A0A077Z5E9_TRITR Loading...

SURF1-like protein

Probably involved in the biogenesis of the COX complex.

AlphaFold DB , UniProt , Accession A0A077Z5E9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 228 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	56.5	Low	57.3	Low	221 Å²	221	131 Å²	131	100%	1.089	67%	0.672	S	S	*	*				0	-15.9	0	-89	155.9	79.7	0	0	115.4
2	N	58.1	Low	57.3	Low	146 Å²	146	126 Å²	126	78%	0.781	66%	0.656	S	S	*	*	H	α-helix	trans	-81.6	-24.8	-177.1	-67.7	-18.7	0	0	0	115.4	C5	N2-C5 PolarHBondContact O-N 3.24Å
3	F	54.8	Low	57	Low	183 Å²	183	122.6 Å²	122.6	80%	0.803	65%	0.648	S	S	*	*	H	α-helix	trans	-70.7	-37.1	-178.7	-118.4	-95	0	0	0	113.5	C5 S6 L7	F3-C5 VanDerWaalsContact C-N 3.31Å; F3-C5 PolarHBondContact O-N 2.86Å; F3-S6 PolarHBondContact O-N 3.46Å; F3-L7 PolarHBondContact O-N 2.61Å
4	F	54.7	Low	56.8	Low	186 Å²	186	124.9 Å²	124.9	82%	0.816	65%	0.65	S	S	*	*	H	α-helix	trans	-67	-30.9	178.1	-114	-95.4	0	0	0	112.7	C8	F4-C8 WeakPolarHBondContact O-CB 3.37Å; F4-C8 PolarHBondContact O-N 2.82Å
5	C	58.9	Low	57	Low	68 Å²	68	125.3 Å²	125.3	46%	0.459	65%	0.652	S	S	.	*	H	α-helix	trans	-72.9	-35.5	179.4	-164.9	0	0	0	0	112.3	N2 F3 R9	N2-C5 PolarHBondContact O-N 3.24Å; F3-C5 VanDerWaalsContact C-N 3.31Å; F3-C5 PolarHBondContact O-N 2.86Å; C5-R9 WeakPolarHBondContact O-CB 3.32Å; C5-R9 PolarHBondContact O-N 3.03Å; C5-R9 VanDerWaalsContact O-N 3.15Å
6	S	59.6	Low	57.1	Low	83 Å²	83	126.6 Å²	126.6	58%	0.58	65%	0.651	S	S	*	*	H	α-helix	trans	-69.3	-43.3	176.8	-177.6	0	0	0	0	112.2	F3 C8 R9 S10	F3-S6 PolarHBondContact O-N 3.46Å; S6-C8 PolarHBondContact O-N 3.24Å; S6-R9 PolarHBondContact O-N 3.23Å; S6-S10 PolarHBondContact O-N 3.07Å
7	L	57	Low	57.7	Low	110 Å²	110	125.2 Å²	125.2	58%	0.576	65%	0.649	S	S	*	*	H	α-helix	trans	-64.7	-40.8	177.7	-124.8	88.5	0	0	0	112.1	F3 S10 L11	F3-L7 PolarHBondContact O-N 2.61Å; L7-S10 PolarHBondContact O-N 3.2Å; L7-L11 WeakPolarHBondContact O-CD1 3.39Å; L7-L11 PolarHBondContact O-N 2.98Å
8	C	58.5	Low	58.5	Low	85 Å²	85	125.8 Å²	125.8	57%	0.574	65%	0.646	S	S	*	*	H	α-helix	trans	-67.6	-36.1	179.1	-148.4	0	0	0	0	112	F4 S6 C12	F4-C8 WeakPolarHBondContact O-CB 3.37Å; F4-C8 PolarHBondContact O-N 2.82Å; S6-C8 PolarHBondContact O-N 3.24Å; C8-C12 WeakPolarHBondContact O-CB 3.25Å; C8-C12 PolarHBondContact O-N 3.21Å
9	R	58.8	Low	59.6	Low	185 Å²	185	123.1 Å²	123.1	70%	0.698	64%	0.638	S	S	*	*	H	α-helix	trans	-68.1	-38.5	174.5	-132.5	173.6	-96.2	-127.1	-2.2	112.2	C5 S6 C13	C5-R9 WeakPolarHBondContact O-CB 3.32Å; C5-R9 PolarHBondContact O-N 3.03Å; C5-R9 VanDerWaalsContact O-N 3.15Å; S6-R9 PolarHBondContact O-N 3.23Å; R9-C13 PolarHBondContact O-N 3.31Å; R9-C13 VanDerWaalsContact O-N 3.15Å; R9-C13 PolarHBondContact O-SG 2.98Å
10	S	57.3	Low	60.6	Low	59 Å²	59	121.8 Å²	121.8	41%	0.413	63%	0.631	S	S	.	*	H	α-helix	trans	-68.2	-41.2	176	-165.8	0	0	0	0	112.4	S6 L7 K14	S6-S10 PolarHBondContact O-N 3.07Å; L7-S10 PolarHBondContact O-N 3.2Å; S10-K14 WeakPolarHBondContact O-CG 3.47Å; S10-K14 PolarHBondContact O-N 3.05Å; S10-K14 VanDerWaalsContact O-N 3.12Å
11	L	56.4	Low	61.6	Low	115 Å²	115	117.3 Å²	117.3	60%	0.602	62%	0.615	S	S	*	*	H	α-helix	trans	-67.8	-41	174.9	-96.4	93.7	0	0	0	112.7	L7 C13 K14 L15	L7-L11 WeakPolarHBondContact O-CD1 3.39Å; L7-L11 PolarHBondContact O-N 2.98Å; L11-C13 VanDerWaalsContact C-N 3.34Å; L11-C13 PolarHBondContact O-N 3.35Å; L11-K14 PolarHBondContact O-N 3.02Å; L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 PolarHBondContact O-N 3.14Å
12	C	56.6	Low	62.9	Low	71 Å²	71	112.4 Å²	112.4	48%	0.48	59%	0.587	S	S	.	*	H	α-helix	trans	-64.9	-36.6	177.4	-106.8	0	0	0	0	112.8	C8 K16	C8-C12 WeakPolarHBondContact O-CB 3.25Å; C8-C12 PolarHBondContact O-N 3.21Å; C12-K16 WeakPolarHBondContact O-CG 3.24Å; C12-K16 PolarHBondContact O-N 3.43Å
13	C	53.7	Low	64.3	Low	82 Å²	82	112.3 Å²	112.3	55%	0.554	58%	0.58	S	S	*	*	H	α-helix	trans	-68.1	-41.6	174.6	-74.3	0	0	0	0	111.6	R9 L11 L15 K16 V17	R9-C13 PolarHBondContact O-N 3.31Å; R9-C13 VanDerWaalsContact O-N 3.15Å; R9-C13 PolarHBondContact O-SG 2.98Å; L11-C13 VanDerWaalsContact C-N 3.34Å; L11-C13 PolarHBondContact O-N 3.35Å; C13-L15 VanDerWaalsContact C-N 3.34Å; C13-L15 PolarHBondContact O-N 3.17Å; C13-K16 PolarHBondContact O-N 3.39Å; C13-V17 WeakPolarHBondContact O-CG2 3.47Å; C13-V17 PolarHBondContact O-N 3.25Å
14	K	54.7	Low	65.9	Low	155 Å²	155	110.2 Å²	110.2	67%	0.674	57%	0.571	S	S	*	*	H	α-helix	trans	-66.6	-34.4	176	-70.4	-179.1	-175.8	-176.1	0	112.7	S10 L11 K16	S10-K14 WeakPolarHBondContact O-CG 3.47Å; S10-K14 PolarHBondContact O-N 3.05Å; S10-K14 VanDerWaalsContact O-N 3.12Å; L11-K14 PolarHBondContact O-N 3.02Å; K14-K16 PolarHBondContact O-N 3.08Å
15	L	58.9	Low	67.6	Low	130 Å²	130	103.5 Å²	103.5	68%	0.681	54%	0.543	S	S	*	.	H	α-helix	trans	-71.1	-27.1	177.9	-165.1	66.3	0	0	0	113.1	L11 C13 P19	L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 PolarHBondContact O-N 3.14Å; C13-L15 VanDerWaalsContact C-N 3.34Å; C13-L15 PolarHBondContact O-N 3.17Å; L15-P19 WeakPolarHBondContact O-CD 3.45Å
16	K	59.9	Low	69	Low	146 Å²	146	101.9 Å²	101.9	64%	0.635	54%	0.538	S	S	*	.	H	α-helix	trans	-81.6	-24.1	176.9	-73.3	-177.3	-179.2	-175.4	0	114.2	C12 C13 K14 P19 I20	C12-K16 WeakPolarHBondContact O-CG 3.24Å; C12-K16 PolarHBondContact O-N 3.43Å; C13-K16 PolarHBondContact O-N 3.39Å; K14-K16 PolarHBondContact O-N 3.08Å; K16-P19 WeakPolarHBondContact O-CD 3.26Å; K16-P19 WeakPolarHBondContact O-CG 3.48Å; K16-I20 WeakPolarHBondContact O-CD1 3.2Å; K16-I20 WeakPolarHBondContact O-CG1 3.31Å
17	V	66.8	Low	70.5	Confident	103 Å²	103	100.3 Å²	100.3	62%	0.624	53%	0.527	S	S	*	.	H	α-helix	trans	-70.2	-35.3	178.3	174	0	0	0	0	111.3	C13 I20 G21	C13-V17 WeakPolarHBondContact O-CG2 3.47Å; C13-V17 PolarHBondContact O-N 3.25Å; V17-I20 PolarHBondContact O-N 2.93Å; V17-G21 PolarHBondContact O-N 3.08Å; V17-G21 VanDerWaalsContact O-N 3.09Å
18	F	71.6	Confident	71.9	Confident	136 Å²	136	99.7 Å²	99.7	60%	0.596	52%	0.517	S	S	*	.	H	α-helix	trans	-58.9	-57.1	-180	-160.5	-96.5	0	0	0	113.2	I20 G21 F22	F18-I20 VanDerWaalsContact C-N 3.28Å; F18-I20 PolarHBondContact O-N 3.22Å; F18-G21 PolarHBondContact O-N 3.37Å; F18-F22 AromaticContact CD1-CD2 3.7Å; F18-F22 HydrophobicContact CD1-CD2 3.7Å; F18-F22 AromaticContact CD1-CE2 3.59Å; F18-F22 HydrophobicContact CD1-CE2 3.59Å; F18-F22 HydrophobicContact CD1-CZ 4.46Å; F18-F22 HydrophobicContact CD2-CD2 4.42Å; F18-F22 AromaticContact CD2-CE2 3.84Å; F18-F22 HydrophobicContact CD2-CE2 3.84Å; F18-F22 AromaticContact CE1-CD2 3.64Å; F18-F22 HydrophobicContact CE1-CD2 3.64Å; F18-F22 HydrophobicContact CE1-CE1 4.47Å; F18-F22 AromaticContact CE1-CE2 3.12Å; F18-F22 HydrophobicContact CE1-CE2 3.12Å; F18-F22 AromaticContact CE1-CZ 3.59Å; F18-F22 HydrophobicContact CE1-CZ 3.59Å; F18-F22 HydrophobicContact CE2-CD2 4.37Å; F18-F22 AromaticContact CE2-CE2 3.42Å; F18-F22 HydrophobicContact CE2-CE2 3.42Å; F18-F22 VanDerWaalsContact CE2-CE2 3.42Å; F18-F22 HydrophobicContact CE2-CZ 4.05Å; F18-F22 HydrophobicContact CG-CD2 4.12Å; F18-F22 AromaticContact CG-CE2 3.94Å; F18-F22 HydrophobicContact CG-CE2 3.94Å; F18-F22 HydrophobicContact CZ-CD2 4.01Å; F18-F22 AromaticContact CZ-CE2 3.05Å; F18-F22 HydrophobicContact CZ-CE2 3.05Å; F18-F22 AromaticContact CZ-CZ 3.36Å; F18-F22 HydrophobicContact CZ-CZ 3.36Å; F18-F22 VanDerWaalsContact O-CD2 3.27Å; F18-F22 WeakPolarHBondContact O-CD2 3.41Å; F18-F22 PolarHBondContact O-N 3.28Å; F18-F22 VanDerWaalsContact O-N 3.07Å
19	P	79	Confident	73.4	Confident	74 Å²	74	99.7 Å²	99.7	48%	0.481	51%	0.508	S	S	.	.	H	α-helix	trans	-62.1	-33.2	-178.2	24.4	-34.9	0	0	0	113.5	L15 K16 F22 F23	L15-P19 WeakPolarHBondContact O-CD 3.45Å; K16-P19 WeakPolarHBondContact O-CD 3.26Å; K16-P19 WeakPolarHBondContact O-CG 3.48Å; P19-F22 PolarHBondContact O-N 3.21Å; P19-F23 WeakPolarHBondContact O-CB 3.18Å; P19-F23 PolarHBondContact O-N 3.2Å
20	I	80.5	Confident	74.8	Confident	98 Å²	98	95.1 Å²	95.1	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-65.6	-46.8	177.1	-64.6	171.4	0	0	0	110.3	K16 V17 F18 F22 F23 F24	K16-I20 WeakPolarHBondContact O-CD1 3.2Å; K16-I20 WeakPolarHBondContact O-CG1 3.31Å; V17-I20 PolarHBondContact O-N 2.93Å; F18-I20 VanDerWaalsContact C-N 3.28Å; F18-I20 PolarHBondContact O-N 3.22Å; I20-F22 PolarHBondContact O-N 3.37Å; I20-F23 PolarHBondContact O-N 2.69Å; I20-F24 HydrophobicContact CG2-CD2 3.72Å; I20-F24 HydrophobicContact CG2-CE2 3.47Å; I20-F24 VanDerWaalsContact CG2-CE2 3.47Å; I20-F24 WeakPolarHBondContact O-CD2 3.44Å; I20-F24 PolarHBondContact O-N 2.92Å
21	G	81.2	Confident	76.4	Confident	28 Å²	28	99.7 Å²	99.7	29%	0.289	51%	0.513	S	S	.	.	H	α-helix	trans	-56.2	-51.1	175.1	0	0	0	0	0	111.7	V17 F18 F23 F24 L25	V17-G21 PolarHBondContact O-N 3.08Å; V17-G21 VanDerWaalsContact O-N 3.09Å; F18-G21 PolarHBondContact O-N 3.37Å; G21-F23 VanDerWaalsContact C-N 3.27Å; G21-F23 PolarHBondContact O-N 2.68Å; G21-F24 PolarHBondContact O-N 3.22Å; G21-L25 WeakPolarHBondContact O-CB 3.25Å; G21-L25 VanDerWaalsContact O-CD1 3.28Å; G21-L25 WeakPolarHBondContact O-CD1 3.35Å; G21-L25 WeakPolarHBondContact O-CG 3.33Å; G21-L25 PolarHBondContact O-N 3.34Å
22	F	84.9	Confident	77.9	Confident	118 Å²	118	98 Å²	98	52%	0.518	50%	0.499	S	S	.	.	H	α-helix	trans	-60.5	-34.7	178.4	-83.8	-99.7	0	0	0	113.1	F18 P19 I20 G26	F18-F22 AromaticContact CD1-CD2 3.7Å; F18-F22 HydrophobicContact CD1-CD2 3.7Å; F18-F22 AromaticContact CD1-CE2 3.59Å; F18-F22 HydrophobicContact CD1-CE2 3.59Å; F18-F22 HydrophobicContact CD1-CZ 4.46Å; F18-F22 HydrophobicContact CD2-CD2 4.42Å; F18-F22 AromaticContact CD2-CE2 3.84Å; F18-F22 HydrophobicContact CD2-CE2 3.84Å; F18-F22 AromaticContact CE1-CD2 3.64Å; F18-F22 HydrophobicContact CE1-CD2 3.64Å; F18-F22 HydrophobicContact CE1-CE1 4.47Å; F18-F22 AromaticContact CE1-CE2 3.12Å; F18-F22 HydrophobicContact CE1-CE2 3.12Å; F18-F22 AromaticContact CE1-CZ 3.59Å; F18-F22 HydrophobicContact CE1-CZ 3.59Å; F18-F22 HydrophobicContact CE2-CD2 4.37Å; F18-F22 AromaticContact CE2-CE2 3.42Å; F18-F22 HydrophobicContact CE2-CE2 3.42Å; F18-F22 VanDerWaalsContact CE2-CE2 3.42Å; F18-F22 HydrophobicContact CE2-CZ 4.05Å; F18-F22 HydrophobicContact CG-CD2 4.12Å; F18-F22 AromaticContact CG-CE2 3.94Å; F18-F22 HydrophobicContact CG-CE2 3.94Å; F18-F22 HydrophobicContact CZ-CD2 4.01Å; F18-F22 AromaticContact CZ-CE2 3.05Å; F18-F22 HydrophobicContact CZ-CE2 3.05Å; F18-F22 AromaticContact CZ-CZ 3.36Å; F18-F22 HydrophobicContact CZ-CZ 3.36Å; F18-F22 VanDerWaalsContact O-CD2 3.27Å; F18-F22 WeakPolarHBondContact O-CD2 3.41Å; F18-F22 PolarHBondContact O-N 3.28Å; F18-F22 VanDerWaalsContact O-N 3.07Å; P19-F22 PolarHBondContact O-N 3.21Å; I20-F22 PolarHBondContact O-N 3.37Å; F22-G26 PolarHBondContact O-N 2.9Å
23	F	87.3	Confident	79.3	Confident	143 Å²	143	102.8 Å²	102.8	63%	0.627	51%	0.507	S	S	*	.	H	α-helix	trans	-65.8	-47.7	174.6	-174.5	-96.3	0	0	0	111.8	P19 I20 G21 L25 G26 C27	P19-F23 WeakPolarHBondContact O-CB 3.18Å; P19-F23 PolarHBondContact O-N 3.2Å; I20-F23 PolarHBondContact O-N 2.69Å; G21-F23 VanDerWaalsContact C-N 3.27Å; G21-F23 PolarHBondContact O-N 2.68Å; F23-L25 VanDerWaalsContact C-N 3.31Å; F23-L25 PolarHBondContact O-N 3.42Å; F23-G26 PolarHBondContact O-N 3.45Å; F23-C27 VanDerWaalsContact CE1-SG 3.58Å; F23-C27 PolarHBondContact O-N 3.17Å; F23-C27 PolarHBondContact O-SG 2.87Å; F23-C27 VanDerWaalsContact O-SG 3.35Å
24	F	88.1	Confident	81	Confident	140 Å²	140	104 Å²	104	61%	0.614	51%	0.507	S	S	*	.	H	α-helix	trans	-59.7	-43.3	175.8	-81.1	-68	0	0	0	112.1	I20 G21 C27 W28	I20-F24 HydrophobicContact CG2-CD2 3.72Å; I20-F24 HydrophobicContact CG2-CE2 3.47Å; I20-F24 VanDerWaalsContact CG2-CE2 3.47Å; I20-F24 WeakPolarHBondContact O-CD2 3.44Å; I20-F24 PolarHBondContact O-N 2.92Å; G21-F24 PolarHBondContact O-N 3.22Å; F24-C27 PolarHBondContact O-N 2.77Å; F24-W28 WeakPolarHBondContact O-CB 3.39Å; F24-W28 PolarHBondContact O-N 3.46Å
25	L	89.6	Confident	82.5	Confident	45 Å²	45	102.5 Å²	102.5	24%	0.236	50%	0.497	C	S	.	.	H	α-helix	trans	-64.9	-42.4	177	-67.9	160.6	0	0	0	111.3	G21 F23 W28 Q29 W228	G21-L25 WeakPolarHBondContact O-CB 3.25Å; G21-L25 VanDerWaalsContact O-CD1 3.28Å; G21-L25 WeakPolarHBondContact O-CD1 3.35Å; G21-L25 WeakPolarHBondContact O-CG 3.33Å; G21-L25 PolarHBondContact O-N 3.34Å; F23-L25 VanDerWaalsContact C-N 3.31Å; F23-L25 PolarHBondContact O-N 3.42Å; L25-W28 PolarHBondContact O-N 2.87Å; L25-Q29 WeakPolarHBondContact O-CB 3.25Å; L25-Q29 WeakPolarHBondContact O-CG 3.04Å; L25-Q29 PolarHBondContact O-N 3.38Å; L25-W228 HydrophobicContact CB-CH2 3.75Å; L25-W228 HydrophobicContact CB-CZ2 4.42Å; L25-W228 HydrophobicContact CB-CZ3 4.43Å; L25-W228 HydrophobicContact CD1-CE3 4.03Å; L25-W228 HydrophobicContact CD1-CH2 3.21Å; L25-W228 HydrophobicContact CD1-CZ2 4.35Å; L25-W228 HydrophobicContact CD1-CZ3 3.01Å; L25-W228 HydrophobicContact CD2-CD2 4.36Å; L25-W228 HydrophobicContact CD2-CE3 4.04Å; L25-W228 HydrophobicContact CD2-CH2 3.2Å; L25-W228 HydrophobicContact CD2-CZ2 3.48Å; L25-W228 VanDerWaalsContact CD2-CZ2 3.48Å; L25-W228 HydrophobicContact CD2-CZ3 3.52Å; L25-W228 HydrophobicContact CG-CH2 3.49Å; L25-W228 VanDerWaalsContact CG-CH2 3.49Å; L25-W228 HydrophobicContact CG-CZ2 4.24Å; L25-W228 HydrophobicContact CG-CZ3 3.74Å
26	G	88.6	Confident	83.9	Confident	34 Å²	34	98.9 Å²	98.9	35%	0.351	48%	0.476	S	S	.	.	H	α-helix	trans	-59.4	-47.8	173.3	0	0	0	0	0	112.2	F22 F23 W28 Q29 V30	F22-G26 PolarHBondContact O-N 2.9Å; F23-G26 PolarHBondContact O-N 3.45Å; G26-W28 VanDerWaalsContact C-N 3.32Å; G26-W28 PolarHBondContact O-N 3.15Å; G26-Q29 PolarHBondContact O-N 2.94Å; G26-V30 WeakPolarHBondContact O-CG2 3.49Å; G26-V30 PolarHBondContact O-N 3.16Å
27	C	90.1	Very high	85.2	Confident	50 Å²	50	97.9 Å²	97.9	34%	0.338	47%	0.471	S	S	.	.	H	α-helix	trans	-60.2	-42.1	174.9	-70.3	0	0	0	0	112	F23 F24 V30 K31	F23-C27 VanDerWaalsContact CE1-SG 3.58Å; F23-C27 PolarHBondContact O-N 3.17Å; F23-C27 PolarHBondContact O-SG 2.87Å; F23-C27 VanDerWaalsContact O-SG 3.35Å; F24-C27 PolarHBondContact O-N 2.77Å; C27-V30 PolarHBondContact O-N 3.21Å; C27-K31 WeakPolarHBondContact O-CG 3.01Å; C27-K31 PolarHBondContact O-N 3.21Å
28	W	87.9	Confident	86.2	Confident	96 Å²	96	99.6 Å²	99.6	36%	0.364	47%	0.471	S	S	.	.	H	α-helix	trans	-64.3	-45	176.6	179.5	82.5	0	0	0	111.9	F24 L25 G26 V30 K31 R32 Y224	F24-W28 WeakPolarHBondContact O-CB 3.39Å; F24-W28 PolarHBondContact O-N 3.46Å; L25-W28 PolarHBondContact O-N 2.87Å; G26-W28 VanDerWaalsContact C-N 3.32Å; G26-W28 PolarHBondContact O-N 3.15Å; W28-V30 VanDerWaalsContact C-N 3.33Å; W28-V30 PolarHBondContact O-N 2.79Å; W28-K31 PolarHBondContact O-N 3.43Å; W28-R32 VanDerWaalsContact O-CB 3.25Å; W28-R32 WeakPolarHBondContact O-CB 3.42Å; W28-R32 PolarHBondContact O-N 3.19Å; W28-Y224 AromaticContact CH2-CD1 3.68Å; W28-Y224 HydrophobicContact CH2-CD1 3.68Å; W28-Y224 AromaticContact CH2-CE1 3.27Å; W28-Y224 HydrophobicContact CH2-CE1 3.27Å; W28-Y224 HydrophobicContact CZ2-CE1 4.38Å; W28-Y224 HydrophobicContact CZ3-CD1 4.1Å; W28-Y224 AromaticContact CZ3-CE1 3.73Å; W28-Y224 HydrophobicContact CZ3-CE1 3.73Å
29	Q	89.5	Confident	86.9	Confident	86 Å²	86	95.4 Å²	95.4	40%	0.402	45%	0.454	S	S	.	.	H	α-helix	trans	-59.6	-41.4	176.6	-71.9	-71.2	-4.3	0	0	111.8	L25 G26 R32 R33	L25-Q29 WeakPolarHBondContact O-CB 3.25Å; L25-Q29 WeakPolarHBondContact O-CG 3.04Å; L25-Q29 PolarHBondContact O-N 3.38Å; G26-Q29 PolarHBondContact O-N 2.94Å; Q29-R32 PolarHBondContact O-N 3.33Å; Q29-R33 WeakPolarHBondContact O-CB 3.47Å; Q29-R33 PolarHBondContact O-N 2.91Å
30	V	88.8	Confident	87.1	Confident	89 Å²	89	94.1 Å²	94.1	54%	0.539	44%	0.443	S	S	.	.	H	α-helix	trans	-63.9	-49.6	175.1	173	0	0	0	0	111.1	G26 C27 W28 R32 R33 I34	G26-V30 WeakPolarHBondContact O-CG2 3.49Å; G26-V30 PolarHBondContact O-N 3.16Å; C27-V30 PolarHBondContact O-N 3.21Å; W28-V30 VanDerWaalsContact C-N 3.33Å; W28-V30 PolarHBondContact O-N 2.79Å; V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 3.15Å; V30-R33 PolarHBondContact O-N 3.12Å; V30-I34 HydrophobicContact CG1-CD1 3.9Å; V30-I34 WeakPolarHBondContact O-CG1 3.49Å; V30-I34 PolarHBondContact O-N 2.81Å
31	K	89.1	Confident	87.4	Confident	154 Å²	154	91.9 Å²	91.9	67%	0.67	44%	0.439	S	S	*	.	H	α-helix	trans	-57.8	-43.4	176.1	-75.2	-178.4	178.6	-177.8	0	111.6	C27 W28 I34 W35	C27-K31 WeakPolarHBondContact O-CG 3.01Å; C27-K31 PolarHBondContact O-N 3.21Å; W28-K31 PolarHBondContact O-N 3.43Å; K31-I34 PolarHBondContact O-N 3.17Å; K31-W35 WeakPolarHBondContact O-CB 3.29Å; K31-W35 PolarHBondContact O-N 3.45Å
32	R	88	Confident	87.5	Confident	79 Å²	79	94.7 Å²	94.7	30%	0.298	45%	0.445	S	S	.	.	H	α-helix	trans	-62.3	-44.1	178.2	-175.5	64.8	174.9	-178.9	0.5	111.6	W28 Q29 V30 W35 K36 Y224	W28-R32 VanDerWaalsContact O-CB 3.25Å; W28-R32 WeakPolarHBondContact O-CB 3.42Å; W28-R32 PolarHBondContact O-N 3.19Å; Q29-R32 PolarHBondContact O-N 3.33Å; V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 3.15Å; R32-W35 VanDerWaalsContact CZ-CZ3 3.41Å; R32-W35 VanDerWaalsContact NH1-CZ3 3.29Å; R32-W35 PolarHBondContact O-N 3.5Å; R32-K36 WeakPolarHBondContact O-CB 3.09Å; R32-K36 PolarHBondContact O-N 2.85Å; R32-Y224 PolarHBondContact NE-OH 3.49Å
