A0A096NJ93_PAPAN Loading...

Carbonic anhydrase

Catalyzes the reversible hydration of carbon dioxide. Can hydrate cyanamide to urea. Reversible hydration of carbon dioxide.

AlphaFold DB (A0A2K6N4G2), UniProt , Accession A0A096NJ93, Species PAPAN (Papio anubis, Olive baboon), Gene CA7, Length 264 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	35.2	Very low	69	Low	246 Å²	246	99.3 Å²	99.3	100%	1.212	57%	0.566	S	S	*	*				0	99.2	0	-75.5	-170.6	-107.7	0	0	108.1
2	T	29.1	Very low	71.3	Confident	139 Å²	139	103.3 Å²	103.3	85%	0.853	58%	0.584	S	S	*	*			trans	-146.4	111.8	178.5	43.9	0	0	0	0	106.2	H4	T2-H4 PolarHBondContact O-N 2.99Å
3	G	33.7	Very low	73.3	Confident	62 Å²	62	99.8 Å²	99.8	64%	0.639	56%	0.564	S	S	*	*			trans	-69.4	119.1	-159.8	0	0	0	0	0	114.4
4	H	42.6	Very low	75	Confident	158 Å²	158	92.9 Å²	92.9	73%	0.731	53%	0.525	S	S	*	.			trans	-118.9	80.1	160.1	-110	-58.4	0	0	0	106.8	T2 G6	T2-H4 PolarHBondContact O-N 2.99Å; H4-G6 PolarHBondContact O-N 3.29Å
5	H	53.4	Low	76.6	Confident	135 Å²	135	88.8 Å²	88.8	63%	0.625	50%	0.504	S	S	*	.			trans	-85.3	107.5	-177.4	-67.3	-63.8	0	0	0	111	W7	H5-W7 PolarHBondContact O-N 3.41Å
6	G	81.9	Confident	77.9	Confident	56 Å²	56	88.3 Å²	88.3	58%	0.577	51%	0.507	S	S	*	.	S	Bend	trans	52.7	33.5	135.6	0	0	0	0	0	120.4	H4	H4-G6 PolarHBondContact O-N 3.29Å
7	W	96.7	Very high	79.1	Confident	41 Å²	41	86.2 Å²	86.2	16%	0.155	49%	0.492	C	S	.	.			trans	-131.9	147.8	172.3	79.5	-90.8	0	0	0	112.1	H5 Y9 W18 Y22 H66 T202 P203	H5-W7 PolarHBondContact O-N 3.41Å; W7-Y9 HydrophobicContact CZ3-CE2 4.01Å; W7-W18 AromaticContact CE3-CE2 3.81Å; W7-W18 HydrophobicContact CE3-CH2 4.39Å; W7-W18 AromaticContact CE3-CZ2 3.58Å; W7-W18 HydrophobicContact CE3-CZ2 3.58Å; W7-W18 AromaticContact CE3-NE1 3.95Å; W7-W18 HydrophobicContact CZ3-CH2 4.26Å; W7-W18 AromaticContact CZ3-CZ2 3.81Å; W7-W18 HydrophobicContact CZ3-CZ2 3.81Å; W7-Y22 HydrophobicContact CB-CE2 4.41Å; W7-H66 AromaticContact CD2-CE1 3.95Å; W7-H66 AromaticContact CE2-CE1 3.7Å; W7-H66 AromaticContact CE2-NE2 3.95Å; W7-H66 AromaticContact CE3-ND1 3.97Å; W7-H66 HydrophobicContact CH2-CB 3.97Å; W7-H66 AromaticContact CH2-CD2 3.9Å; W7-H66 AromaticContact CH2-CE1 3.66Å; W7-H66 AromaticContact CH2-CG 3.46Å; W7-H66 VanDerWaalsContact CH2-CG 3.46Å; W7-H66 AromaticContact CH2-ND1 3.31Å; W7-H66 VanDerWaalsContact CH2-ND1 3.31Å; W7-H66 WeakPolarHBondContact CH2-ND1 3.14Å; W7-H66 AromaticContact CZ2-CD2 3.8Å; W7-H66 AromaticContact CZ2-CE1 3.57Å; W7-H66 AromaticContact CZ2-CG 3.85Å; W7-H66 AromaticContact CZ2-ND1 3.72Å; W7-H66 AromaticContact CZ2-NE2 3.63Å; W7-H66 AromaticContact CZ3-CE1 3.89Å; W7-H66 AromaticContact CZ3-ND1 3.46Å; W7-H66 WeakPolarHBondContact CZ3-ND1 3.3Å; W7-T202 HydrophobicContact CH2-CG2 3.84Å; W7-T202 HydrophobicContact CZ3-CG2 4.16Å; W7-P203 HydrophobicContact CB-CG 4.15Å; W7-P203 HydrophobicContact CD2-CB 4.13Å; W7-P203 HydrophobicContact CD2-CG 3.61Å; W7-P203 HydrophobicContact CE3-CG 3.99Å; W7-P203 HydrophobicContact CG-CB 4.11Å; W7-P203 HydrophobicContact CG-CG 3.68Å
8	G	97.3	Very high	80.2	Confident	7 Å²	7	81.6 Å²	81.6	7%	0.072	47%	0.465	C	S	.	.			trans	-164.9	-150	178.8	0	0	0	0	0	110.5	D13 G14 W18	G8-D13 CarbonylContact C-O 3.47Å; G8-D13 PolarHBondContact N-O 2.91Å; G8-D13 PolarHBondContact N-OD2 2.85Å; G8-D13 VanDerWaalsContact O-O 3.13Å; G8-G14 WeakPolarHBondContact O-CA 3.36Å; G8-W18 WeakPolarHBondContact O-CZ2 3.48Å; G8-W18 PolarHBondContact O-NE1 3.26Å; G8-W18 VanDerWaalsContact O-NE1 3.12Å
9	Y	98.1	Very high	81.1	Confident	32 Å²	32	81 Å²	81	13%	0.125	46%	0.458	C	S	.	.	S	Bend	trans	-126.5	16	176	-61.6	-83.8	0	0	0	111.6	W7 P15 W18 H66 T202 F233 N246	W7-Y9 HydrophobicContact CZ3-CE2 4.01Å; Y9-P15 HydrophobicContact CD1-CG 4.04Å; Y9-P15 HydrophobicContact CE1-CG 4.27Å; Y9-W18 HydrophobicContact CD1-CH2 4.48Å; Y9-W18 HydrophobicContact CD1-CZ2 4.16Å; Y9-W18 AromaticContact CE1-CH2 3.68Å; Y9-W18 HydrophobicContact CE1-CH2 3.68Å; Y9-W18 AromaticContact CE1-CZ2 3.73Å; Y9-W18 HydrophobicContact CE1-CZ2 3.73Å; Y9-H66 HydrophobicContact CE2-CB 4.43Å; Y9-T202 WeakPolarHBondContact OH-CG2 3.4Å; Y9-F233 AromaticContact CD2-CE1 3.93Å; Y9-F233 HydrophobicContact CD2-CE1 3.93Å; Y9-F233 AromaticContact CD2-CZ 3.89Å; Y9-F233 HydrophobicContact CD2-CZ 3.89Å; Y9-F233 HydrophobicContact CG-CZ 4.36Å; Y9-N246 HydrophobicContact CD2-CB 3.88Å; Y9-N246 HydrophobicContact CE2-CB 3.83Å; Y9-N246 HydrophobicContact CG-CB 4.36Å; Y9-N246 VanDerWaalsContact CZ-C 3.47Å; Y9-N246 VanDerWaalsContact CZ-O 3.28Å; Y9-N246 PolarHBondContact OH-O 3.45Å
10	G	95.9	Very high	81.9	Confident	40 Å²	40	83.9 Å²	83.9	41%	0.412	47%	0.465	S	S	.	.	S	Bend	trans	-77	-179.4	174.1	0	0	0	0	0	111.9	D12 D13 G14	G10-D12 VanDerWaalsContact C-N 3.34Å; G10-D12 PolarHBondContact O-N 3.2Å; G10-D13 WeakPolarHBondContact CA-OD1 3.34Å; G10-D13 PolarHBondContact N-OD1 3.14Å; G10-G14 VanDerWaalsContact O-CA 3.29Å; G10-G14 WeakPolarHBondContact O-CA 3.2Å; G10-G14 PolarHBondContact O-N 2.61Å; G10-G14 VanDerWaalsContact O-N 3.09Å
11	Q	95.2	Very high	82.6	Confident	176 Å²	176	84.6 Å²	84.6	82%	0.822	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-38.3	-179.3	-65.8	-172.5	28.4	0	0	112.1	H17	Q11-H17 PolarHBondContact O-CD2 3.26Å; Q11-H17 VanDerWaalsContact O-CD2 3.3Å; Q11-H17 PolarHBondContact O-NE2 3.33Å
12	D	96.4	Very high	85.6	Confident	147 Å²	147	75.3 Å²	75.3	79%	0.786	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-17.9	-171.4	-57.5	-58.9	0	0	0	114.1	G10 H17	G10-D12 VanDerWaalsContact C-N 3.34Å; G10-D12 PolarHBondContact O-N 3.2Å; D12-H17 PolarHBondContact O-CD2 2.88Å
13	D	96.9	Very high	88.9	Confident	59 Å²	59	73.4 Å²	73.4	32%	0.316	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	7.4	-175.1	69.3	-4.6	0	0	0	113.7	G8 G10 W18	G8-D13 CarbonylContact C-O 3.47Å; G8-D13 PolarHBondContact N-O 2.91Å; G8-D13 PolarHBondContact N-OD2 2.85Å; G8-D13 VanDerWaalsContact O-O 3.13Å; G10-D13 WeakPolarHBondContact CA-OD1 3.34Å; G10-D13 PolarHBondContact N-OD1 3.14Å; D13-W18 VanDerWaalsContact O-CD1 3.29Å; D13-W18 PolarHBondContact O-NE1 2.98Å
14	G	98.1	Very high	92	Very high	2 Å²	2	73.7 Å²	73.7	2%	0.021	40%	0.396	C	S	.	.	S	Bend	trans	-72.7	178	-175.9	0	0	0	0	0	115.7	G8 G10 S16 H17 W18	G8-G14 WeakPolarHBondContact O-CA 3.36Å; G10-G14 VanDerWaalsContact O-CA 3.29Å; G10-G14 WeakPolarHBondContact O-CA 3.2Å; G10-G14 PolarHBondContact O-N 2.61Å; G10-G14 VanDerWaalsContact O-N 3.09Å; G14-S16 PolarHBondContact O-N 3.23Å; G14-H17 PolarHBondContact O-N 2.93Å; G14-W18 VanDerWaalsContact C-NE1 3.3Å; G14-W18 PolarHBondContact O-N 3.3Å; G14-W18 PolarHBondContact O-NE1 2.9Å
15	P	98.5	Very high	94.6	Very high	32 Å²	32	66.6 Å²	66.6	21%	0.208	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-34.4	-177.6	-32.7	36.4	0	0	0	116.4	Y9 H17 W18 R248	Y9-P15 HydrophobicContact CD1-CG 4.04Å; Y9-P15 HydrophobicContact CE1-CG 4.27Å; P15-H17 PolarHBondContact O-N 3.38Å; P15-W18 HydrophobicContact CB-CD2 4.38Å; P15-W18 HydrophobicContact CB-CE3 4.33Å; P15-W18 HydrophobicContact CB-CH2 4.41Å; P15-W18 HydrophobicContact CB-CZ2 4.42Å; P15-W18 HydrophobicContact CB-CZ3 4.34Å; P15-W18 HydrophobicContact CG-CH2 3.88Å; P15-W18 HydrophobicContact CG-CZ2 3.77Å; P15-W18 HydrophobicContact CG-CZ3 4.29Å; P15-W18 PolarHBondContact O-N 3.22Å; P15-R248 HydrophobicContact CB-CG 4.14Å; P15-R248 HydrophobicContact CG-CG 4.48Å
16	S	98.1	Very high	96.8	Very high	80 Å²	80	66.5 Å²	66.5	56%	0.559	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.3	176.3	52	0	0	0	0	113.4	G14 H19	G14-S16 PolarHBondContact O-N 3.23Å; S16-H19 PolarHBondContact O-CE1 3.17Å; S16-H19 PolarHBondContact O-ND1 3.11Å
17	H	98	Very high	97.6	Very high	53 Å²	53	64.5 Å²	64.5	25%	0.245	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-14.4	-176.5	-63.4	-47.8	0	0	0	114	Q11 D12 G14 P15 H19 K20	Q11-H17 PolarHBondContact O-CD2 3.26Å; Q11-H17 VanDerWaalsContact O-CD2 3.3Å; Q11-H17 PolarHBondContact O-NE2 3.33Å; D12-H17 PolarHBondContact O-CD2 2.88Å; G14-H17 PolarHBondContact O-N 2.93Å; P15-H17 PolarHBondContact O-N 3.38Å; H17-H19 PolarHBondContact O-N 2.84Å; H17-H19 VanDerWaalsContact O-N 3.13Å; H17-K20 HydrophobicContact CB-CD 4.42Å; H17-K20 PolarHBondContact ND1-NZ 3.41Å; H17-K20 VanDerWaalsContact ND1-NZ 3.18Å; H17-K20 VanDerWaalsContact O-CB 3.31Å; H17-K20 WeakPolarHBondContact O-CB 3.47Å; H17-K20 WeakPolarHBondContact O-CG 3.43Å; H17-K20 PolarHBondContact O-N 2.88Å
