A0A5K4FED9_SCHMA Loading...

PA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FED9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 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	51	Low	48.6	Very low	233 Å²	233	151 Å²	151	100%	1.148	77%	0.77	S	S	*	*				0	52.4	0	-167.8	-179.2	96	0	0	107.8
2	L	42.3	Very low	48.6	Very low	153 Å²	153	149.3 Å²	149.3	80%	0.801	76%	0.762	S	S	*	*				56	97.3	59.3	-112.6	106.6	0	0	0	115.2
3	L	43.4	Very low	47.5	Very low	141 Å²	141	149.5 Å²	149.5	74%	0.738	77%	0.766	S	S	*	*			trans	71.7	155.4	137.5	-97.5	96.2	0	0	0	120.1
4	L	51.1	Low	47.1	Very low	141 Å²	141	148.4 Å²	148.4	74%	0.738	76%	0.76	S	S	*	*			trans	90.6	121.6	165.4	-61.4	112.6	0	0	0	114.2
5	L	52.8	Low	46.4	Very low	134 Å²	134	145.3 Å²	145.3	70%	0.702	76%	0.757	S	S	*	*			cis	-170.6	135.6	9.3	-109	159.8	0	0	0	106.8	L7	L5-L7 PolarHBondContact O-N 3.4Å; L5-L7 VanDerWaalsContact O-N 3.08Å
6	E	48.9	Very low	45.6	Very low	171 Å²	171	144.9 Å²	144.9	80%	0.799	76%	0.756	S	S	*	*			trans	-39.9	107.2	158.5	-71.2	-78.5	146.9	0	0	111.1	V8	E6-V8 VanDerWaalsContact C-N 3.25Å; E6-V8 PolarHBondContact O-N 2.53Å; E6-V8 VanDerWaalsContact O-N 3.09Å
7	L	50.1	Low	45	Very low	134 Å²	134	140.5 Å²	140.5	70%	0.702	76%	0.755	S	S	*	*			trans	-86	79.1	171.8	-141	-68.8	0	0	0	107.5	L5 F9	L5-L7 PolarHBondContact O-N 3.4Å; L5-L7 VanDerWaalsContact O-N 3.08Å; L7-F9 VanDerWaalsContact C-N 3.32Å; L7-F9 HydrophobicContact CD1-CD2 3.94Å; L7-F9 HydrophobicContact CD1-CE2 4.04Å; L7-F9 PolarHBondContact O-N 3.45Å
8	V	53.8	Low	44.9	Very low	105 Å²	105	142.2 Å²	142.2	64%	0.636	76%	0.757	S	S	*	*			trans	-55.8	99.4	162.5	173.7	0	0	0	0	106.8	E6 L10	E6-V8 VanDerWaalsContact C-N 3.25Å; E6-V8 PolarHBondContact O-N 2.53Å; E6-V8 VanDerWaalsContact O-N 3.09Å; V8-L10 HydrophobicContact CG1-CD1 4.31Å; V8-L10 PolarHBondContact O-N 3.43Å
9	F	51.7	Low	45.5	Very low	167 Å²	167	137 Å²	137	73%	0.732	73%	0.733	S	S	*	*			trans	-66.8	86.2	167.8	-104.6	-92.5	0	0	0	107.9	L7 L11	L7-F9 VanDerWaalsContact C-N 3.32Å; L7-F9 HydrophobicContact CD1-CD2 3.94Å; L7-F9 HydrophobicContact CD1-CE2 4.04Å; L7-F9 PolarHBondContact O-N 3.45Å; F9-L11 VanDerWaalsContact C-N 3.26Å; F9-L11 PolarHBondContact O-N 2.75Å
10	L	45.2	Very low	47.2	Very low	139 Å²	139	137 Å²	137	73%	0.728	73%	0.733	S	S	*	*			trans	-66.3	91.3	163	-139.2	103.9	0	0	0	106.6	V8 I12	V8-L10 HydrophobicContact CG1-CD1 4.31Å; V8-L10 PolarHBondContact O-N 3.43Å; L10-I12 VanDerWaalsContact C-N 3.27Å; L10-I12 HydrophobicContact CD2-CG1 4.34Å; L10-I12 PolarHBondContact O-N 2.98Å
11	L	44.9	Very low	49.2	Very low	143 Å²	143	134.6 Å²	134.6	75%	0.749	71%	0.714	S	S	*	*			trans	-68.6	93.5	167.1	-72.1	173.8	0	0	0	107.5	F9 N13	F9-L11 VanDerWaalsContact C-N 3.26Å; F9-L11 PolarHBondContact O-N 2.75Å; L11-N13 PolarHBondContact O-N 3.28Å
12	I	48	Very low	51.2	Low	130 Å²	130	124.7 Å²	124.7	67%	0.667	67%	0.666	S	S	*	*			trans	-62.1	102.4	162.6	-61.2	172.3	0	0	0	105.8	L10 I14	L10-I12 VanDerWaalsContact C-N 3.27Å; L10-I12 HydrophobicContact CD2-CG1 4.34Å; L10-I12 PolarHBondContact O-N 2.98Å; I12-I14 HydrophobicContact CG2-CG1 3.8Å; I12-I14 PolarHBondContact O-N 3.19Å
13	N	35	Very low	53.6	Low	153 Å²	153	119 Å²	119	82%	0.818	64%	0.635	S	S	*	*			trans	-63.4	88.1	163	-84.5	-40.8	0	0	0	107.7	L11 S15	L11-N13 PolarHBondContact O-N 3.28Å; N13-S15 PolarHBondContact O-N 2.87Å
14	I	41	Very low	56.1	Low	133 Å²	133	112.3 Å²	112.3	68%	0.682	60%	0.6	S	S	*	*			trans	-72.2	84.4	157.5	-55.3	178.5	0	0	0	104.9	I12 N16	I12-I14 HydrophobicContact CG2-CG1 3.8Å; I12-I14 PolarHBondContact O-N 3.19Å; I14-N16 PolarHBondContact O-N 2.78Å
15	S	36.9	Very low	58.1	Low	102 Å²	102	111 Å²	111	71%	0.713	59%	0.586	S	S	*	*			trans	-65.4	92.9	158.6	64.4	0	0	0	0	105.8	N13 G17	N13-S15 PolarHBondContact O-N 2.87Å; S15-G17 VanDerWaalsContact C-N 3.33Å; S15-G17 PolarHBondContact O-N 2.79Å
16	N	34	Very low	60	Low	139 Å²	139	104.8 Å²	104.8	74%	0.743	55%	0.553	S	S	*	*			trans	-50.6	113.1	149.4	-81.6	-21.3	0	0	0	104.6	I14 E18	I14-N16 PolarHBondContact O-N 2.78Å; N16-E18 PolarHBondContact O-N 3.12Å
17	G	34.5	Very low	62.1	Low	71 Å²	71	99.8 Å²	99.8	73%	0.732	53%	0.531	S	S	*	.			trans	-67.8	69.5	-174	0	0	0	0	0	111.1	S15 S19	S15-G17 VanDerWaalsContact C-N 3.33Å; S15-G17 PolarHBondContact O-N 2.79Å; G17-S19 PolarHBondContact O-N 3.41Å
18	E	43.4	Very low	64.1	Low	170 Å²	170	97.7 Å²	97.7	79%	0.794	52%	0.521	S	S	*	.			trans	-69.5	76	161.5	-166.6	156.6	-155.8	0	0	106	N16 D20	N16-E18 PolarHBondContact O-N 3.12Å; E18-D20 PolarHBondContact O-N 3.12Å; E18-D20 VanDerWaalsContact O-N 3.08Å
19	S	55.9	Low	65.8	Low	44 Å²	44	93.1 Å²	93.1	31%	0.308	49%	0.493	S	S	.	.			trans	-67.8	105.8	170.4	-147.8	0	0	0	0	105.2	G17 Y21 P40	G17-S19 PolarHBondContact O-N 3.41Å; S19-Y21 WeakPolarHBondContact O-CD2 3.43Å; S19-Y21 PolarHBondContact O-N 2.87Å; S19-P40 VanDerWaalsContact OG-CG 3.28Å; S19-P40 WeakPolarHBondContact OG-CG 3.39Å
20	D	80	Confident	67.2	Low	137 Å²	137	90 Å²	90	73%	0.733	49%	0.492	S	S	*	.			trans	-46.1	112.7	177.9	-84.3	-29	0	0	0	109.2	E18	E18-D20 PolarHBondContact O-N 3.12Å; E18-D20 VanDerWaalsContact O-N 3.08Å
21	Y	89	Confident	68.8	Low	86 Å²	86	87.5 Å²	87.5	34%	0.337	48%	0.482	S	S	.	.			trans	-68.6	138.7	-175.2	-75.3	-93	0	0	0	110	S19 H23 R37 L38	S19-Y21 WeakPolarHBondContact O-CD2 3.43Å; S19-Y21 PolarHBondContact O-N 2.87Å; Y21-H23 PolarHBondContact O-CE1 3.42Å; Y21-H23 PolarHBondContact O-ND1 3.27Å; Y21-H23 VanDerWaalsContact O-ND1 3.14Å; Y21-R37 HydrophobicContact CD1-CG 3.44Å; Y21-R37 VanDerWaalsContact CD1-CG 3.44Å; Y21-R37 VanDerWaalsContact CD2-NE 3.34Å; Y21-R37 HydrophobicContact CE1-CG 4.13Å; Y21-R37 VanDerWaalsContact CE2-CZ 3.48Å; Y21-R37 HydrophobicContact CG-CG 3.8Å; Y21-R37 VanDerWaalsContact CZ-CZ 3.49Å; Y21-L38 WeakPolarHBondContact CD1-O 3.37Å
22	L	92.9	Very high	70.5	Confident	26 Å²	26	81 Å²	81	14%	0.136	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	144.9	173.2	-55.6	176.7	0	0	0	109.2	L38 P40 F47 A132 F158 P159	L22-L38 HydrophobicContact CB-CB 4.36Å; L22-L38 PolarHBondContact N-O 3.44Å; L22-L38 PolarHBondContact O-N 3.27Å; L22-P40 HydrophobicContact CD1-CB 4Å; L22-P40 HydrophobicContact CG-CB 4.35Å; L22-F47 HydrophobicContact CD1-CD2 3.32Å; L22-F47 HydrophobicContact CD1-CE2 3.4Å; L22-F47 HydrophobicContact CD1-CG 4.11Å; L22-F47 HydrophobicContact CD1-CZ 4.25Å; L22-A132 HydrophobicContact CD1-CB 4.09Å; L22-F158 HydrophobicContact CB-CE2 3.75Å; L22-F158 HydrophobicContact CB-CZ 4.09Å; L22-F158 HydrophobicContact CD1-CE2 4.39Å; L22-F158 HydrophobicContact CD1-CZ 3.91Å; L22-P159 HydrophobicContact CB-CB 4.2Å; L22-P159 HydrophobicContact CD2-CB 3.88Å; L22-P159 HydrophobicContact CD2-CG 4.36Å
23	H	93.6	Very high	71.7	Confident	34 Å²	34	76.5 Å²	76.5	16%	0.157	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.6	-178.6	-67.1	76	0	0	0	109.9	Y21 T35 Y36 V160 V162	Y21-H23 PolarHBondContact O-CE1 3.42Å; Y21-H23 PolarHBondContact O-ND1 3.27Å; Y21-H23 VanDerWaalsContact O-ND1 3.14Å; H23-T35 HydrophobicContact CB-CG2 3.84Å; H23-Y36 WeakPolarHBondContact CA-O 3.49Å; H23-V160 HydrophobicContact CB-CB 4.49Å; H23-V160 PolarHBondContact O-N 3.12Å; H23-V162 HydrophobicContact CB-CG1 3.69Å; H23-V162 HydrophobicContact CB-CG2 4.33Å; H23-V162 VanDerWaalsContact CE1-CG2 3.45Å; H23-V162 WeakPolarHBondContact CE1-CG2 3.35Å; H23-V162 WeakPolarHBondContact ND1-CG2 3.43Å
24	L	95.2	Very high	74.1	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	119.8	175.1	174.1	81.4	0	0	0	108.4	T35 Y36 L38 L56 I104 M134 I142 V156 F158	L24-T35 CarbonylContact O-C 3.6Å; L24-T35 VanDerWaalsContact O-CA 3.32Å; L24-T35 WeakPolarHBondContact O-CA 3.44Å; L24-Y36 HydrophobicContact CD2-CD2 4.25Å; L24-Y36 PolarHBondContact N-O 3.49Å; L24-Y36 PolarHBondContact O-N 3.06Å; L24-L38 HydrophobicContact CB-CD1 3.61Å; L24-L56 HydrophobicContact CD2-CD2 3.95Å; L24-I104 HydrophobicContact CD1-CD1 3.99Å; L24-I104 HydrophobicContact CD2-CD1 4.28Å; L24-M134 HydrophobicContact CD2-CE 3.41Å; L24-M134 VanDerWaalsContact CD2-CE 3.41Å; L24-I142 HydrophobicContact CD2-CD1 4.16Å; L24-V156 HydrophobicContact CD1-CB 3.71Å; L24-V156 HydrophobicContact CD1-CG1 4.06Å; L24-V156 HydrophobicContact CD1-CG2 3.73Å; L24-V156 HydrophobicContact CG-CB 4.5Å; L24-F158 HydrophobicContact CB-CD2 3.8Å; L24-F158 HydrophobicContact CB-CE2 4.25Å; L24-F158 HydrophobicContact CD1-CB 3.69Å; L24-F158 HydrophobicContact CD1-CD2 3.91Å; L24-F158 HydrophobicContact CD1-CG 3.87Å
25	R	93.3	Very high	76.5	Confident	114 Å²	114	65.4 Å²	65.4	43%	0.43	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	124.3	174.1	177.9	172.5	64.7	-166.9	2.5	109.7	V156 D157 V160	R25-V156 CarbonylContact O-C 3.56Å; R25-V156 WeakPolarHBondContact O-CA 3.35Å; R25-V156 WeakPolarHBondContact O-CB 3.48Å; R25-D157 HydrophobicContact CB-CB 4.47Å; R25-D157 IonicContact CZ-OD2 3.31Å; R25-D157 VanDerWaalsContact CZ-OD2 3.31Å; R25-D157 PolarHBondContact N-O 3.03Å; R25-D157 IonicContact NE-OD2 3.14Å; R25-D157 PolarHBondContact NE-OD2 3.19Å; R25-D157 VanDerWaalsContact NE-OD2 3.14Å; R25-D157 IonicContact NH2-OD2 2.66Å; R25-D157 PolarHBondContact NH2-OD2 3.14Å; R25-D157 PolarHBondContact O-N 3.22Å; R25-V160 HydrophobicContact CB-CG2 3.87Å
26	V	93.9	Very high	79.2	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.018	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.5	172.6	174.9	0	0	0	0	109.5	L32 F34 Y36 I142 A154 V156	V26-L32 HydrophobicContact CB-CB 4.39Å; V26-L32 WeakPolarHBondContact CB-O 3.3Å; V26-L32 HydrophobicContact CG1-CB 3.81Å; V26-L32 HydrophobicContact CG1-CD1 4.45Å; V26-L32 VanDerWaalsContact CG1-O 3.29Å; V26-L32 WeakPolarHBondContact CG1-O 3.27Å; V26-F34 PolarHBondContact N-O 2.05Å; V26-F34 VanDerWaalsContact N-O 3.1Å; V26-Y36 HydrophobicContact CB-CE2 4.32Å; V26-Y36 HydrophobicContact CG2-CD2 4.05Å; V26-Y36 HydrophobicContact CG2-CE2 3.59Å; V26-I142 HydrophobicContact CG2-CD1 4.45Å; V26-A154 HydrophobicContact CG1-CB 4.25Å; V26-V156 HydrophobicContact CB-CG1 4.47Å; V26-V156 HydrophobicContact CG2-CG1 3.9Å
27	I	92.3	Very high	82	Confident	66 Å²	66	60.1 Å²	60.1	34%	0.338	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-44	179.4	-60.3	161.4	0	0	0	110.5	L155 D157	I27-L155 HydrophobicContact CB-CB 4.37Å; I27-L155 HydrophobicContact CB-CD2 4.3Å; I27-L155 HydrophobicContact CB-CG 4.41Å; I27-L155 HydrophobicContact CD1-CD2 4.4Å; I27-L155 HydrophobicContact CD1-CG 4.32Å; I27-L155 HydrophobicContact CG2-CD2 4.13Å; I27-L155 PolarHBondContact N-O 2.89Å; I27-D157 WeakPolarHBondContact CD1-OD1 3.24Å; I27-D157 WeakPolarHBondContact CD1-OD2 3.18Å
28	N	91.2	Very high	84.8	Confident	90 Å²	90	56.8 Å²	56.8	48%	0.481	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	132.3	-177	-170.6	-34.3	0	0	0	109	A154 L155	N28-A154 CarbonylContact O-C 3.54Å; N28-A154 WeakPolarHBondContact O-CA 3.32Å; N28-A154 WeakPolarHBondContact O-CB 3.45Å; N28-L155 HydrophobicContact CB-CB 3.78Å; N28-L155 PolarHBondContact N-O 2.98Å; N28-L155 PolarHBondContact O-N 3.1Å
29	P	89.4	Confident	87.3	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.058	25%	0.253	C	S	.	.	S	Bend	cis	-69.3	146.2	5.2	31.3	-37.8	0	0	0	113.8	T31 L32 L149 L151	P29-T31 WeakPolarHBondContact CB-OG1 3Å; P29-T31 PolarHBondContact O-N 3.46Å; P29-T31 VanDerWaalsContact O-N 3.09Å; P29-L32 HydrophobicContact CG-CB 4.5Å; P29-L32 HydrophobicContact CG-CD1 3.98Å; P29-L32 HydrophobicContact CG-CG 4.21Å; P29-L32 PolarHBondContact O-N 3.3Å; P29-L149 HydrophobicContact CB-CD1 3.45Å; P29-L149 VanDerWaalsContact CB-CD1 3.45Å; P29-L149 HydrophobicContact CG-CD1 3.55Å; P29-L151 HydrophobicContact CB-CD1 4.46Å; P29-L151 HydrophobicContact CG-CD1 4.48Å
30	S	81.3	Confident	89.1	Confident	100 Å²	100	48 Å²	48	70%	0.699	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.4	179.8	57.8	0	0	0	0	113.5	P33	S30-P33 VanDerWaalsContact O-CD 3.24Å; S30-P33 WeakPolarHBondContact O-CD 3.31Å; S30-P33 WeakPolarHBondContact O-CG 3.03Å
31	T	79.7	Confident	89.7	Confident	87 Å²	87	41.7 Å²	41.7	53%	0.534	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-15.4	170.1	55.4	0	0	0	0	113	P29 P33	P29-T31 WeakPolarHBondContact CB-OG1 3Å; P29-T31 PolarHBondContact O-N 3.46Å; P29-T31 VanDerWaalsContact O-N 3.09Å; T31-P33 WeakPolarHBondContact O-CD 3.41Å
32	L	79.6	Confident	89.8	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.037	22%	0.217	C	C	.	.			trans	-118.2	52.7	175.3	-65.3	176.1	0	0	0	111.5	V26 P29 F34 I142 A145	V26-L32 HydrophobicContact CB-CB 4.39Å; V26-L32 WeakPolarHBondContact CB-O 3.3Å; V26-L32 HydrophobicContact CG1-CB 3.81Å; V26-L32 HydrophobicContact CG1-CD1 4.45Å; V26-L32 VanDerWaalsContact CG1-O 3.29Å; V26-L32 WeakPolarHBondContact CG1-O 3.27Å; P29-L32 HydrophobicContact CG-CB 4.5Å; P29-L32 HydrophobicContact CG-CD1 3.98Å; P29-L32 HydrophobicContact CG-CG 4.21Å; P29-L32 PolarHBondContact O-N 3.3Å; L32-F34 PolarHBondContact O-N 3.24Å; L32-I142 HydrophobicContact CD1-CG2 4.47Å; L32-A145 HydrophobicContact CD1-CB 3.62Å; L32-A145 HydrophobicContact CD2-CB 3.55Å; L32-A145 HydrophobicContact CG-CB 3.67Å
