A0A077Z5E8_TRITR Loading...

DAO domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5E8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 172 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	32.2	Very low	249 Å²	249	144.7 Å²	144.7	100%	1.227	80%	0.799	S	S	*	*				0	107.9	0	-84.4	176.7	-177.4	0	0	108.7
2	R	27.6	Very low	32.8	Very low	253 Å²	253	136.1 Å²	136.1	96%	0.955	75%	0.75	S	S	*	*			trans	-102	117.9	163.3	-77.5	-175.9	179.1	-175.5	0.7	106.5
3	S	28.9	Very low	33.5	Very low	116 Å²	116	130.2 Å²	130.2	81%	0.811	73%	0.725	S	S	*	*			trans	-68.8	128.3	176.7	36.2	0	0	0	0	109.8
4	Y	30.3	Very low	34.4	Very low	150 Å²	150	124 Å²	124	59%	0.588	69%	0.687	S	S	*	*			trans	-91	114.6	172.7	-132.6	-93.5	0	0	0	108.2	S13 G15	Y4-S13 WeakPolarHBondContact CE1-O 3.48Å; Y4-S13 PolarHBondContact OH-O 3.28Å; Y4-G15 PolarHBondContact OH-N 3.49Å; Y4-G15 VanDerWaalsContact OH-N 3.08Å
5	Q	27.6	Very low	35.3	Very low	178 Å²	178	119.4 Å²	119.4	83%	0.832	68%	0.679	S	S	*	*			trans	-84.4	124.6	169.1	-76	-178.6	-45.6	0	0	108.6	A7	Q5-A7 PolarHBondContact O-N 2.91Å
6	A	32.1	Very low	36.2	Very low	82 Å²	82	113.5 Å²	113.5	68%	0.678	65%	0.652	S	S	*	*			trans	-66.7	111.1	169.5	0	0	0	0	0	108.6
7	A	34.8	Very low	37.4	Very low	80 Å²	80	109.1 Å²	109.1	66%	0.661	63%	0.633	S	S	*	*			trans	-68	135.2	172.2	0	0	0	0	0	109.4	Q5 S9	Q5-A7 PolarHBondContact O-N 2.91Å; A7-S9 PolarHBondContact O-N 2.9Å; A7-S9 VanDerWaalsContact O-O 3.13Å
8	N	30.3	Very low	38.7	Very low	176 Å²	176	107.5 Å²	107.5	94%	0.941	62%	0.621	S	S	*	*	S	Bend	trans	-67.7	73.2	-177.3	-75.1	-31.8	0	0	0	112.7
9	S	39.2	Very low	39.9	Very low	82 Å²	82	103.2 Å²	103.2	57%	0.573	60%	0.596	S	S	*	*	S	Bend	trans	-169	133.6	156.8	58.7	0	0	0	0	103.8	A7 M11	A7-S9 PolarHBondContact O-N 2.9Å; A7-S9 VanDerWaalsContact O-O 3.13Å; S9-M11 PolarHBondContact O-N 3.19Å
10	G	32.9	Very low	41.4	Very low	76 Å²	76	108.6 Å²	108.6	78%	0.784	61%	0.606	S	S	*	*	S	Bend	trans	-63.8	29	-165.7	0	0	0	0	0	117.9	F99	G10-F99 WeakPolarHBondContact O-CE1 3.41Å
11	M	38.5	Very low	42.9	Very low	150 Å²	150	108.7 Å²	108.7	74%	0.739	61%	0.605	S	S	*	*			trans	-111.5	109.1	-178.2	-161.4	149.5	69	0	0	109	S9 S13	S9-M11 PolarHBondContact O-N 3.19Å; M11-S13 PolarHBondContact O-N 2.88Å
12	L	38.9	Very low	44.6	Very low	41 Å²	41	98.1 Å²	98.1	22%	0.215	55%	0.554	C	S	.	*			trans	-77.1	114	174	-72.4	178.9	0	0	0	109.6	F99 Q103	L12-F99 VanDerWaalsContact CD1-C 3.46Å; L12-F99 HydrophobicContact CD1-CB 3.3Å; L12-F99 HydrophobicContact CD1-CD1 3.72Å; L12-F99 HydrophobicContact CD1-CG 3.96Å; L12-F99 VanDerWaalsContact CD1-O 3.23Å; L12-F99 WeakPolarHBondContact CD1-O 3.36Å; L12-F99 HydrophobicContact CG-CB 4.27Å; L12-F99 HydrophobicContact CG-CD1 3.95Å; L12-Q103 HydrophobicContact CB-CG 4.44Å; L12-Q103 HydrophobicContact CD1-CG 3.69Å
13	S	42	Very low	46.8	Very low	60 Å²	60	87.8 Å²	87.8	42%	0.42	52%	0.519	S	S	.	.			trans	-86.1	133.9	164.7	161.9	0	0	0	0	109.8	Y4 M11 G15 E118	Y4-S13 WeakPolarHBondContact CE1-O 3.48Å; Y4-S13 PolarHBondContact OH-O 3.28Å; M11-S13 PolarHBondContact O-N 2.88Å; S13-G15 PolarHBondContact O-N 3.22Å; S13-G15 PolarHBondContact OG-N 3.22Å; S13-E118 WeakPolarHBondContact CA-OE1 3.17Å; S13-E118 WeakPolarHBondContact CB-OE2 3.45Å; S13-E118 PolarHBondContact OG-OE2 3.22Å
14	F	46.6	Very low	49.2	Very low	43 Å²	43	88.4 Å²	88.4	19%	0.189	51%	0.514	C	S	.	.			trans	-81	2.5	178.2	-55.2	-66.9	0	0	0	113.5	V102 Q103 A106 E118	F14-V102 HydrophobicContact CE1-CB 4.33Å; F14-V102 HydrophobicContact CE1-CG1 3.72Å; F14-V102 HydrophobicContact CE2-CG1 3.93Å; F14-V102 HydrophobicContact CZ-CB 4.11Å; F14-V102 HydrophobicContact CZ-CG1 3.14Å; F14-Q103 HydrophobicContact CD1-CB 4.32Å; F14-Q103 HydrophobicContact CD1-CG 3.83Å; F14-Q103 VanDerWaalsContact CE1-CA 3.44Å; F14-Q103 HydrophobicContact CE1-CB 4.08Å; F14-Q103 HydrophobicContact CE1-CG 3.48Å; F14-Q103 VanDerWaalsContact CE1-CG 3.48Å; F14-A106 HydrophobicContact CB-CB 3.87Å; F14-A106 HydrophobicContact CD1-CB 3.29Å; F14-A106 HydrophobicContact CD2-CB 4.06Å; F14-A106 HydrophobicContact CE1-CB 3.92Å; F14-A106 HydrophobicContact CG-CB 3.41Å; F14-A106 VanDerWaalsContact CG-CB 3.41Å; F14-E118 WeakPolarHBondContact CD2-OE1 3.41Å; F14-E118 VanDerWaalsContact N-CD 3.33Å; F14-E118 PolarHBondContact N-OE1 3.37Å; F14-E118 PolarHBondContact N-OE2 3.14Å
15	G	47	Very low	51.4	Low	55 Å²	55	83.2 Å²	83.2	57%	0.567	50%	0.495	S	S	*	.			trans	66.5	46.5	-170.4	0	0	0	0	0	109.7	Y4 S13 E118	Y4-G15 PolarHBondContact OH-N 3.49Å; Y4-G15 VanDerWaalsContact OH-N 3.08Å; S13-G15 PolarHBondContact O-N 3.22Å; S13-G15 PolarHBondContact OG-N 3.22Å; G15-E118 PolarHBondContact N-OE2 3.48Å
16	G	51.2	Low	53.9	Low	25 Å²	25	75 Å²	75	26%	0.258	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-54	154.6	179.3	0	0	0	0	0	112.7	I116 E118	G16-I116 CarbonylContact C-O 3.46Å; G16-I116 WeakPolarHBondContact CA-O 3.47Å; G16-E118 PolarHBondContact N-OE2 3.11Å
17	A	55.3	Low	56.2	Low	39 Å²	39	73 Å²	73	32%	0.322	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-50.6	143	168.7	0	0	0	0	0	109.9	L19 I116 F117	A17-L19 PolarHBondContact O-N 3.32Å; A17-I116 PolarHBondContact N-O 2.91Å; A17-F117 HydrophobicContact CB-CD1 3.77Å; A17-F117 HydrophobicContact CB-CD2 4.19Å; A17-F117 HydrophobicContact CB-CE1 3.42Å; A17-F117 VanDerWaalsContact CB-CE1 3.42Å; A17-F117 HydrophobicContact CB-CE2 3.93Å; A17-F117 HydrophobicContact CB-CG 4.16Å; A17-F117 HydrophobicContact CB-CZ 3.49Å; A17-F117 VanDerWaalsContact CB-CZ 3.49Å; A17-F117 VanDerWaalsContact O-CD1 3.28Å; A17-F117 WeakPolarHBondContact O-CD1 3.3Å
18	N	61.7	Low	58.1	Low	80 Å²	80	69.7 Å²	69.7	43%	0.428	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-61.4	127.1	179.8	-179.4	-22.9	0	0	0	108.4	R20 D21 F117	N18-R20 PolarHBondContact O-N 3.44Å; N18-R20 WeakPolarHBondContact OD1-CB 3.02Å; N18-R20 WeakPolarHBondContact OD1-CG 3.19Å; N18-R20 PolarHBondContact OD1-N 3.18Å; N18-R20 VanDerWaalsContact OD1-N 3.1Å; N18-D21 WeakPolarHBondContact CB-OD2 3.37Å; N18-D21 WeakPolarHBondContact O-CA 3.08Å; N18-D21 WeakPolarHBondContact O-CB 3.31Å; N18-D21 PolarHBondContact O-N 3.47Å; N18-F117 WeakPolarHBondContact O-CE1 3.46Å
19	L	61.8	Low	60.5	Low	26 Å²	26	61.3 Å²	61.3	14%	0.136	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-49.8	-22.2	-179.7	-66.5	162.4	0	0	0	115.4	A17 D21 F117 E118 N119 C120 F140	A17-L19 PolarHBondContact O-N 3.32Å; L19-D21 VanDerWaalsContact C-N 3.26Å; L19-D21 PolarHBondContact O-N 3.33Å; L19-F117 HydrophobicContact CD2-CB 3.99Å; L19-F117 HydrophobicContact CD2-CD1 4.38Å; L19-E118 VanDerWaalsContact CD1-O 3.29Å; L19-E118 WeakPolarHBondContact CD1-O 3.13Å; L19-E118 VanDerWaalsContact CD2-O 3.28Å; L19-E118 WeakPolarHBondContact CD2-O 2.87Å; L19-E118 WeakPolarHBondContact CG-O 3Å; L19-N119 HydrophobicContact CD1-CB 3.94Å; L19-C120 HydrophobicContact CD2-CB 3.28Å; L19-F140 HydrophobicContact CB-CD1 3.79Å; L19-F140 HydrophobicContact CB-CD2 3.95Å; L19-F140 HydrophobicContact CB-CE1 3.65Å; L19-F140 HydrophobicContact CB-CE2 3.83Å; L19-F140 HydrophobicContact CB-CG 3.94Å; L19-F140 HydrophobicContact CB-CZ 3.68Å; L19-F140 HydrophobicContact CD1-CD2 4.39Å; L19-F140 HydrophobicContact CD1-CE1 4.02Å; L19-F140 HydrophobicContact CD1-CE2 3.48Å; L19-F140 VanDerWaalsContact CD1-CE2 3.48Å; L19-F140 HydrophobicContact CD1-CZ 3.26Å; L19-F140 HydrophobicContact CD2-CD2 3.93Å; L19-F140 HydrophobicContact CD2-CE2 3.73Å; L19-F140 HydrophobicContact CD2-CZ 4.3Å; L19-F140 HydrophobicContact CG-CD2 4.31Å; L19-F140 HydrophobicContact CG-CE1 4.39Å; L19-F140 HydrophobicContact CG-CE2 3.87Å; L19-F140 HydrophobicContact CG-CZ 3.91Å
20	R	70.3	Confident	62.4	Low	211 Å²	211	57.4 Å²	57.4	80%	0.796	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-70.3	-19.1	173.3	-64.1	-179.8	179.4	140	2.5	114.2	N18	N18-R20 PolarHBondContact O-N 3.44Å; N18-R20 WeakPolarHBondContact OD1-CB 3.02Å; N18-R20 WeakPolarHBondContact OD1-CG 3.19Å; N18-R20 PolarHBondContact OD1-N 3.18Å; N18-R20 VanDerWaalsContact OD1-N 3.1Å
21	D	71.2	Confident	64.5	Low	111 Å²	111	54.3 Å²	54.3	59%	0.594	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-97.4	13.2	-178.4	-54	-28.3	0	0	0	111.9	N18 L19 F117	N18-D21 WeakPolarHBondContact CB-OD2 3.37Å; N18-D21 WeakPolarHBondContact O-CA 3.08Å; N18-D21 WeakPolarHBondContact O-CB 3.31Å; N18-D21 PolarHBondContact O-N 3.47Å; L19-D21 VanDerWaalsContact C-N 3.26Å; L19-D21 PolarHBondContact O-N 3.33Å; D21-F117 VanDerWaalsContact C-CE1 3.46Å; D21-F117 VanDerWaalsContact C-CZ 3.49Å; D21-F117 HydrophobicContact CB-CE1 4.12Å; D21-F117 HydrophobicContact CB-CZ 4.38Å; D21-F117 WeakPolarHBondContact O-CZ 3.49Å
22	L	68.6	Low	65.8	Low	27 Å²	27	47.2 Å²	47.2	14%	0.141	26%	0.264	C	S	.	.			trans	-59.3	122.5	-179.4	-168.7	71.5	0	0	0	109.4	L53 L55 F117 T138 F140 V143	L22-L53 HydrophobicContact CD1-CD1 4.27Å; L22-L53 HydrophobicContact CD1-CD2 3.98Å; L22-L55 HydrophobicContact CD1-CD2 4.39Å; L22-F117 VanDerWaalsContact CA-CZ 3.48Å; L22-F117 HydrophobicContact CB-CD1 4.46Å; L22-F117 HydrophobicContact CB-CE1 4.18Å; L22-F117 HydrophobicContact CB-CZ 4.41Å; L22-F117 HydrophobicContact CD1-CB 4.2Å; L22-F117 HydrophobicContact CD1-CD1 4.06Å; L22-F117 HydrophobicContact CD1-CD2 3.71Å; L22-F117 HydrophobicContact CD1-CE1 4.3Å; L22-F117 HydrophobicContact CD1-CE2 3.95Å; L22-F117 HydrophobicContact CD1-CG 3.73Å; L22-F117 HydrophobicContact CD1-CZ 4.27Å; L22-F117 VanDerWaalsContact N-CE1 3.34Å; L22-T138 HydrophobicContact CD2-CG2 4.16Å; L22-F140 HydrophobicContact CD2-CB 4.31Å; L22-V143 HydrophobicContact CD1-CG2 4.27Å; L22-V143 HydrophobicContact CD2-CG2 3.29Å; L22-V143 HydrophobicContact CG-CG2 3.56Å
23	P	74.8	Confident	67.1	Low	36 Å²	36	45.3 Å²	45.3	23%	0.234	25%	0.254	C	S	.	.			trans	-65.6	144.3	-179.3	27.2	-34.6	0	0	0	110.4	H25 V26 L53 V143	P23-H25 PolarHBondContact O-N 3.17Å; P23-V26 HydrophobicContact CB-CG1 4.14Å; P23-V26 HydrophobicContact CG-CG1 3.51Å; P23-L53 HydrophobicContact CG-CD2 4.26Å; P23-V143 WeakPolarHBondContact O-CG1 3.47Å; P23-V143 WeakPolarHBondContact O-CG2 3.49Å
24	D	79.3	Confident	68.4	Low	129 Å²	129	43 Å²	43	69%	0.69	24%	0.24	S	C	*	.	S	Bend	trans	-74.6	-16.7	173.8	62.8	-6.7	0	0	0	112.6	K144	D24-K144 VanDerWaalsContact O-CB 3.29Å; D24-K144 WeakPolarHBondContact O-CB 3.23Å; D24-K144 PolarHBondContact O-N 2.99Å
