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Superoxide dismutase [Cu-Zn]

Destroys radicals which are normally produced within the cells and which are toxic to biological systems.

AlphaFold DB , UniProt , Accession A0A077DB40, Species LARCR (Larimichthys crocea, Large yellow croaker), Gene SOD1, Length 154 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	76.8	Confident	95.7	Very high	213 Å²	213	65.5 Å²	65.5	100%	1.049	35%	0.348	S	S	*	.				0	136.6	0	-82.2	-175.5	-85.1	0	0	106.1	L3	M1-L3 PolarHBondContact O-N 2.93Å
2	V	91.7	Very high	95.2	Very high	78 Å²	78	75.3 Å²	75.3	47%	0.473	40%	0.4	S	S	.	.			trans	-64.2	124	174.9	-178	0	0	0	0	107.7	K4 E22 Q23	V2-K4 HydrophobicContact CG1-CG 4.19Å; V2-E22 HydrophobicContact CG1-CB 4.39Å; V2-Q23 CarbonylContact C-O 3.59Å; V2-Q23 WeakPolarHBondContact CA-O 3.34Å
3	L	97.6	Very high	95	Very high	53 Å²	53	73.8 Å²	73.8	28%	0.277	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	136.7	173.2	-56.5	175	0	0	0	108.1	M1 E22 Q23 L107 T108	M1-L3 PolarHBondContact O-N 2.93Å; L3-E22 WeakPolarHBondContact O-CA 3.34Å; L3-Q23 HydrophobicContact CB-CB 4.3Å; L3-Q23 PolarHBondContact N-O 2.93Å; L3-Q23 PolarHBondContact O-N 3.16Å; L3-L107 HydrophobicContact CB-CB 4.13Å; L3-L107 HydrophobicContact CB-CD1 4.04Å; L3-L107 HydrophobicContact CD1-CB 4.24Å; L3-T108 HydrophobicContact CD1-CG2 4.03Å
4	K	98.6	Very high	95	Very high	72 Å²	72	81.6 Å²	81.6	31%	0.313	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.3	-178.5	-60.3	-171.6	175.3	-149.1	0	111	V2 F21 E22 A153 Q154	V2-K4 HydrophobicContact CG1-CG 4.19Å; K4-F21 CarbonylContact C-O 3.58Å; K4-F21 WeakPolarHBondContact CA-O 3.09Å; K4-E22 WeakPolarHBondContact CE-OE1 2.72Å; K4-E22 HydrophobicContact CG-CG 4.23Å; K4-E22 IonicContact NZ-OE1 2.77Å; K4-E22 PolarHBondContact NZ-OE1 3.3Å; K4-A153 HydrophobicContact CB-CB 3.95Å; K4-A153 PolarHBondContact O-N 2.65Å; K4-Q154 WeakPolarHBondContact CD-O 3.17Å
5	A	98.8	Very high	95.2	Very high	2 Å²	2	77.3 Å²	77.3	2%	0.017	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	159.6	172.9	0	0	0	0	0	110.8	F21 L107 I114 I150 G151	A5-F21 HydrophobicContact CB-CB 3.98Å; A5-F21 HydrophobicContact CB-CD2 4.01Å; A5-F21 HydrophobicContact CB-CG 4.31Å; A5-F21 PolarHBondContact N-O 3.46Å; A5-F21 PolarHBondContact O-N 3.19Å; A5-L107 HydrophobicContact CB-CD1 4.25Å; A5-L107 HydrophobicContact CB-CD2 4.02Å; A5-I114 HydrophobicContact CB-CD1 3.43Å; A5-I114 VanDerWaalsContact CB-CD1 3.43Å; A5-I150 HydrophobicContact CB-CG2 3.78Å; A5-G151 CarbonylContact C-O 3.57Å; A5-G151 WeakPolarHBondContact CA-O 3.4Å; A5-G151 VanDerWaalsContact CB-O 3.28Å; A5-G151 WeakPolarHBondContact CB-O 3.16Å
6	V	98.9	Very high	95.5	Very high	42 Å²	42	73.8 Å²	73.8	26%	0.255	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	144.8	177.4	65.3	0	0	0	0	110.1	T18 V19 F20 G151 A153	V6-T18 HydrophobicContact CG2-CG2 3.72Å; V6-V19 CarbonylContact C-O 3.54Å; V6-V19 WeakPolarHBondContact CA-O 3.24Å; V6-F20 HydrophobicContact CB-CD1 4.27Å; V6-F20 HydrophobicContact CG2-CD1 3.8Å; V6-F20 HydrophobicContact CG2-CE1 3.72Å; V6-G151 PolarHBondContact N-O 3.13Å; V6-G151 PolarHBondContact O-N 3.45Å; V6-A153 HydrophobicContact CB-CB 4.14Å; V6-A153 HydrophobicContact CG1-CB 4.03Å
7	C	98.9	Very high	95.6	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.007	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	125.8	172.1	174.8	0	0	0	0	109.5	T18 V19 F21 M118 G148 I150	C7-T18 WeakPolarHBondContact O-CA 3.43Å; C7-V19 HydrophobicContact CB-CB 4.38Å; C7-V19 PolarHBondContact N-O 3.09Å; C7-V19 PolarHBondContact O-N 2.86Å; C7-F21 HydrophobicContact CB-CE2 3.96Å; C7-M118 HydrophobicContact CB-CB 4.38Å; C7-G148 VanDerWaalsContact SG-CA 3.58Å; C7-G148 PolarHBondContact SG-O 2.86Å; C7-I150 HydrophobicContact CB-CG1 4.07Å
8	V	98.9	Very high	95.8	Very high	77 Å²	77	69.1 Å²	69.1	47%	0.467	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.5	170.2	-179.9	0	0	0	0	108	K10 G148	V8-K10 HydrophobicContact CG1-CG 4.41Å; V8-G148 WeakPolarHBondContact O-CA 3.48Å
9	L	98.9	Very high	96	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.005	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	128.4	179.4	-62.5	173.4	0	0	0	109.9	G16 G17 V19 I36 F46 M118 I120 A146	L9-G16 VanDerWaalsContact O-CA 3.24Å; L9-G16 WeakPolarHBondContact O-CA 3.47Å; L9-G17 PolarHBondContact N-O 3.01Å; L9-G17 PolarHBondContact O-N 3.39Å; L9-G17 VanDerWaalsContact O-N 3.13Å; L9-V19 HydrophobicContact CD1-CG2 3.68Å; L9-V19 HydrophobicContact CG-CG2 4.15Å; L9-I36 HydrophobicContact CD1-CD1 3.52Å; L9-I36 HydrophobicContact CD1-CG1 3.88Å; L9-F46 HydrophobicContact CD1-CE2 4.26Å; L9-M118 HydrophobicContact CD2-CB 4.03Å; L9-M118 HydrophobicContact CD2-CG 4.01Å; L9-M118 WeakPolarHBondContact CD2-O 3.19Å; L9-I120 HydrophobicContact CD1-CG2 4.37Å; L9-A146 HydrophobicContact CB-CB 4.18Å
10	K	98.5	Very high	96.1	Very high	152 Å²	152	67 Å²	67	66%	0.661	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	148.7	171.1	-68	-170.8	176.5	-175.7	0	111	V8 A146 C147	V8-K10 HydrophobicContact CG1-CG 4.41Å; K10-A146 VanDerWaalsContact C-CB 3.48Å; K10-A146 WeakPolarHBondContact O-CA 3.43Å; K10-C147 PolarHBondContact N-O 3.18Å; K10-C147 PolarHBondContact O-N 2.8Å
11	G	95.3	Very high	96.3	Very high	30 Å²	30	63.8 Å²	63.8	31%	0.309	35%	0.354	S	S	.	.			trans	-135.3	-171	170.9	0	0	0	0	0	111.5	G13 L145	G11-G13 VanDerWaalsContact C-N 3.29Å; G11-L145 WeakPolarHBondContact CA-O 3.04Å
12	D	89.4	Confident	97.3	Very high	182 Å²	182	57.6 Å²	57.6	97%	0.973	32%	0.323	S	S	*	.	S	Bend	trans	-74.5	-22	177.7	-64.1	-28	0	0	0	112.7
13	G	93.2	Very high	97.6	Very high	57 Å²	57	54.1 Å²	54.1	59%	0.588	30%	0.301	S	S	*	.	S	Bend	trans	-99	-158.7	178.2	0	0	0	0	0	113.8	G11 V15	G11-G13 VanDerWaalsContact C-N 3.29Å; G13-V15 VanDerWaalsContact C-N 3.27Å; G13-V15 PolarHBondContact O-N 2.98Å
14	E	94.7	Very high	97.6	Very high	182 Å²	182	58.3 Å²	58.3	85%	0.85	32%	0.319	S	S	*	.	S	Bend	trans	-79.8	-7.6	-179.6	-59	-169.5	161.4	0	0	113.7	G16	E14-G16 PolarHBondContact O-N 2.86Å
15	V	98.6	Very high	97.4	Very high	17 Å²	17	58.5 Å²	58.5	10%	0.103	32%	0.324	C	S	.	.			trans	-69	121.8	-178.7	-178.2	0	0	0	0	109.9	G13 I36 K37 G38 L39 I120 L145 A146	G13-V15 VanDerWaalsContact C-N 3.27Å; G13-V15 PolarHBondContact O-N 2.98Å; V15-I36 HydrophobicContact CG1-CG2 4.02Å; V15-K37 WeakPolarHBondContact CA-O 2.99Å; V15-G38 VanDerWaalsContact CG2-O 3.3Å; V15-G38 WeakPolarHBondContact CG2-O 3.35Å; V15-L39 HydrophobicContact CG1-CD2 3.68Å; V15-L39 HydrophobicContact CG1-CG 4.34Å; V15-L39 HydrophobicContact CG2-CD2 4.21Å; V15-I120 HydrophobicContact CG1-CG2 4.05Å; V15-L145 HydrophobicContact CB-CB 4.25Å; V15-L145 HydrophobicContact CG1-CB 4.04Å; V15-L145 HydrophobicContact CG2-CB 4.17Å; V15-L145 HydrophobicContact CG2-CD1 4.21Å; V15-A146 HydrophobicContact CB-CB 4.25Å; V15-A146 HydrophobicContact CG1-CB 3.77Å
16	G	98.6	Very high	97	Very high	21 Å²	21	63.6 Å²	63.6	22%	0.216	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167	158.3	179.6	0	0	0	0	0	112.6	L9 E14 K37	L9-G16 VanDerWaalsContact O-CA 3.24Å; L9-G16 WeakPolarHBondContact O-CA 3.47Å; E14-G16 PolarHBondContact O-N 2.86Å; G16-K37 PolarHBondContact N-O 3.36Å; G16-K37 VanDerWaalsContact N-O 3.15Å; G16-K37 PolarHBondContact O-N 3.13Å
17	G	98.6	Very high	96.7	Very high	15 Å²	15	67 Å²	67	16%	0.155	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	177.5	-173.4	0	0	0	0	0	113.3	L9 E35	L9-G17 PolarHBondContact N-O 3.01Å; L9-G17 PolarHBondContact O-N 3.39Å; L9-G17 VanDerWaalsContact O-N 3.13Å; G17-E35 CarbonylContact C-O 3.59Å; G17-E35 WeakPolarHBondContact CA-O 3.24Å
18	T	98.9	Very high	96.6	Very high	49 Å²	49	67.7 Å²	67.7	30%	0.301	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133	171.1	-55.1	0	0	0	0	109.1	V6 C7 F20 G34 E35	V6-T18 HydrophobicContact CG2-CG2 3.72Å; C7-T18 WeakPolarHBondContact O-CA 3.43Å; T18-F20 HydrophobicContact CG2-CD2 4.44Å; T18-F20 HydrophobicContact CG2-CE1 3.86Å; T18-F20 HydrophobicContact CG2-CE2 3.75Å; T18-F20 HydrophobicContact CG2-CZ 3.42Å; T18-F20 VanDerWaalsContact CG2-CZ 3.42Å; T18-G34 VanDerWaalsContact O-CA 3.26Å; T18-G34 WeakPolarHBondContact O-CA 3.46Å; T18-E35 PolarHBondContact N-O 3.43Å; T18-E35 VanDerWaalsContact N-O 3.09Å; T18-E35 PolarHBondContact O-N 3.41Å; T18-E35 VanDerWaalsContact O-N 3.16Å
19	V	98.9	Very high	96.6	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	131.1	-179.6	-170.8	0	0	0	0	107.9	V6 C7 L9 F21 V32 T33 F46 I98	V6-V19 CarbonylContact C-O 3.54Å; V6-V19 WeakPolarHBondContact CA-O 3.24Å; C7-V19 HydrophobicContact CB-CB 4.38Å; C7-V19 PolarHBondContact N-O 3.09Å; C7-V19 PolarHBondContact O-N 2.86Å; L9-V19 HydrophobicContact CD1-CG2 3.68Å; L9-V19 HydrophobicContact CG-CG2 4.15Å; V19-F21 HydrophobicContact CB-CE2 4.1Å; V19-F21 HydrophobicContact CB-CZ 4.23Å; V19-F21 HydrophobicContact CG1-CE1 4.21Å; V19-F21 HydrophobicContact CG1-CE2 3.77Å; V19-F21 HydrophobicContact CG1-CZ 3.57Å; V19-V32 HydrophobicContact CG1-CG1 3.34Å; V19-T33 CarbonylContact C-O 3.59Å; V19-T33 WeakPolarHBondContact CA-O 3.37Å; V19-F46 HydrophobicContact CG1-CZ 4.11Å; V19-F46 HydrophobicContact CG2-CE2 4.44Å; V19-F46 HydrophobicContact CG2-CZ 4Å; V19-I98 HydrophobicContact CG1-CD1 4.24Å; V19-I98 HydrophobicContact CG2-CD1 3.75Å
20	F	98.9	Very high	96.5	Very high	95 Å²	95	66.8 Å²	66.8	42%	0.417	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142.9	178.3	-56.7	-82.2	0	0	0	109.4	V6 T18 V32 T33	V6-F20 HydrophobicContact CB-CD1 4.27Å; V6-F20 HydrophobicContact CG2-CD1 3.8Å; V6-F20 HydrophobicContact CG2-CE1 3.72Å; T18-F20 HydrophobicContact CG2-CD2 4.44Å; T18-F20 HydrophobicContact CG2-CE1 3.86Å; T18-F20 HydrophobicContact CG2-CE2 3.75Å; T18-F20 HydrophobicContact CG2-CZ 3.42Å; T18-F20 VanDerWaalsContact CG2-CZ 3.42Å; F20-V32 CarbonylContact O-C 3.54Å; F20-V32 VanDerWaalsContact O-CA 3.29Å; F20-V32 WeakPolarHBondContact O-CA 3.38Å; F20-T33 PolarHBondContact N-O 2.83Å; F20-T33 PolarHBondContact O-N 3.15Å
21	F	98.8	Very high	96.6	Very high	1 Å²	1	62.2 Å²	62.2	0%	0.004	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131	178.1	-50.4	-102.2	0	0	0	108.1	K4 A5 C7 V19 V30 T31 V32 I105 L107 I113 M118 I150	K4-F21 CarbonylContact C-O 3.58Å; K4-F21 WeakPolarHBondContact CA-O 3.09Å; A5-F21 HydrophobicContact CB-CB 3.98Å; A5-F21 HydrophobicContact CB-CD2 4.01Å; A5-F21 HydrophobicContact CB-CG 4.31Å; A5-F21 PolarHBondContact N-O 3.46Å; A5-F21 PolarHBondContact O-N 3.19Å; C7-F21 HydrophobicContact CB-CE2 3.96Å; V19-F21 HydrophobicContact CB-CE2 4.1Å; V19-F21 HydrophobicContact CB-CZ 4.23Å; V19-F21 HydrophobicContact CG1-CE1 4.21Å; V19-F21 HydrophobicContact CG1-CE2 3.77Å; V19-F21 HydrophobicContact CG1-CZ 3.57Å; F21-V30 HydrophobicContact CB-CG1 3.94Å; F21-V30 HydrophobicContact CD1-CG1 4.23Å; F21-T31 CarbonylContact C-O 3.57Å; F21-T31 WeakPolarHBondContact CA-O 3.43Å; F21-V32 HydrophobicContact CD1-CB 4.38Å; F21-V32 HydrophobicContact CD1-CG1 3.96Å; F21-V32 HydrophobicContact CD1-CG2 3.73Å; F21-V32 HydrophobicContact CE1-CG1 3.73Å; F21-V32 HydrophobicContact CE1-CG2 4Å; F21-V32 HydrophobicContact CZ-CG1 4.28Å; F21-I105 HydrophobicContact CD1-CD1 4.32Å; F21-L107 HydrophobicContact CB-CD1 4.11Å; F21-L107 HydrophobicContact CB-CD2 3.94Å; F21-I113 HydrophobicContact CD1-CD1 3.85Å; F21-I113 HydrophobicContact CE1-CD1 3.94Å; F21-M118 HydrophobicContact CE1-CE 3.55Å; F21-M118 HydrophobicContact CZ-CE 3.46Å; F21-M118 VanDerWaalsContact CZ-CE 3.46Å; F21-I150 HydrophobicContact CD2-CG2 4.13Å; F21-I150 HydrophobicContact CE2-CG1 4.3Å; F21-I150 HydrophobicContact CE2-CG2 4.01Å; F21-I150 HydrophobicContact CZ-CD1 4.17Å; F21-I150 HydrophobicContact CZ-CG1 4.29Å