33	P	74.2	Confident	89.8	Confident	35 Å²	35	41.6 Å²	41.6	23%	0.227	21%	0.214	C	C	.	.			trans	-80.4	44.4	-176.2	38.1	-33.3	0	0	0	110.1	S30 T31 R171	S30-P33 VanDerWaalsContact O-CD 3.24Å; S30-P33 WeakPolarHBondContact O-CD 3.31Å; S30-P33 WeakPolarHBondContact O-CG 3.03Å; T31-P33 WeakPolarHBondContact O-CD 3.41Å; P33-R171 WeakPolarHBondContact O-CB 3.29Å; P33-R171 WeakPolarHBondContact O-CD 3.41Å
34	F	85.8	Confident	89.8	Confident	44 Å²	44	40.9 Å²	40.9	19%	0.193	22%	0.216	C	C	.	.			trans	-102.3	151.4	-172.9	-62.1	-60.4	0	0	0	111.8	V26 L32 Y36 R171 L172 T173 P174	V26-F34 PolarHBondContact N-O 2.05Å; V26-F34 VanDerWaalsContact N-O 3.1Å; L32-F34 PolarHBondContact O-N 3.24Å; F34-Y36 HydrophobicContact CB-CE1 4.39Å; F34-Y36 HydrophobicContact CB-CE2 3.84Å; F34-R171 CarbonylContact C-O 3.54Å; F34-R171 WeakPolarHBondContact CA-O 3.32Å; F34-L172 WeakPolarHBondContact CD1-O 3.46Å; F34-T173 HydrophobicContact CB-CG2 4.05Å; F34-T173 HydrophobicContact CG-CG2 4.31Å; F34-P174 HydrophobicContact CE1-CG 4.18Å; F34-P174 HydrophobicContact CZ-CG 3.95Å
35	T	90.7	Very high	89.7	Confident	10 Å²	10	43.6 Å²	43.6	6%	0.061	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.7	167.6	-54.3	0	0	0	0	108.6	H23 L24 R171	H23-T35 HydrophobicContact CB-CG2 3.84Å; L24-T35 CarbonylContact O-C 3.6Å; L24-T35 VanDerWaalsContact O-CA 3.32Å; L24-T35 WeakPolarHBondContact O-CA 3.44Å; T35-R171 PolarHBondContact N-O 2.91Å
36	Y	93	Very high	89.7	Confident	1 Å²	1	44.4 Å²	44.4	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140	-178	-58.9	-86.4	0	0	0	109.9	H23 L24 V26 F34 L38 M134 D138 I142 T173	H23-Y36 WeakPolarHBondContact CA-O 3.49Å; L24-Y36 HydrophobicContact CD2-CD2 4.25Å; L24-Y36 PolarHBondContact N-O 3.49Å; L24-Y36 PolarHBondContact O-N 3.06Å; V26-Y36 HydrophobicContact CB-CE2 4.32Å; V26-Y36 HydrophobicContact CG2-CD2 4.05Å; V26-Y36 HydrophobicContact CG2-CE2 3.59Å; F34-Y36 HydrophobicContact CB-CE1 4.39Å; F34-Y36 HydrophobicContact CB-CE2 3.84Å; Y36-L38 VanDerWaalsContact O-CD1 3.32Å; Y36-L38 WeakPolarHBondContact O-CD1 3.04Å; Y36-M134 HydrophobicContact CG-CE 4.4Å; Y36-D138 HydrophobicContact CD1-CB 3.51Å; Y36-D138 HydrophobicContact CE1-CB 4.01Å; Y36-D138 HydrophobicContact CG-CB 4.49Å; Y36-I142 HydrophobicContact CD1-CD1 4.4Å; Y36-I142 HydrophobicContact CD2-CD1 3.94Å; Y36-I142 HydrophobicContact CE1-CD1 4.19Å; Y36-I142 HydrophobicContact CE1-CG1 4.07Å; Y36-I142 HydrophobicContact CE2-CD1 3.75Å; Y36-I142 HydrophobicContact CE2-CG1 3.86Å; Y36-I142 HydrophobicContact CG-CD1 4.25Å; Y36-T173 HydrophobicContact CD1-CG2 3.55Å; Y36-T173 HydrophobicContact CE1-CG2 3.4Å; Y36-T173 VanDerWaalsContact CE1-CG2 3.4Å
37	R	92.4	Very high	89.6	Confident	129 Å²	129	45.9 Å²	45.9	49%	0.487	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.4	-179.9	-174.9	-176.8	-179.4	178.3	7.3	109.7	Y21	Y21-R37 HydrophobicContact CD1-CG 3.44Å; Y21-R37 VanDerWaalsContact CD1-CG 3.44Å; Y21-R37 VanDerWaalsContact CD2-NE 3.34Å; Y21-R37 HydrophobicContact CE1-CG 4.13Å; Y21-R37 VanDerWaalsContact CE2-CZ 3.48Å; Y21-R37 HydrophobicContact CG-CG 3.8Å; Y21-R37 VanDerWaalsContact CZ-CZ 3.49Å
38	L	94.9	Very high	89.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.4	-179	-70.2	79.9	0	0	0	110.7	Y21 L22 L24 Y36 I104 A132 F133 M134 F158	Y21-L38 WeakPolarHBondContact CD1-O 3.37Å; L22-L38 HydrophobicContact CB-CB 4.36Å; L22-L38 PolarHBondContact N-O 3.44Å; L22-L38 PolarHBondContact O-N 3.27Å; L24-L38 HydrophobicContact CB-CD1 3.61Å; Y36-L38 VanDerWaalsContact O-CD1 3.32Å; Y36-L38 WeakPolarHBondContact O-CD1 3.04Å; L38-I104 HydrophobicContact CD2-CB 4.37Å; L38-I104 HydrophobicContact CD2-CD1 3.8Å; L38-I104 HydrophobicContact CD2-CG1 3.89Å; L38-I104 HydrophobicContact CD2-CG2 3.61Å; L38-A132 HydrophobicContact CB-CB 4.24Å; L38-A132 HydrophobicContact CD2-CB 3.79Å; L38-F133 CarbonylContact C-O 3.57Å; L38-F133 VanDerWaalsContact CA-O 3.22Å; L38-F133 WeakPolarHBondContact CA-O 3.4Å; L38-F133 WeakPolarHBondContact CB-O 3.3Å; L38-M134 HydrophobicContact CD1-CE 3.88Å; L38-M134 HydrophobicContact CD2-CB 4.2Å; L38-M134 HydrophobicContact CD2-CE 4.17Å; L38-M134 HydrophobicContact CG-CB 4.05Å; L38-M134 HydrophobicContact CG-CE 4.23Å; L38-M134 HydrophobicContact CG-CG 4.45Å; L38-F158 HydrophobicContact CD2-CE2 4.12Å; L38-F158 HydrophobicContact CD2-CZ 4.05Å
39	S	94.2	Very high	89.4	Confident	11 Å²	11	49.5 Å²	49.5	8%	0.077	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.8	168.8	-69.4	0	0	0	0	110.4	T115 A132 F133	S39-T115 VanDerWaalsContact OG-CB 3.26Å; S39-T115 WeakPolarHBondContact OG-CB 3.26Å; S39-T115 PolarHBondContact OG-OG1 2.7Å; S39-A132 CarbonylContact O-C 3.49Å; S39-A132 WeakPolarHBondContact O-CA 3.44Å; S39-F133 PolarHBondContact N-O 3.31Å; S39-F133 PolarHBondContact O-N 3Å
40	P	93.9	Very high	89.6	Confident	19 Å²	19	53 Å²	53	12%	0.123	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	136.7	173.1	28.5	-34.1	0	0	0	110.4	S19 L22	S19-P40 VanDerWaalsContact OG-CG 3.28Å; S19-P40 WeakPolarHBondContact OG-CG 3.39Å; L22-P40 HydrophobicContact CD1-CB 4Å; L22-P40 HydrophobicContact CG-CB 4.35Å
41	G	92.9	Very high	90.2	Very high	4 Å²	4	49.7 Å²	49.7	4%	0.041	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-79.4	144.9	173.4	0	0	0	0	0	111.6	C131	G41-C131 WeakPolarHBondContact CA-O 3.33Å; G41-C131 PolarHBondContact N-O 2.61Å
42	Q	90.8	Very high	90.9	Very high	97 Å²	97	50.2 Å²	50.2	45%	0.453	27%	0.269	S	S	.	.	S	Bend	trans	-105.7	24.4	-177.3	-56.3	-61.4	-37.2	0	0	112.2	S117 M118	Q42-S117 VanDerWaalsContact CG-OG 3.32Å; Q42-S117 WeakPolarHBondContact CG-OG 3.22Å; Q42-M118 PolarHBondContact N-O 2.97Å
43	I	93.7	Very high	91.6	Very high	14 Å²	14	53.5 Å²	53.5	7%	0.072	29%	0.292	C	S	.	.	S	Bend	trans	-103.3	-19.2	-178.8	62.1	176.6	0	0	0	113.9	F88 V89 A92 M118 I119 Q120 V127 C131	I43-F88 HydrophobicContact CD1-CB 3.78Å; I43-V89 HydrophobicContact CG2-CG2 4.46Å; I43-A92 HydrophobicContact CD1-CB 4.16Å; I43-M118 HydrophobicContact CD1-CB 4.43Å; I43-M118 HydrophobicContact CD1-CE 3.69Å; I43-M118 HydrophobicContact CG2-CB 4.36Å; I43-M118 WeakPolarHBondContact CG2-O 3.36Å; I43-I119 VanDerWaalsContact CG2-O 3.28Å; I43-I119 WeakPolarHBondContact CG2-O 3.46Å; I43-Q120 HydrophobicContact CG2-CB 4.45Å; I43-V127 HydrophobicContact CB-CG2 4.23Å; I43-V127 HydrophobicContact CD1-CG2 4.15Å; I43-V127 HydrophobicContact CG1-CG2 4.18Å; I43-V127 WeakPolarHBondContact O-CB 3.37Å; I43-C131 HydrophobicContact CD1-CB 4.23Å; I43-C131 HydrophobicContact CG1-CB 4.05Å
44	G	93.2	Very high	92.6	Very high	19 Å²	19	52.9 Å²	52.9	20%	0.196	29%	0.288	C	S	.	.	S	Bend	trans	-132.8	-171.3	-173.8	0	0	0	0	0	111.8
45	P	94.4	Very high	93.2	Very high	57 Å²	57	51.7 Å²	51.7	37%	0.37	29%	0.285	S	S	.	.			trans	-62	156.9	174.4	28.7	-36.2	0	0	0	111.7	P130	P45-P130 WeakPolarHBondContact O-CA 3.42Å; P45-P130 WeakPolarHBondContact O-CB 3.43Å
46	H	93	Very high	93.6	Very high	130 Å²	130	51.3 Å²	51.3	60%	0.602	28%	0.283	S	S	*	.			trans	-68.6	157.4	171.1	-58.9	-63.1	0	0	0	111.5	N48	H46-N48 PolarHBondContact O-N 3.21Å; H46-N48 VanDerWaalsContact O-N 3.1Å
47	F	91.6	Very high	93.8	Very high	34 Å²	34	51.2 Å²	51.2	15%	0.149	28%	0.282	C	S	.	.			trans	-73.2	100.6	172.5	-74	-90.1	0	0	0	110.1	L22 F51 A102 P130 C131 A132 F158 P159	L22-F47 HydrophobicContact CD1-CD2 3.32Å; L22-F47 HydrophobicContact CD1-CE2 3.4Å; L22-F47 HydrophobicContact CD1-CG 4.11Å; L22-F47 HydrophobicContact CD1-CZ 4.25Å; F47-F51 HydrophobicContact CD1-CE2 4.26Å; F47-F51 HydrophobicContact CE1-CE2 4.25Å; F47-A102 HydrophobicContact CE1-CB 3.97Å; F47-A102 HydrophobicContact CZ-CB 4.5Å; F47-P130 HydrophobicContact CD1-CB 3.75Å; F47-P130 HydrophobicContact CD1-CG 3.86Å; F47-P130 HydrophobicContact CD2-CB 3.88Å; F47-P130 HydrophobicContact CE1-CB 3.64Å; F47-P130 HydrophobicContact CE1-CG 3.71Å; F47-P130 HydrophobicContact CE2-CB 3.8Å; F47-P130 HydrophobicContact CG-CB 3.86Å; F47-P130 HydrophobicContact CG-CG 4.43Å; F47-P130 HydrophobicContact CZ-CB 3.67Å; F47-P130 HydrophobicContact CZ-CG 4.18Å; F47-C131 WeakPolarHBondContact CE2-O 3.27Å; F47-A132 HydrophobicContact CE2-CB 3.98Å; F47-A132 HydrophobicContact CZ-CB 4.03Å; F47-F158 HydrophobicContact CD1-CE1 4.12Å; F47-F158 AromaticContact CE1-CD1 3.88Å; F47-F158 HydrophobicContact CE1-CD1 3.88Å; F47-F158 AromaticContact CE1-CE1 3.28Å; F47-F158 HydrophobicContact CE1-CE1 3.28Å; F47-F158 HydrophobicContact CE1-CZ 4.07Å; F47-F158 HydrophobicContact CE2-CE1 4.3Å; F47-F158 HydrophobicContact CE2-CZ 4.38Å; F47-F158 HydrophobicContact CZ-CD1 4.41Å; F47-F158 AromaticContact CZ-CE1 3.39Å; F47-F158 HydrophobicContact CZ-CE1 3.39Å; F47-F158 AromaticContact CZ-CZ 3.88Å; F47-F158 HydrophobicContact CZ-CZ 3.88Å; F47-P159 HydrophobicContact CB-CG 4.03Å; F47-P159 HydrophobicContact CD1-CG 4.42Å; F47-P159 HydrophobicContact CG-CG 4.39Å
48	N	89	Confident	94.1	Very high	147 Å²	147	47.1 Å²	47.1	79%	0.786	27%	0.27	S	S	*	.			trans	-99.3	-7.6	176.9	-66.1	-3.3	0	0	0	113	H46	H46-N48 PolarHBondContact O-N 3.21Å; H46-N48 VanDerWaalsContact O-N 3.1Å
49	T	89.5	Confident	94.3	Very high	85 Å²	85	47.3 Å²	47.3	52%	0.521	27%	0.271	S	S	.	.	S	Bend	trans	-131.3	138.4	-176.6	50	0	0	0	0	110.4
50	T	93.1	Very high	94.5	Very high	84 Å²	84	51.5 Å²	51.5	52%	0.515	29%	0.289	S	S	.	.			trans	-89	126.6	168.4	-61.7	0	0	0	0	109.7	T52 P159	T50-T52 HydrophobicContact CG2-CG2 4.17Å; T50-P159 VanDerWaalsContact CG2-O 3.27Å; T50-P159 WeakPolarHBondContact CG2-O 3.49Å; T50-P159 PolarHBondContact OG1-O 2.62Å
51	F	94.1	Very high	94.6	Very high	29 Å²	29	51.9 Å²	51.9	13%	0.127	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	117	169	-55.3	-72.7	0	0	0	108.5	F47 T54 I78 V101 A102 D157 F158	F47-F51 HydrophobicContact CD1-CE2 4.26Å; F47-F51 HydrophobicContact CE1-CE2 4.25Å; F51-T54 HydrophobicContact CB-CG2 4.41Å; F51-I78 HydrophobicContact CB-CD1 4.25Å; F51-I78 HydrophobicContact CD2-CD1 4.13Å; F51-I78 HydrophobicContact CG-CD1 4.31Å; F51-V101 HydrophobicContact CD1-CG2 3.96Å; F51-V101 HydrophobicContact CE1-CB 3.79Å; F51-V101 HydrophobicContact CE1-CG2 3.5Å; F51-V101 HydrophobicContact CZ-CB 4.12Å; F51-V101 HydrophobicContact CZ-CG2 3.98Å; F51-A102 HydrophobicContact CE2-CB 3.8Å; F51-A102 HydrophobicContact CZ-CB 4.13Å; F51-D157 CarbonylContact O-C 3.43Å; F51-D157 VanDerWaalsContact O-CA 3.31Å; F51-D157 WeakPolarHBondContact O-CA 3.43Å; F51-F158 WeakPolarHBondContact CA-O 3.36Å; F51-F158 WeakPolarHBondContact CB-O 3.14Å; F51-F158 HydrophobicContact CD2-CD1 4.49Å; F51-F158 VanDerWaalsContact CD2-O 3.23Å; F51-F158 WeakPolarHBondContact CD2-O 3.29Å; F51-F158 PolarHBondContact N-O 3.18Å; F51-F158 PolarHBondContact O-N 2.66Å
52	T	94.3	Very high	94.9	Very high	99 Å²	99	55.1 Å²	55.1	61%	0.607	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.5	175.9	54.5	0	0	0	0	109.7	T50 T54 D157	T50-T52 HydrophobicContact CG2-CG2 4.17Å; T52-T54 PolarHBondContact O-N 3.29Å; T52-T54 PolarHBondContact O-OG1 2.94Å; T52-D157 VanDerWaalsContact CA-OD1 3.3Å; T52-D157 WeakPolarHBondContact CA-OD1 3.29Å
53	S	94.3	Very high	95.2	Very high	75 Å²	75	54.1 Å²	54.1	52%	0.524	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	44.8	41.9	-179.9	-62.4	0	0	0	0	113.4	L155 V156 D157	S53-L155 VanDerWaalsContact C-CD1 3.41Å; S53-L155 WeakPolarHBondContact O-CD1 3.4Å; S53-V156 PolarHBondContact N-O 2.78Å; S53-D157 PolarHBondContact N-OD1 3.14Å
54	T	96.6	Very high	95.4	Very high	22 Å²	22	53.5 Å²	53.5	14%	0.135	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	152.3	-179	-61.5	0	0	0	0	109.6	F51 T52 I78 V156	F51-T54 HydrophobicContact CB-CG2 4.41Å; T52-T54 PolarHBondContact O-N 3.29Å; T52-T54 PolarHBondContact O-OG1 2.94Å; T54-I78 HydrophobicContact CG2-CD1 4.35Å; T54-I78 HydrophobicContact CG2-CG1 4.04Å; T54-V156 PolarHBondContact N-O 3.45Å; T54-V156 WeakPolarHBondContact O-CG2 3.45Å; T54-V156 PolarHBondContact O-N 3.28Å
55	S	97.9	Very high	95.6	Very high	20 Å²	20	54.9 Å²	54.9	14%	0.14	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	133	177.2	-53.9	0	0	0	0	110.7	N77 I78 A154	S55-N77 VanDerWaalsContact CB-OD1 3.3Å; S55-N77 WeakPolarHBondContact CB-OD1 3.46Å; S55-N77 PolarHBondContact N-OD1 2.97Å; S55-N77 WeakPolarHBondContact O-CB 3.38Å; S55-I78 PolarHBondContact O-N 3.06Å; S55-A154 CarbonylContact C-O 3.53Å; S55-A154 WeakPolarHBondContact CA-O 3.33Å