25	H	75.9	Confident	69.4	Low	41 Å²	41	44.8 Å²	44.8	19%	0.19	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	134.5	179.2	-167.6	-50.2	0	0	0	112.9	P23 R51 K144 D146	P23-H25 PolarHBondContact O-N 3.17Å; H25-R51 PolarHBondContact CE1-NH2 3.15Å; H25-R51 PolarHBondContact ND1-NH2 3.19Å; H25-R51 PolarHBondContact O-NH1 2.86Å; H25-K144 WeakPolarHBondContact CA-O 3.14Å; H25-K144 HydrophobicContact CB-CB 4.45Å; H25-D146 IonicContact CE1-OD2 3.44Å; H25-D146 PolarHBondContact CE1-OD2 2.79Å
26	V	80.1	Confident	70.5	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	161	170.7	-64.1	0	0	0	0	110.5	P23 L29 R51 L53 V143 K144 C145	P23-V26 HydrophobicContact CB-CG1 4.14Å; P23-V26 HydrophobicContact CG-CG1 3.51Å; V26-L29 HydrophobicContact CG2-CB 4.09Å; V26-R51 HydrophobicContact CB-CB 4.46Å; V26-R51 WeakPolarHBondContact CB-O 3.39Å; V26-L53 HydrophobicContact CB-CB 4.3Å; V26-L53 HydrophobicContact CG1-CB 3.81Å; V26-L53 HydrophobicContact CG1-CD2 4.14Å; V26-L53 HydrophobicContact CG2-CB 4.17Å; V26-L53 HydrophobicContact CG2-CD2 4.39Å; V26-V143 HydrophobicContact CG2-CG1 4.21Å; V26-K144 PolarHBondContact N-O 3.06Å; V26-C145 HydrophobicContact CG2-CB 3.89Å; V26-C145 WeakPolarHBondContact O-CA 3.38Å
27	D	79.1	Confident	71.4	Confident	40 Å²	40	45.5 Å²	45.5	21%	0.214	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-38.4	179	-50.3	-35.5	0	0	0	109.6	A50 R51 I147	D27-A50 HydrophobicContact CB-CB 4.03Å; D27-R51 PolarHBondContact N-O 2.78Å; D27-R51 IonicContact OD1-CZ 3.4Å; D27-R51 IonicContact OD1-NE 3.19Å; D27-R51 PolarHBondContact OD1-NE 2.9Å; D27-R51 IonicContact OD1-NH2 2.75Å; D27-R51 PolarHBondContact OD1-NH2 2.82Å; D27-R51 WeakPolarHBondContact OD2-CB 3.28Å; D27-R51 PolarHBondContact OD2-N 3.11Å; D27-R51 IonicContact OD2-NE 3.41Å; D27-R51 PolarHBondContact OD2-NE 2.79Å; D27-I147 PolarHBondContact O-N 3.35Å
28	V	76.3	Confident	72	Confident	10 Å²	10	43.8 Å²	43.8	6%	0.061	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126.8	175.9	-171.6	0	0	0	0	111.3	I30 L44 A50 R51 V52 L53 I147 V149	V28-I30 HydrophobicContact CG1-CG1 4.39Å; V28-L44 HydrophobicContact CB-CD1 4.29Å; V28-L44 HydrophobicContact CG1-CD1 3.75Å; V28-L44 HydrophobicContact CG2-CD1 4.34Å; V28-A50 HydrophobicContact CG2-CB 4.16Å; V28-R51 PolarHBondContact N-O 3.05Å; V28-V52 HydrophobicContact CB-CG2 4.3Å; V28-V52 CarbonylContact O-C 3.44Å; V28-V52 VanDerWaalsContact O-CA 3.28Å; V28-V52 WeakPolarHBondContact O-CA 3.29Å; V28-L53 PolarHBondContact O-N 2.93Å; V28-I147 WeakPolarHBondContact CA-O 3.45Å; V28-I147 HydrophobicContact CG1-CG2 4.34Å; V28-I147 HydrophobicContact CG2-CB 4.33Å; V28-V149 HydrophobicContact CG1-CG2 3.9Å
29	L	80.8	Confident	72.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.2	173.6	173.2	60.7	0	0	0	110.6	V26 L53 L55 V136 C145 I147 L148 V149	V26-L29 HydrophobicContact CG2-CB 4.09Å; L29-L53 CarbonylContact C-O 3.59Å; L29-L53 WeakPolarHBondContact CA-O 3.36Å; L29-L53 HydrophobicContact CD1-CB 4Å; L29-L53 HydrophobicContact CD1-CD2 3.7Å; L29-L53 HydrophobicContact CD1-CG 3.54Å; L29-L55 HydrophobicContact CD1-CD1 3.81Å; L29-L55 HydrophobicContact CD1-CG 3.82Å; L29-V136 HydrophobicContact CD2-CB 4.06Å; L29-V136 HydrophobicContact CD2-CG1 3.45Å; L29-V136 VanDerWaalsContact CD2-CG1 3.45Å; L29-V136 HydrophobicContact CD2-CG2 3.38Å; L29-C145 HydrophobicContact CB-CB 4.03Å; L29-I147 PolarHBondContact N-O 2.78Å; L29-L148 HydrophobicContact CB-CD1 3.85Å; L29-L148 HydrophobicContact CD2-CD1 3.42Å; L29-L148 VanDerWaalsContact CD2-CD1 3.42Å; L29-L148 HydrophobicContact CG-CD1 3.59Å; L29-V149 WeakPolarHBondContact O-CA 3.45Å; L29-V149 PolarHBondContact O-N 3.2Å
30	I	77.4	Confident	73.1	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116.9	178.7	-56.7	164.9	0	0	0	108.9	V28 V40 A41 L44 V52 L53 L54 L55 V149 A151	V28-I30 HydrophobicContact CG1-CG1 4.39Å; I30-V40 HydrophobicContact CD1-CB 4.31Å; I30-V40 HydrophobicContact CD1-CG1 3.86Å; I30-V40 HydrophobicContact CG1-CG1 4.37Å; I30-A41 VanDerWaalsContact CD1-CA 3.46Å; I30-A41 HydrophobicContact CD1-CB 3.57Å; I30-L44 HydrophobicContact CD1-CD1 4.44Å; I30-V52 HydrophobicContact CD1-CG1 3.59Å; I30-V52 HydrophobicContact CG1-CG1 4.26Å; I30-L53 PolarHBondContact N-O 3.07Å; I30-L54 HydrophobicContact CB-CB 4.24Å; I30-L54 HydrophobicContact CB-CD1 4.24Å; I30-L54 HydrophobicContact CB-CG 4.19Å; I30-L54 HydrophobicContact CG2-CD1 3.89Å; I30-L54 HydrophobicContact CG2-CG 4.17Å; I30-L54 CarbonylContact O-C 3.57Å; I30-L54 WeakPolarHBondContact O-CA 3.33Å; I30-L55 PolarHBondContact O-N 3.19Å; I30-V149 CarbonylContact C-O 3.51Å; I30-V149 VanDerWaalsContact CA-O 3.28Å; I30-V149 WeakPolarHBondContact CA-O 3.32Å; I30-V149 HydrophobicContact CG1-CB 4.09Å; I30-V149 HydrophobicContact CG1-CG1 4.45Å; I30-V149 HydrophobicContact CG1-CG2 4.48Å; I30-V149 HydrophobicContact CG2-CG1 4.41Å; I30-A151 HydrophobicContact CG2-CB 4.06Å
31	I	78.2	Confident	73.1	Confident	12 Å²	12	33 Å²	33	6%	0.062	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	100.4	174.3	-53	179.4	0	0	0	107.4	L55 V122 L148 V149 A151 A152	I31-L55 CarbonylContact C-O 3.55Å; I31-L55 WeakPolarHBondContact CA-O 3.44Å; I31-V122 HydrophobicContact CD1-CG2 4.3Å; I31-L148 HydrophobicContact CD1-CD1 4.07Å; I31-L148 HydrophobicContact CD1-CD2 4.49Å; I31-L148 HydrophobicContact CG1-CD1 4.2Å; I31-V149 PolarHBondContact N-O 2.77Å; I31-A151 CarbonylContact O-C 3.34Å; I31-A151 WeakPolarHBondContact O-CA 3.42Å; I31-A151 WeakPolarHBondContact O-CB 3.45Å; I31-A151 PolarHBondContact O-N 3.35Å; I31-A152 HydrophobicContact CB-CB 4.5Å; I31-A152 HydrophobicContact CG2-CB 3.7Å; I31-A152 WeakPolarHBondContact O-CA 3.33Å; I31-A152 PolarHBondContact O-N 2.65Å
32	G	65.8	Low	73.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.179	C	C	.	.			trans	132.8	117.6	169.7	0	0	0	0	0	113.1	G34 G37 L55 E56 A151	G32-G34 VanDerWaalsContact C-N 3.33Å; G32-G34 PolarHBondContact O-N 2.92Å; G32-G37 WeakPolarHBondContact O-CA 3.36Å; G32-L55 WeakPolarHBondContact CA-O 3.46Å; G32-L55 PolarHBondContact N-O 2.75Å; G32-E56 WeakPolarHBondContact CA-OE2 3.09Å; G32-A151 WeakPolarHBondContact CA-O 3.32Å
33	G	66.4	Low	73.5	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.01	20%	0.195	C	C	.	.			trans	-92.2	18.9	-178.9	0	0	0	0	0	114.3	L38 E56 V102	G33-L38 WeakPolarHBondContact O-CD1 3.21Å; G33-E56 VanDerWaalsContact CA-CD 3.47Å; G33-E56 PolarHBondContact N-OE2 3.21Å; G33-V102 WeakPolarHBondContact O-CG1 3.49Å
34	G	68	Low	73.3	Confident	12 Å²	12	36.1 Å²	36.1	12%	0.124	20%	0.196	C	C	.	.	S	Bend	trans	-64.9	173.8	165.3	0	0	0	0	0	112.1	G32 S36 G37 L38	G32-G34 VanDerWaalsContact C-N 3.33Å; G32-G34 PolarHBondContact O-N 2.92Å; G34-S36 PolarHBondContact O-N 2.88Å; G34-G37 PolarHBondContact O-N 2.63Å; G34-L38 WeakPolarHBondContact O-CB 3.43Å; G34-L38 PolarHBondContact O-N 2.74Å
35	L	68.5	Low	73	Confident	81 Å²	81	30.7 Å²	30.7	42%	0.424	17%	0.171	S	C	.	.	H	α-helix	trans	-52.2	-42.2	-179	-173.9	67	0	0	0	112.2	S39 F105	L35-S39 WeakPolarHBondContact O-CB 3.35Å; L35-S39 PolarHBondContact O-N 2.82Å; L35-F105 HydrophobicContact CD1-CD2 4Å; L35-F105 HydrophobicContact CD1-CE2 3.52Å; L35-F105 HydrophobicContact CD1-CZ 4.29Å
36	S	70.8	Confident	72.7	Confident	93 Å²	93	32.2 Å²	32.2	65%	0.65	18%	0.183	S	C	*	.	H	α-helix	trans	-64.1	-52.3	180	-49.4	0	0	0	0	112.4	G34 L38 S39 V40	G34-S36 PolarHBondContact O-N 2.88Å; S36-L38 PolarHBondContact O-N 3.15Å; S36-S39 WeakPolarHBondContact O-CB 3.47Å; S36-S39 PolarHBondContact O-N 3.22Å; S36-V40 WeakPolarHBondContact O-CG2 3.28Å; S36-V40 PolarHBondContact O-N 3.41Å
37	G	68.7	Low	72.3	Confident	1 Å²	1	37 Å²	37	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-67.8	-36	-177.8	0	0	0	0	0	112.7	G32 G34 V40 A41 L54	G32-G37 WeakPolarHBondContact O-CA 3.36Å; G34-G37 PolarHBondContact O-N 2.63Å; G37-V40 PolarHBondContact O-N 2.8Å; G37-A41 VanDerWaalsContact O-CB 3.31Å; G37-A41 WeakPolarHBondContact O-CB 3.42Å; G37-A41 PolarHBondContact O-N 2.82Å; G37-L54 WeakPolarHBondContact O-CD1 3.33Å
38	L	69	Low	72	Confident	3 Å²	3	37 Å²	37	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-69.8	-35.3	173.3	-85.3	178.8	0	0	0	113.6	G33 G34 S36 A41 Y42 L54 V102 F105 A106	G33-L38 WeakPolarHBondContact O-CD1 3.21Å; G34-L38 WeakPolarHBondContact O-CB 3.43Å; G34-L38 PolarHBondContact O-N 2.74Å; S36-L38 PolarHBondContact O-N 3.15Å; L38-A41 PolarHBondContact O-N 2.71Å; L38-Y42 VanDerWaalsContact O-CB 3.29Å; L38-Y42 WeakPolarHBondContact O-CB 3.37Å; L38-Y42 PolarHBondContact O-N 2.99Å; L38-L54 HydrophobicContact CD2-CD1 4.03Å; L38-L54 HydrophobicContact CG-CD1 4.29Å; L38-V102 HydrophobicContact CD1-CB 3.97Å; L38-V102 HydrophobicContact CD1-CG1 3.28Å; L38-V102 HydrophobicContact CD1-CG2 4.39Å; L38-V102 WeakPolarHBondContact CD1-O 3.37Å; L38-F105 HydrophobicContact CB-CB 3.75Å; L38-F105 HydrophobicContact CB-CG 4.29Å; L38-F105 HydrophobicContact CD1-CB 3.92Å; L38-F105 HydrophobicContact CD2-CB 4.33Å; L38-F105 HydrophobicContact CG-CB 4.24Å; L38-A106 HydrophobicContact CD2-CB 4.03Å
39	S	71.5	Confident	72	Confident	36 Å²	36	45 Å²	45	25%	0.252	26%	0.258	S	S	.	.	H	α-helix	trans	-62.6	-49.6	171.8	-178.5	0	0	0	0	110.4	L35 S36 A41 Y42 F43	L35-S39 WeakPolarHBondContact O-CB 3.35Å; L35-S39 PolarHBondContact O-N 2.82Å; S36-S39 WeakPolarHBondContact O-CB 3.47Å; S36-S39 PolarHBondContact O-N 3.22Å; S39-A41 VanDerWaalsContact C-N 3.34Å; S39-A41 PolarHBondContact O-N 2.92Å; S39-Y42 PolarHBondContact O-N 2.81Å; S39-F43 WeakPolarHBondContact O-CD2 3.42Å; S39-F43 PolarHBondContact O-N 2.92Å
40	V	75	Confident	71.4	Confident	55 Å²	55	46.4 Å²	46.4	33%	0.333	27%	0.27	S	S	.	.	H	α-helix	trans	-58.8	-45.7	175.8	173.5	0	0	0	0	110.9	I30 S36 G37 Y42 F43 L44	I30-V40 HydrophobicContact CD1-CB 4.31Å; I30-V40 HydrophobicContact CD1-CG1 3.86Å; I30-V40 HydrophobicContact CG1-CG1 4.37Å; S36-V40 WeakPolarHBondContact O-CG2 3.28Å; S36-V40 PolarHBondContact O-N 3.41Å; G37-V40 PolarHBondContact O-N 2.8Å; V40-Y42 VanDerWaalsContact C-N 3.34Å; V40-Y42 PolarHBondContact O-N 3.22Å; V40-F43 PolarHBondContact O-N 2.85Å; V40-L44 HydrophobicContact CG1-CD1 3.7Å; V40-L44 HydrophobicContact CG1-CG 4.22Å; V40-L44 WeakPolarHBondContact O-CB 3.36Å; V40-L44 WeakPolarHBondContact O-CG 3.48Å; V40-L44 PolarHBondContact O-N 2.89Å
41	A	70.7	Confident	71.3	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-43.9	177.2	0	0	0	0	0	112.2	I30 G37 L38 S39 G45 L54 A109 V114	I30-A41 VanDerWaalsContact CD1-CA 3.46Å; I30-A41 HydrophobicContact CD1-CB 3.57Å; G37-A41 VanDerWaalsContact O-CB 3.31Å; G37-A41 WeakPolarHBondContact O-CB 3.42Å; G37-A41 PolarHBondContact O-N 2.82Å; L38-A41 PolarHBondContact O-N 2.71Å; S39-A41 VanDerWaalsContact C-N 3.34Å; S39-A41 PolarHBondContact O-N 2.92Å; A41-G45 PolarHBondContact O-N 3.04Å; A41-L54 HydrophobicContact CB-CD1 3.89Å; A41-A109 HydrophobicContact CB-CB 4.35Å; A41-V114 HydrophobicContact CB-CG1 4.46Å