22	E	98.6	Very high	96.7	Very high	83 Å²	83	60.8 Å²	60.8	39%	0.388	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.7	174.7	-60.1	-163.6	147.9	0	0	110	V2 L3 K4 V30 T31	V2-E22 HydrophobicContact CG1-CB 4.39Å; L3-E22 WeakPolarHBondContact O-CA 3.34Å; K4-E22 WeakPolarHBondContact CE-OE1 2.72Å; K4-E22 HydrophobicContact CG-CG 4.23Å; K4-E22 IonicContact NZ-OE1 2.77Å; K4-E22 PolarHBondContact NZ-OE1 3.3Å; E22-V30 WeakPolarHBondContact O-CA 3.3Å; E22-T31 PolarHBondContact N-O 3.29Å; E22-T31 PolarHBondContact O-N 2.77Å
23	Q	98.4	Very high	97.2	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.019	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	116.9	178	-168.9	-178.4	16	0	0	109.2	V2 L3 N25 A28 V30 T106 L107	V2-Q23 CarbonylContact C-O 3.59Å; V2-Q23 WeakPolarHBondContact CA-O 3.34Å; L3-Q23 HydrophobicContact CB-CB 4.3Å; L3-Q23 PolarHBondContact N-O 2.93Å; L3-Q23 PolarHBondContact O-N 3.16Å; Q23-N25 VanDerWaalsContact C-N 3.31Å; Q23-N25 WeakPolarHBondContact CG-O 3.26Å; Q23-N25 PolarHBondContact NE2-O 3.34Å; Q23-N25 PolarHBondContact O-N 2.84Å; Q23-A28 HydrophobicContact CG-CB 4.4Å; Q23-A28 WeakPolarHBondContact CG-O 3.35Å; Q23-A28 PolarHBondContact NE2-O 2.93Å; Q23-V30 HydrophobicContact CB-CG2 4.13Å; Q23-V30 HydrophobicContact CG-CG2 4.07Å; Q23-T106 PolarHBondContact NE2-OG1 2.82Å; Q23-T106 PolarHBondContact OE1-OG1 3.31Å; Q23-L107 HydrophobicContact CB-CD1 3.93Å; Q23-L107 HydrophobicContact CB-CG 4.13Å
24	E	96.9	Very high	97.4	Very high	141 Å²	141	53 Å²	53	66%	0.659	30%	0.301	S	S	*	.	S	Bend	trans	-63.6	-37.3	-171.9	-65.7	-172.1	162.6	0	0	113.5	A28	E24-A28 HydrophobicContact CB-CB 3.96Å
25	N	94.4	Very high	97.6	Very high	76 Å²	76	47.6 Å²	47.6	41%	0.406	28%	0.275	S	S	.	.	S	Bend	trans	-162.1	171.5	177.9	62.3	75.8	0	0	0	109.9	Q23 S27 A28	Q23-N25 VanDerWaalsContact C-N 3.31Å; Q23-N25 WeakPolarHBondContact CG-O 3.26Å; Q23-N25 PolarHBondContact NE2-O 3.34Å; Q23-N25 PolarHBondContact O-N 2.84Å; N25-S27 PolarHBondContact O-N 3.3Å; N25-S27 PolarHBondContact OD1-N 2.99Å; N25-A28 WeakPolarHBondContact O-CB 3.42Å; N25-A28 PolarHBondContact O-N 3.39Å; N25-A28 PolarHBondContact OD1-N 2.85Å
26	D	91.3	Very high	97.6	Very high	109 Å²	109	46.8 Å²	46.8	58%	0.583	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-20.2	-174.6	-60.7	7.4	0	0	0	115.3	T108	D26-T108 HydrophobicContact CB-CG2 4.04Å
27	S	91.7	Very high	97.6	Very high	114 Å²	114	51.3 Å²	51.3	80%	0.797	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-5.6	178.5	-55.1	0	0	0	0	113.6	N25	N25-S27 PolarHBondContact O-N 3.3Å; N25-S27 PolarHBondContact OD1-N 2.99Å
28	A	96.9	Very high	97.6	Very high	15 Å²	15	52 Å²	52	12%	0.124	29%	0.29	C	S	.	.	S	Bend	trans	-80.5	148.4	179.1	0	0	0	0	0	110.9	Q23 E24 N25	Q23-A28 HydrophobicContact CG-CB 4.4Å; Q23-A28 WeakPolarHBondContact CG-O 3.35Å; Q23-A28 PolarHBondContact NE2-O 2.93Å; E24-A28 HydrophobicContact CB-CB 3.96Å; N25-A28 WeakPolarHBondContact O-CB 3.42Å; N25-A28 PolarHBondContact O-N 3.39Å; N25-A28 PolarHBondContact OD1-N 2.85Å
29	P	98.1	Very high	97.6	Very high	59 Å²	59	49.7 Å²	49.7	38%	0.383	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-57.1	157.1	165.6	-20.8	32.3	0	0	0	111.5	T101 D102	P29-T101 HydrophobicContact CB-CG2 3.67Å; P29-T101 HydrophobicContact CG-CG2 4.44Å; P29-D102 CarbonylContact C-O 3.59Å; P29-D102 WeakPolarHBondContact CA-O 3.35Å; P29-D102 WeakPolarHBondContact CB-O 3.4Å
30	V	98.7	Very high	97.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.9	171.5	-177	0	0	0	0	108.9	F21 E22 Q23 V32 T101 D102 I105 L107	F21-V30 HydrophobicContact CB-CG1 3.94Å; F21-V30 HydrophobicContact CD1-CG1 4.23Å; E22-V30 WeakPolarHBondContact O-CA 3.3Å; Q23-V30 HydrophobicContact CB-CG2 4.13Å; Q23-V30 HydrophobicContact CG-CG2 4.07Å; V30-V32 HydrophobicContact CG1-CG2 4.23Å; V30-T101 WeakPolarHBondContact O-CA 3.35Å; V30-D102 PolarHBondContact N-O 3.1Å; V30-D102 PolarHBondContact O-N 2.98Å; V30-I105 HydrophobicContact CB-CD1 3.73Å; V30-I105 HydrophobicContact CB-CG1 3.77Å; V30-I105 HydrophobicContact CG1-CD1 3.74Å; V30-I105 HydrophobicContact CG1-CG1 4.31Å; V30-I105 HydrophobicContact CG2-CD1 4.21Å; V30-I105 HydrophobicContact CG2-CG1 3.88Å; V30-I105 WeakPolarHBondContact CG2-O 3.48Å; V30-L107 HydrophobicContact CG1-CD2 4.49Å; V30-L107 HydrophobicContact CG1-CG 4.49Å; V30-L107 HydrophobicContact CG2-CG 4.34Å
31	T	98.7	Very high	97.5	Very high	57 Å²	57	55.1 Å²	55.1	35%	0.35	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.7	167.9	-62.5	0	0	0	0	109.2	F21 E22 T33 I100	F21-T31 CarbonylContact C-O 3.57Å; F21-T31 WeakPolarHBondContact CA-O 3.43Å; E22-T31 PolarHBondContact N-O 3.29Å; E22-T31 PolarHBondContact O-N 2.77Å; T31-T33 HydrophobicContact CG2-CG2 4Å; T31-I100 CarbonylContact C-O 3.55Å; T31-I100 WeakPolarHBondContact CA-O 3.36Å
32	V	98.9	Very high	97.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.5	178.6	-167.7	0	0	0	0	108.8	V19 F20 F21 V30 F46 I98 S99 I100 I105	V19-V32 HydrophobicContact CG1-CG1 3.34Å; F20-V32 CarbonylContact O-C 3.54Å; F20-V32 VanDerWaalsContact O-CA 3.29Å; F20-V32 WeakPolarHBondContact O-CA 3.38Å; F21-V32 HydrophobicContact CD1-CB 4.38Å; F21-V32 HydrophobicContact CD1-CG1 3.96Å; F21-V32 HydrophobicContact CD1-CG2 3.73Å; F21-V32 HydrophobicContact CE1-CG1 3.73Å; F21-V32 HydrophobicContact CE1-CG2 4Å; F21-V32 HydrophobicContact CZ-CG1 4.28Å; V30-V32 HydrophobicContact CG1-CG2 4.23Å; V32-F46 HydrophobicContact CG1-CE1 4.49Å; V32-I98 HydrophobicContact CG1-CG2 4.08Å; V32-S99 WeakPolarHBondContact O-CA 3.36Å; V32-I100 HydrophobicContact CB-CB 4.18Å; V32-I100 PolarHBondContact N-O 3.08Å; V32-I100 PolarHBondContact O-N 3.25Å; V32-I105 HydrophobicContact CG2-CD1 3.89Å
33	T	98.9	Very high	97.5	Very high	54 Å²	54	56.1 Å²	56.1	33%	0.331	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	160.4	-178.4	53.4	0	0	0	0	110.6	V19 F20 T31 I98	V19-T33 CarbonylContact C-O 3.59Å; V19-T33 WeakPolarHBondContact CA-O 3.37Å; F20-T33 PolarHBondContact N-O 2.83Å; F20-T33 PolarHBondContact O-N 3.15Å; T31-T33 HydrophobicContact CG2-CG2 4Å; T33-I98 WeakPolarHBondContact CA-O 3.3Å
34	G	98.6	Very high	97.6	Very high	22 Å²	22	56.3 Å²	56.3	23%	0.227	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	149.7	-165.8	176.5	0	0	0	0	0	113.8	T18 I98	T18-G34 VanDerWaalsContact O-CA 3.26Å; T18-G34 WeakPolarHBondContact O-CA 3.46Å; G34-I98 PolarHBondContact N-O 3.44Å; G34-I98 PolarHBondContact O-N 2.04Å
35	E	98.6	Very high	97.7	Very high	67 Å²	67	49.6 Å²	49.6	31%	0.313	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	136.9	-178.9	-168.1	173.8	106.8	0	0	110.4	G17 T18 K37 V95 A96	G17-E35 CarbonylContact C-O 3.59Å; G17-E35 WeakPolarHBondContact CA-O 3.24Å; T18-E35 PolarHBondContact N-O 3.43Å; T18-E35 VanDerWaalsContact N-O 3.09Å; T18-E35 PolarHBondContact O-N 3.41Å; T18-E35 VanDerWaalsContact O-N 3.16Å; E35-K37 WeakPolarHBondContact OE1-CE 2.98Å; E35-K37 IonicContact OE1-NZ 3.46Å; E35-K37 PolarHBondContact OE1-NZ 2.88Å; E35-V95 HydrophobicContact CG-CG1 3.25Å; E35-A96 WeakPolarHBondContact CA-O 3.48Å
36	I	98.8	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.8	173.4	-49.8	177.1	0	0	0	107.9	L9 V15 L39 F46 V88 V95 A96 I98 I120	L9-I36 HydrophobicContact CD1-CD1 3.52Å; L9-I36 HydrophobicContact CD1-CG1 3.88Å; V15-I36 HydrophobicContact CG1-CG2 4.02Å; I36-L39 HydrophobicContact CB-CD1 3.95Å; I36-L39 HydrophobicContact CG2-CD1 3.77Å; I36-L39 HydrophobicContact CG2-CD2 4.4Å; I36-L39 HydrophobicContact CG2-CG 3.97Å; I36-F46 HydrophobicContact CD1-CD2 4.44Å; I36-F46 HydrophobicContact CD1-CE2 4.01Å; I36-V88 HydrophobicContact CD1-CG2 4.4Å; I36-V95 CarbonylContact O-C 3.59Å; I36-V95 WeakPolarHBondContact O-CA 3.34Å; I36-A96 PolarHBondContact N-O 3.31Å; I36-A96 PolarHBondContact O-N 3.05Å; I36-I98 HydrophobicContact CD1-CD1 3.94Å; I36-I98 HydrophobicContact CG1-CD1 3.91Å; I36-I120 HydrophobicContact CD1-CB 4.1Å; I36-I120 HydrophobicContact CD1-CD1 4.06Å; I36-I120 HydrophobicContact CD1-CG1 4Å; I36-I120 HydrophobicContact CD1-CG2 4.45Å
37	K	98.7	Very high	98.2	Very high	117 Å²	117	40.8 Å²	40.8	51%	0.509	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	161.7	-179.9	-58.1	-174.2	175.9	-179.8	0	110.8	V15 G16 E35 L39 N94 V95	V15-K37 WeakPolarHBondContact CA-O 2.99Å; G16-K37 PolarHBondContact N-O 3.36Å; G16-K37 VanDerWaalsContact N-O 3.15Å; G16-K37 PolarHBondContact O-N 3.13Å; E35-K37 WeakPolarHBondContact OE1-CE 2.98Å; E35-K37 IonicContact OE1-NZ 3.46Å; E35-K37 PolarHBondContact OE1-NZ 2.88Å; K37-L39 VanDerWaalsContact C-N 3.31Å; K37-N94 CarbonylContact C-O 3.05Å; K37-N94 WeakPolarHBondContact CA-O 3.23Å; K37-V95 HydrophobicContact CG-CG1 4.47Å; K37-V95 HydrophobicContact CG-CG2 4.1Å
38	G	98.2	Very high	98.6	Very high	28 Å²	28	35.4 Å²	35.4	29%	0.289	21%	0.209	S	C	.	.	S	Bend	trans	80.9	10.5	175.4	0	0	0	0	0	113.9	V15 N94	V15-G38 VanDerWaalsContact CG2-O 3.3Å; V15-G38 WeakPolarHBondContact CG2-O 3.35Å; G38-N94 PolarHBondContact N-O 3.17Å
39	L	98.4	Very high	98.7	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-79.6	151	176.2	-67.3	173	0	0	0	110.5	V15 I36 K37 A90 N94 A96 I120 L145	V15-L39 HydrophobicContact CG1-CD2 3.68Å; V15-L39 HydrophobicContact CG1-CG 4.34Å; V15-L39 HydrophobicContact CG2-CD2 4.21Å; I36-L39 HydrophobicContact CB-CD1 3.95Å; I36-L39 HydrophobicContact CG2-CD1 3.77Å; I36-L39 HydrophobicContact CG2-CD2 4.4Å; I36-L39 HydrophobicContact CG2-CG 3.97Å; K37-L39 VanDerWaalsContact C-N 3.31Å; L39-A90 HydrophobicContact CB-CB 3.63Å; L39-A90 HydrophobicContact CD1-CB 4.13Å; L39-N94 PolarHBondContact N-O 2.88Å; L39-N94 VanDerWaalsContact O-CA 3.24Å; L39-N94 WeakPolarHBondContact O-CA 3.39Å; L39-N94 WeakPolarHBondContact O-CB 3.43Å; L39-N94 VanDerWaalsContact O-CG 3.23Å; L39-N94 PolarHBondContact O-OD1 3.21Å; L39-A96 HydrophobicContact CD1-CB 3.68Å; L39-I120 HydrophobicContact CD1-CG1 4.33Å; L39-I120 HydrophobicContact CD2-CG1 3.95Å; L39-L145 HydrophobicContact CD2-CD1 3.69Å
40	Q	98.1	Very high	98.7	Very high	136 Å²	136	32.6 Å²	32.6	64%	0.636	19%	0.191	S	C	*	.	P	Polyproline II helix	trans	-70.5	151.4	166.9	-68.7	-61.4	-48.1	0	0	109.4	G42 H44 A90	Q40-G42 PolarHBondContact O-N 3.09Å; Q40-H44 PolarHBondContact O-NE2 2.91Å; Q40-A90 WeakPolarHBondContact O-CB 3.4Å
41	P	98.6	Very high	98.7	Very high	74 Å²	74	38.1 Å²	38.1	48%	0.481	22%	0.215	S	C	.	.	S	Bend	trans	-60.9	133.9	176.8	-23.6	34.7	0	0	0	111.6	A90 N94	P41-A90 WeakPolarHBondContact CA-O 3.46Å; P41-N94 WeakPolarHBondContact CD-OD1 3.48Å
42	G	98.7	Very high	98.7	Very high	30 Å²	30	37.1 Å²	37.1	31%	0.309	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	129.1	-171	-178.5	0	0	0	0	0	113.9	Q40 H44 T89 A90	Q40-G42 PolarHBondContact O-N 3.09Å; G42-H44 PolarHBondContact O-CD2 3.49Å; G42-T89 CarbonylContact O-C 3.54Å; G42-T89 WeakPolarHBondContact O-CA 3.25Å; G42-A90 PolarHBondContact N-O 2.93Å; G42-A90 PolarHBondContact O-N 3.22Å