33	R	87.7	Confident	87.6	Confident	172 Å²	172	90.1 Å²	90.1	65%	0.649	43%	0.426	S	S	*	.	H	α-helix	trans	-62.2	-44.3	175.8	-173.5	-179	-176.4	-165.6	1.7	111.7	Q29 V30 K36 K37	Q29-R33 WeakPolarHBondContact O-CB 3.47Å; Q29-R33 PolarHBondContact O-N 2.91Å; V30-R33 PolarHBondContact O-N 3.12Å; R33-K36 PolarHBondContact O-N 3.31Å; R33-K37 WeakPolarHBondContact O-CB 3.49Å; R33-K37 WeakPolarHBondContact O-CG 3.46Å; R33-K37 PolarHBondContact O-N 3.21Å
34	I	88.5	Confident	87.4	Confident	109 Å²	109	88.9 Å²	88.9	56%	0.559	42%	0.422	S	S	*	.	H	α-helix	trans	-61.8	-47.5	177.4	-67.2	166	0	0	0	110.4	V30 K31 K36 K37 K38	V30-I34 HydrophobicContact CG1-CD1 3.9Å; V30-I34 WeakPolarHBondContact O-CG1 3.49Å; V30-I34 PolarHBondContact O-N 2.81Å; K31-I34 PolarHBondContact O-N 3.17Å; I34-K36 PolarHBondContact O-N 2.77Å; I34-K37 PolarHBondContact O-N 2.95Å; I34-K38 PolarHBondContact O-N 2.87Å
35	W	86.8	Confident	87.2	Confident	122 Å²	122	89 Å²	89	46%	0.462	42%	0.424	S	S	.	.	H	α-helix	trans	-57.8	-48.4	175.8	172.5	80.8	0	0	0	112	K31 R32 K37 K38 L39	K31-W35 WeakPolarHBondContact O-CB 3.29Å; K31-W35 PolarHBondContact O-N 3.45Å; R32-W35 VanDerWaalsContact CZ-CZ3 3.41Å; R32-W35 VanDerWaalsContact NH1-CZ3 3.29Å; R32-W35 PolarHBondContact O-N 3.5Å; W35-K37 VanDerWaalsContact C-N 3.35Å; W35-K37 PolarHBondContact O-N 3.13Å; W35-K38 PolarHBondContact O-N 2.86Å; W35-L39 HydrophobicContact CH2-CD2 3.81Å; W35-L39 HydrophobicContact CZ2-CD2 3.71Å; W35-L39 HydrophobicContact CZ3-CD2 4.5Å; W35-L39 PolarHBondContact O-N 3.34Å
36	K	86.8	Confident	86.9	Confident	55 Å²	55	92.3 Å²	92.3	24%	0.239	43%	0.433	C	S	.	.	H	α-helix	trans	-61.3	-42.6	179	-174.5	175.4	-179.3	177.8	0	111.7	R32 R33 I34 L39 L40 D219	R32-K36 WeakPolarHBondContact O-CB 3.09Å; R32-K36 PolarHBondContact O-N 2.85Å; R33-K36 PolarHBondContact O-N 3.31Å; I34-K36 PolarHBondContact O-N 2.77Å; K36-L39 PolarHBondContact O-N 3.47Å; K36-L40 HydrophobicContact CG-CD1 4.29Å; K36-L40 WeakPolarHBondContact O-CG 3.48Å; K36-L40 PolarHBondContact O-N 2.69Å; K36-D219 IonicContact NZ-OD1 2.72Å; K36-D219 PolarHBondContact NZ-OD1 2.97Å; K36-D219 IonicContact NZ-OD2 2.66Å; K36-D219 PolarHBondContact NZ-OD2 2.88Å
37	K	87.3	Confident	86.6	Confident	125 Å²	125	92.2 Å²	92.2	54%	0.543	43%	0.426	S	S	.	.	H	α-helix	trans	-61.1	-43.9	175	-79	-172.6	171.7	-166.4	0	112.1	R33 I34 W35 L39 L40 A41	R33-K37 WeakPolarHBondContact O-CB 3.49Å; R33-K37 WeakPolarHBondContact O-CG 3.46Å; R33-K37 PolarHBondContact O-N 3.21Å; I34-K37 PolarHBondContact O-N 2.95Å; W35-K37 VanDerWaalsContact C-N 3.35Å; W35-K37 PolarHBondContact O-N 3.13Å; K37-L39 VanDerWaalsContact C-N 3.32Å; K37-L39 PolarHBondContact O-N 2.8Å; K37-L40 PolarHBondContact O-N 3.44Å; K37-A41 WeakPolarHBondContact O-CB 3.46Å; K37-A41 PolarHBondContact O-N 2.79Å
38	K	88.9	Confident	86.3	Confident	139 Å²	139	94.4 Å²	94.4	60%	0.604	44%	0.441	S	S	*	.	H	α-helix	trans	-61.3	-42.1	176.7	-174.5	177.3	179.2	178.8	0	111.4	I34 W35 A41 Q42	I34-K38 PolarHBondContact O-N 2.87Å; W35-K38 PolarHBondContact O-N 2.86Å; K38-A41 PolarHBondContact O-N 2.95Å; K38-Q42 WeakPolarHBondContact O-CG 3.49Å; K38-Q42 PolarHBondContact O-N 2.95Å
39	L	86	Confident	86.3	Confident	47 Å²	47	94.1 Å²	94.1	25%	0.246	45%	0.446	C	S	.	.	H	α-helix	trans	-67.7	-42.1	178.9	-171.5	54.7	0	0	0	112	W35 K36 K37 Q42 L43 I217	W35-L39 HydrophobicContact CH2-CD2 3.81Å; W35-L39 HydrophobicContact CZ2-CD2 3.71Å; W35-L39 HydrophobicContact CZ3-CD2 4.5Å; W35-L39 PolarHBondContact O-N 3.34Å; K36-L39 PolarHBondContact O-N 3.47Å; K37-L39 VanDerWaalsContact C-N 3.32Å; K37-L39 PolarHBondContact O-N 2.8Å; L39-Q42 PolarHBondContact O-N 3.12Å; L39-L43 WeakPolarHBondContact O-CG 3.3Å; L39-L43 PolarHBondContact O-N 3.2Å; L39-I217 HydrophobicContact CB-CD1 3.76Å; L39-I217 HydrophobicContact CD2-CD1 3.58Å; L39-I217 HydrophobicContact CG-CD1 3.46Å; L39-I217 VanDerWaalsContact CG-CD1 3.46Å
40	L	84.3	Confident	86.4	Confident	47 Å²	47	97.6 Å²	97.6	25%	0.246	46%	0.463	C	S	.	.	H	α-helix	trans	-60.1	-45	172.9	-75	168.5	0	0	0	111.7	K36 K37 Q42 L43 E44 V215 I217	K36-L40 HydrophobicContact CG-CD1 4.29Å; K36-L40 WeakPolarHBondContact O-CG 3.48Å; K36-L40 PolarHBondContact O-N 2.69Å; K37-L40 PolarHBondContact O-N 3.44Å; L40-Q42 VanDerWaalsContact C-N 3.34Å; L40-Q42 PolarHBondContact O-N 2.93Å; L40-L43 PolarHBondContact O-N 2.85Å; L40-L43 VanDerWaalsContact O-N 3.15Å; L40-E44 WeakPolarHBondContact O-CG 3.35Å; L40-E44 PolarHBondContact O-N 2.81Å; L40-V215 WeakPolarHBondContact CD2-O 3.24Å; L40-I217 HydrophobicContact CD2-CD1 3.9Å; L40-I217 HydrophobicContact CD2-CG1 3.97Å; L40-I217 HydrophobicContact CG-CD1 3.86Å; L40-I217 HydrophobicContact CG-CG1 4.48Å
41	A	85.2	Confident	86.7	Confident	52 Å²	52	94.5 Å²	94.5	43%	0.43	45%	0.445	S	S	.	.	H	α-helix	trans	-60.9	-41.6	177.6	0	0	0	0	0	112.3	K37 K38 L43 E44 E45	K37-A41 WeakPolarHBondContact O-CB 3.46Å; K37-A41 PolarHBondContact O-N 2.79Å; K38-A41 PolarHBondContact O-N 2.95Å; A41-L43 VanDerWaalsContact C-N 3.33Å; A41-L43 PolarHBondContact O-N 3.31Å; A41-E44 PolarHBondContact O-N 2.75Å; A41-E45 WeakPolarHBondContact O-CB 3.24Å; A41-E45 PolarHBondContact O-N 2.84Å
42	Q	84.8	Confident	87	Confident	87 Å²	87	90 Å²	90	41%	0.407	43%	0.43	S	S	.	.	H	α-helix	trans	-63.5	-36.9	174.8	-73.9	176.4	-21.7	0	0	112.7	K38 L39 L40 R46	K38-Q42 WeakPolarHBondContact O-CG 3.49Å; K38-Q42 PolarHBondContact O-N 2.95Å; L39-Q42 PolarHBondContact O-N 3.12Å; L40-Q42 VanDerWaalsContact C-N 3.34Å; L40-Q42 PolarHBondContact O-N 2.93Å; Q42-R46 WeakPolarHBondContact O-CG 3.28Å; Q42-R46 PolarHBondContact O-N 2.93Å
43	L	85.5	Confident	87.3	Confident	22 Å²	22	91.2 Å²	91.2	12%	0.115	44%	0.442	C	S	.	.	H	α-helix	trans	-71.3	-41.8	176	-68.6	175.8	0	0	0	111.7	L39 L40 A41 E45 R46 V47 F66 V215 I217	L39-L43 WeakPolarHBondContact O-CG 3.3Å; L39-L43 PolarHBondContact O-N 3.2Å; L40-L43 PolarHBondContact O-N 2.85Å; L40-L43 VanDerWaalsContact O-N 3.15Å; A41-L43 VanDerWaalsContact C-N 3.33Å; A41-L43 PolarHBondContact O-N 3.31Å; L43-E45 VanDerWaalsContact C-N 3.3Å; L43-E45 PolarHBondContact O-N 2.82Å; L43-R46 PolarHBondContact O-N 2.85Å; L43-V47 WeakPolarHBondContact O-CG2 3.28Å; L43-V47 PolarHBondContact O-N 2.89Å; L43-F66 HydrophobicContact CD2-CB 4.39Å; L43-F66 HydrophobicContact CD2-CD2 3.45Å; L43-F66 VanDerWaalsContact CD2-CD2 3.45Å; L43-F66 HydrophobicContact CD2-CE2 3.78Å; L43-F66 HydrophobicContact CD2-CG 3.93Å; L43-V215 HydrophobicContact CB-CG1 3.43Å; L43-V215 VanDerWaalsContact CB-CG1 3.43Å; L43-V215 HydrophobicContact CD1-CG1 4.13Å; L43-V215 HydrophobicContact CG-CG1 4.4Å; L43-I217 HydrophobicContact CD1-CD1 4.17Å; L43-I217 HydrophobicContact CD1-CG1 3.79Å
44	E	83.3	Confident	87.7	Confident	116 Å²	116	83.6 Å²	83.6	54%	0.542	41%	0.414	S	S	.	.	H	α-helix	trans	-61	-39.7	174.9	-74.6	175.4	-179.4	0	0	111.7	L40 A41 V47 C48	L40-E44 WeakPolarHBondContact O-CG 3.35Å; L40-E44 PolarHBondContact O-N 2.81Å; A41-E44 PolarHBondContact O-N 2.75Å; E44-V47 PolarHBondContact O-N 3.31Å; E44-C48 WeakPolarHBondContact O-CB 3.27Å; E44-C48 PolarHBondContact O-N 3.03Å; E44-C48 PolarHBondContact O-SG 2.92Å
45	E	83.5	Confident	88	Confident	143 Å²	143	79.5 Å²	79.5	67%	0.668	40%	0.395	S	S	*	.	H	α-helix	trans	-60.1	-49.1	174	-174.9	178.4	-170.6	0	0	111.4	A41 L43 V47 C48 D49	A41-E45 WeakPolarHBondContact O-CB 3.24Å; A41-E45 PolarHBondContact O-N 2.84Å; L43-E45 VanDerWaalsContact C-N 3.3Å; L43-E45 PolarHBondContact O-N 2.82Å; E45-V47 VanDerWaalsContact C-N 3.29Å; E45-V47 PolarHBondContact O-N 2.78Å; E45-C48 CarbonylContact O-C 3.37Å; E45-C48 PolarHBondContact O-N 3.31Å; E45-D49 PolarHBondContact O-N 2.79Å
46	R	84	Confident	88.3	Confident	114 Å²	114	79.5 Å²	79.5	43%	0.43	40%	0.404	S	S	.	.	H	α-helix	trans	-60.7	-36.4	177.3	-72.3	-176.8	-177.2	-163.5	1.3	113.5	Q42 L43 C48 E65 F66	Q42-R46 WeakPolarHBondContact O-CG 3.28Å; Q42-R46 PolarHBondContact O-N 2.93Å; L43-R46 PolarHBondContact O-N 2.85Å; R46-C48 VanDerWaalsContact C-N 3.3Å; R46-E65 PolarHBondContact NH1-O 2.86Å; R46-F66 CarbonylContact C-O 3.47Å; R46-F66 HydrophobicContact CB-CB 4.28Å
47	V	83	Confident	88.7	Confident	33 Å²	33	79.1 Å²	79.1	20%	0.2	41%	0.405	C	S	.	.	H	α-helix	trans	-75.4	-21.3	177.9	174.1	0	0	0	0	111.6	L43 E44 E45 F66 R68 V156 V215	L43-V47 WeakPolarHBondContact O-CG2 3.28Å; L43-V47 PolarHBondContact O-N 2.89Å; E44-V47 PolarHBondContact O-N 3.31Å; E45-V47 VanDerWaalsContact C-N 3.29Å; E45-V47 PolarHBondContact O-N 2.78Å; V47-F66 HydrophobicContact CG2-CB 4.02Å; V47-F66 HydrophobicContact CG2-CD1 4.07Å; V47-R68 WeakPolarHBondContact O-CD 3.24Å; V47-V156 HydrophobicContact CG1-CG2 4.16Å; V47-V156 HydrophobicContact CG2-CG1 4.28Å; V47-V215 HydrophobicContact CG2-CG2 4.21Å
48	C	82.9	Confident	89	Confident	96 Å²	96	75.2 Å²	75.2	65%	0.649	39%	0.389	S	S	*	.	H	α-helix	trans	-96.5	-10.1	177	-69.5	0	0	0	0	113.7	E44 E45 R46	E44-C48 WeakPolarHBondContact O-CB 3.27Å; E44-C48 PolarHBondContact O-N 3.03Å; E44-C48 PolarHBondContact O-SG 2.92Å; E45-C48 CarbonylContact O-C 3.37Å; E45-C48 PolarHBondContact O-N 3.31Å; R46-C48 VanDerWaalsContact C-N 3.3Å
49	D	88.1	Confident	89.3	Confident	89 Å²	89	77.7 Å²	77.7	48%	0.476	40%	0.395	S	S	.	.	S	Bend	trans	-60	163.1	-179.3	-159.9	10.8	0	0	0	112.6	E45 R68	E45-D49 PolarHBondContact O-N 2.79Å; D49-R68 WeakPolarHBondContact O-CD 3.29Å; D49-R68 PolarHBondContact O-NH1 2.97Å
50	E	92.4	Very high	89.7	Confident	160 Å²	160	81.2 Å²	81.2	75%	0.748	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-63.3	136	176.4	-72.4	-168.9	168	0	0	110.7	V52	E50-V52 PolarHBondContact O-N 2.82Å
51	P	94.5	Very high	90.1	Very high	24 Å²	24	79.3 Å²	79.3	16%	0.156	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-67.7	129.7	179.3	28.9	-34.2	0	0	0	110.5	R68 R70 I154	P51-R68 WeakPolarHBondContact CA-O 3.01Å; P51-R68 HydrophobicContact CB-CB 3.99Å; P51-R70 HydrophobicContact CB-CB 4.49Å; P51-I154 HydrophobicContact CB-CG1 4.48Å; P51-I154 HydrophobicContact CB-CG2 3.79Å; P51-I154 HydrophobicContact CG-CD1 4.19Å; P51-I154 HydrophobicContact CG-CG2 4.41Å
52	V	95	Very high	90.5	Very high	60 Å²	60	80.2 Å²	80.2	36%	0.364	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	154	173	-60	0	0	0	0	110.2	E50 M64 R68 I69 R70	E50-V52 PolarHBondContact O-N 2.82Å; V52-M64 HydrophobicContact CG2-CE 3.56Å; V52-R68 PolarHBondContact N-O 3.32Å; V52-I69 HydrophobicContact CG2-CD1 3.58Å; V52-I69 CarbonylContact O-C 3.58Å; V52-I69 WeakPolarHBondContact O-CA 3.31Å; V52-R70 PolarHBondContact O-N 3.24Å
53	D	95.8	Very high	90.9	Very high	104 Å²	104	82.5 Å²	82.5	56%	0.556	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	154.6	177.1	-58.8	-34.1	0	0	0	111.4	P55 R70	D53-P55 WeakPolarHBondContact O-CD 3.46Å; D53-R70 IonicContact OD1-CZ 3.47Å; D53-R70 IonicContact OD1-NH1 3.83Å; D53-R70 PolarHBondContact OD1-NH1 3.32Å
54	L	95.8	Very high	91.2	Very high	12 Å²	12	82.7 Å²	82.7	6%	0.063	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-58.6	120	176.2	-174.4	75	0	0	0	110.3	L58 L61 I69 R70 V71 V118 Y123	L54-L58 HydrophobicContact CD1-CD2 4.15Å; L54-L58 HydrophobicContact CD2-CD2 4.3Å; L54-L58 HydrophobicContact CG-CD2 4.19Å; L54-L61 HydrophobicContact CD1-CD1 3.99Å; L54-L61 HydrophobicContact CD1-CD2 4.45Å; L54-I69 HydrophobicContact CB-CG2 3.92Å; L54-I69 HydrophobicContact CD1-CG2 3.86Å; L54-R70 PolarHBondContact N-O 2.86Å; L54-V71 HydrophobicContact CB-CG1 3.84Å; L54-V71 HydrophobicContact CD1-CG1 4.35Å; L54-V71 HydrophobicContact CD2-CG1 4.06Å; L54-V71 HydrophobicContact CG-CG1 4.32Å; L54-V118 HydrophobicContact CD2-CG1 4.07Å; L54-V118 HydrophobicContact CD2-CG2 4.2Å; L54-Y123 HydrophobicContact CD2-CE2 4.18Å; L54-Y123 WeakPolarHBondContact CD2-OH 3.35Å
55	P	95	Very high	91.6	Very high	22 Å²	22	80.1 Å²	80.1	14%	0.143	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-66.1	146.3	-178.3	27.4	-34.6	0	0	0	111.2	D53 D57 K60 L61 M64	D53-P55 WeakPolarHBondContact O-CD 3.46Å; P55-D57 PolarHBondContact O-N 2.67Å; P55-K60 HydrophobicContact CB-CD 4.32Å; P55-K60 HydrophobicContact CG-CB 4.38Å; P55-L61 HydrophobicContact CG-CD2 4.02Å; P55-L61 HydrophobicContact CG-CG 4.09Å; P55-M64 HydrophobicContact CG-SD 4.47Å
56	D	93.1	Very high	92	Very high	122 Å²	122	74.2 Å²	74.2	65%	0.652	38%	0.377	S	S	*	.	S	Bend	trans	-58.5	-38.9	174.5	-59.5	-39.6	0	0	0	111.8	R121	D56-R121 IonicContact OD1-CZ 2.81Å; D56-R121 IonicContact OD1-NH1 2.72Å; D56-R121 PolarHBondContact OD1-NH1 3.44Å; D56-R121 IonicContact OD1-NH2 3.8Å; D56-R121 PolarHBondContact OD1-NH2 3.22Å
57	D	94.5	Very high	92.4	Very high	48 Å²	48	72.3 Å²	72.3	26%	0.257	37%	0.372	S	S	.	.	S	Bend	trans	-92.6	99.6	174.7	-175.4	1.9	0	0	0	110.8	P55 R59 K60	P55-D57 PolarHBondContact O-N 2.67Å; D57-R59 PolarHBondContact O-N 2.72Å; D57-R59 VanDerWaalsContact O-N 3.11Å; D57-R59 VanDerWaalsContact OD1-CB 3.25Å; D57-R59 WeakPolarHBondContact OD1-CB 3.36Å; D57-R59 WeakPolarHBondContact OD1-CG 3.42Å; D57-R59 IonicContact OD1-CZ 3.66Å; D57-R59 PolarHBondContact OD1-N 2.99Å; D57-R59 IonicContact OD1-NE 2.84Å; D57-R59 PolarHBondContact OD1-NE 3.17Å; D57-R59 IonicContact OD1-NH2 3.63Å; D57-R59 IonicContact OD2-CZ 3.35Å; D57-R59 IonicContact OD2-NE 3.15Å; D57-R59 PolarHBondContact OD2-NE 3.49Å; D57-R59 VanDerWaalsContact OD2-NE 3.15Å; D57-R59 IonicContact OD2-NH2 2.73Å; D57-R59 PolarHBondContact OD2-NH2 3Å; D57-K60 HydrophobicContact CB-CD 4.36Å; D57-K60 HydrophobicContact CB-CG 4.36Å; D57-K60 WeakPolarHBondContact O-CB 3.34Å; D57-K60 PolarHBondContact O-N 3.47Å; D57-K60 VanDerWaalsContact O-N 3.16Å
58	L	94.3	Very high	93	Very high	43 Å²	43	72.8 Å²	72.8	23%	0.225	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-61.3	-18.7	180	-59.9	-177.1	0	0	0	113.5	L54 K60 L61 Y123 A192 V194	L54-L58 HydrophobicContact CD1-CD2 4.15Å; L54-L58 HydrophobicContact CD2-CD2 4.3Å; L54-L58 HydrophobicContact CG-CD2 4.19Å; L58-K60 PolarHBondContact O-N 3.41Å; L58-L61 HydrophobicContact CB-CD1 4.36Å; L58-L61 HydrophobicContact CD2-CD1 3.88Å; L58-L61 VanDerWaalsContact O-CB 3.3Å; L58-L61 WeakPolarHBondContact O-CB 3.43Å; L58-L61 PolarHBondContact O-N 3.12Å; L58-L61 VanDerWaalsContact O-N 3.07Å; L58-Y123 HydrophobicContact CD1-CE1 4.49Å; L58-Y123 HydrophobicContact CD1-CE2 4.1Å; L58-Y123 HydrophobicContact CD2-CE2 4.47Å; L58-A192 HydrophobicContact CD1-CB 3.65Å; L58-V194 HydrophobicContact CB-CG2 4.36Å; L58-V194 HydrophobicContact CD1-CG2 4Å; L58-V194 HydrophobicContact CD2-CG2 4.17Å; L58-V194 HydrophobicContact CG-CG2 4.41Å
59	R	93.5	Very high	93.6	Very high	190 Å²	190	68.2 Å²	68.2	72%	0.717	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-61.8	-30.2	176.8	-61.9	173.5	-64.8	-177.6	3.7	111.9	D57 L61 S62	D57-R59 PolarHBondContact O-N 2.72Å; D57-R59 VanDerWaalsContact O-N 3.11Å; D57-R59 VanDerWaalsContact OD1-CB 3.25Å; D57-R59 WeakPolarHBondContact OD1-CB 3.36Å; D57-R59 WeakPolarHBondContact OD1-CG 3.42Å; D57-R59 IonicContact OD1-CZ 3.66Å; D57-R59 PolarHBondContact OD1-N 2.99Å; D57-R59 IonicContact OD1-NE 2.84Å; D57-R59 PolarHBondContact OD1-NE 3.17Å; D57-R59 IonicContact OD1-NH2 3.63Å; D57-R59 IonicContact OD2-CZ 3.35Å; D57-R59 IonicContact OD2-NE 3.15Å; D57-R59 PolarHBondContact OD2-NE 3.49Å; D57-R59 VanDerWaalsContact OD2-NE 3.15Å; D57-R59 IonicContact OD2-NH2 2.73Å; D57-R59 PolarHBondContact OD2-NH2 3Å; R59-L61 PolarHBondContact O-N 3.4Å; R59-S62 WeakPolarHBondContact O-CB 3.44Å; R59-S62 PolarHBondContact O-N 3.03Å; R59-S62 PolarHBondContact O-OG 2.68Å
60	K	94.4	Very high	94.1	Very high	122 Å²	122	67.2 Å²	67.2	53%	0.53	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-61.7	-24.1	176.9	-65.2	179.9	179.2	176.6	0	112.7	P55 D57 L58 S62 D63 M64	P55-K60 HydrophobicContact CB-CD 4.32Å; P55-K60 HydrophobicContact CG-CB 4.38Å; D57-K60 HydrophobicContact CB-CD 4.36Å; D57-K60 HydrophobicContact CB-CG 4.36Å; D57-K60 WeakPolarHBondContact O-CB 3.34Å; D57-K60 PolarHBondContact O-N 3.47Å; D57-K60 VanDerWaalsContact O-N 3.16Å; L58-K60 PolarHBondContact O-N 3.41Å; K60-S62 PolarHBondContact O-N 3.03Å; K60-D63 PolarHBondContact O-N 3.22Å; K60-D63 VanDerWaalsContact O-N 3.13Å; K60-M64 HydrophobicContact CB-SD 4.37Å; K60-M64 VanDerWaalsContact O-CG 3.31Å; K60-M64 WeakPolarHBondContact O-CG 3.09Å
61	L	94.3	Very high	94.3	Very high	7 Å²	7	59.7 Å²	59.7	4%	0.037	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-64.8	-21.2	179.6	-66.7	169.9	0	0	0	112.9	L54 P55 L58 R59 D63 M64 I69 N157 V194	L54-L61 HydrophobicContact CD1-CD1 3.99Å; L54-L61 HydrophobicContact CD1-CD2 4.45Å; P55-L61 HydrophobicContact CG-CD2 4.02Å; P55-L61 HydrophobicContact CG-CG 4.09Å; L58-L61 HydrophobicContact CB-CD1 4.36Å; L58-L61 HydrophobicContact CD2-CD1 3.88Å; L58-L61 VanDerWaalsContact O-CB 3.3Å; L58-L61 WeakPolarHBondContact O-CB 3.43Å; L58-L61 PolarHBondContact O-N 3.12Å; L58-L61 VanDerWaalsContact O-N 3.07Å; R59-L61 PolarHBondContact O-N 3.4Å; L61-D63 VanDerWaalsContact C-N 3.26Å; L61-D63 PolarHBondContact O-N 3.45Å; L61-M64 HydrophobicContact CD2-SD 4.37Å; L61-M64 PolarHBondContact O-N 3.31Å; L61-I69 HydrophobicContact CD2-CD1 4.13Å; L61-I69 HydrophobicContact CD2-CG1 4.25Å; L61-N157 PolarHBondContact O-ND2 3.03Å; L61-V194 HydrophobicContact CD1-CB 4.23Å; L61-V194 HydrophobicContact CD1-CG1 3.66Å; L61-V194 HydrophobicContact CD1-CG2 3.52Å
62	S	92.9	Very high	94.4	Very high	70 Å²	70	62 Å²	62	49%	0.49	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-62.3	-32.7	174.1	61.7	0	0	0	0	113	R59 K60	R59-S62 WeakPolarHBondContact O-CB 3.44Å; R59-S62 PolarHBondContact O-N 3.03Å; R59-S62 PolarHBondContact O-OG 2.68Å; K60-S62 PolarHBondContact O-N 3.03Å