42	Y	72.3	Confident	71.3	Confident	81 Å²	81	51.9 Å²	51.9	32%	0.318	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-49.3	177.9	170.1	-103.1	0	0	0	111.9	L38 S39 V40 G45 T46 F105 A108	L38-Y42 VanDerWaalsContact O-CB 3.29Å; L38-Y42 WeakPolarHBondContact O-CB 3.37Å; L38-Y42 PolarHBondContact O-N 2.99Å; S39-Y42 PolarHBondContact O-N 2.81Å; V40-Y42 VanDerWaalsContact C-N 3.34Å; V40-Y42 PolarHBondContact O-N 3.22Å; Y42-G45 PolarHBondContact O-N 3.32Å; Y42-T46 HydrophobicContact CD2-CG2 4.18Å; Y42-T46 HydrophobicContact CE2-CG2 3.81Å; Y42-T46 WeakPolarHBondContact O-CB 3.39Å; Y42-T46 WeakPolarHBondContact O-CG2 3.16Å; Y42-T46 PolarHBondContact O-N 3.39Å; Y42-T46 VanDerWaalsContact O-N 3.11Å; Y42-T46 PolarHBondContact O-OG1 3.44Å; Y42-F105 HydrophobicContact CD1-CE1 4.49Å; Y42-F105 HydrophobicContact CG-CD1 4.35Å; Y42-A108 HydrophobicContact CD2-CB 3.69Å; Y42-A108 HydrophobicContact CE2-CB 3.91Å
43	F	73.9	Confident	71.9	Confident	110 Å²	110	51.9 Å²	51.9	48%	0.482	29%	0.291	S	S	.	.	H	α-helix	trans	-65.5	-48.5	-180	-78.1	-68.5	0	0	0	111.1	S39 V40 G45 T46 T47	S39-F43 WeakPolarHBondContact O-CD2 3.42Å; S39-F43 PolarHBondContact O-N 2.92Å; V40-F43 PolarHBondContact O-N 2.85Å; F43-G45 VanDerWaalsContact C-N 3.33Å; F43-G45 PolarHBondContact O-N 2.98Å; F43-T46 PolarHBondContact O-N 3.48Å; F43-T46 PolarHBondContact O-OG1 3.33Å; F43-T46 VanDerWaalsContact O-OG1 3.1Å; F43-T47 WeakPolarHBondContact O-CB 3.44Å; F43-T47 WeakPolarHBondContact O-CG2 3.42Å; F43-T47 PolarHBondContact O-N 3.04Å; F43-T47 PolarHBondContact O-OG1 2.95Å
44	L	72.7	Confident	72.6	Confident	48 Å²	48	52 Å²	52	25%	0.251	29%	0.291	S	S	.	.	H	α-helix	trans	-59.3	-42.1	177.6	-70.9	175.4	0	0	0	112.6	V28 I30 V40 T46 S48 V52	V28-L44 HydrophobicContact CB-CD1 4.29Å; V28-L44 HydrophobicContact CG1-CD1 3.75Å; V28-L44 HydrophobicContact CG2-CD1 4.34Å; I30-L44 HydrophobicContact CD1-CD1 4.44Å; V40-L44 HydrophobicContact CG1-CD1 3.7Å; V40-L44 HydrophobicContact CG1-CG 4.22Å; V40-L44 WeakPolarHBondContact O-CB 3.36Å; V40-L44 WeakPolarHBondContact O-CG 3.48Å; V40-L44 PolarHBondContact O-N 2.89Å; L44-T46 PolarHBondContact O-N 2.83Å; L44-S48 WeakPolarHBondContact O-CB 3.42Å; L44-S48 PolarHBondContact O-N 3.1Å; L44-S48 PolarHBondContact O-OG 3.48Å; L44-V52 HydrophobicContact CB-CG2 3.77Å; L44-V52 HydrophobicContact CD1-CG2 4.42Å
45	G	71.3	Confident	73.1	Confident	16 Å²	16	51.5 Å²	51.5	17%	0.165	29%	0.286	C	S	.	.	H	α-helix	trans	-67.8	-21	177.7	0	0	0	0	0	114.2	A41 Y42 F43	A41-G45 PolarHBondContact O-N 3.04Å; Y42-G45 PolarHBondContact O-N 3.32Å; F43-G45 VanDerWaalsContact C-N 3.33Å; F43-G45 PolarHBondContact O-N 2.98Å
46	T	70.4	Confident	73	Confident	72 Å²	72	50 Å²	50	44%	0.442	28%	0.277	S	S	.	.	H	α-helix	trans	-102.6	-23.6	-179.3	53.1	0	0	0	0	113.8	Y42 F43 L44 A112	Y42-T46 HydrophobicContact CD2-CG2 4.18Å; Y42-T46 HydrophobicContact CE2-CG2 3.81Å; Y42-T46 WeakPolarHBondContact O-CB 3.39Å; Y42-T46 WeakPolarHBondContact O-CG2 3.16Å; Y42-T46 PolarHBondContact O-N 3.39Å; Y42-T46 VanDerWaalsContact O-N 3.11Å; Y42-T46 PolarHBondContact O-OG1 3.44Å; F43-T46 PolarHBondContact O-N 3.48Å; F43-T46 PolarHBondContact O-OG1 3.33Å; F43-T46 VanDerWaalsContact O-OG1 3.1Å; L44-T46 PolarHBondContact O-N 2.83Å; T46-A112 HydrophobicContact CG2-CB 4.03Å
47	T	72.1	Confident	72.6	Confident	106 Å²	106	52.7 Å²	52.7	65%	0.65	27%	0.273	S	S	*	.	H	α-helix	trans	-110.6	-6.8	-175.5	68.6	0	0	0	0	113.5	F43	F43-T47 WeakPolarHBondContact O-CB 3.44Å; F43-T47 WeakPolarHBondContact O-CG2 3.42Å; F43-T47 PolarHBondContact O-N 3.04Å; F43-T47 PolarHBondContact O-OG1 2.95Å
48	S	72.7	Confident	71.7	Confident	41 Å²	41	54.6 Å²	54.6	29%	0.287	29%	0.292	S	S	.	.			trans	-133.5	164	179.5	84.1	0	0	0	0	111.4	L44 A50	L44-S48 WeakPolarHBondContact O-CB 3.42Å; L44-S48 PolarHBondContact O-N 3.1Å; L44-S48 PolarHBondContact O-OG 3.48Å; S48-A50 VanDerWaalsContact C-N 3.31Å; S48-A50 WeakPolarHBondContact OG-CB 3.22Å; S48-A50 PolarHBondContact OG-N 3.26Å
49	N	75.5	Confident	70.4	Confident	176 Å²	176	58.7 Å²	58.7	94%	0.941	31%	0.307	S	S	*	.			trans	-94.4	14.1	170.4	-66.3	-35.7	0	0	0	112.1
50	A	68.4	Low	68.6	Low	31 Å²	31	60.6 Å²	60.6	26%	0.256	33%	0.325	S	S	.	.			trans	-70.3	141.2	-176.9	0	0	0	0	0	111.3	D27 V28 S48 V52	D27-A50 HydrophobicContact CB-CB 4.03Å; V28-A50 HydrophobicContact CG2-CB 4.16Å; S48-A50 VanDerWaalsContact C-N 3.31Å; S48-A50 WeakPolarHBondContact OG-CB 3.22Å; S48-A50 PolarHBondContact OG-N 3.26Å; A50-V52 HydrophobicContact CB-CG2 4.28Å; A50-V52 PolarHBondContact O-N 2.8Å; A50-V52 VanDerWaalsContact O-N 3.15Å
51	R	75.7	Confident	66.8	Low	118 Å²	118	62.1 Å²	62.1	45%	0.445	34%	0.337	S	S	.	.			trans	-72.6	102.3	166.8	-64.2	175.9	-65.3	163.6	-4	108.3	H25 V26 D27 V28	H25-R51 PolarHBondContact CE1-NH2 3.15Å; H25-R51 PolarHBondContact ND1-NH2 3.19Å; H25-R51 PolarHBondContact O-NH1 2.86Å; V26-R51 HydrophobicContact CB-CB 4.46Å; V26-R51 WeakPolarHBondContact CB-O 3.39Å; D27-R51 PolarHBondContact N-O 2.78Å; D27-R51 IonicContact OD1-CZ 3.4Å; D27-R51 IonicContact OD1-NE 3.19Å; D27-R51 PolarHBondContact OD1-NE 2.9Å; D27-R51 IonicContact OD1-NH2 2.75Å; D27-R51 PolarHBondContact OD1-NH2 2.82Å; D27-R51 WeakPolarHBondContact OD2-CB 3.28Å; D27-R51 PolarHBondContact OD2-N 3.11Å; D27-R51 IonicContact OD2-NE 3.41Å; D27-R51 PolarHBondContact OD2-NE 2.79Å; V28-R51 PolarHBondContact N-O 3.05Å
52	V	77.1	Confident	65.2	Low	8 Å²	8	65.7 Å²	65.7	5%	0.048	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	133.2	-179.5	-172.5	0	0	0	0	110.5	V28 I30 L44 A50 V114 S115	V28-V52 HydrophobicContact CB-CG2 4.3Å; V28-V52 CarbonylContact O-C 3.44Å; V28-V52 VanDerWaalsContact O-CA 3.28Å; V28-V52 WeakPolarHBondContact O-CA 3.29Å; I30-V52 HydrophobicContact CD1-CG1 3.59Å; I30-V52 HydrophobicContact CG1-CG1 4.26Å; L44-V52 HydrophobicContact CB-CG2 3.77Å; L44-V52 HydrophobicContact CD1-CG2 4.42Å; A50-V52 HydrophobicContact CB-CG2 4.28Å; A50-V52 PolarHBondContact O-N 2.8Å; A50-V52 VanDerWaalsContact O-N 3.15Å; V52-V114 HydrophobicContact CB-CG1 4.29Å; V52-V114 HydrophobicContact CB-CG2 4.17Å; V52-V114 HydrophobicContact CG1-CG1 4.22Å; V52-V114 WeakPolarHBondContact O-CG1 3.22Å; V52-S115 PolarHBondContact O-N 3.1Å
53	L	79.8	Confident	63.7	Low	0 Å²	0	67.2 Å²	67.2	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.9	173.9	166.6	61.7	0	0	0	109.7	L22 P23 V26 V28 L29 I30 L55 S115 F117 V143	L22-L53 HydrophobicContact CD1-CD1 4.27Å; L22-L53 HydrophobicContact CD1-CD2 3.98Å; P23-L53 HydrophobicContact CG-CD2 4.26Å; V26-L53 HydrophobicContact CB-CB 4.3Å; V26-L53 HydrophobicContact CG1-CB 3.81Å; V26-L53 HydrophobicContact CG1-CD2 4.14Å; V26-L53 HydrophobicContact CG2-CB 4.17Å; V26-L53 HydrophobicContact CG2-CD2 4.39Å; V28-L53 PolarHBondContact O-N 2.93Å; L29-L53 CarbonylContact C-O 3.59Å; L29-L53 WeakPolarHBondContact CA-O 3.36Å; L29-L53 HydrophobicContact CD1-CB 4Å; L29-L53 HydrophobicContact CD1-CD2 3.7Å; L29-L53 HydrophobicContact CD1-CG 3.54Å; I30-L53 PolarHBondContact N-O 3.07Å; L53-L55 HydrophobicContact CD1-CD2 3.83Å; L53-L55 HydrophobicContact CD2-CD2 4.39Å; L53-L55 HydrophobicContact CG-CD2 4.11Å; L53-L55 HydrophobicContact CG-CG 4.37Å; L53-S115 WeakPolarHBondContact CA-O 3.42Å; L53-S115 VanDerWaalsContact CD1-O 3.24Å; L53-S115 WeakPolarHBondContact CD1-O 3.12Å; L53-F117 HydrophobicContact CD1-CD2 3.29Å; L53-F117 HydrophobicContact CD1-CE2 3.73Å; L53-F117 HydrophobicContact CD1-CG 4.38Å; L53-V143 HydrophobicContact CD2-CG1 3.97Å
54	L	80.7	Confident	62.1	Low	3 Å²	3	69.8 Å²	69.8	2%	0.016	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.6	174.4	-176.1	150.7	0	0	0	111.6	I30 G37 L38 A41 E56 S115 F117	I30-L54 HydrophobicContact CB-CB 4.24Å; I30-L54 HydrophobicContact CB-CD1 4.24Å; I30-L54 HydrophobicContact CB-CG 4.19Å; I30-L54 HydrophobicContact CG2-CD1 3.89Å; I30-L54 HydrophobicContact CG2-CG 4.17Å; I30-L54 CarbonylContact O-C 3.57Å; I30-L54 WeakPolarHBondContact O-CA 3.33Å; G37-L54 WeakPolarHBondContact O-CD1 3.33Å; L38-L54 HydrophobicContact CD2-CD1 4.03Å; L38-L54 HydrophobicContact CG-CD1 4.29Å; A41-L54 HydrophobicContact CB-CD1 3.89Å; L54-E56 HydrophobicContact CD2-CB 4.2Å; L54-S115 PolarHBondContact N-O 2.91Å; L54-F117 PolarHBondContact O-N 3.16Å
55	L	77.2	Confident	60.6	Low	3 Å²	3	69.7 Å²	69.7	2%	0.016	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	121.8	179.9	-55.5	-177.7	0	0	0	110.8	L22 L29 I30 I31 G32 L53 F117 C120 V122	L22-L55 HydrophobicContact CD1-CD2 4.39Å; L29-L55 HydrophobicContact CD1-CD1 3.81Å; L29-L55 HydrophobicContact CD1-CG 3.82Å; I30-L55 PolarHBondContact O-N 3.19Å; I31-L55 CarbonylContact C-O 3.55Å; I31-L55 WeakPolarHBondContact CA-O 3.44Å; G32-L55 WeakPolarHBondContact CA-O 3.46Å; G32-L55 PolarHBondContact N-O 2.75Å; L53-L55 HydrophobicContact CD1-CD2 3.83Å; L53-L55 HydrophobicContact CD2-CD2 4.39Å; L53-L55 HydrophobicContact CG-CD2 4.11Å; L53-L55 HydrophobicContact CG-CG 4.37Å; L55-F117 HydrophobicContact CD2-CB 4.02Å; L55-C120 HydrophobicContact CD2-CB 4.01Å; L55-V122 HydrophobicContact CD1-CG2 3.47Å; L55-V122 VanDerWaalsContact CD1-CG2 3.47Å
56	E	67.3	Low	59.3	Low	50 Å²	50	75.5 Å²	75.5	23%	0.234	43%	0.427	C	S	.	.			trans	-116.7	145.5	-170.7	166.5	56.9	166.9	0	0	114.7	G32 G33 L54 G58	G32-E56 WeakPolarHBondContact CA-OE2 3.09Å; G33-E56 VanDerWaalsContact CA-CD 3.47Å; G33-E56 PolarHBondContact N-OE2 3.21Å; L54-E56 HydrophobicContact CD2-CB 4.2Å; E56-G58 WeakPolarHBondContact OE1-CA 3.48Å; E56-G58 PolarHBondContact OE1-N 2.79Å; E56-G58 PolarHBondContact OE2-N 2.87Å
57	R	63	Low	58	Low	149 Å²	149	78 Å²	78	56%	0.562	44%	0.435	S	S	*	.			trans	-122	-24.4	174.1	-160.7	-171.3	175.5	-168	-3.7	115.5	V155	R57-V155 HydrophobicContact CB-CG2 4.46Å
58	G	49.6	Very low	57.1	Low	41 Å²	41	73.5 Å²	73.5	42%	0.423	41%	0.408	S	S	.	.			trans	167.8	177.9	180	0	0	0	0	0	118	E56	E56-G58 WeakPolarHBondContact OE1-CA 3.48Å; E56-G58 PolarHBondContact OE1-N 2.79Å; E56-G58 PolarHBondContact OE2-N 2.87Å
59	R	42	Very low	56.4	Low	89 Å²	89	74.4 Å²	74.4	34%	0.336	41%	0.414	S	S	.	.			trans	-113.9	154.5	-163.4	-68.9	177.5	179.2	-136.2	4.1	120.8	Q98 F99 V102	R59-Q98 PolarHBondContact NH1-O 2.86Å; R59-F99 VanDerWaalsContact NH1-N 3.15Å; R59-V102 VanDerWaalsContact NH1-CG2 3.31Å; R59-V102 VanDerWaalsContact NH2-CB 3.33Å
60	A	32.8	Very low	55.7	Low	75 Å²	75	67.8 Å²	67.8	62%	0.62	38%	0.384	S	S	*	.			trans	-156.4	162	172.2	0	0	0	0	0	117.7