43	D	98.8	Very high	98.7	Very high	75 Å²	75	40.1 Å²	40.1	40%	0.401	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	139.7	-179	-70.3	-21.6	0	0	0	111.7	N87 T89 K123 A124	D43-N87 HydrophobicContact CB-CB 4.06Å; D43-T89 WeakPolarHBondContact OD1-CB 3.41Å; D43-T89 WeakPolarHBondContact OD1-CG2 3.39Å; D43-T89 PolarHBondContact OD1-OG1 3.28Å; D43-K123 CarbonylContact O-C 3.59Å; D43-A124 HydrophobicContact CB-CB 3.8Å; D43-A124 WeakPolarHBondContact O-CA 3.41Å; D43-A124 PolarHBondContact O-N 3.44Å; D43-A124 VanDerWaalsContact O-N 3.1Å
44	H	98.9	Very high	98.7	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.037	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	126.4	179.5	-72.3	-86.2	0	0	0	110.3	Q40 G42 N87 V88 I120 H121 E122	Q40-H44 PolarHBondContact O-NE2 2.91Å; G42-H44 PolarHBondContact O-CD2 3.49Å; H44-N87 VanDerWaalsContact C-OD1 3.23Å; H44-N87 VanDerWaalsContact O-CA 3.3Å; H44-N87 WeakPolarHBondContact O-CA 3.28Å; H44-N87 PolarHBondContact O-OD1 3.36Å; H44-V88 HydrophobicContact CB-CG2 4.42Å; H44-V88 PolarHBondContact N-O 3.02Å; H44-V88 PolarHBondContact O-N 3.37Å; H44-I120 HydrophobicContact CB-CD1 3.51Å; H44-I120 HydrophobicContact CB-CG1 4.16Å; H44-H121 WeakPolarHBondContact CB-O 3.42Å; H44-H121 PolarHBondContact ND1-O 2.84Å; H44-E122 PolarHBondContact CE1-O 3.13Å; H44-E122 PolarHBondContact ND1-O 2.65Å
45	G	98.9	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	136.7	177.4	0	0	0	0	0	111.8	G86 N87 H121 K123	G45-G86 CarbonylContact C-O 3.58Å; G45-G86 WeakPolarHBondContact CA-O 3.26Å; G45-N87 WeakPolarHBondContact CA-OD1 3.41Å; G45-N87 PolarHBondContact N-OD1 2.84Å; G45-H121 WeakPolarHBondContact O-CB 3.18Å; G45-H121 PolarHBondContact O-CD2 2.68Å; G45-H121 PolarHBondContact O-N 2.93Å; G45-K123 PolarHBondContact N-O 2.86Å
46	F	98.9	Very high	98.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	110.8	-169.2	-170.4	-121.4	0	0	0	110.1	L9 V19 V32 I36 L85 G86 V88 I98 I100 M118 I120	L9-F46 HydrophobicContact CD1-CE2 4.26Å; V19-F46 HydrophobicContact CG1-CZ 4.11Å; V19-F46 HydrophobicContact CG2-CE2 4.44Å; V19-F46 HydrophobicContact CG2-CZ 4Å; V32-F46 HydrophobicContact CG1-CE1 4.49Å; I36-F46 HydrophobicContact CD1-CD2 4.44Å; I36-F46 HydrophobicContact CD1-CE2 4.01Å; F46-L85 HydrophobicContact CD1-CB 4.14Å; F46-L85 HydrophobicContact CD1-CD1 4.14Å; F46-L85 HydrophobicContact CE1-CD1 4.12Å; F46-L85 WeakPolarHBondContact O-CB 3.34Å; F46-L85 PolarHBondContact O-N 2.94Å; F46-G86 PolarHBondContact N-O 3.11Å; F46-V88 HydrophobicContact CB-CG1 4.1Å; F46-V88 HydrophobicContact CB-CG2 4.45Å; F46-V88 HydrophobicContact CD1-CG1 3.83Å; F46-V88 HydrophobicContact CE1-CG1 4.37Å; F46-V88 HydrophobicContact CG-CG1 3.92Å; F46-I98 HydrophobicContact CE1-CD1 4.38Å; F46-I98 HydrophobicContact CE1-CG2 4.5Å; F46-I98 HydrophobicContact CE2-CD1 4.47Å; F46-I98 HydrophobicContact CZ-CD1 3.92Å; F46-I100 HydrophobicContact CD1-CD1 4.09Å; F46-I100 HydrophobicContact CE1-CD1 4.34Å; F46-M118 HydrophobicContact CD1-SD 4.23Å; F46-M118 HydrophobicContact CD2-CG 4.37Å; F46-M118 HydrophobicContact CD2-SD 3.97Å; F46-M118 HydrophobicContact CE1-CE 4.03Å; F46-M118 HydrophobicContact CE1-SD 3.83Å; F46-M118 HydrophobicContact CE2-CG 3.52Å; F46-M118 HydrophobicContact CE2-SD 3.54Å; F46-M118 VanDerWaalsContact CE2-SD 3.54Å; F46-M118 HydrophobicContact CG-SD 4.31Å; F46-M118 HydrophobicContact CZ-CE 3.95Å; F46-M118 HydrophobicContact CZ-CG 3.64Å; F46-M118 HydrophobicContact CZ-SD 3.46Å; F46-M118 WeakPolarHBondContact CZ-SD 3.43Å; F46-I120 HydrophobicContact CB-CD1 4.32Å; F46-I120 HydrophobicContact CD2-CB 4.28Å; F46-I120 HydrophobicContact CD2-CD1 3.88Å
47	H	98.9	Very high	98.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	147.9	-166.8	-45.6	115.8	0	0	0	113.3	H64 H72 G83 M118 V119 H121 D125	H47-H64 AromaticContact CD2-CE1 3.65Å; H47-H64 AromaticContact CE1-CE1 3.53Å; H47-H64 AromaticContact CE1-NE2 3.82Å; H47-H64 AromaticContact CG-CE1 3.52Å; H47-H64 AromaticContact CG-ND1 3.95Å; H47-H64 AromaticContact CG-NE2 3.74Å; H47-H64 AromaticContact ND1-CE1 3.44Å; H47-H64 PolarHBondContact ND1-CE1 2.83Å; H47-H64 AromaticContact ND1-NE2 3.41Å; H47-H64 PolarHBondContact ND1-NE2 2.79Å; H47-H64 AromaticContact NE2-CE1 3.66Å; H47-H72 AromaticContact NE2-CE1 3.95Å; H47-G83 CarbonylContact C-O 3.57Å; H47-G83 VanDerWaalsContact CA-O 3.24Å; H47-G83 WeakPolarHBondContact CA-O 3.28Å; H47-M118 VanDerWaalsContact C-SD 3.59Å; H47-V119 PolarHBondContact N-O 3.2Å; H47-V119 PolarHBondContact O-N 2.97Å; H47-H121 AromaticContact CE1-CD2 3.8Å; H47-H121 AromaticContact CE1-NE2 3.92Å; H47-H121 AromaticContact ND1-CD2 3.22Å; H47-H121 PolarHBondContact ND1-CD2 3.05Å; H47-H121 AromaticContact ND1-NE2 3.1Å; H47-H121 PolarHBondContact ND1-NE2 2.82Å; H47-D125 IonicContact CE1-OD2 4Å; H47-D125 IonicContact NE2-OD2 3.99Å; H47-D125 PolarHBondContact NE2-OD2 2.76Å
48	V	98.9	Very high	98.5	Very high	0 Å²	0	44 Å²	44	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.1	161	-176.3	0	0	0	0	108.9	F65 G83 L85 I113 R116 T117 M118 I150	V48-F65 HydrophobicContact CG1-CB 4.21Å; V48-F65 WeakPolarHBondContact O-CB 3.12Å; V48-F65 PolarHBondContact O-N 3.08Å; V48-G83 PolarHBondContact N-O 3.28Å; V48-L85 HydrophobicContact CG2-CD1 4.44Å; V48-I113 HydrophobicContact CG1-CB 4.08Å; V48-I113 HydrophobicContact CG1-CG2 4.06Å; V48-I113 HydrophobicContact CG2-CB 4.48Å; V48-I113 HydrophobicContact CG2-CD1 4.37Å; V48-I113 HydrophobicContact CG2-CG2 4.27Å; V48-R116 HydrophobicContact CG1-CB 3.7Å; V48-R116 HydrophobicContact CG1-CG 4.49Å; V48-T117 CarbonylContact C-O 3.59Å; V48-T117 WeakPolarHBondContact CA-O 3.4Å; V48-M118 HydrophobicContact CG2-CE 3.53Å; V48-M118 HydrophobicContact CG2-SD 4.26Å; V48-I150 HydrophobicContact CG1-CD1 4.12Å; V48-I150 HydrophobicContact CG2-CD1 4.08Å
49	H	98.9	Very high	98.5	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	155.4	175.2	-78.9	-113.4	0	0	0	111.9	F51 A61 G62 P63 H64 R116 T117 V119 H121	H49-F51 PolarHBondContact O-N 2.9Å; H49-A61 HydrophobicContact CB-CB 3.75Å; H49-G62 PolarHBondContact ND1-O 3.35Å; H49-P63 CarbonylContact C-O 3.56Å; H49-P63 VanDerWaalsContact CA-O 3.29Å; H49-P63 WeakPolarHBondContact CA-O 3.44Å; H49-P63 WeakPolarHBondContact CB-O 3.47Å; H49-P63 PolarHBondContact ND1-O 3.13Å; H49-H64 AromaticContact CE1-CD2 3.63Å; H49-H64 AromaticContact NE2-CD2 3.63Å; H49-R116 WeakPolarHBondContact O-CB 3.34Å; H49-T117 PolarHBondContact N-O 3.46Å; H49-T117 PolarHBondContact O-N 2.84Å; H49-V119 HydrophobicContact CB-CG2 4.14Å; H49-V119 WeakPolarHBondContact CD2-CG2 3.44Å; H49-H121 AromaticContact NE2-CE1 3.9Å; H49-H121 AromaticContact NE2-NE2 3.28Å; H49-H121 PolarHBondContact NE2-NE2 2.87Å
50	A	98.8	Very high	98.5	Very high	14 Å²	14	49.8 Å²	49.8	12%	0.116	29%	0.293	C	S	.	.	S	Bend	trans	-61.8	-37.5	-165.2	0	0	0	0	0	114.4	A61 P63 R116	A50-A61 PolarHBondContact N-O 3.07Å; A50-P63 HydrophobicContact CB-CG 4.39Å; A50-P63 PolarHBondContact N-O 2.89Å; A50-R116 PolarHBondContact O-NH1 2.83Å
51	F	98.8	Very high	98.5	Very high	115 Å²	115	43.3 Å²	43.3	50%	0.504	26%	0.263	S	S	.	.			trans	-114.2	135.8	-170.6	-49.2	-56.6	0	0	0	111.7	H49 D53 A61 T117	H49-F51 PolarHBondContact O-N 2.9Å; F51-D53 HydrophobicContact CB-CB 4.1Å; F51-D53 PolarHBondContact O-N 3.19Å; F51-A61 WeakPolarHBondContact CD2-O 3.28Å; F51-A61 PolarHBondContact N-O 3.21Å; F51-A61 WeakPolarHBondContact O-CA 3.48Å; F51-T117 WeakPolarHBondContact O-CB 3.35Å; F51-T117 PolarHBondContact O-OG1 2.87Å
52	G	98.7	Very high	98.5	Very high	36 Å²	36	40.6 Å²	40.6	37%	0.371	25%	0.248	S	C	.	.			trans	-76.3	37.3	165.1	0	0	0	0	0	113.1	G115 T117	G52-G115 WeakPolarHBondContact CA-O 3.42Å; G52-G115 PolarHBondContact N-O 3.3Å; G52-T117 WeakPolarHBondContact CA-OG1 3.33Å
53	D	98.8	Very high	98.5	Very high	64 Å²	64	43.2 Å²	43.2	34%	0.342	26%	0.26	S	S	.	.			trans	-106.5	115.9	-178	-173.9	-13.8	0	0	0	109.1	F51 T55 S60 A61	F51-D53 HydrophobicContact CB-CB 4.1Å; F51-D53 PolarHBondContact O-N 3.19Å; D53-T55 VanDerWaalsContact OD1-CB 3.23Å; D53-T55 WeakPolarHBondContact OD1-CB 3.13Å; D53-T55 WeakPolarHBondContact OD1-CG2 3.47Å; D53-T55 PolarHBondContact OD1-N 2.92Å; D53-T55 PolarHBondContact OD1-OG1 2.92Å; D53-S60 CarbonylContact O-C 3.49Å; D53-S60 WeakPolarHBondContact O-CB 3.32Å; D53-S60 WeakPolarHBondContact OD1-CB 3.38Å; D53-A61 PolarHBondContact O-N 2.77Å
54	N	97.9	Very high	98.5	Very high	57 Å²	57	40.1 Å²	40.1	31%	0.305	24%	0.243	S	C	.	.			trans	-118.1	21.3	177.2	-69.3	33.8	0	0	0	111.7	N56 G57 T117 C147	N54-N56 PolarHBondContact O-N 2.77Å; N54-G57 WeakPolarHBondContact CA-O 3.46Å; N54-G57 PolarHBondContact O-N 3.45Å; N54-G57 VanDerWaalsContact O-N 3.08Å; N54-T117 PolarHBondContact OD1-OG1 2.99Å; N54-T117 VanDerWaalsContact OD1-OG1 3.07Å; N54-C147 PolarHBondContact ND2-SG 3.25Å; N54-C147 VanDerWaalsContact ND2-SG 3.44Å
55	T	98.3	Very high	98.5	Very high	121 Å²	121	40.2 Å²	40.2	74%	0.742	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.1	-177	50.8	0	0	0	0	114	D53 S60	D53-T55 VanDerWaalsContact OD1-CB 3.23Å; D53-T55 WeakPolarHBondContact OD1-CB 3.13Å; D53-T55 WeakPolarHBondContact OD1-CG2 3.47Å; D53-T55 PolarHBondContact OD1-N 2.92Å; D53-T55 PolarHBondContact OD1-OG1 2.92Å; T55-S60 PolarHBondContact OG1-OG 3.02Å; T55-S60 VanDerWaalsContact OG1-OG 3.14Å
56	N	97.3	Very high	98.5	Very high	111 Å²	111	42.2 Å²	42.2	59%	0.594	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	47.3	172.1	-168.7	31.8	0	0	0	110.2	N54 S60	N54-N56 PolarHBondContact O-N 2.77Å; N56-S60 VanDerWaalsContact CB-OG 3.29Å; N56-S60 WeakPolarHBondContact CB-OG 3.34Å; N56-S60 PolarHBondContact N-OG 3.14Å
57	G	97.6	Very high	98.5	Very high	37 Å²	37	45 Å²	45	38%	0.381	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	61.5	-151.4	-174.5	0	0	0	0	0	112	N54 I59 S60	N54-G57 WeakPolarHBondContact CA-O 3.46Å; N54-G57 PolarHBondContact O-N 3.45Å; N54-G57 VanDerWaalsContact O-N 3.08Å; G57-I59 PolarHBondContact O-N 2.89Å; G57-I59 VanDerWaalsContact O-N 3.13Å; G57-S60 PolarHBondContact O-N 2.85Å
58	C	98.3	Very high	98.4	Very high	16 Å²	16	49.7 Å²	49.7	11%	0.108	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-66.8	-16.7	-174.3	-54.7	0	0	0	0	114	S60 A61 R144 C147	C58-S60 VanDerWaalsContact C-N 3.34Å; C58-A61 WeakPolarHBondContact O-CB 3.29Å; C58-A61 PolarHBondContact O-N 2.84Å; C58-R144 HydrophobicContact CB-CB 3.69Å; C58-R144 HydrophobicContact CB-CG 4.39Å; C58-R144 VanDerWaalsContact O-CD 3.28Å; C58-R144 WeakPolarHBondContact O-CD 3.17Å; C58-R144 PolarHBondContact O-NH1 2.62Å; C58-C147 WeakPolarHBondContact CA-SG 3.44Å; C58-C147 HydrophobicContact CB-CB 3.74Å; C58-C147 WeakPolarHBondContact CB-SG 3.3Å; C58-C147 WeakPolarHBondContact SG-CB 3.42Å; C58-C147 PolarHBondContact SG-N 2.62Å; C58-C147 VanDerWaalsContact SG-N 3.41Å; C58-C147 CovalentContact SG-SG 2.04Å; C58-C147 PolarHBondContact SG-SG 3.32Å
59	I	97.6	Very high	98.4	Very high	122 Å²	122	56.6 Å²	56.6	63%	0.626	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-64.6	-40.2	179.9	-63.8	173.6	0	0	0	110.7	G57 A61 G62 R144	G57-I59 PolarHBondContact O-N 2.89Å; G57-I59 VanDerWaalsContact O-N 3.13Å; I59-A61 PolarHBondContact O-N 3.19Å; I59-A61 VanDerWaalsContact O-N 3.09Å; I59-G62 PolarHBondContact O-N 2.97Å; I59-R144 PolarHBondContact O-NH1 3.11Å
60	S	98.6	Very high	98.3	Very high	28 Å²	28	60 Å²	60	20%	0.196	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-62.5	-17.5	-178.9	-70.6	0	0	0	0	113.9	D53 T55 N56 G57 C58 G62	D53-S60 CarbonylContact O-C 3.49Å; D53-S60 WeakPolarHBondContact O-CB 3.32Å; D53-S60 WeakPolarHBondContact OD1-CB 3.38Å; T55-S60 PolarHBondContact OG1-OG 3.02Å; T55-S60 VanDerWaalsContact OG1-OG 3.14Å; N56-S60 VanDerWaalsContact CB-OG 3.29Å; N56-S60 WeakPolarHBondContact CB-OG 3.34Å; N56-S60 PolarHBondContact N-OG 3.14Å; G57-S60 PolarHBondContact O-N 2.85Å; C58-S60 VanDerWaalsContact C-N 3.34Å; S60-G62 PolarHBondContact O-N 3.04Å
