContact O-O 3.11Å; V18-L33 HydrophobicContact CG2-CD1 3.84Å; V18-L33 HydrophobicContact CG2-CD2 3.13Å; V18-L33 HydrophobicContact CG2-CG 4.16Å; V18-P53 HydrophobicContact CG1-CG 4.16Å; V18-P57 HydrophobicContact CB-CG 3.93Å; V18-P57 HydrophobicContact CG1-CG 3.27Å; V18-P57 HydrophobicContact CG2-CB 3.83Å; V18-P57 HydrophobicContact CG2-CG 3.3Å
19	I	50.3	Low	50	Low	57 Å²	57	88.1 Å²	88.1	29%	0.292	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.8	169.6	-58.9	176.7	0	0	0	109.5	Y7 S23 I24	Y7-I19 WeakPolarHBondContact O-CD1 3.32Å; I19-S23 WeakPolarHBondContact CA-O 3.38Å; I19-I24 HydrophobicContact CD1-CG1 4.02Å; I19-I24 HydrophobicContact CG1-CG1 3.78Å
20	I	51.2	Low	52.1	Low	43 Å²	43	87 Å²	87	22%	0.221	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	122.9	174.1	-58.6	162.4	0	0	0	107	V18 G22 S23 K25 F56	V18-I20 HydrophobicContact CG1-CD1 4.23Å; V18-I20 HydrophobicContact CG1-CG1 3.89Å; I20-G22 VanDerWaalsContact C-N 3.28Å; I20-G22 PolarHBondContact O-N 3.45Å; I20-S23 PolarHBondContact N-O 3.14Å; I20-S23 WeakPolarHBondContact O-CB 3.27Å; I20-S23 PolarHBondContact O-N 2.97Å; I20-K25 HydrophobicContact CD1-CB 4.43Å; I20-K25 HydrophobicContact CD1-CG 4.2Å; I20-F56 HydrophobicContact CB-CZ 4.19Å; I20-F56 HydrophobicContact CD1-CE1 3.43Å; I20-F56 VanDerWaalsContact CD1-CE1 3.43Å; I20-F56 HydrophobicContact CD1-CE2 4.2Å; I20-F56 HydrophobicContact CD1-CZ 3.22Å; I20-F56 HydrophobicContact CG1-CE1 4.1Å; I20-F56 HydrophobicContact CG1-CE2 3.94Å; I20-F56 HydrophobicContact CG1-CZ 3.42Å; I20-F56 VanDerWaalsContact CG1-CZ 3.42Å; I20-F56 HydrophobicContact CG2-CE2 4.08Å; I20-F56 HydrophobicContact CG2-CZ 3.66Å
21	D	48.6	Very low	54.5	Low	124 Å²	124	81.9 Å²	81.9	66%	0.663	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	40.4	179.3	-60.8	-28.8	0	0	0	114.5	S23	D21-S23 PolarHBondContact O-N 2.82Å
22	G	50.4	Low	56.7	Low	72 Å²	72	75 Å²	75	74%	0.742	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	2.9	-179.1	0	0	0	0	0	114.7	I20	I20-G22 VanDerWaalsContact C-N 3.28Å; I20-G22 PolarHBondContact O-N 3.45Å
23	S	43.7	Very low	58.9	Low	71 Å²	71	70.5 Å²	70.5	50%	0.497	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.8	174.4	-59.1	0	0	0	0	110.8	I19 I20 D21 K25	I19-S23 WeakPolarHBondContact CA-O 3.38Å; I20-S23 PolarHBondContact N-O 3.14Å; I20-S23 WeakPolarHBondContact O-CB 3.27Å; I20-S23 PolarHBondContact O-N 2.97Å; D21-S23 PolarHBondContact O-N 2.82Å; S23-K25 PolarHBondContact O-N 3.28Å
24	I	54.9	Low	60.7	Low	105 Å²	105	68 Å²	68	54%	0.538	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	108.9	169.3	-69.4	162.3	0	0	0	108.8	V17 V18 I19 L26	V17-I24 HydrophobicContact CG1-CB 4.48Å; V17-I24 HydrophobicContact CG1-CG2 3.31Å; V18-I24 CarbonylContact O-C 3.55Å; I19-I24 HydrophobicContact CD1-CG1 4.02Å; I19-I24 HydrophobicContact CG1-CG1 3.78Å; I24-L26 HydrophobicContact CG2-CD2 4.29Å; I24-L26 HydrophobicContact CG2-CG 4.01Å
25	K	58.9	Low	61.7	Low	132 Å²	132	61.5 Å²	61.5	57%	0.574	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	104.2	169.6	-79.5	-95.3	-179.4	175.8	0	108.6	V18 I20 S23	V18-K25 PolarHBondContact N-O 2.88Å; V18-K25 CarbonylContact O-C 3.55Å; V18-K25 WeakPolarHBondContact O-CA 3.39Å; V18-K25 PolarHBondContact O-N 3.09Å; V18-K25 VanDerWaalsContact O-O 3.11Å; I20-K25 HydrophobicContact CD1-CB 4.43Å; I20-K25 HydrophobicContact CD1-CG 4.2Å; S23-K25 PolarHBondContact O-N 3.28Å
26	L	68.2	Low	62.7	Low	99 Å²	99	65.4 Å²	65.4	52%	0.518	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	135.8	171.1	-66.8	161.5	0	0	0	108.8	T15 V17 I24	T15-L26 HydrophobicContact CG2-CD2 3.76Å; V17-L26 HydrophobicContact CB-CD2 4.07Å; V17-L26 HydrophobicContact CG1-CD2 3.84Å; V17-L26 HydrophobicContact CG2-CD2 3.53Å; I24-L26 HydrophobicContact CG2-CD2 4.29Å; I24-L26 HydrophobicContact CG2-CG 4.01Å
27	C	76.6	Confident	63.2	Low	9 Å²	9	68.4 Å²	68.4	6%	0.061	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-64.3	135.8	164.1	-79.9	0	0	0	0	109.3	S16 T31 L33 C59	S16-C27 PolarHBondContact O-N 3.26Å; S16-C27 VanDerWaalsContact O-N 3.13Å; C27-T31 WeakPolarHBondContact CB-OG1 3.44Å; C27-L33 WeakPolarHBondContact SG-CD2 3.19Å; C27-C59 WeakPolarHBondContact CA-SG 3.21Å; C27-C59 HydrophobicContact CB-CB 3.93Å; C27-C59 WeakPolarHBondContact CB-SG 3.41Å; C27-C59 WeakPolarHBondContact SG-CB 3.2Å; C27-C59 CovalentContact SG-SG 2.04Å; C27-C59 PolarHBondContact SG-SG 3.27Å
28	E	80.1	Confident	63.9	Low	148 Å²	148	73.2 Å²	73.2	69%	0.692	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-60.6	162.4	175.9	-67.7	-179.1	170.6	0	0	110.8	T31	E28-T31 HydrophobicContact CB-CG2 4.43Å; E28-T31 PolarHBondContact N-OG1 3.25Å; E28-T31 PolarHBondContact O-N 3.26Å; E28-T31 PolarHBondContact O-OG1 2.99Å
29	A	78.5	Confident	64.6	Low	93 Å²	93	78.3 Å²	78.3	77%	0.769	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	147.1	170.5	0	0	0	0	0	110.8	T31	A29-T31 VanDerWaalsContact C-N 3.26Å; A29-T31 PolarHBondContact O-N 3.36Å
30	D	79.4	Confident	65.6	Low	56 Å²	56	79.3 Å²	79.3	30%	0.299	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	29.4	-176.3	-63.1	-33.5	0	0	0	115	K61 H62 Y64 R118	D30-K61 WeakPolarHBondContact O-CA 3.03Å; D30-H62 PolarHBondContact O-N 3.49Å; D30-Y64 PolarHBondContact OD2-OH 3.02Å; D30-R118 IonicContact OD1-CZ 3.98Å; D30-R118 IonicContact OD1-NH1 2.97Å; D30-R118 PolarHBondContact OD1-NH1 3.46Å
31	T	82.1	Confident	66.5	Low	18 Å²	18	81.3 Å²	81.3	11%	0.11	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	156.9	169.2	67.4	0	0	0	0	112.3	C27 E28 A29 Y60 K61	C27-T31 WeakPolarHBondContact CB-OG1 3.44Å; E28-T31 HydrophobicContact CB-CG2 4.43Å; E28-T31 PolarHBondContact N-OG1 3.25Å; E28-T31 PolarHBondContact O-N 3.26Å; E28-T31 PolarHBondContact O-OG1 2.99Å; A29-T31 VanDerWaalsContact C-N 3.26Å; A29-T31 PolarHBondContact O-N 3.36Å; T31-Y60 CarbonylContact C-O 3.57Å; T31-Y60 WeakPolarHBondContact CA-O 3.46Å; T31-Y60 WeakPolarHBondContact CB-O 3.43Å; T31-K61 HydrophobicContact CG2-CB 4.43Å; T31-K61 HydrophobicContact CG2-CG 3.76Å
32	T	77.6	Confident	67.8	Low	18 Å²	18	78.5 Å²	78.5	11%	0.11	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.9	173.6	-66.7	0	0	0	0	110.4	Y60 H62	T32-Y60 PolarHBondContact N-O 2.8Å; T32-Y60 PolarHBondContact O-N 2.81Å; T32-H62 PolarHBondContact OG1-NE2 3.35Å
33	L	75.8	Confident	68.6	Low	26 Å²	26	76.7 Å²	76.7	14%	0.136	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	140.6	176	-75.6	171.3	0	0	0	112.1	S16 V18 C27 A35 P57 Q58	S16-L33 VanDerWaalsContact CB-CD1 3.45Å; V18-L33 HydrophobicContact CG2-CD1 3.84Å; V18-L33 HydrophobicContact CG2-CD2 3.13Å; V18-L33 HydrophobicContact CG2-CG 4.16Å; C27-L33 WeakPolarHBondContact SG-CD2 3.19Å; L33-A35 PolarHBondContact O-N 3.49Å; L33-P57 HydrophobicContact CD2-CB 3.86Å; L33-Q58 CarbonylContact C-O 3.53Å; L33-Q58 WeakPolarHBondContact CA-O 3.4Å
34	S	74.2	Confident	70	Confident	49 Å²	49	78.4 Å²	78.4	34%	0.343	43%	0.431	S	S	.	.	S	Bend	trans	-68.7	-23.4	174.8	67.2	0	0	0	0	113.4	P57 Q58	S34-P57 WeakPolarHBondContact OG-CA 3.15Å; S34-Q58 PolarHBondContact N-O 2.67Å; S34-Q58 PolarHBondContact OG-N 3.36Å
35	A	63.9	Low	70.6	Confident	15 Å²	15	77.4 Å²	77.4	12%	0.124	43%	0.427	C	S	.	.			trans	-134	123	178.1	0	0	0	0	0	108.5	L33 N37 P55	L33-A35 PolarHBondContact O-N 3.49Å; A35-N37 VanDerWaalsContact C-N 3.31Å; A35-P55 HydrophobicContact CB-CG 3.96Å
36	E	59.8	Low	71.2	Confident	146 Å²	146	78.1 Å²	78.1	68%	0.682	44%	0.437	S	S	*	.			trans	-86.5	-8.5	166.8	-69.9	-179.3	-179.5	0	0	111.1	R120	E36-R120 IonicContact OE1-CZ 3.76Å; E36-R120 IonicContact OE1-NH1 2.89Å; E36-R120 PolarHBondContact OE1-NH1 3.28Å; E36-R120 IonicContact OE1-NH2 2.76Å
37	N	57.5	Low	71.6	Confident	105 Å²	105	80 Å²	80	56%	0.561	45%	0.453	S	S	*	.			trans	-73	136.8	177.5	-75.7	9.1	0	0	0	111.3	A35 E39	A35-N37 VanDerWaalsContact C-N 3.31Å; N37-E39 VanDerWaalsContact C-N 3.31Å
38	D	60.2	Low	70.8	Confident	136 Å²	136	86.8 Å²	86.8	73%	0.727	48%	0.481	S	S	*	.			trans	-91.6	13.3	179.2	57.9	-26.4	0	0	0	113	V40	D38-V40 PolarHBondContact O-N 3.02Å