61	C	37.5	Very low	55.7	Low	87 Å²	87	68.5 Å²	68.5	59%	0.588	39%	0.394	S	S	*	.			trans	-154.3	164.9	-175.1	-69.1	0	0	0	0	116.7	Q98	C61-Q98 PolarHBondContact SG-NE2 3.01Å
62	G	36.4	Very low	55.2	Low	76 Å²	76	66.3 Å²	66.3	78%	0.784	39%	0.389	S	S	*	.			trans	-168.2	138.6	168	0	0	0	0	0	117.1
63	I	42.3	Very low	54.6	Low	112 Å²	112	66.6 Å²	66.6	57%	0.574	39%	0.39	S	S	*	.			trans	-144.2	157.1	-167.7	-47.8	174.7	0	0	0	114.9	V91 D93	I63-V91 HydrophobicContact CB-CG1 4.34Å; I63-V91 HydrophobicContact CG2-CG1 4.05Å; I63-D93 HydrophobicContact CB-CB 4.32Å; I63-D93 HydrophobicContact CD1-CB 3.63Å; I63-D93 HydrophobicContact CG2-CB 3.72Å
64	E	39.1	Very low	54.2	Low	165 Å²	165	68.7 Å²	68.7	77%	0.771	41%	0.408	S	S	*	.			trans	-78.9	150.6	-175.1	-177.5	-172.3	-174	0	0	117.5	V91	E64-V91 WeakPolarHBondContact O-CA 3.33Å; E64-V91 WeakPolarHBondContact O-CG1 3.45Å
65	A	41.3	Very low	54.1	Low	46 Å²	46	73.6 Å²	73.6	38%	0.38	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	147.7	-172.1	0	0	0	0	0	117.4	L89 V91	A65-L89 HydrophobicContact CB-CD1 3.95Å; A65-L89 HydrophobicContact CB-CD2 3.34Å; A65-L89 HydrophobicContact CB-CG 3.49Å; A65-L89 VanDerWaalsContact CB-CG 3.49Å; A65-V91 HydrophobicContact CB-CB 4.37Å; A65-V91 HydrophobicContact CB-CG2 3.72Å
66	K	43.4	Very low	54	Low	138 Å²	138	79.4 Å²	79.4	60%	0.6	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.4	178.9	172.3	-178.5	174.9	-171.2	0	112.6	L89 L90	K66-L89 VanDerWaalsContact C-CD1 3.43Å; K66-L89 CarbonylContact O-C 3.48Å; K66-L89 VanDerWaalsContact O-CA 3.32Å; K66-L89 WeakPolarHBondContact O-CA 3.31Å; K66-L90 PolarHBondContact N-O 2.63Å; K66-L90 PolarHBondContact O-N 2.8Å
67	M	43.4	Very low	54.3	Low	124 Å²	124	82.9 Å²	82.9	61%	0.611	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	133.7	171.8	-68.8	-77.1	-78	0	0	112.4	A87 A88 L89	M67-A87 HydrophobicContact CE-CB 3.79Å; M67-A88 CarbonylContact C-O 3.4Å; M67-A88 WeakPolarHBondContact CA-O 3.24Å; M67-L89 HydrophobicContact CG-CD1 3.97Å; M67-L89 HydrophobicContact SD-CD1 3.93Å
68	V	54.3	Low	55	Low	11 Å²	11	83.7 Å²	83.7	7%	0.067	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.6	175.7	-64.4	0	0	0	0	110.9	E72 V73 A88 L90	V68-E72 WeakPolarHBondContact CA-OE2 3.46Å; V68-E72 HydrophobicContact CB-CB 4.06Å; V68-V73 HydrophobicContact CG2-CG2 3.69Å; V68-A88 HydrophobicContact CG2-CB 3.73Å; V68-A88 PolarHBondContact N-O 2.81Å; V68-A88 PolarHBondContact O-N 2.73Å; V68-L90 HydrophobicContact CB-CB 4.48Å; V68-L90 HydrophobicContact CG1-CB 3.64Å; V68-L90 HydrophobicContact CG1-CD2 4.18Å; V68-L90 HydrophobicContact CG2-CB 3.96Å
69	S	57	Low	56.4	Low	61 Å²	61	86 Å²	86	43%	0.427	51%	0.508	S	S	.	.			trans	-72.8	161.1	177.5	64.5	0	0	0	0	112.3	G71 E72 V73	S69-G71 VanDerWaalsContact C-N 3.27Å; S69-G71 PolarHBondContact O-N 2.95Å; S69-E72 PolarHBondContact N-OE2 2.79Å; S69-E72 WeakPolarHBondContact O-CB 3.21Å; S69-E72 PolarHBondContact O-N 2.85Å; S69-E72 VanDerWaalsContact O-N 3.15Å; S69-E72 WeakPolarHBondContact OG-CB 3.29Å; S69-E72 WeakPolarHBondContact OG-CG 3.33Å; S69-E72 PolarHBondContact OG-N 3.26Å; S69-E72 PolarHBondContact OG-OE2 3.43Å; S69-V73 PolarHBondContact O-N 3.49Å
70	A	60.8	Low	57.7	Low	37 Å²	37	89.9 Å²	89.9	31%	0.306	52%	0.524	S	S	.	.	H	α-helix	trans	-59.3	-37.3	177	0	0	0	0	0	112.8	V73 A74 L85	A70-V73 PolarHBondContact O-N 3.46Å; A70-A74 PolarHBondContact O-N 3.27Å; A70-L85 HydrophobicContact CB-CB 4.34Å; A70-L85 HydrophobicContact CB-CD2 4.27Å; A70-L85 HydrophobicContact CB-CG 4.43Å
71	G	68.4	Low	59.5	Low	45 Å²	45	94.3 Å²	94.3	46%	0.464	53%	0.532	S	S	.	.	H	α-helix	trans	-63.7	-40.4	175.5	0	0	0	0	0	112.7	S69 V73 A74 C75	S69-G71 VanDerWaalsContact C-N 3.27Å; S69-G71 PolarHBondContact O-N 2.95Å; G71-V73 VanDerWaalsContact C-N 3.27Å; G71-V73 PolarHBondContact O-N 2.93Å; G71-A74 PolarHBondContact O-N 3.46Å; G71-C75 PolarHBondContact O-N 3.26Å
72	E	66.5	Low	60.8	Low	73 Å²	73	92.6 Å²	92.6	34%	0.341	52%	0.515	S	S	.	.	H	α-helix	trans	-65.5	-26.2	175.5	-81.2	175.4	113.6	0	0	113.8	V68 S69 R76	V68-E72 WeakPolarHBondContact CA-OE2 3.46Å; V68-E72 HydrophobicContact CB-CB 4.06Å; S69-E72 PolarHBondContact N-OE2 2.79Å; S69-E72 WeakPolarHBondContact O-CB 3.21Å; S69-E72 PolarHBondContact O-N 2.85Å; S69-E72 VanDerWaalsContact O-N 3.15Å; S69-E72 WeakPolarHBondContact OG-CB 3.29Å; S69-E72 WeakPolarHBondContact OG-CG 3.33Å; S69-E72 PolarHBondContact OG-N 3.26Å; S69-E72 PolarHBondContact OG-OE2 3.43Å; E72-R76 WeakPolarHBondContact O-CG 3.3Å; E72-R76 PolarHBondContact O-NH1 3.46Å
73	V	63.2	Low	61.8	Low	13 Å²	13	92.7 Å²	92.7	8%	0.079	51%	0.508	C	S	.	.	H	α-helix	trans	-80.2	-45	173.3	179.2	0	0	0	0	110.8	V68 S69 A70 G71 C75 R76 Y77 F82 L85 A88	V68-V73 HydrophobicContact CG2-CG2 3.69Å; S69-V73 PolarHBondContact O-N 3.49Å; A70-V73 PolarHBondContact O-N 3.46Å; G71-V73 VanDerWaalsContact C-N 3.27Å; G71-V73 PolarHBondContact O-N 2.93Å; V73-C75 VanDerWaalsContact C-N 3.31Å; V73-C75 PolarHBondContact O-N 2.93Å; V73-R76 PolarHBondContact O-N 3.22Å; V73-Y77 HydrophobicContact CG1-CD2 3.91Å; V73-Y77 PolarHBondContact O-N 2.99Å; V73-F82 HydrophobicContact CG1-CD1 3.81Å; V73-F82 HydrophobicContact CG1-CD2 4.24Å; V73-F82 HydrophobicContact CG1-CE1 3.48Å; V73-F82 VanDerWaalsContact CG1-CE1 3.48Å; V73-F82 HydrophobicContact CG1-CE2 3.93Å; V73-F82 HydrophobicContact CG1-CG 4.18Å; V73-F82 HydrophobicContact CG1-CZ 3.55Å; V73-L85 HydrophobicContact CB-CD2 3.71Å; V73-L85 HydrophobicContact CG1-CD2 3.82Å; V73-L85 HydrophobicContact CG2-CD2 3.8Å; V73-A88 HydrophobicContact CG2-CB 3.38Å
74	A	71.4	Confident	62.3	Low	45 Å²	45	94.5 Å²	94.5	37%	0.372	52%	0.519	S	S	.	.	H	α-helix	trans	-59.6	-40.7	179.4	0	0	0	0	0	112.3	A70 G71 R76 F82	A70-A74 PolarHBondContact O-N 3.27Å; G71-A74 PolarHBondContact O-N 3.46Å; A74-R76 VanDerWaalsContact C-N 3.29Å; A74-R76 PolarHBondContact O-N 2.9Å; A74-F82 HydrophobicContact CB-CD2 4.01Å
75	C	80	Confident	62.5	Low	105 Å²	105	89.2 Å²	89.2	71%	0.709	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.5	173.6	-74.6	0	0	0	0	113.9	G71 V73	G71-C75 PolarHBondContact O-N 3.26Å; V73-C75 VanDerWaalsContact C-N 3.31Å; V73-C75 PolarHBondContact O-N 2.93Å
76	R	75.4	Confident	62.4	Low	126 Å²	126	97 Å²	97	48%	0.475	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-31.9	-179.2	-78.6	-177.1	178.3	95.8	-4.1	113.3	E72 V73 A74	E72-R76 WeakPolarHBondContact O-CG 3.3Å; E72-R76 PolarHBondContact O-NH1 3.46Å; V73-R76 PolarHBondContact O-N 3.22Å; A74-R76 VanDerWaalsContact C-N 3.29Å; A74-R76 PolarHBondContact O-N 2.9Å
77	Y	73.7	Confident	62.3	Low	122 Å²	122	92.9 Å²	92.9	48%	0.478	51%	0.512	S	S	.	.	S	Bend	trans	-124	64.6	-173.5	-62.4	-75.3	0	0	0	110.2	V73 G79 Y80 F82	V73-Y77 HydrophobicContact CG1-CD2 3.91Å; V73-Y77 PolarHBondContact O-N 2.99Å; Y77-G79 PolarHBondContact O-N 3.02Å; Y77-Y80 PolarHBondContact O-N 3.38Å; Y77-F82 HydrophobicContact CD2-CZ 4.48Å; Y77-F82 HydrophobicContact CG-CZ 4.44Å; Y77-F82 WeakPolarHBondContact O-CE2 3.37Å
78	E	77.4	Confident	62.4	Low	167 Å²	167	87.9 Å²	87.9	78%	0.78	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	138.1	174.9	-64.3	-176.7	178.9	0	0	110.8
79	G	78.4	Confident	61.9	Low	88 Å²	88	92 Å²	92	91%	0.907	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	93	-5.2	-178.7	0	0	0	0	0	115.7	Y77	Y77-G79 PolarHBondContact O-N 3.02Å
80	Y	69.3	Low	61.7	Low	171 Å²	171	90.7 Å²	90.7	67%	0.671	50%	0.5	S	S	*	.	S	Bend	trans	-101.5	143.2	172.5	-67.7	-95.8	0	0	0	111.1	Y77 F82	Y77-Y80 PolarHBondContact O-N 3.38Å; Y80-F82 HydrophobicContact CG-CZ 4.22Å; Y80-F82 WeakPolarHBondContact O-CD2 3.21Å
81	E	70.8	Confident	61.2	Low	168 Å²	168	91.3 Å²	91.3	79%	0.785	50%	0.5	S	S	*	.			trans	-87	118.2	177.1	-165	-164.9	162.9	0	0	110.7	A83	E81-A83 HydrophobicContact CG-CB 4.18Å
82	F	64.1	Low	60.4	Low	52 Å²	52	95.8 Å²	95.8	23%	0.228	51%	0.513	C	S	.	.			trans	-114.1	19.2	178.9	-58.6	-69.7	0	0	0	113.1	V73 A74 Y77 Y80 N84 L85	V73-F82 HydrophobicContact CG1-CD1 3.81Å; V73-F82 HydrophobicContact CG1-CD2 4.24Å; V73-F82 HydrophobicContact CG1-CE1 3.48Å; V73-F82 VanDerWaalsContact CG1-CE1 3.48Å; V73-F82 HydrophobicContact CG1-CE2 3.93Å; V73-F82 HydrophobicContact CG1-CG 4.18Å; V73-F82 HydrophobicContact CG1-CZ 3.55Å; A74-F82 HydrophobicContact CB-CD2 4.01Å; Y77-F82 HydrophobicContact CD2-CZ 4.48Å; Y77-F82 HydrophobicContact CG-CZ 4.44Å; Y77-F82 WeakPolarHBondContact O-CE2 3.37Å; Y80-F82 HydrophobicContact CG-CZ 4.22Å; Y80-F82 WeakPolarHBondContact O-CD2 3.21Å; F82-N84 PolarHBondContact O-N 3.36Å; F82-L85 HydrophobicContact CB-CB 3.95Å; F82-L85 HydrophobicContact CB-CD2 4.14Å; F82-L85 HydrophobicContact CD1-CD2 3.86Å; F82-L85 HydrophobicContact CG-CD2 4.22Å; F82-L85 VanDerWaalsContact O-CB 3.26Å; F82-L85 WeakPolarHBondContact O-CB 3.38Å; F82-L85 PolarHBondContact O-N 3.31Å
83	A	57.8	Low	60	Low	78 Å²	78	95.6 Å²	95.6	65%	0.645	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-28.2	-172.7	0	0	0	0	0	113.9	E81	E81-A83 HydrophobicContact CG-CB 4.18Å
84	N	52.2	Low	59.5	Low	149 Å²	149	103.4 Å²	103.4	80%	0.797	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	10.1	179.1	-65.3	-46.2	0	0	0	114	F82 K86	F82-N84 PolarHBondContact O-N 3.36Å; N84-K86 PolarHBondContact O-N 3.07Å
85	L	44.4	Very low	59	Low	54 Å²	54	110.6 Å²	110.6	28%	0.283	57%	0.571	S	S	.	*			trans	-74.1	112.6	-178.4	-176	66.9	0	0	0	110.7	A70 V73 F82 A87 A88	A70-L85 HydrophobicContact CB-CB 4.34Å; A70-L85 HydrophobicContact CB-CD2 4.27Å; A70-L85 HydrophobicContact CB-CG 4.43Å; V73-L85 HydrophobicContact CB-CD2 3.71Å; V73-L85 HydrophobicContact CG1-CD2 3.82Å; V73-L85 HydrophobicContact CG2-CD2 3.8Å; F82-L85 HydrophobicContact CB-CB 3.95Å; F82-L85 HydrophobicContact CB-CD2 4.14Å; F82-L85 HydrophobicContact CD1-CD2 3.86Å; F82-L85 HydrophobicContact CG-CD2 4.22Å; F82-L85 VanDerWaalsContact O-CB 3.26Å; F82-L85 WeakPolarHBondContact O-CB 3.38Å; F82-L85 PolarHBondContact O-N 3.31Å; L85-A87 WeakPolarHBondContact CD1-O 3.48Å; L85-A88 HydrophobicContact CD1-CB 4.38Å; L85-A88 HydrophobicContact CD2-CB 4.16Å
86	K	39.6	Very low	58.4	Low	210 Å²	210	109.9 Å²	109.9	91%	0.913	56%	0.563	S	S	*	*			trans	-88.5	-30.3	-177.3	-64.4	-175.1	179.1	-178.7	0	114	N84	N84-K86 PolarHBondContact O-N 3.07Å
87	A	40.2	Very low	58.4	Low	51 Å²	51	108.3 Å²	108.3	42%	0.421	56%	0.564	S	S	.	*			trans	-163.2	153.7	175.5	0	0	0	0	0	108.1	M67 L85	M67-A87 HydrophobicContact CE-CB 3.79Å; L85-A87 WeakPolarHBondContact CD1-O 3.48Å