61	A	98.7	Very high	98.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-64.1	-13.9	178.6	0	0	0	0	0	113.8	H49 A50 F51 D53 C58 I59 T117	H49-A61 HydrophobicContact CB-CB 3.75Å; A50-A61 PolarHBondContact N-O 3.07Å; F51-A61 WeakPolarHBondContact CD2-O 3.28Å; F51-A61 PolarHBondContact N-O 3.21Å; F51-A61 WeakPolarHBondContact O-CA 3.48Å; D53-A61 PolarHBondContact O-N 2.77Å; C58-A61 WeakPolarHBondContact O-CB 3.29Å; C58-A61 PolarHBondContact O-N 2.84Å; I59-A61 PolarHBondContact O-N 3.19Å; I59-A61 VanDerWaalsContact O-N 3.09Å; A61-T117 HydrophobicContact CB-CG2 3.77Å
62	G	98.6	Very high	98.3	Very high	17 Å²	17	58.8 Å²	58.8	18%	0.175	34%	0.342	C	S	.	.			trans	76.4	-157.2	175.9	0	0	0	0	0	113.5	H49 I59 S60 R144	H49-G62 PolarHBondContact ND1-O 3.35Å; I59-G62 PolarHBondContact O-N 2.97Å; S60-G62 PolarHBondContact O-N 3.04Å; G62-R144 VanDerWaalsContact O-CZ 3.3Å; G62-R144 PolarHBondContact O-NH1 3.36Å; G62-R144 PolarHBondContact O-NH2 2.68Å
63	P	98.7	Very high	98.3	Very high	85 Å²	85	57.6 Å²	57.6	55%	0.552	33%	0.329	S	S	*	.	S	Bend	trans	-75	179.2	178.8	34	-36.7	0	0	0	111.8	H49 A50	H49-P63 CarbonylContact C-O 3.56Å; H49-P63 VanDerWaalsContact CA-O 3.29Å; H49-P63 WeakPolarHBondContact CA-O 3.44Å; H49-P63 WeakPolarHBondContact CB-O 3.47Å; H49-P63 PolarHBondContact ND1-O 3.13Å; A50-P63 HydrophobicContact CB-CG 4.39Å; A50-P63 PolarHBondContact N-O 2.89Å
64	H	98.8	Very high	98.3	Very high	9 Å²	9	54.6 Å²	54.6	4%	0.042	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-57.2	149	169.3	-63.8	-166.2	0	0	0	109.9	H47 H49 N66 H72 H81 D84	H47-H64 AromaticContact CD2-CE1 3.65Å; H47-H64 AromaticContact CE1-CE1 3.53Å; H47-H64 AromaticContact CE1-NE2 3.82Å; H47-H64 AromaticContact CG-CE1 3.52Å; H47-H64 AromaticContact CG-ND1 3.95Å; H47-H64 AromaticContact CG-NE2 3.74Å; H47-H64 AromaticContact ND1-CE1 3.44Å; H47-H64 PolarHBondContact ND1-CE1 2.83Å; H47-H64 AromaticContact ND1-NE2 3.41Å; H47-H64 PolarHBondContact ND1-NE2 2.79Å; H47-H64 AromaticContact NE2-CE1 3.66Å; H49-H64 AromaticContact CE1-CD2 3.63Å; H49-H64 AromaticContact NE2-CD2 3.63Å; H64-N66 PolarHBondContact O-N 3.43Å; H64-H72 AromaticContact CE1-CE1 3.93Å; H64-H72 AromaticContact CE1-ND1 3.61Å; H64-H72 AromaticContact ND1-ND1 3.47Å; H64-H72 PolarHBondContact ND1-ND1 3.03Å; H64-H81 HydrophobicContact CB-CB 4.34Å; H64-H81 WeakPolarHBondContact CB-ND1 3.37Å; H64-H81 AromaticContact CG-ND1 3.85Å; H64-H81 AromaticContact ND1-ND1 3.61Å; H64-D84 IonicContact CE1-OD1 3.7Å; H64-D84 IonicContact CG-OD1 3.24Å; H64-D84 IonicContact ND1-OD1 3.32Å; H64-D84 PolarHBondContact ND1-OD1 3.05Å
65	F	98.8	Very high	98.3	Very high	11 Å²	11	54.1 Å²	54.1	5%	0.048	31%	0.313	C	S	.	.			trans	-70.7	105.3	177.9	176.1	-129.1	0	0	0	110.6	V48 P67 V82 G83 I111 I113 R116	V48-F65 HydrophobicContact CG1-CB 4.21Å; V48-F65 WeakPolarHBondContact O-CB 3.12Å; V48-F65 PolarHBondContact O-N 3.08Å; F65-P67 HydrophobicContact CE1-CG 4.03Å; F65-P67 HydrophobicContact CE2-CB 3.93Å; F65-P67 HydrophobicContact CE2-CG 3.86Å; F65-P67 HydrophobicContact CZ-CB 3.94Å; F65-P67 HydrophobicContact CZ-CG 3.54Å; F65-V82 HydrophobicContact CD1-CB 3.81Å; F65-V82 HydrophobicContact CD1-CG1 3.68Å; F65-V82 HydrophobicContact CE1-CB 3.92Å; F65-V82 HydrophobicContact CE1-CG1 3.61Å; F65-V82 PolarHBondContact O-N 2.88Å; F65-G83 PolarHBondContact O-N 2.77Å; F65-I111 HydrophobicContact CE1-CB 4.45Å; F65-I111 VanDerWaalsContact CE1-O 3.32Å; F65-I111 WeakPolarHBondContact CE1-O 3.38Å; F65-I111 HydrophobicContact CZ-CB 4.23Å; F65-I113 HydrophobicContact CD1-CG2 4.36Å; F65-R116 VanDerWaalsContact CD2-CZ 3.43Å; F65-R116 VanDerWaalsContact CZ-CZ 3.41Å; F65-R116 VanDerWaalsContact CZ-NH2 3.31Å
66	N	98.6	Very high	98.2	Very high	42 Å²	42	54.6 Å²	54.6	23%	0.225	32%	0.316	C	S	.	.			trans	-130.9	72.7	-173	-174.9	12.8	0	0	0	112.3	H64 H68 N69 K70 H81	H64-N66 PolarHBondContact O-N 3.43Å; N66-H68 PolarHBondContact O-N 3.41Å; N66-N69 PolarHBondContact O-N 2.75Å; N66-N69 WeakPolarHBondContact OD1-CA 3.35Å; N66-N69 PolarHBondContact OD1-N 2.64Å; N66-K70 PolarHBondContact ND2-N 2.86Å; N66-K70 PolarHBondContact ND2-O 2.85Å; N66-K70 PolarHBondContact OD1-N 3.49Å; N66-H81 HydrophobicContact CB-CB 4.07Å; N66-H81 PolarHBondContact ND2-CD2 3.22Å; N66-H81 PolarHBondContact ND2-NE2 3.1Å; N66-H81 VanDerWaalsContact ND2-NE2 3.11Å
67	P	98.4	Very high	98.2	Very high	57 Å²	57	51.8 Å²	51.8	37%	0.37	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-13.6	-179.4	30.5	-36	0	0	0	113.5	F65 V82 I111	F65-P67 HydrophobicContact CE1-CG 4.03Å; F65-P67 HydrophobicContact CE2-CB 3.93Å; F65-P67 HydrophobicContact CE2-CG 3.86Å; F65-P67 HydrophobicContact CZ-CB 3.94Å; F65-P67 HydrophobicContact CZ-CG 3.54Å; P67-V82 HydrophobicContact CG-CB 4.26Å; P67-V82 HydrophobicContact CG-CG2 3.57Å; P67-I111 HydrophobicContact CB-CG2 4.09Å; P67-I111 HydrophobicContact CG-CB 4.45Å; P67-I111 HydrophobicContact CG-CG2 3.94Å
68	H	97.9	Very high	98.1	Very high	99 Å²	99	54.3 Å²	54.3	46%	0.458	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.2	3.5	-175.2	-57.7	-46.6	0	0	0	113.5	N66 K70	N66-H68 PolarHBondContact O-N 3.41Å; H68-K70 VanDerWaalsContact C-N 3.29Å; H68-K70 HydrophobicContact CB-CD 4.35Å; H68-K70 HydrophobicContact CB-CG 3.87Å; H68-K70 PolarHBondContact O-N 3.03Å
69	N	97.8	Very high	97.9	Very high	146 Å²	146	59 Å²	59	78%	0.781	34%	0.339	S	S	*	.			trans	50.3	47.1	-179.5	-163.7	62.1	0	0	0	112.9	N66	N66-N69 PolarHBondContact O-N 2.75Å; N66-N69 WeakPolarHBondContact OD1-CA 3.35Å; N66-N69 PolarHBondContact OD1-N 2.64Å
70	K	98.1	Very high	98	Very high	72 Å²	72	53.5 Å²	53.5	31%	0.313	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-90.4	171.2	175.7	-56	-51.5	-166.7	154.3	0	111	N66 H68 E79 R80 H81	N66-K70 PolarHBondContact ND2-N 2.86Å; N66-K70 PolarHBondContact ND2-O 2.85Å; N66-K70 PolarHBondContact OD1-N 3.49Å; H68-K70 VanDerWaalsContact C-N 3.29Å; H68-K70 HydrophobicContact CB-CD 4.35Å; H68-K70 HydrophobicContact CB-CG 3.87Å; H68-K70 PolarHBondContact O-N 3.03Å; K70-E79 WeakPolarHBondContact CD-OE2 3.36Å; K70-E79 WeakPolarHBondContact CE-OE2 3.42Å; K70-E79 VanDerWaalsContact NZ-CD 3.3Å; K70-E79 IonicContact NZ-OE1 2.65Å; K70-E79 PolarHBondContact NZ-OE1 2.79Å; K70-E79 VanDerWaalsContact NZ-OE1 3.13Å; K70-E79 IonicContact NZ-OE2 3.16Å; K70-E79 PolarHBondContact NZ-OE2 3.1Å; K70-R80 WeakPolarHBondContact CB-O 3.06Å; K70-H81 PolarHBondContact O-CD2 3.44Å; K70-H81 VanDerWaalsContact O-CD2 3.23Å; K70-H81 PolarHBondContact O-NE2 3.48Å
71	N	98.5	Very high	98	Very high	102 Å²	102	52.8 Å²	52.8	55%	0.545	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-77.8	157.6	165.2	-68.9	-21.5	0	0	0	109.8	R80 L136	N71-R80 CarbonylContact O-C 3.52Å; N71-R80 WeakPolarHBondContact O-CA 3.29Å; N71-L136 HydrophobicContact CB-CB 4.38Å
72	H	98.7	Very high	98	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.009	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-65.2	139.5	168.1	175	75.6	0	0	0	110.4	H47 H64 H81 D84 D125 S135 L136 G139	H47-H72 AromaticContact NE2-CE1 3.95Å; H64-H72 AromaticContact CE1-CE1 3.93Å; H64-H72 AromaticContact CE1-ND1 3.61Å; H64-H72 AromaticContact ND1-ND1 3.47Å; H64-H72 PolarHBondContact ND1-ND1 3.03Å; H72-H81 PolarHBondContact N-CE1 2.78Å; H72-H81 PolarHBondContact N-NE2 2.93Å; H72-D84 WeakPolarHBondContact CA-OD2 3.47Å; H72-D84 IonicContact CE1-OD1 3.86Å; H72-D84 IonicContact CE1-OD2 3.74Å; H72-D84 IonicContact CG-OD2 3.79Å; H72-D84 IonicContact ND1-OD1 3.1Å; H72-D84 PolarHBondContact ND1-OD1 3.27Å; H72-D84 IonicContact ND1-OD2 3.74Å; H72-D84 PolarHBondContact ND1-OD2 3.09Å; H72-D84 VanDerWaalsContact ND1-OD2 3.1Å; H72-D125 IonicContact CD2-OD1 3.71Å; H72-D125 IonicContact CE1-OD1 2.76Å; H72-D125 IonicContact CE1-OD2 3.23Å; H72-D125 PolarHBondContact CE1-OD2 2.87Å; H72-D125 IonicContact NE2-OD1 3.67Å; H72-D125 PolarHBondContact NE2-OD1 3.17Å; H72-D125 IonicContact NE2-OD2 2.68Å; H72-D125 PolarHBondContact NE2-OD2 3.49Å; H72-S135 PolarHBondContact CD2-O 3.4Å; H72-L136 VanDerWaalsContact CB-C 3.49Å; H72-L136 WeakPolarHBondContact CB-O 3.37Å; H72-L136 PolarHBondContact N-O 3.15Å; H72-G139 PolarHBondContact CD2-N 3.46Å; H72-G139 WeakPolarHBondContact NE2-CA 3.15Å
73	A	98.5	Very high	98	Very high	12 Å²	12	52 Å²	52	10%	0.099	30%	0.296	C	S	.	.			trans	-158.5	179.3	173.6	0	0	0	0	0	111	D77 E79 R80 D84	A73-D77 HydrophobicContact CB-CB 3.84Å; A73-E79 WeakPolarHBondContact CB-O 3.23Å; A73-R80 HydrophobicContact CB-CB 3.92Å; A73-D84 PolarHBondContact N-OD2 3.28Å; A73-D84 WeakPolarHBondContact O-CB 3.46Å
74	G	98.4	Very high	98	Very high	1 Å²	1	48 Å²	48	1%	0.01	27%	0.269	C	S	.	.			trans	-75.5	163.9	-179.9	0	0	0	0	0	113.5	T76 D77 R80 L127	G74-T76 PolarHBondContact O-N 3.22Å; G74-T76 VanDerWaalsContact O-N 3.09Å; G74-D77 PolarHBondContact N-OD2 2.88Å; G74-D77 WeakPolarHBondContact O-CB 3.43Å; G74-D77 PolarHBondContact O-N 2.82Å; G74-R80 WeakPolarHBondContact O-CD 3.11Å; G74-L127 PolarHBondContact N-O 3.47Å
75	P	97.7	Very high	98	Very high	46 Å²	46	47.8 Å²	47.8	30%	0.299	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.6	-171.1	24.4	-34.4	0	0	0	114.3	R80	P75-R80 VanDerWaalsContact C-NH1 3.3Å; P75-R80 PolarHBondContact O-NH1 3.34Å
76	T	96.6	Very high	98	Very high	132 Å²	132	47.3 Å²	47.3	81%	0.81	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-8.4	176.7	57	0	0	0	0	113.6	G74	G74-T76 PolarHBondContact O-N 3.22Å; G74-T76 VanDerWaalsContact O-N 3.09Å
77	D	97.5	Very high	98	Very high	52 Å²	52	47.2 Å²	47.2	28%	0.278	27%	0.266	S	S	.	.			trans	-81.8	138.1	-178.7	-62.3	-47.1	0	0	0	110	A73 G74 E79 R80 K129	A73-D77 HydrophobicContact CB-CB 3.84Å; G74-D77 PolarHBondContact N-OD2 2.88Å; G74-D77 WeakPolarHBondContact O-CB 3.43Å; G74-D77 PolarHBondContact O-N 2.82Å; D77-E79 VanDerWaalsContact C-N 3.3Å; D77-E79 PolarHBondContact O-N 3.29Å; D77-R80 WeakPolarHBondContact O-CG 3.43Å; D77-K129 IonicContact OD2-NZ 3.13Å
78	A	94.4	Very high	98	Very high	90 Å²	90	44.9 Å²	44.9	74%	0.744	25%	0.251	S	S	*	.	S	Bend	trans	-68.8	-31	-176.9	0	0	0	0	0	112.8
79	E	95.5	Very high	98.1	Very high	114 Å²	114	44.3 Å²	44.3	53%	0.533	25%	0.254	S	S	.	.	S	Bend	trans	-111.3	89.7	-177.7	-69.2	-75.6	137.9	0	0	108.5	K70 A73 D77	K70-E79 WeakPolarHBondContact CD-OE2 3.36Å; K70-E79 WeakPolarHBondContact CE-OE2 3.42Å; K70-E79 VanDerWaalsContact NZ-CD 3.3Å; K70-E79 IonicContact NZ-OE1 2.65Å; K70-E79 PolarHBondContact NZ-OE1 2.79Å; K70-E79 VanDerWaalsContact NZ-OE1 3.13Å; K70-E79 IonicContact NZ-OE2 3.16Å; K70-E79 PolarHBondContact NZ-OE2 3.1Å; A73-E79 WeakPolarHBondContact CB-O 3.23Å; D77-E79 VanDerWaalsContact C-N 3.3Å; D77-E79 PolarHBondContact O-N 3.29Å