63	D	92	Very high	94.5	Very high	135 Å²	135	59.2 Å²	59.2	72%	0.722	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-91.6	-3.5	178	-63	-44.6	0	0	0	113.2	K60 L61	K60-D63 PolarHBondContact O-N 3.22Å; K60-D63 VanDerWaalsContact O-N 3.13Å; L61-D63 VanDerWaalsContact C-N 3.26Å; L61-D63 PolarHBondContact O-N 3.45Å
64	M	92.3	Very high	94.6	Very high	27 Å²	27	59 Å²	59	13%	0.133	28%	0.277	C	S	.	.			trans	-108.6	27	-174.3	-61.8	176.1	73.7	0	0	112.3	V52 P55 K60 L61 F66 K67 I69 N157	V52-M64 HydrophobicContact CG2-CE 3.56Å; P55-M64 HydrophobicContact CG-SD 4.47Å; K60-M64 HydrophobicContact CB-SD 4.37Å; K60-M64 VanDerWaalsContact O-CG 3.31Å; K60-M64 WeakPolarHBondContact O-CG 3.09Å; L61-M64 HydrophobicContact CD2-SD 4.37Å; L61-M64 PolarHBondContact O-N 3.31Å; M64-F66 PolarHBondContact O-N 3.04Å; M64-K67 HydrophobicContact CB-CB 4.21Å; M64-K67 HydrophobicContact CB-CD 3.95Å; M64-K67 HydrophobicContact CB-CG 4.18Å; M64-K67 HydrophobicContact CE-CD 3.77Å; M64-K67 HydrophobicContact CG-CD 4Å; M64-K67 WeakPolarHBondContact O-CB 3.39Å; M64-K67 PolarHBondContact O-N 3.36Å; M64-K67 VanDerWaalsContact O-N 3.09Å; M64-I69 HydrophobicContact CE-CD1 3.72Å; M64-N157 PolarHBondContact O-ND2 3.27Å
65	E	92.1	Very high	94.7	Very high	61 Å²	61	59.5 Å²	59.5	29%	0.285	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	135	175.6	-162.7	-177.8	-165	0	0	110.4	R46 K67 R158 L159	R46-E65 PolarHBondContact NH1-O 2.86Å; E65-K67 PolarHBondContact O-N 2.89Å; E65-R158 IonicContact OE1-NE 2.69Å; E65-L159 HydrophobicContact CB-CD1 4.06Å; E65-L159 HydrophobicContact CB-CG 4.01Å; E65-L159 HydrophobicContact CG-CD1 4.21Å; E65-L159 HydrophobicContact CG-CG 3.85Å
66	F	92.1	Very high	94.7	Very high	20 Å²	20	60.6 Å²	60.6	9%	0.088	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	2.8	-174.9	-59.4	-82	0	0	0	116.3	L43 R46 V47 M64 V156 N157 T213	L43-F66 HydrophobicContact CD2-CB 4.39Å; L43-F66 HydrophobicContact CD2-CD2 3.45Å; L43-F66 VanDerWaalsContact CD2-CD2 3.45Å; L43-F66 HydrophobicContact CD2-CE2 3.78Å; L43-F66 HydrophobicContact CD2-CG 3.93Å; R46-F66 CarbonylContact C-O 3.47Å; R46-F66 HydrophobicContact CB-CB 4.28Å; V47-F66 HydrophobicContact CG2-CB 4.02Å; V47-F66 HydrophobicContact CG2-CD1 4.07Å; M64-F66 PolarHBondContact O-N 3.04Å; F66-V156 HydrophobicContact CB-CG1 4.41Å; F66-V156 HydrophobicContact CD1-CG1 4.37Å; F66-N157 PolarHBondContact N-O 2.92Å; F66-T213 HydrophobicContact CD1-CG2 4.43Å; F66-T213 HydrophobicContact CE1-CG2 4.47Å
67	K	93.2	Very high	94.8	Very high	73 Å²	73	56.7 Å²	56.7	32%	0.317	26%	0.262	S	S	.	.			trans	-76.1	147.3	170.4	-68.5	-161.6	173.5	-169.4	0	111.4	M64 E65 V156 N157	M64-K67 HydrophobicContact CB-CB 4.21Å; M64-K67 HydrophobicContact CB-CD 3.95Å; M64-K67 HydrophobicContact CB-CG 4.18Å; M64-K67 HydrophobicContact CE-CD 3.77Å; M64-K67 HydrophobicContact CG-CD 4Å; M64-K67 WeakPolarHBondContact O-CB 3.39Å; M64-K67 PolarHBondContact O-N 3.36Å; M64-K67 VanDerWaalsContact O-N 3.09Å; E65-K67 PolarHBondContact O-N 2.89Å; K67-V156 WeakPolarHBondContact O-CA 3.35Å; K67-N157 PolarHBondContact O-N 3.48Å
68	R	95.2	Very high	94.7	Very high	44 Å²	44	63.6 Å²	63.6	17%	0.166	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.6	172.2	-71.6	177.2	63	-158.2	18.8	110.3	V47 D49 P51 V52 I154 G155 V156 D199	V47-R68 WeakPolarHBondContact O-CD 3.24Å; D49-R68 WeakPolarHBondContact O-CD 3.29Å; D49-R68 PolarHBondContact O-NH1 2.97Å; P51-R68 WeakPolarHBondContact CA-O 3.01Å; P51-R68 HydrophobicContact CB-CB 3.99Å; V52-R68 PolarHBondContact N-O 3.32Å; R68-I154 HydrophobicContact CB-CG2 4.28Å; R68-G155 CarbonylContact C-O 3.53Å; R68-G155 WeakPolarHBondContact CA-O 3.46Å; R68-V156 HydrophobicContact CG-CG2 4.17Å; R68-D199 IonicContact CZ-OD2 3.89Å; R68-D199 IonicContact NE-OD2 3.29Å; R68-D199 IonicContact NH2-OD2 2.8Å; R68-D199 PolarHBondContact NH2-OD2 3.45Å
69	I	96.1	Very high	94.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.6	179.7	-53.4	-60.8	0	0	0	108.7	V52 L54 L61 M64 V71 I154 G155 N157 L196	V52-I69 HydrophobicContact CG2-CD1 3.58Å; V52-I69 CarbonylContact O-C 3.58Å; V52-I69 WeakPolarHBondContact O-CA 3.31Å; L54-I69 HydrophobicContact CB-CG2 3.92Å; L54-I69 HydrophobicContact CD1-CG2 3.86Å; L61-I69 HydrophobicContact CD2-CD1 4.13Å; L61-I69 HydrophobicContact CD2-CG1 4.25Å; M64-I69 HydrophobicContact CE-CD1 3.72Å; I69-V71 HydrophobicContact CG2-CG1 4.26Å; I69-I154 WeakPolarHBondContact O-CA 3.44Å; I69-G155 PolarHBondContact N-O 3.35Å; I69-G155 PolarHBondContact O-N 2.72Å; I69-N157 HydrophobicContact CG1-CB 4Å; I69-L196 HydrophobicContact CB-CD1 4.16Å; I69-L196 HydrophobicContact CB-CD2 4.02Å; I69-L196 HydrophobicContact CG1-CD2 4.06Å; I69-L196 HydrophobicContact CG2-CD1 4.23Å
70	R	97	Very high	94.8	Very high	67 Å²	67	55.6 Å²	55.6	25%	0.253	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.4	170.9	-176.4	-169.3	-69.7	110.7	-0.5	110	P51 V52 D53 L54 H72 E152	P51-R70 HydrophobicContact CB-CB 4.49Å; V52-R70 PolarHBondContact O-N 3.24Å; D53-R70 IonicContact OD1-CZ 3.47Å; D53-R70 IonicContact OD1-NH1 3.83Å; D53-R70 PolarHBondContact OD1-NH1 3.32Å; L54-R70 PolarHBondContact N-O 2.86Å; R70-H72 WeakPolarHBondContact CD-NE2 3.37Å; R70-E152 WeakPolarHBondContact CD-OE2 3.22Å; R70-E152 HydrophobicContact CG-CG 4Å; R70-E152 IonicContact NE-OE2 2.86Å; R70-E152 PolarHBondContact NE-OE2 3.3Å
71	V	97.2	Very high	94.9	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	148.8	173.1	-67.4	0	0	0	0	110.9	L54 I69 F116 I125 I127 E152 V153 L196	L54-V71 HydrophobicContact CB-CG1 3.84Å; L54-V71 HydrophobicContact CD1-CG1 4.35Å; L54-V71 HydrophobicContact CD2-CG1 4.06Å; L54-V71 HydrophobicContact CG-CG1 4.32Å; I69-V71 HydrophobicContact CG2-CG1 4.26Å; V71-F116 HydrophobicContact CB-CE1 3.99Å; V71-F116 HydrophobicContact CG2-CD1 4.17Å; V71-F116 HydrophobicContact CG2-CE1 3.71Å; V71-F116 HydrophobicContact CG2-CZ 4.29Å; V71-I125 HydrophobicContact CG1-CD1 3.94Å; V71-I125 HydrophobicContact CG2-CD1 4.4Å; V71-I127 HydrophobicContact CG2-CD1 3.84Å; V71-E152 WeakPolarHBondContact O-CA 3.47Å; V71-V153 HydrophobicContact CG2-CB 3.98Å; V71-V153 WeakPolarHBondContact CG2-O 3.44Å; V71-V153 PolarHBondContact N-O 2.66Å; V71-V153 PolarHBondContact O-N 3.38Å; V71-L196 HydrophobicContact CG1-CD1 3.98Å; V71-L196 HydrophobicContact CG2-CD1 4.16Å
72	H	97.3	Very high	94.9	Very high	73 Å²	73	50.8 Å²	50.8	34%	0.338	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144.8	173.3	-60.8	-90.2	0	0	0	109.5	R70 K119 V151 E152	R70-H72 WeakPolarHBondContact CD-NE2 3.37Å; H72-K119 HydrophobicContact CB-CB 4.44Å; H72-K119 WeakPolarHBondContact O-CB 3.33Å; H72-K119 PolarHBondContact O-N 3.2Å; H72-V151 WeakPolarHBondContact CA-O 3.33Å; H72-E152 VanDerWaalsContact CE1-CG 3.45Å; H72-E152 WeakPolarHBondContact CE1-CG 3.45Å; H72-E152 IonicContact CE1-OE2 2.83Å; H72-E152 PolarHBondContact CE1-OE2 3.21Å; H72-E152 IonicContact NE2-OE2 3.89Å
73	G	97.3	Very high	95.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.7	-155.4	-175.2	0	0	0	0	0	114.3	R117 E150 V151	G73-R117 WeakPolarHBondContact CA-O 3.36Å; G73-E150 CarbonylContact O-C 3.56Å; G73-E150 WeakPolarHBondContact O-CA 3.49Å; G73-V151 PolarHBondContact N-O 3.03Å; G73-V151 VanDerWaalsContact N-O 3.1Å; G73-V151 PolarHBondContact O-N 3.37Å
74	Y	97	Very high	95.1	Very high	99 Å²	99	43 Å²	43	39%	0.388	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.2	-170	-55.6	-100.4	0	0	0	109.8	F116 R117 G149 E150	Y74-F116 CarbonylContact O-C 3.51Å; Y74-F116 WeakPolarHBondContact O-CA 3.43Å; Y74-F116 WeakPolarHBondContact O-CD2 3.41Å; Y74-R117 PolarHBondContact N-O 3.22Å; Y74-R117 VanDerWaalsContact N-O 3.12Å; Y74-R117 PolarHBondContact O-N 2.84Å; Y74-G149 VanDerWaalsContact CD1-O 3.24Å; Y74-G149 WeakPolarHBondContact CD1-O 3.43Å; Y74-G149 VanDerWaalsContact CE1-C 3.43Å; Y74-E150 HydrophobicContact CD1-CB 4.47Å; Y74-E150 HydrophobicContact CE1-CB 3.77Å; Y74-E150 HydrophobicContact CE2-CB 4.2Å; Y74-E150 HydrophobicContact CE2-CG 4.05Å; Y74-E150 PolarHBondContact OH-OE2 3.09Å
75	F	97.1	Very high	95	Very high	24 Å²	24	48.7 Å²	48.7	11%	0.105	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.6	174.3	-76.1	-75.3	0	0	0	111.2	H77 T114 F116 I127 R129 L147 V151 V153	F75-H77 WeakPolarHBondContact CB-CE1 3.46Å; F75-H77 AromaticContact CG-CE1 3.77Å; F75-H77 PolarHBondContact O-N 3.42Å; F75-T114 HydrophobicContact CB-CG2 4.16Å; F75-T114 HydrophobicContact CD1-CG2 3.87Å; F75-T114 HydrophobicContact CG-CG2 4.47Å; F75-F116 HydrophobicContact CD1-CB 4.37Å; F75-F116 AromaticContact CD1-CD2 3.65Å; F75-F116 HydrophobicContact CD1-CD2 3.65Å; F75-F116 HydrophobicContact CD1-CE2 4.48Å; F75-F116 HydrophobicContact CD2-CD2 4.05Å; F75-F116 HydrophobicContact CD2-CE2 4.12Å; F75-F116 HydrophobicContact CE1-CB 4.48Å; F75-F116 AromaticContact CE1-CD2 3.72Å; F75-F116 HydrophobicContact CE1-CD2 3.72Å; F75-F116 HydrophobicContact CE1-CE2 4.42Å; F75-F116 HydrophobicContact CE2-CD2 4.11Å; F75-F116 HydrophobicContact CE2-CE2 4.04Å; F75-F116 AromaticContact CG-CD2 3.83Å; F75-F116 HydrophobicContact CG-CD2 3.83Å; F75-F116 HydrophobicContact CG-CE2 4.34Å; F75-F116 AromaticContact CZ-CD2 3.96Å; F75-F116 HydrophobicContact CZ-CD2 3.96Å; F75-F116 HydrophobicContact CZ-CE2 4.2Å; F75-I127 HydrophobicContact CE1-CB 3.93Å; F75-I127 HydrophobicContact CE1-CD1 4.22Å; F75-I127 HydrophobicContact CE1-CG2 3.94Å; F75-I127 HydrophobicContact CZ-CD1 4.4Å; F75-I127 HydrophobicContact CZ-CG2 4.17Å; F75-R129 HydrophobicContact CD1-CG 4.42Å; F75-R129 HydrophobicContact CE1-CG 3.67Å; F75-R129 HydrophobicContact CZ-CG 3.9Å; F75-L147 HydrophobicContact CE2-CD1 4.35Å; F75-V151 HydrophobicContact CD2-CG2 3.81Å; F75-V151 HydrophobicContact CE2-CG2 3.65Å; F75-V153 HydrophobicContact CE2-CG2 3.88Å; F75-V153 HydrophobicContact CZ-CG2 3.69Å
76	D	96	Very high	95	Very high	45 Å²	45	48.5 Å²	48.5	24%	0.241	22%	0.224	C	C	.	.			trans	-92	81.4	171.5	-61.1	-23.4	0	0	0	108.5	E78 D79 T114 P115 K124	D76-E78 PolarHBondContact O-N 2.99Å; D76-D79 PolarHBondContact O-N 3.14Å; D76-T114 WeakPolarHBondContact O-CG2 3.44Å; D76-P115 HydrophobicContact CB-CB 4.3Å; D76-P115 PolarHBondContact N-O 2.78Å; D76-K124 WeakPolarHBondContact OD2-CD 3.25Å; D76-K124 IonicContact OD2-NZ 3.34Å
77	H	94.8	Very high	94.8	Very high	40 Å²	40	49.7 Å²	49.7	19%	0.185	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-66.6	-16.6	-172.5	-61.3	-57.4	0	0	0	114.7	F75 D79 R129 Q146 L147	F75-H77 WeakPolarHBondContact CB-CE1 3.46Å; F75-H77 AromaticContact CG-CE1 3.77Å; F75-H77 PolarHBondContact O-N 3.42Å; H77-D79 PolarHBondContact O-N 2.84Å; H77-R129 PolarHBondContact CE1-NH1 3.39Å; H77-R129 PolarHBondContact ND1-NH1 2.86Å; H77-R129 VanDerWaalsContact ND1-NH1 3.17Å; H77-R129 PolarHBondContact ND1-NH2 2.98Å; H77-Q146 PolarHBondContact CE1-OE1 3.32Å; H77-Q146 PolarHBondContact ND1-OE1 3.05Å; H77-L147 PolarHBondContact NE2-N 3.43Å; H77-L147 PolarHBondContact NE2-O 3.15Å
78	E	93.3	Very high	94.7	Very high	192 Å²	192	49 Å²	49	90%	0.897	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-68	-27.1	176.4	-60.6	-171.8	157.1	0	0	112.3	D76	D76-E78 PolarHBondContact O-N 2.99Å
79	D	93.9	Very high	94.3	Very high	50 Å²	50	51 Å²	51	27%	0.267	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-105.2	29.4	-172.8	-74	-24.9	0	0	0	112.1	D76 H77 P115 H189	D76-D79 PolarHBondContact O-N 3.14Å; H77-D79 PolarHBondContact O-N 2.84Å; D79-P115 HydrophobicContact CB-CG 3.76Å; D79-P115 WeakPolarHBondContact O-CD 3.32Å; D79-P115 WeakPolarHBondContact O-CG 3.35Å; D79-H189 HydrophobicContact CB-CB 4.44Å; D79-H189 VanDerWaalsContact CG-CE1 3.41Å; D79-H189 PolarHBondContact O-CD2 3.29Å; D79-H189 PolarHBondContact O-NE2 2.97Å; D79-H189 IonicContact OD1-CE1 3.67Å; D79-H189 PolarHBondContact OD1-CE1 3.23Å; D79-H189 IonicContact OD1-ND1 2.84Å; D79-H189 PolarHBondContact OD1-ND1 2.85Å; D79-H189 IonicContact OD2-CG 3.17Å; D79-H189 IonicContact OD2-ND1 3.62Å; D79-H189 PolarHBondContact OD2-ND1 2.83Å
80	E	94.9	Very high	93.6	Very high	16 Å²	16	52.3 Å²	52.3	8%	0.075	25%	0.247	C	C	.	.			trans	-73.7	140.8	-177.6	66.3	169	-130.7	0	0	113.8	V112 V113 T114 R129 P139 R142 Q146 N175	E80-V112 HydrophobicContact CB-CG1 4.46Å; E80-V113 CarbonylContact C-O 3.58Å; E80-V113 WeakPolarHBondContact CA-O 3.48Å; E80-T114 HydrophobicContact CB-CG2 4.5Å; E80-R129 IonicContact OE2-NH2 2.94Å; E80-R129 PolarHBondContact OE2-NH2 3.11Å; E80-P139 HydrophobicContact CG-CG 4.4Å; E80-P139 VanDerWaalsContact OE1-CD 3.31Å; E80-P139 WeakPolarHBondContact OE1-CD 3.42Å; E80-P139 WeakPolarHBondContact OE1-CG 3.16Å; E80-R142 IonicContact OE1-CZ 3.89Å; E80-R142 IonicContact OE1-NH2 2.68Å; E80-R142 PolarHBondContact OE1-NH2 2.67Å; E80-R142 IonicContact OE2-CZ 3.56Å; E80-R142 IonicContact OE2-NH1 3.62Å; E80-R142 IonicContact OE2-NH2 2.69Å; E80-R142 PolarHBondContact OE2-NH2 3.14Å; E80-Q146 PolarHBondContact OE2-NE2 2.96Å; E80-N175 PolarHBondContact O-ND2 2.73Å; E80-N175 VanDerWaalsContact O-ND2 3.15Å
81	F	96.4	Very high	92.6	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	145.9	171.1	-50.4	-85.3	0	0	0	110.6	V113 P115 L126 N175 W177 M185 L188 H189	F81-V113 HydrophobicContact CB-CB 4.14Å; F81-V113 HydrophobicContact CD2-CB 4.3Å; F81-V113 HydrophobicContact CD2-CG1 4.33Å; F81-V113 PolarHBondContact N-O 3.47Å; F81-V113 PolarHBondContact O-N 3.1Å; F81-P115 HydrophobicContact CE2-CG 4.3Å; F81-L126 HydrophobicContact CD2-CD2 4.22Å; F81-L126 HydrophobicContact CE2-CD2 3.62Å; F81-N175 VanDerWaalsContact CD1-OD1 3.25Å; F81-N175 WeakPolarHBondContact CD1-OD1 3.31Å; F81-W177 AromaticContact CD1-CD1 3.99Å; F81-W177 HydrophobicContact CD1-CD2 4.47Å; F81-W177 AromaticContact CD1-CE2 3.58Å; F81-W177 AromaticContact CD1-CZ2 3.83Å; F81-W177 HydrophobicContact CD1-CZ2 3.83Å; F81-W177 AromaticContact CD1-NE1 3.27Å; F81-W177 VanDerWaalsContact CD1-NE1 3.27Å; F81-W177 AromaticContact CE1-CE2 3.84Å; F81-W177 HydrophobicContact CE1-CH2 4.45Å; F81-W177 AromaticContact CE1-CZ2 3.56Å; F81-W177 HydrophobicContact CE1-CZ2 3.56Å; F81-W177 AromaticContact CE1-NE1 3.9Å; F81-M185 HydrophobicContact CB-CE 4.45Å; F81-M185 HydrophobicContact CD1-CG 4.23Å; F81-M185 HydrophobicContact CD2-CB 4.48Å; F81-M185 HydrophobicContact CD2-CG 4.37Å; F81-M185 HydrophobicContact CD2-SD 4.42Å; F81-M185 HydrophobicContact CE1-CB 4.2Å; F81-M185 HydrophobicContact CE1-CG 4.08Å; F81-M185 HydrophobicContact CE2-CB 3.92Å; F81-M185 HydrophobicContact CE2-CG 4.25Å; F81-M185 HydrophobicContact CG-CG 4.32Å; F81-M185 HydrophobicContact CG-SD 4.44Å; F81-M185 HydrophobicContact CZ-CB 3.72Å; F81-M185 HydrophobicContact CZ-CG 4.05Å; F81-M185 WeakPolarHBondContact CZ-O 3.28Å; F81-L188 HydrophobicContact CE1-CB 4.38Å; F81-L188 HydrophobicContact CE1-CD2 3.68Å; F81-L188 HydrophobicContact CZ-CB 4.36Å; F81-L188 HydrophobicContact CZ-CD2 4.36Å; F81-H189 AromaticContact CE1-CD2 3.71Å; F81-H189 AromaticContact CE1-NE2 3.83Å; F81-H189 AromaticContact CE2-CD2 3.53Å; F81-H189 AromaticContact CZ-CD2 3.09Å; F81-H189 WeakPolarHBondContact CZ-CD2 3.42Å; F81-H189 AromaticContact CZ-NE2 3.71Å
82	V	95.5	Very high	91.6	Very high	28 Å²	28	59.8 Å²	59.8	17%	0.17	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.7	174	179.1	0	0	0	0	109.2	A110 I137	V82-A110 HydrophobicContact CG1-CB 3.56Å; V82-I137 HydrophobicContact CB-CG2 4.48Å; V82-I137 HydrophobicContact CG1-CG2 3.8Å; V82-I137 HydrophobicContact CG2-CG2 4.06Å
83	I	95.3	Very high	90.7	Very high	2 Å²	2	57 Å²	57	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	99.7	171.5	-47.1	178.8	0	0	0	107.8	R86 A110 N111 V113 W177 M185	I83-R86 HydrophobicContact CG2-CG 4.47Å; I83-R86 VanDerWaalsContact O-CG 3.28Å; I83-R86 WeakPolarHBondContact O-CG 3.06Å; I83-A110 CarbonylContact O-C 3.57Å; I83-A110 VanDerWaalsContact O-CA 3.28Å; I83-A110 WeakPolarHBondContact O-CA 3.26Å; I83-N111 HydrophobicContact CB-CB 4.38Å; I83-N111 PolarHBondContact N-O 3.15Å; I83-N111 PolarHBondContact O-N 2.83Å; I83-V113 HydrophobicContact CD1-CG2 3.9Å; I83-V113 HydrophobicContact CG1-CG2 4.25Å; I83-W177 WeakPolarHBondContact CA-O 3.22Å; I83-W177 HydrophobicContact CG1-CB 4.13Å; I83-W177 WeakPolarHBondContact CG2-O 3.46Å; I83-M185 HydrophobicContact CD1-CE 3.83Å; I83-M185 HydrophobicContact CG1-CE 3.97Å
84	P	93.1	Very high	89.5	Confident	39 Å²	39	59.7 Å²	59.7	25%	0.253	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	179.3	-173.8	34.5	-31	0	0	0	111.9	R86 G109 A110 W177	P84-R86 VanDerWaalsContact C-N 3.27Å; P84-R86 PolarHBondContact O-N 2.81Å; P84-G109 CarbonylContact C-O 3.56Å; P84-A110 HydrophobicContact CB-CB 4.49Å; P84-W177 WeakPolarHBondContact CD-O 3.09Å
85	M	89.7	Confident	88.3	Confident	146 Å²	146	62.7 Å²	62.7	72%	0.719	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	59.1	35.2	176.5	-56.9	-178.3	172.2	0	0	113.5	V108 G109	M85-V108 HydrophobicContact CB-CG1 4.47Å; M85-G109 PolarHBondContact N-O 2.96Å
86	R	91.6	Very high	86.9	Confident	58 Å²	58	70.6 Å²	70.6	22%	0.219	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.4	177.3	-60.8	-58.2	178.6	-179.1	-2.3	110.5	I83 P84 V108 G109 N111 W131 F178	I83-R86 HydrophobicContact CG2-CG 4.47Å; I83-R86 VanDerWaalsContact O-CG 3.28Å; I83-R86 WeakPolarHBondContact O-CG 3.06Å; P84-R86 VanDerWaalsContact C-N 3.27Å; P84-R86 PolarHBondContact O-N 2.81Å; R86-V108 WeakPolarHBondContact O-CA 3.42Å; R86-G109 PolarHBondContact N-O 3.36Å; R86-G109 PolarHBondContact O-N 3.3Å; R86-N111 HydrophobicContact CG-CB 4.27Å; R86-W131 PolarHBondContact O-NE1 3Å; R86-F178 PolarHBondContact NH2-O 3.2Å