88	A	45.1	Very low	58.4	Low	20 Å²	20	107 Å²	107	17%	0.165	56%	0.562	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.9	151.7	169	0	0	0	0	0	110.1	M67 V68 V73 L85	M67-A88 CarbonylContact C-O 3.4Å; M67-A88 WeakPolarHBondContact CA-O 3.24Å; V68-A88 HydrophobicContact CG2-CB 3.73Å; V68-A88 PolarHBondContact N-O 2.81Å; V68-A88 PolarHBondContact O-N 2.73Å; V73-A88 HydrophobicContact CG2-CB 3.38Å; L85-A88 HydrophobicContact CD1-CB 4.38Å; L85-A88 HydrophobicContact CD2-CB 4.16Å
89	L	43.6	Very low	58.3	Low	98 Å²	98	103.4 Å²	103.4	51%	0.513	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	107.3	176.1	-169.4	77.5	0	0	0	107	A65 K66 M67 V91	A65-L89 HydrophobicContact CB-CD1 3.95Å; A65-L89 HydrophobicContact CB-CD2 3.34Å; A65-L89 HydrophobicContact CB-CG 3.49Å; A65-L89 VanDerWaalsContact CB-CG 3.49Å; K66-L89 VanDerWaalsContact C-CD1 3.43Å; K66-L89 CarbonylContact O-C 3.48Å; K66-L89 VanDerWaalsContact O-CA 3.32Å; K66-L89 WeakPolarHBondContact O-CA 3.31Å; M67-L89 HydrophobicContact CG-CD1 3.97Å; M67-L89 HydrophobicContact SD-CD1 3.93Å; L89-V91 PolarHBondContact O-N 2.88Å
90	L	53.5	Low	58.4	Low	33 Å²	33	102.6 Å²	102.6	17%	0.173	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	109	172.1	-176.3	67.6	0	0	0	109	K66 V68	K66-L90 PolarHBondContact N-O 2.63Å; K66-L90 PolarHBondContact O-N 2.8Å; V68-L90 HydrophobicContact CB-CB 4.48Å; V68-L90 HydrophobicContact CG1-CB 3.64Å; V68-L90 HydrophobicContact CG1-CD2 4.18Å; V68-L90 HydrophobicContact CG2-CB 3.96Å
91	V	50.2	Low	58.9	Low	49 Å²	49	95.3 Å²	95.3	30%	0.297	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	116.9	167.1	-171.3	0	0	0	0	106.2	I63 E64 A65 L89 D93	I63-V91 HydrophobicContact CB-CG1 4.34Å; I63-V91 HydrophobicContact CG2-CG1 4.05Å; E64-V91 WeakPolarHBondContact O-CA 3.33Å; E64-V91 WeakPolarHBondContact O-CG1 3.45Å; A65-V91 HydrophobicContact CB-CB 4.37Å; A65-V91 HydrophobicContact CB-CG2 3.72Å; L89-V91 PolarHBondContact O-N 2.88Å; V91-D93 HydrophobicContact CG1-CB 3.65Å; V91-D93 PolarHBondContact O-N 3.01Å
92	N	51.2	Low	59.5	Low	139 Å²	139	87.7 Å²	87.7	74%	0.743	46%	0.462	S	S	*	.			trans	-76.3	64.9	166.3	-93	-12.1	0	0	0	107.3
93	D	57.7	Low	60.6	Low	70 Å²	70	87.9 Å²	87.9	37%	0.374	46%	0.463	S	S	.	.			trans	-93	148.6	170.1	65.2	23.6	0	0	0	110.2	I63 V91	I63-D93 HydrophobicContact CB-CB 4.32Å; I63-D93 HydrophobicContact CD1-CB 3.63Å; I63-D93 HydrophobicContact CG2-CB 3.72Å; V91-D93 HydrophobicContact CG1-CB 3.65Å; V91-D93 PolarHBondContact O-N 3.01Å
94	F	54.4	Low	61.8	Low	176 Å²	176	87.5 Å²	87.5	77%	0.772	46%	0.456	S	S	*	.			trans	-84.7	128.3	153.6	-60.7	-79.4	0	0	0	105.6	V96	F94-V96 HydrophobicContact CB-CG2 3.98Å; F94-V96 PolarHBondContact O-N 3.36Å
95	K	60.8	Low	63.4	Low	197 Å²	197	83.2 Å²	83.2	86%	0.857	43%	0.43	S	S	*	.			trans	-67.4	84.1	159.4	-69.1	-174.6	-177.4	179.2	0	107.2	N97	K95-N97 PolarHBondContact O-N 3.25Å
96	V	67	Low	65.3	Low	90 Å²	90	80.7 Å²	80.7	55%	0.545	42%	0.417	S	S	.	.			trans	-74.6	126.8	167.7	-171.1	0	0	0	0	105.7	F94 Q98 A101	F94-V96 HydrophobicContact CB-CG2 3.98Å; F94-V96 PolarHBondContact O-N 3.36Å; V96-Q98 VanDerWaalsContact C-N 3.27Å; V96-Q98 PolarHBondContact O-N 2.83Å; V96-A101 HydrophobicContact CG1-CB 3.6Å
97	N	76.1	Confident	67.5	Low	92 Å²	92	71.8 Å²	71.8	49%	0.492	39%	0.385	S	S	.	.			trans	-61.2	101	164.1	-178	-42.3	0	0	0	106.6	K95 F99 T100 A101	K95-N97 PolarHBondContact O-N 3.25Å; N97-F99 PolarHBondContact O-N 2.78Å; N97-F99 VanDerWaalsContact O-N 3.15Å; N97-F99 WeakPolarHBondContact OD1-CA 3.48Å; N97-F99 WeakPolarHBondContact OD1-CB 3.36Å; N97-F99 PolarHBondContact OD1-N 3.09Å; N97-T100 VanDerWaalsContact CG-OG1 3.24Å; N97-T100 WeakPolarHBondContact O-CA 3.39Å; N97-T100 WeakPolarHBondContact O-CB 3.4Å; N97-T100 PolarHBondContact O-N 3.04Å; N97-T100 PolarHBondContact OD1-N 3.12Å; N97-T100 PolarHBondContact OD1-OG1 3.18Å; N97-A101 PolarHBondContact O-N 3.34Å
98	Q	73.3	Confident	69.7	Low	96 Å²	96	70.2 Å²	70.2	45%	0.449	37%	0.372	S	S	.	.	H	α-helix	trans	-54.2	-39	-175.5	-65.7	175.4	-17.5	0	0	109.8	R59 C61 V96 A101 V102	R59-Q98 PolarHBondContact NH1-O 2.86Å; C61-Q98 PolarHBondContact SG-NE2 3.01Å; V96-Q98 VanDerWaalsContact C-N 3.27Å; V96-Q98 PolarHBondContact O-N 2.83Å; Q98-A101 PolarHBondContact O-N 3.13Å; Q98-V102 VanDerWaalsContact O-CG2 3.28Å; Q98-V102 WeakPolarHBondContact O-CG2 3.38Å; Q98-V102 PolarHBondContact O-N 2.74Å; Q98-V102 VanDerWaalsContact O-N 3.11Å
99	F	75	Confident	71.5	Confident	91 Å²	91	69.2 Å²	69.2	40%	0.399	36%	0.364	S	S	.	.	H	α-helix	trans	-56.7	-51.3	176.6	-71.6	-72.9	0	0	0	111.1	G10 L12 R59 N97 Q103	G10-F99 WeakPolarHBondContact O-CE1 3.41Å; L12-F99 VanDerWaalsContact CD1-C 3.46Å; L12-F99 HydrophobicContact CD1-CB 3.3Å; L12-F99 HydrophobicContact CD1-CD1 3.72Å; L12-F99 HydrophobicContact CD1-CG 3.96Å; L12-F99 VanDerWaalsContact CD1-O 3.23Å; L12-F99 WeakPolarHBondContact CD1-O 3.36Å; L12-F99 HydrophobicContact CG-CB 4.27Å; L12-F99 HydrophobicContact CG-CD1 3.95Å; R59-F99 VanDerWaalsContact NH1-N 3.15Å; N97-F99 PolarHBondContact O-N 2.78Å; N97-F99 VanDerWaalsContact O-N 3.15Å; N97-F99 WeakPolarHBondContact OD1-CA 3.48Å; N97-F99 WeakPolarHBondContact OD1-CB 3.36Å; N97-F99 PolarHBondContact OD1-N 3.09Å; F99-Q103 WeakPolarHBondContact O-CG 2.74Å; F99-Q103 PolarHBondContact O-N 3.44Å
100	T	79.4	Confident	73.7	Confident	70 Å²	70	67.4 Å²	67.4	43%	0.429	36%	0.359	S	S	.	.	H	α-helix	trans	-62.9	-44	174.6	-52.2	0	0	0	0	113	N97 V102 Q103 S104	N97-T100 VanDerWaalsContact CG-OG1 3.24Å; N97-T100 WeakPolarHBondContact O-CA 3.39Å; N97-T100 WeakPolarHBondContact O-CB 3.4Å; N97-T100 PolarHBondContact O-N 3.04Å; N97-T100 PolarHBondContact OD1-N 3.12Å; N97-T100 PolarHBondContact OD1-OG1 3.18Å; T100-V102 PolarHBondContact O-N 3.41Å; T100-Q103 WeakPolarHBondContact O-CB 3.48Å; T100-Q103 PolarHBondContact O-N 2.76Å; T100-Q103 VanDerWaalsContact O-N 3.14Å; T100-S104 PolarHBondContact O-N 3.5Å; T100-S104 PolarHBondContact O-OG 3.17Å; T100-S104 VanDerWaalsContact O-OG 3.07Å
101	A	80.3	Confident	75.5	Confident	18 Å²	18	75.1 Å²	75.1	15%	0.149	39%	0.386	C	S	.	.	H	α-helix	trans	-57.1	-50.8	-178.4	0	0	0	0	0	111.9	V96 N97 Q98 Q103 S104 F105	V96-A101 HydrophobicContact CG1-CB 3.6Å; N97-A101 PolarHBondContact O-N 3.34Å; Q98-A101 PolarHBondContact O-N 3.13Å; A101-Q103 VanDerWaalsContact C-N 3.27Å; A101-Q103 PolarHBondContact O-N 2.69Å; A101-S104 WeakPolarHBondContact O-CB 2.91Å; A101-S104 PolarHBondContact O-N 3.45Å; A101-S104 VanDerWaalsContact O-N 3.12Å; A101-F105 VanDerWaalsContact O-CD2 3.29Å; A101-F105 WeakPolarHBondContact O-CD2 3.43Å; A101-F105 PolarHBondContact O-N 2.9Å
102	V	84.7	Confident	77.5	Confident	9 Å²	9	74.5 Å²	74.5	6%	0.055	39%	0.386	C	S	.	.	H	α-helix	trans	-63.1	-36.7	179.9	178	0	0	0	0	110.2	F14 G33 L38 R59 Q98 T100 F105 A106	F14-V102 HydrophobicContact CE1-CB 4.33Å; F14-V102 HydrophobicContact CE1-CG1 3.72Å; F14-V102 HydrophobicContact CE2-CG1 3.93Å; F14-V102 HydrophobicContact CZ-CB 4.11Å; F14-V102 HydrophobicContact CZ-CG1 3.14Å; G33-V102 WeakPolarHBondContact O-CG1 3.49Å; L38-V102 HydrophobicContact CD1-CB 3.97Å; L38-V102 HydrophobicContact CD1-CG1 3.28Å; L38-V102 HydrophobicContact CD1-CG2 4.39Å; L38-V102 WeakPolarHBondContact CD1-O 3.37Å; R59-V102 VanDerWaalsContact NH1-CG2 3.31Å; R59-V102 VanDerWaalsContact NH2-CB 3.33Å; Q98-V102 VanDerWaalsContact O-CG2 3.28Å; Q98-V102 WeakPolarHBondContact O-CG2 3.38Å; Q98-V102 PolarHBondContact O-N 2.74Å; Q98-V102 VanDerWaalsContact O-N 3.11Å; T100-V102 PolarHBondContact O-N 3.41Å; V102-F105 PolarHBondContact O-N 3.47Å; V102-A106 VanDerWaalsContact O-CB 3.29Å; V102-A106 WeakPolarHBondContact O-CB 3.34Å; V102-A106 PolarHBondContact O-N 3.23Å
103	Q	85.2	Confident	79.3	Confident	56 Å²	56	70.8 Å²	70.8	26%	0.262	38%	0.381	S	S	.	.	H	α-helix	trans	-65	-41.9	172.8	-75.4	177.5	-43.2	0	0	113.1	L12 F14 F99 T100 A101 F105 A106 G107	L12-Q103 HydrophobicContact CB-CG 4.44Å; L12-Q103 HydrophobicContact CD1-CG 3.69Å; F14-Q103 HydrophobicContact CD1-CB 4.32Å; F14-Q103 HydrophobicContact CD1-CG 3.83Å; F14-Q103 VanDerWaalsContact CE1-CA 3.44Å; F14-Q103 HydrophobicContact CE1-CB 4.08Å; F14-Q103 HydrophobicContact CE1-CG 3.48Å; F14-Q103 VanDerWaalsContact CE1-CG 3.48Å; F99-Q103 WeakPolarHBondContact O-CG 2.74Å; F99-Q103 PolarHBondContact O-N 3.44Å; T100-Q103 WeakPolarHBondContact O-CB 3.48Å; T100-Q103 PolarHBondContact O-N 2.76Å; T100-Q103 VanDerWaalsContact O-N 3.14Å; A101-Q103 VanDerWaalsContact C-N 3.27Å; A101-Q103 PolarHBondContact O-N 2.69Å; Q103-F105 VanDerWaalsContact C-N 3.34Å; Q103-A106 PolarHBondContact O-N 3.41Å; Q103-G107 PolarHBondContact O-N 2.85Å
104	S	84.5	Confident	80.8	Confident	70 Å²	70	67.8 Å²	67.8	49%	0.49	37%	0.366	S	S	.	.	H	α-helix	trans	-62.3	-44.6	178.5	-60.9	0	0	0	0	111	T100 A101 A108	T100-S104 PolarHBondContact O-N 3.5Å; T100-S104 PolarHBondContact O-OG 3.17Å; T100-S104 VanDerWaalsContact O-OG 3.07Å; A101-S104 WeakPolarHBondContact O-CB 2.91Å; A101-S104 PolarHBondContact O-N 3.45Å; A101-S104 VanDerWaalsContact O-N 3.12Å; S104-A108 VanDerWaalsContact O-CB 3.29Å; S104-A108 WeakPolarHBondContact O-CB 3.29Å; S104-A108 PolarHBondContact O-N 2.63Å
105	F	85	Confident	82.6	Confident	58 Å²	58	61.9 Å²	61.9	25%	0.254	35%	0.346	S	S	.	.	H	α-helix	trans	-68.1	-46.2	175.9	-81	-75.2	0	0	0	112.8	L35 L38 Y42 A101 V102 Q103 G107 A108 A109	L35-F105 HydrophobicContact CD1-CD2 4Å; L35-F105 HydrophobicContact CD1-CE2 3.52Å; L35-F105 HydrophobicContact CD1-CZ 4.29Å; L38-F105 HydrophobicContact CB-CB 3.75Å; L38-F105 HydrophobicContact CB-CG 4.29Å; L38-F105 HydrophobicContact CD1-CB 3.92Å; L38-F105 HydrophobicContact CD2-CB 4.33Å; L38-F105 HydrophobicContact CG-CB 4.24Å; Y42-F105 HydrophobicContact CD1-CE1 4.49Å; Y42-F105 HydrophobicContact CG-CD1 4.35Å; A101-F105 VanDerWaalsContact O-CD2 3.29Å; A101-F105 WeakPolarHBondContact O-CD2 3.43Å; A101-F105 PolarHBondContact O-N 2.9Å; V102-F105 PolarHBondContact O-N 3.47Å; Q103-F105 VanDerWaalsContact C-N 3.34Å; F105-G107 VanDerWaalsContact C-N 3.31Å; F105-G107 PolarHBondContact O-N 2.87Å; F105-A108 CarbonylContact O-C 3.32Å; F105-A108 PolarHBondContact O-N 2.99Å; F105-A108 VanDerWaalsContact O-N 3.08Å; F105-A109 WeakPolarHBondContact O-CB 3.37Å; F105-A109 PolarHBondContact O-N 3.48Å