39	E	65.3	Low	70.1	Confident	122 Å²	122	84.2 Å²	84.2	57%	0.57	48%	0.475	S	S	*	.			trans	-62.8	124.9	177.9	-73.6	-173.7	173.9	0	0	110.9	N37 P53 Q54	N37-E39 VanDerWaalsContact C-N 3.31Å; E39-P53 CarbonylContact O-C 3.57Å; E39-P53 WeakPolarHBondContact O-CA 3.15Å; E39-Q54 PolarHBondContact O-N 3.12Å
40	V	70.4	Confident	69.8	Low	78 Å²	78	81.1 Å²	81.1	47%	0.473	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.6	175.3	-71.3	0	0	0	0	110.1	D38 W51 K52 P53	D38-V40 PolarHBondContact O-N 3.02Å; V40-W51 HydrophobicContact CB-CB 4.43Å; V40-W51 HydrophobicContact CB-CE3 4.28Å; V40-W51 HydrophobicContact CG2-CE3 3.75Å; V40-W51 HydrophobicContact CG2-CZ3 4.33Å; V40-K52 CarbonylContact C-O 3.55Å; V40-K52 WeakPolarHBondContact CA-O 3.5Å; V40-P53 HydrophobicContact CG1-CB 4.5Å
41	I	70.4	Confident	69.2	Low	85 Å²	85	85.4 Å²	85.4	44%	0.436	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.1	170.2	-64.4	-171.2	0	0	0	108.8	K52 Q54	I41-K52 PolarHBondContact N-O 2.85Å; I41-K52 PolarHBondContact O-N 2.76Å; I41-Q54 HydrophobicContact CD1-CB 3.96Å; I41-Q54 HydrophobicContact CD1-CG 3.62Å; I41-Q54 HydrophobicContact CG1-CB 3.83Å; I41-Q54 HydrophobicContact CG1-CG 4.1Å
42	C	76.4	Confident	68.6	Low	65 Å²	65	88.4 Å²	88.4	44%	0.439	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	125.1	169.4	-176.6	0	0	0	0	109.4	V49 W51	C42-V49 WeakPolarHBondContact SG-CG1 3.46Å; C42-W51 HydrophobicContact CB-CD2 4.33Å; C42-W51 HydrophobicContact CB-CE3 3.88Å; C42-W51 HydrophobicContact CB-CH2 3.91Å; C42-W51 HydrophobicContact CB-CZ2 4.32Å; C42-W51 HydrophobicContact CB-CZ3 3.67Å
43	S	67.1	Low	68.1	Low	35 Å²	35	88.6 Å²	88.6	25%	0.245	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	153.4	174.3	65	0	0	0	0	109.9	I50	S43-I50 PolarHBondContact N-O 2.91Å; S43-I50 PolarHBondContact O-N 3.46Å; S43-I50 VanDerWaalsContact O-O 3.09Å; S43-I50 PolarHBondContact OG-O 2.88Å
44	V	72.6	Confident	67.6	Low	106 Å²	106	92 Å²	92	64%	0.642	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.8	173.6	-177.9	0	0	0	0	108.1	K48 V49	V44-K48 WeakPolarHBondContact CA-O 3.3Å; V44-V49 HydrophobicContact CG2-CG2 4.49Å
45	D	68	Low	67.4	Low	84 Å²	84	93.4 Å²	93.4	45%	0.449	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112.8	171.6	-173.8	9.1	0	0	0	108.8	T47 K48 I50	D45-T47 PolarHBondContact O-N 2.8Å; D45-K48 PolarHBondContact N-O 3.03Å; D45-K48 PolarHBondContact O-N 3.39Å; D45-I50 HydrophobicContact CB-CD1 3.37Å; D45-I50 HydrophobicContact CB-CG1 4.13Å
46	N	72.2	Confident	67.7	Low	148 Å²	148	97.6 Å²	97.6	79%	0.791	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	-99	-167.7	-66.1	-27.6	0	0	0	112.5
47	T	75.3	Confident	68.2	Low	138 Å²	138	91.4 Å²	91.4	85%	0.847	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	3.7	-177.6	56.2	0	0	0	0	113.2	D45	D45-T47 PolarHBondContact O-N 2.8Å
48	K	60.1	Low	69.2	Low	152 Å²	152	91.6 Å²	91.6	66%	0.661	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	133.4	-176.4	-64.6	-175.3	-177.4	177.3	0	110.8	V44 D45 I50	V44-K48 WeakPolarHBondContact CA-O 3.3Å; D45-K48 PolarHBondContact N-O 3.03Å; D45-K48 PolarHBondContact O-N 3.39Å; K48-I50 HydrophobicContact CB-CG1 4.44Å
49	V	66.1	Low	70.3	Confident	93 Å²	93	87.8 Å²	87.8	56%	0.564	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	122.8	165.9	179.3	0	0	0	0	107.9	C42 V44	C42-V49 WeakPolarHBondContact SG-CG1 3.46Å; V44-V49 HydrophobicContact CG2-CG2 4.49Å
50	I	70.7	Confident	71.3	Confident	29 Å²	29	85 Å²	85	15%	0.149	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.8	179.9	-44.2	-174.5	0	0	0	108.9	S43 D45 K48 K52	S43-I50 PolarHBondContact N-O 2.91Å; S43-I50 PolarHBondContact O-N 3.46Å; S43-I50 VanDerWaalsContact O-O 3.09Å; S43-I50 PolarHBondContact OG-O 2.88Å; D45-I50 HydrophobicContact CB-CD1 3.37Å; D45-I50 HydrophobicContact CB-CG1 4.13Å; K48-I50 HydrophobicContact CB-CG1 4.44Å; I50-K52 HydrophobicContact CG2-CG 4.06Å
51	W	68.1	Low	72.2	Confident	145 Å²	145	86.6 Å²	86.6	55%	0.549	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	117.9	171.2	-62	89.8	0	0	0	108.6	V40 C42	V40-W51 HydrophobicContact CB-CB 4.43Å; V40-W51 HydrophobicContact CB-CE3 4.28Å; V40-W51 HydrophobicContact CG2-CE3 3.75Å; V40-W51 HydrophobicContact CG2-CZ3 4.33Å; C42-W51 HydrophobicContact CB-CD2 4.33Å; C42-W51 HydrophobicContact CB-CE3 3.88Å; C42-W51 HydrophobicContact CB-CH2 3.91Å; C42-W51 HydrophobicContact CB-CZ2 4.32Å; C42-W51 HydrophobicContact CB-CZ3 3.67Å
52	K	68	Low	72.9	Confident	81 Å²	81	83.5 Å²	83.5	35%	0.352	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.2	-179.4	-65.2	-177.7	-178.4	177.2	0	109.5	V40 I41 I50	V40-K52 CarbonylContact C-O 3.55Å; V40-K52 WeakPolarHBondContact CA-O 3.5Å; I41-K52 PolarHBondContact N-O 2.85Å; I41-K52 PolarHBondContact O-N 2.76Å; I50-K52 HydrophobicContact CG2-CG 4.06Å
53	P	67.4	Low	73.3	Confident	22 Å²	22	80.4 Å²	80.4	14%	0.143	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	139.9	174.4	25.5	-32.8	0	0	0	110.8	V18 E39 V40 P55 F56 P57	V18-P53 HydrophobicContact CG1-CG 4.16Å; E39-P53 CarbonylContact O-C 3.57Å; E39-P53 WeakPolarHBondContact O-CA 3.15Å; V40-P53 HydrophobicContact CG1-CB 4.5Å; P53-P55 CarbonylContact O-C 3.46Å; P53-F56 WeakPolarHBondContact O-CA 3.33Å; P53-F56 PolarHBondContact O-N 2.91Å; P53-P57 HydrophobicContact CB-CG 4.31Å; P53-P57 HydrophobicContact CG-CG 4.1Å
54	Q	66.2	Low	74.2	Confident	97 Å²	97	84.5 Å²	84.5	45%	0.453	42%	0.422	S	S	.	.	S	Bend	trans	-128.2	124.8	-177.5	-168	98.3	-0	0	0	110.1	E39 I41	E39-Q54 PolarHBondContact O-N 3.12Å; I41-Q54 HydrophobicContact CD1-CB 3.96Å; I41-Q54 HydrophobicContact CD1-CG 3.62Å; I41-Q54 HydrophobicContact CG1-CB 3.83Å; I41-Q54 HydrophobicContact CG1-CG 4.1Å
55	P	69.6	Low	74.7	Confident	79 Å²	79	79.8 Å²	79.8	51%	0.513	39%	0.393	S	S	.	.	S	Bend	cis	-64.2	156.7	-10.1	30.9	-35	0	0	0	110.7	A35 P53 P57	A35-P55 HydrophobicContact CB-CG 3.96Å; P53-P55 CarbonylContact O-C 3.46Å; P55-P57 VanDerWaalsContact O-CD 3.25Å; P55-P57 WeakPolarHBondContact O-CD 3.45Å
56	F	69.9	Low	75.3	Confident	103 Å²	103	77.9 Å²	77.9	45%	0.452	38%	0.381	S	S	.	.			trans	-60.2	116	177	-160.4	-92.5	0	0	0	109.1	I20 P53	I20-F56 HydrophobicContact CB-CZ 4.19Å; I20-F56 HydrophobicContact CD1-CE1 3.43Å; I20-F56 VanDerWaalsContact CD1-CE1 3.43Å; I20-F56 HydrophobicContact CD1-CE2 4.2Å; I20-F56 HydrophobicContact CD1-CZ 3.22Å; I20-F56 HydrophobicContact CG1-CE1 4.1Å; I20-F56 HydrophobicContact CG1-CE2 3.94Å; I20-F56 HydrophobicContact CG1-CZ 3.42Å; I20-F56 VanDerWaalsContact CG1-CZ 3.42Å; I20-F56 HydrophobicContact CG2-CE2 4.08Å; I20-F56 HydrophobicContact CG2-CZ 3.66Å; P53-F56 WeakPolarHBondContact O-CA 3.33Å; P53-F56 PolarHBondContact O-N 2.91Å
57	P	71.3	Confident	75.6	Confident	17 Å²	17	75.3 Å²	75.3	11%	0.11	37%	0.371	C	S	.	.			trans	-76.1	138.8	-166.6	29.7	-35.2	0	0	0	110.5	V18 L33 S34 P53 P55	V18-P57 HydrophobicContact CB-CG 3.93Å; V18-P57 HydrophobicContact CG1-CG 3.27Å; V18-P57 HydrophobicContact CG2-CB 3.83Å; V18-P57 HydrophobicContact CG2-CG 3.3Å; L33-P57 HydrophobicContact CD2-CB 3.86Å; S34-P57 WeakPolarHBondContact OG-CA 3.15Å; P53-P57 HydrophobicContact CB-CG 4.31Å; P53-P57 HydrophobicContact CG-CG 4.1Å; P55-P57 VanDerWaalsContact O-CD 3.25Å; P55-P57 WeakPolarHBondContact O-CD 3.45Å
58	Q	78.3	Confident	75.7	Confident	108 Å²	108	69.4 Å²	69.4	51%	0.505	34%	0.335	S	S	.	.			trans	-111.3	146.5	177.2	-61.2	-175.7	-13	0	0	109.4	L33 S34 Y60	L33-Q58 CarbonylContact C-O 3.53Å; L33-Q58 WeakPolarHBondContact CA-O 3.4Å; S34-Q58 PolarHBondContact N-O 2.67Å; S34-Q58 PolarHBondContact OG-N 3.36Å; Q58-Y60 HydrophobicContact CB-CE1 4.38Å; Q58-Y60 PolarHBondContact OE1-OH 2.78Å; Q58-Y60 VanDerWaalsContact OE1-OH 3.09Å
59	C	83.5	Confident	76.7	Confident	57 Å²	57	68.8 Å²	68.8	39%	0.385	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	111.5	171.6	-59.6	0	0	0	0	109	C27	C27-C59 WeakPolarHBondContact CA-SG 3.21Å; C27-C59 HydrophobicContact CB-CB 3.93Å; C27-C59 WeakPolarHBondContact CB-SG 3.41Å; C27-C59 WeakPolarHBondContact SG-CB 3.2Å; C27-C59 CovalentContact SG-SG 2.04Å; C27-C59 PolarHBondContact SG-SG 3.27Å