56	L	98.3	Very high	95.8	Very high	1 Å²	1	58 Å²	58	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	108.8	161.9	-178.7	65.9	0	0	0	107.8	L24 I78 L80 I104 I142 K153 A154 V156	L24-L56 HydrophobicContact CD2-CD2 3.95Å; L56-I78 WeakPolarHBondContact CA-O 3.34Å; L56-I78 HydrophobicContact CD1-CB 3.99Å; L56-I78 HydrophobicContact CD1-CG2 3.62Å; L56-L80 HydrophobicContact CD1-CB 3.81Å; L56-L80 HydrophobicContact CD1-CD1 4.38Å; L56-L80 HydrophobicContact CD2-CD2 4.05Å; L56-L80 HydrophobicContact CG-CB 4Å; L56-L80 HydrophobicContact CG-CD2 4.24Å; L56-I104 HydrophobicContact CD1-CB 4.48Å; L56-I104 HydrophobicContact CD1-CD1 3.92Å; L56-I142 HydrophobicContact CD2-CD1 4.45Å; L56-I142 HydrophobicContact CD2-CG2 4.45Å; L56-K153 CarbonylContact O-C 3.51Å; L56-K153 WeakPolarHBondContact O-CA 3.5Å; L56-K153 WeakPolarHBondContact O-CB 3.38Å; L56-A154 HydrophobicContact CB-CB 4.45Å; L56-A154 PolarHBondContact N-O 3.25Å; L56-A154 PolarHBondContact O-N 2.8Å; L56-V156 HydrophobicContact CB-CG1 3.74Å; L56-V156 HydrophobicContact CB-CG2 3.99Å; L56-V156 HydrophobicContact CD2-CG1 4.21Å
57	V	98.5	Very high	96	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.3	-166.4	-178.8	0	0	0	0	110.2	T59 E73 V74 N77 I78 L80 K153	V57-T59 PolarHBondContact O-N 3.42Å; V57-E73 HydrophobicContact CG1-CB 3.69Å; V57-V74 HydrophobicContact CB-CG2 4.27Å; V57-V74 HydrophobicContact CG1-CG2 3.79Å; V57-N77 HydrophobicContact CG2-CB 3.78Å; V57-I78 PolarHBondContact N-O 3.41Å; V57-L80 PolarHBondContact O-N 3.14Å; V57-K153 HydrophobicContact CG2-CB 4Å
58	L	98.4	Very high	96.3	Very high	43 Å²	43	56.4 Å²	56.4	23%	0.225	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	126.7	171.7	-59.3	-179.3	0	0	0	109.5	N70 L80 T143 L146 T152	L58-N70 PolarHBondContact O-ND2 2.91Å; L58-L80 HydrophobicContact CD2-CB 4.33Å; L58-L80 HydrophobicContact CD2-CD2 3.73Å; L58-L80 HydrophobicContact CD2-CG 4.28Å; L58-T143 HydrophobicContact CD2-CG2 3.64Å; L58-L146 HydrophobicContact CD1-CD1 4.24Å; L58-L146 HydrophobicContact CD2-CD1 4.28Å; L58-L146 HydrophobicContact CG-CD1 4.16Å; L58-T152 PolarHBondContact N-O 2.81Å
59	T	98.4	Very high	96.7	Very high	4 Å²	4	55.2 Å²	55.2	3%	0.025	31%	0.31	C	S	.	.			trans	-79.8	145.1	177.5	60.8	0	0	0	0	111.8	V57 P61 P62 I68 V74 A79 L80 I81	V57-T59 PolarHBondContact O-N 3.42Å; T59-P61 CarbonylContact C-O 3.46Å; T59-P61 CarbonylContact O-C 3.51Å; T59-P61 PolarHBondContact OG1-O 3.18Å; T59-P62 WeakPolarHBondContact O-CA 3.35Å; T59-P62 VanDerWaalsContact O-N 3.15Å; T59-P62 PolarHBondContact OG1-O 3.5Å; T59-I68 HydrophobicContact CG2-CD1 3.79Å; T59-V74 HydrophobicContact CG2-CG2 4.32Å; T59-A79 HydrophobicContact CG2-CB 3.74Å; T59-L80 PolarHBondContact N-O 2.97Å; T59-I81 HydrophobicContact CG2-CD1 4.24Å; T59-I81 HydrophobicContact CG2-CG1 3.58Å
60	E	97.9	Very high	97.1	Very high	98 Å²	98	51.3 Å²	51.3	46%	0.458	29%	0.286	S	S	.	.	S	Bend	trans	-117.6	115.8	170.2	-66	-174.2	177.5	0	0	109.8	I68 N69 N70	E60-I68 CarbonylContact O-C 3.41Å; E60-I68 VanDerWaalsContact O-CA 3.27Å; E60-I68 WeakPolarHBondContact O-CA 3.44Å; E60-N69 HydrophobicContact CB-CB 4.34Å; E60-N69 PolarHBondContact O-N 3.35Å; E60-N70 HydrophobicContact CB-CB 4.4Å; E60-N70 PolarHBondContact N-OD1 3.22Å
61	P	97.9	Very high	97.3	Very high	27 Å²	27	48.9 Å²	48.9	18%	0.175	28%	0.275	C	S	.	.	S	Bend	cis	-69.8	157.8	-0.5	31.7	-38.5	0	0	0	113	T59 H63 A64 E66	T59-P61 CarbonylContact C-O 3.46Å; T59-P61 CarbonylContact O-C 3.51Å; T59-P61 PolarHBondContact OG1-O 3.18Å; P61-H63 PolarHBondContact O-N 3.44Å; P61-A64 PolarHBondContact O-N 2.97Å; P61-E66 HydrophobicContact CG-CG 3.59Å; P61-E66 WeakPolarHBondContact CG-OE1 3.2Å
62	P	97.8	Very high	97.5	Very high	72 Å²	72	56 Å²	56	47%	0.468	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.3	-177.9	-28.3	35.9	0	0	0	114.6	T59 I81 I82	T59-P62 WeakPolarHBondContact O-CA 3.35Å; T59-P62 VanDerWaalsContact O-N 3.15Å; T59-P62 PolarHBondContact OG1-O 3.5Å; P62-I81 WeakPolarHBondContact O-CG2 3.35Å; P62-I82 HydrophobicContact CB-CG2 3.9Å; P62-I82 WeakPolarHBondContact O-CG2 3.2Å; P62-I82 PolarHBondContact O-N 2.83Å
63	H	97.6	Very high	97.7	Very high	77 Å²	77	52.5 Å²	52.5	36%	0.356	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-15.2	-179.6	-63.2	-73.3	0	0	0	113.7	P61 C65 I82 K91	P61-H63 PolarHBondContact O-N 3.44Å; H63-C65 PolarHBondContact O-N 2.99Å; H63-C65 PolarHBondContact O-SG 3.36Å; H63-I82 WeakPolarHBondContact CE1-CG2 3.41Å; H63-I82 WeakPolarHBondContact ND1-CG2 3.44Å; H63-K91 PolarHBondContact O-NZ 2.92Å
64	A	97.9	Very high	97.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.			trans	46.5	35.9	-176.5	0	0	0	0	0	114.2	P61 E66 I68 I81 N94	P61-A64 PolarHBondContact O-N 2.97Å; A64-E66 VanDerWaalsContact C-N 3.35Å; A64-I68 HydrophobicContact CB-CD1 4.12Å; A64-I68 HydrophobicContact CB-CG1 4.09Å; A64-I81 HydrophobicContact CB-CD1 3.82Å; A64-I81 HydrophobicContact CB-CG1 4.11Å; A64-I81 HydrophobicContact CB-CG2 3.92Å; A64-N94 PolarHBondContact O-ND2 2.85Å
65	C	98	Very high	98	Very high	48 Å²	48	51.7 Å²	51.7	32%	0.324	27%	0.267	S	S	.	.	S	Bend	trans	-83.2	-18.2	178	-63.1	0	0	0	0	112.9	H63 C86 N94	H63-C65 PolarHBondContact O-N 2.99Å; H63-C65 PolarHBondContact O-SG 3.36Å; C65-C86 WeakPolarHBondContact CA-SG 3.4Å; C65-C86 HydrophobicContact CB-CB 3.73Å; C65-C86 WeakPolarHBondContact CB-SG 3.38Å; C65-C86 WeakPolarHBondContact SG-CB 3.48Å; C65-C86 PolarHBondContact SG-N 3.42Å; C65-C86 CovalentContact SG-SG 2.05Å; C65-C86 PolarHBondContact SG-SG 3Å; C65-N94 VanDerWaalsContact C-ND2 3.3Å; C65-N94 PolarHBondContact O-ND2 3.4Å
66	E	97.2	Very high	98	Very high	123 Å²	123	60.1 Å²	60.1	58%	0.575	30%	0.296	S	S	*	.	S	Bend	trans	-117.7	-176	169.8	59	-170.6	175.3	0	0	109.4	P61 A64 I68 N94	P61-E66 HydrophobicContact CG-CG 3.59Å; P61-E66 WeakPolarHBondContact CG-OE1 3.2Å; A64-E66 VanDerWaalsContact C-N 3.35Å; E66-I68 PolarHBondContact O-N 3.46Å; E66-N94 PolarHBondContact O-ND2 3.21Å
67	L	96.8	Very high	98	Very high	119 Å²	119	61.6 Å²	61.6	62%	0.623	30%	0.304	S	S	*	.			trans	-59.5	137.4	176.9	-67.5	174	0	0	0	110.7	N69 V97	L67-N69 PolarHBondContact O-N 2.92Å; L67-V97 HydrophobicContact CD2-CG1 4.19Å
68	I	98.4	Very high	98	Very high	12 Å²	12	61.6 Å²	61.6	6%	0.062	30%	0.304	C	S	.	.			trans	-77.9	119.2	-179.5	-64.6	171.1	0	0	0	109.3	T59 E60 A64 E66 N70 A71 V74 A95 A98	T59-I68 HydrophobicContact CG2-CD1 3.79Å; E60-I68 CarbonylContact O-C 3.41Å; E60-I68 VanDerWaalsContact O-CA 3.27Å; E60-I68 WeakPolarHBondContact O-CA 3.44Å; A64-I68 HydrophobicContact CB-CD1 4.12Å; A64-I68 HydrophobicContact CB-CG1 4.09Å; E66-I68 PolarHBondContact O-N 3.46Å; I68-N70 WeakPolarHBondContact CG2-OD1 3.28Å; I68-A71 PolarHBondContact O-N 3.04Å; I68-V74 HydrophobicContact CG2-CG2 4.09Å; I68-A95 HydrophobicContact CD1-CB 4.22Å; I68-A98 HydrophobicContact CB-CB 3.98Å; I68-A98 HydrophobicContact CD1-CB 3.96Å; I68-A98 HydrophobicContact CG1-CB 4.46Å; I68-A98 HydrophobicContact CG2-CB 4.46Å
69	N	98.1	Very high	98	Very high	121 Å²	121	59.5 Å²	59.5	65%	0.647	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-40.5	-178.7	-64.4	-31.3	0	0	0	112.2	E60 L67 A71	E60-N69 HydrophobicContact CB-CB 4.34Å; E60-N69 PolarHBondContact O-N 3.35Å; L67-N69 PolarHBondContact O-N 2.92Å; N69-A71 PolarHBondContact O-N 3.36Å
70	N	98.1	Very high	98	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.016	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	37.4	177.8	70.8	-28.4	0	0	0	112.9	L58 E60 I68 Y72 E73 V74	L58-N70 PolarHBondContact O-ND2 2.91Å; E60-N70 HydrophobicContact CB-CB 4.4Å; E60-N70 PolarHBondContact N-OD1 3.22Å; I68-N70 WeakPolarHBondContact CG2-OD1 3.28Å; N70-Y72 HydrophobicContact CB-CE1 4.19Å; N70-Y72 PolarHBondContact O-N 3.35Å; N70-Y72 VanDerWaalsContact O-N 3.07Å; N70-E73 PolarHBondContact O-N 3.3Å; N70-V74 PolarHBondContact O-N 2.81Å
71	A	97.8	Very high	98	Very high	33 Å²	33	54.9 Å²	54.9	27%	0.273	27%	0.271	S	S	.	.	H	α-helix	trans	-54.1	-30.9	-180	0	0	0	0	0	113.1	I68 N69 E73 V74 N75 A98	I68-A71 PolarHBondContact O-N 3.04Å; N69-A71 PolarHBondContact O-N 3.36Å; A71-E73 VanDerWaalsContact C-N 3.28Å; A71-E73 PolarHBondContact O-N 2.95Å; A71-V74 PolarHBondContact O-N 3.3Å; A71-N75 VanDerWaalsContact O-CB 3.29Å; A71-N75 WeakPolarHBondContact O-CB 3.41Å; A71-N75 PolarHBondContact O-N 2.85Å; A71-A98 HydrophobicContact CB-CB 3.9Å
72	Y	97.7	Very high	98	Very high	180 Å²	180	54.6 Å²	54.6	71%	0.706	27%	0.268	S	S	*	.	H	α-helix	trans	-62.1	-32.4	176.5	78.6	-83.9	0	0	0	113.3	N70	N70-Y72 HydrophobicContact CB-CE1 4.19Å; N70-Y72 PolarHBondContact O-N 3.35Å; N70-Y72 VanDerWaalsContact O-N 3.07Å
73	E	97.9	Very high	98	Very high	24 Å²	24	55.1 Å²	55.1	11%	0.112	26%	0.261	C	S	.	.	H	α-helix	trans	-81	-39.4	175.5	-61.1	-175.9	-122	0	0	111.3	V57 N70 A71 N75 N77 T152	V57-E73 HydrophobicContact CG1-CB 3.69Å; N70-E73 PolarHBondContact O-N 3.3Å; A71-E73 VanDerWaalsContact C-N 3.28Å; A71-E73 PolarHBondContact O-N 2.95Å; E73-N75 VanDerWaalsContact C-N 3.34Å; E73-N77 PolarHBondContact O-ND2 3.07Å; E73-T152 WeakPolarHBondContact OE2-CB 3.25Å; E73-T152 PolarHBondContact OE2-OG1 2.91Å
74	V	98.4	Very high	97.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-71.3	-29.8	-178	173.4	0	0	0	0	112.2	V57 T59 I68 N70 A71 R76 N77 A79 A98 A100	V57-V74 HydrophobicContact CB-CG2 4.27Å; V57-V74 HydrophobicContact CG1-CG2 3.79Å; T59-V74 HydrophobicContact CG2-CG2 4.32Å; I68-V74 HydrophobicContact CG2-CG2 4.09Å; N70-V74 PolarHBondContact O-N 2.81Å; A71-V74 PolarHBondContact O-N 3.3Å; V74-R76 PolarHBondContact O-N 3.02Å; V74-N77 WeakPolarHBondContact O-CA 3.47Å; V74-N77 WeakPolarHBondContact O-CB 3.38Å; V74-N77 PolarHBondContact O-N 2.73Å; V74-A79 HydrophobicContact CG1-CB 4.08Å; V74-A98 HydrophobicContact CB-CB 4.46Å; V74-A98 HydrophobicContact CG1-CB 4.08Å; V74-A100 HydrophobicContact CG1-CB 3.65Å
75	N	98.3	Very high	97.8	Very high	80 Å²	80	56.6 Å²	56.6	43%	0.428	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	126.8	-179.6	-176	33.6	0	0	0	111.6	A71 E73 N77	A71-N75 VanDerWaalsContact O-CB 3.29Å; A71-N75 WeakPolarHBondContact O-CB 3.41Å; A71-N75 PolarHBondContact O-N 2.85Å; E73-N75 VanDerWaalsContact C-N 3.34Å; N75-N77 PolarHBondContact O-N 2.7Å; N75-N77 PolarHBondContact O-ND2 2.88Å
76	R	97.8	Very high	97.7	Very high	197 Å²	197	56 Å²	56	74%	0.743	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	12.6	-174.7	-58	179.6	173.8	-98.2	-0.6	115.6	V74 G99	V74-R76 PolarHBondContact O-N 3.02Å; R76-G99 PolarHBondContact N-O 3.09Å
77	N	98.3	Very high	97.7	Very high	32 Å²	32	52 Å²	52	17%	0.171	28%	0.278	C	S	.	.	S	Bend	trans	-121.5	174.4	-178.7	-71.6	-55.7	0	0	0	111.7	S55 V57 E73 V74 N75 A100 V101	S55-N77 VanDerWaalsContact CB-OD1 3.3Å; S55-N77 WeakPolarHBondContact CB-OD1 3.46Å; S55-N77 PolarHBondContact N-OD1 2.97Å; S55-N77 WeakPolarHBondContact O-CB 3.38Å; V57-N77 HydrophobicContact CG2-CB 3.78Å; E73-N77 PolarHBondContact O-ND2 3.07Å; V74-N77 WeakPolarHBondContact O-CA 3.47Å; V74-N77 WeakPolarHBondContact O-CB 3.38Å; V74-N77 PolarHBondContact O-N 2.73Å; N75-N77 PolarHBondContact O-N 2.7Å; N75-N77 PolarHBondContact O-ND2 2.88Å; N77-A100 WeakPolarHBondContact O-CA 3.44Å; N77-V101 WeakPolarHBondContact O-CG2 3.43Å; N77-V101 PolarHBondContact O-N 2.86Å
78	I	98.5	Very high	97.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.5	178	-55	173	0	0	0	108.3	F51 T54 S55 L56 V57 V101 A102 I104 V156 F158	F51-I78 HydrophobicContact CB-CD1 4.25Å; F51-I78 HydrophobicContact CD2-CD1 4.13Å; F51-I78 HydrophobicContact CG-CD1 4.31Å; T54-I78 HydrophobicContact CG2-CD1 4.35Å; T54-I78 HydrophobicContact CG2-CG1 4.04Å; S55-I78 PolarHBondContact O-N 3.06Å; L56-I78 WeakPolarHBondContact CA-O 3.34Å; L56-I78 HydrophobicContact CD1-CB 3.99Å; L56-I78 HydrophobicContact CD1-CG2 3.62Å; V57-I78 PolarHBondContact N-O 3.41Å; I78-V101 HydrophobicContact CG1-CG2 4.46Å; I78-A102 WeakPolarHBondContact CA-O 3.36Å; I78-A102 HydrophobicContact CG1-CB 4.28Å; I78-A102 HydrophobicContact CG2-CB 4.27Å; I78-I104 HydrophobicContact CG2-CD1 3.89Å; I78-I104 HydrophobicContact CG2-CG1 3.88Å; I78-V156 HydrophobicContact CD1-CG2 4.01Å; I78-F158 HydrophobicContact CD1-CB 4Å; I78-F158 HydrophobicContact CD1-CD1 4.03Å; I78-F158 HydrophobicContact CD1-CG 4.46Å
79	A	98.7	Very high	97.7	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.2	176.8	0	0	0	0	0	110.9	T59 V74 I81 A95 A100 A102 V103 I104	T59-A79 HydrophobicContact CG2-CB 3.74Å; V74-A79 HydrophobicContact CG1-CB 4.08Å; A79-I81 HydrophobicContact CB-CD1 4.21Å; A79-I81 HydrophobicContact CB-CG1 4.29Å; A79-A95 HydrophobicContact CB-CB 3.97Å; A79-A100 HydrophobicContact CB-CB 4.04Å; A79-A102 PolarHBondContact N-O 2.94Å; A79-V103 HydrophobicContact CB-CG2 4.29Å; A79-I104 PolarHBondContact O-N 2.97Å