106	A	85.2	Confident	83.9	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-58.8	-45.1	178	0	0	0	0	0	111	F14 L38 V102 Q103 A108 A109 S110 I116	F14-A106 HydrophobicContact CB-CB 3.87Å; F14-A106 HydrophobicContact CD1-CB 3.29Å; F14-A106 HydrophobicContact CD2-CB 4.06Å; F14-A106 HydrophobicContact CE1-CB 3.92Å; F14-A106 HydrophobicContact CG-CB 3.41Å; F14-A106 VanDerWaalsContact CG-CB 3.41Å; L38-A106 HydrophobicContact CD2-CB 4.03Å; V102-A106 VanDerWaalsContact O-CB 3.29Å; V102-A106 WeakPolarHBondContact O-CB 3.34Å; V102-A106 PolarHBondContact O-N 3.23Å; Q103-A106 PolarHBondContact O-N 3.41Å; A106-A108 VanDerWaalsContact C-N 3.33Å; A106-A108 PolarHBondContact O-N 3.28Å; A106-A109 PolarHBondContact O-N 2.87Å; A106-S110 WeakPolarHBondContact O-CB 3.28Å; A106-S110 PolarHBondContact O-N 3.08Å; A106-S110 PolarHBondContact O-OG 3.1Å; A106-I116 HydrophobicContact CB-CD1 3.97Å; A106-I116 WeakPolarHBondContact O-CD1 3.48Å
107	G	84.5	Confident	85.1	Confident	24 Å²	24	48.8 Å²	48.8	25%	0.247	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-36.5	174.6	0	0	0	0	0	113.2	Q103 F105 R111	Q103-G107 PolarHBondContact O-N 2.85Å; F105-G107 VanDerWaalsContact C-N 3.31Å; F105-G107 PolarHBondContact O-N 2.87Å; G107-R111 VanDerWaalsContact C-NH1 3.28Å; G107-R111 WeakPolarHBondContact O-CB 3.28Å; G107-R111 VanDerWaalsContact O-CG 3.3Å; G107-R111 WeakPolarHBondContact O-CG 3.47Å; G107-R111 VanDerWaalsContact O-CZ 3.29Å; G107-R111 PolarHBondContact O-N 3.39Å; G107-R111 PolarHBondContact O-NH1 3.48Å
108	A	86.8	Confident	85.6	Confident	17 Å²	17	46 Å²	46	14%	0.14	27%	0.266	C	S	.	.	H	α-helix	trans	-68.6	-43.5	175.7	0	0	0	0	0	112.1	Y42 S104 F105 A106 R111 A112	Y42-A108 HydrophobicContact CD2-CB 3.69Å; Y42-A108 HydrophobicContact CE2-CB 3.91Å; S104-A108 VanDerWaalsContact O-CB 3.29Å; S104-A108 WeakPolarHBondContact O-CB 3.29Å; S104-A108 PolarHBondContact O-N 2.63Å; F105-A108 CarbonylContact O-C 3.32Å; F105-A108 PolarHBondContact O-N 2.99Å; F105-A108 VanDerWaalsContact O-N 3.08Å; A106-A108 VanDerWaalsContact C-N 3.33Å; A106-A108 PolarHBondContact O-N 3.28Å; A108-R111 PolarHBondContact O-N 2.94Å; A108-A112 PolarHBondContact O-N 3.05Å
109	A	83.9	Confident	86.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.6	-47.9	175.1	0	0	0	0	0	111.1	A41 F105 A106 R111 A112 G113 V114 I116	A41-A109 HydrophobicContact CB-CB 4.35Å; F105-A109 WeakPolarHBondContact O-CB 3.37Å; F105-A109 PolarHBondContact O-N 3.48Å; A106-A109 PolarHBondContact O-N 2.87Å; A109-R111 VanDerWaalsContact C-N 3.32Å; A109-R111 PolarHBondContact O-N 3.43Å; A109-A112 CarbonylContact O-C 2.7Å; A109-A112 WeakPolarHBondContact O-CA 3.47Å; A109-A112 WeakPolarHBondContact O-CB 3.36Å; A109-A112 PolarHBondContact O-N 2.89Å; A109-G113 PolarHBondContact O-N 2.72Å; A109-V114 HydrophobicContact CB-CB 3.96Å; A109-V114 HydrophobicContact CB-CG1 4.38Å; A109-V114 HydrophobicContact CB-CG2 3.95Å; A109-V114 VanDerWaalsContact O-CB 3.3Å; A109-V114 WeakPolarHBondContact O-CB 3.09Å; A109-V114 WeakPolarHBondContact O-CG2 3.11Å; A109-V114 PolarHBondContact O-N 2.74Å; A109-I116 HydrophobicContact CB-CD1 4.34Å
110	S	89.3	Confident	86.8	Confident	59 Å²	59	43.3 Å²	43.3	41%	0.413	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-38.6	175.8	-62.6	0	0	0	0	112.8	A106 A112 G113 I116	A106-S110 WeakPolarHBondContact O-CB 3.28Å; A106-S110 PolarHBondContact O-N 3.08Å; A106-S110 PolarHBondContact O-OG 3.1Å; S110-A112 PolarHBondContact O-N 3.14Å; S110-G113 PolarHBondContact O-N 2.94Å; S110-I116 WeakPolarHBondContact OG-CD1 3.29Å
111	R	91.5	Very high	87.2	Confident	195 Å²	195	43 Å²	43	74%	0.736	26%	0.258	S	S	*	.	H	α-helix	trans	-66.2	-25.8	173.6	-76.7	-172.2	-56.7	-85.1	3.3	113.2	G107 A108 A109	G107-R111 VanDerWaalsContact C-NH1 3.28Å; G107-R111 WeakPolarHBondContact O-CB 3.28Å; G107-R111 VanDerWaalsContact O-CG 3.3Å; G107-R111 WeakPolarHBondContact O-CG 3.47Å; G107-R111 VanDerWaalsContact O-CZ 3.29Å; G107-R111 PolarHBondContact O-N 3.39Å; G107-R111 PolarHBondContact O-NH1 3.48Å; A108-R111 PolarHBondContact O-N 2.94Å; A109-R111 VanDerWaalsContact C-N 3.32Å; A109-R111 PolarHBondContact O-N 3.43Å
112	A	91.1	Very high	87.5	Confident	36 Å²	36	43.2 Å²	43.2	30%	0.298	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	3.3	173.1	0	0	0	0	0	112.9	T46 A108 A109 S110	T46-A112 HydrophobicContact CG2-CB 4.03Å; A108-A112 PolarHBondContact O-N 3.05Å; A109-A112 CarbonylContact O-C 2.7Å; A109-A112 WeakPolarHBondContact O-CA 3.47Å; A109-A112 WeakPolarHBondContact O-CB 3.36Å; A109-A112 PolarHBondContact O-N 2.89Å; S110-A112 PolarHBondContact O-N 3.14Å
113	G	89.3	Confident	87.7	Confident	62 Å²	62	48.3 Å²	48.3	64%	0.639	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	5.9	178	0	0	0	0	0	115.1	A109 S110 S115	A109-G113 PolarHBondContact O-N 2.72Å; S110-G113 PolarHBondContact O-N 2.94Å; G113-S115 PolarHBondContact O-N 3.21Å
114	V	89.9	Confident	87.7	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.042	28%	0.284	C	S	.	.			trans	-69.7	129	175.6	-178	0	0	0	0	109.8	A41 V52 A109 I116	A41-V114 HydrophobicContact CB-CG1 4.46Å; V52-V114 HydrophobicContact CB-CG1 4.29Å; V52-V114 HydrophobicContact CB-CG2 4.17Å; V52-V114 HydrophobicContact CG1-CG1 4.22Å; V52-V114 WeakPolarHBondContact O-CG1 3.22Å; A109-V114 HydrophobicContact CB-CB 3.96Å; A109-V114 HydrophobicContact CB-CG1 4.38Å; A109-V114 HydrophobicContact CB-CG2 3.95Å; A109-V114 VanDerWaalsContact O-CB 3.3Å; A109-V114 WeakPolarHBondContact O-CB 3.09Å; A109-V114 WeakPolarHBondContact O-CG2 3.11Å; A109-V114 PolarHBondContact O-N 2.74Å; V114-I116 HydrophobicContact CG1-CG1 4.17Å
115	S	91.4	Very high	87.9	Confident	51 Å²	51	46 Å²	46	36%	0.357	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	122.5	173	-58	0	0	0	0	109.6	V52 L53 L54 G113	V52-S115 PolarHBondContact O-N 3.1Å; L53-S115 WeakPolarHBondContact CA-O 3.42Å; L53-S115 VanDerWaalsContact CD1-O 3.24Å; L53-S115 WeakPolarHBondContact CD1-O 3.12Å; L54-S115 PolarHBondContact N-O 2.91Å; G113-S115 PolarHBondContact O-N 3.21Å
116	I	89.7	Confident	88.2	Confident	9 Å²	9	47.4 Å²	47.4	5%	0.046	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	120.1	-177.8	-57.2	179.6	0	0	0	108	G16 A17 A106 A109 S110 V114	G16-I116 CarbonylContact C-O 3.46Å; G16-I116 WeakPolarHBondContact CA-O 3.47Å; A17-I116 PolarHBondContact N-O 2.91Å; A106-I116 HydrophobicContact CB-CD1 3.97Å; A106-I116 WeakPolarHBondContact O-CD1 3.48Å; A109-I116 HydrophobicContact CB-CD1 4.34Å; S110-I116 WeakPolarHBondContact OG-CD1 3.29Å; V114-I116 HydrophobicContact CG1-CG1 4.17Å
117	F	90.8	Very high	88.3	Confident	4 Å²	4	51 Å²	51	2%	0.018	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.5	180	-68.3	-98.9	0	0	0	110.6	A17 N18 L19 D21 L22 L53 L54 L55 C120	A17-F117 HydrophobicContact CB-CD1 3.77Å; A17-F117 HydrophobicContact CB-CD2 4.19Å; A17-F117 HydrophobicContact CB-CE1 3.42Å; A17-F117 VanDerWaalsContact CB-CE1 3.42Å; A17-F117 HydrophobicContact CB-CE2 3.93Å; A17-F117 HydrophobicContact CB-CG 4.16Å; A17-F117 HydrophobicContact CB-CZ 3.49Å; A17-F117 VanDerWaalsContact CB-CZ 3.49Å; A17-F117 VanDerWaalsContact O-CD1 3.28Å; A17-F117 WeakPolarHBondContact O-CD1 3.3Å; N18-F117 WeakPolarHBondContact O-CE1 3.46Å; L19-F117 HydrophobicContact CD2-CB 3.99Å; L19-F117 HydrophobicContact CD2-CD1 4.38Å; D21-F117 VanDerWaalsContact C-CE1 3.46Å; D21-F117 VanDerWaalsContact C-CZ 3.49Å; D21-F117 HydrophobicContact CB-CE1 4.12Å; D21-F117 HydrophobicContact CB-CZ 4.38Å; D21-F117 WeakPolarHBondContact O-CZ 3.49Å; L22-F117 VanDerWaalsContact CA-CZ 3.48Å; L22-F117 HydrophobicContact CB-CD1 4.46Å; L22-F117 HydrophobicContact CB-CE1 4.18Å; L22-F117 HydrophobicContact CB-CZ 4.41Å; L22-F117 HydrophobicContact CD1-CB 4.2Å; L22-F117 HydrophobicContact CD1-CD1 4.06Å; L22-F117 HydrophobicContact CD1-CD2 3.71Å; L22-F117 HydrophobicContact CD1-CE1 4.3Å; L22-F117 HydrophobicContact CD1-CE2 3.95Å; L22-F117 HydrophobicContact CD1-CG 3.73Å; L22-F117 HydrophobicContact CD1-CZ 4.27Å; L22-F117 VanDerWaalsContact N-CE1 3.34Å; L53-F117 HydrophobicContact CD1-CD2 3.29Å; L53-F117 HydrophobicContact CD1-CE2 3.73Å; L53-F117 HydrophobicContact CD1-CG 4.38Å; L54-F117 PolarHBondContact O-N 3.16Å; L55-F117 HydrophobicContact CD2-CB 4.02Å; F117-C120 HydrophobicContact CB-CB 4.25Å
118	E	87.4	Confident	88.4	Confident	33 Å²	33	54.2 Å²	54.2	15%	0.154	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	147.3	-179.8	-59.5	-177.2	112	0	0	110.6	S13 F14 G15 G16 L19 C120	S13-E118 WeakPolarHBondContact CA-OE1 3.17Å; S13-E118 WeakPolarHBondContact CB-OE2 3.45Å; S13-E118 PolarHBondContact OG-OE2 3.22Å; F14-E118 WeakPolarHBondContact CD2-OE1 3.41Å; F14-E118 VanDerWaalsContact N-CD 3.33Å; F14-E118 PolarHBondContact N-OE1 3.37Å; F14-E118 PolarHBondContact N-OE2 3.14Å; G15-E118 PolarHBondContact N-OE2 3.48Å; G16-E118 PolarHBondContact N-OE2 3.11Å; L19-E118 VanDerWaalsContact CD1-O 3.29Å; L19-E118 WeakPolarHBondContact CD1-O 3.13Å; L19-E118 VanDerWaalsContact CD2-O 3.28Å; L19-E118 WeakPolarHBondContact CD2-O 2.87Å; L19-E118 WeakPolarHBondContact CG-O 3Å; E118-C120 VanDerWaalsContact C-N 3.28Å
119	N	86.9	Confident	88.3	Confident	128 Å²	128	56.7 Å²	56.7	68%	0.684	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	27.8	-174	-40.6	-75.3	0	0	0	113.9	L19 P121	L19-N119 HydrophobicContact CD1-CB 3.94Å; N119-P121 VanDerWaalsContact C-CD 3.5Å; N119-P121 WeakPolarHBondContact O-CD 2.98Å
120	C	87	Confident	88.1	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.02	35%	0.353	C	S	.	.			trans	-107.9	79.7	174.9	-158	0	0	0	0	111.6	L19 L55 F117 E118 V122	L19-C120 HydrophobicContact CD2-CB 3.28Å; L55-C120 HydrophobicContact CD2-CB 4.01Å; F117-C120 HydrophobicContact CB-CB 4.25Å; E118-C120 VanDerWaalsContact C-N 3.28Å; C120-V122 PolarHBondContact O-N 3.41Å
121	P	86.1	Confident	87.6	Confident	64 Å²	64	68.2 Å²	68.2	42%	0.416	37%	0.368	S	S	.	.			trans	-69.3	131.5	176	28.9	-33.8	0	0	0	110.7	N119	N119-P121 VanDerWaalsContact C-CD 3.5Å; N119-P121 WeakPolarHBondContact O-CD 2.98Å
122	V	88.4	Confident	87.2	Confident	22 Å²	22	63.1 Å²	63.1	13%	0.133	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	128.4	163.5	174.6	0	0	0	0	108.6	I31 L55 C120 L125 V136	I31-V122 HydrophobicContact CD1-CG2 4.3Å; L55-V122 HydrophobicContact CD1-CG2 3.47Å; L55-V122 VanDerWaalsContact CD1-CG2 3.47Å; C120-V122 PolarHBondContact O-N 3.41Å; V122-L125 HydrophobicContact CG1-CD2 4.19Å; V122-V136 HydrophobicContact CG1-CB 3.86Å; V122-V136 HydrophobicContact CG1-CG1 4.08Å; V122-V136 HydrophobicContact CG2-CB 4.19Å; V122-V136 HydrophobicContact CG2-CG1 4.46Å; V122-V136 HydrophobicContact CG2-CG2 4.16Å
123	K	87.7	Confident	87	Confident	116 Å²	116	63.2 Å²	63.2	50%	0.504	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-40.2	178.8	-67.1	177.6	176.8	166.6	0	112.7	E137 T138 N139	K123-E137 PolarHBondContact N-O 2.77Å; K123-T138 PolarHBondContact NZ-O 2.88Å; K123-N139 WeakPolarHBondContact CE-OD1 3.28Å; K123-N139 PolarHBondContact NZ-OD1 3.12Å