60	Y	86.2	Confident	77.6	Confident	62 Å²	62	69 Å²	69	24%	0.243	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	128.4	175.4	-66.1	-55.5	0	0	0	111.5	T31 T32 Q58 H121 N147	T31-Y60 CarbonylContact C-O 3.57Å; T31-Y60 WeakPolarHBondContact CA-O 3.46Å; T31-Y60 WeakPolarHBondContact CB-O 3.43Å; T32-Y60 PolarHBondContact N-O 2.8Å; T32-Y60 PolarHBondContact O-N 2.81Å; Q58-Y60 HydrophobicContact CB-CE1 4.38Å; Q58-Y60 PolarHBondContact OE1-OH 2.78Å; Q58-Y60 VanDerWaalsContact OE1-OH 3.09Å; Y60-H121 AromaticContact CD1-CE1 3.77Å; Y60-H121 AromaticContact CD1-ND1 3.59Å; Y60-H121 HydrophobicContact CD2-CB 4.08Å; Y60-H121 AromaticContact CD2-CD2 3.94Å; Y60-H121 AromaticContact CD2-CG 3.73Å; Y60-H121 AromaticContact CD2-ND1 3.92Å; Y60-H121 AromaticContact CE1-CE1 3.91Å; Y60-H121 HydrophobicContact CG-CB 4Å; Y60-H121 AromaticContact CG-CE1 3.94Å; Y60-H121 AromaticContact CG-CG 3.65Å; Y60-H121 AromaticContact CG-ND1 3.44Å; Y60-N147 WeakPolarHBondContact CA-OD1 3.45Å; Y60-N147 HydrophobicContact CD1-CB 4.15Å
61	K	88.6	Confident	78	Confident	112 Å²	112	68.2 Å²	68.2	49%	0.487	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	139.3	173.4	-68	177.7	178.4	-171.1	0	111.4	D30 T31 N147 G148	D30-K61 WeakPolarHBondContact O-CA 3.03Å; T31-K61 HydrophobicContact CG2-CB 4.43Å; T31-K61 HydrophobicContact CG2-CG 3.76Å; K61-N147 PolarHBondContact N-OD1 2.93Å; K61-G148 PolarHBondContact O-N 2.96Å
62	H	84.9	Confident	78.5	Confident	21 Å²	21	63.4 Å²	63.4	10%	0.097	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-68	148.7	170.7	-67	174.2	0	0	0	110.8	D30 T32 R118 V119 G148	D30-H62 PolarHBondContact O-N 3.49Å; T32-H62 PolarHBondContact OG1-NE2 3.35Å; H62-R118 HydrophobicContact CB-CB 4.2Å; H62-R118 WeakPolarHBondContact ND1-CD 2.97Å; H62-V119 VanDerWaalsContact CA-O 3.32Å; H62-V119 WeakPolarHBondContact CA-O 3.41Å; H62-V119 WeakPolarHBondContact CB-O 3.32Å; H62-G148 WeakPolarHBondContact O-CA 3.38Å
63	C	86.1	Confident	79	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	145.4	167.8	-71.3	0	0	0	0	110	R118 V119 S145 V149 W150	C63-R118 WeakPolarHBondContact O-CA 3.41Å; C63-V119 HydrophobicContact CB-CG2 4.13Å; C63-V119 PolarHBondContact N-O 3.08Å; C63-V119 WeakPolarHBondContact O-CG2 3.49Å; C63-V119 PolarHBondContact O-N 2.87Å; C63-S145 WeakPolarHBondContact CB-OG 3.42Å; C63-S145 VanDerWaalsContact SG-CA 3.56Å; C63-S145 VanDerWaalsContact SG-CB 3.54Å; C63-S145 PolarHBondContact SG-OG 2.8Å; C63-V149 PolarHBondContact SG-N 3.23Å; C63-V149 VanDerWaalsContact SG-N 3.35Å; C63-W150 HydrophobicContact CB-CD2 4.19Å; C63-W150 HydrophobicContact CB-CH2 4.18Å; C63-W150 HydrophobicContact CB-CZ2 3.51Å
64	Y	85.6	Confident	79.7	Confident	120 Å²	120	61.2 Å²	61.2	47%	0.471	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	137	173.2	-61.6	-89	0	0	0	109.9	D30 G117 R118 W150	D30-Y64 PolarHBondContact OD2-OH 3.02Å; Y64-G117 WeakPolarHBondContact CA-O 3.23Å; Y64-R118 HydrophobicContact CD1-CB 4.39Å; Y64-R118 HydrophobicContact CE1-CB 4.36Å; Y64-W150 PolarHBondContact O-NE1 3.3Å
65	L	82.8	Confident	80.4	Confident	7 Å²	7	57.4 Å²	57.4	4%	0.037	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-68.1	141.3	176.1	-67.8	169.7	0	0	0	110.6	T89 I113 G116 G117 V119 L125 W150	L65-T89 HydrophobicContact CB-CG2 4.45Å; L65-T89 HydrophobicContact CD1-CG2 4.37Å; L65-I113 HydrophobicContact CD1-CB 3.55Å; L65-I113 HydrophobicContact CD1-CD1 4.02Å; L65-I113 HydrophobicContact CD1-CG1 4.38Å; L65-I113 HydrophobicContact CD1-CG2 3.03Å; L65-G116 PolarHBondContact O-N 2.85Å; L65-G117 WeakPolarHBondContact CB-O 3.43Å; L65-G117 WeakPolarHBondContact CG-O 3.44Å; L65-G117 PolarHBondContact N-O 2.66Å; L65-V119 HydrophobicContact CD1-CG1 3.97Å; L65-V119 HydrophobicContact CD2-CG1 3.87Å; L65-V119 HydrophobicContact CD2-CG2 4.3Å; L65-V119 HydrophobicContact CG-CG1 3.92Å; L65-L125 HydrophobicContact CD2-CD1 3.86Å; L65-L125 HydrophobicContact CD2-CD2 3.55Å; L65-L125 HydrophobicContact CD2-CG 4.29Å; L65-W150 HydrophobicContact CD2-CZ2 4.32Å
66	F	80.7	Confident	80.8	Confident	44 Å²	44	54.3 Å²	54.3	19%	0.193	26%	0.259	C	S	.	.			trans	-123.4	159.7	-178.4	60.3	-90.3	0	0	0	110.4	V68 V73 L125 V127 T143 W150	F66-V68 HydrophobicContact CD2-CG2 3.77Å; F66-V68 HydrophobicContact CE2-CG2 3.53Å; F66-V73 HydrophobicContact CD2-CG2 4.49Å; F66-V73 HydrophobicContact CE2-CG2 4.31Å; F66-L125 HydrophobicContact CD1-CD1 4.22Å; F66-L125 HydrophobicContact CE1-CD1 3.59Å; F66-L125 HydrophobicContact CZ-CD1 4.05Å; F66-V127 HydrophobicContact CE2-CG2 4.28Å; F66-V127 HydrophobicContact CZ-CG2 4.33Å; F66-T143 HydrophobicContact CE1-CG2 4.17Å; F66-T143 HydrophobicContact CZ-CG2 3.92Å; F66-W150 AromaticContact CD1-CD1 3.58Å; F66-W150 HydrophobicContact CD1-CD2 4.45Å; F66-W150 HydrophobicContact CD1-CG 4.2Å; F66-W150 AromaticContact CD1-NE1 3.46Å; F66-W150 HydrophobicContact CE1-CB 4.43Å; F66-W150 AromaticContact CE1-CD1 3.55Å; F66-W150 AromaticContact CE1-CD2 3.83Å; F66-W150 HydrophobicContact CE1-CD2 3.83Å; F66-W150 AromaticContact CE1-CE2 3.82Å; F66-W150 AromaticContact CE1-CG 3.69Å; F66-W150 HydrophobicContact CE1-CG 3.69Å; F66-W150 AromaticContact CE1-NE1 3.61Å
67	T	78.8	Confident	80.8	Confident	94 Å²	94	52.8 Å²	52.8	58%	0.577	26%	0.255	S	S	*	.			trans	-98.8	157.9	167.9	51.6	0	0	0	0	110.3	P115	T67-P115 HydrophobicContact CG2-CB 3.83Å; T67-P115 HydrophobicContact CG2-CG 3.42Å; T67-P115 VanDerWaalsContact CG2-CG 3.42Å
68	V	77.5	Confident	80.3	Confident	15 Å²	15	55 Å²	55	9%	0.091	27%	0.271	C	S	.	.			trans	-123.9	126.7	173.7	-175.4	0	0	0	0	107.9	F66 Y70 G71 V73 V127 C156	F66-V68 HydrophobicContact CD2-CG2 3.77Å; F66-V68 HydrophobicContact CE2-CG2 3.53Å; V68-Y70 PolarHBondContact O-N 2.99Å; V68-G71 PolarHBondContact O-N 2.81Å; V68-G71 VanDerWaalsContact O-O 3.09Å; V68-V73 HydrophobicContact CB-CG2 4.3Å; V68-V73 HydrophobicContact CG2-CG2 3.7Å; V68-V127 HydrophobicContact CB-CG1 4.21Å; V68-V127 HydrophobicContact CG1-CG1 4.28Å; V68-V127 HydrophobicContact CG2-CG1 3.83Å; V68-V127 HydrophobicContact CG2-CG2 4.43Å; V68-C156 HydrophobicContact CG1-CB 4.44Å; V68-C156 WeakPolarHBondContact CG1-SG 3.44Å
69	E	81.1	Confident	79.2	Confident	138 Å²	138	54.1 Å²	54.1	65%	0.645	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	133.4	175.3	-157	-178.4	-176	0	0	109.7	G71 C156	E69-G71 PolarHBondContact O-N 3.48Å; E69-C156 WeakPolarHBondContact O-CB 3.37Å; E69-C156 PolarHBondContact O-SG 2.83Å
70	Y	83.5	Confident	77.4	Confident	99 Å²	99	59.6 Å²	59.6	39%	0.388	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	28.1	-176.1	-44.1	-70.8	0	0	0	114.8	V68 Q130 Y133 C156	V68-Y70 PolarHBondContact O-N 2.99Å; Y70-Q130 WeakPolarHBondContact O-CB 3.43Å; Y70-Q130 WeakPolarHBondContact O-CG 3.36Å; Y70-Q130 PolarHBondContact O-N 3.03Å; Y70-Y133 HydrophobicContact CD1-CE1 4.21Å; Y70-Y133 AromaticContact CD1-CE2 3.79Å; Y70-Y133 HydrophobicContact CD1-CE2 3.79Å; Y70-Y133 AromaticContact CD1-CZ 3.56Å; Y70-Y133 WeakPolarHBondContact CD1-OH 3.28Å; Y70-Y133 HydrophobicContact CD2-CD1 4.05Å; Y70-Y133 AromaticContact CD2-CE1 3.4Å; Y70-Y133 HydrophobicContact CD2-CE1 3.4Å; Y70-Y133 VanDerWaalsContact CD2-CE1 3.4Å; Y70-Y133 HydrophobicContact CD2-CE2 4.43Å; Y70-Y133 AromaticContact CD2-CZ 3.64Å; Y70-Y133 AromaticContact CE1-CZ 4Å; Y70-Y133 WeakPolarHBondContact CE1-OH 3.49Å; Y70-Y133 AromaticContact CE2-CE1 3.96Å; Y70-Y133 HydrophobicContact CE2-CE1 3.96Å; Y70-Y133 HydrophobicContact CG-CD1 4.05Å; Y70-Y133 HydrophobicContact CG-CD2 4.23Å; Y70-Y133 AromaticContact CG-CE1 3.53Å; Y70-Y133 HydrophobicContact CG-CE1 3.53Å; Y70-Y133 AromaticContact CG-CE2 3.73Å; Y70-Y133 HydrophobicContact CG-CE2 3.73Å; Y70-Y133 HydrophobicContact CG-CG 4.38Å; Y70-Y133 AromaticContact CG-CZ 3.35Å; Y70-C156 PolarHBondContact O-SG 2.92Å