80	L	98.7	Very high	97.7	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.6	171.2	-173.4	60.8	0	0	0	109.9	L56 V57 L58 T59 I104 Y106 I142 T143	L56-L80 HydrophobicContact CD1-CB 3.81Å; L56-L80 HydrophobicContact CD1-CD1 4.38Å; L56-L80 HydrophobicContact CD2-CD2 4.05Å; L56-L80 HydrophobicContact CG-CB 4Å; L56-L80 HydrophobicContact CG-CD2 4.24Å; V57-L80 PolarHBondContact O-N 3.14Å; L58-L80 HydrophobicContact CD2-CB 4.33Å; L58-L80 HydrophobicContact CD2-CD2 3.73Å; L58-L80 HydrophobicContact CD2-CG 4.28Å; T59-L80 PolarHBondContact N-O 2.97Å; L80-I104 WeakPolarHBondContact CA-O 3.35Å; L80-I104 HydrophobicContact CD1-CB 4.03Å; L80-I104 HydrophobicContact CD1-CG2 3.66Å; L80-Y106 HydrophobicContact CD1-CD1 3.72Å; L80-Y106 HydrophobicContact CD1-CE1 4.37Å; L80-Y106 HydrophobicContact CG-CD1 3.91Å; L80-Y106 HydrophobicContact CG-CE1 4.05Å; L80-I142 HydrophobicContact CD2-CG2 4.21Å; L80-T143 HydrophobicContact CD2-CG2 4.06Å
81	I	98.6	Very high	97.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.3	-169.6	-58.3	171.2	0	0	0	109.6	T59 P62 A64 A79 K91 A95 V103 I104 V105 Y106	T59-I81 HydrophobicContact CG2-CD1 4.24Å; T59-I81 HydrophobicContact CG2-CG1 3.58Å; P62-I81 WeakPolarHBondContact O-CG2 3.35Å; A64-I81 HydrophobicContact CB-CD1 3.82Å; A64-I81 HydrophobicContact CB-CG1 4.11Å; A64-I81 HydrophobicContact CB-CG2 3.92Å; A79-I81 HydrophobicContact CB-CD1 4.21Å; A79-I81 HydrophobicContact CB-CG1 4.29Å; I81-K91 HydrophobicContact CD1-CB 4.18Å; I81-K91 HydrophobicContact CG2-CB 4.31Å; I81-K91 HydrophobicContact CG2-CD 3.87Å; I81-K91 HydrophobicContact CG2-CG 4.07Å; I81-A95 HydrophobicContact CD1-CB 4.05Å; I81-V103 HydrophobicContact CD1-CG1 3.86Å; I81-V103 HydrophobicContact CD1-CG2 4.39Å; I81-I104 PolarHBondContact N-O 2.92Å; I81-V105 HydrophobicContact CB-CG2 4.4Å; I81-V105 CarbonylContact O-C 3.56Å; I81-V105 VanDerWaalsContact O-CA 3.23Å; I81-V105 WeakPolarHBondContact O-CA 3.23Å; I81-Y106 WeakPolarHBondContact O-CD1 3.47Å; I81-Y106 PolarHBondContact O-N 2.97Å
82	I	98	Very high	97.7	Very high	21 Å²	21	41 Å²	41	11%	0.108	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	139.8	174	-161.7	174.7	0	0	0	111.1	P62 H63 K91 Y106 F108	P62-I82 HydrophobicContact CB-CG2 3.9Å; P62-I82 WeakPolarHBondContact O-CG2 3.2Å; P62-I82 PolarHBondContact O-N 2.83Å; H63-I82 WeakPolarHBondContact CE1-CG2 3.41Å; H63-I82 WeakPolarHBondContact ND1-CG2 3.44Å; I82-K91 PolarHBondContact O-NZ 2.92Å; I82-Y106 HydrophobicContact CB-CD1 4.48Å; I82-Y106 HydrophobicContact CB-CE1 3.78Å; I82-Y106 HydrophobicContact CB-CE2 4.08Å; I82-Y106 HydrophobicContact CD1-CE2 3.89Å; I82-Y106 HydrophobicContact CG1-CD2 4.21Å; I82-Y106 HydrophobicContact CG1-CE1 4.23Å; I82-Y106 HydrophobicContact CG1-CE2 3.6Å; I82-F108 HydrophobicContact CD1-CB 3.95Å; I82-F108 HydrophobicContact CG1-CB 3.95Å
83	R	97.5	Very high	97.7	Very high	84 Å²	84	34.3 Å²	34.3	32%	0.317	19%	0.191	S	C	.	.	S	Bend	trans	-62.1	146.9	173.2	-176.5	-177.3	172.8	-144.9	-3.9	110.7	F88 V105 Y106 D107 F108	R83-F88 HydrophobicContact CG-CE1 4.12Å; R83-F88 HydrophobicContact CG-CZ 4.4Å; R83-V105 HydrophobicContact CB-CG1 4.03Å; R83-Y106 VanDerWaalsContact CB-O 3.26Å; R83-Y106 WeakPolarHBondContact CB-O 3.47Å; R83-Y106 PolarHBondContact N-O 2.8Å; R83-D107 WeakPolarHBondContact CD-OD2 3.38Å; R83-D107 IonicContact CZ-OD2 3.75Å; R83-D107 IonicContact NH1-OD1 3.93Å; R83-D107 IonicContact NH1-OD2 2.76Å; R83-D107 PolarHBondContact NH1-OD2 2.97Å; R83-F108 HydrophobicContact CB-CD1 4.32Å; R83-F108 HydrophobicContact CG-CD1 4.31Å
84	G	95.7	Very high	97.7	Very high	26 Å²	26	34.4 Å²	34.4	27%	0.268	19%	0.192	S	C	.	.			trans	110.8	169.5	177.1	0	0	0	0	0	113.7	C86 K91	G84-C86 PolarHBondContact O-N 3.41Å; G84-K91 WeakPolarHBondContact O-CE 3.2Å; G84-K91 PolarHBondContact O-NZ 3.27Å
85	G	95.5	Very high	97.8	Very high	81 Å²	81	34.4 Å²	34.4	84%	0.835	19%	0.192	S	C	*	.	S	Bend	trans	78.8	-41.6	-179.8	0	0	0	0	0	115.3
86	C	96.7	Very high	97.8	Very high	37 Å²	37	33.7 Å²	33.7	25%	0.25	19%	0.186	C	C	.	.	S	Bend	trans	-155	172.9	-178.4	54.1	0	0	0	0	111.7	C65 G84 T90 K91	C65-C86 WeakPolarHBondContact CA-SG 3.4Å; C65-C86 HydrophobicContact CB-CB 3.73Å; C65-C86 WeakPolarHBondContact CB-SG 3.38Å; C65-C86 WeakPolarHBondContact SG-CB 3.48Å; C65-C86 PolarHBondContact SG-N 3.42Å; C65-C86 CovalentContact SG-SG 2.05Å; C65-C86 PolarHBondContact SG-SG 3Å; G84-C86 PolarHBondContact O-N 3.41Å; C86-T90 HydrophobicContact CB-CG2 4.16Å; C86-K91 WeakPolarHBondContact O-CE 3.5Å
87	S	96.9	Very high	97.8	Very high	37 Å²	37	28.9 Å²	28.9	26%	0.259	18%	0.178	S	C	.	.			trans	-64.9	156.8	179.1	72.3	0	0	0	0	112.9	V89 T90 K91 D121	S87-V89 PolarHBondContact O-N 2.94Å; S87-T90 PolarHBondContact O-N 3.28Å; S87-T90 PolarHBondContact OG-N 2.91Å; S87-T90 PolarHBondContact OG-OG1 2.78Å; S87-K91 WeakPolarHBondContact O-CG 3.46Å; S87-K91 PolarHBondContact O-N 3.23Å; S87-D121 VanDerWaalsContact CB-OD2 3.29Å; S87-D121 WeakPolarHBondContact CB-OD2 3.32Å; S87-D121 PolarHBondContact OG-OD2 2.69Å
88	F	97.4	Very high	97.8	Very high	33 Å²	33	27.9 Å²	27.9	15%	0.145	18%	0.175	C	C	.	.	H	α-helix	trans	-60.3	-34.5	174.1	-62.9	-54.9	0	0	0	112.6	I43 R83 K91 A92 V105 M118 F133	I43-F88 HydrophobicContact CD1-CB 3.78Å; R83-F88 HydrophobicContact CG-CE1 4.12Å; R83-F88 HydrophobicContact CG-CZ 4.4Å; F88-K91 HydrophobicContact CD1-CD 4.47Å; F88-K91 PolarHBondContact O-N 3.37Å; F88-A92 WeakPolarHBondContact O-CB 3.26Å; F88-A92 PolarHBondContact O-N 2.82Å; F88-V105 HydrophobicContact CD1-CG1 4.19Å; F88-V105 HydrophobicContact CD1-CG2 4.39Å; F88-V105 HydrophobicContact CE1-CG1 3.93Å; F88-M118 HydrophobicContact CB-CB 4.41Å; F88-M118 HydrophobicContact CB-CE 3.71Å; F88-M118 HydrophobicContact CD1-CE 3.83Å; F88-M118 HydrophobicContact CD1-CG 4.23Å; F88-M118 HydrophobicContact CD2-CB 3.99Å; F88-M118 HydrophobicContact CD2-CG 4.21Å; F88-M118 HydrophobicContact CE1-CG 4.39Å; F88-M118 HydrophobicContact CE2-CB 4.43Å; F88-M118 HydrophobicContact CE2-CG 4.36Å; F88-M118 HydrophobicContact CG-CB 4.16Å; F88-M118 HydrophobicContact CG-CE 3.91Å; F88-M118 HydrophobicContact CG-CG 4.14Å; F88-M118 HydrophobicContact CZ-CG 4.45Å; F88-F133 HydrophobicContact CE1-CD2 4.18Å; F88-F133 AromaticContact CE1-CE2 3.9Å; F88-F133 HydrophobicContact CE1-CE2 3.9Å; F88-F133 HydrophobicContact CZ-CD2 4.28Å; F88-F133 AromaticContact CZ-CE2 3.96Å; F88-F133 HydrophobicContact CZ-CE2 3.96Å
89	V	97.4	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-48.9	176.4	-179.8	0	0	0	0	110.8	I43 S87 K91 A92 I93 D121 R125 V127	I43-V89 HydrophobicContact CG2-CG2 4.46Å; S87-V89 PolarHBondContact O-N 2.94Å; V89-K91 VanDerWaalsContact C-N 3.34Å; V89-K91 PolarHBondContact O-N 2.98Å; V89-A92 PolarHBondContact O-N 2.96Å; V89-I93 HydrophobicContact CG1-CD1 3.73Å; V89-I93 HydrophobicContact CG1-CG1 4.47Å; V89-I93 VanDerWaalsContact O-CG1 3.31Å; V89-I93 WeakPolarHBondContact O-CG1 3.33Å; V89-I93 PolarHBondContact O-N 3.3Å; V89-D121 WeakPolarHBondContact CB-OD2 3.16Å; V89-D121 HydrophobicContact CG2-CB 4.25Å; V89-R125 HydrophobicContact CG1-CB 3.96Å; V89-V127 HydrophobicContact CB-CG2 4.42Å; V89-V127 HydrophobicContact CG1-CG2 4.02Å
90	T	97.7	Very high	97.8	Very high	24 Å²	24	29.1 Å²	29.1	15%	0.147	19%	0.187	C	C	.	.	H	α-helix	trans	-58.6	-45.9	176.8	-65.3	0	0	0	0	111.4	C86 S87 A92 I93 N94 R125	C86-T90 HydrophobicContact CB-CG2 4.16Å; S87-T90 PolarHBondContact O-N 3.28Å; S87-T90 PolarHBondContact OG-N 2.91Å; S87-T90 PolarHBondContact OG-OG1 2.78Å; T90-A92 VanDerWaalsContact C-N 3.34Å; T90-A92 PolarHBondContact O-N 3.27Å; T90-I93 PolarHBondContact O-N 3.1Å; T90-N94 WeakPolarHBondContact O-CB 3.44Å; T90-N94 PolarHBondContact O-N 2.9Å; T90-N94 PolarHBondContact O-ND2 2.8Å; T90-R125 PolarHBondContact OG1-NH1 3.08Å; T90-R125 VanDerWaalsContact OG1-NH1 3.12Å; T90-R125 PolarHBondContact OG1-NH2 2.85Å
91	K	98.3	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-57.2	-48	177.2	-66.7	171.3	-174.5	-69.3	0	111.7	H63 I81 I82 G84 C86 S87 F88 V89 N94 A95 V105	H63-K91 PolarHBondContact O-NZ 2.92Å; I81-K91 HydrophobicContact CD1-CB 4.18Å; I81-K91 HydrophobicContact CG2-CB 4.31Å; I81-K91 HydrophobicContact CG2-CD 3.87Å; I81-K91 HydrophobicContact CG2-CG 4.07Å; I82-K91 PolarHBondContact O-NZ 2.92Å; G84-K91 WeakPolarHBondContact O-CE 3.2Å; G84-K91 PolarHBondContact O-NZ 3.27Å; C86-K91 WeakPolarHBondContact O-CE 3.5Å; S87-K91 WeakPolarHBondContact O-CG 3.46Å; S87-K91 PolarHBondContact O-N 3.23Å; F88-K91 HydrophobicContact CD1-CD 4.47Å; F88-K91 PolarHBondContact O-N 3.37Å; V89-K91 VanDerWaalsContact C-N 3.34Å; V89-K91 PolarHBondContact O-N 2.98Å; K91-N94 PolarHBondContact O-N 2.85Å; K91-A95 WeakPolarHBondContact O-CB 3.23Å; K91-A95 PolarHBondContact O-N 2.81Å; K91-V105 HydrophobicContact CD-CG2 4.42Å
92	A	98.1	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.4	-36.9	-176.9	0	0	0	0	0	112.7	I43 F88 V89 T90 H96 V127	I43-A92 HydrophobicContact CD1-CB 4.16Å; F88-A92 WeakPolarHBondContact O-CB 3.26Å; F88-A92 PolarHBondContact O-N 2.82Å; V89-A92 PolarHBondContact O-N 2.96Å; T90-A92 VanDerWaalsContact C-N 3.34Å; T90-A92 PolarHBondContact O-N 3.27Å; A92-H96 WeakPolarHBondContact O-CB 3.32Å; A92-H96 PolarHBondContact O-N 3.01Å; A92-V127 HydrophobicContact CB-CB 4.4Å; A92-V127 HydrophobicContact CB-CG1 3.48Å; A92-V127 VanDerWaalsContact CB-CG1 3.48Å; A92-V127 HydrophobicContact CB-CG2 3.99Å
93	I	98	Very high	97.7	Very high	41 Å²	41	30.2 Å²	30.2	21%	0.21	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-47	174.8	-69.5	169.8	0	0	0	110.7	V89 T90 A95 H96 V97 R125	V89-I93 HydrophobicContact CG1-CD1 3.73Å; V89-I93 HydrophobicContact CG1-CG1 4.47Å; V89-I93 VanDerWaalsContact O-CG1 3.31Å; V89-I93 WeakPolarHBondContact O-CG1 3.33Å; V89-I93 PolarHBondContact O-N 3.3Å; T90-I93 PolarHBondContact O-N 3.1Å; I93-A95 VanDerWaalsContact C-N 3.31Å; I93-A95 PolarHBondContact O-N 3.45Å; I93-H96 WeakPolarHBondContact O-CB 3.36Å; I93-H96 PolarHBondContact O-N 2.72Å; I93-H96 VanDerWaalsContact O-N 3.12Å; I93-V97 HydrophobicContact CG2-CG2 4.41Å; I93-V97 WeakPolarHBondContact O-CG2 3.37Å; I93-V97 PolarHBondContact O-N 2.82Å; I93-R125 HydrophobicContact CD1-CB 3.64Å; I93-R125 HydrophobicContact CD1-CG 4.39Å
94	N	98.4	Very high	97.8	Very high	25 Å²	25	26.2 Å²	26.2	13%	0.134	18%	0.18	C	C	.	.	H	α-helix	trans	-63.4	-39.1	179.5	-71.1	-15.9	0	0	0	111.8	A64 C65 E66 T90 K91 V97 A98	A64-N94 PolarHBondContact O-ND2 2.85Å; C65-N94 VanDerWaalsContact C-ND2 3.3Å; C65-N94 PolarHBondContact O-ND2 3.4Å; E66-N94 PolarHBondContact O-ND2 3.21Å; T90-N94 WeakPolarHBondContact O-CB 3.44Å; T90-N94 PolarHBondContact O-N 2.9Å; T90-N94 PolarHBondContact O-ND2 2.8Å; K91-N94 PolarHBondContact O-N 2.85Å; N94-V97 PolarHBondContact O-N 2.77Å; N94-A98 PolarHBondContact O-N 3.21Å
95	A	98.6	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63	-42.5	171.8	0	0	0	0	0	112.6	I68 A79 I81 K91 I93 A98 G99 A100 V103 I129	I68-A95 HydrophobicContact CD1-CB 4.22Å; A79-A95 HydrophobicContact CB-CB 3.97Å; I81-A95 HydrophobicContact CD1-CB 4.05Å; K91-A95 WeakPolarHBondContact O-CB 3.23Å; K91-A95 PolarHBondContact O-N 2.81Å; I93-A95 VanDerWaalsContact C-N 3.31Å; I93-A95 PolarHBondContact O-N 3.45Å; A95-A98 PolarHBondContact O-N 2.76Å; A95-G99 PolarHBondContact O-N 3.18Å; A95-A100 HydrophobicContact CB-CB 3.99Å; A95-A100 WeakPolarHBondContact O-CB 3.32Å; A95-A100 PolarHBondContact O-N 2.85Å; A95-V103 HydrophobicContact CB-CG2 3.38Å; A95-I129 HydrophobicContact CB-CD1 4.32Å
96	H	98.3	Very high	98	Very high	65 Å²	65	22 Å²	22	30%	0.301	13%	0.131	S	C	.	.	H	α-helix	trans	-61.6	-44.4	175.7	-178.1	52.1	0	0	0	112.2	A92 I93 A98 G99 Q128 I129	A92-H96 WeakPolarHBondContact O-CB 3.32Å; A92-H96 PolarHBondContact O-N 3.01Å; I93-H96 WeakPolarHBondContact O-CB 3.36Å; I93-H96 PolarHBondContact O-N 2.72Å; I93-H96 VanDerWaalsContact O-N 3.12Å; H96-A98 PolarHBondContact O-N 2.73Å; H96-G99 WeakPolarHBondContact O-CA 3.48Å; H96-G99 PolarHBondContact O-N 3.08Å; H96-Q128 PolarHBondContact CD2-OE1 2.88Å; H96-Q128 PolarHBondContact NE2-OE1 2.92Å; H96-I129 HydrophobicContact CB-CD1 3.88Å; H96-I129 HydrophobicContact CB-CG1 4.18Å; H96-I129 HydrophobicContact CB-CG2 4.39Å; H96-I129 VanDerWaalsContact ND1-CG2 3.33Å; H96-I129 WeakPolarHBondContact ND1-CG2 3.32Å
97	V	98.2	Very high	98	Very high	96 Å²	96	20.4 Å²	20.4	58%	0.582	12%	0.12	S	C	*	.	H	α-helix	trans	-60.6	-35.6	175.8	170.9	0	0	0	0	111.4	L67 I93 N94 G99	L67-V97 HydrophobicContact CD2-CG1 4.19Å; I93-V97 HydrophobicContact CG2-CG2 4.41Å; I93-V97 WeakPolarHBondContact O-CG2 3.37Å; I93-V97 PolarHBondContact O-N 2.82Å; N94-V97 PolarHBondContact O-N 2.77Å; V97-G99 PolarHBondContact O-N 2.91Å