18	W	98.4	Very high	97.7	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.015	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-57.2	-33.8	-175.6	-64.7	-7.9	0	0	0	113.5	W7 G8 Y9 D13 G14 P15 K20 L21 Y22 T201 P203 L205 R248	W7-W18 AromaticContact CE3-CE2 3.81Å; W7-W18 HydrophobicContact CE3-CH2 4.39Å; W7-W18 AromaticContact CE3-CZ2 3.58Å; W7-W18 HydrophobicContact CE3-CZ2 3.58Å; W7-W18 AromaticContact CE3-NE1 3.95Å; W7-W18 HydrophobicContact CZ3-CH2 4.26Å; W7-W18 AromaticContact CZ3-CZ2 3.81Å; W7-W18 HydrophobicContact CZ3-CZ2 3.81Å; G8-W18 WeakPolarHBondContact O-CZ2 3.48Å; G8-W18 PolarHBondContact O-NE1 3.26Å; G8-W18 VanDerWaalsContact O-NE1 3.12Å; Y9-W18 HydrophobicContact CD1-CH2 4.48Å; Y9-W18 HydrophobicContact CD1-CZ2 4.16Å; Y9-W18 AromaticContact CE1-CH2 3.68Å; Y9-W18 HydrophobicContact CE1-CH2 3.68Å; Y9-W18 AromaticContact CE1-CZ2 3.73Å; Y9-W18 HydrophobicContact CE1-CZ2 3.73Å; D13-W18 VanDerWaalsContact O-CD1 3.29Å; D13-W18 PolarHBondContact O-NE1 2.98Å; G14-W18 VanDerWaalsContact C-NE1 3.3Å; G14-W18 PolarHBondContact O-N 3.3Å; G14-W18 PolarHBondContact O-NE1 2.9Å; P15-W18 HydrophobicContact CB-CD2 4.38Å; P15-W18 HydrophobicContact CB-CE3 4.33Å; P15-W18 HydrophobicContact CB-CH2 4.41Å; P15-W18 HydrophobicContact CB-CZ2 4.42Å; P15-W18 HydrophobicContact CB-CZ3 4.34Å; P15-W18 HydrophobicContact CG-CH2 3.88Å; P15-W18 HydrophobicContact CG-CZ2 3.77Å; P15-W18 HydrophobicContact CG-CZ3 4.29Å; P15-W18 PolarHBondContact O-N 3.22Å; W18-K20 PolarHBondContact O-N 2.9Å; W18-K20 VanDerWaalsContact O-N 3.07Å; W18-L21 PolarHBondContact O-N 3.01Å; W18-Y22 WeakPolarHBondContact O-CD2 3.41Å; W18-Y22 PolarHBondContact O-N 3.32Å; W18-T201 WeakPolarHBondContact CZ3-O 3.49Å; W18-P203 HydrophobicContact CD2-CG 3.95Å; W18-P203 HydrophobicContact CE3-CG 4.2Å; W18-P203 HydrophobicContact CG-CG 4.17Å; W18-L205 HydrophobicContact CB-CD1 4.33Å; W18-L205 HydrophobicContact CE3-CD1 4.06Å; W18-L205 HydrophobicContact CE3-CD2 3.98Å; W18-L205 HydrophobicContact CZ3-CD2 4.03Å; W18-R248 HydrophobicContact CE3-CG 4.47Å; W18-R248 HydrophobicContact CH2-CB 4.32Å; W18-R248 HydrophobicContact CH2-CG 4.41Å; W18-R248 HydrophobicContact CZ3-CB 4.08Å; W18-R248 HydrophobicContact CZ3-CG 3.76Å
19	H	98	Very high	97.7	Very high	70 Å²	70	69.8 Å²	69.8	32%	0.324	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-57.8	-23.5	177.9	69.3	-89.9	0	0	0	114.3	S16 H17 L21 Y22 A25 Q26	S16-H19 PolarHBondContact O-CE1 3.17Å; S16-H19 PolarHBondContact O-ND1 3.11Å; H17-H19 PolarHBondContact O-N 2.84Å; H17-H19 VanDerWaalsContact O-N 3.13Å; H19-L21 VanDerWaalsContact C-N 3.31Å; H19-L21 PolarHBondContact O-N 3.44Å; H19-Y22 WeakPolarHBondContact CA-O 3.39Å; H19-A25 HydrophobicContact CB-CB 3.83Å; H19-Q26 HydrophobicContact CB-CG 3.96Å
20	K	97	Very high	97.8	Very high	138 Å²	138	68.5 Å²	68.5	60%	0.6	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-67.3	-32.5	178	-61.7	175.3	178.9	173.4	0	112.4	H17 W18	H17-K20 HydrophobicContact CB-CD 4.42Å; H17-K20 PolarHBondContact ND1-NZ 3.41Å; H17-K20 VanDerWaalsContact ND1-NZ 3.18Å; H17-K20 VanDerWaalsContact O-CB 3.31Å; H17-K20 WeakPolarHBondContact O-CB 3.47Å; H17-K20 WeakPolarHBondContact O-CG 3.43Å; H17-K20 PolarHBondContact O-N 2.88Å; W18-K20 PolarHBondContact O-N 2.9Å; W18-K20 VanDerWaalsContact O-N 3.07Å
21	L	97.1	Very high	97.9	Very high	99 Å²	99	66.6 Å²	66.6	52%	0.518	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-28.1	-179.6	-65.4	178	0	0	0	112.4	W18 H19 P23	W18-L21 PolarHBondContact O-N 3.01Å; H19-L21 VanDerWaalsContact C-N 3.31Å; H19-L21 PolarHBondContact O-N 3.44Å; L21-P23 WeakPolarHBondContact O-CD 3.33Å
22	Y	97.8	Very high	98.1	Very high	52 Å²	52	58.2 Å²	58.2	20%	0.204	31%	0.305	C	S	.	.			trans	-124.7	82.3	-177.3	-54.9	-82.4	0	0	0	108.6	W7 W18 H19 I24 A25 P203 P204	W7-Y22 HydrophobicContact CB-CE2 4.41Å; W18-Y22 WeakPolarHBondContact O-CD2 3.41Å; W18-Y22 PolarHBondContact O-N 3.32Å; H19-Y22 WeakPolarHBondContact CA-O 3.39Å; Y22-I24 PolarHBondContact O-N 3.45Å; Y22-A25 WeakPolarHBondContact O-CB 3.45Å; Y22-A25 PolarHBondContact O-N 3.14Å; Y22-P203 HydrophobicContact CD1-CB 4.11Å; Y22-P203 HydrophobicContact CD2-CB 3.82Å; Y22-P203 HydrophobicContact CD2-CG 3.85Å; Y22-P203 HydrophobicContact CE1-CB 3.83Å; Y22-P203 HydrophobicContact CE2-CB 3.53Å; Y22-P203 HydrophobicContact CE2-CG 3.78Å; Y22-P203 HydrophobicContact CG-CB 4.11Å; Y22-P203 HydrophobicContact CG-CG 4.45Å; Y22-P204 HydrophobicContact CD1-CB 4.41Å
23	P	97.9	Very high	98.2	Very high	98 Å²	98	51.2 Å²	51.2	64%	0.636	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-55.2	-29.3	-175.5	-28.1	35.6	0	0	0	113.9	L21 A25 Q26	L21-P23 WeakPolarHBondContact O-CD 3.33Å; P23-A25 PolarHBondContact O-N 3.32Å; P23-Q26 PolarHBondContact O-N 3.45Å; P23-Q26 VanDerWaalsContact O-N 3.09Å
24	I	98.3	Very high	98.3	Very high	69 Å²	69	51 Å²	51	35%	0.354	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-60	-14.6	174.7	-163.5	61.5	0	0	0	113.3	Y22 Q26 G27 Q30 P204 L205 E207	Y22-I24 PolarHBondContact O-N 3.45Å; I24-Q26 PolarHBondContact O-N 3.44Å; I24-G27 WeakPolarHBondContact O-CA 3.21Å; I24-G27 PolarHBondContact O-N 3.42Å; I24-Q30 WeakPolarHBondContact O-CG 3.44Å; I24-Q30 PolarHBondContact O-NE2 3.3Å; I24-Q30 PolarHBondContact O-OE1 3.14Å; I24-P204 WeakPolarHBondContact CG2-O 3.46Å; I24-L205 HydrophobicContact CG2-CB 4.03Å; I24-E207 HydrophobicContact CD1-CG 4.16Å; I24-E207 HydrophobicContact CG1-CG 4.08Å
25	A	98.4	Very high	98.3	Very high	8 Å²	8	50.9 Å²	50.9	7%	0.066	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-54.8	-20.4	170	0	0	0	0	0	113.6	H19 Y22 P23 L205 R248	H19-A25 HydrophobicContact CB-CB 3.83Å; Y22-A25 WeakPolarHBondContact O-CB 3.45Å; Y22-A25 PolarHBondContact O-N 3.14Å; P23-A25 PolarHBondContact O-N 3.32Å; A25-L205 HydrophobicContact CB-CD1 3.4Å; A25-L205 VanDerWaalsContact CB-CD1 3.4Å; A25-R248 PolarHBondContact O-NH2 2.98Å; A25-R248 VanDerWaalsContact O-NH2 3.07Å
26	Q	98.4	Very high	98.3	Very high	134 Å²	134	52.1 Å²	52.1	63%	0.626	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-104.1	11.9	175.6	-59.3	-175.6	-60.5	0	0	113.3	H19 P23 I24 K254	H19-Q26 HydrophobicContact CB-CG 3.96Å; P23-Q26 PolarHBondContact O-N 3.45Å; P23-Q26 VanDerWaalsContact O-N 3.09Å; I24-Q26 PolarHBondContact O-N 3.44Å; Q26-K254 PolarHBondContact O-NZ 3.23Å
27	G	98.4	Very high	98.3	Very high	14 Å²	14	49.8 Å²	49.8	14%	0.144	25%	0.254	C	S	.	.	S	Bend	trans	-62.4	175.3	-179.8	0	0	0	0	0	114.2	I24 E207 K254	I24-G27 WeakPolarHBondContact O-CA 3.21Å; I24-G27 PolarHBondContact O-N 3.42Å; G27-E207 WeakPolarHBondContact CA-OE1 3.47Å; G27-K254 VanDerWaalsContact C-NZ 3.35Å; G27-K254 PolarHBondContact O-NZ 3.37Å
28	D	98.6	Very high	98.3	Very high	110 Å²	110	52.2 Å²	52.2	59%	0.588	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-13.6	-167.3	-66.9	-33.6	0	0	0	114.5	E207 K254	D28-E207 PolarHBondContact N-OE1 2.8Å; D28-K254 HydrophobicContact CB-CD 4.2Å; D28-K254 WeakPolarHBondContact OD1-CD 3.31Å; D28-K254 IonicContact OD1-NZ 2.72Å; D28-K254 PolarHBondContact OD1-NZ 3.42Å
29	R	98.5	Very high	98.3	Very high	49 Å²	49	58 Å²	58	19%	0.185	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.4	40.9	179.9	57.8	177.1	-78	-175	-3.7	112.4	P140 G198 S199 E207 V209 R256	R29-P140 PolarHBondContact NH2-O 2.8Å; R29-G198 PolarHBondContact NE-O 2.9Å; R29-G198 PolarHBondContact NH2-O 3.37Å; R29-G198 CarbonylContact O-C 3.56Å; R29-G198 WeakPolarHBondContact O-CA 3.47Å; R29-S199 PolarHBondContact O-N 2.86Å; R29-E207 VanDerWaalsContact C-OE1 3.31Å; R29-E207 WeakPolarHBondContact CA-OE1 3.35Å; R29-E207 HydrophobicContact CG-CB 3.58Å; R29-E207 HydrophobicContact CG-CG 3.65Å; R29-E207 WeakPolarHBondContact CG-OE1 3.45Å; R29-E207 VanDerWaalsContact CG-OE2 3.27Å; R29-E207 WeakPolarHBondContact CG-OE2 3.36Å; R29-E207 PolarHBondContact N-OE1 2.8Å; R29-E207 PolarHBondContact NE-O 3.21Å; R29-E207 PolarHBondContact NH2-O 2.99Å; R29-V209 PolarHBondContact NH2-O 3.41Å; R29-R256 VanDerWaalsContact CA-CZ 3.5Å; R29-R256 PolarHBondContact O-NH1 3.38Å
30	Q	98.9	Very high	98.4	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.019	30%	0.296	C	S	.	.			trans	-66.8	149.1	174.7	-69.1	-68.8	-69.4	0	0	113	I24 S199 L205 E207 Q251 R256	I24-Q30 WeakPolarHBondContact O-CG 3.44Å; I24-Q30 PolarHBondContact O-NE2 3.3Å; I24-Q30 PolarHBondContact O-OE1 3.14Å; Q30-S199 WeakPolarHBondContact CA-OG 3.39Å; Q30-L205 PolarHBondContact NE2-O 3.47Å; Q30-E207 PolarHBondContact N-OE1 2.87Å; Q30-E207 PolarHBondContact NE2-OE1 2.85Å; Q30-Q251 HydrophobicContact CB-CB 3.92Å; Q30-Q251 HydrophobicContact CB-CG 4Å; Q30-R256 VanDerWaalsContact O-CZ 3.32Å; Q30-R256 PolarHBondContact O-NH1 2.87Å; Q30-R256 PolarHBondContact O-NH2 3.25Å
31	S	98.9	Very high	98.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.289	C	S	.	.	S	Bend	trans	-121.6	158	177.2	-68.4	0	0	0	0	110.9	Y196 G198 S199 W211 R248	S31-Y196 WeakPolarHBondContact CB-OH 3.45Å; S31-Y196 WeakPolarHBondContact OG-CE2 3.4Å; S31-Y196 PolarHBondContact OG-OH 2.92Å; S31-G198 VanDerWaalsContact OG-CA 3.29Å; S31-G198 WeakPolarHBondContact OG-CA 3.33Å; S31-S199 WeakPolarHBondContact CB-O 3.32Å; S31-S199 PolarHBondContact N-OG 2.85Å; S31-S199 PolarHBondContact OG-N 3.2Å; S31-W211 PolarHBondContact OG-NE1 3.49Å; S31-R248 WeakPolarHBondContact O-CD 2.84Å; S31-R248 PolarHBondContact O-NH1 3.04Å