87	A	89.1	Confident	85.3	Confident	44 Å²	44	73.9 Å²	73.9	36%	0.364	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	137.6	174.1	0	0	0	0	0	110.5	P107	A87-P107 CarbonylContact C-O 3.55Å; A87-P107 VanDerWaalsContact CA-O 3.24Å; A87-P107 WeakPolarHBondContact CA-O 3.5Å
88	R	90.3	Very high	83.4	Confident	58 Å²	58	77.8 Å²	77.8	22%	0.219	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-70.9	131.9	169.4	-174.1	176.1	177.7	-178.2	-2.1	110.4	D90 F93 R97 P107 W131	R88-D90 WeakPolarHBondContact CD-OD1 3.15Å; R88-D90 WeakPolarHBondContact CG-OD1 3.45Å; R88-D90 IonicContact CZ-OD1 3.21Å; R88-D90 IonicContact CZ-OD2 3.12Å; R88-D90 IonicContact NE-OD1 3.51Å; R88-D90 PolarHBondContact NE-OD1 2.72Å; R88-D90 IonicContact NE-OD2 3.99Å; R88-D90 IonicContact NH2-OD1 3.91Å; R88-D90 PolarHBondContact NH2-OD1 3.15Å; R88-D90 IonicContact NH2-OD2 3.5Å; R88-D90 PolarHBondContact NH2-OD2 3.04Å; R88-F93 HydrophobicContact CB-CD1 3.72Å; R88-F93 HydrophobicContact CB-CE1 3.8Å; R88-F93 HydrophobicContact CG-CB 4.19Å; R88-F93 HydrophobicContact CG-CD1 3.64Å; R88-F93 HydrophobicContact CG-CE1 4.17Å; R88-F93 HydrophobicContact CG-CG 3.98Å; R88-R97 PolarHBondContact O-NH2 2.96Å; R88-R97 VanDerWaalsContact O-NH2 3.09Å; R88-P107 PolarHBondContact N-O 2.99Å; R88-W131 HydrophobicContact CB-CD2 3.97Å; R88-W131 HydrophobicContact CB-CE3 4.37Å; R88-W131 HydrophobicContact CB-CG 4.42Å; R88-W131 HydrophobicContact CB-CH2 4.33Å; R88-W131 HydrophobicContact CB-CZ2 3.94Å; R88-W131 HydrophobicContact CG-CD2 4.17Å; R88-W131 HydrophobicContact CG-CE3 4.15Å; R88-W131 HydrophobicContact CG-CZ3 4.36Å
89	R	86.3	Confident	81.5	Confident	87 Å²	87	77.5 Å²	77.5	33%	0.328	37%	0.374	S	S	.	.			trans	-132.9	3.2	-168.2	-64.8	174	-165.2	-121	11.2	114.9	S94 N214	R89-S94 PolarHBondContact O-OG 2.89Å; R89-N214 VanDerWaalsContact CZ-CG 3.47Å; R89-N214 PolarHBondContact NH1-ND2 2.79Å; R89-N214 PolarHBondContact NH1-OD1 2.96Å; R89-N214 PolarHBondContact NH2-ND2 3.2Å
90	D	82.6	Confident	79.5	Confident	27 Å²	27	82.6 Å²	82.6	14%	0.144	39%	0.394	C	S	.	.			trans	-58.3	148.7	174.8	57.3	-74.4	0	0	0	110.8	R88 A92 F93 S94	R88-D90 WeakPolarHBondContact CD-OD1 3.15Å; R88-D90 WeakPolarHBondContact CG-OD1 3.45Å; R88-D90 IonicContact CZ-OD1 3.21Å; R88-D90 IonicContact CZ-OD2 3.12Å; R88-D90 IonicContact NE-OD1 3.51Å; R88-D90 PolarHBondContact NE-OD1 2.72Å; R88-D90 IonicContact NE-OD2 3.99Å; R88-D90 IonicContact NH2-OD1 3.91Å; R88-D90 PolarHBondContact NH2-OD1 3.15Å; R88-D90 IonicContact NH2-OD2 3.5Å; R88-D90 PolarHBondContact NH2-OD2 3.04Å; D90-A92 VanDerWaalsContact C-N 3.26Å; D90-A92 PolarHBondContact O-N 3.32Å; D90-F93 PolarHBondContact O-N 3.44Å; D90-F93 WeakPolarHBondContact OD1-CB 3.46Å; D90-F93 WeakPolarHBondContact OD2-CB 3.42Å; D90-F93 PolarHBondContact OD2-N 2.86Å; D90-S94 WeakPolarHBondContact O-CB 3.44Å; D90-S94 PolarHBondContact O-N 3.16Å; D90-S94 PolarHBondContact O-OG 2.86Å
91	K	76	Confident	77.4	Confident	173 Å²	173	90.5 Å²	90.5	75%	0.752	43%	0.433	S	S	*	.	H	α-helix	trans	-58	-41.1	-174.9	-70	179.8	179	177.3	0	111.5	S94 Q95	K91-S94 PolarHBondContact O-N 2.97Å; K91-Q95 WeakPolarHBondContact O-CB 3.3Å; K91-Q95 VanDerWaalsContact O-CG 3.29Å; K91-Q95 WeakPolarHBondContact O-CG 3.39Å; K91-Q95 PolarHBondContact O-N 2.78Å
92	A	75.9	Confident	75.1	Confident	54 Å²	54	99.5 Å²	99.5	45%	0.446	47%	0.472	S	S	.	.	H	α-helix	trans	-62	-46	-179.8	0	0	0	0	0	111.8	D90 R96	D90-A92 VanDerWaalsContact C-N 3.26Å; D90-A92 PolarHBondContact O-N 3.32Å; A92-R96 WeakPolarHBondContact O-CG 3.42Å; A92-R96 PolarHBondContact O-N 3.21Å
93	F	78.2	Confident	73	Confident	14 Å²	14	102.2 Å²	102.2	6%	0.061	49%	0.486	C	S	.	.	H	α-helix	trans	-67.7	-43.5	175.2	-174.3	-114.3	0	0	0	112.7	R88 D90 Q95 R96 R97 S105 P107	R88-F93 HydrophobicContact CB-CD1 3.72Å; R88-F93 HydrophobicContact CB-CE1 3.8Å; R88-F93 HydrophobicContact CG-CB 4.19Å; R88-F93 HydrophobicContact CG-CD1 3.64Å; R88-F93 HydrophobicContact CG-CE1 4.17Å; R88-F93 HydrophobicContact CG-CG 3.98Å; D90-F93 PolarHBondContact O-N 3.44Å; D90-F93 WeakPolarHBondContact OD1-CB 3.46Å; D90-F93 WeakPolarHBondContact OD2-CB 3.42Å; D90-F93 PolarHBondContact OD2-N 2.86Å; F93-Q95 VanDerWaalsContact C-N 3.28Å; F93-Q95 PolarHBondContact O-N 3.39Å; F93-R96 PolarHBondContact O-N 3.5Å; F93-R97 VanDerWaalsContact CE1-NH2 3.28Å; F93-R97 PolarHBondContact O-N 3.39Å; F93-S105 WeakPolarHBondContact CE2-OG 3.19Å; F93-P107 HydrophobicContact CE1-CB 3.68Å; F93-P107 HydrophobicContact CZ-CB 3.76Å
94	S	73.4	Confident	70.8	Confident	57 Å²	57	111.6 Å²	111.6	40%	0.399	53%	0.53	S	S	.	.	H	α-helix	trans	-63.8	-33	-177.7	-58.7	0	0	0	0	112.8	R89 D90 K91	R89-S94 PolarHBondContact O-OG 2.89Å; D90-S94 WeakPolarHBondContact O-CB 3.44Å; D90-S94 PolarHBondContact O-N 3.16Å; D90-S94 PolarHBondContact O-OG 2.86Å; K91-S94 PolarHBondContact O-N 2.97Å
95	Q	70.3	Confident	69.3	Low	162 Å²	162	111.9 Å²	111.9	76%	0.757	53%	0.533	S	S	*	.	H	α-helix	trans	-77.2	-33.2	175.8	-72.6	175.5	-6.1	0	0	113.3	K91 F93 R97	K91-Q95 WeakPolarHBondContact O-CB 3.3Å; K91-Q95 VanDerWaalsContact O-CG 3.29Å; K91-Q95 WeakPolarHBondContact O-CG 3.39Å; K91-Q95 PolarHBondContact O-N 2.78Å; F93-Q95 VanDerWaalsContact C-N 3.28Å; F93-Q95 PolarHBondContact O-N 3.39Å; Q95-R97 VanDerWaalsContact C-N 3.34Å
96	R	67.7	Low	68.3	Low	190 Å²	190	107.8 Å²	107.8	72%	0.717	52%	0.518	S	S	*	.	H	α-helix	trans	-82.3	-11.9	179.3	-72.6	-178	-173.2	-177.6	2.9	114	A92 F93 N98	A92-R96 WeakPolarHBondContact O-CG 3.42Å; A92-R96 PolarHBondContact O-N 3.21Å; F93-R96 PolarHBondContact O-N 3.5Å; R96-N98 PolarHBondContact O-N 3.11Å
97	R	63.3	Low	67.8	Low	114 Å²	114	107.5 Å²	107.5	43%	0.43	52%	0.524	S	S	.	.			trans	-63.6	84.4	179.2	-169.7	-176	-69.7	159.5	2.4	109.6	R88 F93 Q95	R88-R97 PolarHBondContact O-NH2 2.96Å; R88-R97 VanDerWaalsContact O-NH2 3.09Å; F93-R97 VanDerWaalsContact CE1-NH2 3.28Å; F93-R97 PolarHBondContact O-N 3.39Å; Q95-R97 VanDerWaalsContact C-N 3.34Å
98	N	53.8	Low	67.7	Low	122 Å²	122	108.3 Å²	108.3	65%	0.652	52%	0.524	S	S	*	.			trans	-61.5	135.8	162.6	-74.2	-20.5	0	0	0	106.6	R96 F100	R96-N98 PolarHBondContact O-N 3.11Å; N98-F100 HydrophobicContact CB-CD2 4.3Å; N98-F100 PolarHBondContact O-N 2.92Å
99	H	54.2	Low	67.8	Low	186 Å²	186	105.5 Å²	105.5	86%	0.861	51%	0.514	S	S	*	.	S	Bend	trans	-65.4	4.3	-179.2	-133	63.6	0	0	0	113.6
100	F	51.8	Low	68.2	Low	157 Å²	157	101.4 Å²	101.4	69%	0.689	50%	0.498	S	S	*	.	S	Bend	trans	-89.1	122.4	178.8	-64.3	-74.3	0	0	0	109.4	N98 F102	N98-F100 HydrophobicContact CB-CD2 4.3Å; N98-F100 PolarHBondContact O-N 2.92Å; F100-F102 PolarHBondContact O-N 3.3Å
101	M	51.1	Low	68.9	Low	183 Å²	183	101 Å²	101	90%	0.901	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	13.1	-175.6	-70.6	-92.1	-81	0	0	115.8
102	F	47.8	Very low	69.8	Low	188 Å²	188	92.7 Å²	92.7	83%	0.825	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	12.5	-169.8	-60.7	-70.7	0	0	0	114.3	F100 E104	F100-F102 PolarHBondContact O-N 3.3Å; F102-E104 PolarHBondContact O-N 3.43Å
103	D	50.9	Low	70.9	Confident	85 Å²	85	90.1 Å²	90.1	46%	0.455	44%	0.439	S	S	.	.			trans	-75	117	167.6	-170.6	-13	0	0	0	109.1	S105	D103-S105 PolarHBondContact O-N 3.38Å; D103-S105 VanDerWaalsContact O-N 3.08Å; D103-S105 PolarHBondContact OD1-N 2.8Å; D103-S105 VanDerWaalsContact OD1-N 3.08Å; D103-S105 PolarHBondContact OD1-OG 3.36Å; D103-S105 PolarHBondContact OD2-OG 2.78Å
104	E	50.5	Low	71.8	Confident	200 Å²	200	89.5 Å²	89.5	94%	0.935	44%	0.436	S	S	*	.	S	Bend	trans	-61.8	-13.2	179.3	-70.9	-155.2	152.7	0	0	113.5	F102 S106	F102-E104 PolarHBondContact O-N 3.43Å; E104-S106 PolarHBondContact O-N 2.87Å
105	S	61.7	Low	72.9	Confident	45 Å²	45	86.8 Å²	86.8	32%	0.315	42%	0.417	S	S	.	.	S	Bend	trans	-83.5	94.3	172.3	61.4	0	0	0	0	111.1	F93 D103 P107	F93-S105 WeakPolarHBondContact CE2-OG 3.19Å; D103-S105 PolarHBondContact O-N 3.38Å; D103-S105 VanDerWaalsContact O-N 3.08Å; D103-S105 PolarHBondContact OD1-N 2.8Å; D103-S105 VanDerWaalsContact OD1-N 3.08Å; D103-S105 PolarHBondContact OD1-OG 3.36Å; D103-S105 PolarHBondContact OD2-OG 2.78Å; S105-P107 WeakPolarHBondContact O-CD 3.14Å; S105-P107 VanDerWaalsContact O-N 3.1Å
106	S	67.3	Low	74.3	Confident	59 Å²	59	79 Å²	79	41%	0.413	38%	0.381	S	S	.	.			trans	-47.6	121.3	171.5	168.3	0	0	0	0	109.7	E104 V108	E104-S106 PolarHBondContact O-N 2.87Å; S106-V108 PolarHBondContact O-N 3.45Å; S106-V108 VanDerWaalsContact O-N 3.13Å; S106-V108 PolarHBondContact OG-N 3.42Å; S106-V108 PolarHBondContact OG-O 3.13Å
107	P	81.2	Confident	75.7	Confident	53 Å²	53	76.5 Å²	76.5	34%	0.344	37%	0.371	S	S	.	.	S	Bend	trans	-68.7	-11.7	178.2	29.1	-34.6	0	0	0	111.4	A87 R88 F93 S105	A87-P107 CarbonylContact C-O 3.55Å; A87-P107 VanDerWaalsContact CA-O 3.24Å; A87-P107 WeakPolarHBondContact CA-O 3.5Å; R88-P107 PolarHBondContact N-O 2.99Å; F93-P107 HydrophobicContact CE1-CB 3.68Å; F93-P107 HydrophobicContact CZ-CB 3.76Å; S105-P107 WeakPolarHBondContact O-CD 3.14Å; S105-P107 VanDerWaalsContact O-N 3.1Å
108	V	88.3	Confident	77.3	Confident	60 Å²	60	71.5 Å²	71.5	36%	0.364	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.6	-179.1	-174.2	0	0	0	0	109.7	M85 R86 S106	M85-V108 HydrophobicContact CB-CG1 4.47Å; R86-V108 WeakPolarHBondContact O-CA 3.42Å; S106-V108 PolarHBondContact O-N 3.45Å; S106-V108 VanDerWaalsContact O-N 3.13Å; S106-V108 PolarHBondContact OG-N 3.42Å; S106-V108 PolarHBondContact OG-O 3.13Å
109	G	92.7	Very high	79.3	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	-144.6	177.4	0	0	0	0	0	110	P84 M85 R86 V132 N134	P84-G109 CarbonylContact C-O 3.56Å; M85-G109 PolarHBondContact N-O 2.96Å; R86-G109 PolarHBondContact N-O 3.36Å; R86-G109 PolarHBondContact O-N 3.3Å; G109-V132 CarbonylContact C-O 3.55Å; G109-V132 VanDerWaalsContact CA-O 3.25Å; G109-V132 WeakPolarHBondContact CA-O 3.2Å; G109-N134 WeakPolarHBondContact CA-OD1 3.14Å
110	A	94.4	Very high	81.1	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	153.9	178.6	0	0	0	0	0	111.6	V82 I83 P84 W131 V132 I137	V82-A110 HydrophobicContact CG1-CB 3.56Å; I83-A110 CarbonylContact O-C 3.57Å; I83-A110 VanDerWaalsContact O-CA 3.28Å; I83-A110 WeakPolarHBondContact O-CA 3.26Å; P84-A110 HydrophobicContact CB-CB 4.49Å; A110-W131 CarbonylContact O-C 3.5Å; A110-W131 VanDerWaalsContact O-CA 3.3Å; A110-W131 WeakPolarHBondContact O-CA 3.4Å; A110-V132 HydrophobicContact CB-CG2 4.28Å; A110-V132 PolarHBondContact N-O 2.82Å; A110-V132 PolarHBondContact O-N 3.26Å; A110-I137 HydrophobicContact CB-CD1 3.89Å; A110-I137 HydrophobicContact CB-CG1 3.82Å
111	N	95.9	Very high	83.1	Confident	18 Å²	18	65.3 Å²	65.3	10%	0.096	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	139.1	164.6	-73.3	-2.2	0	0	0	109.6	I83 R86 N128 G130	I83-N111 HydrophobicContact CB-CB 4.38Å; I83-N111 PolarHBondContact N-O 3.15Å; I83-N111 PolarHBondContact O-N 2.83Å; R86-N111 HydrophobicContact CG-CB 4.27Å; N111-N128 PolarHBondContact ND2-ND2 2.94Å; N111-N128 VanDerWaalsContact ND2-ND2 3.15Å; N111-G130 CarbonylContact C-O 3.46Å; N111-G130 VanDerWaalsContact CA-O 3.27Å; N111-G130 WeakPolarHBondContact CA-O 3.49Å
112	V	96.5	Very high	85.1	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.2	175.4	-179.8	0	0	0	0	108.6	E80 N128 R129 G130 V132 P208	E80-V112 HydrophobicContact CB-CG1 4.46Å; V112-N128 CarbonylContact O-C 3.49Å; V112-N128 WeakPolarHBondContact O-CA 3.33Å; V112-N128 PolarHBondContact O-OD1 3.35Å; V112-R129 PolarHBondContact O-N 2.8Å; V112-G130 PolarHBondContact N-O 2.86Å; V112-V132 HydrophobicContact CG2-CG1 3.98Å; V112-V132 HydrophobicContact CG2-CG2 3.75Å; V112-P208 HydrophobicContact CB-CB 4.39Å; V112-P208 HydrophobicContact CB-CG 3.94Å; V112-P208 HydrophobicContact CG1-CG 4.36Å; V112-P208 HydrophobicContact CG2-CG 4.05Å
113	V	97.5	Very high	87.4	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.6	174.7	-171.8	0	0	0	0	108	E80 F81 I83 L126 I127 N128 Y195	E80-V113 CarbonylContact C-O 3.58Å; E80-V113 WeakPolarHBondContact CA-O 3.48Å; F81-V113 HydrophobicContact CB-CB 4.14Å; F81-V113 HydrophobicContact CD2-CB 4.3Å; F81-V113 HydrophobicContact CD2-CG1 4.33Å; F81-V113 PolarHBondContact N-O 3.47Å; F81-V113 PolarHBondContact O-N 3.1Å; I83-V113 HydrophobicContact CD1-CG2 3.9Å; I83-V113 HydrophobicContact CG1-CG2 4.25Å; V113-L126 HydrophobicContact CG1-CB 4.01Å; V113-L126 HydrophobicContact CG1-CD2 4.31Å; V113-I127 CarbonylContact C-O 3.42Å; V113-I127 WeakPolarHBondContact CA-O 3.26Å; V113-N128 HydrophobicContact CG2-CB 4.05Å; V113-Y195 HydrophobicContact CB-CE2 4.38Å; V113-Y195 HydrophobicContact CG1-CD2 4.24Å; V113-Y195 HydrophobicContact CG1-CE2 3.64Å; V113-Y195 HydrophobicContact CG2-CE2 3.77Å; V113-Y195 WeakPolarHBondContact CG2-OH 3.34Å
114	T	97.3	Very high	89.6	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.4	-176.5	-54.5	0	0	0	0	108.5	F75 D76 E80 I127 R129	F75-T114 HydrophobicContact CB-CG2 4.16Å; F75-T114 HydrophobicContact CD1-CG2 3.87Å; F75-T114 HydrophobicContact CG-CG2 4.47Å; D76-T114 WeakPolarHBondContact O-CG2 3.44Å; E80-T114 HydrophobicContact CB-CG2 4.5Å; T114-I127 PolarHBondContact N-O 2.82Å; T114-I127 PolarHBondContact O-N 3.37Å; T114-R129 PolarHBondContact OG1-NE 2.83Å; T114-R129 PolarHBondContact OG1-NH2 3.18Å; T114-R129 VanDerWaalsContact OG1-NH2 3.15Å
115	P	97.8	Very high	91.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	139.4	169.1	-25.8	36.4	0	0	0	110.8	D76 D79 F81 I125 L126 H189 T191	D76-P115 HydrophobicContact CB-CB 4.3Å; D76-P115 PolarHBondContact N-O 2.78Å; D79-P115 HydrophobicContact CB-CG 3.76Å; D79-P115 WeakPolarHBondContact O-CD 3.32Å; D79-P115 WeakPolarHBondContact O-CG 3.35Å; F81-P115 HydrophobicContact CE2-CG 4.3Å; P115-I125 CarbonylContact C-O 3.59Å; P115-I125 WeakPolarHBondContact CA-O 3.41Å; P115-L126 HydrophobicContact CG-CD2 4.27Å; P115-H189 HydrophobicContact CG-CB 4.12Å; P115-T191 HydrophobicContact CB-CG2 4Å; P115-T191 HydrophobicContact CG-CG2 4.37Å
116	F	97.9	Very high	93.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	116.6	-175.8	-174.8	-98.4	0	0	0	109.2	V71 Y74 F75 V118 K124 I125 I127 V151 V153	V71-F116 HydrophobicContact CB-CE1 3.99Å; V71-F116 HydrophobicContact CG2-CD1 4.17Å; V71-F116 HydrophobicContact CG2-CE1 3.71Å; V71-F116 HydrophobicContact CG2-CZ 4.29Å; Y74-F116 CarbonylContact O-C 3.51Å; Y74-F116 WeakPolarHBondContact O-CA 3.43Å; Y74-F116 WeakPolarHBondContact O-CD2 3.41Å; F75-F116 HydrophobicContact CD1-CB 4.37Å; F75-F116 AromaticContact CD1-CD2 3.65Å; F75-F116 HydrophobicContact CD1-CD2 3.65Å; F75-F116 HydrophobicContact CD1-CE2 4.48Å; F75-F116 HydrophobicContact CD2-CD2 4.05Å; F75-F116 HydrophobicContact CD2-CE2 4.12Å; F75-F116 HydrophobicContact CE1-CB 4.48Å; F75-F116 AromaticContact CE1-CD2 3.72Å; F75-F116 HydrophobicContact CE1-CD2 3.72Å; F75-F116 HydrophobicContact CE1-CE2 4.42Å; F75-F116 HydrophobicContact CE2-CD2 4.11Å; F75-F116 HydrophobicContact CE2-CE2 4.04Å; F75-F116 AromaticContact CG-CD2 3.83Å; F75-F116 HydrophobicContact CG-CD2 3.83Å; F75-F116 HydrophobicContact CG-CE2 4.34Å; F75-F116 AromaticContact CZ-CD2 3.96Å; F75-F116 HydrophobicContact CZ-CD2 3.96Å; F75-F116 HydrophobicContact CZ-CE2 4.2Å; F116-V118 HydrophobicContact CD1-CG2 4.22Å; F116-V118 PolarHBondContact O-N 2.99Å; F116-K124 CarbonylContact O-C 3.55Å; F116-K124 VanDerWaalsContact O-CA 3.26Å; F116-K124 WeakPolarHBondContact O-CA 3.46Å; F116-I125 HydrophobicContact CB-CG1 4.14Å; F116-I125 HydrophobicContact CD1-CD1 4.43Å; F116-I125 HydrophobicContact CD1-CG1 4.26Å; F116-I125 PolarHBondContact N-O 3.13Å; F116-I125 PolarHBondContact O-N 2.87Å; F116-I127 HydrophobicContact CB-CB 4.42Å; F116-I127 HydrophobicContact CB-CD1 3.51Å; F116-I127 HydrophobicContact CB-CG1 3.74Å; F116-I127 HydrophobicContact CD1-CD1 3.62Å; F116-I127 HydrophobicContact CD2-CD1 3.71Å; F116-I127 HydrophobicContact CE1-CD1 4.17Å; F116-I127 HydrophobicContact CE2-CD1 4.25Å; F116-I127 HydrophobicContact CG-CD1 3.33Å; F116-I127 HydrophobicContact CG-CG1 4.14Å; F116-I127 HydrophobicContact CZ-CD1 4.43Å; F116-V151 HydrophobicContact CE2-CG2 3.78Å; F116-V151 HydrophobicContact CZ-CG2 4.35Å; F116-V153 HydrophobicContact CE2-CG2 4.07Å; F116-V153 HydrophobicContact CZ-CG2 4.27Å
117	R	97.6	Very high	95	Very high	136 Å²	136	37 Å²	37	51%	0.513	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	110.7	177.1	-169.1	176.2	-167.5	121.8	2.8	109	G73 Y74 K119 K124	G73-R117 WeakPolarHBondContact CA-O 3.36Å; Y74-R117 PolarHBondContact N-O 3.22Å; Y74-R117 VanDerWaalsContact N-O 3.12Å; Y74-R117 PolarHBondContact O-N 2.84Å; R117-K119 PolarHBondContact O-N 2.77Å; R117-K124 HydrophobicContact CB-CG 4.25Å; R117-K124 HydrophobicContact CG-CG 4.41Å
118	V	97.2	Very high	95.8	Very high	9 Å²	9	34.6 Å²	34.6	6%	0.055	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.1	-178.7	-171	0	0	0	0	108.9	L54 F116 R121 Y123 I125	L54-V118 HydrophobicContact CD2-CG1 4.07Å; L54-V118 HydrophobicContact CD2-CG2 4.2Å; F116-V118 HydrophobicContact CD1-CG2 4.22Å; F116-V118 PolarHBondContact O-N 2.99Å; V118-R121 HydrophobicContact CB-CB 4.03Å; V118-R121 HydrophobicContact CB-CG 4.02Å; V118-R121 HydrophobicContact CG1-CB 4.11Å; V118-R121 HydrophobicContact CG1-CG 3.52Å; V118-R121 PolarHBondContact O-N 3.23Å; V118-Y123 HydrophobicContact CB-CE2 4.32Å; V118-Y123 HydrophobicContact CG2-CD2 4.36Å; V118-Y123 HydrophobicContact CG2-CE2 4.02Å; V118-Y123 PolarHBondContact N-O 3.17Å; V118-Y123 VanDerWaalsContact N-O 3.16Å; V118-I125 HydrophobicContact CG2-CB 4.42Å; V118-I125 HydrophobicContact CG2-CD1 3.82Å; V118-I125 HydrophobicContact CG2-CG1 3.76Å; V118-I125 HydrophobicContact CG2-CG2 3.92Å