98	A	98.3	Very high	98	Very high	12 Å²	12	24.2 Å²	24.2	10%	0.099	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-1.9	173.3	0	0	0	0	0	114.2	I68 A71 V74 N94 A95 H96	I68-A98 HydrophobicContact CB-CB 3.98Å; I68-A98 HydrophobicContact CD1-CB 3.96Å; I68-A98 HydrophobicContact CG1-CB 4.46Å; I68-A98 HydrophobicContact CG2-CB 4.46Å; A71-A98 HydrophobicContact CB-CB 3.9Å; V74-A98 HydrophobicContact CB-CB 4.46Å; V74-A98 HydrophobicContact CG1-CB 4.08Å; N94-A98 PolarHBondContact O-N 3.21Å; A95-A98 PolarHBondContact O-N 2.76Å; H96-A98 PolarHBondContact O-N 2.73Å
99	G	98.3	Very high	97.9	Very high	22 Å²	22	26.4 Å²	26.4	23%	0.227	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.9	12.8	178.4	0	0	0	0	0	114.8	R76 A95 H96 V97	R76-G99 PolarHBondContact N-O 3.09Å; A95-G99 PolarHBondContact O-N 3.18Å; H96-G99 WeakPolarHBondContact O-CA 3.48Å; H96-G99 PolarHBondContact O-N 3.08Å; V97-G99 PolarHBondContact O-N 2.91Å
100	A	98.4	Very high	97.8	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.033	17%	0.173	C	C	.	.			trans	-61.2	144.4	175.8	0	0	0	0	0	111.3	V74 N77 A79 A95 I129	V74-A100 HydrophobicContact CG1-CB 3.65Å; N77-A100 WeakPolarHBondContact O-CA 3.44Å; A79-A100 HydrophobicContact CB-CB 4.04Å; A95-A100 HydrophobicContact CB-CB 3.99Å; A95-A100 WeakPolarHBondContact O-CB 3.32Å; A95-A100 PolarHBondContact O-N 2.85Å; A100-I129 HydrophobicContact CB-CD1 4.06Å
101	V	98	Very high	97.6	Very high	47 Å²	47	41.3 Å²	41.3	29%	0.285	20%	0.204	S	C	.	.	S	Bend	trans	-93.7	-20.1	176.1	-66.7	0	0	0	0	113.1	F51 N77 I78 P130	F51-V101 HydrophobicContact CD1-CG2 3.96Å; F51-V101 HydrophobicContact CE1-CB 3.79Å; F51-V101 HydrophobicContact CE1-CG2 3.5Å; F51-V101 HydrophobicContact CZ-CB 4.12Å; F51-V101 HydrophobicContact CZ-CG2 3.98Å; N77-V101 WeakPolarHBondContact O-CG2 3.43Å; N77-V101 PolarHBondContact O-N 2.86Å; I78-V101 HydrophobicContact CG1-CG2 4.46Å; V101-P130 WeakPolarHBondContact O-CD 3.35Å
102	A	98	Very high	97.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	163.1	173.9	0	0	0	0	0	110	F47 F51 I78 A79 P130	F47-A102 HydrophobicContact CE1-CB 3.97Å; F47-A102 HydrophobicContact CZ-CB 4.5Å; F51-A102 HydrophobicContact CE2-CB 3.8Å; F51-A102 HydrophobicContact CZ-CB 4.13Å; I78-A102 WeakPolarHBondContact CA-O 3.36Å; I78-A102 HydrophobicContact CG1-CB 4.28Å; I78-A102 HydrophobicContact CG2-CB 4.27Å; A79-A102 PolarHBondContact N-O 2.94Å; A102-P130 WeakPolarHBondContact CA-O 3.21Å; A102-P130 HydrophobicContact CB-CG 4Å
103	V	98.3	Very high	97	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.1	178	168.3	0	0	0	0	110.3	A79 I81 A95 V105 I129 P130 C131 A132	A79-V103 HydrophobicContact CB-CG2 4.29Å; I81-V103 HydrophobicContact CD1-CG1 3.86Å; I81-V103 HydrophobicContact CD1-CG2 4.39Å; A95-V103 HydrophobicContact CB-CG2 3.38Å; V103-V105 HydrophobicContact CG1-CG2 3.74Å; V103-I129 HydrophobicContact CG2-CD1 3.56Å; V103-I129 HydrophobicContact CG2-CG1 4.33Å; V103-P130 PolarHBondContact N-O 2.95Å; V103-C131 CarbonylContact O-C 3.55Å; V103-C131 VanDerWaalsContact O-CA 3.32Å; V103-C131 WeakPolarHBondContact O-CA 3.3Å; V103-A132 PolarHBondContact O-N 3.02Å
104	I	98.3	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.7	166.4	-64.6	176.4	0	0	0	107.7	L24 L38 L56 I78 A79 L80 I81 A132 M134 F158	L24-I104 HydrophobicContact CD1-CD1 3.99Å; L24-I104 HydrophobicContact CD2-CD1 4.28Å; L38-I104 HydrophobicContact CD2-CB 4.37Å; L38-I104 HydrophobicContact CD2-CD1 3.8Å; L38-I104 HydrophobicContact CD2-CG1 3.89Å; L38-I104 HydrophobicContact CD2-CG2 3.61Å; L56-I104 HydrophobicContact CD1-CB 4.48Å; L56-I104 HydrophobicContact CD1-CD1 3.92Å; I78-I104 HydrophobicContact CG2-CD1 3.89Å; I78-I104 HydrophobicContact CG2-CG1 3.88Å; A79-I104 PolarHBondContact O-N 2.97Å; L80-I104 WeakPolarHBondContact CA-O 3.35Å; L80-I104 HydrophobicContact CD1-CB 4.03Å; L80-I104 HydrophobicContact CD1-CG2 3.66Å; I81-I104 PolarHBondContact N-O 2.92Å; I104-A132 WeakPolarHBondContact CA-O 3.31Å; I104-A132 HydrophobicContact CG1-CB 4.47Å; I104-M134 HydrophobicContact CG2-CB 4.01Å; I104-M134 HydrophobicContact CG2-CE 4.17Å; I104-F158 HydrophobicContact CD1-CD1 4.13Å; I104-F158 HydrophobicContact CD1-CE1 3.95Å; I104-F158 HydrophobicContact CD1-CZ 4.23Å; I104-F158 HydrophobicContact CG1-CE1 4.11Å; I104-F158 HydrophobicContact CG1-CZ 4.44Å
105	V	98.4	Very high	96.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.7	172.9	-175.6	0	0	0	0	109.3	I81 R83 F88 K91 V103 M118 A132 F133 M134	I81-V105 HydrophobicContact CB-CG2 4.4Å; I81-V105 CarbonylContact O-C 3.56Å; I81-V105 VanDerWaalsContact O-CA 3.23Å; I81-V105 WeakPolarHBondContact O-CA 3.23Å; R83-V105 HydrophobicContact CB-CG1 4.03Å; F88-V105 HydrophobicContact CD1-CG1 4.19Å; F88-V105 HydrophobicContact CD1-CG2 4.39Å; F88-V105 HydrophobicContact CE1-CG1 3.93Å; K91-V105 HydrophobicContact CD-CG2 4.42Å; V103-V105 HydrophobicContact CG1-CG2 3.74Å; V105-M118 HydrophobicContact CB-CE 4.22Å; V105-M118 HydrophobicContact CB-SD 4.41Å; V105-M118 HydrophobicContact CG2-CE 3.55Å; V105-M118 HydrophobicContact CG2-SD 4.29Å; V105-A132 PolarHBondContact N-O 2.92Å; V105-F133 HydrophobicContact CB-CD2 4.17Å; V105-F133 HydrophobicContact CB-CE2 4.47Å; V105-F133 HydrophobicContact CG1-CD2 4.34Å; V105-F133 HydrophobicContact CG1-CE2 4.15Å; V105-F133 CarbonylContact O-C 3.11Å; V105-F133 WeakPolarHBondContact O-CA 3.34Å; V105-M134 PolarHBondContact O-N 3.25Å
106	Y	98	Very high	95.6	Very high	18 Å²	18	55.7 Å²	55.7	7%	0.071	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	150	174.3	71.9	-82.5	0	0	0	112.3	L80 I81 I82 R83 M134 H140 T143	L80-Y106 HydrophobicContact CD1-CD1 3.72Å; L80-Y106 HydrophobicContact CD1-CE1 4.37Å; L80-Y106 HydrophobicContact CG-CD1 3.91Å; L80-Y106 HydrophobicContact CG-CE1 4.05Å; I81-Y106 WeakPolarHBondContact O-CD1 3.47Å; I81-Y106 PolarHBondContact O-N 2.97Å; I82-Y106 HydrophobicContact CB-CD1 4.48Å; I82-Y106 HydrophobicContact CB-CE1 3.78Å; I82-Y106 HydrophobicContact CB-CE2 4.08Å; I82-Y106 HydrophobicContact CD1-CE2 3.89Å; I82-Y106 HydrophobicContact CG1-CD2 4.21Å; I82-Y106 HydrophobicContact CG1-CE1 4.23Å; I82-Y106 HydrophobicContact CG1-CE2 3.6Å; R83-Y106 VanDerWaalsContact CB-O 3.26Å; R83-Y106 WeakPolarHBondContact CB-O 3.47Å; R83-Y106 PolarHBondContact N-O 2.8Å; Y106-M134 VanDerWaalsContact CA-O 3.3Å; Y106-M134 WeakPolarHBondContact CA-O 3.14Å; Y106-H140 AromaticContact CE2-CD2 3.91Å; Y106-H140 AromaticContact CE2-CE1 3.85Å; Y106-H140 AromaticContact CE2-NE2 3.7Å; Y106-T143 HydrophobicContact CE1-CG2 4.09Å; Y106-T143 HydrophobicContact CE2-CG2 4.45Å
107	D	97.3	Very high	95	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.027	28%	0.28	C	S	.	.			trans	-66.6	139.7	179.9	-155.9	-63.9	0	0	0	112.1	R83 N109 A112 F133 M134 G136 H140	R83-D107 WeakPolarHBondContact CD-OD2 3.38Å; R83-D107 IonicContact CZ-OD2 3.75Å; R83-D107 IonicContact NH1-OD1 3.93Å; R83-D107 IonicContact NH1-OD2 2.76Å; R83-D107 PolarHBondContact NH1-OD2 2.97Å; D107-N109 PolarHBondContact O-N 3.26Å; D107-N109 WeakPolarHBondContact OD1-CB 3.3Å; D107-N109 PolarHBondContact OD1-N 3.5Å; D107-A112 HydrophobicContact CB-CB 4.2Å; D107-F133 HydrophobicContact CB-CE1 4.33Å; D107-F133 HydrophobicContact CB-CZ 3.97Å; D107-M134 PolarHBondContact N-O 3.11Å; D107-G136 VanDerWaalsContact O-CA 3.3Å; D107-G136 WeakPolarHBondContact O-CA 3.48Å; D107-H140 PolarHBondContact O-CD2 2.76Å; D107-H140 PolarHBondContact O-NE2 2.98Å
108	F	95.7	Very high	94.6	Very high	117 Å²	117	50.9 Å²	50.9	51%	0.513	25%	0.252	S	S	.	.	S	Bend	trans	-67.5	-24.7	176.7	67.6	-92.9	0	0	0	112.3	I82 R83 R110 H140	I82-F108 HydrophobicContact CD1-CB 3.95Å; I82-F108 HydrophobicContact CG1-CB 3.95Å; R83-F108 HydrophobicContact CB-CD1 4.32Å; R83-F108 HydrophobicContact CG-CD1 4.31Å; F108-R110 PolarHBondContact O-N 2.86Å; F108-H140 PolarHBondContact O-NE2 3.34Å
109	N	95.8	Very high	94.2	Very high	78 Å²	78	56 Å²	56	42%	0.417	28%	0.277	S	S	.	.			trans	-77.9	105.9	177.6	-178.7	-3.9	0	0	0	111.2	D107 K111 A112 G136	D107-N109 PolarHBondContact O-N 3.26Å; D107-N109 WeakPolarHBondContact OD1-CB 3.3Å; D107-N109 PolarHBondContact OD1-N 3.5Å; N109-K111 PolarHBondContact O-N 3.45Å; N109-K111 PolarHBondContact OD1-N 3.27Å; N109-A112 HydrophobicContact CB-CB 4.09Å; N109-A112 WeakPolarHBondContact O-CB 3.33Å; N109-A112 PolarHBondContact O-N 3.22Å; N109-G136 WeakPolarHBondContact O-CA 3.4Å
110	R	95.1	Very high	93.9	Very high	158 Å²	158	58.5 Å²	58.5	60%	0.596	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-24.8	176.7	-71.3	177.5	179.3	-105.6	2	115.4	F108 K137 H140	F108-R110 PolarHBondContact O-N 2.86Å; R110-K137 VanDerWaalsContact O-CA 3.3Å; R110-K137 WeakPolarHBondContact O-CA 3.41Å; R110-H140 HydrophobicContact CG-CB 4.03Å; R110-H140 VanDerWaalsContact CG-CG 3.44Å; R110-H140 WeakPolarHBondContact CG-ND1 3.3Å
111	K	93.3	Very high	93.6	Very high	180 Å²	180	59.9 Å²	59.9	78%	0.783	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-6.6	-178.3	-61.5	-175.9	-178.8	-179.3	0	113.5	N109 I113	N109-K111 PolarHBondContact O-N 3.45Å; N109-K111 PolarHBondContact OD1-N 3.27Å; K111-I113 PolarHBondContact O-N 2.95Å
112	A	92.8	Very high	93.3	Very high	17 Å²	17	65 Å²	65	14%	0.14	32%	0.315	C	S	.	.			trans	-68.2	122.1	-179.2	0	0	0	0	0	110.6	D107 N109 N135 G136 K137	D107-A112 HydrophobicContact CB-CB 4.2Å; N109-A112 HydrophobicContact CB-CB 4.09Å; N109-A112 WeakPolarHBondContact O-CB 3.33Å; N109-A112 PolarHBondContact O-N 3.22Å; A112-N135 WeakPolarHBondContact O-CB 3.38Å; A112-N135 PolarHBondContact O-OD1 2.89Å; A112-G136 PolarHBondContact O-N 3.39Å; A112-G136 VanDerWaalsContact O-N 3.11Å; A112-K137 PolarHBondContact O-N 2.67Å
113	I	91.2	Very high	93	Very high	94 Å²	94	67.9 Å²	67.9	48%	0.482	33%	0.333	S	S	.	.			trans	-103.2	-13.7	177.6	60	170.8	0	0	0	112.9	K111 N135 K137	K111-I113 PolarHBondContact O-N 2.95Å; I113-N135 PolarHBondContact O-ND2 2.93Å; I113-K137 HydrophobicContact CG2-CD 4.02Å
114	H	89.3	Confident	92.6	Very high	132 Å²	132	73 Å²	73	61%	0.611	37%	0.369	S	S	*	.			trans	-90.9	146.2	179.3	-60.1	-65.4	0	0	0	111	N135	H114-N135 WeakPolarHBondContact O-CB 3.48Å
115	T	88.2	Confident	92.4	Very high	28 Å²	28	77.1 Å²	77.1	17%	0.172	38%	0.384	C	S	.	.			trans	-97.2	156.2	168.6	53.9	0	0	0	0	109.8	S39 F133 N135	S39-T115 VanDerWaalsContact OG-CB 3.26Å; S39-T115 WeakPolarHBondContact OG-CB 3.26Å; S39-T115 PolarHBondContact OG-OG1 2.7Å; T115-F133 HydrophobicContact CG2-CD1 4.46Å; T115-N135 HydrophobicContact CG2-CB 4.18Å
116	F	87.8	Confident	92.2	Very high	96 Å²	96	87.3 Å²	87.3	42%	0.421	42%	0.423	S	S	.	.			trans	-121.6	155	175.5	-56.4	-69	0	0	0	109.7	F133	F116-F133 HydrophobicContact CB-CD1 4.42Å; F116-F133 HydrophobicContact CB-CE1 4.37Å; F116-F133 HydrophobicContact CD2-CD1 4.47Å; F116-F133 AromaticContact CD2-CE1 3.66Å; F116-F133 HydrophobicContact CD2-CE1 3.66Å; F116-F133 AromaticContact CD2-CZ 3.83Å; F116-F133 HydrophobicContact CD2-CZ 3.83Å; F116-F133 HydrophobicContact CE2-CE1 4.45Å; F116-F133 HydrophobicContact CG-CE1 4.44Å; F116-F133 VanDerWaalsContact N-CD1 3.34Å; F116-F133 VanDerWaalsContact O-CB 3.26Å; F116-F133 WeakPolarHBondContact O-CB 3.26Å
117	S	85.7	Confident	92.2	Very high	60 Å²	60	86.7 Å²	86.7	42%	0.42	42%	0.421	S	S	.	.			trans	-73.3	129.5	165.5	-167.6	0	0	0	0	109.2	Q42 I119	Q42-S117 VanDerWaalsContact CG-OG 3.32Å; Q42-S117 WeakPolarHBondContact CG-OG 3.22Å; S117-I119 PolarHBondContact O-N 2.9Å
118	M	91.1	Very high	92.2	Very high	0 Å²	0	92.4 Å²	92.4	0%	0	45%	0.447	C	S	.	.			trans	-74.3	119.2	170.9	-63.3	168.1	68.8	0	0	108	Q42 I43 F88 V105 C131 F133	Q42-M118 PolarHBondContact N-O 2.97Å; I43-M118 HydrophobicContact CD1-CB 4.43Å; I43-M118 HydrophobicContact CD1-CE 3.69Å; I43-M118 HydrophobicContact CG2-CB 4.36Å; I43-M118 WeakPolarHBondContact CG2-O 3.36Å; F88-M118 HydrophobicContact CB-CB 4.41Å; F88-M118 HydrophobicContact CB-CE 3.71Å; F88-M118 HydrophobicContact CD1-CE 3.83Å; F88-M118 HydrophobicContact CD1-CG 4.23Å; F88-M118 HydrophobicContact CD2-CB 3.99Å; F88-M118 HydrophobicContact CD2-CG 4.21Å; F88-M118 HydrophobicContact CE1-CG 4.39Å; F88-M118 HydrophobicContact CE2-CB 4.43Å; F88-M118 HydrophobicContact CE2-CG 4.36Å; F88-M118 HydrophobicContact CG-CB 4.16Å; F88-M118 HydrophobicContact CG-CE 3.91Å; F88-M118 HydrophobicContact CG-CG 4.14Å; F88-M118 HydrophobicContact CZ-CG 4.45Å; V105-M118 HydrophobicContact CB-CE 4.22Å; V105-M118 HydrophobicContact CB-SD 4.41Å; V105-M118 HydrophobicContact CG2-CE 3.55Å; V105-M118 HydrophobicContact CG2-SD 4.29Å; M118-C131 HydrophobicContact CE-CB 3.86Å; M118-C131 HydrophobicContact SD-CB 3.96Å; M118-F133 HydrophobicContact CG-CB 4.01Å; M118-F133 HydrophobicContact CG-CD2 3.94Å; M118-F133 HydrophobicContact CG-CG 4.41Å; M118-F133 HydrophobicContact SD-CB 4.18Å; M118-F133 HydrophobicContact SD-CD2 4.41Å