80	R	98.5	Very high	98.1	Very high	7 Å²	7	37.5 Å²	37.5	3%	0.026	22%	0.219	C	C	.	.	S	Bend	trans	-140.2	171.6	-179.9	60.9	174.6	-111.9	-145.9	-0.1	110.3	K70 N71 A73 G74 P75 D77 V82 D84 D102 M104	K70-R80 WeakPolarHBondContact CB-O 3.06Å; N71-R80 CarbonylContact O-C 3.52Å; N71-R80 WeakPolarHBondContact O-CA 3.29Å; A73-R80 HydrophobicContact CB-CB 3.92Å; G74-R80 WeakPolarHBondContact O-CD 3.11Å; P75-R80 VanDerWaalsContact C-NH1 3.3Å; P75-R80 PolarHBondContact O-NH1 3.34Å; D77-R80 WeakPolarHBondContact O-CG 3.43Å; R80-V82 PolarHBondContact NH2-O 2.89Å; R80-D84 HydrophobicContact CB-CB 4.44Å; R80-D84 PolarHBondContact NE-O 3.03Å; R80-D84 VanDerWaalsContact NE-O 3.09Å; R80-D84 PolarHBondContact NH2-O 3.25Å; R80-D102 IonicContact CZ-OD2 3.07Å; R80-D102 VanDerWaalsContact CZ-OD2 3.24Å; R80-D102 IonicContact NH1-OD1 3.54Å; R80-D102 IonicContact NH1-OD2 3.51Å; R80-D102 PolarHBondContact NH1-OD2 3.26Å; R80-D102 IonicContact NH2-OD1 2.86Å; R80-D102 PolarHBondContact NH2-OD1 3.13Å; R80-D102 IonicContact NH2-OD2 3.31Å; R80-D102 PolarHBondContact NH2-OD2 2.97Å; R80-M104 HydrophobicContact CG-CE 3.62Å; R80-M104 HydrophobicContact CG-SD 3.52Å; R80-M104 VanDerWaalsContact CG-SD 3.52Å
81	H	98.8	Very high	98.1	Very high	13 Å²	13	35.6 Å²	35.6	6%	0.06	22%	0.219	C	C	.	.			trans	-69.6	149.7	163.4	-48.6	147.8	0	0	0	110.1	H64 N66 K70 H72 G83 D84 K137	H64-H81 HydrophobicContact CB-CB 4.34Å; H64-H81 WeakPolarHBondContact CB-ND1 3.37Å; H64-H81 AromaticContact CG-ND1 3.85Å; H64-H81 AromaticContact ND1-ND1 3.61Å; N66-H81 HydrophobicContact CB-CB 4.07Å; N66-H81 PolarHBondContact ND2-CD2 3.22Å; N66-H81 PolarHBondContact ND2-NE2 3.1Å; N66-H81 VanDerWaalsContact ND2-NE2 3.11Å; K70-H81 PolarHBondContact O-CD2 3.44Å; K70-H81 VanDerWaalsContact O-CD2 3.23Å; K70-H81 PolarHBondContact O-NE2 3.48Å; H72-H81 PolarHBondContact N-CE1 2.78Å; H72-H81 PolarHBondContact N-NE2 2.93Å; H81-G83 PolarHBondContact O-N 2.91Å; H81-D84 HydrophobicContact CB-CB 4.45Å; H81-D84 VanDerWaalsContact CB-CG 3.47Å; H81-D84 WeakPolarHBondContact CB-OD1 3.24Å; H81-D84 VanDerWaalsContact CB-OD2 3.24Å; H81-D84 WeakPolarHBondContact CB-OD2 3.41Å; H81-D84 IonicContact CG-OD1 3.39Å; H81-D84 IonicContact CG-OD2 2.83Å; H81-D84 PolarHBondContact N-OD2 2.85Å; H81-D84 IonicContact ND1-OD1 2.87Å; H81-D84 PolarHBondContact ND1-OD1 3.35Å; H81-D84 IonicContact ND1-OD2 4Å; H81-D84 PolarHBondContact ND1-OD2 2.8Å; H81-D84 PolarHBondContact O-N 2.78Å; H81-D84 VanDerWaalsContact O-N 3.14Å; H81-K137 PolarHBondContact CE1-O 2.9Å
82	V	98.7	Very high	98.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-39.1	174.1	174.2	0	0	0	0	110.5	F65 P67 R80 D84 M104 I105	F65-V82 HydrophobicContact CD1-CB 3.81Å; F65-V82 HydrophobicContact CD1-CG1 3.68Å; F65-V82 HydrophobicContact CE1-CB 3.92Å; F65-V82 HydrophobicContact CE1-CG1 3.61Å; F65-V82 PolarHBondContact O-N 2.88Å; P67-V82 HydrophobicContact CG-CB 4.26Å; P67-V82 HydrophobicContact CG-CG2 3.57Å; R80-V82 PolarHBondContact NH2-O 2.89Å; V82-D84 VanDerWaalsContact C-N 3.31Å; V82-D84 PolarHBondContact O-N 2.75Å; V82-M104 HydrophobicContact CB-CG 4.24Å; V82-M104 HydrophobicContact CB-SD 4.46Å; V82-M104 HydrophobicContact CG1-CG 4.25Å; V82-M104 HydrophobicContact CG2-CG 3.96Å; V82-M104 HydrophobicContact CG2-SD 4.13Å; V82-I105 HydrophobicContact CG1-CG2 4.19Å; V82-I105 WeakPolarHBondContact O-CG2 3.35Å
83	G	98.8	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-2.5	179.9	0	0	0	0	0	116.9	H47 V48 F65 H81 L85	H47-G83 CarbonylContact C-O 3.57Å; H47-G83 VanDerWaalsContact CA-O 3.24Å; H47-G83 WeakPolarHBondContact CA-O 3.28Å; V48-G83 PolarHBondContact N-O 3.28Å; F65-G83 PolarHBondContact O-N 2.77Å; H81-G83 PolarHBondContact O-N 2.91Å; G83-L85 PolarHBondContact O-N 2.98Å
84	D	98.9	Very high	98	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	96.2	-175.2	-66.6	-20.7	0	0	0	111.8	H64 H72 A73 R80 H81 V82	H64-D84 IonicContact CE1-OD1 3.7Å; H64-D84 IonicContact CG-OD1 3.24Å; H64-D84 IonicContact ND1-OD1 3.32Å; H64-D84 PolarHBondContact ND1-OD1 3.05Å; H72-D84 WeakPolarHBondContact CA-OD2 3.47Å; H72-D84 IonicContact CE1-OD1 3.86Å; H72-D84 IonicContact CE1-OD2 3.74Å; H72-D84 IonicContact CG-OD2 3.79Å; H72-D84 IonicContact ND1-OD1 3.1Å; H72-D84 PolarHBondContact ND1-OD1 3.27Å; H72-D84 IonicContact ND1-OD2 3.74Å; H72-D84 PolarHBondContact ND1-OD2 3.09Å; H72-D84 VanDerWaalsContact ND1-OD2 3.1Å; A73-D84 PolarHBondContact N-OD2 3.28Å; A73-D84 WeakPolarHBondContact O-CB 3.46Å; R80-D84 HydrophobicContact CB-CB 4.44Å; R80-D84 PolarHBondContact NE-O 3.03Å; R80-D84 VanDerWaalsContact NE-O 3.09Å; R80-D84 PolarHBondContact NH2-O 3.25Å; H81-D84 HydrophobicContact CB-CB 4.45Å; H81-D84 VanDerWaalsContact CB-CG 3.47Å; H81-D84 WeakPolarHBondContact CB-OD1 3.24Å; H81-D84 VanDerWaalsContact CB-OD2 3.24Å; H81-D84 WeakPolarHBondContact CB-OD2 3.41Å; H81-D84 IonicContact CG-OD1 3.39Å; H81-D84 IonicContact CG-OD2 2.83Å; H81-D84 PolarHBondContact N-OD2 2.85Å; H81-D84 IonicContact ND1-OD1 2.87Å; H81-D84 PolarHBondContact ND1-OD1 3.35Å; H81-D84 IonicContact ND1-OD2 4Å; H81-D84 PolarHBondContact ND1-OD2 2.8Å; H81-D84 PolarHBondContact O-N 2.78Å; H81-D84 VanDerWaalsContact O-N 3.14Å; V82-D84 VanDerWaalsContact C-N 3.31Å; V82-D84 PolarHBondContact O-N 2.75Å
85	L	98.8	Very high	98	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	4.9	178	-56	175.4	0	0	0	113.2	F46 V48 G83 D102 I105 M118	F46-L85 HydrophobicContact CD1-CB 4.14Å; F46-L85 HydrophobicContact CD1-CD1 4.14Å; F46-L85 HydrophobicContact CE1-CD1 4.12Å; F46-L85 WeakPolarHBondContact O-CB 3.34Å; F46-L85 PolarHBondContact O-N 2.94Å; V48-L85 HydrophobicContact CG2-CD1 4.44Å; G83-L85 PolarHBondContact O-N 2.98Å; L85-D102 HydrophobicContact CD2-CB 3.92Å; L85-I105 HydrophobicContact CD2-CD1 4.25Å; L85-I105 HydrophobicContact CD2-CG2 4.04Å; L85-M118 HydrophobicContact CD1-CE 3.62Å; L85-M118 HydrophobicContact CD1-SD 4.4Å
86	G	98.8	Very high	98.1	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.5	-127.4	179.1	0	0	0	0	0	112.2	G45 F46	G45-G86 CarbonylContact C-O 3.58Å; G45-G86 WeakPolarHBondContact CA-O 3.26Å; F46-G86 PolarHBondContact N-O 3.11Å
87	N	98.9	Very high	98.2	Very high	41 Å²	41	43 Å²	43	22%	0.219	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	151.9	-174.5	-69.4	-72.8	0	0	0	112.7	D43 H44 G45 A124 D125	D43-N87 HydrophobicContact CB-CB 4.06Å; H44-N87 VanDerWaalsContact C-OD1 3.23Å; H44-N87 VanDerWaalsContact O-CA 3.3Å; H44-N87 WeakPolarHBondContact O-CA 3.28Å; H44-N87 PolarHBondContact O-OD1 3.36Å; G45-N87 WeakPolarHBondContact CA-OD1 3.41Å; G45-N87 PolarHBondContact N-OD1 2.84Å; N87-A124 WeakPolarHBondContact OD1-CA 3.32Å; N87-D125 PolarHBondContact ND2-O 3Å; N87-D125 PolarHBondContact OD1-N 2.86Å
88	V	98.8	Very high	98.2	Very high	7 Å²	7	41 Å²	41	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	144.1	158.4	-60.8	0	0	0	0	109	I36 H44 F46 A96 I98 I100 I120	I36-V88 HydrophobicContact CD1-CG2 4.4Å; H44-V88 HydrophobicContact CB-CG2 4.42Å; H44-V88 PolarHBondContact N-O 3.02Å; H44-V88 PolarHBondContact O-N 3.37Å; F46-V88 HydrophobicContact CB-CG1 4.1Å; F46-V88 HydrophobicContact CB-CG2 4.45Å; F46-V88 HydrophobicContact CD1-CG1 3.83Å; F46-V88 HydrophobicContact CE1-CG1 4.37Å; F46-V88 HydrophobicContact CG-CG1 3.92Å; V88-A96 HydrophobicContact CB-CB 4.28Å; V88-A96 HydrophobicContact CG2-CB 4.08Å; V88-I98 HydrophobicContact CG1-CG1 4.06Å; V88-I98 HydrophobicContact CG1-CG2 4.5Å; V88-I100 HydrophobicContact CG1-CD1 4.2Å; V88-I120 HydrophobicContact CG2-CD1 3.34Å
89	T	98.8	Very high	98.4	Very high	87 Å²	87	41.8 Å²	41.8	53%	0.534	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.2	-174.5	-48.3	0	0	0	0	110.6	G42 D43 A96	G42-T89 CarbonylContact O-C 3.54Å; G42-T89 WeakPolarHBondContact O-CA 3.25Å; D43-T89 WeakPolarHBondContact OD1-CB 3.41Å; D43-T89 WeakPolarHBondContact OD1-CG2 3.39Å; D43-T89 PolarHBondContact OD1-OG1 3.28Å; T89-A96 WeakPolarHBondContact O-CA 3.5Å; T89-A96 WeakPolarHBondContact O-CB 3.43Å
90	A	98.7	Very high	98.6	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.033	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	133.5	171.8	0	0	0	0	0	111.2	L39 Q40 P41 G42 V95 A96	L39-A90 HydrophobicContact CB-CB 3.63Å; L39-A90 HydrophobicContact CD1-CB 4.13Å; Q40-A90 WeakPolarHBondContact O-CB 3.4Å; P41-A90 WeakPolarHBondContact CA-O 3.46Å; G42-A90 PolarHBondContact N-O 2.93Å; G42-A90 PolarHBondContact O-N 3.22Å; A90-V95 WeakPolarHBondContact CA-O 3.48Å; A90-A96 HydrophobicContact CB-CB 4.15Å
91	G	97.7	Very high	98.6	Very high	31 Å²	31	42.1 Å²	42.1	32%	0.32	26%	0.255	S	S	.	.			trans	-78.7	-176.8	175	0	0	0	0	0	113.4	D93 N94 V95	G91-D93 PolarHBondContact O-N 3.38Å; G91-N94 PolarHBondContact O-N 2.9Å; G91-V95 PolarHBondContact N-O 3.44Å
92	A	98	Very high	98.5	Very high	99 Å²	99	41.7 Å²	41.7	82%	0.818	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-13	175.7	0	0	0	0	0	113.9	N94	A92-N94 VanDerWaalsContact C-N 3.25Å
93	D	98.1	Very high	98.5	Very high	109 Å²	109	46.6 Å²	46.6	58%	0.583	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	4.9	172	61.2	-13.1	0	0	0	112.9	G91 V95	G91-D93 PolarHBondContact O-N 3.38Å; D93-V95 HydrophobicContact CB-CG2 4.49Å; D93-V95 WeakPolarHBondContact O-CG2 3.32Å; D93-V95 PolarHBondContact O-N 2.97Å; D93-V95 PolarHBondContact OD1-N 3.41Å
94	N	98.4	Very high	98.4	Very high	62 Å²	62	49.1 Å²	49.1	33%	0.332	30%	0.3	S	S	.	.	S	Bend	trans	62.7	29.1	-178.1	-60.7	-22.2	0	0	0	113.1	K37 G38 L39 P41 G91 A92	K37-N94 CarbonylContact C-O 3.05Å; K37-N94 WeakPolarHBondContact CA-O 3.23Å; G38-N94 PolarHBondContact N-O 3.17Å; L39-N94 PolarHBondContact N-O 2.88Å; L39-N94 VanDerWaalsContact O-CA 3.24Å; L39-N94 WeakPolarHBondContact O-CA 3.39Å; L39-N94 WeakPolarHBondContact O-CB 3.43Å; L39-N94 VanDerWaalsContact O-CG 3.23Å; L39-N94 PolarHBondContact O-OD1 3.21Å; P41-N94 WeakPolarHBondContact CD-OD1 3.48Å; G91-N94 PolarHBondContact O-N 2.9Å; A92-N94 VanDerWaalsContact C-N 3.25Å
95	V	98.6	Very high	98.4	Very high	22 Å²	22	49.3 Å²	49.3	13%	0.133	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.2	-179.4	-176.5	0	0	0	0	110.6	E35 I36 K37 A90 G91 D93	E35-V95 HydrophobicContact CG-CG1 3.25Å; I36-V95 CarbonylContact O-C 3.59Å; I36-V95 WeakPolarHBondContact O-CA 3.34Å; K37-V95 HydrophobicContact CG-CG1 4.47Å; K37-V95 HydrophobicContact CG-CG2 4.1Å; A90-V95 WeakPolarHBondContact CA-O 3.48Å; G91-V95 PolarHBondContact N-O 3.44Å; D93-V95 HydrophobicContact CB-CG2 4.49Å; D93-V95 WeakPolarHBondContact O-CG2 3.32Å; D93-V95 PolarHBondContact O-N 2.97Å; D93-V95 PolarHBondContact OD1-N 3.41Å
96	A	98.7	Very high	98.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.1	167.9	0	0	0	0	0	110.1	E35 I36 L39 V88 T89 A90	E35-A96 WeakPolarHBondContact CA-O 3.48Å; I36-A96 PolarHBondContact N-O 3.31Å; I36-A96 PolarHBondContact O-N 3.05Å; L39-A96 HydrophobicContact CD1-CB 3.68Å; V88-A96 HydrophobicContact CB-CB 4.28Å; V88-A96 HydrophobicContact CG2-CB 4.08Å; T89-A96 WeakPolarHBondContact O-CA 3.5Å; T89-A96 WeakPolarHBondContact O-CB 3.43Å; A90-A96 HydrophobicContact CB-CB 4.15Å
97	K	98.6	Very high	98.4	Very high	159 Å²	159	50.5 Å²	50.5	69%	0.691	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.6	171.7	-68	-178.5	-179.1	176.1	0	109.3
98	I	98.6	Very high	98.3	Very high	9 Å²	9	50.7 Å²	50.7	5%	0.046	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.4	-176.1	-52.4	170.6	0	0	0	108.9	V19 V32 T33 G34 I36 F46 V88 I100	V19-I98 HydrophobicContact CG1-CD1 4.24Å; V19-I98 HydrophobicContact CG2-CD1 3.75Å; V32-I98 HydrophobicContact CG1-CG2 4.08Å; T33-I98 WeakPolarHBondContact CA-O 3.3Å; G34-I98 PolarHBondContact N-O 3.44Å; G34-I98 PolarHBondContact O-N 2.04Å; I36-I98 HydrophobicContact CD1-CD1 3.94Å; I36-I98 HydrophobicContact CG1-CD1 3.91Å; F46-I98 HydrophobicContact CE1-CD1 4.38Å; F46-I98 HydrophobicContact CE1-CG2 4.5Å; F46-I98 HydrophobicContact CE2-CD1 4.47Å; F46-I98 HydrophobicContact CZ-CD1 3.92Å; V88-I98 HydrophobicContact CG1-CG1 4.06Å; V88-I98 HydrophobicContact CG1-CG2 4.5Å; I98-I100 HydrophobicContact CG2-CD1 4Å; I98-I100 HydrophobicContact CG2-CG1 4.16Å