32	P	98.9	Very high	98.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.281	C	S	.	.			cis	-76.3	-179.1	-1.6	36.6	-41.7	0	0	0	112.3	E108 R248 Q251	P32-E108 HydrophobicContact CB-CB 3.76Å; P32-E108 WeakPolarHBondContact CB-O 2.87Å; P32-E108 VanDerWaalsContact CG-C 3.48Å; P32-E108 HydrophobicContact CG-CB 3.72Å; P32-E108 WeakPolarHBondContact CG-O 3.26Å; P32-R248 VanDerWaalsContact CG-O 3.29Å; P32-R248 WeakPolarHBondContact CG-O 3.23Å; P32-Q251 WeakPolarHBondContact O-CB 3.35Å; P32-Q251 PolarHBondContact O-N 2.75Å
33	I	98.9	Very high	98.5	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.276	C	S	.	.			trans	-132.2	162.6	173.4	63.5	171.1	0	0	0	111.2	I35 T110 Y196 L253 V258	I33-I35 HydrophobicContact CD1-CG1 4.42Å; I33-I35 HydrophobicContact CG1-CG1 4.24Å; I33-T110 PolarHBondContact O-N 2.87Å; I33-Y196 HydrophobicContact CD1-CD1 3.78Å; I33-Y196 HydrophobicContact CD1-CD2 3.89Å; I33-Y196 HydrophobicContact CD1-CE1 3.77Å; I33-Y196 HydrophobicContact CD1-CE2 3.91Å; I33-Y196 HydrophobicContact CD1-CG 3.86Å; I33-Y196 HydrophobicContact CG1-CD1 4.37Å; I33-Y196 HydrophobicContact CG1-CE1 3.84Å; I33-Y196 HydrophobicContact CG1-CE2 4.12Å; I33-Y196 HydrophobicContact CG2-CE2 4.09Å; I33-L253 HydrophobicContact CD1-CD1 3.79Å; I33-V258 HydrophobicContact CD1-CG2 3.61Å
34	N	98.9	Very high	98.5	Very high	54 Å²	54	50.2 Å²	50.2	29%	0.289	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.6	160.6	177.1	34.3	0	0	0	109	I36 T110 D112 G113	N34-I36 PolarHBondContact O-N 3.06Å; N34-T110 VanDerWaalsContact CA-OG1 3.31Å; N34-T110 WeakPolarHBondContact CA-OG1 3.49Å; N34-T110 WeakPolarHBondContact CB-OG1 3.11Å; N34-T110 PolarHBondContact OD1-OG1 2.82Å; N34-D112 PolarHBondContact OD1-N 3.23Å; N34-G113 PolarHBondContact OD1-N 3.46Å
35	I	98.9	Very high	98.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	107.3	175.5	-61.4	169.1	0	0	0	107.8	I33 S37 T110 V111 D112 W194 V213 V258	I33-I35 HydrophobicContact CD1-CG1 4.42Å; I33-I35 HydrophobicContact CG1-CG1 4.24Å; I35-S37 PolarHBondContact O-N 3.21Å; I35-T110 PolarHBondContact N-O 2.97Å; I35-V111 WeakPolarHBondContact O-CA 3.36Å; I35-D112 PolarHBondContact O-N 3.26Å; I35-W194 HydrophobicContact CD1-CB 4.26Å; I35-W194 HydrophobicContact CD1-CD2 4.34Å; I35-W194 HydrophobicContact CD1-CE3 4.12Å; I35-W194 HydrophobicContact CD1-CG 4.44Å; I35-W194 HydrophobicContact CG2-CD2 3.81Å; I35-W194 HydrophobicContact CG2-CE3 4.38Å; I35-W194 HydrophobicContact CG2-CG 3.89Å; I35-W194 HydrophobicContact CG2-CZ2 4.32Å; I35-V213 HydrophobicContact CD1-CB 4.08Å; I35-V213 HydrophobicContact CD1-CG1 4.05Å; I35-V213 HydrophobicContact CD1-CG2 4.22Å; I35-V258 HydrophobicContact CG2-CG1 4.33Å
36	I	98.8	Very high	98.5	Very high	57 Å²	57	52.5 Å²	52.5	29%	0.292	30%	0.295	S	S	.	.			trans	-83.6	102.1	171.6	-54.4	175.7	0	0	0	107.3	N34 S38 Q39 A40 D112	N34-I36 PolarHBondContact O-N 3.06Å; I36-S38 VanDerWaalsContact C-N 3.27Å; I36-S38 PolarHBondContact O-N 3.47Å; I36-Q39 HydrophobicContact CB-CB 4.21Å; I36-Q39 HydrophobicContact CB-CG 4.2Å; I36-Q39 HydrophobicContact CG2-CB 4.18Å; I36-Q39 HydrophobicContact CG2-CG 3.73Å; I36-Q39 PolarHBondContact O-N 2.8Å; I36-A40 PolarHBondContact O-N 2.92Å; I36-D112 WeakPolarHBondContact CA-OD1 3.31Å
37	S	97.9	Very high	98.5	Very high	32 Å²	32	52.1 Å²	52.1	22%	0.224	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-60.1	-38.8	-167.6	64.2	0	0	0	0	112.2	I35 Q39 A40 D112	I35-S37 PolarHBondContact O-N 3.21Å; S37-Q39 PolarHBondContact O-N 2.87Å; S37-A40 WeakPolarHBondContact O-CB 3.33Å; S37-A40 PolarHBondContact O-N 3.04Å; S37-D112 VanDerWaalsContact CB-OD2 3.3Å; S37-D112 WeakPolarHBondContact CB-OD2 3.31Å; S37-D112 PolarHBondContact N-OD1 2.98Å; S37-D112 VanDerWaalsContact OG-CG 3.32Å; S37-D112 PolarHBondContact OG-OD1 3.2Å; S37-D112 PolarHBondContact OG-OD2 3.37Å
38	S	98	Very high	98.4	Very high	103 Å²	103	55.7 Å²	55.7	72%	0.72	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-68.9	-17	178.3	70.6	0	0	0	0	114.4	I36	I36-S38 VanDerWaalsContact C-N 3.27Å; I36-S38 PolarHBondContact O-N 3.47Å
39	Q	98.4	Very high	98.5	Very high	126 Å²	126	51 Å²	51	59%	0.589	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-99	-6.7	176.9	-63.2	-177.8	18.6	0	0	112.4	I36 S37 V41	I36-Q39 HydrophobicContact CB-CB 4.21Å; I36-Q39 HydrophobicContact CB-CG 4.2Å; I36-Q39 HydrophobicContact CG2-CB 4.18Å; I36-Q39 HydrophobicContact CG2-CG 3.73Å; I36-Q39 PolarHBondContact O-N 2.8Å; S37-Q39 PolarHBondContact O-N 2.87Å; Q39-V41 PolarHBondContact O-N 2.72Å
40	A	98.6	Very high	98.5	Very high	19 Å²	19	53.6 Å²	53.6	16%	0.157	30%	0.303	C	S	.	.			trans	-68.2	129.2	178.1	0	0	0	0	0	110.6	I36 S37 Y42 V258 A260	I36-A40 PolarHBondContact O-N 2.92Å; S37-A40 WeakPolarHBondContact O-CB 3.33Å; S37-A40 PolarHBondContact O-N 3.04Å; A40-Y42 PolarHBondContact O-N 2.8Å; A40-V258 CarbonylContact C-O 3.57Å; A40-V258 WeakPolarHBondContact CA-O 3.25Å; A40-V258 HydrophobicContact CB-CG1 4.35Å; A40-A260 HydrophobicContact CB-CB 3.96Å
41	V	98.7	Very high	98.4	Very high	75 Å²	75	53.9 Å²	53.9	46%	0.455	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	109.1	-176.5	-179.7	0	0	0	0	109.5	Q39 S43 V257 V258 K259 A260	Q39-V41 PolarHBondContact O-N 2.72Å; V41-S43 PolarHBondContact O-N 2.78Å; V41-S43 VanDerWaalsContact O-N 3.14Å; V41-S43 PolarHBondContact O-OG 2.9Å; V41-V257 HydrophobicContact CB-CG1 4.14Å; V41-V257 HydrophobicContact CG2-CG1 3.66Å; V41-V258 PolarHBondContact N-O 3.44Å; V41-K259 CarbonylContact O-C 3.58Å; V41-K259 WeakPolarHBondContact O-CA 3.15Å; V41-A260 PolarHBondContact O-N 2.93Å
42	Y	98.6	Very high	98.4	Very high	90 Å²	90	56.7 Å²	56.7	35%	0.353	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	120.7	172	174.4	-122.1	0	0	0	110.3	A40 P44 A260 F262 R263	A40-Y42 PolarHBondContact O-N 2.8Å; Y42-P44 HydrophobicContact CE1-CB 3.9Å; Y42-P44 HydrophobicContact CE1-CG 4.02Å; Y42-P44 WeakPolarHBondContact O-CD 3.21Å; Y42-A260 WeakPolarHBondContact CA-O 3.47Å; Y42-F262 WeakPolarHBondContact CD2-O 3.4Å; Y42-R263 HydrophobicContact CD1-CG 3.63Å; Y42-R263 HydrophobicContact CD2-CG 4.02Å; Y42-R263 HydrophobicContact CE1-CG 3.88Å; Y42-R263 HydrophobicContact CE2-CG 4.25Å; Y42-R263 HydrophobicContact CG-CG 3.68Å
43	S	98.3	Very high	98.4	Very high	13 Å²	13	57.4 Å²	57.4	9%	0.091	33%	0.327	C	S	.	.			trans	-122.7	83.7	-171.7	-64.9	0	0	0	0	110.3	V41 S45 L46 K259 A260	V41-S43 PolarHBondContact O-N 2.78Å; V41-S43 VanDerWaalsContact O-N 3.14Å; V41-S43 PolarHBondContact O-OG 2.9Å; S43-S45 PolarHBondContact O-N 3.2Å; S43-S45 VanDerWaalsContact O-N 3.14Å; S43-L46 WeakPolarHBondContact O-CB 3.4Å; S43-L46 PolarHBondContact O-N 3.24Å; S43-L46 VanDerWaalsContact O-N 3.14Å; S43-K259 WeakPolarHBondContact OG-CG 3.34Å; S43-A260 PolarHBondContact N-O 3.33Å
44	P	97.2	Very high	98.3	Very high	96 Å²	96	62 Å²	62	62%	0.623	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-13.3	-177.7	26.9	-34.9	0	0	0	113.9	Y42 L46	Y42-P44 HydrophobicContact CE1-CB 3.9Å; Y42-P44 HydrophobicContact CE1-CG 4.02Å; Y42-P44 WeakPolarHBondContact O-CD 3.21Å; P44-L46 VanDerWaalsContact C-N 3.3Å
45	S	97.8	Very high	98.1	Very high	98 Å²	98	61.5 Å²	61.5	69%	0.685	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.6	175.7	63.2	0	0	0	0	113.6	S43 Q47	S43-S45 PolarHBondContact O-N 3.2Å; S43-S45 VanDerWaalsContact O-N 3.14Å; S45-Q47 PolarHBondContact O-N 2.81Å
46	L	98.1	Very high	98	Very high	27 Å²	27	65.1 Å²	65.1	14%	0.141	38%	0.376	C	S	.	.	S	Bend	trans	-64.3	131.1	174	-69.8	172.3	0	0	0	109	S43 P44 P85 Y193 T195 K259	S43-L46 WeakPolarHBondContact O-CB 3.4Å; S43-L46 PolarHBondContact O-N 3.24Å; S43-L46 VanDerWaalsContact O-N 3.14Å; P44-L46 VanDerWaalsContact C-N 3.3Å; L46-P85 HydrophobicContact CD2-CB 4.03Å; L46-Y193 WeakPolarHBondContact CB-OH 3.42Å; L46-Y193 HydrophobicContact CD1-CE2 4.07Å; L46-T195 HydrophobicContact CD1-CG2 4.11Å; L46-K259 HydrophobicContact CD1-CB 4.28Å
47	Q	98.1	Very high	97.9	Very high	126 Å²	126	62.9 Å²	62.9	59%	0.589	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-66.3	162.1	175.2	-64.2	-56.5	-59	0	0	110.3	S45 L49 G84 Y193	S45-Q47 PolarHBondContact O-N 2.81Å; Q47-L49 PolarHBondContact O-N 2.66Å; Q47-G84 PolarHBondContact N-O 2.79Å; Q47-G84 WeakPolarHBondContact O-CA 3.36Å; Q47-G84 PolarHBondContact O-N 3.04Å; Q47-Y193 PolarHBondContact O-OH 3.48Å
48	P	98.3	Very high	98	Very high	90 Å²	90	61.5 Å²	61.5	58%	0.584	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-52.8	140.8	168.1	-25.5	35.8	0	0	0	111.1	G83 G84	P48-G83 WeakPolarHBondContact O-CA 3.24Å; P48-G84 PolarHBondContact O-N 2.85Å