119	K	95.8	Very high	96.2	Very high	83 Å²	83	32.5 Å²	32.5	36%	0.361	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	137.4	178.8	-174.6	177.6	-179.2	163.7	0	111	H72 R117 R121 E150	H72-K119 HydrophobicContact CB-CB 4.44Å; H72-K119 WeakPolarHBondContact O-CB 3.33Å; H72-K119 PolarHBondContact O-N 3.2Å; R117-K119 PolarHBondContact O-N 2.77Å; K119-R121 WeakPolarHBondContact O-CG 3.28Å; K119-R121 PolarHBondContact O-N 3.26Å; K119-E150 WeakPolarHBondContact CD-OE1 3.28Å; K119-E150 WeakPolarHBondContact CE-OE2 3.33Å; K119-E150 IonicContact NZ-OE1 3.23Å; K119-E150 PolarHBondContact NZ-OE1 3.47Å; K119-E150 IonicContact NZ-OE2 3.55Å; K119-E150 PolarHBondContact NZ-OE2 2.93Å
120	D	92.6	Very high	96.3	Very high	148 Å²	148	32.6 Å²	32.6	79%	0.791	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	10.8	176.6	-51.8	-34.7	0	0	0	116.2
121	R	92.9	Very high	96.4	Very high	105 Å²	105	33 Å²	33	40%	0.396	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-19.9	179.8	-62.7	-50.3	-172	176.1	9.3	114.8	D56 V118 K119 Y123	D56-R121 IonicContact OD1-CZ 2.81Å; D56-R121 IonicContact OD1-NH1 2.72Å; D56-R121 PolarHBondContact OD1-NH1 3.44Å; D56-R121 IonicContact OD1-NH2 3.8Å; D56-R121 PolarHBondContact OD1-NH2 3.22Å; V118-R121 HydrophobicContact CB-CB 4.03Å; V118-R121 HydrophobicContact CB-CG 4.02Å; V118-R121 HydrophobicContact CG1-CB 4.11Å; V118-R121 HydrophobicContact CG1-CG 3.52Å; V118-R121 PolarHBondContact O-N 3.23Å; K119-R121 WeakPolarHBondContact O-CG 3.28Å; K119-R121 PolarHBondContact O-N 3.26Å; R121-Y123 HydrophobicContact CB-CD1 3.85Å; R121-Y123 HydrophobicContact CB-CD2 4.48Å; R121-Y123 HydrophobicContact CB-CE1 3.51Å; R121-Y123 HydrophobicContact CB-CE2 4.14Å; R121-Y123 HydrophobicContact CB-CG 4.33Å; R121-Y123 HydrophobicContact CG-CE1 4.15Å; R121-Y123 VanDerWaalsContact O-CD1 3.27Å; R121-Y123 WeakPolarHBondContact O-CD1 3.23Å; R121-Y123 PolarHBondContact O-N 3.38Å
122	G	93.1	Very high	96.3	Very high	68 Å²	68	32.2 Å²	32.2	70%	0.701	16%	0.16	S	C	*	.	S	Bend	trans	72.9	1.4	179.2	0	0	0	0	0	115.5
123	Y	95.7	Very high	96.1	Very high	60 Å²	60	33.7 Å²	33.7	24%	0.235	17%	0.17	C	C	.	.			trans	-123.6	165.4	176.4	60.1	-106.2	0	0	0	112.1	L54 L58 V118 R121 I125 A192	L54-Y123 HydrophobicContact CD2-CE2 4.18Å; L54-Y123 WeakPolarHBondContact CD2-OH 3.35Å; L58-Y123 HydrophobicContact CD1-CE1 4.49Å; L58-Y123 HydrophobicContact CD1-CE2 4.1Å; L58-Y123 HydrophobicContact CD2-CE2 4.47Å; V118-Y123 HydrophobicContact CB-CE2 4.32Å; V118-Y123 HydrophobicContact CG2-CD2 4.36Å; V118-Y123 HydrophobicContact CG2-CE2 4.02Å; V118-Y123 PolarHBondContact N-O 3.17Å; V118-Y123 VanDerWaalsContact N-O 3.16Å; R121-Y123 HydrophobicContact CB-CD1 3.85Å; R121-Y123 HydrophobicContact CB-CD2 4.48Å; R121-Y123 HydrophobicContact CB-CE1 3.51Å; R121-Y123 HydrophobicContact CB-CE2 4.14Å; R121-Y123 HydrophobicContact CB-CG 4.33Å; R121-Y123 HydrophobicContact CG-CE1 4.15Å; R121-Y123 VanDerWaalsContact O-CD1 3.27Å; R121-Y123 WeakPolarHBondContact O-CD1 3.23Å; R121-Y123 PolarHBondContact O-N 3.38Å; Y123-I125 HydrophobicContact CD2-CG2 4.02Å; Y123-I125 HydrophobicContact CE2-CG2 3.87Å; Y123-A192 HydrophobicContact CD2-CB 4.38Å
124	K	97.3	Very high	95.8	Very high	36 Å²	36	37.8 Å²	37.8	16%	0.157	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	153.5	174.9	-60.2	-174.5	-67.2	177.3	0	110.8	D76 F116 R117 H189 T191 A192	D76-K124 WeakPolarHBondContact OD2-CD 3.25Å; D76-K124 IonicContact OD2-NZ 3.34Å; F116-K124 CarbonylContact O-C 3.55Å; F116-K124 VanDerWaalsContact O-CA 3.26Å; F116-K124 WeakPolarHBondContact O-CA 3.46Å; R117-K124 HydrophobicContact CB-CG 4.25Å; R117-K124 HydrophobicContact CG-CG 4.41Å; K124-H189 WeakPolarHBondContact CE-O 3.42Å; K124-H189 PolarHBondContact NZ-O 2.76Å; K124-T191 HydrophobicContact CB-CG2 3.78Å; K124-T191 CarbonylContact O-C 3.56Å; K124-T191 WeakPolarHBondContact O-CA 3.12Å; K124-T191 WeakPolarHBondContact O-CB 3.36Å; K124-A192 PolarHBondContact O-N 2.83Å
125	I	97.8	Very high	95.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	172	170	64	175.1	0	0	0	109.6	V71 P115 F116 V118 Y123 I127 A192 V194 L196	V71-I125 HydrophobicContact CG1-CD1 3.94Å; V71-I125 HydrophobicContact CG2-CD1 4.4Å; P115-I125 CarbonylContact C-O 3.59Å; P115-I125 WeakPolarHBondContact CA-O 3.41Å; F116-I125 HydrophobicContact CB-CG1 4.14Å; F116-I125 HydrophobicContact CD1-CD1 4.43Å; F116-I125 HydrophobicContact CD1-CG1 4.26Å; F116-I125 PolarHBondContact N-O 3.13Å; F116-I125 PolarHBondContact O-N 2.87Å; V118-I125 HydrophobicContact CG2-CB 4.42Å; V118-I125 HydrophobicContact CG2-CD1 3.82Å; V118-I125 HydrophobicContact CG2-CG1 3.76Å; V118-I125 HydrophobicContact CG2-CG2 3.92Å; Y123-I125 HydrophobicContact CD2-CG2 4.02Å; Y123-I125 HydrophobicContact CE2-CG2 3.87Å; I125-I127 HydrophobicContact CD1-CD1 4.49Å; I125-I127 HydrophobicContact CD1-CG1 4.33Å; I125-I127 HydrophobicContact CG1-CG1 4.31Å; I125-A192 HydrophobicContact CG2-CB 4.4Å; I125-V194 HydrophobicContact CB-CB 4.04Å; I125-V194 HydrophobicContact CB-CG1 4.18Å; I125-V194 HydrophobicContact CD1-CG1 4.49Å; I125-V194 HydrophobicContact CG2-CB 3.81Å; I125-V194 HydrophobicContact CG2-CG1 4.06Å; I125-V194 HydrophobicContact CG2-CG2 4.38Å; I125-L196 HydrophobicContact CD1-CD1 3.88Å; I125-L196 HydrophobicContact CD1-CG 4.42Å
126	L	98.2	Very high	95.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129	175.1	-62.6	166.9	0	0	0	110.3	F81 V113 P115 V182 M185 A186 T191 V194 Y195 L196	F81-L126 HydrophobicContact CD2-CD2 4.22Å; F81-L126 HydrophobicContact CE2-CD2 3.62Å; V113-L126 HydrophobicContact CG1-CB 4.01Å; V113-L126 HydrophobicContact CG1-CD2 4.31Å; P115-L126 HydrophobicContact CG-CD2 4.27Å; L126-V182 HydrophobicContact CD1-CG1 4.11Å; L126-M185 HydrophobicContact CD1-CB 3.55Å; L126-M185 HydrophobicContact CD2-CB 4.44Å; L126-A186 HydrophobicContact CD1-CB 4.33Å; L126-T191 HydrophobicContact CD2-CG2 4.1Å; L126-T191 HydrophobicContact CG-CG2 4.49Å; L126-V194 WeakPolarHBondContact CB-O 3.29Å; L126-V194 PolarHBondContact N-O 2.92Å; L126-Y195 HydrophobicContact CB-CD2 3.89Å; L126-Y195 HydrophobicContact CD1-CD2 4.47Å; L126-Y195 WeakPolarHBondContact O-CA 3.43Å; L126-L196 PolarHBondContact O-N 2.93Å
127	I	97.9	Very high	95	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.6	173.3	-62.3	-174.5	0	0	0	109	V71 F75 V113 T114 F116 I125 R129 V153 L196 A198	V71-I127 HydrophobicContact CG2-CD1 3.84Å; F75-I127 HydrophobicContact CE1-CB 3.93Å; F75-I127 HydrophobicContact CE1-CD1 4.22Å; F75-I127 HydrophobicContact CE1-CG2 3.94Å; F75-I127 HydrophobicContact CZ-CD1 4.4Å; F75-I127 HydrophobicContact CZ-CG2 4.17Å; V113-I127 CarbonylContact C-O 3.42Å; V113-I127 WeakPolarHBondContact CA-O 3.26Å; T114-I127 PolarHBondContact N-O 2.82Å; T114-I127 PolarHBondContact O-N 3.37Å; F116-I127 HydrophobicContact CB-CB 4.42Å; F116-I127 HydrophobicContact CB-CD1 3.51Å; F116-I127 HydrophobicContact CB-CG1 3.74Å; F116-I127 HydrophobicContact CD1-CD1 3.62Å; F116-I127 HydrophobicContact CD2-CD1 3.71Å; F116-I127 HydrophobicContact CE1-CD1 4.17Å; F116-I127 HydrophobicContact CE2-CD1 4.25Å; F116-I127 HydrophobicContact CG-CD1 3.33Å; F116-I127 HydrophobicContact CG-CG1 4.14Å; F116-I127 HydrophobicContact CZ-CD1 4.43Å; I125-I127 HydrophobicContact CD1-CD1 4.49Å; I125-I127 HydrophobicContact CD1-CG1 4.33Å; I125-I127 HydrophobicContact CG1-CG1 4.31Å; I127-R129 HydrophobicContact CG2-CG 4.45Å; I127-R129 PolarHBondContact O-N 3.29Å; I127-V153 HydrophobicContact CD1-CB 4.1Å; I127-V153 HydrophobicContact CD1-CG1 4.09Å; I127-V153 HydrophobicContact CD1-CG2 4.21Å; I127-V153 HydrophobicContact CG2-CG1 4.06Å; I127-L196 CarbonylContact C-O 3.54Å; I127-L196 WeakPolarHBondContact CA-O 3.4Å; I127-L196 HydrophobicContact CG1-CB 4.45Å; I127-A198 HydrophobicContact CG2-CB 4.45Å
128	N	97.7	Very high	94.7	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	102.5	163.6	-179.9	-5.7	0	0	0	108.9	N111 V112 V113 G130 Y195 L196 E197 A198	N111-N128 PolarHBondContact ND2-ND2 2.94Å; N111-N128 VanDerWaalsContact ND2-ND2 3.15Å; V112-N128 CarbonylContact O-C 3.49Å; V112-N128 WeakPolarHBondContact O-CA 3.33Å; V112-N128 PolarHBondContact O-OD1 3.35Å; V113-N128 HydrophobicContact CG2-CB 4.05Å; N128-G130 PolarHBondContact O-N 3.42Å; N128-G130 WeakPolarHBondContact OD1-CA 3.43Å; N128-G130 PolarHBondContact OD1-N 2.97Å; N128-Y195 HydrophobicContact CB-CE1 3.76Å; N128-Y195 HydrophobicContact CB-CE2 4.28Å; N128-Y195 VanDerWaalsContact CB-CZ 3.49Å; N128-Y195 VanDerWaalsContact CB-OH 3.26Å; N128-Y195 WeakPolarHBondContact CB-OH 3.43Å; N128-Y195 PolarHBondContact ND2-OH 3.35Å; N128-L196 PolarHBondContact N-O 3.01Å; N128-E197 HydrophobicContact CB-CG 4.18Å; N128-A198 VanDerWaalsContact O-CB 3.3Å; N128-A198 WeakPolarHBondContact O-CB 3.36Å; N128-A198 PolarHBondContact O-N 2.86Å
129	R	96.3	Very high	94.5	Very high	15 Å²	15	49 Å²	49	6%	0.057	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	-22.4	179.6	-64.6	-168	-74.7	174.8	-14.1	112.3	F75 H77 E80 V112 T114 I127 G145 P208	F75-R129 HydrophobicContact CD1-CG 4.42Å; F75-R129 HydrophobicContact CE1-CG 3.67Å; F75-R129 HydrophobicContact CZ-CG 3.9Å; H77-R129 PolarHBondContact CE1-NH1 3.39Å; H77-R129 PolarHBondContact ND1-NH1 2.86Å; H77-R129 VanDerWaalsContact ND1-NH1 3.17Å; H77-R129 PolarHBondContact ND1-NH2 2.98Å; E80-R129 IonicContact OE2-NH2 2.94Å; E80-R129 PolarHBondContact OE2-NH2 3.11Å; V112-R129 PolarHBondContact O-N 2.8Å; T114-R129 PolarHBondContact OG1-NE 2.83Å; T114-R129 PolarHBondContact OG1-NH2 3.18Å; T114-R129 VanDerWaalsContact OG1-NH2 3.15Å; I127-R129 HydrophobicContact CG2-CG 4.45Å; I127-R129 PolarHBondContact O-N 3.29Å; R129-G145 PolarHBondContact NH1-O 3.35Å; R129-P208 HydrophobicContact CB-CB 3.84Å; R129-P208 HydrophobicContact CB-CG 3.89Å
130	G	95.3	Very high	94.4	Very high	3 Å²	3	53.6 Å²	53.6	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	127.6	-159.9	174.4	0	0	0	0	0	114	N111 V112 N128 L209	N111-G130 CarbonylContact C-O 3.46Å; N111-G130 VanDerWaalsContact CA-O 3.27Å; N111-G130 WeakPolarHBondContact CA-O 3.49Å; V112-G130 PolarHBondContact N-O 2.86Å; N128-G130 PolarHBondContact O-N 3.42Å; N128-G130 WeakPolarHBondContact OD1-CA 3.43Å; N128-G130 PolarHBondContact OD1-N 2.97Å; G130-L209 CarbonylContact C-O 3.59Å; G130-L209 WeakPolarHBondContact CA-O 3.44Å
131	W	95.2	Very high	94.4	Very high	8 Å²	8	49.9 Å²	49.9	3%	0.03	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.7	-171.4	-178.4	96.1	0	0	0	112.6	R86 R88 A110 P133 L209 Q212	R86-W131 PolarHBondContact O-NE1 3Å; R88-W131 HydrophobicContact CB-CD2 3.97Å; R88-W131 HydrophobicContact CB-CE3 4.37Å; R88-W131 HydrophobicContact CB-CG 4.42Å; R88-W131 HydrophobicContact CB-CH2 4.33Å; R88-W131 HydrophobicContact CB-CZ2 3.94Å; R88-W131 HydrophobicContact CG-CD2 4.17Å; R88-W131 HydrophobicContact CG-CE3 4.15Å; R88-W131 HydrophobicContact CG-CZ3 4.36Å; A110-W131 CarbonylContact O-C 3.5Å; A110-W131 VanDerWaalsContact O-CA 3.3Å; A110-W131 WeakPolarHBondContact O-CA 3.4Å; W131-P133 VanDerWaalsContact CH2-CA 3.49Å; W131-P133 HydrophobicContact CH2-CB 3.69Å; W131-P133 HydrophobicContact CH2-CG 4.46Å; W131-P133 HydrophobicContact CZ2-CB 4.48Å; W131-P133 HydrophobicContact CZ3-CB 4.01Å; W131-P133 HydrophobicContact CZ3-CG 4.29Å; W131-L209 HydrophobicContact CE3-CD1 4.04Å; W131-L209 HydrophobicContact CZ3-CD1 4.39Å; W131-L209 PolarHBondContact N-O 3.49Å; W131-L209 WeakPolarHBondContact O-CB 3.34Å; W131-L209 PolarHBondContact O-N 2.78Å; W131-Q212 HydrophobicContact CB-CG 3.71Å
132	V	94	Very high	94.4	Very high	1 Å²	1	45 Å²	45	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146	169.8	-65.3	0	0	0	0	110.3	G109 A110 V112 M136 I137 P208	G109-V132 CarbonylContact C-O 3.55Å; G109-V132 VanDerWaalsContact CA-O 3.25Å; G109-V132 WeakPolarHBondContact CA-O 3.2Å; A110-V132 HydrophobicContact CB-CG2 4.28Å; A110-V132 PolarHBondContact N-O 2.82Å; A110-V132 PolarHBondContact O-N 3.26Å; V112-V132 HydrophobicContact CG2-CG1 3.98Å; V112-V132 HydrophobicContact CG2-CG2 3.75Å; V132-M136 HydrophobicContact CB-CB 4.01Å; V132-M136 HydrophobicContact CG1-CB 4.5Å; V132-I137 HydrophobicContact CG2-CG1 4.22Å; V132-P208 HydrophobicContact CG1-CB 3.83Å; V132-P208 HydrophobicContact CG1-CG 3.83Å
133	P	92.7	Very high	94.3	Very high	32 Å²	32	46.2 Å²	46.2	21%	0.208	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	157.7	169	28.9	-34.3	0	0	0	110.2	W131 K135 M136	W131-P133 VanDerWaalsContact CH2-CA 3.49Å; W131-P133 HydrophobicContact CH2-CB 3.69Å; W131-P133 HydrophobicContact CH2-CG 4.46Å; W131-P133 HydrophobicContact CZ2-CB 4.48Å; W131-P133 HydrophobicContact CZ3-CB 4.01Å; W131-P133 HydrophobicContact CZ3-CG 4.29Å; P133-K135 HydrophobicContact CB-CG 4.25Å; P133-K135 HydrophobicContact CG-CG 4.09Å; P133-K135 PolarHBondContact O-N 3.38Å; P133-M136 HydrophobicContact CG-CB 3.96Å; P133-M136 HydrophobicContact CG-CG 3.93Å; P133-M136 HydrophobicContact CG-SD 3.69Å; P133-M136 WeakPolarHBondContact O-CA 3.31Å; P133-M136 PolarHBondContact O-N 3Å
134	N	91.1	Very high	94.1	Very high	86 Å²	86	50.7 Å²	50.7	46%	0.46	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-52.9	-35.5	-177.2	-71.7	-28.3	0	0	0	113.9	G109 M136 I137	G109-N134 WeakPolarHBondContact CA-OD1 3.14Å; N134-M136 PolarHBondContact O-N 2.9Å; N134-I137 HydrophobicContact CB-CD1 4.34Å; N134-I137 WeakPolarHBondContact O-CG1 3.45Å; N134-I137 PolarHBondContact O-N 3.15Å
135	K	91.3	Very high	93.7	Very high	170 Å²	170	49 Å²	49	74%	0.739	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-66.6	-15.5	177	67	-180	-177.4	180	0	114.7	P133 T141	P133-K135 HydrophobicContact CB-CG 4.25Å; P133-K135 HydrophobicContact CG-CG 4.09Å; P133-K135 PolarHBondContact O-N 3.38Å; K135-T141 PolarHBondContact O-OG1 2.8Å
136	M	92.2	Very high	93.4	Very high	40 Å²	40	50.6 Å²	50.6	20%	0.197	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-110.7	13.4	-178.7	-72	175.6	73.1	0	0	113.2	V132 P133 N134 T141 R142 G206	V132-M136 HydrophobicContact CB-CB 4.01Å; V132-M136 HydrophobicContact CG1-CB 4.5Å; P133-M136 HydrophobicContact CG-CB 3.96Å; P133-M136 HydrophobicContact CG-CG 3.93Å; P133-M136 HydrophobicContact CG-SD 3.69Å; P133-M136 WeakPolarHBondContact O-CA 3.31Å; P133-M136 PolarHBondContact O-N 3Å; N134-M136 PolarHBondContact O-N 2.9Å; M136-T141 VanDerWaalsContact CA-OG1 3.25Å; M136-T141 WeakPolarHBondContact CA-OG1 3.47Å; M136-R142 HydrophobicContact CE-CB 3.82Å; M136-R142 WeakPolarHBondContact O-CD 3.15Å; M136-R142 PolarHBondContact O-NE 2.86Å; M136-G206 VanDerWaalsContact CE-O 3.26Å; M136-G206 WeakPolarHBondContact CE-O 3.46Å
137	I	92.4	Very high	93.1	Very high	47 Å²	47	53.1 Å²	53.1	24%	0.241	27%	0.268	C	S	.	.			trans	-63.6	-44.7	177.4	-72.9	174	0	0	0	110.5	V82 A110 V132 N134 P139	V82-I137 HydrophobicContact CB-CG2 4.48Å; V82-I137 HydrophobicContact CG1-CG2 3.8Å; V82-I137 HydrophobicContact CG2-CG2 4.06Å; A110-I137 HydrophobicContact CB-CD1 3.89Å; A110-I137 HydrophobicContact CB-CG1 3.82Å; V132-I137 HydrophobicContact CG2-CG1 4.22Å; N134-I137 HydrophobicContact CB-CD1 4.34Å; N134-I137 WeakPolarHBondContact O-CG1 3.45Å; N134-I137 PolarHBondContact O-N 3.15Å; I137-P139 WeakPolarHBondContact O-CD 3.46Å
138	D	92.5	Very high	92.7	Very high	76 Å²	76	62.1 Å²	62.1	41%	0.406	31%	0.31	S	S	.	.	S	Bend	trans	-67.2	123.1	178.9	-178.1	-20.8	0	0	0	110.4	K140 T141	D138-K140 PolarHBondContact O-N 2.69Å; D138-K140 VanDerWaalsContact OD1-CB 3.32Å; D138-K140 WeakPolarHBondContact OD1-CB 3.5Å; D138-K140 WeakPolarHBondContact OD1-CG 3.44Å; D138-K140 PolarHBondContact OD1-N 3.37Å; D138-T141 HydrophobicContact CB-CG2 4.08Å; D138-T141 PolarHBondContact O-N 3.17Å; D138-T141 PolarHBondContact O-OG1 3.19Å
139	P	92.6	Very high	92.5	Very high	48 Å²	48	63.9 Å²	63.9	31%	0.312	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-41.3	-40.7	173.6	-20.5	15.3	0	0	0	114.5	E80 I137 T141 R142	E80-P139 HydrophobicContact CG-CG 4.4Å; E80-P139 VanDerWaalsContact OE1-CD 3.31Å; E80-P139 WeakPolarHBondContact OE1-CD 3.42Å; E80-P139 WeakPolarHBondContact OE1-CG 3.16Å; I137-P139 WeakPolarHBondContact O-CD 3.46Å; P139-T141 PolarHBondContact O-N 2.77Å; P139-R142 CarbonylContact O-C 3.53Å; P139-R142 WeakPolarHBondContact O-CG 3.02Å; P139-R142 PolarHBondContact O-N 3.38Å; P139-R142 VanDerWaalsContact O-N 3.07Å
140	K	93	Very high	92.5	Very high	179 Å²	179	67.1 Å²	67.1	78%	0.778	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-64.6	-22.9	-174.8	-63.9	175.3	-178.8	176.6	0	113	D138 R142	D138-K140 PolarHBondContact O-N 2.69Å; D138-K140 VanDerWaalsContact OD1-CB 3.32Å; D138-K140 WeakPolarHBondContact OD1-CB 3.5Å; D138-K140 WeakPolarHBondContact OD1-CG 3.44Å; D138-K140 PolarHBondContact OD1-N 3.37Å; K140-R142 VanDerWaalsContact C-N 3.31Å