71	G	79.5	Confident	75.6	Confident	12 Å²	12	63.6 Å²	63.6	12%	0.124	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	167.4	176.8	0	0	0	0	0	112.2	V68 E69 T128	V68-G71 PolarHBondContact O-N 2.81Å; V68-G71 VanDerWaalsContact O-O 3.09Å; E69-G71 PolarHBondContact O-N 3.48Å; G71-T128 CarbonylContact C-O 3.52Å; G71-T128 WeakPolarHBondContact CA-O 3.47Å
72	D	79.3	Confident	73.9	Confident	43 Å²	43	61.2 Å²	61.2	23%	0.23	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.6	171.3	-61	-73.1	0	0	0	109.4	Y74 K88 V127 T128	D72-Y74 HydrophobicContact CB-CD2 4.39Å; D72-Y74 HydrophobicContact CB-CE2 3.57Å; D72-K88 WeakPolarHBondContact OD1-CE 2.97Å; D72-K88 IonicContact OD1-NZ 2.7Å; D72-K88 PolarHBondContact OD1-NZ 3.04Å; D72-K88 IonicContact OD2-NZ 3.78Å; D72-V127 WeakPolarHBondContact O-CA 3.45Å; D72-T128 WeakPolarHBondContact CB-OG1 3.34Å; D72-T128 PolarHBondContact N-O 2.99Å; D72-T128 PolarHBondContact O-N 3.36Å; D72-T128 PolarHBondContact O-OG1 3.35Å
73	V	79.1	Confident	72.4	Confident	4 Å²	4	65.9 Å²	65.9	2%	0.024	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.8	176.6	-177.1	0	0	0	0	108.2	F66 V68 T89 L125 V127	F66-V73 HydrophobicContact CD2-CG2 4.49Å; F66-V73 HydrophobicContact CE2-CG2 4.31Å; V68-V73 HydrophobicContact CB-CG2 4.3Å; V68-V73 HydrophobicContact CG2-CG2 3.7Å; V73-T89 VanDerWaalsContact C-OG1 3.28Å; V73-T89 VanDerWaalsContact O-CB 3.28Å; V73-T89 WeakPolarHBondContact O-CB 3.34Å; V73-T89 PolarHBondContact O-N 3.47Å; V73-T89 PolarHBondContact O-OG1 2.98Å; V73-L125 HydrophobicContact CG1-CB 4.14Å; V73-L125 HydrophobicContact CG1-CD1 3.88Å; V73-L125 HydrophobicContact CG1-CD2 4.33Å; V73-L125 HydrophobicContact CG1-CG 4.34Å; V73-V127 HydrophobicContact CG2-CG2 4.32Å
74	Y	80.6	Confident	71.3	Confident	53 Å²	53	71.2 Å²	71.2	21%	0.208	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.6	177.6	-56.8	-97.3	0	0	0	111.3	D72 I76 I86 I87 K88 L125 N126 T128	D72-Y74 HydrophobicContact CB-CD2 4.39Å; D72-Y74 HydrophobicContact CB-CE2 3.57Å; Y74-I76 PolarHBondContact O-N 2.87Å; Y74-I86 HydrophobicContact CD1-CG2 3.56Å; Y74-I86 HydrophobicContact CG-CG2 3.67Å; Y74-I87 CarbonylContact C-O 3.49Å; Y74-I87 WeakPolarHBondContact CA-O 3.46Å; Y74-K88 HydrophobicContact CD1-CB 3.72Å; Y74-K88 HydrophobicContact CD1-CG 4.02Å; Y74-K88 HydrophobicContact CE1-CB 3.64Å; Y74-K88 HydrophobicContact CE1-CD 4Å; Y74-K88 HydrophobicContact CE1-CG 3.66Å; Y74-L125 CarbonylContact O-C 3.5Å; Y74-L125 VanDerWaalsContact O-CA 3.25Å; Y74-L125 WeakPolarHBondContact O-CA 3.2Å; Y74-N126 PolarHBondContact N-O 3.4Å; Y74-N126 PolarHBondContact O-N 2.82Å; Y74-T128 HydrophobicContact CD2-CG2 4.04Å; Y74-T128 HydrophobicContact CE2-CG2 3.67Å; Y74-T128 WeakPolarHBondContact CE2-OG1 3.46Å
75	L	80.8	Confident	70.2	Confident	17 Å²	17	67.7 Å²	67.7	9%	0.089	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	123.6	168.6	-178.9	72.7	0	0	0	109.9	N77 I86 I87 I113 V119 E124 L125	L75-N77 PolarHBondContact O-N 2.89Å; L75-I86 WeakPolarHBondContact O-CA 3.35Å; L75-I87 HydrophobicContact CB-CB 4.4Å; L75-I87 PolarHBondContact N-O 2.95Å; L75-I87 PolarHBondContact O-N 3.09Å; L75-I113 HydrophobicContact CB-CD1 3.95Å; L75-I113 HydrophobicContact CD2-CD1 3.28Å; L75-I113 HydrophobicContact CG-CD1 4.2Å; L75-V119 HydrophobicContact CD1-CG1 4.22Å; L75-V119 HydrophobicContact CD2-CG1 4.43Å; L75-E124 WeakPolarHBondContact CD1-O 3.38Å; L75-L125 HydrophobicContact CB-CD2 3.94Å; L75-L125 HydrophobicContact CD1-CD2 3.57Å; L75-L125 HydrophobicContact CG-CD2 4.37Å
76	I	78.9	Confident	69.4	Low	15 Å²	15	72 Å²	72	8%	0.077	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	105.3	169.3	-61	166.1	0	0	0	107.2	Y74 K84 E124 N126 I142	Y74-I76 PolarHBondContact O-N 2.87Å; I76-K84 HydrophobicContact CG2-CB 4Å; I76-K84 HydrophobicContact CG2-CD 3.61Å; I76-K84 HydrophobicContact CG2-CG 3.87Å; I76-E124 HydrophobicContact CB-CB 3.91Å; I76-E124 HydrophobicContact CD1-CB 4.13Å; I76-E124 HydrophobicContact CG2-CB 4.46Å; I76-E124 PolarHBondContact N-O 3.34Å; I76-N126 HydrophobicContact CD1-CB 3.92Å; I76-N126 HydrophobicContact CG1-CB 4.18Å; I76-I142 HydrophobicContact CD1-CD1 4.24Å; I76-I142 HydrophobicContact CD1-CG1 4.21Å; I76-I142 HydrophobicContact CD1-CG2 4.47Å
77	N	70.2	Confident	68.8	Low	71 Å²	71	71.1 Å²	71.1	38%	0.38	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	104.7	171.6	-171.5	-6.3	0	0	0	109.2	L75 K79 Q85 I87	L75-N77 PolarHBondContact O-N 2.89Å; N77-K79 PolarHBondContact O-N 2.83Å; N77-Q85 HydrophobicContact CB-CB 4.4Å; N77-Q85 PolarHBondContact N-O 2.85Å; N77-Q85 PolarHBondContact O-N 3.49Å; N77-I87 HydrophobicContact CB-CD1 4.42Å
78	S	60.6	Low	68.2	Low	63 Å²	63	70.8 Å²	70.8	44%	0.441	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	107	174.4	-62.5	0	0	0	0	108.9
79	K	55.8	Low	67.6	Low	89 Å²	89	70.7 Å²	70.7	39%	0.387	37%	0.37	S	S	.	.			trans	-71.5	155.2	170.7	-66.5	-174.6	177.9	176.3	0	109.4	N77 N81 G82 N83	N77-K79 PolarHBondContact O-N 2.83Å; K79-N81 PolarHBondContact O-N 3.47Å; K79-G82 PolarHBondContact O-N 2.84Å; K79-N83 WeakPolarHBondContact CB-O 3.45Å; K79-N83 PolarHBondContact N-O 2.91Å
80	N	45.7	Very low	66.5	Low	172 Å²	172	65.2 Å²	65.2	92%	0.92	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-18	179.6	-75.6	-11.3	0	0	0	114.6
81	N	46.9	Very low	64.9	Low	146 Å²	146	65.3 Å²	65.3	78%	0.781	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	12	-178.4	-59	9	0	0	0	113.5	K79 N83	K79-N81 PolarHBondContact O-N 3.47Å; N81-N83 PolarHBondContact O-N 2.87Å
82	G	54	Low	63.3	Low	62 Å²	62	72.4 Å²	72.4	64%	0.639	39%	0.387	S	S	*	.	S	Bend	trans	78.7	-11.8	-176.9	0	0	0	0	0	114.7	K79 K84	K79-G82 PolarHBondContact O-N 2.84Å; G82-K84 PolarHBondContact O-N 2.99Å
83	N	53	Low	61.5	Low	120 Å²	120	77.4 Å²	77.4	64%	0.642	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-69.7	121.1	172	-77	-14	0	0	0	110.5	K79 N81	K79-N83 WeakPolarHBondContact CB-O 3.45Å; K79-N83 PolarHBondContact N-O 2.91Å; N81-N83 PolarHBondContact O-N 2.87Å
84	K	62.7	Low	59.5	Low	111 Å²	111	82.4 Å²	82.4	48%	0.483	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116	173.5	-70.9	-175.2	170.6	-150.2	0	109.4	I76 G82 E124	I76-K84 HydrophobicContact CG2-CB 4Å; I76-K84 HydrophobicContact CG2-CD 3.61Å; I76-K84 HydrophobicContact CG2-CG 3.87Å; G82-K84 PolarHBondContact O-N 2.99Å; K84-E124 IonicContact NZ-OE2 3.93Å; K84-E124 PolarHBondContact NZ-OE2 3.16Å
85	Q	63.4	Low	57.2	Low	46 Å²	46	83 Å²	83	22%	0.215	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.8	167.5	-175.3	172.3	4.2	0	0	108.5	N77 I87 D110	N77-Q85 HydrophobicContact CB-CB 4.4Å; N77-Q85 PolarHBondContact N-O 2.85Å; N77-Q85 PolarHBondContact O-N 3.49Å; Q85-I87 HydrophobicContact CG-CG1 4.24Å; Q85-D110 PolarHBondContact NE2-OD1 2.85Å
86	I	65.7	Low	55	Low	99 Å²	99	89 Å²	89	51%	0.508	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	115.3	-179.9	-59.8	-179.8	0	0	0	107.3	Y74 L75	Y74-I86 HydrophobicContact CD1-CG2 3.56Å; Y74-I86 HydrophobicContact CG-CG2 3.67Å; L75-I86 WeakPolarHBondContact O-CA 3.35Å
87	I	67.6	Low	52.5	Low	25 Å²	25	90.9 Å²	90.9	13%	0.128	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	120.9	-178.2	-55.7	172.9	0	0	0	108.3	Y74 L75 N77 Q85 I113	Y74-I87 CarbonylContact C-O 3.49Å; Y74-I87 WeakPolarHBondContact CA-O 3.46Å; L75-I87 HydrophobicContact CB-CB 4.4Å; L75-I87 PolarHBondContact N-O 2.95Å; L75-I87 PolarHBondContact O-N 3.09Å; N77-I87 HydrophobicContact CB-CD1 4.42Å; Q85-I87 HydrophobicContact CG-CG1 4.24Å; I87-I113 HydrophobicContact CG2-CG1 4.26Å
88	K	67.1	Low	50.5	Low	86 Å²	86	96.8 Å²	96.8	37%	0.374	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	131.8	177.9	-169.5	174.4	179.4	173.5	0	110.5	D72 Y74	D72-K88 WeakPolarHBondContact OD1-CE 2.97Å; D72-K88 IonicContact OD1-NZ 2.7Å; D72-K88 PolarHBondContact OD1-NZ 3.04Å; D72-K88 IonicContact OD2-NZ 3.78Å; Y74-K88 HydrophobicContact CD1-CB 3.72Å; Y74-K88 HydrophobicContact CD1-CG 4.02Å; Y74-K88 HydrophobicContact CE1-CB 3.64Å; Y74-K88 HydrophobicContact CE1-CD 4Å; Y74-K88 HydrophobicContact CE1-CG 3.66Å