49	L	98.8	Very high	98	Very high	10 Å²	10	61 Å²	61	5%	0.052	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	124.7	174.1	176.2	69.5	0	0	0	109.4	Q47 L51 V81 Y193 I212 L214	Q47-L49 PolarHBondContact O-N 2.66Å; L49-L51 HydrophobicContact CD2-CD1 4.48Å; L49-L51 HydrophobicContact CG-CG 4.48Å; L49-V81 HydrophobicContact CD1-CG2 3.71Å; L49-Y193 HydrophobicContact CB-CD1 3.86Å; L49-Y193 HydrophobicContact CB-CE1 3.51Å; L49-Y193 HydrophobicContact CD2-CD1 3.68Å; L49-Y193 HydrophobicContact CD2-CE1 4.16Å; L49-Y193 HydrophobicContact CD2-CG 4.21Å; L49-Y193 HydrophobicContact CG-CD1 4.37Å; L49-Y193 HydrophobicContact CG-CE1 4.38Å; L49-I212 HydrophobicContact CD1-CD1 3.93Å; L49-I212 HydrophobicContact CD1-CG2 4.17Å; L49-I212 HydrophobicContact CD2-CG2 3.55Å; L49-L214 HydrophobicContact CD2-CD2 3.8Å
50	E	98.6	Very high	98	Very high	105 Å²	105	55.3 Å²	55.3	49%	0.491	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	127.2	-179.3	-65.4	-177.2	-173.8	0	0	110.9	V81 T82	E50-V81 WeakPolarHBondContact O-CA 3.18Å; E50-T82 HydrophobicContact CB-CG2 3.82Å; E50-T82 PolarHBondContact N-O 3.07Å; E50-T82 PolarHBondContact O-N 3.09Å
51	L	98.6	Very high	98	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.047	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	91.1	-179.4	-62.1	166	0	0	0	107.7	L49 Y53 V81 V146 L187	L49-L51 HydrophobicContact CD2-CD1 4.48Å; L49-L51 HydrophobicContact CG-CG 4.48Å; L51-Y53 HydrophobicContact CB-CD2 4.44Å; L51-Y53 HydrophobicContact CB-CE2 3.93Å; L51-Y53 HydrophobicContact CD2-CE2 4.37Å; L51-Y53 VanDerWaalsContact CD2-OH 3.26Å; L51-Y53 WeakPolarHBondContact CD2-OH 3.41Å; L51-V81 HydrophobicContact CD2-CB 3.87Å; L51-V81 HydrophobicContact CD2-CG2 3.49Å; L51-V81 VanDerWaalsContact CD2-CG2 3.49Å; L51-V146 HydrophobicContact CD2-CG2 3.85Å; L51-L187 HydrophobicContact CB-CD1 3.86Å; L51-L187 HydrophobicContact CD1-CD1 3.51Å; L51-L187 HydrophobicContact CD1-CD2 3.99Å; L51-L187 HydrophobicContact CD1-CG 4.36Å; L51-L187 HydrophobicContact CG-CD1 4.29Å
52	S	98.4	Very high	98	Very high	59 Å²	59	51.9 Å²	51.9	41%	0.413	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	97.3	-172.5	-67.8	0	0	0	0	109.1	T79 V80	S52-T79 CarbonylContact O-C 3.55Å; S52-T79 WeakPolarHBondContact O-CA 3.37Å; S52-V80 PolarHBondContact N-O 2.8Å; S52-V80 PolarHBondContact O-N 3.16Å
53	Y	98.4	Very high	98	Very high	15 Å²	15	47.6 Å²	47.6	6%	0.059	28%	0.278	C	S	.	.			trans	-122.4	127.4	-171.8	-57.1	-33.4	0	0	0	112.6	L51 T79 V80 L122 H124 N182 P183 K184 L187	L51-Y53 HydrophobicContact CB-CD2 4.44Å; L51-Y53 HydrophobicContact CB-CE2 3.93Å; L51-Y53 HydrophobicContact CD2-CE2 4.37Å; L51-Y53 VanDerWaalsContact CD2-OH 3.26Å; L51-Y53 WeakPolarHBondContact CD2-OH 3.41Å; Y53-T79 HydrophobicContact CD1-CG2 3.44Å; Y53-T79 VanDerWaalsContact CD1-CG2 3.44Å; Y53-T79 HydrophobicContact CE1-CG2 4.2Å; Y53-T79 HydrophobicContact CG-CG2 4.06Å; Y53-V80 WeakPolarHBondContact CE1-O 3.25Å; Y53-L122 HydrophobicContact CE2-CD2 4.03Å; Y53-H124 AromaticContact CE1-NE2 3.52Å; Y53-H124 AromaticContact CZ-NE2 3.54Å; Y53-H124 PolarHBondContact OH-CE1 3.16Å; Y53-H124 PolarHBondContact OH-NE2 2.9Å; Y53-N182 PolarHBondContact O-ND2 3.01Å; Y53-N182 VanDerWaalsContact O-ND2 3.17Å; Y53-P183 HydrophobicContact CD2-CB 4.16Å; Y53-P183 HydrophobicContact CD2-CG 3.66Å; Y53-P183 HydrophobicContact CE2-CB 4.43Å; Y53-P183 HydrophobicContact CE2-CG 4.25Å; Y53-P183 HydrophobicContact CG-CG 3.82Å; Y53-K184 HydrophobicContact CD2-CB 4.15Å; Y53-L187 HydrophobicContact CD2-CD1 4.39Å; Y53-L187 HydrophobicContact CE2-CD1 4.08Å
54	E	96.9	Very high	98	Very high	98 Å²	98	49.5 Å²	49.5	46%	0.458	29%	0.287	S	S	.	.			trans	-79.3	150.9	175.7	-80.9	-58.4	148.5	0	0	112.2	C56 M57 R78 T79	E54-C56 PolarHBondContact O-N 3.03Å; E54-M57 HydrophobicContact CB-CG 3.51Å; E54-M57 HydrophobicContact CG-CG 4.45Å; E54-R78 HydrophobicContact CG-CB 3.77Å; E54-T79 PolarHBondContact N-OG1 3.01Å
55	A	94.2	Very high	98.1	Very high	43 Å²	43	45.1 Å²	45.1	36%	0.355	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-32.2	-172.4	0	0	0	0	0	114.1	C180 F181 N182	A55-C180 CarbonylContact O-C 3.6Å; A55-C180 WeakPolarHBondContact O-CA 3.37Å; A55-F181 CarbonylContact O-C 3.54Å; A55-F181 PolarHBondContact O-N 3.28Å; A55-N182 HydrophobicContact CB-CB 4.29Å
56	C	96.9	Very high	98.1	Very high	76 Å²	76	41.6 Å²	41.6	51%	0.514	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.7	35	-169.3	-65.5	0	0	0	0	115	E54 C180	E54-C56 PolarHBondContact O-N 3.03Å; C56-C180 HydrophobicContact CB-CB 4.12Å; C56-C180 WeakPolarHBondContact CB-SG 3Å; C56-C180 VanDerWaalsContact SG-CA 3.55Å; C56-C180 WeakPolarHBondContact SG-CB 3.18Å; C56-C180 CovalentContact SG-SG 2.06Å; C56-C180 PolarHBondContact SG-SG 3Å
57	M	98	Very high	98.1	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.049	23%	0.227	C	C	.	.			trans	-94.7	-10.7	175.5	-62.1	-59.4	-76.4	0	0	113.6	E54 F72 N73 T79	E54-M57 HydrophobicContact CB-CG 3.51Å; E54-M57 HydrophobicContact CG-CG 4.45Å; M57-F72 VanDerWaalsContact C-CD1 3.5Å; M57-F72 HydrophobicContact CB-CD1 3.91Å; M57-F72 CarbonylContact O-C 3.34Å; M57-F72 WeakPolarHBondContact O-CA 3.38Å; M57-N73 HydrophobicContact CE-CB 3.91Å; M57-N73 WeakPolarHBondContact CE-O 3.49Å; M57-N73 PolarHBondContact O-N 2.8Å; M57-T79 WeakPolarHBondContact CG-OG1 3.49Å
58	S	98.3	Very high	98.1	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.028	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	140.3	176	68.2	0	0	0	0	111.2	F178 S179 C180 F181	S58-F178 CarbonylContact C-O 3.58Å; S58-F178 WeakPolarHBondContact CB-O 3.37Å; S58-F178 PolarHBondContact OG-O 3.42Å; S58-S179 WeakPolarHBondContact O-CA 3.45Å; S58-S179 VanDerWaalsContact OG-C 3.27Å; S58-C180 PolarHBondContact OG-N 3.06Å; S58-F181 PolarHBondContact OG-N 3.06Å
59	L	98.4	Very high	98.2	Very high	92 Å²	92	32.2 Å²	32.2	48%	0.482	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-55.1	-176.2	-61.7	175.8	0	0	0	111.1	D71 N73 F178	L59-D71 WeakPolarHBondContact CB-O 3.47Å; L59-D71 PolarHBondContact N-O 2.84Å; L59-N73 HydrophobicContact CD1-CB 4.43Å; L59-N73 HydrophobicContact CD2-CB 4.24Å; L59-N73 HydrophobicContact CG-CB 4.48Å; L59-F178 PolarHBondContact O-N 3.27Å
60	S	98.6	Very high	98.2	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	151.7	-166.8	52.7	0	0	0	0	112.7	V70 D71 K175 A176	S60-V70 VanDerWaalsContact O-CA 3.26Å; S60-V70 WeakPolarHBondContact O-CA 3.29Å; S60-D71 PolarHBondContact O-N 2.87Å; S60-K175 WeakPolarHBondContact OG-CE 3.47Å; S60-K175 PolarHBondContact OG-NZ 3.32Å; S60-A176 CarbonylContact C-O 3.42Å; S60-A176 VanDerWaalsContact CA-O 3.27Å; S60-A176 WeakPolarHBondContact CA-O 3Å; S60-A176 WeakPolarHBondContact CB-O 3.4Å
61	I	98.8	Very high	98.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	133.1	168.6	-169.5	172.7	0	0	0	108.7	V68 Q69 V70 L162 A165 L166 V169 K175 A176 F178	I61-V68 HydrophobicContact CD1-CG2 3.67Å; I61-V68 HydrophobicContact CG1-CG2 3.43Å; I61-V68 VanDerWaalsContact CG1-CG2 3.43Å; I61-Q69 CarbonylContact C-O 3.14Å; I61-Q69 WeakPolarHBondContact CA-O 3.39Å; I61-V70 HydrophobicContact CB-CG2 4.16Å; I61-V70 HydrophobicContact CD1-CG2 4.41Å; I61-V70 HydrophobicContact CG1-CG2 4Å; I61-L162 HydrophobicContact CD1-CG 4.34Å; I61-A165 HydrophobicContact CD1-CB 4.12Å; I61-A165 HydrophobicContact CG2-CB 4.31Å; I61-L166 HydrophobicContact CD1-CD2 4Å; I61-V169 HydrophobicContact CD1-CG2 4.38Å; I61-V169 HydrophobicContact CG1-CG2 4.28Å; I61-V169 HydrophobicContact CG2-CG1 4.13Å; I61-K175 WeakPolarHBondContact O-CA 3.25Å; I61-A176 HydrophobicContact CG2-CB 3.97Å; I61-A176 PolarHBondContact N-O 3.34Å; I61-A176 PolarHBondContact O-N 3.37Å; I61-F178 HydrophobicContact CB-CB 3.88Å; I61-F178 HydrophobicContact CB-CD2 4.35Å; I61-F178 HydrophobicContact CB-CG 4.03Å; I61-F178 HydrophobicContact CG2-CB 3.95Å; I61-F178 HydrophobicContact CG2-CD2 4.16Å; I61-F178 HydrophobicContact CG2-CG 4.21Å
62	T	98.9	Very high	98.2	Very high	22 Å²	22	28.1 Å²	28.1	14%	0.135	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.9	-172.4	-50.7	0	0	0	0	109.8	V68 Q69 K175	T62-V68 CarbonylContact O-C 3.51Å; T62-V68 WeakPolarHBondContact O-CA 3.33Å; T62-Q69 PolarHBondContact N-O 2.93Å; T62-Q69 PolarHBondContact O-N 2.86Å; T62-K175 HydrophobicContact CG2-CB 4.24Å; T62-K175 HydrophobicContact CG2-CG 4.48Å; T62-K175 WeakPolarHBondContact OG1-CG 3.09Å
63	N	98.8	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	108.4	161.7	175.2	-14.3	0	0	0	108.4	G65 V169 R170 F171 G173 T174 L232 M243	N63-G65 VanDerWaalsContact C-N 3.32Å; N63-G65 PolarHBondContact OD1-N 2.7Å; N63-V169 HydrophobicContact CB-CB 4.18Å; N63-V169 WeakPolarHBondContact CB-O 3.27Å; N63-V169 PolarHBondContact ND2-O 2.79Å; N63-V169 VanDerWaalsContact ND2-O 3.11Å; N63-R170 PolarHBondContact ND2-O 2.91Å; N63-F171 WeakPolarHBondContact CB-O 3.46Å; N63-F171 PolarHBondContact ND2-O 2.89Å; N63-G173 WeakPolarHBondContact O-CA 3.46Å; N63-G173 PolarHBondContact O-N 3.18Å; N63-T174 PolarHBondContact N-O 3.02Å; N63-L232 PolarHBondContact ND2-O 2.81Å; N63-M243 WeakPolarHBondContact OD1-CE 3.34Å