124	S	86	Confident	87.1	Confident	52 Å²	52	63.1 Å²	63.1	36%	0.364	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	156.5	-175.5	53.1	0	0	0	0	111	E137	S124-E137 PolarHBondContact O-N 2.72Å; S124-E137 WeakPolarHBondContact OG-CB 3.48Å
125	L	89.2	Confident	87.3	Confident	25 Å²	25	62.8 Å²	62.8	13%	0.131	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.6	171.3	-50.3	-175.7	0	0	0	109.4	V122 I127 V136 L148 C160 I165	V122-L125 HydrophobicContact CG1-CD2 4.19Å; L125-I127 HydrophobicContact CB-CG1 4.24Å; L125-V136 HydrophobicContact CD2-CG1 3.61Å; L125-L148 HydrophobicContact CD1-CD2 3.77Å; L125-L148 HydrophobicContact CD2-CD2 3.61Å; L125-L148 HydrophobicContact CG-CD2 4.31Å; L125-C160 HydrophobicContact CD1-CB 4.13Å; L125-C160 WeakPolarHBondContact CD1-SG 3.33Å; L125-I165 HydrophobicContact CD1-CD1 3.83Å
126	K	89.8	Confident	87.3	Confident	87 Å²	87	60.3 Å²	60.3	38%	0.378	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	107.3	169.1	-170.3	177.1	-176	-158	0	108.4	E134 G135 F142	K126-E134 HydrophobicContact CB-CB 4.26Å; K126-E134 HydrophobicContact CD-CB 4.16Å; K126-E134 HydrophobicContact CD-CG 4.35Å; K126-E134 WeakPolarHBondContact CD-OE2 3.29Å; K126-E134 WeakPolarHBondContact CE-OE2 3.4Å; K126-E134 HydrophobicContact CG-CB 4.11Å; K126-E134 IonicContact NZ-OE1 2.79Å; K126-E134 PolarHBondContact NZ-OE1 2.86Å; K126-E134 IonicContact NZ-OE2 2.82Å; K126-E134 PolarHBondContact NZ-OE2 2.69Å; K126-E134 PolarHBondContact O-N 3.05Å; K126-G135 PolarHBondContact N-O 2.96Å; K126-F142 HydrophobicContact CB-CE2 3.55Å; K126-F142 HydrophobicContact CB-CZ 4.03Å; K126-F142 HydrophobicContact CD-CD2 4.43Å; K126-F142 HydrophobicContact CD-CE1 4.4Å; K126-F142 HydrophobicContact CD-CE2 3.63Å; K126-F142 HydrophobicContact CD-CZ 3.6Å; K126-F142 HydrophobicContact CG-CE2 4.24Å; K126-F142 HydrophobicContact CG-CZ 4.43Å
127	I	87.7	Confident	87.4	Confident	78 Å²	78	63.3 Å²	63.3	40%	0.4	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.5	-177.2	-59	174.3	0	0	0	108.1	L125 N129 A162	L125-I127 HydrophobicContact CB-CG1 4.24Å; I127-N129 WeakPolarHBondContact CG2-O 3.29Å; I127-A162 HydrophobicContact CD1-CB 3.76Å
128	V	86.9	Confident	87.4	Confident	90 Å²	90	63.4 Å²	63.4	55%	0.545	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-40.8	179.6	-173.9	0	0	0	0	110.6	N132 E134	V128-N132 HydrophobicContact CB-CB 4.24Å; V128-N132 PolarHBondContact N-O 3.39Å; V128-E134 HydrophobicContact CG2-CB 3.64Å; V128-E134 HydrophobicContact CG2-CG 4.28Å
129	N	84.8	Confident	87.5	Confident	69 Å²	69	66.4 Å²	66.4	37%	0.369	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	-177.8	177.3	63.3	41.2	0	0	0	109.6	I127 H131 N132	I127-N129 WeakPolarHBondContact CG2-O 3.29Å; N129-H131 PolarHBondContact O-N 3.18Å; N129-H131 WeakPolarHBondContact OD1-CA 3.46Å; N129-H131 PolarHBondContact OD1-N 2.61Å; N129-N132 PolarHBondContact N-O 3.34Å; N129-N132 PolarHBondContact ND2-ND2 3.08Å; N129-N132 VanDerWaalsContact ND2-ND2 3.19Å; N129-N132 PolarHBondContact O-N 2.85Å; N129-N132 WeakPolarHBondContact OD1-CB 3.33Å; N129-N132 PolarHBondContact OD1-N 3.29Å
130	D	78.9	Confident	87.7	Confident	142 Å²	142	64.8 Å²	64.8	76%	0.759	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-13.9	-177.2	-66.8	-28.4	0	0	0	115.3
131	H	79.9	Confident	88	Confident	159 Å²	159	66.3 Å²	66.3	74%	0.736	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	-15	-175.9	-57.1	-58.2	0	0	0	114.2	N129	N129-H131 PolarHBondContact O-N 3.18Å; N129-H131 WeakPolarHBondContact OD1-CA 3.46Å; N129-H131 PolarHBondContact OD1-N 2.61Å
132	N	81.8	Confident	88.4	Confident	89 Å²	89	66.1 Å²	66.1	48%	0.476	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.5	-170.6	-66.9	-33.1	0	0	0	112.3	V128 N129	V128-N132 HydrophobicContact CB-CB 4.24Å; V128-N132 PolarHBondContact N-O 3.39Å; N129-N132 PolarHBondContact N-O 3.34Å; N129-N132 PolarHBondContact ND2-ND2 3.08Å; N129-N132 VanDerWaalsContact ND2-ND2 3.19Å; N129-N132 PolarHBondContact O-N 2.85Å; N129-N132 WeakPolarHBondContact OD1-CB 3.33Å; N129-N132 PolarHBondContact OD1-N 3.29Å
133	I	87.4	Confident	88.7	Confident	38 Å²	38	65.1 Å²	65.1	20%	0.195	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.9	169.9	-60.5	171.2	0	0	0	107.6	L148 I165	I133-L148 HydrophobicContact CD1-CB 4.06Å; I133-L148 HydrophobicContact CD1-CD2 3.77Å; I133-L148 HydrophobicContact CG2-CD2 4.42Å; I133-I165 HydrophobicContact CD1-CD1 3.63Å; I133-I165 HydrophobicContact CD1-CG1 4.3Å
134	E	91.9	Very high	89.1	Confident	59 Å²	59	63.7 Å²	63.7	28%	0.276	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-34.2	174	-162.8	-179.1	152	0	0	111.8	K126 V128 F142 K144 C145	K126-E134 HydrophobicContact CB-CB 4.26Å; K126-E134 HydrophobicContact CD-CB 4.16Å; K126-E134 HydrophobicContact CD-CG 4.35Å; K126-E134 WeakPolarHBondContact CD-OE2 3.29Å; K126-E134 WeakPolarHBondContact CE-OE2 3.4Å; K126-E134 HydrophobicContact CG-CB 4.11Å; K126-E134 IonicContact NZ-OE1 2.79Å; K126-E134 PolarHBondContact NZ-OE1 2.86Å; K126-E134 IonicContact NZ-OE2 2.82Å; K126-E134 PolarHBondContact NZ-OE2 2.69Å; K126-E134 PolarHBondContact O-N 3.05Å; V128-E134 HydrophobicContact CG2-CB 3.64Å; V128-E134 HydrophobicContact CG2-CG 4.28Å; E134-F142 HydrophobicContact CB-CZ 4.31Å; E134-F142 HydrophobicContact CG-CZ 4.17Å; E134-K144 HydrophobicContact CG-CG 4.37Å; E134-K144 CarbonylContact O-C 3.57Å; E134-K144 VanDerWaalsContact O-CA 3.31Å; E134-K144 WeakPolarHBondContact O-CA 3.49Å; E134-K144 WeakPolarHBondContact O-CG 3.18Å; E134-C145 PolarHBondContact O-N 3.07Å
135	G	93	Very high	89.4	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.5	-165.1	-173.7	0	0	0	0	0	113.9	K126 V143	K126-G135 PolarHBondContact N-O 2.96Å; G135-V143 CarbonylContact C-O 3.48Å; G135-V143 WeakPolarHBondContact CA-O 3.45Å
136	V	92.7	Very high	89.3	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.9	-178.2	-59.4	0	0	0	0	112.2	L29 V122 L125 T138 F142 V143 L148	L29-V136 HydrophobicContact CD2-CB 4.06Å; L29-V136 HydrophobicContact CD2-CG1 3.45Å; L29-V136 VanDerWaalsContact CD2-CG1 3.45Å; L29-V136 HydrophobicContact CD2-CG2 3.38Å; V122-V136 HydrophobicContact CG1-CB 3.86Å; V122-V136 HydrophobicContact CG1-CG1 4.08Å; V122-V136 HydrophobicContact CG2-CB 4.19Å; V122-V136 HydrophobicContact CG2-CG1 4.46Å; V122-V136 HydrophobicContact CG2-CG2 4.16Å; L125-V136 HydrophobicContact CD2-CG1 3.61Å; V136-T138 HydrophobicContact CG2-CG2 4.25Å; V136-F142 WeakPolarHBondContact O-CA 3.42Å; V136-F142 WeakPolarHBondContact O-CD2 3.32Å; V136-V143 HydrophobicContact CG2-CB 3.93Å; V136-V143 PolarHBondContact N-O 2.8Å; V136-V143 PolarHBondContact O-N 2.87Å; V136-L148 HydrophobicContact CG1-CD1 3.9Å
137	E	92.3	Very high	89.2	Confident	71 Å²	71	64.4 Å²	64.4	33%	0.332	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.8	170.9	-71	-68.7	171	0	0	110.3	K123 S124 F142	K123-E137 PolarHBondContact N-O 2.77Å; S124-E137 PolarHBondContact O-N 2.72Å; S124-E137 WeakPolarHBondContact OG-CB 3.48Å; E137-F142 HydrophobicContact CG-CD2 4.12Å; E137-F142 WeakPolarHBondContact OE1-CD2 3.43Å
138	T	90.2	Very high	89.3	Confident	6 Å²	6	62.3 Å²	62.3	4%	0.037	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	-177.2	178.5	77	0	0	0	0	111.5	L22 K123 V136 F140 G141	L22-T138 HydrophobicContact CD2-CG2 4.16Å; K123-T138 PolarHBondContact NZ-O 2.88Å; V136-T138 HydrophobicContact CG2-CG2 4.25Å; T138-F140 PolarHBondContact O-N 3.33Å; T138-F140 PolarHBondContact OG1-N 2.82Å; T138-G141 PolarHBondContact N-O 3.44Å; T138-G141 PolarHBondContact OG1-N 2.98Å; T138-G141 PolarHBondContact OG1-O 3.15Å
139	N	88.3	Confident	89.3	Confident	96 Å²	96	60 Å²	60	51%	0.513	31%	0.309	S	S	.	.	S	Bend	trans	-70.4	-13.9	167.1	-81.7	-37.1	0	0	0	113.6	K123	K123-N139 WeakPolarHBondContact CE-OD1 3.28Å; K123-N139 PolarHBondContact NZ-OD1 3.12Å
140	F	92.1	Very high	89.3	Confident	95 Å²	95	59.1 Å²	59.1	42%	0.417	30%	0.304	S	S	.	.	S	Bend	trans	-112.5	1.9	-171.2	-57.4	-79.2	0	0	0	113	L19 L22 T138	L19-F140 HydrophobicContact CB-CD1 3.79Å; L19-F140 HydrophobicContact CB-CD2 3.95Å; L19-F140 HydrophobicContact CB-CE1 3.65Å; L19-F140 HydrophobicContact CB-CE2 3.83Å; L19-F140 HydrophobicContact CB-CG 3.94Å; L19-F140 HydrophobicContact CB-CZ 3.68Å; L19-F140 HydrophobicContact CD1-CD2 4.39Å; L19-F140 HydrophobicContact CD1-CE1 4.02Å; L19-F140 HydrophobicContact CD1-CE2 3.48Å; L19-F140 VanDerWaalsContact CD1-CE2 3.48Å; L19-F140 HydrophobicContact CD1-CZ 3.26Å; L19-F140 HydrophobicContact CD2-CD2 3.93Å; L19-F140 HydrophobicContact CD2-CE2 3.73Å; L19-F140 HydrophobicContact CD2-CZ 4.3Å; L19-F140 HydrophobicContact CG-CD2 4.31Å; L19-F140 HydrophobicContact CG-CE1 4.39Å; L19-F140 HydrophobicContact CG-CE2 3.87Å; L19-F140 HydrophobicContact CG-CZ 3.91Å; L22-F140 HydrophobicContact CD2-CB 4.31Å; T138-F140 PolarHBondContact O-N 3.33Å; T138-F140 PolarHBondContact OG1-N 2.82Å
141	G	93.1	Very high	89.7	Confident	35 Å²	35	53.7 Å²	53.7	36%	0.361	28%	0.279	S	S	.	.			trans	128.4	-178.6	-179.3	0	0	0	0	0	112.4	T138	T138-G141 PolarHBondContact N-O 3.44Å; T138-G141 PolarHBondContact OG1-N 2.98Å; T138-G141 PolarHBondContact OG1-O 3.15Å
142	F	94.9	Very high	89.8	Confident	60 Å²	60	46.5 Å²	46.5	26%	0.263	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	135.8	175.1	179.1	-106.6	0	0	0	110.4	K126 E134 V136 E137 K144	K126-F142 HydrophobicContact CB-CE2 3.55Å; K126-F142 HydrophobicContact CB-CZ 4.03Å; K126-F142 HydrophobicContact CD-CD2 4.43Å; K126-F142 HydrophobicContact CD-CE1 4.4Å; K126-F142 HydrophobicContact CD-CE2 3.63Å; K126-F142 HydrophobicContact CD-CZ 3.6Å; K126-F142 HydrophobicContact CG-CE2 4.24Å; K126-F142 HydrophobicContact CG-CZ 4.43Å; E134-F142 HydrophobicContact CB-CZ 4.31Å; E134-F142 HydrophobicContact CG-CZ 4.17Å; V136-F142 WeakPolarHBondContact O-CA 3.42Å; V136-F142 WeakPolarHBondContact O-CD2 3.32Å; E137-F142 HydrophobicContact CG-CD2 4.12Å; E137-F142 WeakPolarHBondContact OE1-CD2 3.43Å; F142-K144 HydrophobicContact CE1-CB 3.93Å; F142-K144 HydrophobicContact CE1-CG 4.39Å
143	V	95.1	Very high	89.6	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114	173.5	-179.6	0	0	0	0	108.6	L22 P23 V26 L53 G135 V136	L22-V143 HydrophobicContact CD1-CG2 4.27Å; L22-V143 HydrophobicContact CD2-CG2 3.29Å; L22-V143 HydrophobicContact CG-CG2 3.56Å; P23-V143 WeakPolarHBondContact O-CG1 3.47Å; P23-V143 WeakPolarHBondContact O-CG2 3.49Å; V26-V143 HydrophobicContact CG2-CG1 4.21Å; L53-V143 HydrophobicContact CD2-CG1 3.97Å; G135-V143 CarbonylContact C-O 3.48Å; G135-V143 WeakPolarHBondContact CA-O 3.45Å; V136-V143 HydrophobicContact CG2-CB 3.93Å; V136-V143 PolarHBondContact N-O 2.8Å; V136-V143 PolarHBondContact O-N 2.87Å