89	T	64.6	Low	48.9	Very low	13 Å²	13	101 Å²	101	8%	0.08	55%	0.55	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	115.5	168.9	-26.8	0	0	0	0	106.3	L65 V73 I113	L65-T89 HydrophobicContact CB-CG2 4.45Å; L65-T89 HydrophobicContact CD1-CG2 4.37Å; V73-T89 VanDerWaalsContact C-OG1 3.28Å; V73-T89 VanDerWaalsContact O-CB 3.28Å; V73-T89 WeakPolarHBondContact O-CB 3.34Å; V73-T89 PolarHBondContact O-N 3.47Å; V73-T89 PolarHBondContact O-OG1 2.98Å; T89-I113 WeakPolarHBondContact CA-O 3.49Å; T89-I113 WeakPolarHBondContact CG2-O 3.39Å
90	T	56.6	Low	47.7	Very low	24 Å²	24	102.9 Å²	102.9	15%	0.147	57%	0.568	C	S	.	*			trans	-132.7	147.7	-180	175.9	0	0	0	0	111.4	E92 I112 I113	T90-E92 PolarHBondContact OG1-N 2.83Å; T90-I112 HydrophobicContact CG2-CB 4.22Å; T90-I112 HydrophobicContact CG2-CD1 4.04Å; T90-I112 HydrophobicContact CG2-CG1 3.93Å; T90-I112 HydrophobicContact CG2-CG2 3.32Å; T90-I113 PolarHBondContact N-O 2.81Å
91	T	50.6	Low	46.9	Very low	100 Å²	100	103.4 Å²	103.4	61%	0.613	57%	0.566	S	S	*	*			trans	-94.7	-10.5	172	44.5	0	0	0	0	113.1	E93 P115	T91-E93 PolarHBondContact O-N 3.01Å; T91-P115 HydrophobicContact CG2-CG 3.4Å; T91-P115 VanDerWaalsContact CG2-CG 3.4Å
92	E	45	Very low	46.2	Very low	162 Å²	162	102.4 Å²	102.4	76%	0.757	56%	0.559	S	S	*	*	S	Bend	trans	-69.8	98.8	-177.6	-70.9	178.4	167.1	0	0	109.6	T90	T90-E92 PolarHBondContact OG1-N 2.83Å
93	E	41.5	Very low	44.9	Very low	148 Å²	148	107 Å²	107	69%	0.692	56%	0.563	S	S	*	*			trans	41.8	71.5	163.5	-65.1	-178.7	176.7	0	0	117	T91 G95 I96	T91-E93 PolarHBondContact O-N 3.01Å; E93-G95 PolarHBondContact O-N 3.47Å; E93-I96 HydrophobicContact CG-CD1 4.43Å
94	F	39	Very low	43.8	Very low	108 Å²	108	108.7 Å²	108.7	47%	0.474	57%	0.571	S	S	.	*	S	Bend	trans	-85.7	92.4	147.3	-131.8	-91.2	0	0	0	107.9	I112 L114	F94-I112 HydrophobicContact CD2-CB 4.24Å; F94-I112 HydrophobicContact CD2-CD1 4.47Å; F94-I112 HydrophobicContact CD2-CG2 4.19Å; F94-I112 HydrophobicContact CE2-CB 4.13Å; F94-I112 HydrophobicContact CE2-CD1 4.43Å; F94-L114 HydrophobicContact CB-CD1 4.1Å; F94-L114 HydrophobicContact CB-CD2 3.91Å; F94-L114 HydrophobicContact CB-CG 4.31Å
95	G	32	Very low	42	Very low	67 Å²	67	107.9 Å²	107.9	69%	0.691	58%	0.576	S	S	*	*	S	Bend	trans	108.3	23.5	162.4	0	0	0	0	0	119.3	E93 G97	E93-G95 PolarHBondContact O-N 3.47Å; G95-G97 VanDerWaalsContact C-N 3.31Å
96	I	33.3	Very low	40.1	Very low	143 Å²	143	113.2 Å²	113.2	73%	0.733	61%	0.606	S	S	*	*			trans	-100.5	57.1	161.8	-46.8	179.3	0	0	0	109.1	E93	E93-I96 HydrophobicContact CG-CD1 4.43Å
97	G	27.5	Very low	38.3	Very low	54 Å²	54	112.1 Å²	112.1	56%	0.557	61%	0.612	S	S	*	*	S	Bend	trans	-138.5	110.6	168.2	0	0	0	0	0	107.5	G95 N99	G95-G97 VanDerWaalsContact C-N 3.31Å; G97-N99 PolarHBondContact O-N 3.32Å
98	E	28.7	Very low	36.6	Very low	194 Å²	194	118.3 Å²	118.3	91%	0.907	64%	0.644	S	S	*	*	S	Bend	trans	-49.6	133.6	173.5	-64.6	179.1	153.2	0	0	109.6
99	N	27.1	Very low	34.9	Very low	153 Å²	153	117.9 Å²	117.9	82%	0.818	65%	0.652	S	S	*	*			trans	71.7	96.3	-174.9	-67.1	-32	0	0	0	116.8	G97	G97-N99 PolarHBondContact O-N 3.32Å
100	T	30.1	Very low	33.5	Very low	127 Å²	127	123 Å²	123	78%	0.779	68%	0.678	S	S	*	*				-170.4	126.5	121.9	18.1	0	0	0	0	111	I102	T100-I102 PolarHBondContact O-N 2.88Å; T100-I102 VanDerWaalsContact O-N 3.1Å
101	Q	27.6	Very low	32.8	Very low	184 Å²	184	128 Å²	128	86%	0.86	70%	0.7	S	S	*	*			trans	-58.2	109.9	166.4	-70.5	172.7	-25.3	0	0	108.5	H103	Q101-H103 PolarHBondContact O-N 2.7Å
102	I	32.9	Very low	32.6	Very low	124 Å²	124	126.5 Å²	126.5	64%	0.636	69%	0.687	S	S	*	*			trans	-74.3	94	176.4	-57.9	176.4	0	0	0	107.8	T100 L104	T100-I102 PolarHBondContact O-N 2.88Å; T100-I102 VanDerWaalsContact O-N 3.1Å; I102-L104 PolarHBondContact O-N 3.44Å; I102-L104 VanDerWaalsContact O-N 3.11Å
103	H	25.9	Very low	33	Very low	158 Å²	158	120.5 Å²	120.5	73%	0.731	66%	0.66	S	S	*	*			trans	-66.6	101.3	161.1	-100.8	-40.7	0	0	0	108.6	Q101 T105	Q101-H103 PolarHBondContact O-N 2.7Å; H103-T105 PolarHBondContact O-N 3.09Å
104	L	30.6	Very low	33.6	Very low	156 Å²	156	117 Å²	117	82%	0.817	65%	0.646	S	S	*	*			trans	-66.9	79.2	163	-82.3	147.2	0	0	0	109	I102	I102-L104 PolarHBondContact O-N 3.44Å; I102-L104 VanDerWaalsContact O-N 3.11Å
105	T	24.2	Very low	34.8	Very low	95 Å²	95	114.2 Å²	114.2	58%	0.583	64%	0.639	S	S	*	*			trans	-129.8	116.4	173	47.4	0	0	0	0	111.1	H103	H103-T105 PolarHBondContact O-N 3.09Å
106	N	24.2	Very low	36.4	Very low	157 Å²	157	113.4 Å²	113.4	84%	0.84	63%	0.63	S	S	*	*			trans	68.9	125	148.1	-63.6	-19.2	0	0	0	120.6
107	A	27.8	Very low	38.4	Very low	77 Å²	77	107.6 Å²	107.6	64%	0.636	61%	0.606	S	S	*	*	S	Bend	trans	65.2	102	143.9	0	0	0	0	0	118.9	S109	A107-S109 PolarHBondContact O-N 3.4Å
108	I	31.7	Very low	41	Very low	154 Å²	154	111.4 Å²	111.4	79%	0.79	60%	0.603	S	S	*	*			trans	72.5	5.7	135.9	-53.4	167.3	0	0	0	117.4
109	S	31.8	Very low	43.5	Very low	78 Å²	78	102.8 Å²	102.8	55%	0.545	56%	0.564	S	S	.	*			trans	-105.6	114.9	-175.4	176.4	0	0	0	0	114.3	A107 Q111	A107-S109 PolarHBondContact O-N 3.4Å; S109-Q111 VanDerWaalsContact C-N 3.29Å; S109-Q111 WeakPolarHBondContact O-CG 3.25Å; S109-Q111 PolarHBondContact O-N 3.32Å
110	D	34.8	Very low	46.1	Very low	119 Å²	119	102.1 Å²	102.1	64%	0.636	55%	0.55	S	S	*	*			trans	41.8	29.1	135.8	-56.1	-26.3	0	0	0	121.2	Q85 I112	Q85-D110 PolarHBondContact NE2-OD1 2.85Å; D110-I112 PolarHBondContact O-N 3.28Å; D110-I112 VanDerWaalsContact O-N 3.16Å
111	Q	42.5	Very low	48.7	Very low	131 Å²	131	99.3 Å²	99.3	61%	0.612	53%	0.528	S	S	*	.			trans	-82.9	101.1	179	-76.1	171.7	20	0	0	111.4	S109 I113	S109-Q111 VanDerWaalsContact C-N 3.29Å; S109-Q111 WeakPolarHBondContact O-CG 3.25Å; S109-Q111 PolarHBondContact O-N 3.32Å; Q111-I113 PolarHBondContact O-N 2.83Å
112	I	46.3	Very low	51.4	Low	67 Å²	67	92.4 Å²	92.4	34%	0.344	51%	0.506	S	S	.	.			trans	-27.8	123.8	151.8	-70.1	164.1	0	0	0	109.8	T90 F94 D110	T90-I112 HydrophobicContact CG2-CB 4.22Å; T90-I112 HydrophobicContact CG2-CD1 4.04Å; T90-I112 HydrophobicContact CG2-CG1 3.93Å; T90-I112 HydrophobicContact CG2-CG2 3.32Å; F94-I112 HydrophobicContact CD2-CB 4.24Å; F94-I112 HydrophobicContact CD2-CD1 4.47Å; F94-I112 HydrophobicContact CD2-CG2 4.19Å; F94-I112 HydrophobicContact CE2-CB 4.13Å; F94-I112 HydrophobicContact CE2-CD1 4.43Å; D110-I112 PolarHBondContact O-N 3.28Å; D110-I112 VanDerWaalsContact O-N 3.16Å
113	I	53.6	Low	53.8	Low	36 Å²	36	87.8 Å²	87.8	19%	0.185	49%	0.485	C	S	.	.	B	Isolated β-bridge	trans	-98.3	124.3	175.5	-37.4	174.5	0	0	0	108.5	L65 L75 I87 T89 T90 Q111	L65-I113 HydrophobicContact CD1-CB 3.55Å; L65-I113 HydrophobicContact CD1-CD1 4.02Å; L65-I113 HydrophobicContact CD1-CG1 4.38Å; L65-I113 HydrophobicContact CD1-CG2 3.03Å; L75-I113 HydrophobicContact CB-CD1 3.95Å; L75-I113 HydrophobicContact CD2-CD1 3.28Å; L75-I113 HydrophobicContact CG-CD1 4.2Å; I87-I113 HydrophobicContact CG2-CG1 4.26Å; T89-I113 WeakPolarHBondContact CA-O 3.49Å; T89-I113 WeakPolarHBondContact CG2-O 3.39Å; T90-I113 PolarHBondContact N-O 2.81Å; Q111-I113 PolarHBondContact O-N 2.83Å
114	L	55.2	Low	56.7	Low	74 Å²	74	82.5 Å²	82.5	39%	0.387	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-72.7	149.6	176.2	-68.7	168.9	0	0	0	110.2	F94 G116 G117	F94-L114 HydrophobicContact CB-CD1 4.1Å; F94-L114 HydrophobicContact CB-CD2 3.91Å; F94-L114 HydrophobicContact CB-CG 4.31Å; L114-G116 PolarHBondContact O-N 2.79Å; L114-G117 PolarHBondContact O-N 2.04Å
115	P	62.6	Low	59.3	Low	50 Å²	50	75 Å²	75	33%	0.325	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	140.7	168.3	-21.7	32.8	0	0	0	110.9	T67 T91 G117	T67-P115 HydrophobicContact CG2-CB 3.83Å; T67-P115 HydrophobicContact CG2-CG 3.42Å; T67-P115 VanDerWaalsContact CG2-CG 3.42Å; T91-P115 HydrophobicContact CG2-CG 3.4Å; T91-P115 VanDerWaalsContact CG2-CG 3.4Å; P115-G117 VanDerWaalsContact C-N 3.26Å; P115-G117 PolarHBondContact O-N 2.84Å
116	G	67.1	Low	62.1	Low	50 Å²	50	72.4 Å²	72.4	52%	0.515	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-6.8	-173.2	0	0	0	0	0	114.7	L65 L114	L65-G116 PolarHBondContact O-N 2.85Å; L114-G116 PolarHBondContact O-N 2.79Å