64	N	98.2	Very high	98.2	Very high	53 Å²	53	28.5 Å²	28.5	28%	0.283	16%	0.16	S	C	.	.			trans	-91.4	5.9	-177.5	63.4	20.2	0	0	0	113.1	H66 S67 Q69	N64-H66 VanDerWaalsContact C-N 3.31Å; N64-H66 WeakPolarHBondContact OD1-CA 3.03Å; N64-H66 WeakPolarHBondContact OD1-CB 3.47Å; N64-H66 PolarHBondContact OD1-N 2.77Å; N64-S67 PolarHBondContact N-O 2.67Å; N64-S67 PolarHBondContact OD1-N 2.74Å; N64-S67 PolarHBondContact OD1-O 3Å; N64-S67 VanDerWaalsContact OD1-O 3.08Å; N64-Q69 PolarHBondContact ND2-OE1 2.87Å
65	G	98.1	Very high	98.2	Very high	4 Å²	4	27.6 Å²	27.6	4%	0.041	17%	0.165	C	C	.	.	S	Bend	trans	81.2	5.8	-175.5	0	0	0	0	0	114.8	N63 F233	N63-G65 VanDerWaalsContact C-N 3.32Å; N63-G65 PolarHBondContact OD1-N 2.7Å; G65-F233 VanDerWaalsContact O-CD1 3.23Å; G65-F233 WeakPolarHBondContact O-CD1 3.28Å
66	H	98.1	Very high	98.4	Very high	25 Å²	25	27.6 Å²	27.6	12%	0.116	16%	0.159	C	C	.	.	S	Bend	trans	-130.9	-29.3	175.2	-57.4	-72.1	0	0	0	112.1	W7 Y9 N64 N246	W7-H66 AromaticContact CD2-CE1 3.95Å; W7-H66 AromaticContact CE2-CE1 3.7Å; W7-H66 AromaticContact CE2-NE2 3.95Å; W7-H66 AromaticContact CE3-ND1 3.97Å; W7-H66 HydrophobicContact CH2-CB 3.97Å; W7-H66 AromaticContact CH2-CD2 3.9Å; W7-H66 AromaticContact CH2-CE1 3.66Å; W7-H66 AromaticContact CH2-CG 3.46Å; W7-H66 VanDerWaalsContact CH2-CG 3.46Å; W7-H66 AromaticContact CH2-ND1 3.31Å; W7-H66 VanDerWaalsContact CH2-ND1 3.31Å; W7-H66 WeakPolarHBondContact CH2-ND1 3.14Å; W7-H66 AromaticContact CZ2-CD2 3.8Å; W7-H66 AromaticContact CZ2-CE1 3.57Å; W7-H66 AromaticContact CZ2-CG 3.85Å; W7-H66 AromaticContact CZ2-ND1 3.72Å; W7-H66 AromaticContact CZ2-NE2 3.63Å; W7-H66 AromaticContact CZ3-CE1 3.89Å; W7-H66 AromaticContact CZ3-ND1 3.46Å; W7-H66 WeakPolarHBondContact CZ3-ND1 3.3Å; Y9-H66 HydrophobicContact CE2-CB 4.43Å; N64-H66 VanDerWaalsContact C-N 3.31Å; N64-H66 WeakPolarHBondContact OD1-CA 3.03Å; N64-H66 WeakPolarHBondContact OD1-CB 3.47Å; N64-H66 PolarHBondContact OD1-N 2.77Å; H66-N246 PolarHBondContact O-ND2 3.49Å
67	S	98.8	Very high	98.4	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.028	16%	0.158	C	C	.	.			trans	-156.6	173.4	172.7	-179.5	0	0	0	0	109.4	N64 F97 M243	N64-S67 PolarHBondContact N-O 2.67Å; N64-S67 PolarHBondContact OD1-N 2.74Å; N64-S67 PolarHBondContact OD1-O 3Å; N64-S67 VanDerWaalsContact OD1-O 3.08Å; S67-F97 PolarHBondContact OG-N 3.06Å; S67-F97 PolarHBondContact OG-O 2.98Å; S67-M243 WeakPolarHBondContact CA-SD 3.49Å
68	V	98.8	Very high	98.4	Very high	2 Å²	2	34 Å²	34	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.5	150.4	65.5	0	0	0	0	110	I61 T62 H96 F97 W99 L166 V169 F228 L231	I61-V68 HydrophobicContact CD1-CG2 3.67Å; I61-V68 HydrophobicContact CG1-CG2 3.43Å; I61-V68 VanDerWaalsContact CG1-CG2 3.43Å; T62-V68 CarbonylContact O-C 3.51Å; T62-V68 WeakPolarHBondContact O-CA 3.33Å; V68-H96 WeakPolarHBondContact O-CA 3.49Å; V68-H96 WeakPolarHBondContact O-CB 3.5Å; V68-F97 HydrophobicContact CG1-CD2 4.07Å; V68-W99 HydrophobicContact CG1-CH2 4.31Å; V68-W99 HydrophobicContact CG1-CZ3 4.32Å; V68-L166 HydrophobicContact CB-CD2 4.13Å; V68-L166 HydrophobicContact CG1-CD2 4Å; V68-L166 HydrophobicContact CG2-CD2 3.7Å; V68-V169 HydrophobicContact CG2-CG2 4.22Å; V68-F228 HydrophobicContact CG1-CD1 4.11Å; V68-F228 HydrophobicContact CG1-CE1 3.81Å; V68-L231 HydrophobicContact CB-CD1 3.84Å; V68-L231 HydrophobicContact CG1-CD1 4Å
69	Q	98.8	Very high	98.4	Very high	40 Å²	40	34 Å²	34	19%	0.187	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.4	-175.8	179.8	177	-51.6	0	0	110.2	I61 T62 N64 D71 Q94 F95 H96	I61-Q69 CarbonylContact C-O 3.14Å; I61-Q69 WeakPolarHBondContact CA-O 3.39Å; T62-Q69 PolarHBondContact N-O 2.93Å; T62-Q69 PolarHBondContact O-N 2.86Å; N64-Q69 PolarHBondContact ND2-OE1 2.87Å; Q69-D71 PolarHBondContact NE2-OD1 2.93Å; Q69-Q94 HydrophobicContact CG-CB 3.88Å; Q69-Q94 HydrophobicContact CG-CG 4.22Å; Q69-F95 CarbonylContact C-O 3.07Å; Q69-F95 WeakPolarHBondContact CA-O 3.29Å; Q69-H96 HydrophobicContact CB-CB 4.19Å; Q69-H96 HydrophobicContact CG-CB 4.39Å
70	V	98.8	Very high	98.4	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	119	170.4	179.5	0	0	0	0	109.5	S60 I61 F72 Q94 F95 F178	S60-V70 VanDerWaalsContact O-CA 3.26Å; S60-V70 WeakPolarHBondContact O-CA 3.29Å; I61-V70 HydrophobicContact CB-CG2 4.16Å; I61-V70 HydrophobicContact CD1-CG2 4.41Å; I61-V70 HydrophobicContact CG1-CG2 4Å; V70-F72 HydrophobicContact CB-CE2 4.22Å; V70-F72 HydrophobicContact CG1-CD2 4.37Å; V70-F72 HydrophobicContact CG1-CE2 3.66Å; V70-F72 HydrophobicContact CG1-CZ 4.13Å; V70-Q94 CarbonylContact O-C 3.56Å; V70-Q94 WeakPolarHBondContact O-CA 3.45Å; V70-Q94 VanDerWaalsContact O-CB 3.31Å; V70-Q94 WeakPolarHBondContact O-CB 3.26Å; V70-F95 HydrophobicContact CB-CD1 4.17Å; V70-F95 HydrophobicContact CB-CD2 4.33Å; V70-F95 HydrophobicContact CB-CE1 3.69Å; V70-F95 HydrophobicContact CB-CE2 3.84Å; V70-F95 HydrophobicContact CB-CG 4.46Å; V70-F95 HydrophobicContact CB-CZ 3.5Å; V70-F95 HydrophobicContact CG1-CE1 3.95Å; V70-F95 HydrophobicContact CG1-CZ 4.06Å; V70-F95 HydrophobicContact CG2-CD2 4.48Å; V70-F95 HydrophobicContact CG2-CE1 4.13Å; V70-F95 HydrophobicContact CG2-CE2 3.62Å; V70-F95 HydrophobicContact CG2-CZ 3.41Å; V70-F95 VanDerWaalsContact CG2-CZ 3.41Å; V70-F95 PolarHBondContact N-O 3Å; V70-F95 PolarHBondContact O-N 2.93Å; V70-F178 HydrophobicContact CG1-CD1 3.83Å; V70-F178 HydrophobicContact CG1-CE1 4.42Å; V70-F178 HydrophobicContact CG2-CD1 3.95Å; V70-F178 HydrophobicContact CG2-CE1 4.11Å
71	D	98.8	Very high	98.4	Very high	33 Å²	33	30 Å²	30	18%	0.176	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	146.4	179	-61.5	-58	0	0	0	111.6	L59 S60 Q69	L59-D71 WeakPolarHBondContact CB-O 3.47Å; L59-D71 PolarHBondContact N-O 2.84Å; S60-D71 PolarHBondContact O-N 2.87Å; Q69-D71 PolarHBondContact NE2-OD1 2.93Å
72	F	98.8	Very high	98.4	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.013	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	153.7	180	-73.9	-102.1	0	0	0	111.4	M57 V70 D74 L92 K93 F95 P183	M57-F72 VanDerWaalsContact C-CD1 3.5Å; M57-F72 HydrophobicContact CB-CD1 3.91Å; M57-F72 CarbonylContact O-C 3.34Å; M57-F72 WeakPolarHBondContact O-CA 3.38Å; V70-F72 HydrophobicContact CB-CE2 4.22Å; V70-F72 HydrophobicContact CG1-CD2 4.37Å; V70-F72 HydrophobicContact CG1-CE2 3.66Å; V70-F72 HydrophobicContact CG1-CZ 4.13Å; F72-D74 PolarHBondContact O-N 2.87Å; F72-L92 HydrophobicContact CB-CG 4.46Å; F72-L92 HydrophobicContact CD1-CD2 3.88Å; F72-L92 HydrophobicContact CD2-CD2 3.79Å; F72-L92 HydrophobicContact CD2-CG 4.12Å; F72-L92 HydrophobicContact CE1-CD2 4Å; F72-L92 HydrophobicContact CE2-CD2 3.92Å; F72-L92 HydrophobicContact CG-CD2 3.79Å; F72-L92 HydrophobicContact CG-CG 4.15Å; F72-L92 HydrophobicContact CZ-CD2 4.02Å; F72-K93 PolarHBondContact N-O 2.93Å; F72-F95 AromaticContact CE2-CD1 3.44Å; F72-F95 HydrophobicContact CE2-CD1 3.44Å; F72-F95 VanDerWaalsContact CE2-CD1 3.44Å; F72-F95 AromaticContact CE2-CE1 3.59Å; F72-F95 HydrophobicContact CE2-CE1 3.59Å; F72-F95 AromaticContact CZ-CD1 3.88Å; F72-F95 HydrophobicContact CZ-CD1 3.88Å; F72-F95 AromaticContact CZ-CE1 3.69Å; F72-F95 HydrophobicContact CZ-CE1 3.69Å; F72-P183 HydrophobicContact CE1-CG 3.89Å; F72-P183 HydrophobicContact CZ-CB 4.19Å; F72-P183 HydrophobicContact CZ-CG 3.84Å
73	N	98.6	Very high	98.4	Very high	56 Å²	56	31.4 Å²	31.4	30%	0.299	17%	0.169	S	C	.	.			trans	-71.5	117.8	166.6	-175.1	-6.8	0	0	0	109.6	M57 L59 S75	M57-N73 HydrophobicContact CE-CB 3.91Å; M57-N73 WeakPolarHBondContact CE-O 3.49Å; M57-N73 PolarHBondContact O-N 2.8Å; L59-N73 HydrophobicContact CD1-CB 4.43Å; L59-N73 HydrophobicContact CD2-CB 4.24Å; L59-N73 HydrophobicContact CG-CB 4.48Å; N73-S75 VanDerWaalsContact OD1-CB 3.25Å; N73-S75 WeakPolarHBondContact OD1-CB 3.28Å; N73-S75 PolarHBondContact OD1-N 3.35Å; N73-S75 PolarHBondContact OD1-OG 3.13Å
74	D	98.4	Very high	98.4	Very high	27 Å²	27	31.8 Å²	31.8	14%	0.144	17%	0.172	C	C	.	.			trans	-112.1	22.7	179.9	62.2	-28.1	0	0	0	113	F72 D76 R91 K93 W125	F72-D74 PolarHBondContact O-N 2.87Å; D74-D76 VanDerWaalsContact C-N 3.26Å; D74-D76 PolarHBondContact O-N 3.01Å; D74-R91 HydrophobicContact CB-CB 4.3Å; D74-R91 WeakPolarHBondContact O-CD 3.36Å; D74-R91 PolarHBondContact O-NH1 2.91Å; D74-K93 HydrophobicContact CB-CD 4.48Å; D74-K93 IonicContact OD1-NZ 3.53Å; D74-K93 PolarHBondContact OD1-NZ 2.58Å; D74-K93 WeakPolarHBondContact OD2-CD 3.29Å; D74-K93 IonicContact OD2-NZ 3.85Å; D74-K93 PolarHBondContact OD2-NZ 3.11Å; D74-W125 PolarHBondContact OD2-NE1 3.01Å
75	S	97.9	Very high	98.5	Very high	79 Å²	79	31.2 Å²	31.2	55%	0.552	17%	0.172	S	C	*	.	S	Bend	trans	-69.3	-21.4	178.2	66	0	0	0	0	113.9	N73 R91	N73-S75 VanDerWaalsContact OD1-CB 3.25Å; N73-S75 WeakPolarHBondContact OD1-CB 3.28Å; N73-S75 PolarHBondContact OD1-N 3.35Å; N73-S75 PolarHBondContact OD1-OG 3.13Å; S75-R91 PolarHBondContact O-NH1 3.21Å