119	I	90.1	Very high	92.2	Very high	119 Å²	119	87.3 Å²	87.3	61%	0.61	43%	0.425	S	S	*	.			trans	-106.2	155.6	-180	63.1	170.6	0	0	0	111.5	I43 S117	I43-I119 VanDerWaalsContact CG2-O 3.28Å; I43-I119 WeakPolarHBondContact CG2-O 3.46Å; S117-I119 PolarHBondContact O-N 2.9Å
120	Q	91.6	Very high	92.3	Very high	76 Å²	76	84.3 Å²	84.3	36%	0.355	41%	0.41	S	S	.	.			trans	-68	151.4	179.2	-171.1	65.1	-6.8	0	0	110.8	I43 R125	I43-Q120 HydrophobicContact CG2-CB 4.45Å; Q120-R125 PolarHBondContact NE2-O 2.97Å
121	D	91.8	Very high	92.4	Very high	33 Å²	33	76.8 Å²	76.8	18%	0.176	38%	0.382	C	S	.	.			trans	-92.2	179.6	169.4	66.2	14.4	0	0	0	111.8	S87 V89 T123 R125	S87-D121 VanDerWaalsContact CB-OD2 3.29Å; S87-D121 WeakPolarHBondContact CB-OD2 3.32Å; S87-D121 PolarHBondContact OG-OD2 2.69Å; V89-D121 WeakPolarHBondContact CB-OD2 3.16Å; V89-D121 HydrophobicContact CG2-CB 4.25Å; D121-T123 PolarHBondContact O-N 2.95Å; D121-T123 WeakPolarHBondContact OD1-CB 3.33Å; D121-T123 PolarHBondContact OD1-N 2.88Å; D121-T123 PolarHBondContact OD1-OG1 2.83Å; D121-R125 IonicContact OD2-CZ 3.95Å; D121-R125 IonicContact OD2-NH2 2.78Å; D121-R125 PolarHBondContact OD2-NH2 3.15Å
122	D	92.6	Very high	92.6	Very high	153 Å²	153	68.2 Å²	68.2	82%	0.818	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-2.9	-178.3	60.8	-13.6	0	0	0	114.1	S124	D122-S124 VanDerWaalsContact C-N 3.33Å; D122-S124 PolarHBondContact O-N 2.81Å
123	T	91.6	Very high	92.8	Very high	61 Å²	61	67.4 Å²	67.4	37%	0.374	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-10.2	-171.8	70.8	0	0	0	0	114.2	D121 R125	D121-T123 PolarHBondContact O-N 2.95Å; D121-T123 WeakPolarHBondContact OD1-CB 3.33Å; D121-T123 PolarHBondContact OD1-N 2.88Å; D121-T123 PolarHBondContact OD1-OG1 2.83Å; T123-R125 PolarHBondContact O-N 2.85Å; T123-R125 WeakPolarHBondContact OG1-CG 3.28Å; T123-R125 PolarHBondContact OG1-N 2.92Å; T123-R125 PolarHBondContact OG1-NE 3.02Å; T123-R125 PolarHBondContact OG1-NH2 2.86Å
124	S	88.9	Confident	93.1	Very high	108 Å²	108	63 Å²	63	76%	0.755	32%	0.315	S	S	*	.			trans	55.1	16.3	-175.5	-61.3	0	0	0	0	115.1	D122	D122-S124 VanDerWaalsContact C-N 3.33Å; D122-S124 PolarHBondContact O-N 2.81Å
125	R	94.8	Very high	93.4	Very high	87 Å²	87	57.2 Å²	57.2	33%	0.328	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-72.1	134.3	176.5	-65.5	172.9	-64.5	165	3.1	110.2	V89 T90 I93 Q120 D121 T123	V89-R125 HydrophobicContact CG1-CB 3.96Å; T90-R125 PolarHBondContact OG1-NH1 3.08Å; T90-R125 VanDerWaalsContact OG1-NH1 3.12Å; T90-R125 PolarHBondContact OG1-NH2 2.85Å; I93-R125 HydrophobicContact CD1-CB 3.64Å; I93-R125 HydrophobicContact CD1-CG 4.39Å; Q120-R125 PolarHBondContact NE2-O 2.97Å; D121-R125 IonicContact OD2-CZ 3.95Å; D121-R125 IonicContact OD2-NH2 2.78Å; D121-R125 PolarHBondContact OD2-NH2 3.15Å; T123-R125 PolarHBondContact O-N 2.85Å; T123-R125 WeakPolarHBondContact OG1-CG 3.28Å; T123-R125 PolarHBondContact OG1-N 2.92Å; T123-R125 PolarHBondContact OG1-NE 3.02Å; T123-R125 PolarHBondContact OG1-NH2 2.86Å
126	R	94.3	Very high	93.8	Very high	214 Å²	214	55.9 Å²	55.9	81%	0.808	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-84.3	126.6	-178.5	-175	177.4	179.1	-176.7	0.6	111.3
127	V	96.8	Very high	94.1	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.03	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-85.4	133.6	168.9	-179.2	0	0	0	0	109.8	I43 V89 A92 I129	I43-V127 HydrophobicContact CB-CG2 4.23Å; I43-V127 HydrophobicContact CD1-CG2 4.15Å; I43-V127 HydrophobicContact CG1-CG2 4.18Å; I43-V127 WeakPolarHBondContact O-CB 3.37Å; V89-V127 HydrophobicContact CB-CG2 4.42Å; V89-V127 HydrophobicContact CG1-CG2 4.02Å; A92-V127 HydrophobicContact CB-CB 4.4Å; A92-V127 HydrophobicContact CB-CG1 3.48Å; A92-V127 VanDerWaalsContact CB-CG1 3.48Å; A92-V127 HydrophobicContact CB-CG2 3.99Å; V127-I129 HydrophobicContact CG1-CG1 4.44Å; V127-I129 WeakPolarHBondContact CG1-O 3.44Å
128	Q	96.8	Very high	94.6	Very high	124 Å²	124	52.2 Å²	52.2	58%	0.579	26%	0.257	S	S	*	.			trans	-103.5	-9.9	-173	-62.9	-176.3	-80.9	0	0	114.3	H96	H96-Q128 PolarHBondContact CD2-OE1 2.88Å; H96-Q128 PolarHBondContact NE2-OE1 2.92Å
129	I	97.4	Very high	94.8	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.056	26%	0.257	C	S	.	.	S	Bend	trans	-120.7	147	-178.3	58.4	176.9	0	0	0	111.2	A95 H96 A100 V103 V127 C131	A95-I129 HydrophobicContact CB-CD1 4.32Å; H96-I129 HydrophobicContact CB-CD1 3.88Å; H96-I129 HydrophobicContact CB-CG1 4.18Å; H96-I129 HydrophobicContact CB-CG2 4.39Å; H96-I129 VanDerWaalsContact ND1-CG2 3.33Å; H96-I129 WeakPolarHBondContact ND1-CG2 3.32Å; A100-I129 HydrophobicContact CB-CD1 4.06Å; V103-I129 HydrophobicContact CG2-CD1 3.56Å; V103-I129 HydrophobicContact CG2-CG1 4.33Å; V127-I129 HydrophobicContact CG1-CG1 4.44Å; V127-I129 WeakPolarHBondContact CG1-O 3.44Å; I129-C131 PolarHBondContact O-SG 3.24Å; I129-C131 VanDerWaalsContact O-SG 3.41Å
130	P	96.9	Very high	95.1	Very high	14 Å²	14	47.3 Å²	47.3	9%	0.091	23%	0.232	C	C	.	.			trans	-66.3	143	-179.4	30.3	-37.4	0	0	0	110.7	P45 F47 V101 A102 V103	P45-P130 WeakPolarHBondContact O-CA 3.42Å; P45-P130 WeakPolarHBondContact O-CB 3.43Å; F47-P130 HydrophobicContact CD1-CB 3.75Å; F47-P130 HydrophobicContact CD1-CG 3.86Å; F47-P130 HydrophobicContact CD2-CB 3.88Å; F47-P130 HydrophobicContact CE1-CB 3.64Å; F47-P130 HydrophobicContact CE1-CG 3.71Å; F47-P130 HydrophobicContact CE2-CB 3.8Å; F47-P130 HydrophobicContact CG-CB 3.86Å; F47-P130 HydrophobicContact CG-CG 4.43Å; F47-P130 HydrophobicContact CZ-CB 3.67Å; F47-P130 HydrophobicContact CZ-CG 4.18Å; V101-P130 WeakPolarHBondContact O-CD 3.35Å; A102-P130 WeakPolarHBondContact CA-O 3.21Å; A102-P130 HydrophobicContact CB-CG 4Å; V103-P130 PolarHBondContact N-O 2.95Å
131	C	97.1	Very high	95.3	Very high	1 Å²	1	45 Å²	45	1%	0.007	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143	-174.4	-65.3	0	0	0	0	110.3	G41 I43 F47 V103 M118 I129	G41-C131 WeakPolarHBondContact CA-O 3.33Å; G41-C131 PolarHBondContact N-O 2.61Å; I43-C131 HydrophobicContact CD1-CB 4.23Å; I43-C131 HydrophobicContact CG1-CB 4.05Å; F47-C131 WeakPolarHBondContact CE2-O 3.27Å; V103-C131 CarbonylContact O-C 3.55Å; V103-C131 VanDerWaalsContact O-CA 3.32Å; V103-C131 WeakPolarHBondContact O-CA 3.3Å; M118-C131 HydrophobicContact CE-CB 3.86Å; M118-C131 HydrophobicContact SD-CB 3.96Å; I129-C131 PolarHBondContact O-SG 3.24Å; I129-C131 VanDerWaalsContact O-SG 3.41Å
132	A	97.1	Very high	95.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.6	173.7	0	0	0	0	0	111.3	L22 L38 S39 F47 V103 I104 V105 F158	L22-A132 HydrophobicContact CD1-CB 4.09Å; L38-A132 HydrophobicContact CB-CB 4.24Å; L38-A132 HydrophobicContact CD2-CB 3.79Å; S39-A132 CarbonylContact O-C 3.49Å; S39-A132 WeakPolarHBondContact O-CA 3.44Å; F47-A132 HydrophobicContact CE2-CB 3.98Å; F47-A132 HydrophobicContact CZ-CB 4.03Å; V103-A132 PolarHBondContact O-N 3.02Å; I104-A132 WeakPolarHBondContact CA-O 3.31Å; I104-A132 HydrophobicContact CG1-CB 4.47Å; V105-A132 PolarHBondContact N-O 2.92Å; A132-F158 HydrophobicContact CB-CE1 4.27Å; A132-F158 HydrophobicContact CB-CZ 3.7Å
133	F	97.5	Very high	95.6	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.6	-179.8	-164.5	-89.8	0	0	0	111.3	L38 S39 F88 V105 D107 T115 F116 M118	L38-F133 CarbonylContact C-O 3.57Å; L38-F133 VanDerWaalsContact CA-O 3.22Å; L38-F133 WeakPolarHBondContact CA-O 3.4Å; L38-F133 WeakPolarHBondContact CB-O 3.3Å; S39-F133 PolarHBondContact N-O 3.31Å; S39-F133 PolarHBondContact O-N 3Å; F88-F133 HydrophobicContact CE1-CD2 4.18Å; F88-F133 AromaticContact CE1-CE2 3.9Å; F88-F133 HydrophobicContact CE1-CE2 3.9Å; F88-F133 HydrophobicContact CZ-CD2 4.28Å; F88-F133 AromaticContact CZ-CE2 3.96Å; F88-F133 HydrophobicContact CZ-CE2 3.96Å; V105-F133 HydrophobicContact CB-CD2 4.17Å; V105-F133 HydrophobicContact CB-CE2 4.47Å; V105-F133 HydrophobicContact CG1-CD2 4.34Å; V105-F133 HydrophobicContact CG1-CE2 4.15Å; V105-F133 CarbonylContact O-C 3.11Å; V105-F133 WeakPolarHBondContact O-CA 3.34Å; D107-F133 HydrophobicContact CB-CE1 4.33Å; D107-F133 HydrophobicContact CB-CZ 3.97Å; T115-F133 HydrophobicContact CG2-CD1 4.46Å; F116-F133 HydrophobicContact CB-CD1 4.42Å; F116-F133 HydrophobicContact CB-CE1 4.37Å; F116-F133 HydrophobicContact CD2-CD1 4.47Å; F116-F133 AromaticContact CD2-CE1 3.66Å; F116-F133 HydrophobicContact CD2-CE1 3.66Å; F116-F133 AromaticContact CD2-CZ 3.83Å; F116-F133 HydrophobicContact CD2-CZ 3.83Å; F116-F133 HydrophobicContact CE2-CE1 4.45Å; F116-F133 HydrophobicContact CG-CE1 4.44Å; F116-F133 VanDerWaalsContact N-CD1 3.34Å; F116-F133 VanDerWaalsContact O-CB 3.26Å; F116-F133 WeakPolarHBondContact O-CB 3.26Å; M118-F133 HydrophobicContact CG-CB 4.01Å; M118-F133 HydrophobicContact CG-CD2 3.94Å; M118-F133 HydrophobicContact CG-CG 4.41Å; M118-F133 HydrophobicContact SD-CB 4.18Å; M118-F133 HydrophobicContact SD-CD2 4.41Å
134	M	97.1	Very high	95.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	143.1	175.6	-173.7	-177.8	-75.9	0	0	109.6	L24 Y36 L38 I104 V105 Y106 D107 D138 G139 I142	L24-M134 HydrophobicContact CD2-CE 3.41Å; L24-M134 VanDerWaalsContact CD2-CE 3.41Å; Y36-M134 HydrophobicContact CG-CE 4.4Å; L38-M134 HydrophobicContact CD1-CE 3.88Å; L38-M134 HydrophobicContact CD2-CB 4.2Å; L38-M134 HydrophobicContact CD2-CE 4.17Å; L38-M134 HydrophobicContact CG-CB 4.05Å; L38-M134 HydrophobicContact CG-CE 4.23Å; L38-M134 HydrophobicContact CG-CG 4.45Å; I104-M134 HydrophobicContact CG2-CB 4.01Å; I104-M134 HydrophobicContact CG2-CE 4.17Å; V105-M134 PolarHBondContact O-N 3.25Å; Y106-M134 VanDerWaalsContact CA-O 3.3Å; Y106-M134 WeakPolarHBondContact CA-O 3.14Å; D107-M134 PolarHBondContact N-O 3.11Å; M134-D138 HydrophobicContact CG-CB 3.77Å; M134-D138 HydrophobicContact SD-CB 3.91Å; M134-G139 WeakPolarHBondContact SD-CA 3.3Å; M134-G139 PolarHBondContact SD-N 3.34Å; M134-I142 HydrophobicContact CE-CD1 3.71Å; M134-I142 HydrophobicContact SD-CD1 3.87Å
135	N	95.9	Very high	96.1	Very high	12 Å²	12	32.1 Å²	32.1	6%	0.064	15%	0.149	C	C	.	.			trans	-66	162.1	173.4	71.5	56.3	0	0	0	110.4	A112 I113 H114 T115 K137 D138 G139	A112-N135 WeakPolarHBondContact O-CB 3.38Å; A112-N135 PolarHBondContact O-OD1 2.89Å; I113-N135 PolarHBondContact O-ND2 2.93Å; H114-N135 WeakPolarHBondContact O-CB 3.48Å; T115-N135 HydrophobicContact CG2-CB 4.18Å; N135-K137 PolarHBondContact OD1-N 3.13Å; N135-K137 VanDerWaalsContact OD1-N 3.13Å; N135-D138 PolarHBondContact ND2-OD2 3.37Å; N135-D138 VanDerWaalsContact OD1-CB 3.28Å; N135-D138 WeakPolarHBondContact OD1-CB 3.43Å; N135-D138 VanDerWaalsContact OD1-CG 3.26Å; N135-D138 PolarHBondContact OD1-N 2.96Å; N135-G139 PolarHBondContact O-N 3.33Å; N135-G139 VanDerWaalsContact O-N 3.12Å
136	G	96.2	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-68.8	-38.6	-176.7	0	0	0	0	0	112.7	D107 N109 A112 D138 G139 H140	D107-G136 VanDerWaalsContact O-CA 3.3Å; D107-G136 WeakPolarHBondContact O-CA 3.48Å; N109-G136 WeakPolarHBondContact O-CA 3.4Å; A112-G136 PolarHBondContact O-N 3.39Å; A112-G136 VanDerWaalsContact O-N 3.11Å; G136-D138 VanDerWaalsContact C-N 3.31Å; G136-D138 PolarHBondContact O-N 2.94Å; G136-G139 PolarHBondContact O-N 2.96Å; G136-H140 WeakPolarHBondContact O-CB 3.48Å; G136-H140 PolarHBondContact O-CD2 3.23Å; G136-H140 PolarHBondContact O-N 3.08Å
137	K	95	Very high	96.2	Very high	72 Å²	72	23.2 Å²	23.2	31%	0.313	12%	0.124	S	C	.	.	H	α-helix	trans	-58.6	-44	-178.8	-169.6	171.4	-175.8	-179.5	0	112.3	R110 A112 I113 N135 S141 W175	R110-K137 VanDerWaalsContact O-CA 3.3Å; R110-K137 WeakPolarHBondContact O-CA 3.41Å; A112-K137 PolarHBondContact O-N 2.67Å; I113-K137 HydrophobicContact CG2-CD 4.02Å; N135-K137 PolarHBondContact OD1-N 3.13Å; N135-K137 VanDerWaalsContact OD1-N 3.13Å; K137-S141 WeakPolarHBondContact O-CB 3.33Å; K137-S141 PolarHBondContact O-N 2.89Å; K137-S141 VanDerWaalsContact O-N 3.07Å; K137-W175 HydrophobicContact CD-CB 4.33Å; K137-W175 HydrophobicContact CD-CD2 3.96Å; K137-W175 HydrophobicContact CD-CG 3.67Å; K137-W175 HydrophobicContact CG-CD2 4.26Å; K137-W175 HydrophobicContact CG-CG 4.41Å; K137-W175 HydrophobicContact CG-CZ2 4.28Å; K137-W175 VanDerWaalsContact NZ-CG 3.27Å