99	S	98.1	Very high	98.1	Very high	108 Å²	108	52.6 Å²	52.6	76%	0.755	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152	85.8	171	177.7	0	0	0	0	108.4	V32	V32-S99 WeakPolarHBondContact O-CA 3.36Å
100	I	98.6	Very high	98	Very high	31 Å²	31	54.6 Å²	54.6	16%	0.159	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.8	-176.8	-60.8	168.1	0	0	0	108.5	T31 V32 F46 V88 I98 D102	T31-I100 CarbonylContact C-O 3.55Å; T31-I100 WeakPolarHBondContact CA-O 3.36Å; V32-I100 HydrophobicContact CB-CB 4.18Å; V32-I100 PolarHBondContact N-O 3.08Å; V32-I100 PolarHBondContact O-N 3.25Å; F46-I100 HydrophobicContact CD1-CD1 4.09Å; F46-I100 HydrophobicContact CE1-CD1 4.34Å; V88-I100 HydrophobicContact CG1-CD1 4.2Å; I98-I100 HydrophobicContact CG2-CD1 4Å; I98-I100 HydrophobicContact CG2-CG1 4.16Å; I100-D102 HydrophobicContact CG2-CB 4.4Å
101	T	98.6	Very high	97.9	Very high	97 Å²	97	57 Å²	57	60%	0.595	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.8	164.5	-62.9	0	0	0	0	107.5	P29 V30	P29-T101 HydrophobicContact CB-CG2 3.67Å; P29-T101 HydrophobicContact CG-CG2 4.44Å; V30-T101 WeakPolarHBondContact O-CA 3.35Å
102	D	98.6	Very high	97.9	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.9	-175.4	-171.1	-92.2	0	0	0	111.5	P29 V30 R80 L85 I100 M104 I105	P29-D102 CarbonylContact C-O 3.59Å; P29-D102 WeakPolarHBondContact CA-O 3.35Å; P29-D102 WeakPolarHBondContact CB-O 3.4Å; V30-D102 PolarHBondContact N-O 3.1Å; V30-D102 PolarHBondContact O-N 2.98Å; R80-D102 IonicContact CZ-OD2 3.07Å; R80-D102 VanDerWaalsContact CZ-OD2 3.24Å; R80-D102 IonicContact NH1-OD1 3.54Å; R80-D102 IonicContact NH1-OD2 3.51Å; R80-D102 PolarHBondContact NH1-OD2 3.26Å; R80-D102 IonicContact NH2-OD1 2.86Å; R80-D102 PolarHBondContact NH2-OD1 3.13Å; R80-D102 IonicContact NH2-OD2 3.31Å; R80-D102 PolarHBondContact NH2-OD2 2.97Å; L85-D102 HydrophobicContact CD2-CB 3.92Å; I100-D102 HydrophobicContact CG2-CB 4.4Å; D102-M104 WeakPolarHBondContact OD1-CA 3.48Å; D102-M104 PolarHBondContact OD1-N 3.36Å; D102-I105 HydrophobicContact CB-CD1 4.27Å; D102-I105 HydrophobicContact CB-CG1 3.89Å; D102-I105 WeakPolarHBondContact OD1-CG1 3.49Å; D102-I105 PolarHBondContact OD1-N 2.94Å
103	S	97.1	Very high	98	Very high	104 Å²	104	51.5 Å²	51.5	73%	0.727	31%	0.308	S	S	*	.	S	Bend	trans	-102	1	-176.7	-57.7	0	0	0	0	113.6
104	M	97.1	Very high	98	Very high	53 Å²	53	48.8 Å²	48.8	26%	0.261	29%	0.293	S	S	.	.	S	Bend	trans	-105.5	-40.6	-177	-167.6	170.6	-73.4	0	0	112.2	R80 V82 D102	R80-M104 HydrophobicContact CG-CE 3.62Å; R80-M104 HydrophobicContact CG-SD 3.52Å; R80-M104 VanDerWaalsContact CG-SD 3.52Å; V82-M104 HydrophobicContact CB-CG 4.24Å; V82-M104 HydrophobicContact CB-SD 4.46Å; V82-M104 HydrophobicContact CG1-CG 4.25Å; V82-M104 HydrophobicContact CG2-CG 3.96Å; V82-M104 HydrophobicContact CG2-SD 4.13Å; D102-M104 WeakPolarHBondContact OD1-CA 3.48Å; D102-M104 PolarHBondContact OD1-N 3.36Å
105	I	98.5	Very high	98	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	30%	0.297	C	S	.	.			trans	-68.5	153.4	169.5	63.6	166.1	0	0	0	110.4	F21 V30 V32 V82 L85 D102 I113	F21-I105 HydrophobicContact CD1-CD1 4.32Å; V30-I105 HydrophobicContact CB-CD1 3.73Å; V30-I105 HydrophobicContact CB-CG1 3.77Å; V30-I105 HydrophobicContact CG1-CD1 3.74Å; V30-I105 HydrophobicContact CG1-CG1 4.31Å; V30-I105 HydrophobicContact CG2-CD1 4.21Å; V30-I105 HydrophobicContact CG2-CG1 3.88Å; V30-I105 WeakPolarHBondContact CG2-O 3.48Å; V32-I105 HydrophobicContact CG2-CD1 3.89Å; V82-I105 HydrophobicContact CG1-CG2 4.19Å; V82-I105 WeakPolarHBondContact O-CG2 3.35Å; L85-I105 HydrophobicContact CD2-CD1 4.25Å; L85-I105 HydrophobicContact CD2-CG2 4.04Å; D102-I105 HydrophobicContact CB-CD1 4.27Å; D102-I105 HydrophobicContact CB-CG1 3.89Å; D102-I105 WeakPolarHBondContact OD1-CG1 3.49Å; D102-I105 PolarHBondContact OD1-N 2.94Å; I105-I113 HydrophobicContact CB-CD1 4.19Å; I105-I113 HydrophobicContact CB-CG2 3.94Å; I105-I113 HydrophobicContact CD1-CD1 3.83Å; I105-I113 HydrophobicContact CG2-CG2 3.94Å
106	T	98.6	Very high	98	Very high	16 Å²	16	49.1 Å²	49.1	10%	0.098	30%	0.3	C	S	.	.			trans	-148.1	152.2	176.2	179	0	0	0	0	109.4	Q23 T108 I111 S112 I113	Q23-T106 PolarHBondContact NE2-OG1 2.82Å; Q23-T106 PolarHBondContact OE1-OG1 3.31Å; T106-T108 VanDerWaalsContact CG2-O 3.25Å; T106-T108 WeakPolarHBondContact CG2-O 3.41Å; T106-T108 PolarHBondContact OG1-N 2.84Å; T106-T108 PolarHBondContact OG1-O 3.33Å; T106-I111 HydrophobicContact CG2-CD1 4.14Å; T106-I111 HydrophobicContact CG2-CG1 3.7Å; T106-S112 VanDerWaalsContact O-CA 3.32Å; T106-S112 WeakPolarHBondContact O-CA 3.48Å; T106-I113 PolarHBondContact O-N 3.5Å
107	L	98.6	Very high	98.1	Very high	13 Å²	13	49.1 Å²	49.1	7%	0.068	30%	0.3	C	S	.	.	S	Bend	trans	-92.2	-2.1	177.9	-56.7	-174.2	0	0	0	112.4	L3 A5 F21 Q23 V30 S112 I113 I114	L3-L107 HydrophobicContact CB-CB 4.13Å; L3-L107 HydrophobicContact CB-CD1 4.04Å; L3-L107 HydrophobicContact CD1-CB 4.24Å; A5-L107 HydrophobicContact CB-CD1 4.25Å; A5-L107 HydrophobicContact CB-CD2 4.02Å; F21-L107 HydrophobicContact CB-CD1 4.11Å; F21-L107 HydrophobicContact CB-CD2 3.94Å; Q23-L107 HydrophobicContact CB-CD1 3.93Å; Q23-L107 HydrophobicContact CB-CG 4.13Å; V30-L107 HydrophobicContact CG1-CD2 4.49Å; V30-L107 HydrophobicContact CG1-CG 4.49Å; V30-L107 HydrophobicContact CG2-CG 4.34Å; L107-S112 PolarHBondContact O-OG 3.36Å; L107-I113 HydrophobicContact CD2-CD1 3.94Å; L107-I113 HydrophobicContact CD2-CG1 3.79Å; L107-I114 HydrophobicContact CB-CG1 4.49Å; L107-I114 HydrophobicContact CD2-CD1 4.2Å; L107-I114 WeakPolarHBondContact O-CG1 3.24Å
108	T	96.9	Very high	98.1	Very high	46 Å²	46	41.5 Å²	41.5	28%	0.282	27%	0.267	S	S	.	.	S	Bend	trans	-135.1	168.5	-176	-172.7	0	0	0	0	112.4	L3 D26 T106	L3-T108 HydrophobicContact CD1-CG2 4.03Å; D26-T108 HydrophobicContact CB-CG2 4.04Å; T106-T108 VanDerWaalsContact CG2-O 3.25Å; T106-T108 WeakPolarHBondContact CG2-O 3.41Å; T106-T108 PolarHBondContact OG1-N 2.84Å; T106-T108 PolarHBondContact OG1-O 3.33Å
109	G	96.3	Very high	98.1	Very high	46 Å²	46	41.1 Å²	41.1	47%	0.474	27%	0.265	S	S	.	.	S	Bend	trans	73.2	-173.7	176.7	0	0	0	0	0	114.7	I111 S112	G109-I111 PolarHBondContact O-N 2.83Å; G109-S112 VanDerWaalsContact O-CB 3.27Å; G109-S112 WeakPolarHBondContact O-CB 3.29Å; G109-S112 PolarHBondContact O-N 2.85Å; G109-S112 VanDerWaalsContact O-N 3.13Å
110	P	95.4	Very high	98.1	Very high	129 Å²	129	36 Å²	36	84%	0.838	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.9	-170.2	27	-35.1	0	0	0	113.9
111	I	96.9	Very high	98.1	Very high	54 Å²	54	34.8 Å²	34.8	28%	0.277	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	18.2	177.2	61.7	163.9	0	0	0	112.3	F65 P67 T106 G109	F65-I111 HydrophobicContact CE1-CB 4.45Å; F65-I111 VanDerWaalsContact CE1-O 3.32Å; F65-I111 WeakPolarHBondContact CE1-O 3.38Å; F65-I111 HydrophobicContact CZ-CB 4.23Å; P67-I111 HydrophobicContact CB-CG2 4.09Å; P67-I111 HydrophobicContact CG-CB 4.45Å; P67-I111 HydrophobicContact CG-CG2 3.94Å; T106-I111 HydrophobicContact CG2-CD1 4.14Å; T106-I111 HydrophobicContact CG2-CG1 3.7Å; G109-I111 PolarHBondContact O-N 2.83Å
112	S	98.4	Very high	98.1	Very high	16 Å²	16	34.6 Å²	34.6	11%	0.112	22%	0.215	C	C	.	.			trans	-56	143.9	176.4	-178.8	0	0	0	0	111.9	T106 L107 G109 I114 R116	T106-S112 VanDerWaalsContact O-CA 3.32Å; T106-S112 WeakPolarHBondContact O-CA 3.48Å; L107-S112 PolarHBondContact O-OG 3.36Å; G109-S112 VanDerWaalsContact O-CB 3.27Å; G109-S112 WeakPolarHBondContact O-CB 3.29Å; G109-S112 PolarHBondContact O-N 2.85Å; G109-S112 VanDerWaalsContact O-N 3.13Å; S112-I114 WeakPolarHBondContact OG-CB 3.32Å; S112-I114 WeakPolarHBondContact OG-CG1 3.4Å; S112-I114 PolarHBondContact OG-N 3.14Å; S112-I114 VanDerWaalsContact OG-N 3.11Å; S112-R116 PolarHBondContact O-NE 2.75Å; S112-R116 PolarHBondContact O-NH2 3.09Å
113	I	98.9	Very high	98.1	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.238	C	C	.	.			trans	-86.4	-6.7	171.9	68.3	173.5	0	0	0	113	F21 V48 F65 I105 T106 L107 G115 R116 I150	F21-I113 HydrophobicContact CD1-CD1 3.85Å; F21-I113 HydrophobicContact CE1-CD1 3.94Å; V48-I113 HydrophobicContact CG1-CB 4.08Å; V48-I113 HydrophobicContact CG1-CG2 4.06Å; V48-I113 HydrophobicContact CG2-CB 4.48Å; V48-I113 HydrophobicContact CG2-CD1 4.37Å; V48-I113 HydrophobicContact CG2-CG2 4.27Å; F65-I113 HydrophobicContact CD1-CG2 4.36Å; I105-I113 HydrophobicContact CB-CD1 4.19Å; I105-I113 HydrophobicContact CB-CG2 3.94Å; I105-I113 HydrophobicContact CD1-CD1 3.83Å; I105-I113 HydrophobicContact CG2-CG2 3.94Å; T106-I113 PolarHBondContact O-N 3.5Å; L107-I113 HydrophobicContact CD2-CD1 3.94Å; L107-I113 HydrophobicContact CD2-CG1 3.79Å; I113-G115 PolarHBondContact O-N 3.07Å; I113-R116 VanDerWaalsContact O-CB 3.24Å; I113-R116 WeakPolarHBondContact O-CB 3.27Å; I113-R116 PolarHBondContact O-N 3.16Å; I113-R116 VanDerWaalsContact O-N 3.08Å; I113-I150 HydrophobicContact CB-CD1 4.17Å; I113-I150 HydrophobicContact CD1-CD1 4.01Å; I113-I150 HydrophobicContact CG1-CD1 4.18Å
114	I	98.8	Very high	98.2	Very high	51 Å²	51	37.2 Å²	37.2	26%	0.262	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	133.8	175.1	-61.6	-64	0	0	0	109.7	A5 L107 S112 R116 I150 I152	A5-I114 HydrophobicContact CB-CD1 3.43Å; A5-I114 VanDerWaalsContact CB-CD1 3.43Å; L107-I114 HydrophobicContact CB-CG1 4.49Å; L107-I114 HydrophobicContact CD2-CD1 4.2Å; L107-I114 WeakPolarHBondContact O-CG1 3.24Å; S112-I114 WeakPolarHBondContact OG-CB 3.32Å; S112-I114 WeakPolarHBondContact OG-CG1 3.4Å; S112-I114 PolarHBondContact OG-N 3.14Å; S112-I114 VanDerWaalsContact OG-N 3.11Å; I114-R116 PolarHBondContact O-N 2.86Å; I114-I150 HydrophobicContact CD1-CG2 4.2Å; I114-I152 HydrophobicContact CD1-CG1 4.46Å; I114-I152 HydrophobicContact CG2-CG1 3.94Å
115	G	98.8	Very high	98.3	Very high	40 Å²	40	35 Å²	35	41%	0.412	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	8.2	-177.2	0	0	0	0	0	114	G52 I113 I150	G52-G115 WeakPolarHBondContact CA-O 3.42Å; G52-G115 PolarHBondContact N-O 3.3Å; I113-G115 PolarHBondContact O-N 3.07Å; G115-I150 PolarHBondContact N-O 3.4Å
116	R	98.9	Very high	98.3	Very high	51 Å²	51	36.7 Å²	36.7	19%	0.192	22%	0.22	C	C	.	.	S	Bend	trans	-98.7	174.3	169.7	-58.1	-168.1	-167.1	-78.3	-4.9	110.6	V48 H49 A50 F65 S112 I113 I114 V149 I150	V48-R116 HydrophobicContact CG1-CB 3.7Å; V48-R116 HydrophobicContact CG1-CG 4.49Å; H49-R116 WeakPolarHBondContact O-CB 3.34Å; A50-R116 PolarHBondContact O-NH1 2.83Å; F65-R116 VanDerWaalsContact CD2-CZ 3.43Å; F65-R116 VanDerWaalsContact CZ-CZ 3.41Å; F65-R116 VanDerWaalsContact CZ-NH2 3.31Å; S112-R116 PolarHBondContact O-NE 2.75Å; S112-R116 PolarHBondContact O-NH2 3.09Å; I113-R116 VanDerWaalsContact O-CB 3.24Å; I113-R116 WeakPolarHBondContact O-CB 3.27Å; I113-R116 PolarHBondContact O-N 3.16Å; I113-R116 VanDerWaalsContact O-N 3.08Å; I114-R116 PolarHBondContact O-N 2.86Å; R116-V149 CarbonylContact O-C 3.58Å; R116-V149 WeakPolarHBondContact O-CA 3.38Å; R116-I150 PolarHBondContact O-N 3.31Å