76	D	97.6	Very high	98.5	Very high	43 Å²	43	31.9 Å²	31.9	23%	0.23	17%	0.174	C	C	.	.	S	Bend	trans	-140.9	175.5	-177.1	61.9	54.3	0	0	0	112.5	D74 R78 R91	D74-D76 VanDerWaalsContact C-N 3.26Å; D74-D76 PolarHBondContact O-N 3.01Å; D76-R78 VanDerWaalsContact C-N 3.32Å; D76-R78 PolarHBondContact O-N 3.01Å; D76-R78 WeakPolarHBondContact OD1-CB 3.48Å; D76-R78 VanDerWaalsContact OD1-CG 3.22Å; D76-R78 WeakPolarHBondContact OD1-CG 3.37Å; D76-R78 IonicContact OD1-CZ 2.95Å; D76-R78 PolarHBondContact OD1-N 3.45Å; D76-R78 VanDerWaalsContact OD1-N 3.13Å; D76-R78 IonicContact OD1-NE 2.79Å; D76-R78 PolarHBondContact OD1-NE 2.9Å; D76-R78 IonicContact OD1-NH2 2.95Å; D76-R78 IonicContact OD2-CZ 3.49Å; D76-R78 VanDerWaalsContact OD2-CZ 3.22Å; D76-R78 IonicContact OD2-NE 3.97Å; D76-R78 PolarHBondContact OD2-NE 2.68Å; D76-R78 IonicContact OD2-NH2 3.11Å; D76-R78 PolarHBondContact OD2-NH2 2.81Å; D76-R91 WeakPolarHBondContact O-CD 3.46Å; D76-R91 PolarHBondContact O-NE 3.42Å
77	D	97.3	Very high	98.4	Very high	93 Å²	93	39.7 Å²	39.7	50%	0.497	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	19.2	-172.7	-60.6	-25.5	0	0	0	113.6	V80 R91	D77-V80 HydrophobicContact CB-CG1 4.33Å; D77-V80 WeakPolarHBondContact O-CG1 3.43Å; D77-R91 IonicContact OD1-CZ 3.69Å; D77-R91 IonicContact OD1-NE 3.6Å; D77-R91 PolarHBondContact OD1-NE 3.26Å; D77-R91 IonicContact OD1-NH2 2.71Å; D77-R91 PolarHBondContact OD1-NH2 3.01Å; D77-R91 IonicContact OD2-NH2 3.22Å
78	R	97.6	Very high	98.4	Very high	127 Å²	127	40.1 Å²	40.1	48%	0.479	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-29.1	-176	-73	-177	-71.8	174	-8.4	114.5	E54 D76	E54-R78 HydrophobicContact CG-CB 3.77Å; D76-R78 VanDerWaalsContact C-N 3.32Å; D76-R78 PolarHBondContact O-N 3.01Å; D76-R78 WeakPolarHBondContact OD1-CB 3.48Å; D76-R78 VanDerWaalsContact OD1-CG 3.22Å; D76-R78 WeakPolarHBondContact OD1-CG 3.37Å; D76-R78 IonicContact OD1-CZ 2.95Å; D76-R78 PolarHBondContact OD1-N 3.45Å; D76-R78 VanDerWaalsContact OD1-N 3.13Å; D76-R78 IonicContact OD1-NE 2.79Å; D76-R78 PolarHBondContact OD1-NE 2.9Å; D76-R78 IonicContact OD1-NH2 2.95Å; D76-R78 IonicContact OD2-CZ 3.49Å; D76-R78 VanDerWaalsContact OD2-CZ 3.22Å; D76-R78 IonicContact OD2-NE 3.97Å; D76-R78 PolarHBondContact OD2-NE 2.68Å; D76-R78 IonicContact OD2-NH2 3.11Å; D76-R78 PolarHBondContact OD2-NH2 2.81Å
79	T	98.6	Very high	98.4	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.025	23%	0.228	C	C	.	.	S	Bend	trans	-121.1	95.1	-178.2	-61.2	0	0	0	0	109.6	S52 Y53 E54 M57 L92	S52-T79 CarbonylContact O-C 3.55Å; S52-T79 WeakPolarHBondContact O-CA 3.37Å; Y53-T79 HydrophobicContact CD1-CG2 3.44Å; Y53-T79 VanDerWaalsContact CD1-CG2 3.44Å; Y53-T79 HydrophobicContact CE1-CG2 4.2Å; Y53-T79 HydrophobicContact CG-CG2 4.06Å; E54-T79 PolarHBondContact N-OG1 3.01Å; M57-T79 WeakPolarHBondContact CG-OG1 3.49Å; T79-L92 HydrophobicContact CG2-CB 3.63Å; T79-L92 HydrophobicContact CG2-CD2 3.63Å; T79-L92 HydrophobicContact CG2-CG 4.26Å; T79-L92 PolarHBondContact O-N 2.71Å
80	V	98.9	Very high	98.4	Very high	15 Å²	15	40.3 Å²	40.3	9%	0.091	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	156.3	-169.5	-63.1	0	0	0	0	112.9	S52 Y53 D77 P89 Y90 R91	S52-V80 PolarHBondContact N-O 2.8Å; S52-V80 PolarHBondContact O-N 3.16Å; Y53-V80 WeakPolarHBondContact CE1-O 3.25Å; D77-V80 HydrophobicContact CB-CG1 4.33Å; D77-V80 WeakPolarHBondContact O-CG1 3.43Å; V80-P89 HydrophobicContact CB-CB 4.2Å; V80-P89 HydrophobicContact CG1-CB 4.28Å; V80-P89 HydrophobicContact CG2-CB 4.32Å; V80-Y90 CarbonylContact C-O 3.56Å; V80-Y90 WeakPolarHBondContact CA-O 3.19Å; V80-Y90 WeakPolarHBondContact CB-O 3.25Å; V80-R91 HydrophobicContact CG1-CG 4.22Å
81	V	98.9	Very high	98.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	140.3	159.2	62	0	0	0	0	109.1	L49 E50 L51 L86 P89 Y90 H124 A144 V146 I212	L49-V81 HydrophobicContact CD1-CG2 3.71Å; E50-V81 WeakPolarHBondContact O-CA 3.18Å; L51-V81 HydrophobicContact CD2-CB 3.87Å; L51-V81 HydrophobicContact CD2-CG2 3.49Å; L51-V81 VanDerWaalsContact CD2-CG2 3.49Å; V81-L86 HydrophobicContact CB-CD1 4.44Å; V81-L86 HydrophobicContact CG1-CD1 3.78Å; V81-L86 HydrophobicContact CG2-CD1 3.98Å; V81-P89 WeakPolarHBondContact O-CA 3.39Å; V81-Y90 PolarHBondContact N-O 3.02Å; V81-Y90 PolarHBondContact O-N 2.78Å; V81-H124 HydrophobicContact CG1-CB 3.84Å; V81-H124 VanDerWaalsContact CG1-CD2 3.5Å; V81-H124 WeakPolarHBondContact CG1-CD2 3.43Å; V81-H124 VanDerWaalsContact CG1-CG 3.45Å; V81-A144 HydrophobicContact CG1-CB 4.25Å; V81-V146 HydrophobicContact CG2-CG2 4.16Å; V81-I212 HydrophobicContact CG2-CD1 4.45Å
82	T	98.8	Very high	98.4	Very high	38 Å²	38	40.9 Å²	40.9	23%	0.233	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	172	176.4	-168.2	0	0	0	0	111.2	E50	E50-T82 HydrophobicContact CB-CG2 3.82Å; E50-T82 PolarHBondContact N-O 3.07Å; E50-T82 PolarHBondContact O-N 3.09Å
83	G	98.7	Very high	98.4	Very high	13 Å²	13	43.6 Å²	43.6	13%	0.134	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.4	-155.2	-177.8	0	0	0	0	0	112.3	P48 L86	P48-G83 WeakPolarHBondContact O-CA 3.24Å; G83-L86 WeakPolarHBondContact O-CB 3.4Å; G83-L86 PolarHBondContact O-N 3.49Å
84	G	98.7	Very high	98.4	Very high	7 Å²	7	41.9 Å²	41.9	7%	0.072	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	-123.3	-173	0	0	0	0	0	113.6	Q47 P48 L86 Y193	Q47-G84 PolarHBondContact N-O 2.79Å; Q47-G84 WeakPolarHBondContact O-CA 3.36Å; Q47-G84 PolarHBondContact O-N 3.04Å; P48-G84 PolarHBondContact O-N 2.85Å; G84-L86 VanDerWaalsContact C-N 3.34Å; G84-Y193 WeakPolarHBondContact CA-OH 3.37Å
85	P	98.6	Very high	98.4	Very high	42 Å²	42	40.6 Å²	40.6	27%	0.273	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-2.4	177.2	37.5	-37.5	0	0	0	113.7	L46 T195 T210 I212	L46-P85 HydrophobicContact CD2-CB 4.03Å; P85-T195 HydrophobicContact CB-CG2 4.04Å; P85-T195 HydrophobicContact CG-CG2 4.15Å; P85-T195 WeakPolarHBondContact CG-OG1 3.28Å; P85-T210 HydrophobicContact CB-CG2 4.28Å; P85-T210 HydrophobicContact CG-CG2 3.83Å; P85-I212 HydrophobicContact CG-CD1 4.06Å; P85-I212 HydrophobicContact CG-CG1 4.02Å
86	L	98.8	Very high	98.5	Very high	18 Å²	18	37.7 Å²	37.7	9%	0.094	19%	0.193	C	C	.	.			trans	-88.3	138.5	-171.6	-52.3	178.2	0	0	0	111	V81 G83 G84 G88 Y90 A144 T210 I212	V81-L86 HydrophobicContact CB-CD1 4.44Å; V81-L86 HydrophobicContact CG1-CD1 3.78Å; V81-L86 HydrophobicContact CG2-CD1 3.98Å; G83-L86 WeakPolarHBondContact O-CB 3.4Å; G83-L86 PolarHBondContact O-N 3.49Å; G84-L86 VanDerWaalsContact C-N 3.34Å; L86-G88 VanDerWaalsContact C-N 3.27Å; L86-G88 PolarHBondContact O-N 3.05Å; L86-Y90 HydrophobicContact CB-CD2 4.43Å; L86-Y90 HydrophobicContact CB-CE2 4.15Å; L86-Y90 HydrophobicContact CD1-CD2 3.99Å; L86-Y90 HydrophobicContact CD1-CE2 4.39Å; L86-Y90 HydrophobicContact CD2-CD2 4.44Å; L86-Y90 HydrophobicContact CD2-CE2 4.11Å; L86-Y90 HydrophobicContact CG-CE2 4.45Å; L86-A144 HydrophobicContact CD1-CB 4.02Å; L86-A144 HydrophobicContact CD2-CB 3.77Å; L86-T210 HydrophobicContact CD2-CG2 3.9Å; L86-I212 HydrophobicContact CD1-CD1 4.08Å; L86-I212 HydrophobicContact CD2-CD1 4.33Å; L86-I212 HydrophobicContact CG-CD1 4.16Å
87	E	97.1	Very high	98.5	Very high	188 Å²	188	35.7 Å²	35.7	88%	0.879	18%	0.182	S	C	*	.	S	Bend	trans	-75	-16.1	176.8	-62.9	-175.4	172.6	0	0	113.3
88	G	97.6	Very high	98.6	Very high	14 Å²	14	31.4 Å²	31.4	14%	0.144	16%	0.159	C	C	.	.	S	Bend	trans	-169.5	-174.6	-177.6	0	0	0	0	0	112.3	L86 Y90	L86-G88 VanDerWaalsContact C-N 3.27Å; L86-G88 PolarHBondContact O-N 3.05Å; G88-Y90 VanDerWaalsContact O-CD2 3.28Å; G88-Y90 WeakPolarHBondContact O-CD2 3.36Å
89	P	98.6	Very high	98.7	Very high	39 Å²	39	25.3 Å²	25.3	25%	0.253	14%	0.136	S	C	.	.			trans	-75	141.9	-177.5	30.4	-34.9	0	0	0	112.7	V80 V81	V80-P89 HydrophobicContact CB-CB 4.2Å; V80-P89 HydrophobicContact CG1-CB 4.28Å; V80-P89 HydrophobicContact CG2-CB 4.32Å; V81-P89 WeakPolarHBondContact O-CA 3.39Å
90	Y	98.9	Very high	98.7	Very high	6 Å²	6	25.1 Å²	25.1	2%	0.024	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.1	174.4	-72.6	-126.1	0	0	0	109.3	V80 V81 L86 G88 W125 N126 D141 A144	V80-Y90 CarbonylContact C-O 3.56Å; V80-Y90 WeakPolarHBondContact CA-O 3.19Å; V80-Y90 WeakPolarHBondContact CB-O 3.25Å; V81-Y90 PolarHBondContact N-O 3.02Å; V81-Y90 PolarHBondContact O-N 2.78Å; L86-Y90 HydrophobicContact CB-CD2 4.43Å; L86-Y90 HydrophobicContact CB-CE2 4.15Å; L86-Y90 HydrophobicContact CD1-CD2 3.99Å; L86-Y90 HydrophobicContact CD1-CE2 4.39Å; L86-Y90 HydrophobicContact CD2-CD2 4.44Å; L86-Y90 HydrophobicContact CD2-CE2 4.11Å; L86-Y90 HydrophobicContact CG-CE2 4.45Å; G88-Y90 VanDerWaalsContact O-CD2 3.28Å; G88-Y90 WeakPolarHBondContact O-CD2 3.36Å; Y90-W125 CarbonylContact C-O 3.43Å; Y90-W125 VanDerWaalsContact CA-O 3.28Å; Y90-W125 WeakPolarHBondContact CA-O 3.48Å; Y90-W125 VanDerWaalsContact CD1-C 3.48Å; Y90-N126 HydrophobicContact CD1-CB 3.88Å; Y90-N126 HydrophobicContact CE1-CB 3.52Å; Y90-N126 HydrophobicContact CE2-CB 4.22Å; Y90-N126 HydrophobicContact CG-CB 4.39Å; Y90-N126 PolarHBondContact OH-ND2 3.3Å; Y90-D141 PolarHBondContact OH-O 2.89Å; Y90-A144 HydrophobicContact CD1-CB 3.59Å; Y90-A144 HydrophobicContact CE1-CB 4Å; Y90-A144 HydrophobicContact CG-CB 3.9Å