144	K	96	Very high	89.1	Confident	85 Å²	85	47.7 Å²	47.7	37%	0.37	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	139.4	173.7	-164.4	-178.1	168.8	-170.2	0	110.3	D24 H25 V26 E134 F142	D24-K144 VanDerWaalsContact O-CB 3.29Å; D24-K144 WeakPolarHBondContact O-CB 3.23Å; D24-K144 PolarHBondContact O-N 2.99Å; H25-K144 WeakPolarHBondContact CA-O 3.14Å; H25-K144 HydrophobicContact CB-CB 4.45Å; V26-K144 PolarHBondContact N-O 3.06Å; E134-K144 HydrophobicContact CG-CG 4.37Å; E134-K144 CarbonylContact O-C 3.57Å; E134-K144 VanDerWaalsContact O-CA 3.31Å; E134-K144 WeakPolarHBondContact O-CA 3.49Å; E134-K144 WeakPolarHBondContact O-CG 3.18Å; F142-K144 HydrophobicContact CE1-CB 3.93Å; F142-K144 HydrophobicContact CE1-CG 4.39Å
145	C	90.5	Very high	88	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.007	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.2	172.2	65.1	0	0	0	0	111.9	V26 L29 E134	V26-C145 HydrophobicContact CG2-CB 3.89Å; V26-C145 WeakPolarHBondContact O-CA 3.38Å; L29-C145 HydrophobicContact CB-CB 4.03Å; E134-C145 PolarHBondContact O-N 3.07Å
146	D	88.4	Confident	86.6	Confident	100 Å²	100	50.4 Å²	50.4	54%	0.535	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-36.4	173.9	-59.3	-44.2	0	0	0	111.4	H25	H25-D146 IonicContact CE1-OD2 3.44Å; H25-D146 PolarHBondContact CE1-OD2 2.79Å
147	I	87.6	Confident	85.1	Confident	78 Å²	78	53 Å²	53	40%	0.4	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.7	176.3	-58.6	175.9	0	0	0	109.9	D27 V28 L29 V149	D27-I147 PolarHBondContact O-N 3.35Å; V28-I147 WeakPolarHBondContact CA-O 3.45Å; V28-I147 HydrophobicContact CG1-CG2 4.34Å; V28-I147 HydrophobicContact CG2-CB 4.33Å; L29-I147 PolarHBondContact N-O 2.78Å; I147-V149 HydrophobicContact CG2-CG2 4.36Å
148	L	88.8	Confident	83.5	Confident	34 Å²	34	58.5 Å²	58.5	18%	0.178	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	126.4	172.2	-174.2	74.1	0	0	0	110.2	L29 I31 L125 I133 V136	L29-L148 HydrophobicContact CB-CD1 3.85Å; L29-L148 HydrophobicContact CD2-CD1 3.42Å; L29-L148 VanDerWaalsContact CD2-CD1 3.42Å; L29-L148 HydrophobicContact CG-CD1 3.59Å; I31-L148 HydrophobicContact CD1-CD1 4.07Å; I31-L148 HydrophobicContact CD1-CD2 4.49Å; I31-L148 HydrophobicContact CG1-CD1 4.2Å; L125-L148 HydrophobicContact CD1-CD2 3.77Å; L125-L148 HydrophobicContact CD2-CD2 3.61Å; L125-L148 HydrophobicContact CG-CD2 4.31Å; I133-L148 HydrophobicContact CD1-CB 4.06Å; I133-L148 HydrophobicContact CD1-CD2 3.77Å; I133-L148 HydrophobicContact CG2-CD2 4.42Å; V136-L148 HydrophobicContact CG1-CD1 3.9Å
149	V	87.7	Confident	81.8	Confident	43 Å²	43	58.7 Å²	58.7	26%	0.261	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.1	172.5	179.7	0	0	0	0	107.8	V28 L29 I30 I31 I147	V28-V149 HydrophobicContact CG1-CG2 3.9Å; L29-V149 WeakPolarHBondContact O-CA 3.45Å; L29-V149 PolarHBondContact O-N 3.2Å; I30-V149 CarbonylContact C-O 3.51Å; I30-V149 VanDerWaalsContact CA-O 3.28Å; I30-V149 WeakPolarHBondContact CA-O 3.32Å; I30-V149 HydrophobicContact CG1-CB 4.09Å; I30-V149 HydrophobicContact CG1-CG1 4.45Å; I30-V149 HydrophobicContact CG1-CG2 4.48Å; I30-V149 HydrophobicContact CG2-CG1 4.41Å; I31-V149 PolarHBondContact N-O 2.77Å; I147-V149 HydrophobicContact CG2-CG2 4.36Å
150	D	85	Confident	80.2	Confident	50 Å²	50	54.7 Å²	54.7	27%	0.267	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	112.9	172	-163.6	-25.7	0	0	0	110.4	A152 I156 S159	D150-A152 WeakPolarHBondContact OD1-CB 3.48Å; D150-A152 PolarHBondContact OD1-N 3.44Å; D150-I156 HydrophobicContact CB-CD1 4.32Å; D150-S159 PolarHBondContact OD2-OG 2.88Å
151	A	86.8	Confident	78.3	Confident	28 Å²	28	54.7 Å²	54.7	23%	0.231	33%	0.326	C	S	.	.			trans	-120.5	22.9	175.9	0	0	0	0	0	111.9	I30 I31 G32 G153	I30-A151 HydrophobicContact CG2-CB 4.06Å; I31-A151 CarbonylContact O-C 3.34Å; I31-A151 WeakPolarHBondContact O-CA 3.42Å; I31-A151 WeakPolarHBondContact O-CB 3.45Å; I31-A151 PolarHBondContact O-N 3.35Å; G32-A151 WeakPolarHBondContact CA-O 3.32Å; A151-G153 PolarHBondContact O-N 2.98Å
152	A	82.4	Confident	76.3	Confident	7 Å²	7	54.9 Å²	54.9	6%	0.058	32%	0.324	C	S	.	.			trans	-71.5	2.7	-165.4	0	0	0	0	0	113.3	I31 D150 V155	I31-A152 HydrophobicContact CB-CB 4.5Å; I31-A152 HydrophobicContact CG2-CB 3.7Å; I31-A152 WeakPolarHBondContact O-CA 3.33Å; I31-A152 PolarHBondContact O-N 2.65Å; D150-A152 WeakPolarHBondContact OD1-CB 3.48Å; D150-A152 PolarHBondContact OD1-N 3.44Å; A152-V155 HydrophobicContact CB-CG2 3.87Å; A152-V155 WeakPolarHBondContact O-CG2 3.46Å
153	G	78.1	Confident	74.2	Confident	43 Å²	43	58.9 Å²	58.9	44%	0.443	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	64.6	-143.2	-177.5	0	0	0	0	0	111.9	A151 V155 I156	A151-G153 PolarHBondContact O-N 2.98Å; G153-V155 PolarHBondContact O-N 3.34Å; G153-I156 PolarHBondContact O-N 3.29Å; G153-I156 VanDerWaalsContact O-N 3.13Å
154	A	76	Confident	71.8	Confident	109 Å²	109	69.4 Å²	69.4	90%	0.901	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-61	-12.3	-173.6	0	0	0	0	0	114.7
155	V	69.6	Low	69.6	Low	39 Å²	39	69.3 Å²	69.3	24%	0.236	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-93.7	11	179.7	-60.1	0	0	0	0	114	R57 A152 G153 A157 W158 S159	R57-V155 HydrophobicContact CB-CG2 4.46Å; A152-V155 HydrophobicContact CB-CG2 3.87Å; A152-V155 WeakPolarHBondContact O-CG2 3.46Å; G153-V155 PolarHBondContact O-N 3.34Å; V155-A157 PolarHBondContact O-N 3.24Å; V155-A157 VanDerWaalsContact O-N 3.09Å; V155-W158 WeakPolarHBondContact O-CB 3.26Å; V155-W158 PolarHBondContact O-N 3.2Å; V155-S159 PolarHBondContact O-N 3.19Å
156	I	63.8	Low	67.1	Low	78 Å²	78	74.6 Å²	74.6	40%	0.4	42%	0.418	S	S	.	.	H	α-helix	trans	-53.3	-32.9	-177.1	-165.5	157.4	0	0	0	113.7	D150 G153 W158 S159 C160	D150-I156 HydrophobicContact CB-CD1 4.32Å; G153-I156 PolarHBondContact O-N 3.29Å; G153-I156 VanDerWaalsContact O-N 3.13Å; I156-W158 PolarHBondContact O-N 3.35Å; I156-S159 WeakPolarHBondContact CA-OG 3.41Å; I156-S159 PolarHBondContact O-N 2.97Å; I156-S159 PolarHBondContact O-OG 3.34Å; I156-S159 VanDerWaalsContact O-OG 3.12Å; I156-C160 PolarHBondContact O-N 3.15Å; I156-C160 VanDerWaalsContact O-N 3.1Å
157	A	60.8	Low	64.7	Low	54 Å²	54	77.7 Å²	77.7	45%	0.446	43%	0.433	S	S	.	.	H	α-helix	trans	-62.3	-23.1	175.7	0	0	0	0	0	113.5	V155	V155-A157 PolarHBondContact O-N 3.24Å; V155-A157 VanDerWaalsContact O-N 3.09Å
158	W	57.8	Low	62	Low	187 Å²	187	77.3 Å²	77.3	71%	0.708	44%	0.438	S	S	*	.	H	α-helix	trans	-89.7	-36.3	178.5	-69.3	67.1	0	0	0	112.6	V155 I156	V155-W158 WeakPolarHBondContact O-CB 3.26Å; V155-W158 PolarHBondContact O-N 3.2Å; I156-W158 PolarHBondContact O-N 3.35Å
159	S	55.1	Low	59.3	Low	9 Å²	9	80.6 Å²	80.6	6%	0.063	46%	0.463	C	S	.	.	H	α-helix	trans	-74	-31.4	179.3	47.1	0	0	0	0	112	D150 V155 I156	D150-S159 PolarHBondContact OD2-OG 2.88Å; V155-S159 PolarHBondContact O-N 3.19Å; I156-S159 WeakPolarHBondContact CA-OG 3.41Å; I156-S159 PolarHBondContact O-N 2.97Å; I156-S159 PolarHBondContact O-OG 3.34Å; I156-S159 VanDerWaalsContact O-OG 3.12Å
160	C	55.3	Low	56.9	Low	12 Å²	12	84.9 Å²	84.9	8%	0.081	49%	0.485	C	S	.	.			trans	-133.3	85.2	-177.4	-167.8	0	0	0	0	111.4	L125 I156 A162	L125-C160 HydrophobicContact CD1-CB 4.13Å; L125-C160 WeakPolarHBondContact CD1-SG 3.33Å; I156-C160 PolarHBondContact O-N 3.15Å; I156-C160 VanDerWaalsContact O-N 3.1Å; C160-A162 PolarHBondContact O-N 3.32Å; C160-A162 VanDerWaalsContact O-N 3.15Å; C160-A162 PolarHBondContact SG-O 3.02Å
161	P	51.8	Low	54.3	Low	96 Å²	96	88.8 Å²	88.8	62%	0.623	51%	0.505	S	S	*	.	S	Bend	trans	-60.9	-20.8	172	-20.3	31.4	0	0	0	112.8	H163	P161-H163 PolarHBondContact O-N 3.38Å
162	A	51.2	Low	51.8	Low	39 Å²	39	100.5 Å²	100.5	32%	0.322	55%	0.551	S	S	.	*			trans	-84.1	81.8	176.1	0	0	0	0	0	110.7	I127 C160 R164	I127-A162 HydrophobicContact CD1-CB 3.76Å; C160-A162 PolarHBondContact O-N 3.32Å; C160-A162 VanDerWaalsContact O-N 3.15Å; C160-A162 PolarHBondContact SG-O 3.02Å; A162-R164 PolarHBondContact O-N 2.98Å
163	H	51.5	Low	50.3	Low	144 Å²	144	105.2 Å²	105.2	67%	0.667	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	44.8	171.4	-75.8	-64.4	0	0	0	113.8	P161	P161-H163 PolarHBondContact O-N 3.38Å
164	R	43.7	Very low	48.8	Very low	222 Å²	222	108.5 Å²	108.5	84%	0.838	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.2	17.3	177.5	-82.4	-165.5	-170.1	-153.2	3	115.3	A162 T166	A162-R164 PolarHBondContact O-N 2.98Å; R164-T166 PolarHBondContact O-N 2.97Å
165	I	50.2	Low	47.3	Very low	83 Å²	83	108.4 Å²	108.4	43%	0.426	57%	0.565	S	S	.	*			trans	-77.3	109.2	170.8	-59.4	163	0	0	0	108.1	L125 I133	L125-I165 HydrophobicContact CD1-CD1 3.83Å; I133-I165 HydrophobicContact CD1-CD1 3.63Å; I133-I165 HydrophobicContact CD1-CG1 4.3Å
166	T	38.6	Very low	46	Very low	112 Å²	112	112.5 Å²	112.5	69%	0.687	59%	0.585	S	S	*	*			trans	-78.9	115.9	172.8	-56.1	0	0	0	0	107.4	R164 S168	R164-T166 PolarHBondContact O-N 2.97Å; T166-S168 PolarHBondContact O-N 3.42Å
167	L	36.4	Very low	44.9	Very low	164 Å²	164	114.7 Å²	114.7	86%	0.859	60%	0.596	S	S	*	*			trans	-61	116.8	169.6	-68.6	168	0	0	0	107.9	S169	L167-S169 PolarHBondContact O-N 2.79Å
168	S	31.9	Very low	43.8	Very low	71 Å²	71	118.7 Å²	118.7	50%	0.497	61%	0.606	S	S	.	*			trans	-63.1	132.7	170	170.7	0	0	0	0	109	T166 D170	T166-S168 PolarHBondContact O-N 3.42Å; S168-D170 PolarHBondContact O-N 3Å; S168-D170 PolarHBondContact OG-N 3.34Å; S168-D170 PolarHBondContact OG-OD2 3.47Å
169	S	32.7	Very low	42.8	Very low	102 Å²	102	113.9 Å²	113.9	71%	0.713	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-3.7	175.2	46.6	0	0	0	0	114.1	L167 L171	L167-S169 PolarHBondContact O-N 2.79Å; S169-L171 VanDerWaalsContact C-N 3.26Å; S169-L171 PolarHBondContact O-N 2.91Å
170	D	36.4	Very low	41.9	Very low	134 Å²	134	121.9 Å²	121.9	72%	0.717	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	12.7	-170.4	-54.9	-26.6	0	0	0	113.6	S168	S168-D170 PolarHBondContact O-N 3Å; S168-D170 PolarHBondContact OG-N 3.34Å; S168-D170 PolarHBondContact OG-OD2 3.47Å
171	L	31.4	Very low	40.8	Very low	132 Å²	132	131.1 Å²	131.1	69%	0.691	69%	0.687	S	S	*	*			trans	-117	58.7	177.2	-76.3	161.9	0	0	0	110.8	S169	S169-L171 VanDerWaalsContact C-N 3.26Å; S169-L171 PolarHBondContact O-N 2.91Å
172	F	33.4	Very low	39.8	Very low	274 Å²	274	134.3 Å²	134.3	100%	1.202	69%	0.692	S	S	*	*			trans	-141.5	0	154.7	-74.2	-71.6	0	0	0	109.5

Retrieved 172 of 172 residues in 578.1 ms (Link to these results)

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