117	T	98.9	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.6	-177	-69.5	0	0	0	0	111.2	V48 H49 F51 G52 N54 A61 V119 C147 G148	V48-T117 CarbonylContact C-O 3.59Å; V48-T117 WeakPolarHBondContact CA-O 3.4Å; H49-T117 PolarHBondContact N-O 3.46Å; H49-T117 PolarHBondContact O-N 2.84Å; F51-T117 WeakPolarHBondContact O-CB 3.35Å; F51-T117 PolarHBondContact O-OG1 2.87Å; G52-T117 WeakPolarHBondContact CA-OG1 3.33Å; N54-T117 PolarHBondContact OD1-OG1 2.99Å; N54-T117 VanDerWaalsContact OD1-OG1 3.07Å; A61-T117 HydrophobicContact CB-CG2 3.77Å; T117-V119 HydrophobicContact CG2-CG2 3.86Å; T117-C147 HydrophobicContact CG2-CB 3.61Å; T117-G148 CarbonylContact C-O 3.5Å; T117-G148 VanDerWaalsContact CA-O 3.28Å; T117-G148 WeakPolarHBondContact CA-O 3.5Å
118	M	98.9	Very high	98.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	138.1	165.4	-176.5	58.8	74.2	0	0	109	C7 L9 F21 F46 H47 V48 L85 C147 G148 I150	C7-M118 HydrophobicContact CB-CB 4.38Å; L9-M118 HydrophobicContact CD2-CB 4.03Å; L9-M118 HydrophobicContact CD2-CG 4.01Å; L9-M118 WeakPolarHBondContact CD2-O 3.19Å; F21-M118 HydrophobicContact CE1-CE 3.55Å; F21-M118 HydrophobicContact CZ-CE 3.46Å; F21-M118 VanDerWaalsContact CZ-CE 3.46Å; F46-M118 HydrophobicContact CD1-SD 4.23Å; F46-M118 HydrophobicContact CD2-CG 4.37Å; F46-M118 HydrophobicContact CD2-SD 3.97Å; F46-M118 HydrophobicContact CE1-CE 4.03Å; F46-M118 HydrophobicContact CE1-SD 3.83Å; F46-M118 HydrophobicContact CE2-CG 3.52Å; F46-M118 HydrophobicContact CE2-SD 3.54Å; F46-M118 VanDerWaalsContact CE2-SD 3.54Å; F46-M118 HydrophobicContact CG-SD 4.31Å; F46-M118 HydrophobicContact CZ-CE 3.95Å; F46-M118 HydrophobicContact CZ-CG 3.64Å; F46-M118 HydrophobicContact CZ-SD 3.46Å; F46-M118 WeakPolarHBondContact CZ-SD 3.43Å; H47-M118 VanDerWaalsContact C-SD 3.59Å; V48-M118 HydrophobicContact CG2-CE 3.53Å; V48-M118 HydrophobicContact CG2-SD 4.26Å; L85-M118 HydrophobicContact CD1-CE 3.62Å; L85-M118 HydrophobicContact CD1-SD 4.4Å; M118-C147 CarbonylContact O-C 3.51Å; M118-C147 WeakPolarHBondContact O-CA 3.39Å; M118-C147 WeakPolarHBondContact O-CB 3.36Å; M118-G148 PolarHBondContact N-O 3.37Å; M118-G148 PolarHBondContact O-N 3.17Å; M118-G148 VanDerWaalsContact O-N 3.09Å; M118-I150 HydrophobicContact CB-CD1 4.23Å; M118-I150 HydrophobicContact CB-CG1 4.15Å; M118-I150 HydrophobicContact CE-CD1 4.42Å
119	V	98.9	Very high	98.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.8	-178.9	-176.6	0	0	0	0	109.9	H47 H49 T117 R144 C147	H47-V119 PolarHBondContact N-O 3.2Å; H47-V119 PolarHBondContact O-N 2.97Å; H49-V119 HydrophobicContact CB-CG2 4.14Å; H49-V119 WeakPolarHBondContact CD2-CG2 3.44Å; T117-V119 HydrophobicContact CG2-CG2 3.86Å; V119-R144 HydrophobicContact CG1-CB 3.75Å; V119-R144 HydrophobicContact CG1-CG 3.75Å; V119-C147 HydrophobicContact CG2-CB 3.95Å
120	I	98.9	Very high	98.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.8	166.9	-175.7	67.2	0	0	0	109.2	L9 V15 I36 L39 H44 F46 V88 L145 A146	L9-I120 HydrophobicContact CD1-CG2 4.37Å; V15-I120 HydrophobicContact CG1-CG2 4.05Å; I36-I120 HydrophobicContact CD1-CB 4.1Å; I36-I120 HydrophobicContact CD1-CD1 4.06Å; I36-I120 HydrophobicContact CD1-CG1 4Å; I36-I120 HydrophobicContact CD1-CG2 4.45Å; L39-I120 HydrophobicContact CD1-CG1 4.33Å; L39-I120 HydrophobicContact CD2-CG1 3.95Å; H44-I120 HydrophobicContact CB-CD1 3.51Å; H44-I120 HydrophobicContact CB-CG1 4.16Å; F46-I120 HydrophobicContact CB-CD1 4.32Å; F46-I120 HydrophobicContact CD2-CB 4.28Å; F46-I120 HydrophobicContact CD2-CD1 3.88Å; V88-I120 HydrophobicContact CG2-CD1 3.34Å; I120-L145 HydrophobicContact CG2-CB 4.41Å; I120-L145 PolarHBondContact O-N 3.3Å; I120-A146 HydrophobicContact CG2-CB 3.71Å; I120-A146 WeakPolarHBondContact CG2-O 3.3Å; I120-A146 PolarHBondContact N-O 3.02Å; I120-A146 PolarHBondContact O-N 3.23Å
121	H	98.8	Very high	98.4	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.032	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	164.4	-172.3	-74.2	-103.5	0	0	0	113.4	H44 G45 H47 H49 A141 G142 S143 L145	H44-H121 WeakPolarHBondContact CB-O 3.42Å; H44-H121 PolarHBondContact ND1-O 2.84Å; G45-H121 WeakPolarHBondContact O-CB 3.18Å; G45-H121 PolarHBondContact O-CD2 2.68Å; G45-H121 PolarHBondContact O-N 2.93Å; H47-H121 AromaticContact CE1-CD2 3.8Å; H47-H121 AromaticContact CE1-NE2 3.92Å; H47-H121 AromaticContact ND1-CD2 3.22Å; H47-H121 PolarHBondContact ND1-CD2 3.05Å; H47-H121 AromaticContact ND1-NE2 3.1Å; H47-H121 PolarHBondContact ND1-NE2 2.82Å; H49-H121 AromaticContact NE2-CE1 3.9Å; H49-H121 AromaticContact NE2-NE2 3.28Å; H49-H121 PolarHBondContact NE2-NE2 2.87Å; H121-A141 HydrophobicContact CB-CB 3.72Å; H121-A141 WeakPolarHBondContact CB-O 3.47Å; H121-G142 PolarHBondContact ND1-O 3.01Å; H121-S143 CarbonylContact C-O 3.56Å; H121-S143 VanDerWaalsContact CA-O 3.25Å; H121-S143 WeakPolarHBondContact CA-O 3.16Å; H121-L145 WeakPolarHBondContact O-CD1 3.49Å
122	E	98.4	Very high	98.4	Very high	93 Å²	93	41.5 Å²	41.5	44%	0.435	25%	0.253	S	S	.	.	S	Bend	trans	-70.2	-38	-178.6	-178.3	-170.7	179.1	0	0	113.6	H44 S143 L145	H44-E122 PolarHBondContact CE1-O 3.13Å; H44-E122 PolarHBondContact ND1-O 2.65Å; E122-S143 VanDerWaalsContact CB-OG 3.32Å; E122-S143 WeakPolarHBondContact CB-OG 3.34Å; E122-S143 PolarHBondContact N-O 2.95Å; E122-S143 WeakPolarHBondContact OE2-CB 3.43Å; E122-S143 PolarHBondContact OE2-OG 3.04Å; E122-L145 HydrophobicContact CB-CD1 4.49Å; E122-L145 HydrophobicContact CB-CD2 4.02Å; E122-L145 HydrophobicContact CB-CG 4.13Å; E122-L145 HydrophobicContact CG-CD2 4.36Å
123	K	98.7	Very high	98.4	Very high	116 Å²	116	47.9 Å²	47.9	50%	0.504	28%	0.281	S	S	.	.	S	Bend	trans	-116.3	165.6	-174	-54.7	179.4	-178.8	176.9	0	110.7	D43 G45 D125 A141	D43-K123 CarbonylContact O-C 3.59Å; G45-K123 PolarHBondContact N-O 2.86Å; K123-D125 PolarHBondContact O-N 3.26Å; K123-A141 WeakPolarHBondContact CA-O 3.4Å; K123-A141 WeakPolarHBondContact CB-O 3.47Å; K123-A141 PolarHBondContact N-O 3.47Å
124	A	98.8	Very high	98.3	Very high	47 Å²	47	51.9 Å²	51.9	39%	0.388	30%	0.3	S	S	.	.			trans	-59.1	135.1	167.5	0	0	0	0	0	110.3	D43 N87	D43-A124 HydrophobicContact CB-CB 3.8Å; D43-A124 WeakPolarHBondContact O-CA 3.41Å; D43-A124 PolarHBondContact O-N 3.44Å; D43-A124 VanDerWaalsContact O-N 3.1Å; N87-A124 WeakPolarHBondContact OD1-CA 3.32Å
125	D	98.8	Very high	98.3	Very high	6 Å²	6	49.5 Å²	49.5	3%	0.032	29%	0.288	C	S	.	.			trans	-72.3	124.9	163	175.1	3.7	0	0	0	109.1	H47 H72 N87 K123 L127 G139 A141	H47-D125 IonicContact CE1-OD2 4Å; H47-D125 IonicContact NE2-OD2 3.99Å; H47-D125 PolarHBondContact NE2-OD2 2.76Å; H72-D125 IonicContact CD2-OD1 3.71Å; H72-D125 IonicContact CE1-OD1 2.76Å; H72-D125 IonicContact CE1-OD2 3.23Å; H72-D125 PolarHBondContact CE1-OD2 2.87Å; H72-D125 IonicContact NE2-OD1 3.67Å; H72-D125 PolarHBondContact NE2-OD1 3.17Å; H72-D125 IonicContact NE2-OD2 2.68Å; H72-D125 PolarHBondContact NE2-OD2 3.49Å; N87-D125 PolarHBondContact ND2-O 3Å; N87-D125 PolarHBondContact OD1-N 2.86Å; K123-D125 PolarHBondContact O-N 3.26Å; D125-L127 HydrophobicContact CB-CD2 4.31Å; D125-L127 PolarHBondContact O-N 3.27Å; D125-L127 WeakPolarHBondContact OD1-CA 3.46Å; D125-L127 PolarHBondContact OD1-N 3.23Å; D125-G139 WeakPolarHBondContact CA-O 3.32Å; D125-G139 WeakPolarHBondContact OD1-CA 3.03Å; D125-A141 HydrophobicContact CB-CB 4.32Å
126	D	98.6	Very high	98.2	Very high	40 Å²	40	51.1 Å²	51.1	21%	0.214	29%	0.286	C	S	.	.			trans	-80	0.1	177.5	73.7	25.1	0	0	0	114.6	G128 K129 G130 S135 G139 N140	D126-G128 VanDerWaalsContact C-N 3.27Å; D126-G128 PolarHBondContact O-N 3.13Å; D126-G128 PolarHBondContact OD1-N 3.37Å; D126-K129 WeakPolarHBondContact O-CB 3.25Å; D126-K129 PolarHBondContact O-N 3.29Å; D126-K129 VanDerWaalsContact O-N 3.07Å; D126-K129 PolarHBondContact OD1-N 3.47Å; D126-G130 VanDerWaalsContact OD2-CA 3.3Å; D126-G130 WeakPolarHBondContact OD2-CA 3.42Å; D126-G130 PolarHBondContact OD2-N 3.39Å; D126-S135 WeakPolarHBondContact OD1-CB 3.4Å; D126-S135 PolarHBondContact OD1-OG 3.19Å; D126-S135 WeakPolarHBondContact OD2-CB 3.44Å; D126-S135 PolarHBondContact OD2-OG 3.1Å; D126-S135 VanDerWaalsContact OD2-OG 3.08Å; D126-G139 VanDerWaalsContact CG-O 3.25Å; D126-G139 PolarHBondContact N-O 2.97Å; D126-G139 WeakPolarHBondContact OD1-CA 3.39Å; D126-N140 PolarHBondContact OD2-ND2 3.09Å
127	L	98.5	Very high	98.2	Very high	44 Å²	44	53.8 Å²	53.8	23%	0.23	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	30.9	173.7	-46.2	178.4	0	0	0	113.3	G74 D125 K129	G74-L127 PolarHBondContact N-O 3.47Å; D125-L127 HydrophobicContact CB-CD2 4.31Å; D125-L127 PolarHBondContact O-N 3.27Å; D125-L127 WeakPolarHBondContact OD1-CA 3.46Å; D125-L127 PolarHBondContact OD1-N 3.23Å; L127-K129 VanDerWaalsContact C-N 3.29Å; L127-K129 HydrophobicContact CB-CD 4.45Å; L127-K129 PolarHBondContact O-N 2.84Å
128	G	98.1	Very high	98.1	Very high	19 Å²	19	55.8 Å²	55.8	20%	0.196	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	12.4	-177	0	0	0	0	0	113.9	D126 S135	D126-G128 VanDerWaalsContact C-N 3.27Å; D126-G128 PolarHBondContact O-N 3.13Å; D126-G128 PolarHBondContact OD1-N 3.37Å; G128-S135 WeakPolarHBondContact CA-OG 3.42Å; G128-S135 PolarHBondContact O-OG 3.12Å
129	K	98.1	Very high	98.1	Very high	140 Å²	140	55.8 Å²	55.8	61%	0.609	31%	0.312	S	S	*	.			trans	-110.4	9.3	-172.5	-61.5	164.8	-171.7	166.4	0	113.6	D77 D126 L127 G131 S135	D77-K129 IonicContact OD2-NZ 3.13Å; D126-K129 WeakPolarHBondContact O-CB 3.25Å; D126-K129 PolarHBondContact O-N 3.29Å; D126-K129 VanDerWaalsContact O-N 3.07Å; D126-K129 PolarHBondContact OD1-N 3.47Å; L127-K129 VanDerWaalsContact C-N 3.29Å; L127-K129 HydrophobicContact CB-CD 4.45Å; L127-K129 PolarHBondContact O-N 2.84Å; K129-G131 VanDerWaalsContact C-N 3.32Å; K129-G131 PolarHBondContact O-N 3.33Å; K129-S135 PolarHBondContact N-OG 3.08Å; K129-S135 VanDerWaalsContact N-OG 3.15Å
130	G	96.7	Very high	98.1	Very high	42 Å²	42	58.2 Å²	58.2	43%	0.433	33%	0.325	S	S	.	.	S	Bend	trans	-77.6	-9.5	-179.1	0	0	0	0	0	115.3	D126 N132 S135	D126-G130 VanDerWaalsContact OD2-CA 3.3Å; D126-G130 WeakPolarHBondContact OD2-CA 3.42Å; D126-G130 PolarHBondContact OD2-N 3.39Å; G130-N132 VanDerWaalsContact C-N 3.32Å; G130-N132 PolarHBondContact O-N 3.34Å; G130-S135 PolarHBondContact N-OG 2.59Å
131	G	97.1	Very high	98	Very high	83 Å²	83	58.2 Å²	58.2	86%	0.856	33%	0.325	S	S	*	.	S	Bend	trans	74.8	15.3	174.3	0	0	0	0	0	115.5	K129	K129-G131 VanDerWaalsContact C-N 3.32Å; K129-G131 PolarHBondContact O-N 3.33Å
132	N	97.3	Very high	97.9	Very high	76 Å²	76	59.9 Å²	59.9	41%	0.406	34%	0.344	S	S	.	.	S	Bend	trans	-125.4	166.9	173.3	66	35.8	0	0	0	110.9	G130 E134 S135 N140	G130-N132 VanDerWaalsContact C-N 3.32Å; G130-N132 PolarHBondContact O-N 3.34Å; N132-E134 PolarHBondContact O-N 3.35Å; N132-E134 PolarHBondContact OD1-N 2.77Å; N132-S135 VanDerWaalsContact O-CB 3.3Å; N132-S135 WeakPolarHBondContact O-CB 3.32Å; N132-S135 PolarHBondContact O-N 2.7Å; N132-S135 WeakPolarHBondContact OD1-CB 3.48Å; N132-S135 PolarHBondContact OD1-N 3.22Å; N132-N140 PolarHBondContact ND2-ND2 3.47Å; N132-N140 PolarHBondContact OD1-ND2 3.47Å
133	E	97.3	Very high	97.9	Very high	151 Å²	151	58.2 Å²	58.2	71%	0.706	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.6	-178.4	-68.2	-173.1	-174.1	0	0	113.5	S135 L136 K137	E133-S135 VanDerWaalsContact C-N 3.33Å; E133-L136 PolarHBondContact O-N 3.48Å; E133-K137 IonicContact OE2-NZ 3.3Å