91	R	98.9	Very high	98.7	Very high	45 Å²	45	31.1 Å²	31.1	17%	0.17	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	132.8	-178.1	-63.8	-176.1	-174.3	172.1	0.4	111.2	D74 S75 D76 D77 V80 K93 H124 W125 A127	D74-R91 HydrophobicContact CB-CB 4.3Å; D74-R91 WeakPolarHBondContact O-CD 3.36Å; D74-R91 PolarHBondContact O-NH1 2.91Å; S75-R91 PolarHBondContact O-NH1 3.21Å; D76-R91 WeakPolarHBondContact O-CD 3.46Å; D76-R91 PolarHBondContact O-NE 3.42Å; D77-R91 IonicContact OD1-CZ 3.69Å; D77-R91 IonicContact OD1-NE 3.6Å; D77-R91 PolarHBondContact OD1-NE 3.26Å; D77-R91 IonicContact OD1-NH2 2.71Å; D77-R91 PolarHBondContact OD1-NH2 3.01Å; D77-R91 IonicContact OD2-NH2 3.22Å; V80-R91 HydrophobicContact CG1-CG 4.22Å; R91-K93 PolarHBondContact O-N 3.49Å; R91-H124 CarbonylContact O-C 3.59Å; R91-H124 WeakPolarHBondContact O-CA 3.49Å; R91-H124 WeakPolarHBondContact O-CB 3.41Å; R91-W125 PolarHBondContact N-O 2.9Å; R91-W125 PolarHBondContact O-N 3.1Å; R91-A127 VanDerWaalsContact CD-CB 3.5Å; R91-A127 HydrophobicContact CG-CB 3.93Å
92	L	98.9	Very high	98.5	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	121	172.7	-179.6	65.7	0	0	0	109.5	F72 T79 Q94 L122 H124 P183	F72-L92 HydrophobicContact CB-CG 4.46Å; F72-L92 HydrophobicContact CD1-CD2 3.88Å; F72-L92 HydrophobicContact CD2-CD2 3.79Å; F72-L92 HydrophobicContact CD2-CG 4.12Å; F72-L92 HydrophobicContact CE1-CD2 4Å; F72-L92 HydrophobicContact CE2-CD2 3.92Å; F72-L92 HydrophobicContact CG-CD2 3.79Å; F72-L92 HydrophobicContact CG-CG 4.15Å; F72-L92 HydrophobicContact CZ-CD2 4.02Å; T79-L92 HydrophobicContact CG2-CB 3.63Å; T79-L92 HydrophobicContact CG2-CD2 3.63Å; T79-L92 HydrophobicContact CG2-CG 4.26Å; T79-L92 PolarHBondContact O-N 2.71Å; L92-Q94 WeakPolarHBondContact CD1-O 3.35Å; L92-L122 HydrophobicContact CD1-CB 3.95Å; L92-L122 HydrophobicContact CD1-CD2 4.44Å; L92-H124 VanDerWaalsContact CA-CD2 3.46Å; L92-H124 WeakPolarHBondContact CA-CD2 3.36Å; L92-P183 HydrophobicContact CD2-CB 4.39Å; L92-P183 HydrophobicContact CD2-CG 3.7Å
93	K	98.9	Very high	98.3	Very high	61 Å²	61	41.6 Å²	41.6	27%	0.265	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-48.6	174.6	-178	61.2	176.2	-178.9	0	111.7	F72 D74 R91 V123 F133	F72-K93 PolarHBondContact N-O 2.93Å; D74-K93 HydrophobicContact CB-CD 4.48Å; D74-K93 IonicContact OD1-NZ 3.53Å; D74-K93 PolarHBondContact OD1-NZ 2.58Å; D74-K93 WeakPolarHBondContact OD2-CD 3.29Å; D74-K93 IonicContact OD2-NZ 3.85Å; D74-K93 PolarHBondContact OD2-NZ 3.11Å; R91-K93 PolarHBondContact O-N 3.49Å; K93-V123 PolarHBondContact N-O 3.14Å; K93-F133 HydrophobicContact CB-CD2 4.22Å; K93-F133 HydrophobicContact CB-CE2 4.23Å; K93-F133 HydrophobicContact CG-CD2 4.07Å; K93-F133 HydrophobicContact CG-CE2 4.23Å
94	Q	98.9	Very high	98.1	Very high	19 Å²	19	45.2 Å²	45.2	9%	0.089	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	164.1	-173.6	55.8	84.1	-8.3	0	0	110.5	Q69 V70 L92 H96 V123	Q69-Q94 HydrophobicContact CG-CB 3.88Å; Q69-Q94 HydrophobicContact CG-CG 4.22Å; V70-Q94 CarbonylContact O-C 3.56Å; V70-Q94 WeakPolarHBondContact O-CA 3.45Å; V70-Q94 VanDerWaalsContact O-CB 3.31Å; V70-Q94 WeakPolarHBondContact O-CB 3.26Å; L92-Q94 WeakPolarHBondContact CD1-O 3.35Å; Q94-H96 PolarHBondContact NE2-CE1 3.45Å; Q94-H96 PolarHBondContact NE2-ND1 3.33Å; Q94-H96 PolarHBondContact OE1-ND1 2.96Å; Q94-V123 HydrophobicContact CG-CB 4.29Å; Q94-V123 PolarHBondContact O-N 3.38Å
95	F	98.9	Very high	98.1	Very high	1 Å²	1	47 Å²	47	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	155.9	156.4	71.9	-107.4	0	0	0	112	Q69 V70 F72 F97 L120 H121 L122 L162 F181 P183 L186	Q69-F95 CarbonylContact C-O 3.07Å; Q69-F95 WeakPolarHBondContact CA-O 3.29Å; V70-F95 HydrophobicContact CB-CD1 4.17Å; V70-F95 HydrophobicContact CB-CD2 4.33Å; V70-F95 HydrophobicContact CB-CE1 3.69Å; V70-F95 HydrophobicContact CB-CE2 3.84Å; V70-F95 HydrophobicContact CB-CG 4.46Å; V70-F95 HydrophobicContact CB-CZ 3.5Å; V70-F95 HydrophobicContact CG1-CE1 3.95Å; V70-F95 HydrophobicContact CG1-CZ 4.06Å; V70-F95 HydrophobicContact CG2-CD2 4.48Å; V70-F95 HydrophobicContact CG2-CE1 4.13Å; V70-F95 HydrophobicContact CG2-CE2 3.62Å; V70-F95 HydrophobicContact CG2-CZ 3.41Å; V70-F95 VanDerWaalsContact CG2-CZ 3.41Å; V70-F95 PolarHBondContact N-O 3Å; V70-F95 PolarHBondContact O-N 2.93Å; F72-F95 AromaticContact CE2-CD1 3.44Å; F72-F95 HydrophobicContact CE2-CD1 3.44Å; F72-F95 VanDerWaalsContact CE2-CD1 3.44Å; F72-F95 AromaticContact CE2-CE1 3.59Å; F72-F95 HydrophobicContact CE2-CE1 3.59Å; F72-F95 AromaticContact CZ-CD1 3.88Å; F72-F95 HydrophobicContact CZ-CD1 3.88Å; F72-F95 AromaticContact CZ-CE1 3.69Å; F72-F95 HydrophobicContact CZ-CE1 3.69Å; F95-F97 AromaticContact CD2-CE2 3.85Å; F95-F97 HydrophobicContact CD2-CE2 3.85Å; F95-F97 HydrophobicContact CD2-CZ 4.18Å; F95-F97 AromaticContact CE2-CE2 3.64Å; F95-F97 HydrophobicContact CE2-CE2 3.64Å; F95-F97 AromaticContact CE2-CZ 3.94Å; F95-F97 HydrophobicContact CE2-CZ 3.94Å; F95-L120 HydrophobicContact CB-CD1 3.77Å; F95-L120 HydrophobicContact CD2-CD1 3.56Å; F95-L120 HydrophobicContact CE2-CD1 4.46Å; F95-L120 HydrophobicContact CG-CD1 3.89Å; F95-H121 CarbonylContact C-O 3.4Å; F95-H121 WeakPolarHBondContact CA-O 3.34Å; F95-H121 VanDerWaalsContact CB-O 3.26Å; F95-H121 WeakPolarHBondContact CB-O 3.44Å; F95-L122 HydrophobicContact CB-CB 4.4Å; F95-L122 HydrophobicContact CB-CD2 4.3Å; F95-L122 HydrophobicContact CB-CG 4.05Å; F95-L162 HydrophobicContact CE2-CD1 3.71Å; F95-L162 HydrophobicContact CZ-CD1 3.92Å; F95-F181 AromaticContact CE1-CD1 3.89Å; F95-F181 HydrophobicContact CE1-CD1 3.89Å; F95-F181 AromaticContact CE1-CE1 3.78Å; F95-F181 HydrophobicContact CE1-CE1 3.78Å; F95-F181 AromaticContact CZ-CD1 3.98Å; F95-F181 HydrophobicContact CZ-CD1 3.98Å; F95-F181 AromaticContact CZ-CE1 3.62Å; F95-F181 HydrophobicContact CZ-CE1 3.62Å; F95-F181 HydrophobicContact CZ-CZ 4.48Å; F95-P183 HydrophobicContact CD1-CB 4.17Å; F95-P183 HydrophobicContact CE1-CB 4.25Å; F95-L186 HydrophobicContact CE2-CD1 4.27Å; F95-L186 HydrophobicContact CZ-CD1 4.16Å
96	H	98.9	Very high	98.1	Very high	18 Å²	18	45 Å²	45	8%	0.083	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	177.5	177.5	62	-76.2	0	0	0	111.1	V68 Q69 Q94 H98 L120 H121	V68-H96 WeakPolarHBondContact O-CA 3.49Å; V68-H96 WeakPolarHBondContact O-CB 3.5Å; Q69-H96 HydrophobicContact CB-CB 4.19Å; Q69-H96 HydrophobicContact CG-CB 4.39Å; Q94-H96 PolarHBondContact NE2-CE1 3.45Å; Q94-H96 PolarHBondContact NE2-ND1 3.33Å; Q94-H96 PolarHBondContact OE1-ND1 2.96Å; H96-H98 AromaticContact CD2-NE2 3.49Å; H96-H98 PolarHBondContact CD2-NE2 2.67Å; H96-H98 AromaticContact NE2-NE2 3.39Å; H96-H98 PolarHBondContact NE2-NE2 3.24Å; H96-L120 WeakPolarHBondContact O-CA 3.22Å; H96-L120 WeakPolarHBondContact O-CD1 3.16Å; H96-H121 PolarHBondContact N-O 3.31Å; H96-H121 AromaticContact NE2-ND1 3.72Å; H96-H121 PolarHBondContact O-N 3.38Å
97	F	98.9	Very high	98.1	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.4	-174.7	-56.4	-100.1	0	0	0	112.1	S67 V68 F95 W99 E119 L120 L150 M159 L162 L186 F228 N246	S67-F97 PolarHBondContact OG-N 3.06Å; S67-F97 PolarHBondContact OG-O 2.98Å; V68-F97 HydrophobicContact CG1-CD2 4.07Å; F95-F97 AromaticContact CD2-CE2 3.85Å; F95-F97 HydrophobicContact CD2-CE2 3.85Å; F95-F97 HydrophobicContact CD2-CZ 4.18Å; F95-F97 AromaticContact CE2-CE2 3.64Å; F95-F97 HydrophobicContact CE2-CE2 3.64Å; F95-F97 AromaticContact CE2-CZ 3.94Å; F95-F97 HydrophobicContact CE2-CZ 3.94Å; F97-W99 HydrophobicContact CB-CE3 3.76Å; F97-W99 HydrophobicContact CB-CZ3 3.87Å; F97-W99 VanDerWaalsContact O-CZ3 3.25Å; F97-W99 WeakPolarHBondContact O-CZ3 3.34Å; F97-E119 CarbonylContact C-O 3.51Å; F97-E119 VanDerWaalsContact CA-O 3.31Å; F97-E119 WeakPolarHBondContact CA-O 3.19Å; F97-L120 HydrophobicContact CD1-CB 3.79Å; F97-L120 HydrophobicContact CD1-CD1 4.11Å; F97-L120 HydrophobicContact CE1-CB 3.74Å; F97-L120 HydrophobicContact CE1-CD1 3.73Å; F97-L120 HydrophobicContact CE1-CD2 4.35Å; F97-L120 HydrophobicContact CE1-CG 4.15Å; F97-L120 HydrophobicContact CE2-CD1 4.27Å; F97-L120 HydrophobicContact CZ-CD1 3.82Å; F97-L150 HydrophobicContact CD1-CD1 4.4Å; F97-L150 HydrophobicContact CD1-CD2 4.25Å; F97-L150 HydrophobicContact CE1-CD2 4.13Å; F97-M159 HydrophobicContact CE1-CE 4.02Å; F97-M159 HydrophobicContact CZ-CE 4.15Å; F97-M159 HydrophobicContact CZ-SD 4.48Å; F97-L162 HydrophobicContact CE2-CD1 3.77Å; F97-L162 HydrophobicContact CE2-CD2 4.37Å; F97-L162 HydrophobicContact CZ-CD1 3.88Å; F97-L186 HydrophobicContact CZ-CD1 4.21Å; F97-F228 HydrophobicContact CB-CE1 4.2Å; F97-F228 HydrophobicContact CD1-CE1 4.28Å; F97-F228 HydrophobicContact CD1-CZ 4.23Å; F97-F228 AromaticContact CD2-CE1 3.64Å; F97-F228 HydrophobicContact CD2-CE1 3.64Å; F97-F228 HydrophobicContact CD2-CZ 4.12Å; F97-F228 HydrophobicContact CE1-CZ 4.18Å; F97-F228 AromaticContact CE2-CE1 3.98Å; F97-F228 HydrophobicContact CE2-CE1 3.98Å; F97-F228 HydrophobicContact CE2-CZ 4.07Å; F97-F228 AromaticContact CG-CE1 3.8Å; F97-F228 HydrophobicContact CG-CE1 3.8Å; F97-F228 HydrophobicContact CG-CZ 4.2Å; F97-F228 HydrophobicContact CZ-CE1 4.44Å; F97-F228 HydrophobicContact CZ-CZ 4.1Å; F97-N246 PolarHBondContact O-ND2 3.06Å