141	T	93	Very high	92.5	Very high	70 Å²	70	68.2 Å²	68.2	43%	0.429	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-84.4	-6.8	179.4	64.9	0	0	0	0	113.1	K135 M136 D138 P139	K135-T141 PolarHBondContact O-OG1 2.8Å; M136-T141 VanDerWaalsContact CA-OG1 3.25Å; M136-T141 WeakPolarHBondContact CA-OG1 3.47Å; D138-T141 HydrophobicContact CB-CG2 4.08Å; D138-T141 PolarHBondContact O-N 3.17Å; D138-T141 PolarHBondContact O-OG1 3.19Å; P139-T141 PolarHBondContact O-N 2.77Å
142	R	92.8	Very high	92.6	Very high	3 Å²	3	72.6 Å²	72.6	1%	0.011	37%	0.372	C	S	.	.			trans	-136.7	53.3	-176.2	56.6	178.4	174.2	87.6	2.8	113.3	E80 M136 P139 K140 K144 G145 G206	E80-R142 IonicContact OE1-CZ 3.89Å; E80-R142 IonicContact OE1-NH2 2.68Å; E80-R142 PolarHBondContact OE1-NH2 2.67Å; E80-R142 IonicContact OE2-CZ 3.56Å; E80-R142 IonicContact OE2-NH1 3.62Å; E80-R142 IonicContact OE2-NH2 2.69Å; E80-R142 PolarHBondContact OE2-NH2 3.14Å; M136-R142 HydrophobicContact CE-CB 3.82Å; M136-R142 WeakPolarHBondContact O-CD 3.15Å; M136-R142 PolarHBondContact O-NE 2.86Å; P139-R142 CarbonylContact O-C 3.53Å; P139-R142 WeakPolarHBondContact O-CG 3.02Å; P139-R142 PolarHBondContact O-N 3.38Å; P139-R142 VanDerWaalsContact O-N 3.07Å; K140-R142 VanDerWaalsContact C-N 3.31Å; R142-K144 VanDerWaalsContact C-N 3.27Å; R142-K144 PolarHBondContact O-N 3.29Å; R142-G145 PolarHBondContact O-N 3.33Å; R142-G206 WeakPolarHBondContact CB-O 3.27Å
143	P	92.4	Very high	92.7	Very high	92 Å²	92	72.8 Å²	72.8	60%	0.597	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-58.9	-37.1	-176.6	24.7	-34.6	0	0	0	112.7	G145 Q146	P143-G145 PolarHBondContact O-N 3.05Å; P143-Q146 PolarHBondContact O-N 3.25Å
144	K	90.3	Very high	92.9	Very high	155 Å²	155	72.1 Å²	72.1	67%	0.674	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-61.6	-27.8	176.3	-67.3	-173.5	175.8	-174.1	0	113.8	R142 Q146 V204	R142-K144 VanDerWaalsContact C-N 3.27Å; R142-K144 PolarHBondContact O-N 3.29Å; K144-Q146 VanDerWaalsContact C-N 3.33Å; K144-V204 WeakPolarHBondContact O-CG1 3.39Å
145	G	89.7	Confident	93.1	Very high	1 Å²	1	68 Å²	68	1%	0.01	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-81.7	-11	176.6	0	0	0	0	0	114.2	R129 R142 P143 L147 G207	R129-G145 PolarHBondContact NH1-O 3.35Å; R142-G145 PolarHBondContact O-N 3.33Å; P143-G145 PolarHBondContact O-N 3.05Å; G145-L147 VanDerWaalsContact C-N 3.34Å; G145-L147 PolarHBondContact O-N 3.01Å; G145-G207 VanDerWaalsContact CA-CA 3.46Å
146	Q	91.5	Very high	93.3	Very high	32 Å²	32	60.1 Å²	60.1	15%	0.15	31%	0.312	C	S	.	.	S	Bend	trans	-88.8	76.1	175.9	-54.6	-61.1	12.5	0	0	108.9	H77 E80 P143 K144 E148	H77-Q146 PolarHBondContact CE1-OE1 3.32Å; H77-Q146 PolarHBondContact ND1-OE1 3.05Å; E80-Q146 PolarHBondContact OE2-NE2 2.96Å; P143-Q146 PolarHBondContact O-N 3.25Å; K144-Q146 VanDerWaalsContact C-N 3.33Å; Q146-E148 PolarHBondContact O-N 2.86Å
147	L	90.7	Very high	93.5	Very high	53 Å²	53	58.3 Å²	58.3	28%	0.277	30%	0.303	S	S	.	.			trans	-56	128.8	-179.1	-62.7	179.4	0	0	0	111.4	F75 H77 G145 V151 V204	F75-L147 HydrophobicContact CE2-CD1 4.35Å; H77-L147 PolarHBondContact NE2-N 3.43Å; H77-L147 PolarHBondContact NE2-O 3.15Å; G145-L147 VanDerWaalsContact C-N 3.34Å; G145-L147 PolarHBondContact O-N 3.01Å; L147-V151 HydrophobicContact CB-CG1 4.17Å; L147-V151 HydrophobicContact CD1-CB 4.32Å; L147-V151 HydrophobicContact CD1-CG1 3.76Å; L147-V151 HydrophobicContact CD1-CG2 4.4Å; L147-V204 HydrophobicContact CD1-CG2 3.54Å; L147-V204 HydrophobicContact CD2-CB 4.36Å; L147-V204 HydrophobicContact CD2-CG1 3.62Å; L147-V204 HydrophobicContact CD2-CG2 3.76Å; L147-V204 HydrophobicContact CG-CG1 4.35Å; L147-V204 HydrophobicContact CG-CG2 3.77Å
148	E	90.9	Very high	93.6	Very high	189 Å²	189	57.4 Å²	57.4	88%	0.883	30%	0.297	S	S	*	.			trans	-98.2	139.7	171.7	-64.1	-179.9	179	0	0	109.7	Q146	Q146-E148 PolarHBondContact O-N 2.86Å
149	G	93.5	Very high	93.7	Very high	41 Å²	41	56.6 Å²	56.6	42%	0.423	29%	0.292	S	S	.	.	S	Bend	trans	90.6	-168.2	177.5	0	0	0	0	0	115.2	Y74	Y74-G149 VanDerWaalsContact CD1-O 3.24Å; Y74-G149 WeakPolarHBondContact CD1-O 3.43Å; Y74-G149 VanDerWaalsContact CE1-C 3.43Å
150	E	95.3	Very high	93.8	Very high	83 Å²	83	57.2 Å²	57.2	39%	0.388	29%	0.293	S	S	.	.			trans	-79.1	131.3	-176.1	-162.9	179.2	138.5	0	0	110.8	G73 Y74 K119	G73-E150 CarbonylContact O-C 3.56Å; G73-E150 WeakPolarHBondContact O-CA 3.49Å; Y74-E150 HydrophobicContact CD1-CB 4.47Å; Y74-E150 HydrophobicContact CE1-CB 3.77Å; Y74-E150 HydrophobicContact CE2-CB 4.2Å; Y74-E150 HydrophobicContact CE2-CG 4.05Å; Y74-E150 PolarHBondContact OH-OE2 3.09Å; K119-E150 WeakPolarHBondContact CD-OE1 3.28Å; K119-E150 WeakPolarHBondContact CE-OE2 3.33Å; K119-E150 IonicContact NZ-OE1 3.23Å; K119-E150 PolarHBondContact NZ-OE1 3.47Å; K119-E150 IonicContact NZ-OE2 3.55Å; K119-E150 PolarHBondContact NZ-OE2 2.93Å
151	V	96.1	Very high	93.8	Very high	26 Å²	26	51.2 Å²	51.2	16%	0.158	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	147.4	-178.5	-59.6	0	0	0	0	110.9	H72 G73 F75 F116 L147 V153	H72-V151 WeakPolarHBondContact CA-O 3.33Å; G73-V151 PolarHBondContact N-O 3.03Å; G73-V151 VanDerWaalsContact N-O 3.1Å; G73-V151 PolarHBondContact O-N 3.37Å; F75-V151 HydrophobicContact CD2-CG2 3.81Å; F75-V151 HydrophobicContact CE2-CG2 3.65Å; F116-V151 HydrophobicContact CE2-CG2 3.78Å; F116-V151 HydrophobicContact CZ-CG2 4.35Å; L147-V151 HydrophobicContact CB-CG1 4.17Å; L147-V151 HydrophobicContact CD1-CB 4.32Å; L147-V151 HydrophobicContact CD1-CG1 3.76Å; L147-V151 HydrophobicContact CD1-CG2 4.4Å; V151-V153 HydrophobicContact CG2-CG2 4.16Å
152	E	96.6	Very high	93.7	Very high	100 Å²	100	56.9 Å²	56.9	47%	0.467	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	133.8	165.6	-176.8	-176.5	67.5	0	0	108.7	R70 V71 H72	R70-E152 WeakPolarHBondContact CD-OE2 3.22Å; R70-E152 HydrophobicContact CG-CG 4Å; R70-E152 IonicContact NE-OE2 2.86Å; R70-E152 PolarHBondContact NE-OE2 3.3Å; V71-E152 WeakPolarHBondContact O-CA 3.47Å; H72-E152 VanDerWaalsContact CE1-CG 3.45Å; H72-E152 WeakPolarHBondContact CE1-CG 3.45Å; H72-E152 IonicContact CE1-OE2 2.83Å; H72-E152 PolarHBondContact CE1-OE2 3.21Å; H72-E152 IonicContact NE2-OE2 3.89Å
153	V	96.5	Very high	93.7	Very high	6 Å²	6	61.9 Å²	61.9	4%	0.036	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.9	172.1	-176	0	0	0	0	108.7	V71 F75 F116 I127 V151 A198	V71-V153 HydrophobicContact CG2-CB 3.98Å; V71-V153 WeakPolarHBondContact CG2-O 3.44Å; V71-V153 PolarHBondContact N-O 2.66Å; V71-V153 PolarHBondContact O-N 3.38Å; F75-V153 HydrophobicContact CE2-CG2 3.88Å; F75-V153 HydrophobicContact CZ-CG2 3.69Å; F116-V153 HydrophobicContact CE2-CG2 4.07Å; F116-V153 HydrophobicContact CZ-CG2 4.27Å; I127-V153 HydrophobicContact CD1-CB 4.1Å; I127-V153 HydrophobicContact CD1-CG1 4.09Å; I127-V153 HydrophobicContact CD1-CG2 4.21Å; I127-V153 HydrophobicContact CG2-CG1 4.06Å; V151-V153 HydrophobicContact CG2-CG2 4.16Å; V153-A198 HydrophobicContact CG1-CB 4.26Å
154	I	96.6	Very high	93.5	Very high	18 Å²	18	59.3 Å²	59.3	9%	0.092	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.6	167.5	-59.7	166.6	0	0	0	107.3	P51 R68 I69 D199 S202	P51-I154 HydrophobicContact CB-CG1 4.48Å; P51-I154 HydrophobicContact CB-CG2 3.79Å; P51-I154 HydrophobicContact CG-CD1 4.19Å; P51-I154 HydrophobicContact CG-CG2 4.41Å; R68-I154 HydrophobicContact CB-CG2 4.28Å; I69-I154 WeakPolarHBondContact O-CA 3.44Å; I154-D199 WeakPolarHBondContact CB-OD2 3.42Å; I154-D199 WeakPolarHBondContact CG2-OD2 3.47Å; I154-D199 VanDerWaalsContact O-CG 3.28Å; I154-D199 PolarHBondContact O-N 3.26Å; I154-S202 PolarHBondContact N-OG 3.07Å; I154-S202 PolarHBondContact O-OG 3.48Å; I154-S202 VanDerWaalsContact O-OG 3.13Å
155	G	95.7	Very high	93.4	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	150.6	-178.5	0	0	0	0	0	113	R68 I69 E197	R68-G155 CarbonylContact C-O 3.53Å; R68-G155 WeakPolarHBondContact CA-O 3.46Å; I69-G155 PolarHBondContact N-O 3.35Å; I69-G155 PolarHBondContact O-N 2.72Å; G155-E197 CarbonylContact C-O 3.55Å; G155-E197 WeakPolarHBondContact CA-O 3.25Å
156	V	95.3	Very high	93.3	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.018	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.1	174.3	-178.6	0	0	0	0	108.9	V47 F66 K67 R68 R158 L196 E197 T213	V47-V156 HydrophobicContact CG1-CG2 4.16Å; V47-V156 HydrophobicContact CG2-CG1 4.28Å; F66-V156 HydrophobicContact CB-CG1 4.41Å; F66-V156 HydrophobicContact CD1-CG1 4.37Å; K67-V156 WeakPolarHBondContact O-CA 3.35Å; R68-V156 HydrophobicContact CG-CG2 4.17Å; V156-R158 PolarHBondContact O-N 3.09Å; V156-L196 WeakPolarHBondContact O-CA 3.3Å; V156-E197 PolarHBondContact N-O 3.43Å; V156-E197 PolarHBondContact O-N 3.31Å; V156-T213 HydrophobicContact CB-CG2 4.24Å; V156-T213 HydrophobicContact CG1-CG2 4Å; V156-T213 HydrophobicContact CG2-CG2 4.45Å
157	N	95.9	Very high	93.2	Very high	3 Å²	3	67.4 Å²	67.4	2%	0.016	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	127.2	176.4	175.1	47	0	0	0	111.1	L61 M64 F66 K67 I69 L196	L61-N157 PolarHBondContact O-ND2 3.03Å; M64-N157 PolarHBondContact O-ND2 3.27Å; F66-N157 PolarHBondContact N-O 2.92Å; K67-N157 PolarHBondContact O-N 3.48Å; I69-N157 HydrophobicContact CG1-CB 4Å; N157-L196 HydrophobicContact CB-CD2 3.9Å
158	R	95.2	Very high	93.4	Very high	27 Å²	27	70.2 Å²	70.2	10%	0.102	35%	0.35	C	S	.	.			trans	-128.9	138.8	178.2	-61.9	-61.7	-58.1	-77.8	6	110.7	E65 V156 Y195 E197	E65-R158 IonicContact OE1-NE 2.69Å; V156-R158 PolarHBondContact O-N 3.09Å; R158-Y195 HydrophobicContact CB-CD1 4.08Å; R158-Y195 PolarHBondContact N-O 3.13Å; R158-E197 HydrophobicContact CG-CB 4.48Å; R158-E197 HydrophobicContact CG-CG 3.8Å; R158-E197 WeakPolarHBondContact CG-OE2 3.4Å; R158-E197 IonicContact CZ-OE2 3.94Å; R158-E197 IonicContact NH1-OE1 3.03Å; R158-E197 PolarHBondContact NH1-OE1 3.23Å; R158-E197 IonicContact NH1-OE2 2.69Å; R158-E197 PolarHBondContact NH1-OE2 3.26Å
159	L	94.4	Very high	93.5	Very high	60 Å²	60	68.4 Å²	68.4	31%	0.314	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-81.2	165.1	178.6	-55	-178.1	0	0	0	111.9	E65 E161 R180	E65-L159 HydrophobicContact CB-CD1 4.06Å; E65-L159 HydrophobicContact CB-CG 4.01Å; E65-L159 HydrophobicContact CG-CD1 4.21Å; E65-L159 HydrophobicContact CG-CG 3.85Å; L159-E161 PolarHBondContact O-N 3.2Å; L159-R180 PolarHBondContact O-NE 3.43Å; L159-R180 PolarHBondContact O-NH2 3.32Å; L159-R180 VanDerWaalsContact O-NH2 3.11Å
160	N	95.2	Very high	93.7	Very high	60 Å²	60	67.4 Å²	67.4	32%	0.321	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-56	129	174.6	-176.2	66.8	0	0	0	111.6	V182 N183	N160-V182 HydrophobicContact CB-CB 4.2Å; N160-V182 HydrophobicContact CB-CG2 4.38Å; N160-V182 PolarHBondContact OD1-N 3.4Å; N160-N183 PolarHBondContact OD1-N 3.04Å
161	E	91.9	Very high	93.6	Very high	54 Å²	54	65.6 Å²	65.6	25%	0.252	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-86.4	125.1	177.4	-170.7	-178.2	-176.6	0	0	109.8	L159 R180	L159-E161 PolarHBondContact O-N 3.2Å; E161-R180 HydrophobicContact CB-CB 3.99Å; E161-R180 VanDerWaalsContact CB-O 3.23Å; E161-R180 WeakPolarHBondContact CB-O 3.25Å; E161-R180 PolarHBondContact N-O 3.4Å; E161-R180 PolarHBondContact OE2-N 3.07Å
162	K	90.7	Very high	93.4	Very high	188 Å²	188	66.7 Å²	66.7	82%	0.817	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-70	137.5	166	-67	-173.4	-179	-178.8	0	108.6	P164	K162-P164 VanDerWaalsContact O-CD 3.28Å; K162-P164 WeakPolarHBondContact O-CD 3.4Å; K162-P164 VanDerWaalsContact O-N 3.11Å
163	R	92.5	Very high	93	Very high	109 Å²	109	68.6 Å²	68.6	41%	0.411	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-48.7	119.9	177	-178.8	175.1	171.5	-148.6	0.9	110.9	V167 M168 K169 Y179	R163-V167 PolarHBondContact NE-O 3.14Å; R163-V167 PolarHBondContact NH2-O 3.07Å; R163-M168 PolarHBondContact NE-O 3.18Å; R163-K169 VanDerWaalsContact NH1-CE 3.33Å; R163-Y179 HydrophobicContact CB-CD1 4.32Å; R163-Y179 HydrophobicContact CB-CD2 4.3Å; R163-Y179 HydrophobicContact CB-CE1 3.86Å; R163-Y179 HydrophobicContact CB-CE2 3.84Å; R163-Y179 HydrophobicContact CG-CD1 3.99Å; R163-Y179 HydrophobicContact CG-CE1 3.6Å; R163-Y179 HydrophobicContact CG-CE2 4.49Å
164	P	88.4	Confident	92.7	Very high	38 Å²	38	77.2 Å²	77.2	25%	0.247	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-65.8	150.1	175.4	-20.8	32.5	0	0	0	111.7	K162 F166 V167	K162-P164 VanDerWaalsContact O-CD 3.28Å; K162-P164 WeakPolarHBondContact O-CD 3.4Å; K162-P164 VanDerWaalsContact O-N 3.11Å; P164-F166 PolarHBondContact O-N 3.16Å; P164-V167 HydrophobicContact CB-CB 4.39Å; P164-V167 HydrophobicContact CB-CG2 3.77Å; P164-V167 HydrophobicContact CG-CG2 4.07Å; P164-V167 PolarHBondContact O-N 3.11Å
165	P	88.1	Confident	92.4	Very high	102 Å²	102	79.4 Å²	79.4	66%	0.662	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	141.4	169.3	-23.1	33.5	0	0	0	110.8	V167	P165-V167 PolarHBondContact O-N 3.19Å; P165-V167 VanDerWaalsContact O-N 3.11Å
166	F	88.4	Confident	92.2	Very high	212 Å²	212	83.4 Å²	83.4	93%	0.93	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	1.5	177.3	-43.5	-72.6	0	0	0	117.2	P164	P164-F166 PolarHBondContact O-N 3.16Å
167	V	90.2	Very high	92.2	Very high	44 Å²	44	83.3 Å²	83.3	27%	0.267	41%	0.406	S	S	.	.	S	Bend	trans	-84.6	142.1	168.5	177	0	0	0	0	109.2	R163 P164 P165 F178 Y179	R163-V167 PolarHBondContact NE-O 3.14Å; R163-V167 PolarHBondContact NH2-O 3.07Å; P164-V167 HydrophobicContact CB-CB 4.39Å; P164-V167 HydrophobicContact CB-CG2 3.77Å; P164-V167 HydrophobicContact CG-CG2 4.07Å; P164-V167 PolarHBondContact O-N 3.11Å; P165-V167 PolarHBondContact O-N 3.19Å; P165-V167 VanDerWaalsContact O-N 3.11Å; V167-F178 HydrophobicContact CG1-CB 3.73Å; V167-Y179 HydrophobicContact CG1-CD1 4.14Å
168	M	93.3	Very high	92.2	Very high	111 Å²	111	85.1 Å²	85.1	55%	0.547	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-58.6	157.3	175.6	-69.7	-178.8	-77.5	0	0	112.1	R163 F178	R163-M168 PolarHBondContact NE-O 3.18Å; M168-F178 HydrophobicContact CB-CD2 3.79Å; M168-F178 HydrophobicContact CB-CE2 3.84Å; M168-F178 HydrophobicContact CB-CG 4.14Å; M168-F178 HydrophobicContact CB-CZ 4.25Å; M168-F178 HydrophobicContact CE-CD1 3.89Å; M168-F178 HydrophobicContact CE-CE1 3.39Å; M168-F178 HydrophobicContact CE-CE2 4.46Å; M168-F178 HydrophobicContact CE-CZ 3.71Å; M168-F178 HydrophobicContact SD-CE1 4.46Å; M168-F178 HydrophobicContact SD-CZ 4.19Å
169	K	94.5	Very high	92.1	Very high	152 Å²	152	84.9 Å²	84.9	66%	0.661	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-70.7	144.3	171.5	-70.6	-174.8	-179.2	-178.8	0	108.9	R163 F178	R163-K169 VanDerWaalsContact NH1-CE 3.33Å; K169-F178 VanDerWaalsContact O-CD2 3.24Å; K169-F178 WeakPolarHBondContact O-CD2 3.42Å; K169-F178 VanDerWaalsContact O-CE2 3.29Å; K169-F178 WeakPolarHBondContact O-CE2 3.49Å
170	N	95.9	Very high	92.1	Very high	20 Å²	20	83 Å²	83	11%	0.107	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-62.1	150.1	166	-65.5	-16.8	0	0	0	109.4	M176 W177 F178 Y179 D181	N170-M176 WeakPolarHBondContact CA-O 3.42Å; N170-W177 HydrophobicContact CB-CE3 3.96Å; N170-W177 HydrophobicContact CB-CZ3 4.31Å; N170-W177 VanDerWaalsContact ND2-CE3 3.32Å; N170-F178 PolarHBondContact OD1-N 2.96Å; N170-Y179 HydrophobicContact CB-CE1 4.29Å; N170-Y179 VanDerWaalsContact CG-CE1 3.45Å; N170-Y179 PolarHBondContact ND2-O 3.38Å; N170-Y179 VanDerWaalsContact OD1-CD1 3.31Å; N170-Y179 WeakPolarHBondContact OD1-CD1 3.38Å; N170-Y179 VanDerWaalsContact OD1-CE1 3.29Å; N170-Y179 WeakPolarHBondContact OD1-CE1 3.44Å; N170-Y179 PolarHBondContact OD1-N 3.47Å; N170-D181 WeakPolarHBondContact ND2-CB 3.42Å
171	D	93.8	Very high	92.1	Very high	45 Å²	45	81.8 Å²	81.8	24%	0.241	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-122.8	88.4	172.9	-176.8	-13.3	0	0	0	108.2	V173 R174 N175 M176	D171-V173 PolarHBondContact O-N 2.95Å; D171-V173 WeakPolarHBondContact OD1-CB 3.36Å; D171-V173 PolarHBondContact OD1-N 3.41Å; D171-R174 HydrophobicContact CB-CB 4.48Å; D171-R174 PolarHBondContact O-N 2.98Å; D171-R174 PolarHBondContact OD1-N 3.38Å; D171-R174 VanDerWaalsContact OD2-CD 3.24Å; D171-R174 WeakPolarHBondContact OD2-CD 3.4Å; D171-R174 WeakPolarHBondContact OD2-CG 3.36Å; D171-R174 IonicContact OD2-NE 3.78Å; D171-R174 IonicContact OD2-NH1 3.92Å; D171-N175 PolarHBondContact O-N 3.21Å; D171-N175 VanDerWaalsContact O-N 3.14Å; D171-M176 HydrophobicContact CB-CB 4.22Å; D171-M176 PolarHBondContact N-O 2.93Å; D171-M176 PolarHBondContact O-N 3.4Å
172	P	91.7	Very high	92.4	Very high	49 Å²	49	79.3 Å²	79.3	32%	0.318	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-61	-29.6	-179.8	-24.7	35.1	0	0	0	113.3	R174 N175 W177	P172-R174 VanDerWaalsContact C-N 3.3Å; P172-R174 PolarHBondContact O-N 3.18Å; P172-N175 PolarHBondContact O-N 3.15Å; P172-W177 HydrophobicContact CB-CH2 4.14Å; P172-W177 HydrophobicContact CB-CZ2 4.1Å; P172-W177 HydrophobicContact CG-CH2 4.02Å; P172-W177 HydrophobicContact CG-CZ2 4.38Å
173	V	89.3	Confident	92.6	Very high	140 Å²	140	74.5 Å²	74.5	85%	0.848	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-65.8	-37	-179.8	-179	0	0	0	0	110.6	D171	D171-V173 PolarHBondContact O-N 2.95Å; D171-V173 WeakPolarHBondContact OD1-CB 3.36Å; D171-V173 PolarHBondContact OD1-N 3.41Å