117	G	74.9	Confident	64.7	Low	21 Å²	21	65 Å²	65	22%	0.216	36%	0.364	C	S	.	.			trans	-58.7	145.2	167.4	0	0	0	0	0	111.6	Y64 L65 L114 P115	Y64-G117 WeakPolarHBondContact CA-O 3.23Å; L65-G117 WeakPolarHBondContact CB-O 3.43Å; L65-G117 WeakPolarHBondContact CG-O 3.44Å; L65-G117 PolarHBondContact N-O 2.66Å; L114-G117 PolarHBondContact O-N 2.04Å; P115-G117 VanDerWaalsContact C-N 3.26Å; P115-G117 PolarHBondContact O-N 2.84Å
118	R	80.7	Confident	67.2	Low	134 Å²	134	63.3 Å²	63.3	51%	0.506	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	139.1	179.9	69.4	-172.9	-179.6	-178.1	-2.8	111.5	D30 H62 C63 Y64	D30-R118 IonicContact OD1-CZ 3.98Å; D30-R118 IonicContact OD1-NH1 2.97Å; D30-R118 PolarHBondContact OD1-NH1 3.46Å; H62-R118 HydrophobicContact CB-CB 4.2Å; H62-R118 WeakPolarHBondContact ND1-CD 2.97Å; C63-R118 WeakPolarHBondContact O-CA 3.41Å; Y64-R118 HydrophobicContact CD1-CB 4.39Å; Y64-R118 HydrophobicContact CE1-CB 4.36Å
119	V	81.1	Confident	69.5	Low	14 Å²	14	58.2 Å²	58.2	9%	0.085	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.3	175.9	-63.9	0	0	0	0	111.1	H62 C63 L65 L75 W150	H62-V119 VanDerWaalsContact CA-O 3.32Å; H62-V119 WeakPolarHBondContact CA-O 3.41Å; H62-V119 WeakPolarHBondContact CB-O 3.32Å; C63-V119 HydrophobicContact CB-CG2 4.13Å; C63-V119 PolarHBondContact N-O 3.08Å; C63-V119 WeakPolarHBondContact O-CG2 3.49Å; C63-V119 PolarHBondContact O-N 2.87Å; L65-V119 HydrophobicContact CD1-CG1 3.97Å; L65-V119 HydrophobicContact CD2-CG1 3.87Å; L65-V119 HydrophobicContact CD2-CG2 4.3Å; L65-V119 HydrophobicContact CG-CG1 3.92Å; L75-V119 HydrophobicContact CD1-CG1 4.22Å; L75-V119 HydrophobicContact CD2-CG1 4.43Å; V119-W150 HydrophobicContact CG2-CH2 3.6Å; V119-W150 HydrophobicContact CG2-CZ2 3.61Å
120	R	82.5	Confident	71.9	Confident	139 Å²	139	59 Å²	59	53%	0.525	31%	0.313	S	S	.	.			trans	-66.3	163.3	-176.7	-70.9	-173.1	176.8	-159.8	-1.4	111.4	E36 S123 S145	E36-R120 IonicContact OE1-CZ 3.76Å; E36-R120 IonicContact OE1-NH1 2.89Å; E36-R120 PolarHBondContact OE1-NH1 3.28Å; E36-R120 IonicContact OE1-NH2 2.76Å; R120-S123 WeakPolarHBondContact O-CB 3.36Å; R120-S123 PolarHBondContact O-N 3.26Å; R120-S123 PolarHBondContact O-OG 2.64Å; R120-S123 VanDerWaalsContact O-OG 3.08Å; R120-S145 WeakPolarHBondContact O-CB 3.47Å; R120-S145 PolarHBondContact O-OG 3.11Å
121	H	83.9	Confident	74	Confident	67 Å²	67	60.6 Å²	60.6	31%	0.31	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	140.5	166.6	-177.7	101.5	0	0	0	110.3	Y60 S123 S145 N147	Y60-H121 AromaticContact CD1-CE1 3.77Å; Y60-H121 AromaticContact CD1-ND1 3.59Å; Y60-H121 HydrophobicContact CD2-CB 4.08Å; Y60-H121 AromaticContact CD2-CD2 3.94Å; Y60-H121 AromaticContact CD2-CG 3.73Å; Y60-H121 AromaticContact CD2-ND1 3.92Å; Y60-H121 AromaticContact CE1-CE1 3.91Å; Y60-H121 HydrophobicContact CG-CB 4Å; Y60-H121 AromaticContact CG-CE1 3.94Å; Y60-H121 AromaticContact CG-CG 3.65Å; Y60-H121 AromaticContact CG-ND1 3.44Å; H121-S123 VanDerWaalsContact C-N 3.27Å; H121-S123 PolarHBondContact O-N 2.75Å; H121-S145 WeakPolarHBondContact CA-OG 3.42Å; H121-N147 PolarHBondContact ND1-N 3.17Å
122	G	84.3	Confident	75.9	Confident	40 Å²	40	56.8 Å²	56.8	41%	0.412	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-6.7	-179.6	0	0	0	0	0	114.9	S145	G122-S145 PolarHBondContact N-O 3.32Å
123	S	83.7	Confident	77.6	Confident	27 Å²	27	56.9 Å²	56.9	19%	0.189	32%	0.319	C	S	.	.			trans	-60.4	139	171.9	-64.1	0	0	0	0	111.5	R120 H121 I144 S145	R120-S123 WeakPolarHBondContact O-CB 3.36Å; R120-S123 PolarHBondContact O-N 3.26Å; R120-S123 PolarHBondContact O-OG 2.64Å; R120-S123 VanDerWaalsContact O-OG 3.08Å; H121-S123 VanDerWaalsContact C-N 3.27Å; H121-S123 PolarHBondContact O-N 2.75Å; S123-I144 WeakPolarHBondContact O-CA 3.48Å; S123-S145 WeakPolarHBondContact O-CB 3.25Å; S123-S145 PolarHBondContact O-N 3.31Å
124	E	87	Confident	78.6	Confident	46 Å²	46	57.1 Å²	57.1	22%	0.215	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.8	-178.5	-67	179.9	-177.8	0	0	109.9	L75 I76 K84 I142 T143 I144	L75-E124 WeakPolarHBondContact CD1-O 3.38Å; I76-E124 HydrophobicContact CB-CB 3.91Å; I76-E124 HydrophobicContact CD1-CB 4.13Å; I76-E124 HydrophobicContact CG2-CB 4.46Å; I76-E124 PolarHBondContact N-O 3.34Å; K84-E124 IonicContact NZ-OE2 3.93Å; K84-E124 PolarHBondContact NZ-OE2 3.16Å; E124-I142 HydrophobicContact CB-CG2 4.24Å; E124-I142 HydrophobicContact CG-CG2 4.45Å; E124-T143 CarbonylContact C-O 3.54Å; E124-T143 WeakPolarHBondContact CA-O 3.22Å; E124-I144 HydrophobicContact CG-CG1 4.23Å
125	L	84.7	Confident	79.4	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.5	168.7	-56.4	176.8	0	0	0	110.2	L65 F66 V73 Y74 L75 I142 T143 W150	L65-L125 HydrophobicContact CD2-CD1 3.86Å; L65-L125 HydrophobicContact CD2-CD2 3.55Å; L65-L125 HydrophobicContact CD2-CG 4.29Å; F66-L125 HydrophobicContact CD1-CD1 4.22Å; F66-L125 HydrophobicContact CE1-CD1 3.59Å; F66-L125 HydrophobicContact CZ-CD1 4.05Å; V73-L125 HydrophobicContact CG1-CB 4.14Å; V73-L125 HydrophobicContact CG1-CD1 3.88Å; V73-L125 HydrophobicContact CG1-CD2 4.33Å; V73-L125 HydrophobicContact CG1-CG 4.34Å; Y74-L125 CarbonylContact O-C 3.5Å; Y74-L125 VanDerWaalsContact O-CA 3.25Å; Y74-L125 WeakPolarHBondContact O-CA 3.2Å; L75-L125 HydrophobicContact CB-CD2 3.94Å; L75-L125 HydrophobicContact CD1-CD2 3.57Å; L75-L125 HydrophobicContact CG-CD2 4.37Å; L125-I142 CarbonylContact O-C 3.43Å; L125-I142 VanDerWaalsContact O-CA 3.23Å; L125-I142 WeakPolarHBondContact O-CA 3.44Å; L125-T143 HydrophobicContact CB-CG2 3.76Å; L125-T143 HydrophobicContact CD1-CG2 4.23Å; L125-T143 HydrophobicContact CG-CG2 4.35Å; L125-T143 PolarHBondContact N-O 2.92Å; L125-T143 PolarHBondContact O-N 3.13Å; L125-W150 HydrophobicContact CB-CZ3 4.37Å; L125-W150 HydrophobicContact CD1-CD2 4.21Å; L125-W150 HydrophobicContact CD1-CE3 4.13Å; L125-W150 HydrophobicContact CD1-CH2 3.31Å; L125-W150 HydrophobicContact CD1-CZ2 3.38Å; L125-W150 HydrophobicContact CD1-CZ3 3.7Å; L125-W150 HydrophobicContact CD2-CH2 4.05Å; L125-W150 HydrophobicContact CG-CE3 4.36Å; L125-W150 HydrophobicContact CG-CH2 3.34Å; L125-W150 HydrophobicContact CG-CZ2 3.97Å; L125-W150 HydrophobicContact CG-CZ3 3.56Å
126	N	82.8	Confident	79.5	Confident	39 Å²	39	58.3 Å²	58.3	21%	0.209	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126	167	-168.6	19.2	0	0	0	109.7	Y74 I76	Y74-N126 PolarHBondContact N-O 3.4Å; Y74-N126 PolarHBondContact O-N 2.82Å; I76-N126 HydrophobicContact CD1-CB 3.92Å; I76-N126 HydrophobicContact CG1-CB 4.18Å
127	V	80.2	Confident	79.2	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.012	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.6	174.5	-176.7	0	0	0	0	109	F66 V68 D72 V73 Y129 P141	F66-V127 HydrophobicContact CE2-CG2 4.28Å; F66-V127 HydrophobicContact CZ-CG2 4.33Å; V68-V127 HydrophobicContact CB-CG1 4.21Å; V68-V127 HydrophobicContact CG1-CG1 4.28Å; V68-V127 HydrophobicContact CG2-CG1 3.83Å; V68-V127 HydrophobicContact CG2-CG2 4.43Å; D72-V127 WeakPolarHBondContact O-CA 3.45Å; V73-V127 HydrophobicContact CG2-CG2 4.32Å; V127-Y129 HydrophobicContact CG1-CE1 4.4Å; V127-Y129 HydrophobicContact CG1-CE2 4.34Å; V127-Y129 WeakPolarHBondContact O-CE2 3.31Å; V127-P141 PolarHBondContact N-O 2.68Å
128	T	79.7	Confident	78.1	Confident	42 Å²	42	67.3 Å²	67.3	26%	0.258	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	163.9	171.4	68	0	0	0	0	110.3	G71 D72 Y74	G71-T128 CarbonylContact C-O 3.52Å; G71-T128 WeakPolarHBondContact CA-O 3.47Å; D72-T128 WeakPolarHBondContact CB-OG1 3.34Å; D72-T128 PolarHBondContact N-O 2.99Å; D72-T128 PolarHBondContact O-N 3.36Å; D72-T128 PolarHBondContact O-OG1 3.35Å; Y74-T128 HydrophobicContact CD2-CG2 4.04Å; Y74-T128 HydrophobicContact CE2-CG2 3.67Å; Y74-T128 WeakPolarHBondContact CE2-OG1 3.46Å