138	D	95.4	Very high	96.1	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.032	15%	0.154	C	C	.	.	H	α-helix	trans	-70.3	-48.1	178.1	-71.4	-11.6	0	0	0	111.6	Y36 M134 N135 G136 H140 S141 I142 W175	Y36-D138 HydrophobicContact CD1-CB 3.51Å; Y36-D138 HydrophobicContact CE1-CB 4.01Å; Y36-D138 HydrophobicContact CG-CB 4.49Å; M134-D138 HydrophobicContact CG-CB 3.77Å; M134-D138 HydrophobicContact SD-CB 3.91Å; N135-D138 PolarHBondContact ND2-OD2 3.37Å; N135-D138 VanDerWaalsContact OD1-CB 3.28Å; N135-D138 WeakPolarHBondContact OD1-CB 3.43Å; N135-D138 VanDerWaalsContact OD1-CG 3.26Å; N135-D138 PolarHBondContact OD1-N 2.96Å; G136-D138 VanDerWaalsContact C-N 3.31Å; G136-D138 PolarHBondContact O-N 2.94Å; D138-H140 PolarHBondContact O-N 3.14Å; D138-S141 WeakPolarHBondContact O-CB 3.38Å; D138-S141 PolarHBondContact O-N 3.49Å; D138-S141 VanDerWaalsContact O-N 3.14Å; D138-I142 PolarHBondContact O-N 2.94Å; D138-W175 PolarHBondContact OD1-NE1 2.98Å
139	G	96.6	Very high	96	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60	-46.4	179.9	0	0	0	0	0	112.3	M134 N135 G136 S141 I142 T143	M134-G139 WeakPolarHBondContact SD-CA 3.3Å; M134-G139 PolarHBondContact SD-N 3.34Å; N135-G139 PolarHBondContact O-N 3.33Å; N135-G139 VanDerWaalsContact O-N 3.12Å; G136-G139 PolarHBondContact O-N 2.96Å; G139-S141 VanDerWaalsContact C-N 3.33Å; G139-S141 PolarHBondContact O-N 3.41Å; G139-I142 PolarHBondContact O-N 3.49Å; G139-T143 WeakPolarHBondContact O-CG2 3.34Å; G139-T143 PolarHBondContact O-N 2.96Å; G139-T143 PolarHBondContact O-OG1 2.81Å
140	H	96.5	Very high	95.9	Very high	16 Å²	16	33.2 Å²	33.2	7%	0.074	18%	0.181	C	C	.	.	H	α-helix	trans	-68	-31.3	176.7	-75.4	-83.3	0	0	0	112.8	Y106 D107 F108 R110 G136 D138 I142 T143 T144	Y106-H140 AromaticContact CE2-CD2 3.91Å; Y106-H140 AromaticContact CE2-CE1 3.85Å; Y106-H140 AromaticContact CE2-NE2 3.7Å; D107-H140 PolarHBondContact O-CD2 2.76Å; D107-H140 PolarHBondContact O-NE2 2.98Å; F108-H140 PolarHBondContact O-NE2 3.34Å; R110-H140 HydrophobicContact CG-CB 4.03Å; R110-H140 VanDerWaalsContact CG-CG 3.44Å; R110-H140 WeakPolarHBondContact CG-ND1 3.3Å; G136-H140 WeakPolarHBondContact O-CB 3.48Å; G136-H140 PolarHBondContact O-CD2 3.23Å; G136-H140 PolarHBondContact O-N 3.08Å; D138-H140 PolarHBondContact O-N 3.14Å; H140-I142 VanDerWaalsContact C-N 3.34Å; H140-T143 WeakPolarHBondContact CA-OG1 3.39Å; H140-T143 PolarHBondContact O-OG1 2.8Å; H140-T144 WeakPolarHBondContact O-CB 3.32Å; H140-T144 PolarHBondContact O-N 2.89Å; H140-T144 PolarHBondContact O-OG1 2.96Å
141	S	94.3	Very high	95.9	Very high	28 Å²	28	35.7 Å²	35.7	20%	0.196	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-44.4	172	-179	0	0	0	0	111.4	K137 D138 G139 A145 W175	K137-S141 WeakPolarHBondContact O-CB 3.33Å; K137-S141 PolarHBondContact O-N 2.89Å; K137-S141 VanDerWaalsContact O-N 3.07Å; D138-S141 WeakPolarHBondContact O-CB 3.38Å; D138-S141 PolarHBondContact O-N 3.49Å; D138-S141 VanDerWaalsContact O-N 3.14Å; G139-S141 VanDerWaalsContact C-N 3.33Å; G139-S141 PolarHBondContact O-N 3.41Å; S141-A145 WeakPolarHBondContact O-CB 3.2Å; S141-A145 PolarHBondContact O-N 3.39Å; S141-A145 VanDerWaalsContact O-N 3.16Å; S141-W175 WeakPolarHBondContact OG-CH2 3.45Å
142	I	95.8	Very high	95.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-52.2	176.8	-64.7	169	0	0	0	110	L24 V26 L32 Y36 L56 L80 M134 D138 G139 H140 T144 A145 L146	L24-I142 HydrophobicContact CD2-CD1 4.16Å; V26-I142 HydrophobicContact CG2-CD1 4.45Å; L32-I142 HydrophobicContact CD1-CG2 4.47Å; Y36-I142 HydrophobicContact CD1-CD1 4.4Å; Y36-I142 HydrophobicContact CD2-CD1 3.94Å; Y36-I142 HydrophobicContact CE1-CD1 4.19Å; Y36-I142 HydrophobicContact CE1-CG1 4.07Å; Y36-I142 HydrophobicContact CE2-CD1 3.75Å; Y36-I142 HydrophobicContact CE2-CG1 3.86Å; Y36-I142 HydrophobicContact CG-CD1 4.25Å; L56-I142 HydrophobicContact CD2-CD1 4.45Å; L56-I142 HydrophobicContact CD2-CG2 4.45Å; L80-I142 HydrophobicContact CD2-CG2 4.21Å; M134-I142 HydrophobicContact CE-CD1 3.71Å; M134-I142 HydrophobicContact SD-CD1 3.87Å; D138-I142 PolarHBondContact O-N 2.94Å; G139-I142 PolarHBondContact O-N 3.49Å; H140-I142 VanDerWaalsContact C-N 3.34Å; I142-T144 PolarHBondContact O-N 3.43Å; I142-A145 PolarHBondContact O-N 3.24Å; I142-L146 HydrophobicContact CG2-CD1 4Å; I142-L146 HydrophobicContact CG2-CG 4.39Å; I142-L146 WeakPolarHBondContact O-CG 3.41Å; I142-L146 PolarHBondContact O-N 3.06Å
143	T	96.2	Very high	95.8	Very high	18 Å²	18	43 Å²	43	11%	0.11	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-39.8	-175.5	63.5	0	0	0	0	112.3	L58 L80 Y106 G139 H140 L146 D147	L58-T143 HydrophobicContact CD2-CG2 3.64Å; L80-T143 HydrophobicContact CD2-CG2 4.06Å; Y106-T143 HydrophobicContact CE1-CG2 4.09Å; Y106-T143 HydrophobicContact CE2-CG2 4.45Å; G139-T143 WeakPolarHBondContact O-CG2 3.34Å; G139-T143 PolarHBondContact O-N 2.96Å; G139-T143 PolarHBondContact O-OG1 2.81Å; H140-T143 WeakPolarHBondContact CA-OG1 3.39Å; H140-T143 PolarHBondContact O-OG1 2.8Å; T143-L146 PolarHBondContact O-N 3.09Å; T143-D147 WeakPolarHBondContact O-CB 3.34Å; T143-D147 PolarHBondContact O-N 3.49Å
144	T	95.3	Very high	95.8	Very high	51 Å²	51	43 Å²	43	31%	0.313	23%	0.23	S	C	.	.	H	α-helix	trans	-66.4	-39	176.8	-71.1	0	0	0	0	112	H140 I142 D147 N148	H140-T144 WeakPolarHBondContact O-CB 3.32Å; H140-T144 PolarHBondContact O-N 2.89Å; H140-T144 PolarHBondContact O-OG1 2.96Å; I142-T144 PolarHBondContact O-N 3.43Å; T144-D147 PolarHBondContact O-N 3.12Å; T144-N148 WeakPolarHBondContact O-CB 3.38Å; T144-N148 PolarHBondContact O-N 3.34Å; T144-N148 PolarHBondContact O-ND2 3.07Å
145	A	94.3	Very high	95.8	Very high	16 Å²	16	45.7 Å²	45.7	13%	0.132	24%	0.244	C	C	.	.	H	α-helix	trans	-69.1	-35.2	176.3	0	0	0	0	0	112.7	L32 S141 I142 L149	L32-A145 HydrophobicContact CD1-CB 3.62Å; L32-A145 HydrophobicContact CD2-CB 3.55Å; L32-A145 HydrophobicContact CG-CB 3.67Å; S141-A145 WeakPolarHBondContact O-CB 3.2Å; S141-A145 PolarHBondContact O-N 3.39Å; S141-A145 VanDerWaalsContact O-N 3.16Å; I142-A145 PolarHBondContact O-N 3.24Å; A145-L149 WeakPolarHBondContact O-CD1 3.39Å; A145-L149 VanDerWaalsContact O-CG 3.25Å; A145-L149 WeakPolarHBondContact O-CG 3.36Å; A145-L149 PolarHBondContact O-N 2.97Å
146	L	96.1	Very high	95.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-46.7	172.5	-71.8	179.1	0	0	0	111.8	L58 I142 T143 N148 L149 N150 L151 K153 A154	L58-L146 HydrophobicContact CD1-CD1 4.24Å; L58-L146 HydrophobicContact CD2-CD1 4.28Å; L58-L146 HydrophobicContact CG-CD1 4.16Å; I142-L146 HydrophobicContact CG2-CD1 4Å; I142-L146 HydrophobicContact CG2-CG 4.39Å; I142-L146 WeakPolarHBondContact O-CG 3.41Å; I142-L146 PolarHBondContact O-N 3.06Å; T143-L146 PolarHBondContact O-N 3.09Å; L146-N148 PolarHBondContact O-N 3.14Å; L146-L149 CarbonylContact O-C 3.52Å; L146-L149 PolarHBondContact O-N 3.25Å; L146-L149 VanDerWaalsContact O-N 3.09Å; L146-N150 PolarHBondContact O-N 3.11Å; L146-N150 VanDerWaalsContact O-N 3.11Å; L146-L151 CarbonylContact C-O 3.54Å; L146-L151 HydrophobicContact CB-CB 4.45Å; L146-L151 WeakPolarHBondContact CB-O 3.28Å; L146-L151 HydrophobicContact CD2-CB 3.77Å; L146-L151 HydrophobicContact CD2-CD1 4.23Å; L146-L151 PolarHBondContact O-N 3.09Å; L146-K153 WeakPolarHBondContact CD2-O 3.37Å; L146-A154 HydrophobicContact CD1-CB 4.45Å; L146-A154 HydrophobicContact CD2-CB 4.13Å
147	D	95.3	Very high	95.8	Very high	113 Å²	113	45.9 Å²	45.9	60%	0.604	25%	0.245	S	C	*	.	H	α-helix	trans	-58.3	-48.4	177	-173.1	50.8	0	0	0	111.7	T143 T144 L149 N150	T143-D147 WeakPolarHBondContact O-CB 3.34Å; T143-D147 PolarHBondContact O-N 3.49Å; T144-D147 PolarHBondContact O-N 3.12Å; D147-L149 PolarHBondContact O-N 3.16Å; D147-L149 VanDerWaalsContact O-N 3.09Å; D147-N150 PolarHBondContact O-N 3.46Å
148	N	95.5	Very high	95.8	Very high	122 Å²	122	42.5 Å²	42.5	65%	0.652	23%	0.23	S	C	*	.	H	α-helix	trans	-59.8	-24.4	176.7	-72.6	-22	0	0	0	113.9	T144 L146	T144-N148 WeakPolarHBondContact O-CB 3.38Å; T144-N148 PolarHBondContact O-N 3.34Å; T144-N148 PolarHBondContact O-ND2 3.07Å; L146-N148 PolarHBondContact O-N 3.14Å
149	L	94.9	Very high	95.8	Very high	77 Å²	77	43 Å²	43	40%	0.403	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	2.5	179.3	-66.4	170.8	0	0	0	112.7	P29 A145 L146 D147 L151	P29-L149 HydrophobicContact CB-CD1 3.45Å; P29-L149 VanDerWaalsContact CB-CD1 3.45Å; P29-L149 HydrophobicContact CG-CD1 3.55Å; A145-L149 WeakPolarHBondContact O-CD1 3.39Å; A145-L149 VanDerWaalsContact O-CG 3.25Å; A145-L149 WeakPolarHBondContact O-CG 3.36Å; A145-L149 PolarHBondContact O-N 2.97Å; L146-L149 CarbonylContact O-C 3.52Å; L146-L149 PolarHBondContact O-N 3.25Å; L146-L149 VanDerWaalsContact O-N 3.09Å; D147-L149 PolarHBondContact O-N 3.16Å; D147-L149 VanDerWaalsContact O-N 3.09Å; L149-L151 HydrophobicContact CB-CD1 3.83Å; L149-L151 HydrophobicContact CB-CG 3.85Å; L149-L151 HydrophobicContact CD1-CD1 4.11Å; L149-L151 PolarHBondContact O-N 3.32Å
150	N	95.9	Very high	95.4	Very high	151 Å²	151	44.4 Å²	44.4	81%	0.807	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	41.8	-171.1	-61.9	-48.9	0	0	0	112.7	L146 D147	L146-N150 PolarHBondContact O-N 3.11Å; L146-N150 VanDerWaalsContact O-N 3.11Å; D147-N150 PolarHBondContact O-N 3.46Å
151	L	96.3	Very high	94.7	Very high	67 Å²	67	49 Å²	49	35%	0.351	27%	0.268	S	S	.	.			trans	-109.6	143.9	178	-63.5	176.6	0	0	0	110.6	P29 L146 L149	P29-L151 HydrophobicContact CB-CD1 4.46Å; P29-L151 HydrophobicContact CG-CD1 4.48Å; L146-L151 CarbonylContact C-O 3.54Å; L146-L151 HydrophobicContact CB-CB 4.45Å; L146-L151 WeakPolarHBondContact CB-O 3.28Å; L146-L151 HydrophobicContact CD2-CB 3.77Å; L146-L151 HydrophobicContact CD2-CD1 4.23Å; L146-L151 PolarHBondContact O-N 3.09Å; L149-L151 HydrophobicContact CB-CD1 3.83Å; L149-L151 HydrophobicContact CB-CG 3.85Å; L149-L151 HydrophobicContact CD1-CD1 4.11Å; L149-L151 PolarHBondContact O-N 3.32Å
152	T	96	Very high	93.9	Very high	56 Å²	56	48.7 Å²	48.7	34%	0.344	27%	0.265	S	S	.	.	S	Bend	trans	-98.3	-7.5	175	57.9	0	0	0	0	113.2	L58 E73	L58-T152 PolarHBondContact N-O 2.81Å; E73-T152 WeakPolarHBondContact OE2-CB 3.25Å; E73-T152 PolarHBondContact OE2-OG1 2.91Å
153	K	96.9	Very high	92.7	Very high	97 Å²	97	54.6 Å²	54.6	42%	0.422	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	151.4	-173.6	65.1	-170.3	178.7	-174.6	0	113.5	L56 V57 L146	L56-K153 CarbonylContact O-C 3.51Å; L56-K153 WeakPolarHBondContact O-CA 3.5Å; L56-K153 WeakPolarHBondContact O-CB 3.38Å; V57-K153 HydrophobicContact CG2-CB 4Å; L146-K153 WeakPolarHBondContact CD2-O 3.37Å
154	A	96.9	Very high	91.1	Very high	2 Å²	2	57.9 Å²	57.9	2%	0.017	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.5	170.1	0	0	0	0	0	110.5	V26 N28 S55 L56 L146 V156	V26-A154 HydrophobicContact CG1-CB 4.25Å; N28-A154 CarbonylContact O-C 3.54Å; N28-A154 WeakPolarHBondContact O-CA 3.32Å; N28-A154 WeakPolarHBondContact O-CB 3.45Å; S55-A154 CarbonylContact C-O 3.53Å; S55-A154 WeakPolarHBondContact CA-O 3.33Å; L56-A154 HydrophobicContact CB-CB 4.45Å; L56-A154 PolarHBondContact N-O 3.25Å; L56-A154 PolarHBondContact O-N 2.8Å; L146-A154 HydrophobicContact CD1-CB 4.45Å; L146-A154 HydrophobicContact CD2-CB 4.13Å; A154-V156 HydrophobicContact CB-CG1 4.19Å
155	L	96.5	Very high	89.8	Confident	56 Å²	56	58.1 Å²	58.1	29%	0.293	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127.8	169.4	-165.3	71.2	0	0	0	109.1	I27 N28 S53	I27-L155 HydrophobicContact CB-CB 4.37Å; I27-L155 HydrophobicContact CB-CD2 4.3Å; I27-L155 HydrophobicContact CB-CG 4.41Å; I27-L155 HydrophobicContact CD1-CD2 4.4Å; I27-L155 HydrophobicContact CD1-CG 4.32Å; I27-L155 HydrophobicContact CG2-CD2 4.13Å; I27-L155 PolarHBondContact N-O 2.89Å; N28-L155 HydrophobicContact CB-CB 3.78Å; N28-L155 PolarHBondContact N-O 2.98Å; N28-L155 PolarHBondContact O-N 3.1Å; S53-L155 VanDerWaalsContact C-CD1 3.41Å; S53-L155 WeakPolarHBondContact O-CD1 3.4Å
156	V	96.8	Very high	88.4	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	157.1	-172.5	-53.6	0	0	0	0	113.3	L24 R25 V26 S53 T54 L56 I78 A154	L24-V156 HydrophobicContact CD1-CB 3.71Å; L24-V156 HydrophobicContact CD1-CG1 4.06Å; L24-V156 HydrophobicContact CD1-CG2 3.73Å; L24-V156 HydrophobicContact CG-CB 4.5Å; R25-V156 CarbonylContact O-C 3.56Å; R25-V156 WeakPolarHBondContact O-CA 3.35Å; R25-V156 WeakPolarHBondContact O-CB 3.48Å; V26-V156 HydrophobicContact CB-CG1 4.47Å; V26-V156 HydrophobicContact CG2-CG1 3.9Å; S53-V156 PolarHBondContact N-O 2.78Å; T54-V156 PolarHBondContact N-O 3.45Å; T54-V156 WeakPolarHBondContact O-CG2 3.45Å; T54-V156 PolarHBondContact O-N 3.28Å; L56-V156 HydrophobicContact CB-CG1 3.74Å; L56-V156 HydrophobicContact CB-CG2 3.99Å; L56-V156 HydrophobicContact CD2-CG1 4.21Å; I78-V156 HydrophobicContact CD1-CG2 4.01Å; A154-V156 HydrophobicContact CB-CG1 4.19Å