174	R	90.1	Very high	92.8	Very high	186 Å²	186	70.7 Å²	70.7	70%	0.702	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-95.9	7.4	176.8	-62.6	-174.3	179.1	157	-4.1	113.9	D171 P172 M176	D171-R174 HydrophobicContact CB-CB 4.48Å; D171-R174 PolarHBondContact O-N 2.98Å; D171-R174 PolarHBondContact OD1-N 3.38Å; D171-R174 VanDerWaalsContact OD2-CD 3.24Å; D171-R174 WeakPolarHBondContact OD2-CD 3.4Å; D171-R174 WeakPolarHBondContact OD2-CG 3.36Å; D171-R174 IonicContact OD2-NE 3.78Å; D171-R174 IonicContact OD2-NH1 3.92Å; P172-R174 VanDerWaalsContact C-N 3.3Å; P172-R174 PolarHBondContact O-N 3.18Å; R174-M176 VanDerWaalsContact C-N 3.25Å; R174-M176 HydrophobicContact CB-CG 3.97Å; R174-M176 HydrophobicContact CB-SD 4.17Å; R174-M176 PolarHBondContact O-N 2.71Å
175	N	89.9	Confident	93.1	Very high	65 Å²	65	68.9 Å²	68.9	35%	0.348	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	38	-173.5	-162.2	18.6	0	0	0	113.5	E80 F81 D171 P172 W177	E80-N175 PolarHBondContact O-ND2 2.73Å; E80-N175 VanDerWaalsContact O-ND2 3.15Å; F81-N175 VanDerWaalsContact CD1-OD1 3.25Å; F81-N175 WeakPolarHBondContact CD1-OD1 3.31Å; D171-N175 PolarHBondContact O-N 3.21Å; D171-N175 VanDerWaalsContact O-N 3.14Å; P172-N175 PolarHBondContact O-N 3.15Å; N175-W177 PolarHBondContact OD1-NE1 2.84Å
176	M	92.3	Very high	93.5	Very high	84 Å²	84	64.3 Å²	64.3	41%	0.414	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-105.3	117.5	179.8	-61.7	-179.6	67.8	0	0	111.8	N170 D171 R174 F178	N170-M176 WeakPolarHBondContact CA-O 3.42Å; D171-M176 HydrophobicContact CB-CB 4.22Å; D171-M176 PolarHBondContact N-O 2.93Å; D171-M176 PolarHBondContact O-N 3.4Å; R174-M176 VanDerWaalsContact C-N 3.25Å; R174-M176 HydrophobicContact CB-CG 3.97Å; R174-M176 HydrophobicContact CB-SD 4.17Å; R174-M176 PolarHBondContact O-N 2.71Å; M176-F178 HydrophobicContact CB-CE2 4.49Å; M176-F178 HydrophobicContact CE-CZ 3.85Å
177	W	95.4	Very high	93.9	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	31%	0.307	C	S	.	.			trans	-125	115.2	-172.5	-57.4	87.5	0	0	0	112	F81 I83 P84 N170 P172 N175 D181 A184 M185 L188	F81-W177 AromaticContact CD1-CD1 3.99Å; F81-W177 HydrophobicContact CD1-CD2 4.47Å; F81-W177 AromaticContact CD1-CE2 3.58Å; F81-W177 AromaticContact CD1-CZ2 3.83Å; F81-W177 HydrophobicContact CD1-CZ2 3.83Å; F81-W177 AromaticContact CD1-NE1 3.27Å; F81-W177 VanDerWaalsContact CD1-NE1 3.27Å; F81-W177 AromaticContact CE1-CE2 3.84Å; F81-W177 HydrophobicContact CE1-CH2 4.45Å; F81-W177 AromaticContact CE1-CZ2 3.56Å; F81-W177 HydrophobicContact CE1-CZ2 3.56Å; F81-W177 AromaticContact CE1-NE1 3.9Å; I83-W177 WeakPolarHBondContact CA-O 3.22Å; I83-W177 HydrophobicContact CG1-CB 4.13Å; I83-W177 WeakPolarHBondContact CG2-O 3.46Å; P84-W177 WeakPolarHBondContact CD-O 3.09Å; N170-W177 HydrophobicContact CB-CE3 3.96Å; N170-W177 HydrophobicContact CB-CZ3 4.31Å; N170-W177 VanDerWaalsContact ND2-CE3 3.32Å; P172-W177 HydrophobicContact CB-CH2 4.14Å; P172-W177 HydrophobicContact CB-CZ2 4.1Å; P172-W177 HydrophobicContact CG-CH2 4.02Å; P172-W177 HydrophobicContact CG-CZ2 4.38Å; N175-W177 PolarHBondContact OD1-NE1 2.84Å; W177-D181 HydrophobicContact CZ3-CB 4.18Å; W177-A184 HydrophobicContact CH2-CB 3.89Å; W177-A184 HydrophobicContact CZ3-CB 3.78Å; W177-M185 HydrophobicContact CB-CE 3.85Å; W177-M185 HydrophobicContact CD2-CE 3.46Å; W177-M185 VanDerWaalsContact CD2-CE 3.46Å; W177-M185 HydrophobicContact CD2-CG 4.02Å; W177-M185 HydrophobicContact CE3-CE 3.37Å; W177-M185 HydrophobicContact CE3-CG 3.67Å; W177-M185 HydrophobicContact CE3-SD 4.41Å; W177-M185 HydrophobicContact CG-CE 3.65Å; W177-M185 HydrophobicContact CH2-CB 4.21Å; W177-M185 HydrophobicContact CH2-CG 3.55Å; W177-M185 HydrophobicContact CZ2-CG 3.89Å; W177-M185 HydrophobicContact CZ3-CB 4.39Å; W177-M185 HydrophobicContact CZ3-CE 4.12Å; W177-M185 HydrophobicContact CZ3-CG 3.43Å; W177-M185 VanDerWaalsContact CZ3-CG 3.43Å; W177-L188 HydrophobicContact CZ2-CD2 4.34Å
178	F	94.1	Very high	94.1	Very high	40 Å²	40	59.9 Å²	59.9	18%	0.175	31%	0.314	C	S	.	.	S	Bend	trans	-98.7	-22	179.6	-56.5	-76.6	0	0	0	113.3	R86 V167 M168 K169 N170 M176	R86-F178 PolarHBondContact NH2-O 3.2Å; V167-F178 HydrophobicContact CG1-CB 3.73Å; M168-F178 HydrophobicContact CB-CD2 3.79Å; M168-F178 HydrophobicContact CB-CE2 3.84Å; M168-F178 HydrophobicContact CB-CG 4.14Å; M168-F178 HydrophobicContact CB-CZ 4.25Å; M168-F178 HydrophobicContact CE-CD1 3.89Å; M168-F178 HydrophobicContact CE-CE1 3.39Å; M168-F178 HydrophobicContact CE-CE2 4.46Å; M168-F178 HydrophobicContact CE-CZ 3.71Å; M168-F178 HydrophobicContact SD-CE1 4.46Å; M168-F178 HydrophobicContact SD-CZ 4.19Å; K169-F178 VanDerWaalsContact O-CD2 3.24Å; K169-F178 WeakPolarHBondContact O-CD2 3.42Å; K169-F178 VanDerWaalsContact O-CE2 3.29Å; K169-F178 WeakPolarHBondContact O-CE2 3.49Å; N170-F178 PolarHBondContact OD1-N 2.96Å; M176-F178 HydrophobicContact CB-CE2 4.49Å; M176-F178 HydrophobicContact CE-CZ 3.85Å
179	Y	93.7	Very high	94.1	Very high	22 Å²	22	56.2 Å²	56.2	9%	0.086	30%	0.295	C	S	.	.	S	Bend	trans	-140.8	162.1	176.7	61.8	-85.7	0	0	0	110.8	R163 V167 N170 D181	R163-Y179 HydrophobicContact CB-CD1 4.32Å; R163-Y179 HydrophobicContact CB-CD2 4.3Å; R163-Y179 HydrophobicContact CB-CE1 3.86Å; R163-Y179 HydrophobicContact CB-CE2 3.84Å; R163-Y179 HydrophobicContact CG-CD1 3.99Å; R163-Y179 HydrophobicContact CG-CE1 3.6Å; R163-Y179 HydrophobicContact CG-CE2 4.49Å; V167-Y179 HydrophobicContact CG1-CD1 4.14Å; N170-Y179 HydrophobicContact CB-CE1 4.29Å; N170-Y179 VanDerWaalsContact CG-CE1 3.45Å; N170-Y179 PolarHBondContact ND2-O 3.38Å; N170-Y179 VanDerWaalsContact OD1-CD1 3.31Å; N170-Y179 WeakPolarHBondContact OD1-CD1 3.38Å; N170-Y179 VanDerWaalsContact OD1-CE1 3.29Å; N170-Y179 WeakPolarHBondContact OD1-CE1 3.44Å; N170-Y179 PolarHBondContact OD1-N 3.47Å; Y179-D181 VanDerWaalsContact C-N 3.34Å; Y179-D181 HydrophobicContact CD2-CB 4.09Å; Y179-D181 HydrophobicContact CE2-CB 3.61Å; Y179-D181 PolarHBondContact O-N 2.93Å; Y179-D181 PolarHBondContact OH-OD2 2.95Å
180	R	94.7	Very high	94.1	Very high	22 Å²	22	55.8 Å²	55.8	8%	0.083	30%	0.3	C	S	.	.			trans	-79.4	79.3	-175.1	-175	-176.7	57.7	-128.3	-1.1	111.5	L159 E161 V182 Y195 E197	L159-R180 PolarHBondContact O-NE 3.43Å; L159-R180 PolarHBondContact O-NH2 3.32Å; L159-R180 VanDerWaalsContact O-NH2 3.11Å; E161-R180 HydrophobicContact CB-CB 3.99Å; E161-R180 VanDerWaalsContact CB-O 3.23Å; E161-R180 WeakPolarHBondContact CB-O 3.25Å; E161-R180 PolarHBondContact N-O 3.4Å; E161-R180 PolarHBondContact OE2-N 3.07Å; R180-V182 HydrophobicContact CG-CG2 3.79Å; R180-V182 PolarHBondContact O-N 3.32Å; R180-Y195 VanDerWaalsContact CD-CD1 3.44Å; R180-Y195 HydrophobicContact CG-CD1 4.47Å; R180-Y195 HydrophobicContact CG-CD2 4.15Å; R180-Y195 HydrophobicContact CG-CE1 4.12Å; R180-Y195 HydrophobicContact CG-CE2 3.79Å; R180-Y195 HydrophobicContact CG-CG 4.44Å; R180-E197 IonicContact NH1-OE1 2.67Å; R180-E197 PolarHBondContact NH1-OE1 2.82Å
181	D	96.1	Very high	94.2	Very high	33 Å²	33	55.4 Å²	55.4	18%	0.176	30%	0.299	C	S	.	.			trans	-88.6	83.8	171.8	-160.3	-32.8	0	0	0	110.1	N170 W177 Y179 N183 A184 M185	N170-D181 WeakPolarHBondContact ND2-CB 3.42Å; W177-D181 HydrophobicContact CZ3-CB 4.18Å; Y179-D181 VanDerWaalsContact C-N 3.34Å; Y179-D181 HydrophobicContact CD2-CB 4.09Å; Y179-D181 HydrophobicContact CE2-CB 3.61Å; Y179-D181 PolarHBondContact O-N 2.93Å; Y179-D181 PolarHBondContact OH-OD2 2.95Å; D181-N183 VanDerWaalsContact C-N 3.26Å; D181-N183 PolarHBondContact O-N 2.91Å; D181-A184 HydrophobicContact CB-CB 4.09Å; D181-A184 PolarHBondContact O-N 3.02Å; D181-A184 WeakPolarHBondContact OD1-CB 3.41Å; D181-A184 PolarHBondContact OD1-N 3.35Å; D181-A184 VanDerWaalsContact OD1-N 3.13Å; D181-M185 WeakPolarHBondContact O-CG 3.48Å; D181-M185 PolarHBondContact O-N 2.89Å
182	V	96.6	Very high	94.3	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.018	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-39.3	-176.4	179.6	0	0	0	0	110.7	L126 N160 R180 M185 A186 P193 Y195	L126-V182 HydrophobicContact CD1-CG1 4.11Å; N160-V182 HydrophobicContact CB-CB 4.2Å; N160-V182 HydrophobicContact CB-CG2 4.38Å; N160-V182 PolarHBondContact OD1-N 3.4Å; R180-V182 HydrophobicContact CG-CG2 3.79Å; R180-V182 PolarHBondContact O-N 3.32Å; V182-M185 PolarHBondContact O-N 2.96Å; V182-A186 WeakPolarHBondContact O-CB 3.33Å; V182-A186 PolarHBondContact O-N 3.46Å; V182-P193 HydrophobicContact CG1-CB 4.39Å; V182-Y195 HydrophobicContact CG2-CD2 3.96Å; V182-Y195 HydrophobicContact CG2-CG 3.93Å
183	N	96	Very high	94.5	Very high	86 Å²	86	55.8 Å²	55.8	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-67.1	-44.2	-178.5	-65.3	-36	0	0	0	111.5	N160 D181 A186 A187	N160-N183 PolarHBondContact OD1-N 3.04Å; D181-N183 VanDerWaalsContact C-N 3.26Å; D181-N183 PolarHBondContact O-N 2.91Å; N183-A186 PolarHBondContact O-N 3.32Å; N183-A187 WeakPolarHBondContact O-CB 3.35Å; N183-A187 PolarHBondContact O-N 2.8Å
184	A	95.6	Very high	94.9	Very high	29 Å²	29	49.4 Å²	49.4	24%	0.24	27%	0.267	C	S	.	.	H	α-helix	trans	-68.8	-38.4	177.8	0	0	0	0	0	112.3	W177 D181 L188	W177-A184 HydrophobicContact CH2-CB 3.89Å; W177-A184 HydrophobicContact CZ3-CB 3.78Å; D181-A184 HydrophobicContact CB-CB 4.09Å; D181-A184 PolarHBondContact O-N 3.02Å; D181-A184 WeakPolarHBondContact OD1-CB 3.41Å; D181-A184 PolarHBondContact OD1-N 3.35Å; D181-A184 VanDerWaalsContact OD1-N 3.13Å; A184-L188 PolarHBondContact O-N 3.42Å
185	M	96.4	Very high	95.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-45.8	173.5	-72.1	176.6	179.9	0	0	111.1	F81 I83 L126 W177 D181 V182 A187 L188	F81-M185 HydrophobicContact CB-CE 4.45Å; F81-M185 HydrophobicContact CD1-CG 4.23Å; F81-M185 HydrophobicContact CD2-CB 4.48Å; F81-M185 HydrophobicContact CD2-CG 4.37Å; F81-M185 HydrophobicContact CD2-SD 4.42Å; F81-M185 HydrophobicContact CE1-CB 4.2Å; F81-M185 HydrophobicContact CE1-CG 4.08Å; F81-M185 HydrophobicContact CE2-CB 3.92Å; F81-M185 HydrophobicContact CE2-CG 4.25Å; F81-M185 HydrophobicContact CG-CG 4.32Å; F81-M185 HydrophobicContact CG-SD 4.44Å; F81-M185 HydrophobicContact CZ-CB 3.72Å; F81-M185 HydrophobicContact CZ-CG 4.05Å; F81-M185 WeakPolarHBondContact CZ-O 3.28Å; I83-M185 HydrophobicContact CD1-CE 3.83Å; I83-M185 HydrophobicContact CG1-CE 3.97Å; L126-M185 HydrophobicContact CD1-CB 3.55Å; L126-M185 HydrophobicContact CD2-CB 4.44Å; W177-M185 HydrophobicContact CB-CE 3.85Å; W177-M185 HydrophobicContact CD2-CE 3.46Å; W177-M185 VanDerWaalsContact CD2-CE 3.46Å; W177-M185 HydrophobicContact CD2-CG 4.02Å; W177-M185 HydrophobicContact CE3-CE 3.37Å; W177-M185 HydrophobicContact CE3-CG 3.67Å; W177-M185 HydrophobicContact CE3-SD 4.41Å; W177-M185 HydrophobicContact CG-CE 3.65Å; W177-M185 HydrophobicContact CH2-CB 4.21Å; W177-M185 HydrophobicContact CH2-CG 3.55Å; W177-M185 HydrophobicContact CZ2-CG 3.89Å; W177-M185 HydrophobicContact CZ3-CB 4.39Å; W177-M185 HydrophobicContact CZ3-CE 4.12Å; W177-M185 HydrophobicContact CZ3-CG 3.43Å; W177-M185 VanDerWaalsContact CZ3-CG 3.43Å; D181-M185 WeakPolarHBondContact O-CG 3.48Å; D181-M185 PolarHBondContact O-N 2.89Å; V182-M185 PolarHBondContact O-N 2.96Å; M185-A187 VanDerWaalsContact C-N 3.32Å; M185-A187 PolarHBondContact O-N 3.07Å; M185-L188 PolarHBondContact O-N 2.99Å; M185-L188 VanDerWaalsContact O-N 3.12Å
186	A	96.1	Very high	95.6	Very high	7 Å²	7	37.6 Å²	37.6	6%	0.058	22%	0.217	C	C	.	.	H	α-helix	trans	-61.6	-40	-179.7	0	0	0	0	0	112.5	L126 V182 N183 L188 D190 T191 P193	L126-A186 HydrophobicContact CD1-CB 4.33Å; V182-A186 WeakPolarHBondContact O-CB 3.33Å; V182-A186 PolarHBondContact O-N 3.46Å; N183-A186 PolarHBondContact O-N 3.32Å; A186-L188 VanDerWaalsContact C-N 3.29Å; A186-L188 PolarHBondContact O-N 3.38Å; A186-D190 WeakPolarHBondContact O-CA 3.44Å; A186-D190 PolarHBondContact O-N 3.24Å; A186-T191 VanDerWaalsContact CA-OG1 3.25Å; A186-T191 WeakPolarHBondContact CA-OG1 3.43Å; A186-T191 WeakPolarHBondContact CB-O 3.41Å; A186-T191 WeakPolarHBondContact CB-OG1 3.2Å; A186-T191 PolarHBondContact O-N 3.48Å; A186-P193 HydrophobicContact CB-CB 4.29Å
187	A	95.5	Very high	95.8	Very high	84 Å²	84	34.2 Å²	34.2	69%	0.694	20%	0.2	S	C	*	.	H	α-helix	trans	-65.8	-28.7	176.1	0	0	0	0	0	113.5	N183 M185	N183-A187 WeakPolarHBondContact O-CB 3.35Å; N183-A187 PolarHBondContact O-N 2.8Å; M185-A187 VanDerWaalsContact C-N 3.32Å; M185-A187 PolarHBondContact O-N 3.07Å
188	L	94.9	Very high	95.9	Very high	78 Å²	78	34.4 Å²	34.4	41%	0.408	20%	0.202	S	C	.	.	H	α-helix	trans	-73.2	-39	-177.5	-168.1	69	0	0	0	112.7	F81 W177 A184 M185 A186	F81-L188 HydrophobicContact CE1-CB 4.38Å; F81-L188 HydrophobicContact CE1-CD2 3.68Å; F81-L188 HydrophobicContact CZ-CB 4.36Å; F81-L188 HydrophobicContact CZ-CD2 4.36Å; W177-L188 HydrophobicContact CZ2-CD2 4.34Å; A184-L188 PolarHBondContact O-N 3.42Å; M185-L188 PolarHBondContact O-N 2.99Å; M185-L188 VanDerWaalsContact O-N 3.12Å; A186-L188 VanDerWaalsContact C-N 3.29Å; A186-L188 PolarHBondContact O-N 3.38Å
189	H	94	Very high	95.8	Very high	34 Å²	34	33 Å²	33	16%	0.157	20%	0.196	C	C	.	.	H	α-helix	trans	-117.4	19.5	-176.3	-64.1	-60.4	0	0	0	113.9	D79 F81 P115 K124 T191	D79-H189 HydrophobicContact CB-CB 4.44Å; D79-H189 VanDerWaalsContact CG-CE1 3.41Å; D79-H189 PolarHBondContact O-CD2 3.29Å; D79-H189 PolarHBondContact O-NE2 2.97Å; D79-H189 IonicContact OD1-CE1 3.67Å; D79-H189 PolarHBondContact OD1-CE1 3.23Å; D79-H189 IonicContact OD1-ND1 2.84Å; D79-H189 PolarHBondContact OD1-ND1 2.85Å; D79-H189 IonicContact OD2-CG 3.17Å; D79-H189 IonicContact OD2-ND1 3.62Å; D79-H189 PolarHBondContact OD2-ND1 2.83Å; F81-H189 AromaticContact CE1-CD2 3.71Å; F81-H189 AromaticContact CE1-NE2 3.83Å; F81-H189 AromaticContact CE2-CD2 3.53Å; F81-H189 AromaticContact CZ-CD2 3.09Å; F81-H189 WeakPolarHBondContact CZ-CD2 3.42Å; F81-H189 AromaticContact CZ-NE2 3.71Å; P115-H189 HydrophobicContact CG-CB 4.12Å; K124-H189 WeakPolarHBondContact CE-O 3.42Å; K124-H189 PolarHBondContact NZ-O 2.76Å; H189-T191 HydrophobicContact CB-CG2 4.34Å; H189-T191 PolarHBondContact O-N 2.85Å
190	D	95.2	Very high	95.7	Very high	143 Å²	143	35.2 Å²	35.2	77%	0.765	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	56.4	178.8	-167.1	36.5	0	0	0	112.8	A186	A186-D190 WeakPolarHBondContact O-CA 3.44Å; A186-D190 PolarHBondContact O-N 3.24Å
191	T	96.6	Very high	95.4	Very high	13 Å²	13	39.7 Å²	39.7	8%	0.08	25%	0.248	C	C	.	.			trans	-105.6	157.4	173	81.3	0	0	0	0	110.1	P115 K124 L126 A186 H189	P115-T191 HydrophobicContact CB-CG2 4Å; P115-T191 HydrophobicContact CG-CG2 4.37Å; K124-T191 HydrophobicContact CB-CG2 3.78Å; K124-T191 CarbonylContact O-C 3.56Å; K124-T191 WeakPolarHBondContact O-CA 3.12Å; K124-T191 WeakPolarHBondContact O-CB 3.36Å; L126-T191 HydrophobicContact CD2-CG2 4.1Å; L126-T191 HydrophobicContact CG-CG2 4.49Å; A186-T191 VanDerWaalsContact CA-OG1 3.25Å; A186-T191 WeakPolarHBondContact CA-OG1 3.43Å; A186-T191 WeakPolarHBondContact CB-O 3.41Å; A186-T191 WeakPolarHBondContact CB-OG1 3.2Å; A186-T191 PolarHBondContact O-N 3.48Å; H189-T191 HydrophobicContact CB-CG2 4.34Å; H189-T191 PolarHBondContact O-N 2.85Å
192	A	96.3	Very high	95.2	Very high	17 Å²	17	39.6 Å²	39.6	14%	0.14	25%	0.25	C	S	.	.			trans	-61.2	148.1	160.9	0	0	0	0	0	109.2	L58 Y123 K124 I125 V194	L58-A192 HydrophobicContact CD1-CB 3.65Å; Y123-A192 HydrophobicContact CD2-CB 4.38Å; K124-A192 PolarHBondContact O-N 2.83Å; I125-A192 HydrophobicContact CG2-CB 4.4Å; A192-V194 HydrophobicContact CB-CG2 4.23Å; A192-V194 PolarHBondContact O-N 3.37Å
193	P	95.9	Very high	95	Very high	84 Å²	84	42 Å²	42	55%	0.545	27%	0.265	S	S	.	.	S	Bend	trans	-77	52	-180	33.8	-37.3	0	0	0	111.6	V182 A186	V182-P193 HydrophobicContact CG1-CB 4.39Å; A186-P193 HydrophobicContact CB-CB 4.29Å
194	V	97.1	Very high	94.7	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.042	25%	0.253	C	S	.	.			trans	-112.1	130.1	179.3	173.4	0	0	0	0	108	L58 L61 I125 L126 A192 L196	L58-V194 HydrophobicContact CB-CG2 4.36Å; L58-V194 HydrophobicContact CD1-CG2 4Å; L58-V194 HydrophobicContact CD2-CG2 4.17Å; L58-V194 HydrophobicContact CG-CG2 4.41Å; L61-V194 HydrophobicContact CD1-CB 4.23Å; L61-V194 HydrophobicContact CD1-CG1 3.66Å; L61-V194 HydrophobicContact CD1-CG2 3.52Å; I125-V194 HydrophobicContact CB-CB 4.04Å; I125-V194 HydrophobicContact CB-CG1 4.18Å; I125-V194 HydrophobicContact CD1-CG1 4.49Å; I125-V194 HydrophobicContact CG2-CB 3.81Å; I125-V194 HydrophobicContact CG2-CG1 4.06Å; I125-V194 HydrophobicContact CG2-CG2 4.38Å; L126-V194 WeakPolarHBondContact CB-O 3.29Å; L126-V194 PolarHBondContact N-O 2.92Å; A192-V194 HydrophobicContact CB-CG2 4.23Å; A192-V194 PolarHBondContact O-N 3.37Å; V194-L196 HydrophobicContact CG1-CD2 4.4Å; V194-L196 HydrophobicContact CG1-CG 4.45Å
195	Y	97.7	Very high	94.3	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	119.6	-178.4	-171.8	-82	0	0	0	111.2	V113 L126 N128 R158 R180 V182 E197	V113-Y195 HydrophobicContact CB-CE2 4.38Å; V113-Y195 HydrophobicContact CG1-CD2 4.24Å; V113-Y195 HydrophobicContact CG1-CE2 3.64Å; V113-Y195 HydrophobicContact CG2-CE2 3.77Å; V113-Y195 WeakPolarHBondContact CG2-OH 3.34Å; L126-Y195 HydrophobicContact CB-CD2 3.89Å; L126-Y195 HydrophobicContact CD1-CD2 4.47Å; L126-Y195 WeakPolarHBondContact O-CA 3.43Å; N128-Y195 HydrophobicContact CB-CE1 3.76Å; N128-Y195 HydrophobicContact CB-CE2 4.28Å; N128-Y195 VanDerWaalsContact CB-CZ 3.49Å; N128-Y195 VanDerWaalsContact CB-OH 3.26Å; N128-Y195 WeakPolarHBondContact CB-OH 3.43Å; N128-Y195 PolarHBondContact ND2-OH 3.35Å; R158-Y195 HydrophobicContact CB-CD1 4.08Å; R158-Y195 PolarHBondContact N-O 3.13Å; R180-Y195 VanDerWaalsContact CD-CD1 3.44Å; R180-Y195 HydrophobicContact CG-CD1 4.47Å; R180-Y195 HydrophobicContact CG-CD2 4.15Å; R180-Y195 HydrophobicContact CG-CE1 4.12Å; R180-Y195 HydrophobicContact CG-CE2 3.79Å; R180-Y195 HydrophobicContact CG-CG 4.44Å; V182-Y195 HydrophobicContact CG2-CD2 3.96Å; V182-Y195 HydrophobicContact CG2-CG 3.93Å; Y195-E197 HydrophobicContact CD1-CG 4.18Å; Y195-E197 HydrophobicContact CE1-CG 3.54Å