129	Y	80.2	Confident	76.9	Confident	47 Å²	47	67.6 Å²	67.6	18%	0.184	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.8	-171.4	-54.5	-97.4	0	0	0	107.7	V127 V135 S154 C156	V127-Y129 HydrophobicContact CG1-CE1 4.4Å; V127-Y129 HydrophobicContact CG1-CE2 4.34Å; V127-Y129 WeakPolarHBondContact O-CE2 3.31Å; Y129-V135 HydrophobicContact CD1-CG2 4.46Å; Y129-V135 HydrophobicContact CD2-CG2 3.8Å; Y129-V135 HydrophobicContact CE1-CB 4.22Å; Y129-V135 HydrophobicContact CE1-CG1 4.37Å; Y129-V135 HydrophobicContact CE1-CG2 3.91Å; Y129-V135 HydrophobicContact CE2-CB 4.27Å; Y129-V135 HydrophobicContact CE2-CG2 3.17Å; Y129-V135 HydrophobicContact CG-CG2 4.46Å; Y129-V135 VanDerWaalsContact OH-CG1 3.3Å; Y129-V135 WeakPolarHBondContact OH-CG1 3.06Å; Y129-V135 WeakPolarHBondContact OH-CG2 3.41Å; Y129-S154 WeakPolarHBondContact OH-CB 3.33Å; Y129-C156 HydrophobicContact CD1-CB 3.85Å; Y129-C156 WeakPolarHBondContact CD1-SG 3.35Å; Y129-C156 HydrophobicContact CE1-CB 4.28Å; Y129-C156 WeakPolarHBondContact CE1-SG 3.12Å
130	Q	82.9	Confident	75.8	Confident	95 Å²	95	72.8 Å²	72.8	44%	0.444	40%	0.398	S	S	.	.			trans	-64.2	157.1	173.4	-69.6	178.6	-2.6	0	0	110.4	Y70 G132 Y133	Y70-Q130 WeakPolarHBondContact O-CB 3.43Å; Y70-Q130 WeakPolarHBondContact O-CG 3.36Å; Y70-Q130 PolarHBondContact O-N 3.03Å; Q130-G132 PolarHBondContact O-N 2.87Å; Q130-Y133 HydrophobicContact CB-CD2 4.36Å; Q130-Y133 PolarHBondContact O-N 2.87Å
131	V	78.6	Confident	75.3	Confident	152 Å²	152	68.6 Å²	68.6	92%	0.921	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	129.7	177.8	-179.7	0	0	0	0	109.6
132	G	81.6	Confident	75.3	Confident	51 Å²	51	68.5 Å²	68.5	53%	0.526	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	1.8	-175.8	0	0	0	0	0	114.8	Q130 G159	Q130-G132 PolarHBondContact O-N 2.87Å; G132-G159 PolarHBondContact O-N 2.82Å
133	Y	82.6	Confident	75.4	Confident	68 Å²	68	66.6 Å²	66.6	27%	0.267	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	153.7	173.1	-66.6	-95.6	0	0	0	111.8	Y70 Q130 C156 I157 P158	Y70-Y133 HydrophobicContact CD1-CE1 4.21Å; Y70-Y133 AromaticContact CD1-CE2 3.79Å; Y70-Y133 HydrophobicContact CD1-CE2 3.79Å; Y70-Y133 AromaticContact CD1-CZ 3.56Å; Y70-Y133 WeakPolarHBondContact CD1-OH 3.28Å; Y70-Y133 HydrophobicContact CD2-CD1 4.05Å; Y70-Y133 AromaticContact CD2-CE1 3.4Å; Y70-Y133 HydrophobicContact CD2-CE1 3.4Å; Y70-Y133 VanDerWaalsContact CD2-CE1 3.4Å; Y70-Y133 HydrophobicContact CD2-CE2 4.43Å; Y70-Y133 AromaticContact CD2-CZ 3.64Å; Y70-Y133 AromaticContact CE1-CZ 4Å; Y70-Y133 WeakPolarHBondContact CE1-OH 3.49Å; Y70-Y133 AromaticContact CE2-CE1 3.96Å; Y70-Y133 HydrophobicContact CE2-CE1 3.96Å; Y70-Y133 HydrophobicContact CG-CD1 4.05Å; Y70-Y133 HydrophobicContact CG-CD2 4.23Å; Y70-Y133 AromaticContact CG-CE1 3.53Å; Y70-Y133 HydrophobicContact CG-CE1 3.53Å; Y70-Y133 AromaticContact CG-CE2 3.73Å; Y70-Y133 HydrophobicContact CG-CE2 3.73Å; Y70-Y133 HydrophobicContact CG-CG 4.38Å; Y70-Y133 AromaticContact CG-CZ 3.35Å; Q130-Y133 HydrophobicContact CB-CD2 4.36Å; Q130-Y133 PolarHBondContact O-N 2.87Å; Y133-C156 HydrophobicContact CD1-CB 4.12Å; Y133-C156 HydrophobicContact CG-CB 4.42Å; Y133-I157 CarbonylContact C-O 3.49Å; Y133-I157 VanDerWaalsContact CA-O 3.27Å; Y133-I157 WeakPolarHBondContact CA-O 3.45Å; Y133-P158 HydrophobicContact CE1-CG 4.16Å
134	A	74.9	Confident	75.6	Confident	42 Å²	42	67.7 Å²	67.7	35%	0.347	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	165.9	-180	0	0	0	0	0	112.1	I157	A134-I157 PolarHBondContact N-O 3.43Å; A134-I157 VanDerWaalsContact O-CG1 3.32Å; A134-I157 WeakPolarHBondContact O-CG1 3.16Å; A134-I157 PolarHBondContact O-N 2.8Å
135	V	70.5	Confident	75.6	Confident	37 Å²	37	65.5 Å²	65.5	22%	0.224	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	134.4	176.4	-159.5	0	0	0	0	109.5	Y129 K137	Y129-V135 HydrophobicContact CD1-CG2 4.46Å; Y129-V135 HydrophobicContact CD2-CG2 3.8Å; Y129-V135 HydrophobicContact CE1-CB 4.22Å; Y129-V135 HydrophobicContact CE1-CG1 4.37Å; Y129-V135 HydrophobicContact CE1-CG2 3.91Å; Y129-V135 HydrophobicContact CE2-CB 4.27Å; Y129-V135 HydrophobicContact CE2-CG2 3.17Å; Y129-V135 HydrophobicContact CG-CG2 4.46Å; Y129-V135 VanDerWaalsContact OH-CG1 3.3Å; Y129-V135 WeakPolarHBondContact OH-CG1 3.06Å; Y129-V135 WeakPolarHBondContact OH-CG2 3.41Å; V135-K137 WeakPolarHBondContact CG1-O 3.18Å; V135-K137 PolarHBondContact O-N 2.97Å; V135-K137 VanDerWaalsContact O-N 3.14Å
136	N	66.5	Low	75.8	Confident	111 Å²	111	73 Å²	73	59%	0.594	39%	0.391	S	S	*	.	S	Bend	trans	-62.1	-17.9	170.2	-166.8	20	0	0	0	113.3	I157	N136-I157 HydrophobicContact CB-CD1 4.3Å; N136-I157 HydrophobicContact CB-CG2 4.46Å
137	K	59.1	Low	76.1	Confident	162 Å²	162	74.7 Å²	74.7	70%	0.704	40%	0.401	S	S	*	.	S	Bend	trans	-136.3	97.6	174.6	-71.4	-169.6	176	-176.1	0	109.9	V135 N139	V135-K137 WeakPolarHBondContact CG1-O 3.18Å; V135-K137 PolarHBondContact O-N 2.97Å; V135-K137 VanDerWaalsContact O-N 3.14Å; K137-N139 PolarHBondContact O-N 3.05Å
138	S	53	Low	76.5	Confident	99 Å²	99	76.1 Å²	76.1	69%	0.692	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-6.8	-166.7	65.2	0	0	0	0	117.5
139	N	55	Low	77	Confident	139 Å²	139	78.7 Å²	78.7	74%	0.743	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-8	-164.9	-73.6	9.9	0	0	0	115.8	K137	K137-N139 PolarHBondContact O-N 3.05Å
140	Q	58.9	Low	77.3	Confident	124 Å²	124	77.6 Å²	77.6	58%	0.579	43%	0.426	S	S	*	.			trans	-146.6	85.1	-178	-67	-175.5	-8.8	0	0	111.5	I142	Q140-I142 PolarHBondContact O-N 3.18Å
141	P	70.8	Confident	77.5	Confident	51 Å²	51	75.4 Å²	75.4	33%	0.331	42%	0.422	S	S	.	.			trans	-70.9	-13.8	171.6	30.7	-34.2	0	0	0	112.2	V127	V127-P141 PolarHBondContact N-O 2.68Å
142	I	83.6	Confident	77.7	Confident	65 Å²	65	69.9 Å²	69.9	33%	0.333	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	126.6	178.6	-60.4	171.2	0	0	0	109.9	I76 E124 L125 Q140 I144	I76-I142 HydrophobicContact CD1-CD1 4.24Å; I76-I142 HydrophobicContact CD1-CG1 4.21Å; I76-I142 HydrophobicContact CD1-CG2 4.47Å; E124-I142 HydrophobicContact CB-CG2 4.24Å; E124-I142 HydrophobicContact CG-CG2 4.45Å; L125-I142 CarbonylContact O-C 3.43Å; L125-I142 VanDerWaalsContact O-CA 3.23Å; L125-I142 WeakPolarHBondContact O-CA 3.44Å; Q140-I142 PolarHBondContact O-N 3.18Å; I142-I144 HydrophobicContact CG2-CG1 4.36Å
143	T	86.2	Confident	77.3	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	145	169.7	-170.3	0	0	0	0	110.4	F66 E124 L125 W150 S151 V152	F66-T143 HydrophobicContact CE1-CG2 4.17Å; F66-T143 HydrophobicContact CZ-CG2 3.92Å; E124-T143 CarbonylContact C-O 3.54Å; E124-T143 WeakPolarHBondContact CA-O 3.22Å; L125-T143 HydrophobicContact CB-CG2 3.76Å; L125-T143 HydrophobicContact CD1-CG2 4.23Å; L125-T143 HydrophobicContact CG-CG2 4.35Å; L125-T143 PolarHBondContact N-O 2.92Å; L125-T143 PolarHBondContact O-N 3.13Å; T143-W150 HydrophobicContact CG2-CD2 4.18Å; T143-W150 HydrophobicContact CG2-CE3 3.6Å; T143-W150 HydrophobicContact CG2-CZ3 4.16Å; T143-S151 PolarHBondContact OG1-N 2.95Å; T143-S151 PolarHBondContact OG1-OG 2.81Å; T143-V152 WeakPolarHBondContact CB-O 3.39Å; T143-V152 PolarHBondContact OG1-N 2.89Å; T143-V152 PolarHBondContact OG1-O 2.79Å
144	I	88.1	Confident	76.8	Confident	50 Å²	50	75.6 Å²	75.6	26%	0.256	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134.5	-173.4	-48.9	-178.3	0	0	0	108.8	S123 E124 I142 R146 S151	S123-I144 WeakPolarHBondContact O-CA 3.48Å; E124-I144 HydrophobicContact CG-CG1 4.23Å; I142-I144 HydrophobicContact CG2-CG1 4.36Å; I144-R146 PolarHBondContact O-N 3.05Å; I144-S151 PolarHBondContact N-OG 3.47Å; I144-S151 PolarHBondContact O-N 2.98Å
145	S	87.9	Confident	76.8	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	112.1	174.7	168.3	0	0	0	0	110.1	C63 R120 H121 G122 S123 W150	C63-S145 WeakPolarHBondContact CB-OG 3.42Å; C63-S145 VanDerWaalsContact SG-CA 3.56Å; C63-S145 VanDerWaalsContact SG-CB 3.54Å; C63-S145 PolarHBondContact SG-OG 2.8Å; R120-S145 WeakPolarHBondContact O-CB 3.47Å; R120-S145 PolarHBondContact O-OG 3.11Å; H121-S145 WeakPolarHBondContact CA-OG 3.42Å; G122-S145 PolarHBondContact N-O 3.32Å; S123-S145 WeakPolarHBondContact O-CB 3.25Å; S123-S145 PolarHBondContact O-N 3.31Å; S145-W150 VanDerWaalsContact N-CZ3 3.31Å