134	E	97.5	Very high	97.9	Very high	84 Å²	84	56.3 Å²	56.3	39%	0.393	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-30.6	-177.2	-168.6	58	-154.1	0	0	111.7	N132 L136 K137 T138 N140	N132-E134 PolarHBondContact O-N 3.35Å; N132-E134 PolarHBondContact OD1-N 2.77Å; E134-L136 VanDerWaalsContact C-N 3.27Å; E134-L136 PolarHBondContact O-N 2.96Å; E134-K137 PolarHBondContact O-N 2.95Å; E134-T138 WeakPolarHBondContact CG-OG1 3.34Å; E134-T138 PolarHBondContact O-N 3Å; E134-T138 PolarHBondContact O-OG1 3.48Å; E134-T138 WeakPolarHBondContact OE1-CB 3.34Å; E134-T138 WeakPolarHBondContact OE1-CG2 3.43Å; E134-T138 PolarHBondContact OE1-OG1 3.24Å; E134-N140 WeakPolarHBondContact CB-OD1 3.43Å; E134-N140 WeakPolarHBondContact CG-OD1 3.24Å
135	S	98	Very high	97.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-55.3	-44.7	172.1	179.4	0	0	0	0	110.6	H72 D126 G128 K129 G130 N132 E133 K137 G139 N140	H72-S135 PolarHBondContact CD2-O 3.4Å; D126-S135 WeakPolarHBondContact OD1-CB 3.4Å; D126-S135 PolarHBondContact OD1-OG 3.19Å; D126-S135 WeakPolarHBondContact OD2-CB 3.44Å; D126-S135 PolarHBondContact OD2-OG 3.1Å; D126-S135 VanDerWaalsContact OD2-OG 3.08Å; G128-S135 WeakPolarHBondContact CA-OG 3.42Å; G128-S135 PolarHBondContact O-OG 3.12Å; K129-S135 PolarHBondContact N-OG 3.08Å; K129-S135 VanDerWaalsContact N-OG 3.15Å; G130-S135 PolarHBondContact N-OG 2.59Å; N132-S135 VanDerWaalsContact O-CB 3.3Å; N132-S135 WeakPolarHBondContact O-CB 3.32Å; N132-S135 PolarHBondContact O-N 2.7Å; N132-S135 WeakPolarHBondContact OD1-CB 3.48Å; N132-S135 PolarHBondContact OD1-N 3.22Å; E133-S135 VanDerWaalsContact C-N 3.33Å; S135-K137 PolarHBondContact O-N 2.91Å; S135-K137 VanDerWaalsContact O-N 3.17Å; S135-G139 WeakPolarHBondContact O-CA 3.33Å; S135-G139 PolarHBondContact O-N 2.72Å; S135-G139 VanDerWaalsContact O-N 3.13Å; S135-N140 WeakPolarHBondContact CA-ND2 3.43Å; S135-N140 WeakPolarHBondContact CB-ND2 3.5Å; S135-N140 PolarHBondContact N-ND2 2.88Å
136	L	97.7	Very high	97.9	Very high	74 Å²	74	56 Å²	56	39%	0.387	32%	0.324	S	S	.	.	H	α-helix	trans	-75.1	0.2	178.4	-59.9	177.6	0	0	0	114.2	N71 H72 E133 E134	N71-L136 HydrophobicContact CB-CB 4.38Å; H72-L136 VanDerWaalsContact CB-C 3.49Å; H72-L136 WeakPolarHBondContact CB-O 3.37Å; H72-L136 PolarHBondContact N-O 3.15Å; E133-L136 PolarHBondContact O-N 3.48Å; E134-L136 VanDerWaalsContact C-N 3.27Å; E134-L136 PolarHBondContact O-N 2.96Å
137	K	97.6	Very high	97.9	Very high	108 Å²	108	54.4 Å²	54.4	47%	0.47	32%	0.315	S	S	.	.	H	α-helix	trans	-116	-44.5	179.7	-66.3	174	-171	163.4	0	112.9	H81 E133 E134 S135	H81-K137 PolarHBondContact CE1-O 2.9Å; E133-K137 IonicContact OE2-NZ 3.3Å; E134-K137 PolarHBondContact O-N 2.95Å; S135-K137 PolarHBondContact O-N 2.91Å; S135-K137 VanDerWaalsContact O-N 3.17Å
138	T	97.8	Very high	97.9	Very high	42 Å²	42	52.6 Å²	52.6	26%	0.258	31%	0.307	S	S	.	.	H	α-helix	trans	-136.1	1.3	-169.2	64.5	0	0	0	0	113.4	E134 N140 A141	E134-T138 WeakPolarHBondContact CG-OG1 3.34Å; E134-T138 PolarHBondContact O-N 3Å; E134-T138 PolarHBondContact O-OG1 3.48Å; E134-T138 WeakPolarHBondContact OE1-CB 3.34Å; E134-T138 WeakPolarHBondContact OE1-CG2 3.43Å; E134-T138 PolarHBondContact OE1-OG1 3.24Å; T138-N140 PolarHBondContact O-N 3.32Å; T138-N140 VanDerWaalsContact O-N 3.13Å; T138-A141 PolarHBondContact O-N 3Å
139	G	98.4	Very high	97.9	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	66	13.6	-177	0	0	0	0	0	114	H72 D125 D126 S135 A141	H72-G139 PolarHBondContact CD2-N 3.46Å; H72-G139 WeakPolarHBondContact NE2-CA 3.15Å; D125-G139 WeakPolarHBondContact CA-O 3.32Å; D125-G139 WeakPolarHBondContact OD1-CA 3.03Å; D126-G139 VanDerWaalsContact CG-O 3.25Å; D126-G139 PolarHBondContact N-O 2.97Å; D126-G139 WeakPolarHBondContact OD1-CA 3.39Å; S135-G139 WeakPolarHBondContact O-CA 3.33Å; S135-G139 PolarHBondContact O-N 2.72Å; S135-G139 VanDerWaalsContact O-N 3.13Å; G139-A141 PolarHBondContact O-N 3.07Å; G139-A141 VanDerWaalsContact O-N 3.1Å
140	N	98.2	Very high	98	Very high	50 Å²	50	48 Å²	48	27%	0.267	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	23.7	-172.4	-67.6	-64.5	0	0	0	114.6	D126 N132 E134 S135 T138 G142	D126-N140 PolarHBondContact OD2-ND2 3.09Å; N132-N140 PolarHBondContact ND2-ND2 3.47Å; N132-N140 PolarHBondContact OD1-ND2 3.47Å; E134-N140 WeakPolarHBondContact CB-OD1 3.43Å; E134-N140 WeakPolarHBondContact CG-OD1 3.24Å; S135-N140 WeakPolarHBondContact CA-ND2 3.43Å; S135-N140 WeakPolarHBondContact CB-ND2 3.5Å; S135-N140 PolarHBondContact N-ND2 2.88Å; T138-N140 PolarHBondContact O-N 3.32Å; T138-N140 VanDerWaalsContact O-N 3.13Å; N140-G142 PolarHBondContact O-N 3.22Å
141	A	98	Very high	98.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.281	C	S	.	.			trans	-68.5	-8.1	-173.9	0	0	0	0	0	114.4	H121 K123 D125 T138 G139	H121-A141 HydrophobicContact CB-CB 3.72Å; H121-A141 WeakPolarHBondContact CB-O 3.47Å; K123-A141 WeakPolarHBondContact CA-O 3.4Å; K123-A141 WeakPolarHBondContact CB-O 3.47Å; K123-A141 PolarHBondContact N-O 3.47Å; D125-A141 HydrophobicContact CB-CB 4.32Å; T138-A141 PolarHBondContact O-N 3Å; G139-A141 PolarHBondContact O-N 3.07Å; G139-A141 VanDerWaalsContact O-N 3.1Å
142	G	97.3	Very high	98.1	Very high	42 Å²	42	50.2 Å²	50.2	43%	0.433	28%	0.275	S	S	.	.			trans	75.4	-148.5	173	0	0	0	0	0	113.9	H121 N140	H121-G142 PolarHBondContact ND1-O 3.01Å; N140-G142 PolarHBondContact O-N 3.22Å
143	S	97.6	Very high	98.2	Very high	59 Å²	59	48.1 Å²	48.1	41%	0.413	27%	0.268	S	S	.	.	S	Bend	trans	-70.2	163.7	-171.8	71.5	0	0	0	0	113	H121 E122	H121-S143 CarbonylContact C-O 3.56Å; H121-S143 VanDerWaalsContact CA-O 3.25Å; H121-S143 WeakPolarHBondContact CA-O 3.16Å; E122-S143 VanDerWaalsContact CB-OG 3.32Å; E122-S143 WeakPolarHBondContact CB-OG 3.34Å; E122-S143 PolarHBondContact N-O 2.95Å; E122-S143 WeakPolarHBondContact OE2-CB 3.43Å; E122-S143 PolarHBondContact OE2-OG 3.04Å
144	R	98.5	Very high	97.7	Very high	76 Å²	76	52.1 Å²	52.1	29%	0.287	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	110.4	-177.9	-55.9	-179.8	-169.3	-168.2	-3.7	108.6	C58 I59 G62 V119	C58-R144 HydrophobicContact CB-CB 3.69Å; C58-R144 HydrophobicContact CB-CG 4.39Å; C58-R144 VanDerWaalsContact O-CD 3.28Å; C58-R144 WeakPolarHBondContact O-CD 3.17Å; C58-R144 PolarHBondContact O-NH1 2.62Å; I59-R144 PolarHBondContact O-NH1 3.11Å; G62-R144 VanDerWaalsContact O-CZ 3.3Å; G62-R144 PolarHBondContact O-NH1 3.36Å; G62-R144 PolarHBondContact O-NH2 2.68Å; V119-R144 HydrophobicContact CG1-CB 3.75Å; V119-R144 HydrophobicContact CG1-CG 3.75Å
145	L	98.5	Very high	97.7	Very high	46 Å²	46	50.6 Å²	50.6	24%	0.241	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-43	-174.7	-66	-178.7	0	0	0	112.4	G11 V15 L39 I120 H121 E122	G11-L145 WeakPolarHBondContact CA-O 3.04Å; V15-L145 HydrophobicContact CB-CB 4.25Å; V15-L145 HydrophobicContact CG1-CB 4.04Å; V15-L145 HydrophobicContact CG2-CB 4.17Å; V15-L145 HydrophobicContact CG2-CD1 4.21Å; L39-L145 HydrophobicContact CD2-CD1 3.69Å; I120-L145 HydrophobicContact CG2-CB 4.41Å; I120-L145 PolarHBondContact O-N 3.3Å; H121-L145 WeakPolarHBondContact O-CD1 3.49Å; E122-L145 HydrophobicContact CB-CD1 4.49Å; E122-L145 HydrophobicContact CB-CD2 4.02Å; E122-L145 HydrophobicContact CB-CG 4.13Å; E122-L145 HydrophobicContact CG-CD2 4.36Å
146	A	98.8	Very high	97.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	155.8	177.1	0	0	0	0	0	110.6	L9 K10 V15 I120	L9-A146 HydrophobicContact CB-CB 4.18Å; K10-A146 VanDerWaalsContact C-CB 3.48Å; K10-A146 WeakPolarHBondContact O-CA 3.43Å; V15-A146 HydrophobicContact CB-CB 4.25Å; V15-A146 HydrophobicContact CG1-CB 3.77Å; I120-A146 HydrophobicContact CG2-CB 3.71Å; I120-A146 WeakPolarHBondContact CG2-O 3.3Å; I120-A146 PolarHBondContact N-O 3.02Å; I120-A146 PolarHBondContact O-N 3.23Å
147	C	98.9	Very high	97.7	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.041	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	166.1	179.6	59.7	0	0	0	0	112.2	K10 N54 C58 T117 M118 V119	K10-C147 PolarHBondContact N-O 3.18Å; K10-C147 PolarHBondContact O-N 2.8Å; N54-C147 PolarHBondContact ND2-SG 3.25Å; N54-C147 VanDerWaalsContact ND2-SG 3.44Å; C58-C147 WeakPolarHBondContact CA-SG 3.44Å; C58-C147 HydrophobicContact CB-CB 3.74Å; C58-C147 WeakPolarHBondContact CB-SG 3.3Å; C58-C147 WeakPolarHBondContact SG-CB 3.42Å; C58-C147 PolarHBondContact SG-N 2.62Å; C58-C147 VanDerWaalsContact SG-N 3.41Å; C58-C147 CovalentContact SG-SG 2.04Å; C58-C147 PolarHBondContact SG-SG 3.32Å; T117-C147 HydrophobicContact CG2-CB 3.61Å; M118-C147 CarbonylContact O-C 3.51Å; M118-C147 WeakPolarHBondContact O-CA 3.39Å; M118-C147 WeakPolarHBondContact O-CB 3.36Å; V119-C147 HydrophobicContact CG2-CB 3.95Å
148	G	98.8	Very high	97.7	Very high	6 Å²	6	48.8 Å²	48.8	6%	0.062	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	150.1	175.5	0	0	0	0	0	111.6	C7 V8 T117 M118	C7-G148 VanDerWaalsContact SG-CA 3.58Å; C7-G148 PolarHBondContact SG-O 2.86Å; V8-G148 WeakPolarHBondContact O-CA 3.48Å; T117-G148 CarbonylContact C-O 3.5Å; T117-G148 VanDerWaalsContact CA-O 3.28Å; T117-G148 WeakPolarHBondContact CA-O 3.5Å; M118-G148 PolarHBondContact N-O 3.37Å; M118-G148 PolarHBondContact O-N 3.17Å; M118-G148 VanDerWaalsContact O-N 3.09Å
149	V	98.9	Very high	97.7	Very high	63 Å²	63	49.2 Å²	49.2	38%	0.382	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.9	175.2	-176.1	0	0	0	0	109.1	R116 G151	R116-V149 CarbonylContact O-C 3.58Å; R116-V149 WeakPolarHBondContact O-CA 3.38Å; V149-G151 PolarHBondContact O-N 3.44Å
150	I	98.9	Very high	97.7	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	30%	0.302	C	S	.	.			trans	-78.6	109.5	177.8	-56.4	167.7	0	0	0	108.1	A5 C7 F21 V48 I113 I114 G115 R116 M118	A5-I150 HydrophobicContact CB-CG2 3.78Å; C7-I150 HydrophobicContact CB-CG1 4.07Å; F21-I150 HydrophobicContact CD2-CG2 4.13Å; F21-I150 HydrophobicContact CE2-CG1 4.3Å; F21-I150 HydrophobicContact CE2-CG2 4.01Å; F21-I150 HydrophobicContact CZ-CD1 4.17Å; F21-I150 HydrophobicContact CZ-CG1 4.29Å; V48-I150 HydrophobicContact CG1-CD1 4.12Å; V48-I150 HydrophobicContact CG2-CD1 4.08Å; I113-I150 HydrophobicContact CB-CD1 4.17Å; I113-I150 HydrophobicContact CD1-CD1 4.01Å; I113-I150 HydrophobicContact CG1-CD1 4.18Å; I114-I150 HydrophobicContact CD1-CG2 4.2Å; G115-I150 PolarHBondContact N-O 3.4Å; R116-I150 PolarHBondContact O-N 3.31Å; M118-I150 HydrophobicContact CB-CD1 4.23Å; M118-I150 HydrophobicContact CB-CG1 4.15Å; M118-I150 HydrophobicContact CE-CD1 4.42Å
151	G	98.8	Very high	97.7	Very high	29 Å²	29	52.6 Å²	52.6	30%	0.299	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	157.4	-179.2	0	0	0	0	0	112.6	A5 V6 V149	A5-G151 CarbonylContact C-O 3.57Å; A5-G151 WeakPolarHBondContact CA-O 3.4Å; A5-G151 VanDerWaalsContact CB-O 3.28Å; A5-G151 WeakPolarHBondContact CB-O 3.16Å; V6-G151 PolarHBondContact N-O 3.13Å; V6-G151 PolarHBondContact O-N 3.45Å; V149-G151 PolarHBondContact O-N 3.44Å
152	I	98.5	Very high	97.6	Very high	141 Å²	141	56.7 Å²	56.7	72%	0.723	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	139.3	172.1	-60.1	170.5	0	0	0	109.3	I114	I114-I152 HydrophobicContact CD1-CG1 4.46Å; I114-I152 HydrophobicContact CG2-CG1 3.94Å
153	A	97.9	Very high	97.7	Very high	33 Å²	33	57.9 Å²	57.9	27%	0.273	32%	0.319	S	S	.	.			trans	-117.7	160.3	179.1	0	0	0	0	0	112.6	K4 V6	K4-A153 HydrophobicContact CB-CB 3.95Å; K4-A153 PolarHBondContact O-N 2.65Å; V6-A153 HydrophobicContact CB-CB 4.14Å; V6-A153 HydrophobicContact CG1-CB 4.03Å
154	Q	87.8	Confident	97.7	Very high	235 Å²	235	57.8 Å²	57.8	100%	1.098	31%	0.31	S	S	*	.			trans	-73.2	0	176.2	132.7	179.5	15.9	0	0	112.3	K4	K4-Q154 WeakPolarHBondContact CD-O 3.17Å

Retrieved 154 of 154 residues in 154.3 ms (Link to these results)

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