196	L	97.5	Very high	93.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133	176.6	-55.1	-177.3	0	0	0	110.2	I69 V71 I125 L126 I127 N128 V156 N157 V194	I69-L196 HydrophobicContact CB-CD1 4.16Å; I69-L196 HydrophobicContact CB-CD2 4.02Å; I69-L196 HydrophobicContact CG1-CD2 4.06Å; I69-L196 HydrophobicContact CG2-CD1 4.23Å; V71-L196 HydrophobicContact CG1-CD1 3.98Å; V71-L196 HydrophobicContact CG2-CD1 4.16Å; I125-L196 HydrophobicContact CD1-CD1 3.88Å; I125-L196 HydrophobicContact CD1-CG 4.42Å; L126-L196 PolarHBondContact O-N 2.93Å; I127-L196 CarbonylContact C-O 3.54Å; I127-L196 WeakPolarHBondContact CA-O 3.4Å; I127-L196 HydrophobicContact CG1-CB 4.45Å; N128-L196 PolarHBondContact N-O 3.01Å; V156-L196 WeakPolarHBondContact O-CA 3.3Å; N157-L196 HydrophobicContact CB-CD2 3.9Å; V194-L196 HydrophobicContact CG1-CD2 4.4Å; V194-L196 HydrophobicContact CG1-CG 4.45Å
197	E	96.8	Very high	93.7	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.061	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	110.1	169.5	-68.2	-178.3	164.3	0	0	109.1	N128 G155 V156 R158 R180 Y195 D199 T213	N128-E197 HydrophobicContact CB-CG 4.18Å; G155-E197 CarbonylContact C-O 3.55Å; G155-E197 WeakPolarHBondContact CA-O 3.25Å; V156-E197 PolarHBondContact N-O 3.43Å; V156-E197 PolarHBondContact O-N 3.31Å; R158-E197 HydrophobicContact CG-CB 4.48Å; R158-E197 HydrophobicContact CG-CG 3.8Å; R158-E197 WeakPolarHBondContact CG-OE2 3.4Å; R158-E197 IonicContact CZ-OE2 3.94Å; R158-E197 IonicContact NH1-OE1 3.03Å; R158-E197 PolarHBondContact NH1-OE1 3.23Å; R158-E197 IonicContact NH1-OE2 2.69Å; R158-E197 PolarHBondContact NH1-OE2 3.26Å; R180-E197 IonicContact NH1-OE1 2.67Å; R180-E197 PolarHBondContact NH1-OE1 2.82Å; Y195-E197 HydrophobicContact CD1-CG 4.18Å; Y195-E197 HydrophobicContact CE1-CG 3.54Å; E197-D199 PolarHBondContact O-N 3.01Å; E197-T213 VanDerWaalsContact OE2-CA 3.31Å; E197-T213 WeakPolarHBondContact OE2-CA 3.37Å; E197-T213 WeakPolarHBondContact OE2-CG2 3.47Å; E197-T213 PolarHBondContact OE2-OG1 3.09Å
198	A	96.3	Very high	93.6	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.033	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	133.6	-178.8	0	0	0	0	0	110.9	I127 N128 V153 G211	I127-A198 HydrophobicContact CG2-CB 4.45Å; N128-A198 VanDerWaalsContact O-CB 3.3Å; N128-A198 WeakPolarHBondContact O-CB 3.36Å; N128-A198 PolarHBondContact O-N 2.86Å; V153-A198 HydrophobicContact CG1-CB 4.26Å; A198-G211 PolarHBondContact O-N 3.49Å
199	D	93.1	Very high	93.5	Very high	12 Å²	12	41 Å²	41	6%	0.064	25%	0.253	C	S	.	.			trans	-74.6	174.3	178.1	76.5	-1.1	0	0	0	111.6	R68 I154 E197 V201 S202 G210 G211	R68-D199 IonicContact CZ-OD2 3.89Å; R68-D199 IonicContact NE-OD2 3.29Å; R68-D199 IonicContact NH2-OD2 2.8Å; R68-D199 PolarHBondContact NH2-OD2 3.45Å; I154-D199 WeakPolarHBondContact CB-OD2 3.42Å; I154-D199 WeakPolarHBondContact CG2-OD2 3.47Å; I154-D199 VanDerWaalsContact O-CG 3.28Å; I154-D199 PolarHBondContact O-N 3.26Å; E197-D199 PolarHBondContact O-N 3.01Å; D199-V201 PolarHBondContact O-N 2.87Å; D199-V201 WeakPolarHBondContact OD1-CB 3.27Å; D199-V201 PolarHBondContact OD1-N 2.92Å; D199-V201 VanDerWaalsContact OD1-N 3.15Å; D199-S202 PolarHBondContact O-N 3.4Å; D199-S202 WeakPolarHBondContact OD1-CB 3.28Å; D199-S202 PolarHBondContact OD1-N 3.18Å; D199-S202 PolarHBondContact OD1-OG 3.18Å; D199-G210 WeakPolarHBondContact O-CA 3.34Å; D199-G211 VanDerWaalsContact C-N 3.32Å; D199-G211 PolarHBondContact O-N 3.36Å
200	A	91.2	Very high	93.5	Very high	67 Å²	67	39.5 Å²	39.5	55%	0.554	25%	0.248	S	C	*	.	S	Bend	trans	-66.2	-28.3	-178.9	0	0	0	0	0	112.3	S202 T203	A200-S202 VanDerWaalsContact C-N 3.32Å; A200-T203 VanDerWaalsContact O-CB 3.28Å; A200-T203 WeakPolarHBondContact O-CB 3.19Å; A200-T203 PolarHBondContact O-N 3.43Å; A200-T203 PolarHBondContact O-OG1 2.79Å
201	V	89.2	Confident	93.3	Very high	117 Å²	117	34.1 Å²	34.1	71%	0.709	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-34	-179.7	-178.1	0	0	0	0	110.8	D199 T203	D199-V201 PolarHBondContact O-N 2.87Å; D199-V201 WeakPolarHBondContact OD1-CB 3.27Å; D199-V201 PolarHBondContact OD1-N 2.92Å; D199-V201 VanDerWaalsContact OD1-N 3.15Å; V201-T203 PolarHBondContact O-N 3.24Å
202	S	90.5	Very high	93	Very high	31 Å²	31	34.2 Å²	34.2	22%	0.217	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	10.8	177.7	-50.1	0	0	0	0	113.7	I154 D199 A200	I154-S202 PolarHBondContact N-OG 3.07Å; I154-S202 PolarHBondContact O-OG 3.48Å; I154-S202 VanDerWaalsContact O-OG 3.13Å; D199-S202 PolarHBondContact O-N 3.4Å; D199-S202 WeakPolarHBondContact OD1-CB 3.28Å; D199-S202 PolarHBondContact OD1-N 3.18Å; D199-S202 PolarHBondContact OD1-OG 3.18Å; A200-S202 VanDerWaalsContact C-N 3.32Å
203	T	92.4	Very high	92.6	Very high	52 Å²	52	34.3 Å²	34.3	32%	0.319	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-75.2	131	179.3	-59.2	0	0	0	0	111	A200 V201 L209 G210	A200-T203 VanDerWaalsContact O-CB 3.28Å; A200-T203 WeakPolarHBondContact O-CB 3.19Å; A200-T203 PolarHBondContact O-N 3.43Å; A200-T203 PolarHBondContact O-OG1 2.79Å; V201-T203 PolarHBondContact O-N 3.24Å; T203-L209 HydrophobicContact CG2-CD2 3.85Å; T203-G210 WeakPolarHBondContact OG1-CA 3.34Å; T203-G210 PolarHBondContact OG1-N 3.35Å
204	V	90.2	Very high	92	Very high	35 Å²	35	32.5 Å²	32.5	21%	0.212	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-98.4	134.9	176.8	-174.7	0	0	0	0	110	K144 L147 G206 G207	K144-V204 WeakPolarHBondContact O-CG1 3.39Å; L147-V204 HydrophobicContact CD1-CG2 3.54Å; L147-V204 HydrophobicContact CD2-CB 4.36Å; L147-V204 HydrophobicContact CD2-CG1 3.62Å; L147-V204 HydrophobicContact CD2-CG2 3.76Å; L147-V204 HydrophobicContact CG-CG1 4.35Å; L147-V204 HydrophobicContact CG-CG2 3.77Å; V204-G206 PolarHBondContact O-N 3.23Å; V204-G207 WeakPolarHBondContact O-CA 3.44Å; V204-G207 PolarHBondContact O-N 2.93Å
205	D	88.3	Confident	91	Very high	137 Å²	137	33.5 Å²	33.5	73%	0.733	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	130.6	173.7	-175.9	40	0	0	0	111.5	G207	D205-G207 PolarHBondContact O-N 2.97Å
206	G	87.8	Confident	89.8	Confident	31 Å²	31	40 Å²	40	32%	0.32	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	3.8	-172.3	0	0	0	0	0	115.3	M136 R142 V204	M136-G206 VanDerWaalsContact CE-O 3.26Å; M136-G206 WeakPolarHBondContact CE-O 3.46Å; R142-G206 WeakPolarHBondContact CB-O 3.27Å; V204-G206 PolarHBondContact O-N 3.23Å
207	G	90.9	Very high	88.1	Confident	6 Å²	6	41.9 Å²	41.9	6%	0.062	26%	0.256	C	S	.	.	S	Bend	trans	-104.1	-171	175	0	0	0	0	0	114.3	G145 V204 D205	G145-G207 VanDerWaalsContact CA-CA 3.46Å; V204-G207 WeakPolarHBondContact O-CA 3.44Å; V204-G207 PolarHBondContact O-N 2.93Å; D205-G207 PolarHBondContact O-N 2.97Å
208	P	94	Very high	86.3	Confident	5 Å²	5	46 Å²	46	3%	0.032	28%	0.284	C	S	.	.			trans	-59.1	136.5	170.3	-21.8	34.2	0	0	0	111.9	V112 R129 V132 G210	V112-P208 HydrophobicContact CB-CB 4.39Å; V112-P208 HydrophobicContact CB-CG 3.94Å; V112-P208 HydrophobicContact CG1-CG 4.36Å; V112-P208 HydrophobicContact CG2-CG 4.05Å; R129-P208 HydrophobicContact CB-CB 3.84Å; R129-P208 HydrophobicContact CB-CG 3.89Å; V132-P208 HydrophobicContact CG1-CB 3.83Å; V132-P208 HydrophobicContact CG1-CG 3.83Å; P208-G210 PolarHBondContact O-N 3.3Å
209	L	93.6	Very high	84.4	Confident	49 Å²	49	48.8 Å²	48.8	26%	0.257	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-81.7	111.2	179.7	-61.8	179.7	0	0	0	110.2	G130 W131 T203 Q212	G130-L209 CarbonylContact C-O 3.59Å; G130-L209 WeakPolarHBondContact CA-O 3.44Å; W131-L209 HydrophobicContact CE3-CD1 4.04Å; W131-L209 HydrophobicContact CZ3-CD1 4.39Å; W131-L209 PolarHBondContact N-O 3.49Å; W131-L209 WeakPolarHBondContact O-CB 3.34Å; W131-L209 PolarHBondContact O-N 2.78Å; T203-L209 HydrophobicContact CG2-CD2 3.85Å; L209-Q212 WeakPolarHBondContact O-CG 3.01Å
210	G	93.6	Very high	82.5	Confident	4 Å²	4	53.5 Å²	53.5	4%	0.041	32%	0.324	C	S	.	.			trans	-68.1	-177	174.1	0	0	0	0	0	113.1	D199 T203 P208 Q212	D199-G210 WeakPolarHBondContact O-CA 3.34Å; T203-G210 WeakPolarHBondContact OG1-CA 3.34Å; T203-G210 PolarHBondContact OG1-N 3.35Å; P208-G210 PolarHBondContact O-N 3.3Å; G210-Q212 VanDerWaalsContact C-N 3.33Å; G210-Q212 PolarHBondContact O-N 3.41Å; G210-Q212 PolarHBondContact O-NE2 3.23Å; G210-Q212 VanDerWaalsContact O-NE2 3.14Å
211	G	90.7	Very high	80.5	Confident	30 Å²	30	56.1 Å²	56.1	31%	0.309	32%	0.324	S	S	.	.			trans	69.8	27.4	177.1	0	0	0	0	0	114.2	A198 D199	A198-G211 PolarHBondContact O-N 3.49Å; D199-G211 VanDerWaalsContact C-N 3.32Å; D199-G211 PolarHBondContact O-N 3.36Å
212	Q	90	Very high	78.5	Confident	14 Å²	14	55.8 Å²	55.8	7%	0.065	32%	0.322	C	S	.	.			trans	-96	10.1	-177.2	-54.4	-64.8	-43.7	0	0	113	W131 L209 G210 N214	W131-Q212 HydrophobicContact CB-CG 3.71Å; L209-Q212 WeakPolarHBondContact O-CG 3.01Å; G210-Q212 VanDerWaalsContact C-N 3.33Å; G210-Q212 PolarHBondContact O-N 3.41Å; G210-Q212 PolarHBondContact O-NE2 3.23Å; G210-Q212 VanDerWaalsContact O-NE2 3.14Å; Q212-N214 PolarHBondContact O-N 3.04Å
213	T	87.8	Confident	76.5	Confident	20 Å²	20	57.4 Å²	57.4	12%	0.123	34%	0.338	C	S	.	.			trans	-54.2	120.8	-176.4	-55	0	0	0	0	111.3	F66 V156 E197 V215	F66-T213 HydrophobicContact CD1-CG2 4.43Å; F66-T213 HydrophobicContact CE1-CG2 4.47Å; V156-T213 HydrophobicContact CB-CG2 4.24Å; V156-T213 HydrophobicContact CG1-CG2 4Å; V156-T213 HydrophobicContact CG2-CG2 4.45Å; E197-T213 VanDerWaalsContact OE2-CA 3.31Å; E197-T213 WeakPolarHBondContact OE2-CA 3.37Å; E197-T213 WeakPolarHBondContact OE2-CG2 3.47Å; E197-T213 PolarHBondContact OE2-OG1 3.09Å; T213-V215 HydrophobicContact CG2-CG2 4.21Å; T213-V215 PolarHBondContact O-N 3.48Å
214	N	83.3	Confident	74.3	Confident	45 Å²	45	56.7 Å²	56.7	24%	0.241	33%	0.33	C	S	.	.			trans	-80.1	102.6	174.5	-175.5	15.7	0	0	0	110.6	R89 Q212 Q216	R89-N214 VanDerWaalsContact CZ-CG 3.47Å; R89-N214 PolarHBondContact NH1-ND2 2.79Å; R89-N214 PolarHBondContact NH1-OD1 2.96Å; R89-N214 PolarHBondContact NH2-ND2 3.2Å; Q212-N214 PolarHBondContact O-N 3.04Å; N214-Q216 VanDerWaalsContact C-N 3.3Å; N214-Q216 WeakPolarHBondContact OD1-CB 3.47Å; N214-Q216 VanDerWaalsContact OD1-CG 3.28Å; N214-Q216 WeakPolarHBondContact OD1-CG 3.39Å; N214-Q216 PolarHBondContact OD1-N 3.48Å
215	V	77.1	Confident	72.3	Confident	29 Å²	29	61.1 Å²	61.1	18%	0.176	35%	0.351	C	S	.	.			trans	-88.9	5.3	175.1	-160.4	0	0	0	0	112.2	L40 L43 V47 T213 I217	L40-V215 WeakPolarHBondContact CD2-O 3.24Å; L43-V215 HydrophobicContact CB-CG1 3.43Å; L43-V215 VanDerWaalsContact CB-CG1 3.43Å; L43-V215 HydrophobicContact CD1-CG1 4.13Å; L43-V215 HydrophobicContact CG-CG1 4.4Å; V47-V215 HydrophobicContact CG2-CG2 4.21Å; T213-V215 HydrophobicContact CG2-CG2 4.21Å; T213-V215 PolarHBondContact O-N 3.48Å; V215-I217 PolarHBondContact O-N 3.34Å
216	Q	70.8	Confident	70.3	Confident	140 Å²	140	60.8 Å²	60.8	65%	0.654	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-72.1	128.1	176.8	-61.3	177.2	-4.1	0	0	110.6	N214 P218	N214-Q216 VanDerWaalsContact C-N 3.3Å; N214-Q216 WeakPolarHBondContact OD1-CB 3.47Å; N214-Q216 VanDerWaalsContact OD1-CG 3.28Å; N214-Q216 WeakPolarHBondContact OD1-CG 3.39Å; N214-Q216 PolarHBondContact OD1-N 3.48Å; Q216-P218 WeakPolarHBondContact O-CD 3.2Å
217	I	63.7	Low	68.4	Low	38 Å²	38	64 Å²	64	20%	0.195	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-76.9	120.8	172.4	-54.6	164.3	0	0	0	107.1	L39 L40 L43 V215 D219	L39-I217 HydrophobicContact CB-CD1 3.76Å; L39-I217 HydrophobicContact CD2-CD1 3.58Å; L39-I217 HydrophobicContact CG-CD1 3.46Å; L39-I217 VanDerWaalsContact CG-CD1 3.46Å; L40-I217 HydrophobicContact CD2-CD1 3.9Å; L40-I217 HydrophobicContact CD2-CG1 3.97Å; L40-I217 HydrophobicContact CG-CD1 3.86Å; L40-I217 HydrophobicContact CG-CG1 4.48Å; L43-I217 HydrophobicContact CD1-CD1 4.17Å; L43-I217 HydrophobicContact CD1-CG1 3.79Å; V215-I217 PolarHBondContact O-N 3.34Å; I217-D219 PolarHBondContact O-N 2.96Å; I217-D219 VanDerWaalsContact O-N 3.15Å
218	P	58.2	Low	66	Low	99 Å²	99	72.5 Å²	72.5	64%	0.643	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-55.3	122	175	-23.6	33.1	0	0	0	110.1	Q216 N220	Q216-P218 WeakPolarHBondContact O-CD 3.2Å; P218-N220 VanDerWaalsContact C-N 3.35Å; P218-N220 PolarHBondContact O-N 3.3Å
219	D	55.9	Low	64.6	Low	64 Å²	64	75.9 Å²	75.9	34%	0.342	42%	0.415	S	S	.	.			trans	-73.2	96.1	166.7	-75.7	-36.7	0	0	0	107.1	K36 I217 H221	K36-D219 IonicContact NZ-OD1 2.72Å; K36-D219 PolarHBondContact NZ-OD1 2.97Å; K36-D219 IonicContact NZ-OD2 2.66Å; K36-D219 PolarHBondContact NZ-OD2 2.88Å; I217-D219 PolarHBondContact O-N 2.96Å; I217-D219 VanDerWaalsContact O-N 3.15Å; D219-H221 VanDerWaalsContact CB-NE2 3.35Å; D219-H221 WeakPolarHBondContact CB-NE2 3.38Å; D219-H221 PolarHBondContact O-CD2 3.48Å; D219-H221 PolarHBondContact O-N 3.45Å
220	N	52.9	Low	63.1	Low	111 Å²	111	77.3 Å²	77.3	59%	0.594	42%	0.424	S	S	*	.			trans	-70	78.8	171.8	-74.4	-19.5	0	0	0	109	P218 T222 A223 Y224	P218-N220 VanDerWaalsContact C-N 3.35Å; P218-N220 PolarHBondContact O-N 3.3Å; N220-T222 PolarHBondContact O-N 3.39Å; N220-T222 VanDerWaalsContact O-N 3.14Å; N220-A223 PolarHBondContact O-N 3.15Å; N220-Y224 WeakPolarHBondContact O-CD2 3.48Å
221	H	50.7	Low	61.4	Low	122 Å²	122	81.3 Å²	81.3	57%	0.565	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.6	177.5	-71.9	-74.4	0	0	0	112.8	D219 A223 Y224	D219-H221 VanDerWaalsContact CB-NE2 3.35Å; D219-H221 WeakPolarHBondContact CB-NE2 3.38Å; D219-H221 PolarHBondContact O-CD2 3.48Å; D219-H221 PolarHBondContact O-N 3.45Å; H221-A223 VanDerWaalsContact C-N 3.29Å; H221-A223 PolarHBondContact O-N 3.12Å; H221-Y224 WeakPolarHBondContact O-CA 3.42Å; H221-Y224 WeakPolarHBondContact O-CB 3.43Å; H221-Y224 PolarHBondContact O-N 3.43Å
222	T	46.7	Very low	59.7	Low	109 Å²	109	84.4 Å²	84.4	67%	0.669	45%	0.453	S	S	*	.	H	α-helix	trans	-67.3	-26.7	176.1	-0.7	0	0	0	0	113.4	N220 Y224	N220-T222 PolarHBondContact O-N 3.39Å; N220-T222 VanDerWaalsContact O-N 3.14Å; T222-Y224 PolarHBondContact O-N 3.33Å
223	A	48.8	Very low	57.8	Low	66 Å²	66	88.8 Å²	88.8	55%	0.545	48%	0.477	S	S	.	.	H	α-helix	trans	-69.3	-22.6	169.9	0	0	0	0	0	112.1	N220 H221 T227	N220-A223 PolarHBondContact O-N 3.15Å; H221-A223 VanDerWaalsContact C-N 3.29Å; H221-A223 PolarHBondContact O-N 3.12Å; A223-T227 PolarHBondContact O-OG1 3.42Å
224	Y	45	Very low	55.8	Low	37 Å²	37	93.3 Å²	93.3	15%	0.145	50%	0.501	C	S	.	.	H	α-helix	trans	-76	-34	-178.3	-66.7	-109.7	0	0	0	111	W28 R32 N220 H221 T222 V226 T227 W228	W28-Y224 AromaticContact CH2-CD1 3.68Å; W28-Y224 HydrophobicContact CH2-CD1 3.68Å; W28-Y224 AromaticContact CH2-CE1 3.27Å; W28-Y224 HydrophobicContact CH2-CE1 3.27Å; W28-Y224 HydrophobicContact CZ2-CE1 4.38Å; W28-Y224 HydrophobicContact CZ3-CD1 4.1Å; W28-Y224 AromaticContact CZ3-CE1 3.73Å; W28-Y224 HydrophobicContact CZ3-CE1 3.73Å; R32-Y224 PolarHBondContact NE-OH 3.49Å; N220-Y224 WeakPolarHBondContact O-CD2 3.48Å; H221-Y224 WeakPolarHBondContact O-CA 3.42Å; H221-Y224 WeakPolarHBondContact O-CB 3.43Å; H221-Y224 PolarHBondContact O-N 3.43Å; T222-Y224 PolarHBondContact O-N 3.33Å; Y224-V226 PolarHBondContact O-N 3.04Å; Y224-T227 WeakPolarHBondContact CA-OG1 3.4Å; Y224-T227 PolarHBondContact O-N 3.15Å; Y224-T227 VanDerWaalsContact O-N 3.07Å; Y224-T227 PolarHBondContact O-OG1 3.36Å; Y224-W228 PolarHBondContact O-N 3.45Å
225	I	47.9	Very low	53.8	Low	128 Å²	128	96.8 Å²	96.8	66%	0.656	52%	0.519	S	S	*	.	H	α-helix	trans	-63.7	-26.9	-179.6	-61.7	173.7	0	0	0	112.3
226	V	46.6	Very low	52	Low	130 Å²	130	102 Å²	102	79%	0.788	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.9	179.7	-174	0	0	0	0	112.5	Y224	Y224-V226 PolarHBondContact O-N 3.04Å
227	T	47.4	Very low	50.5	Low	97 Å²	97	98.8 Å²	98.8	60%	0.595	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-3.1	178.5	30.9	0	0	0	0	114	A223 Y224	A223-T227 PolarHBondContact O-OG1 3.42Å; Y224-T227 WeakPolarHBondContact CA-OG1 3.4Å; Y224-T227 PolarHBondContact O-N 3.15Å; Y224-T227 VanDerWaalsContact O-N 3.07Å; Y224-T227 PolarHBondContact O-OG1 3.36Å
228	W	41.8	Very low	49.3	Very low	185 Å²	185	104.4 Å²	104.4	70%	0.701	57%	0.568	S	S	*	*			trans	-118	0	174.1	-68.2	103.2	0	0	0	110.5	L25 Y224	L25-W228 HydrophobicContact CB-CH2 3.75Å; L25-W228 HydrophobicContact CB-CZ2 4.42Å; L25-W228 HydrophobicContact CB-CZ3 4.43Å; L25-W228 HydrophobicContact CD1-CE3 4.03Å; L25-W228 HydrophobicContact CD1-CH2 3.21Å; L25-W228 HydrophobicContact CD1-CZ2 4.35Å; L25-W228 HydrophobicContact CD1-CZ3 3.01Å; L25-W228 HydrophobicContact CD2-CD2 4.36Å; L25-W228 HydrophobicContact CD2-CE3 4.04Å; L25-W228 HydrophobicContact CD2-CH2 3.2Å; L25-W228 HydrophobicContact CD2-CZ2 3.48Å; L25-W228 VanDerWaalsContact CD2-CZ2 3.48Å; L25-W228 HydrophobicContact CD2-CZ3 3.52Å; L25-W228 HydrophobicContact CG-CH2 3.49Å; L25-W228 VanDerWaalsContact CG-CH2 3.49Å; L25-W228 HydrophobicContact CG-CZ2 4.24Å; L25-W228 HydrophobicContact CG-CZ3 3.74Å; Y224-W228 PolarHBondContact O-N 3.45Å

Retrieved 228 of 228 residues in 288.6 ms (Link to these results)

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