157	D	94.9	Very high	87	Confident	16 Å²	16	63.4 Å²	63.4	9%	0.086	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.9	159.9	-61.1	-42.6	0	0	0	109.9	R25 I27 F51 T52 S53 V160	R25-D157 HydrophobicContact CB-CB 4.47Å; R25-D157 IonicContact CZ-OD2 3.31Å; R25-D157 VanDerWaalsContact CZ-OD2 3.31Å; R25-D157 PolarHBondContact N-O 3.03Å; R25-D157 IonicContact NE-OD2 3.14Å; R25-D157 PolarHBondContact NE-OD2 3.19Å; R25-D157 VanDerWaalsContact NE-OD2 3.14Å; R25-D157 IonicContact NH2-OD2 2.66Å; R25-D157 PolarHBondContact NH2-OD2 3.14Å; R25-D157 PolarHBondContact O-N 3.22Å; I27-D157 WeakPolarHBondContact CD1-OD1 3.24Å; I27-D157 WeakPolarHBondContact CD1-OD2 3.18Å; F51-D157 CarbonylContact O-C 3.43Å; F51-D157 VanDerWaalsContact O-CA 3.31Å; F51-D157 WeakPolarHBondContact O-CA 3.43Å; T52-D157 VanDerWaalsContact CA-OD1 3.3Å; T52-D157 WeakPolarHBondContact CA-OD1 3.29Å; S53-D157 PolarHBondContact N-OD1 3.14Å; D157-V160 HydrophobicContact CB-CG2 3.58Å; D157-V160 WeakPolarHBondContact O-CG2 3.47Å
158	F	95.7	Very high	85.5	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	140.4	-177.1	-171.7	-123.5	0	0	0	114.6	L22 L24 L38 F47 F51 I78 I104 A132	L22-F158 HydrophobicContact CB-CE2 3.75Å; L22-F158 HydrophobicContact CB-CZ 4.09Å; L22-F158 HydrophobicContact CD1-CE2 4.39Å; L22-F158 HydrophobicContact CD1-CZ 3.91Å; L24-F158 HydrophobicContact CB-CD2 3.8Å; L24-F158 HydrophobicContact CB-CE2 4.25Å; L24-F158 HydrophobicContact CD1-CB 3.69Å; L24-F158 HydrophobicContact CD1-CD2 3.91Å; L24-F158 HydrophobicContact CD1-CG 3.87Å; L38-F158 HydrophobicContact CD2-CE2 4.12Å; L38-F158 HydrophobicContact CD2-CZ 4.05Å; F47-F158 HydrophobicContact CD1-CE1 4.12Å; F47-F158 AromaticContact CE1-CD1 3.88Å; F47-F158 HydrophobicContact CE1-CD1 3.88Å; F47-F158 AromaticContact CE1-CE1 3.28Å; F47-F158 HydrophobicContact CE1-CE1 3.28Å; F47-F158 HydrophobicContact CE1-CZ 4.07Å; F47-F158 HydrophobicContact CE2-CE1 4.3Å; F47-F158 HydrophobicContact CE2-CZ 4.38Å; F47-F158 HydrophobicContact CZ-CD1 4.41Å; F47-F158 AromaticContact CZ-CE1 3.39Å; F47-F158 HydrophobicContact CZ-CE1 3.39Å; F47-F158 AromaticContact CZ-CZ 3.88Å; F47-F158 HydrophobicContact CZ-CZ 3.88Å; F51-F158 WeakPolarHBondContact CA-O 3.36Å; F51-F158 WeakPolarHBondContact CB-O 3.14Å; F51-F158 HydrophobicContact CD2-CD1 4.49Å; F51-F158 VanDerWaalsContact CD2-O 3.23Å; F51-F158 WeakPolarHBondContact CD2-O 3.29Å; F51-F158 PolarHBondContact N-O 3.18Å; F51-F158 PolarHBondContact O-N 2.66Å; I78-F158 HydrophobicContact CD1-CB 4Å; I78-F158 HydrophobicContact CD1-CD1 4.03Å; I78-F158 HydrophobicContact CD1-CG 4.46Å; I104-F158 HydrophobicContact CD1-CD1 4.13Å; I104-F158 HydrophobicContact CD1-CE1 3.95Å; I104-F158 HydrophobicContact CD1-CZ 4.23Å; I104-F158 HydrophobicContact CG1-CE1 4.11Å; I104-F158 HydrophobicContact CG1-CZ 4.44Å; A132-F158 HydrophobicContact CB-CE1 4.27Å; A132-F158 HydrophobicContact CB-CZ 3.7Å
159	P	94.2	Very high	84.3	Confident	18 Å²	18	66.4 Å²	66.4	12%	0.117	36%	0.362	C	S	.	.	S	Bend	cis	-67.4	140.2	-26.4	30.7	-35	0	0	0	110.4	L22 F47 T50	L22-P159 HydrophobicContact CB-CB 4.2Å; L22-P159 HydrophobicContact CD2-CB 3.88Å; L22-P159 HydrophobicContact CD2-CG 4.36Å; F47-P159 HydrophobicContact CB-CG 4.03Å; F47-P159 HydrophobicContact CD1-CG 4.42Å; F47-P159 HydrophobicContact CG-CG 4.39Å; T50-P159 VanDerWaalsContact CG2-O 3.27Å; T50-P159 WeakPolarHBondContact CG2-O 3.49Å; T50-P159 PolarHBondContact OG1-O 2.62Å
160	V	89.7	Confident	83.2	Confident	28 Å²	28	63.9 Å²	63.9	17%	0.17	35%	0.349	C	S	.	.			trans	-88.5	133.1	174.7	-177.4	0	0	0	0	109.6	H23 R25 D157 V162	H23-V160 HydrophobicContact CB-CB 4.49Å; H23-V160 PolarHBondContact O-N 3.12Å; R25-V160 HydrophobicContact CB-CG2 3.87Å; D157-V160 HydrophobicContact CB-CG2 3.58Å; D157-V160 WeakPolarHBondContact O-CG2 3.47Å; V160-V162 HydrophobicContact CB-CG1 4.38Å; V160-V162 HydrophobicContact CG1-CG1 4.12Å; V160-V162 PolarHBondContact O-N 2.74Å
161	N	81.3	Confident	82.2	Confident	114 Å²	114	64.7 Å²	64.7	61%	0.61	34%	0.341	S	S	*	.			trans	-75.5	103.7	168.7	-174.3	2.9	0	0	0	109.9	T163	N161-T163 WeakPolarHBondContact OD1-CB 3.16Å; N161-T163 PolarHBondContact OD1-N 3.16Å; N161-T163 VanDerWaalsContact OD1-N 3.12Å; N161-T163 PolarHBondContact OD1-OG1 3.3Å
162	V	77.3	Confident	81.3	Confident	21 Å²	21	63.4 Å²	63.4	13%	0.127	33%	0.334	C	S	.	.			trans	-96.8	-3.5	179.3	-61.9	0	0	0	0	113.4	H23 V160 A164 V165 L170	H23-V162 HydrophobicContact CB-CG1 3.69Å; H23-V162 HydrophobicContact CB-CG2 4.33Å; H23-V162 VanDerWaalsContact CE1-CG2 3.45Å; H23-V162 WeakPolarHBondContact CE1-CG2 3.35Å; H23-V162 WeakPolarHBondContact ND1-CG2 3.43Å; V160-V162 HydrophobicContact CB-CG1 4.38Å; V160-V162 HydrophobicContact CG1-CG1 4.12Å; V160-V162 PolarHBondContact O-N 2.74Å; V162-A164 PolarHBondContact O-N 2.78Å; V162-A164 VanDerWaalsContact O-N 3.17Å; V162-V165 PolarHBondContact O-N 2.75Å; V162-L170 HydrophobicContact CB-CD1 4.14Å; V162-L170 HydrophobicContact CB-CD2 4Å; V162-L170 HydrophobicContact CG1-CD1 4.48Å; V162-L170 HydrophobicContact CG1-CD2 3.69Å
163	T	70.8	Confident	80.3	Confident	123 Å²	123	61 Å²	61	76%	0.755	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.8	-174.9	58.8	0	0	0	0	113.4	N161	N161-T163 WeakPolarHBondContact OD1-CB 3.16Å; N161-T163 PolarHBondContact OD1-N 3.16Å; N161-T163 VanDerWaalsContact OD1-N 3.12Å; N161-T163 PolarHBondContact OD1-OG1 3.3Å
164	A	62.3	Low	79.3	Confident	87 Å²	87	61.2 Å²	61.2	72%	0.719	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-1.9	177.7	0	0	0	0	0	113.7	V162	V162-A164 PolarHBondContact O-N 2.78Å; V162-A164 VanDerWaalsContact O-N 3.17Å
165	V	68.6	Low	78.3	Confident	56 Å²	56	64.6 Å²	64.6	34%	0.339	34%	0.343	S	S	.	.	S	Bend	trans	-101.1	116.5	-175.6	-175.4	0	0	0	0	108.8	V162 V167 H169 L170	V162-V165 PolarHBondContact O-N 2.75Å; V165-V167 PolarHBondContact O-N 3.09Å; V165-H169 HydrophobicContact CG1-CB 3.74Å; V165-L170 HydrophobicContact CB-CD2 3.93Å; V165-L170 HydrophobicContact CB-CG 4.37Å; V165-L170 HydrophobicContact CG1-CD2 3.64Å; V165-L170 HydrophobicContact CG1-CG 3.97Å
166	P	65.1	Low	77.3	Confident	56 Å²	56	64.6 Å²	64.6	36%	0.364	35%	0.346	S	S	.	.			trans	-56.1	140.7	174.8	-24.3	33.2	0	0	0	111.3	Y168 H169 L170	P166-Y168 HydrophobicContact CB-CD1 3.56Å; P166-Y168 HydrophobicContact CB-CE1 3.08Å; P166-Y168 HydrophobicContact CB-CE2 4.4Å; P166-Y168 HydrophobicContact CB-CG 4.37Å; P166-Y168 HydrophobicContact CG-CE1 3.92Å; P166-Y168 PolarHBondContact O-N 2.95Å; P166-H169 WeakPolarHBondContact O-CA 2.97Å; P166-H169 WeakPolarHBondContact O-CB 3.19Å; P166-H169 PolarHBondContact O-N 2.78Å; P166-L170 PolarHBondContact O-N 3.17Å
167	V	67.1	Low	75.7	Confident	72 Å²	72	72.1 Å²	72.1	44%	0.436	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-57.2	-32.4	-172.4	-169.1	0	0	0	0	112.6	V165 H169 L170 L172 W178	V165-V167 PolarHBondContact O-N 3.09Å; V167-H169 PolarHBondContact O-N 2.97Å; V167-L170 WeakPolarHBondContact O-CA 3.42Å; V167-L170 WeakPolarHBondContact O-CB 3.2Å; V167-L170 PolarHBondContact O-N 3.15Å; V167-L170 VanDerWaalsContact O-O 3.1Å; V167-L172 HydrophobicContact CG1-CD1 3.64Å; V167-W178 HydrophobicContact CB-CZ3 4.18Å; V167-W178 HydrophobicContact CG1-CE3 4.18Å; V167-W178 HydrophobicContact CG1-CH2 4.15Å; V167-W178 HydrophobicContact CG1-CZ3 3.41Å; V167-W178 VanDerWaalsContact CG1-CZ3 3.41Å
168	Y	62.7	Low	73.8	Confident	177 Å²	177	83.8 Å²	83.8	69%	0.694	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-68.5	-18.6	176.8	65.9	-95.2	0	0	0	114.1	P166	P166-Y168 HydrophobicContact CB-CD1 3.56Å; P166-Y168 HydrophobicContact CB-CE1 3.08Å; P166-Y168 HydrophobicContact CB-CE2 4.4Å; P166-Y168 HydrophobicContact CB-CG 4.37Å; P166-Y168 HydrophobicContact CG-CE1 3.92Å; P166-Y168 PolarHBondContact O-N 2.95Å
169	H	70.1	Confident	72.7	Confident	120 Å²	120	88 Å²	88	56%	0.556	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-88.4	-17.5	169.4	-74.1	-64.1	0	0	0	112.5	V165 P166 V167 R171	V165-H169 HydrophobicContact CG1-CB 3.74Å; P166-H169 WeakPolarHBondContact O-CA 2.97Å; P166-H169 WeakPolarHBondContact O-CB 3.19Å; P166-H169 PolarHBondContact O-N 2.78Å; V167-H169 PolarHBondContact O-N 2.97Å; H169-R171 PolarHBondContact O-N 2.91Å
170	L	71.2	Confident	71.6	Confident	25 Å²	25	91.6 Å²	91.6	13%	0.131	47%	0.467	C	S	.	.	S	Bend	trans	-75.1	113.1	169.3	-60.6	175.4	0	0	0	107.9	V162 V165 P166 V167 L172	V162-L170 HydrophobicContact CB-CD1 4.14Å; V162-L170 HydrophobicContact CB-CD2 4Å; V162-L170 HydrophobicContact CG1-CD1 4.48Å; V162-L170 HydrophobicContact CG1-CD2 3.69Å; V165-L170 HydrophobicContact CB-CD2 3.93Å; V165-L170 HydrophobicContact CB-CG 4.37Å; V165-L170 HydrophobicContact CG1-CD2 3.64Å; V165-L170 HydrophobicContact CG1-CG 3.97Å; P166-L170 PolarHBondContact O-N 3.17Å; V167-L170 WeakPolarHBondContact O-CA 3.42Å; V167-L170 WeakPolarHBondContact O-CB 3.2Å; V167-L170 PolarHBondContact O-N 3.15Å; V167-L170 VanDerWaalsContact O-O 3.1Å; L170-L172 HydrophobicContact CB-CD2 3.98Å; L170-L172 HydrophobicContact CB-CG 4.03Å; L170-L172 PolarHBondContact O-N 2.83Å
171	R	76	Confident	70.5	Confident	167 Å²	167	95.2 Å²	95.2	63%	0.63	48%	0.483	S	S	*	.			trans	-71.8	81	168.7	-69.2	-173.2	-178.8	-153.9	2.1	108.3	P33 F34 T35 H169	P33-R171 WeakPolarHBondContact O-CB 3.29Å; P33-R171 WeakPolarHBondContact O-CD 3.41Å; F34-R171 CarbonylContact C-O 3.54Å; F34-R171 WeakPolarHBondContact CA-O 3.32Å; T35-R171 PolarHBondContact N-O 2.91Å; H169-R171 PolarHBondContact O-N 2.91Å
172	L	76.8	Confident	69.9	Low	40 Å²	40	94.1 Å²	94.1	21%	0.209	48%	0.476	C	S	.	.	B	Isolated β-bridge	trans	-72.7	158.6	177.9	-62.5	175.9	0	0	0	110.4	F34 V167 L170 T176	F34-L172 WeakPolarHBondContact CD1-O 3.46Å; V167-L172 HydrophobicContact CG1-CD1 3.64Å; L170-L172 HydrophobicContact CB-CD2 3.98Å; L170-L172 HydrophobicContact CB-CG 4.03Å; L170-L172 PolarHBondContact O-N 2.83Å; L172-T176 HydrophobicContact CB-CG2 4.38Å; L172-T176 HydrophobicContact CD1-CG2 4Å
173	T	75	Confident	69.5	Low	5 Å²	5	98.6 Å²	98.6	3%	0.031	50%	0.498	C	S	.	.			trans	-62.7	146.8	175.4	59.7	0	0	0	0	110	F34 Y36 W175 T176	F34-T173 HydrophobicContact CB-CG2 4.05Å; F34-T173 HydrophobicContact CG-CG2 4.31Å; Y36-T173 HydrophobicContact CD1-CG2 3.55Å; Y36-T173 HydrophobicContact CE1-CG2 3.4Å; Y36-T173 VanDerWaalsContact CE1-CG2 3.4Å; T173-W175 VanDerWaalsContact CB-CE2 3.46Å; T173-W175 HydrophobicContact CG2-CZ2 3.83Å; T173-W175 PolarHBondContact O-N 3.31Å; T173-W175 PolarHBondContact OG1-NE1 3.33Å; T173-W175 VanDerWaalsContact OG1-NE1 3.16Å; T173-T176 WeakPolarHBondContact O-CB 3.39Å; T173-T176 PolarHBondContact O-N 3.28Å; T173-T176 PolarHBondContact O-OG1 2.83Å; T173-T176 PolarHBondContact OG1-OG1 3.07Å
174	P	75.8	Confident	69.4	Low	102 Å²	102	97 Å²	97	66%	0.662	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-16.1	-175.4	-26.4	34.3	0	0	0	115.4	F34	F34-P174 HydrophobicContact CE1-CG 4.18Å; F34-P174 HydrophobicContact CZ-CG 3.95Å
175	W	77.5	Confident	69.9	Low	73 Å²	73	97.7 Å²	97.7	28%	0.277	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	6.3	179.4	51.7	80.7	0	0	0	114	K137 D138 S141 T173 L177	K137-W175 HydrophobicContact CD-CB 4.33Å; K137-W175 HydrophobicContact CD-CD2 3.96Å; K137-W175 HydrophobicContact CD-CG 3.67Å; K137-W175 HydrophobicContact CG-CD2 4.26Å; K137-W175 HydrophobicContact CG-CG 4.41Å; K137-W175 HydrophobicContact CG-CZ2 4.28Å; K137-W175 VanDerWaalsContact NZ-CG 3.27Å; D138-W175 PolarHBondContact OD1-NE1 2.98Å; S141-W175 WeakPolarHBondContact OG-CH2 3.45Å; T173-W175 VanDerWaalsContact CB-CE2 3.46Å; T173-W175 HydrophobicContact CG2-CZ2 3.83Å; T173-W175 PolarHBondContact O-N 3.31Å; T173-W175 PolarHBondContact OG1-NE1 3.33Å; T173-W175 VanDerWaalsContact OG1-NE1 3.16Å; W175-L177 PolarHBondContact O-N 3.45Å; W175-L177 VanDerWaalsContact O-N 3.15Å
176	T	74.3	Confident	70	Confident	57 Å²	57	100.9 Å²	100.9	35%	0.35	47%	0.473	S	S	.	.			trans	-68	111.2	168.5	-59.5	0	0	0	0	107.4	L172 T173	L172-T176 HydrophobicContact CB-CG2 4.38Å; L172-T176 HydrophobicContact CD1-CG2 4Å; T173-T176 WeakPolarHBondContact O-CB 3.39Å; T173-T176 PolarHBondContact O-N 3.28Å; T173-T176 PolarHBondContact O-OG1 2.83Å; T173-T176 PolarHBondContact OG1-OG1 3.07Å
177	L	63.7	Low	70.4	Confident	158 Å²	158	104.7 Å²	104.7	83%	0.827	48%	0.482	S	S	*	.			trans	-75.2	134.6	174.4	-64.8	172.8	0	0	0	108.6	W175	W175-L177 PolarHBondContact O-N 3.45Å; W175-L177 VanDerWaalsContact O-N 3.15Å
178	W	54.4	Low	70.7	Confident	260 Å²	260	107.6 Å²	107.6	99%	0.985	49%	0.486	S	S	*	.			trans	-74.3	0	178.6	-56.3	88.7	0	0	0	111.9	V167	V167-W178 HydrophobicContact CB-CZ3 4.18Å; V167-W178 HydrophobicContact CG1-CE3 4.18Å; V167-W178 HydrophobicContact CG1-CH2 4.15Å; V167-W178 HydrophobicContact CG1-CZ3 3.41Å; V167-W178 VanDerWaalsContact CG1-CZ3 3.41Å

Retrieved 178 of 178 residues in 164.4 ms (Link to these results)

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