146	R	89.8	Confident	77.1	Confident	156 Å²	156	79 Å²	79	59%	0.589	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.5	93.2	179.3	-69.2	-170.6	-179.8	-172.3	0.3	110.5	I144 G148 V149	I144-R146 PolarHBondContact O-N 3.05Å; R146-G148 PolarHBondContact O-N 2.95Å; R146-V149 CarbonylContact C-O 3.5Å; R146-V149 WeakPolarHBondContact CA-O 3.42Å; R146-V149 PolarHBondContact N-O 3.24Å; R146-V149 PolarHBondContact O-N 3.1Å; R146-V149 VanDerWaalsContact O-N 3.12Å
147	N	89.1	Confident	77.8	Confident	76 Å²	76	76.6 Å²	76.6	41%	0.406	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	56	173.5	-166.9	29.1	0	0	0	112.9	Y60 K61 H121 V149	Y60-N147 WeakPolarHBondContact CA-OD1 3.45Å; Y60-N147 HydrophobicContact CD1-CB 4.15Å; K61-N147 PolarHBondContact N-OD1 2.93Å; H121-N147 PolarHBondContact ND1-N 3.17Å; N147-V149 VanDerWaalsContact C-N 3.33Å; N147-V149 PolarHBondContact O-N 2.83Å
148	G	87.6	Confident	78.9	Confident	31 Å²	31	73.1 Å²	73.1	32%	0.32	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	-3.7	179.6	0	0	0	0	0	115.7	K61 H62 R146	K61-G148 PolarHBondContact O-N 2.96Å; H62-G148 WeakPolarHBondContact O-CA 3.38Å; R146-G148 PolarHBondContact O-N 2.95Å
149	V	90.2	Very high	79.9	Confident	97 Å²	97	70 Å²	70	59%	0.588	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.6	179.2	-171.4	0	0	0	0	111.1	C63 R146 N147	C63-V149 PolarHBondContact SG-N 3.23Å; C63-V149 VanDerWaalsContact SG-N 3.35Å; R146-V149 CarbonylContact C-O 3.5Å; R146-V149 WeakPolarHBondContact CA-O 3.42Å; R146-V149 PolarHBondContact N-O 3.24Å; R146-V149 PolarHBondContact O-N 3.1Å; R146-V149 VanDerWaalsContact O-N 3.12Å; N147-V149 VanDerWaalsContact C-N 3.33Å; N147-V149 PolarHBondContact O-N 2.83Å
150	W	87	Confident	80.7	Confident	24 Å²	24	72.4 Å²	72.4	9%	0.091	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	130.7	171.7	-70.3	109.6	0	0	0	111.3	C63 Y64 L65 F66 V119 L125 T143 S145 V152	C63-W150 HydrophobicContact CB-CD2 4.19Å; C63-W150 HydrophobicContact CB-CH2 4.18Å; C63-W150 HydrophobicContact CB-CZ2 3.51Å; Y64-W150 PolarHBondContact O-NE1 3.3Å; L65-W150 HydrophobicContact CD2-CZ2 4.32Å; F66-W150 AromaticContact CD1-CD1 3.58Å; F66-W150 HydrophobicContact CD1-CD2 4.45Å; F66-W150 HydrophobicContact CD1-CG 4.2Å; F66-W150 AromaticContact CD1-NE1 3.46Å; F66-W150 HydrophobicContact CE1-CB 4.43Å; F66-W150 AromaticContact CE1-CD1 3.55Å; F66-W150 AromaticContact CE1-CD2 3.83Å; F66-W150 HydrophobicContact CE1-CD2 3.83Å; F66-W150 AromaticContact CE1-CE2 3.82Å; F66-W150 AromaticContact CE1-CG 3.69Å; F66-W150 HydrophobicContact CE1-CG 3.69Å; F66-W150 AromaticContact CE1-NE1 3.61Å; V119-W150 HydrophobicContact CG2-CH2 3.6Å; V119-W150 HydrophobicContact CG2-CZ2 3.61Å; L125-W150 HydrophobicContact CB-CZ3 4.37Å; L125-W150 HydrophobicContact CD1-CD2 4.21Å; L125-W150 HydrophobicContact CD1-CE3 4.13Å; L125-W150 HydrophobicContact CD1-CH2 3.31Å; L125-W150 HydrophobicContact CD1-CZ2 3.38Å; L125-W150 HydrophobicContact CD1-CZ3 3.7Å; L125-W150 HydrophobicContact CD2-CH2 4.05Å; L125-W150 HydrophobicContact CG-CE3 4.36Å; L125-W150 HydrophobicContact CG-CH2 3.34Å; L125-W150 HydrophobicContact CG-CZ2 3.97Å; L125-W150 HydrophobicContact CG-CZ3 3.56Å; T143-W150 HydrophobicContact CG2-CD2 4.18Å; T143-W150 HydrophobicContact CG2-CE3 3.6Å; T143-W150 HydrophobicContact CG2-CZ3 4.16Å; S145-W150 VanDerWaalsContact N-CZ3 3.31Å; W150-V152 PolarHBondContact O-N 2.94Å
151	S	87.2	Confident	81	Confident	49 Å²	49	72.3 Å²	72.3	34%	0.343	39%	0.385	S	S	.	.	S	Bend	trans	-59.1	-34.8	-176.5	63.5	0	0	0	0	113.5	T143 I144	T143-S151 PolarHBondContact OG1-N 2.95Å; T143-S151 PolarHBondContact OG1-OG 2.81Å; I144-S151 PolarHBondContact N-OG 3.47Å; I144-S151 PolarHBondContact O-N 2.98Å
152	V	82.5	Confident	80.6	Confident	36 Å²	36	80 Å²	80	22%	0.218	41%	0.408	C	S	.	.			trans	-134.4	131.5	175.1	-176.2	0	0	0	0	108.7	T143 W150	T143-V152 WeakPolarHBondContact CB-O 3.39Å; T143-V152 PolarHBondContact OG1-N 2.89Å; T143-V152 PolarHBondContact OG1-O 2.79Å; W150-V152 PolarHBondContact O-N 2.94Å
153	R	72.5	Confident	79.1	Confident	224 Å²	224	86.3 Å²	86.3	85%	0.845	44%	0.436	S	S	*	.			trans	-93.5	107.3	165.9	-80.1	-168.3	178.8	-167.6	0.2	109
154	S	72.7	Confident	77.4	Confident	15 Å²	15	98.3 Å²	98.3	11%	0.105	49%	0.489	C	S	.	.			trans	-73.7	136	175.7	-58.3	0	0	0	0	110.4	Y129	Y129-S154 WeakPolarHBondContact OH-CB 3.33Å
155	K	74.9	Confident	76.9	Confident	141 Å²	141	100.8 Å²	100.8	61%	0.613	50%	0.5	S	S	*	.			trans	-131.7	130.4	170	-173.6	177.8	-178.5	-179.9	0	108.4
156	C	75.6	Confident	76.3	Confident	10 Å²	10	106.1 Å²	106.1	7%	0.068	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.4	170.3	-57	0	0	0	0	109.1	V68 E69 Y70 Y129 Y133	V68-C156 HydrophobicContact CG1-CB 4.44Å; V68-C156 WeakPolarHBondContact CG1-SG 3.44Å; E69-C156 WeakPolarHBondContact O-CB 3.37Å; E69-C156 PolarHBondContact O-SG 2.83Å; Y70-C156 PolarHBondContact O-SG 2.92Å; Y129-C156 HydrophobicContact CD1-CB 3.85Å; Y129-C156 WeakPolarHBondContact CD1-SG 3.35Å; Y129-C156 HydrophobicContact CE1-CB 4.28Å; Y129-C156 WeakPolarHBondContact CE1-SG 3.12Å; Y133-C156 HydrophobicContact CD1-CB 4.12Å; Y133-C156 HydrophobicContact CG-CB 4.42Å
157	I	82.2	Confident	75.5	Confident	59 Å²	59	103.3 Å²	103.3	30%	0.303	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	148.8	169.3	56.1	168.6	0	0	0	108.8	Y133 A134 N136 G159	Y133-I157 CarbonylContact C-O 3.49Å; Y133-I157 VanDerWaalsContact CA-O 3.27Å; Y133-I157 WeakPolarHBondContact CA-O 3.45Å; A134-I157 PolarHBondContact N-O 3.43Å; A134-I157 VanDerWaalsContact O-CG1 3.32Å; A134-I157 WeakPolarHBondContact O-CG1 3.16Å; A134-I157 PolarHBondContact O-N 2.8Å; N136-I157 HydrophobicContact CB-CD1 4.3Å; N136-I157 HydrophobicContact CB-CG2 4.46Å; I157-G159 PolarHBondContact O-N 3.29Å
158	P	81.5	Confident	74.7	Confident	90 Å²	90	104.9 Å²	104.9	58%	0.584	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52	129.1	173.9	-26.1	34.6	0	0	0	110.5	Y133 M160	Y133-P158 HydrophobicContact CE1-CG 4.16Å; P158-M160 PolarHBondContact O-N 3.09Å
159	G	75	Confident	73.9	Confident	34 Å²	34	109.5 Å²	109.5	35%	0.351	54%	0.543	S	S	.	.			trans	-64.2	117.3	177.5	0	0	0	0	0	109.2	G132 I157 C161	G132-G159 PolarHBondContact O-N 2.82Å; I157-G159 PolarHBondContact O-N 3.29Å; G159-C161 PolarHBondContact O-N 3.37Å
160	M	71	Confident	72.9	Confident	188 Å²	188	110.3 Å²	110.3	93%	0.926	54%	0.54	S	S	*	.			trans	-82.3	110.8	174.2	-60.3	-168.2	110.5	0	0	108.5	P158 R162	P158-M160 PolarHBondContact O-N 3.09Å; M160-R162 PolarHBondContact O-N 3.3Å
161	C	65.8	Low	71.8	Confident	122 Å²	122	116.5 Å²	116.5	82%	0.824	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-63.8	131.6	164.4	-66.5	0	0	0	0	108.3	G159 Q163	G159-C161 PolarHBondContact O-N 3.37Å; C161-Q163 PolarHBondContact O-N 3.38Å; C161-Q163 VanDerWaalsContact O-N 3.14Å
162	R	61.4	Low	70.7	Confident	213 Å²	213	121.7 Å²	121.7	80%	0.804	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-62.6	117.3	162	-90	-177.2	174.1	166.3	-1.7	106.8	M160 F164	M160-R162 PolarHBondContact O-N 3.3Å; R162-F164 HydrophobicContact CB-CD2 4.35Å; R162-F164 HydrophobicContact CB-CE2 4.04Å; R162-F164 HydrophobicContact CB-CZ 4.47Å; R162-F164 WeakPolarHBondContact O-CD2 3.44Å; R162-F164 PolarHBondContact O-N 3.42Å
163	Q	52.7	Low	69.7	Low	197 Å²	197	128.8 Å²	128.8	92%	0.921	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-61.9	116.5	161.1	-84.3	177.8	-26.3	0	0	106.5	C161	C161-Q163 PolarHBondContact O-N 3.38Å; C161-Q163 VanDerWaalsContact O-N 3.14Å
164	F	51	Low	69.4	Low	253 Å²	253	120.2 Å²	120.2	100%	1.11	60%	0.601	S	S	*	*			trans	-92.9	0	169.5	-77.1	-83.3	0	0	0	109.1	R162	R162-F164 HydrophobicContact CB-CD2 4.35Å; R162-F164 HydrophobicContact CB-CE2 4.04Å; R162-F164 HydrophobicContact CB-CZ 4.47Å; R162-F164 WeakPolarHBondContact O-CD2 3.44Å; R162-F164 PolarHBondContact O-N 3.42Å

Retrieved 164 of 164 residues in 181.1 ms (Link to these results)

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