98	H	98.9	Very high	98.2	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.1	167.3	-65.3	-89.8	0	0	0	108.5	H96 G106 E108 S118 E119 H121 N246 F247	H96-H98 AromaticContact CD2-NE2 3.49Å; H96-H98 PolarHBondContact CD2-NE2 2.67Å; H96-H98 AromaticContact NE2-NE2 3.39Å; H96-H98 PolarHBondContact NE2-NE2 3.24Å; H98-G106 CarbonylContact C-O 3.5Å; H98-E108 HydrophobicContact CB-CG 3.63Å; H98-E108 IonicContact CD2-OE2 2.67Å; H98-E108 IonicContact CE1-OE1 3.07Å; H98-E108 IonicContact CE1-OE2 3.97Å; H98-E108 VanDerWaalsContact CG-CG 3.48Å; H98-E108 IonicContact CG-OE2 3.84Å; H98-E108 IonicContact ND1-OE1 3.37Å; H98-E108 PolarHBondContact ND1-OE1 2.84Å; H98-E108 IonicContact ND1-OE2 2.77Å; H98-E108 IonicContact NE2-OE2 3.14Å; H98-E108 PolarHBondContact NE2-OE2 3.07Å; H98-S118 CarbonylContact O-C 3.58Å; H98-S118 WeakPolarHBondContact O-CA 3.25Å; H98-S118 WeakPolarHBondContact O-CB 3.44Å; H98-S118 PolarHBondContact O-OG 3.07Å; H98-E119 PolarHBondContact N-O 2.92Å; H98-E119 PolarHBondContact O-N 2.99Å; H98-H121 AromaticContact CD2-CE1 3.51Å; H98-H121 AromaticContact CD2-ND1 3.6Å; H98-H121 AromaticContact NE2-CE1 3.73Å; H98-H121 AromaticContact NE2-ND1 3.58Å; H98-N246 PolarHBondContact ND1-O 3.41Å; H98-F247 HydrophobicContact CB-CB 4.17Å
99	W	98.9	Very high	98.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	159	-177.8	64.1	88.9	0	0	0	113.9	V68 F97 G106 P117 M225 F228 L231 M243 N245 N246	V68-W99 HydrophobicContact CG1-CH2 4.31Å; V68-W99 HydrophobicContact CG1-CZ3 4.32Å; F97-W99 HydrophobicContact CB-CE3 3.76Å; F97-W99 HydrophobicContact CB-CZ3 3.87Å; F97-W99 VanDerWaalsContact O-CZ3 3.25Å; F97-W99 WeakPolarHBondContact O-CZ3 3.34Å; W99-G106 PolarHBondContact N-O 2.96Å; W99-P117 WeakPolarHBondContact CA-O 3.34Å; W99-M225 HydrophobicContact CB-CE 3.74Å; W99-M225 HydrophobicContact CG-CE 4.3Å; W99-F228 HydrophobicContact CD2-CB 4.04Å; W99-F228 HydrophobicContact CD2-CD1 4.33Å; W99-F228 HydrophobicContact CE3-CD1 4.01Å; W99-F228 HydrophobicContact CG-CB 4.25Å; W99-F228 HydrophobicContact CH2-CD1 4.25Å; W99-F228 HydrophobicContact CZ2-CB 4.37Å; W99-F228 AromaticContact CZ3-CD1 3.98Å; W99-F228 HydrophobicContact CZ3-CD1 3.98Å; W99-L231 HydrophobicContact CH2-CD1 3.72Å; W99-L231 HydrophobicContact CZ2-CB 4.42Å; W99-L231 HydrophobicContact CZ2-CD1 3.83Å; W99-M243 HydrophobicContact CH2-CG 3.89Å; W99-M243 HydrophobicContact CH2-SD 3.36Å; W99-M243 WeakPolarHBondContact CH2-SD 3.47Å; W99-M243 HydrophobicContact CZ2-CB 4Å; W99-M243 HydrophobicContact CZ2-CG 3.42Å; W99-M243 VanDerWaalsContact CZ2-CG 3.42Å; W99-M243 HydrophobicContact CZ2-SD 3.51Å; W99-M243 VanDerWaalsContact CZ2-SD 3.51Å; W99-M243 HydrophobicContact CZ3-SD 4.5Å; W99-M243 PolarHBondContact NE1-O 3.44Å; W99-N245 WeakPolarHBondContact O-CA 3.46Å; W99-N245 PolarHBondContact O-N 2.95Å; W99-N246 WeakPolarHBondContact CZ3-ND2 3.43Å; W99-N246 PolarHBondContact N-OD1 2.88Å; W99-N246 PolarHBondContact O-N 3.19Å; W99-N246 PolarHBondContact O-OD1 2.89Å; W99-N246 VanDerWaalsContact O-OD1 3.08Å
100	G	98.6	Very high	98.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.154	C	C	.	.			trans	-99.2	163.7	179.8	0	0	0	0	0	113.4	K102 V105 P117 R229 N245	G100-K102 VanDerWaalsContact C-N 3.3Å; G100-V105 WeakPolarHBondContact CA-O 3.36Å; G100-P117 PolarHBondContact N-O 3.14Å; G100-R229 PolarHBondContact O-NE 3.17Å; G100-R229 VanDerWaalsContact O-NE 3.07Å; G100-N245 WeakPolarHBondContact CA-OD1 3.36Å
101	K	98.4	Very high	98.3	Very high	140 Å²	140	34 Å²	34	61%	0.609	16%	0.16	S	C	*	.	S	Bend	trans	-68.5	-31.2	168.8	-173.8	172.4	-179.7	174.6	0	112.2	R229 V244 N245	K101-R229 PolarHBondContact O-NE 3.01Å; K101-V244 HydrophobicContact CB-CB 3.95Å; K101-V244 HydrophobicContact CB-CG1 4.37Å; K101-V244 HydrophobicContact CB-CG2 4.01Å; K101-V244 HydrophobicContact CD-CG2 4.33Å; K101-V244 HydrophobicContact CG-CG2 4.3Å; K101-N245 PolarHBondContact N-OD1 2.79Å
102	K	96.4	Very high	98.3	Very high	136 Å²	136	36 Å²	36	59%	0.591	17%	0.174	S	C	*	.	S	Bend	trans	-119.9	170.9	-178.9	-66.1	-176.1	175.4	-177.5	0	110.3	G100 D104 V105	G100-K102 VanDerWaalsContact C-N 3.3Å; K102-D104 WeakPolarHBondContact CB-OD1 3.46Å; K102-V105 HydrophobicContact CB-CG2 4.48Å
103	H	93	Very high	98.2	Very high	123 Å²	123	38.5 Å²	38.5	57%	0.569	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-23.1	-176.5	73.8	-79.2	0	0	0	113.8	V105 P117	H103-V105 VanDerWaalsContact C-N 3.31Å; H103-P117 WeakPolarHBondContact O-CD 3.44Å; H103-P117 WeakPolarHBondContact O-CG 3.49Å
104	D	95.2	Very high	98.2	Very high	89 Å²	89	42 Å²	42	48%	0.476	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.9	-175.6	57.7	-41.5	0	0	0	113.6	K102	K102-D104 WeakPolarHBondContact CB-OD1 3.46Å
105	V	98.3	Very high	98.2	Very high	44 Å²	44	42.6 Å²	42.6	27%	0.267	22%	0.221	S	C	.	.			trans	-141.6	155.8	179.8	-66.8	0	0	0	0	110.4	G100 K102 H103 F116 F247	G100-V105 WeakPolarHBondContact CA-O 3.36Å; K102-V105 HydrophobicContact CB-CG2 4.48Å; H103-V105 VanDerWaalsContact C-N 3.31Å; V105-F116 CarbonylContact C-O 3.56Å; V105-F247 HydrophobicContact CB-CE1 4.28Å; V105-F247 HydrophobicContact CB-CZ 4.04Å; V105-F247 HydrophobicContact CG2-CE1 4.48Å
106	G	98.7	Very high	98.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.			trans	150.1	-37.8	168.4	0	0	0	0	0	115.2	H98 W99 F116 P117	H98-G106 CarbonylContact C-O 3.5Å; W99-G106 PolarHBondContact N-O 2.96Å; G106-F116 CarbonylContact C-O 3.04Å; G106-F116 WeakPolarHBondContact CA-O 3.33Å; G106-F116 PolarHBondContact N-O 2.89Å; G106-P117 WeakPolarHBondContact CA-O 3.5Å
107	S	98.9	Very high	98.2	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.014	23%	0.225	C	C	.	.			trans	-65.1	150.5	169.9	68	0	0	0	0	111.1	H109 S115 F116 E119	S107-H109 WeakPolarHBondContact CB-O 3.48Å; S107-H109 PolarHBondContact OG-O 2.76Å; S107-S115 WeakPolarHBondContact OG-CA 3.41Å; S107-F116 PolarHBondContact N-O 3.38Å; S107-F116 PolarHBondContact OG-N 3.28Å; S107-E119 WeakPolarHBondContact CB-OE2 3.16Å
108	E	98.9	Very high	98.2	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.225	C	C	.	.	S	Bend	trans	-83.7	-52.3	176.3	-61.6	-142	104.6	0	0	109.3	P32 H98 E119 H121 T201 F247 R248	P32-E108 HydrophobicContact CB-CB 3.76Å; P32-E108 WeakPolarHBondContact CB-O 2.87Å; P32-E108 VanDerWaalsContact CG-C 3.48Å; P32-E108 HydrophobicContact CG-CB 3.72Å; P32-E108 WeakPolarHBondContact CG-O 3.26Å; H98-E108 HydrophobicContact CB-CG 3.63Å; H98-E108 IonicContact CD2-OE2 2.67Å; H98-E108 IonicContact CE1-OE1 3.07Å; H98-E108 IonicContact CE1-OE2 3.97Å; H98-E108 VanDerWaalsContact CG-CG 3.48Å; H98-E108 IonicContact CG-OE2 3.84Å; H98-E108 IonicContact ND1-OE1 3.37Å; H98-E108 PolarHBondContact ND1-OE1 2.84Å; H98-E108 IonicContact ND1-OE2 2.77Å; H98-E108 IonicContact NE2-OE2 3.14Å; H98-E108 PolarHBondContact NE2-OE2 3.07Å; E108-E119 PolarHBondContact N-OE2 2.63Å; E108-H121 IonicContact OE2-CE1 2.66Å; E108-H121 PolarHBondContact OE2-CE1 2.83Å; E108-H121 IonicContact OE2-ND1 3.23Å; E108-T201 WeakPolarHBondContact OE2-CB 3.35Å; E108-T201 WeakPolarHBondContact OE2-CG2 3.22Å; E108-T201 PolarHBondContact OE2-OG1 3.16Å; E108-F247 HydrophobicContact CG-CB 3.87Å; E108-R248 WeakPolarHBondContact OE1-CB 3.48Å; E108-R248 PolarHBondContact OE1-N 2.82Å
109	H	98.9	Very high	98.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-71.1	151.1	169.3	-66.3	87.9	0	0	0	110.4	S107 E119 F149 Y196 W211	S107-H109 WeakPolarHBondContact CB-O 3.48Å; S107-H109 PolarHBondContact OG-O 2.76Å; H109-E119 IonicContact CE1-OE1 3.69Å; H109-E119 IonicContact CG-OE1 2.63Å; H109-E119 PolarHBondContact N-OE2 2.89Å; H109-E119 IonicContact ND1-OE1 2.67Å; H109-E119 PolarHBondContact ND1-OE1 3.28Å; H109-E119 IonicContact ND1-OE2 3.38Å; H109-F149 HydrophobicContact CB-CE1 3.79Å; H109-F149 HydrophobicContact CB-CZ 3.71Å; H109-Y196 AromaticContact NE2-CE1 3.5Å; H109-Y196 AromaticContact NE2-CZ 3.48Å; H109-Y196 PolarHBondContact NE2-OH 3.49Å; H109-W211 AromaticContact CE1-CD2 3.62Å; H109-W211 AromaticContact CE1-CE2 3.87Å; H109-W211 AromaticContact CE1-CE3 3.38Å; H109-W211 AromaticContact CE1-CH2 3.74Å; H109-W211 AromaticContact CE1-CZ2 3.94Å; H109-W211 AromaticContact CE1-CZ3 3.43Å; H109-W211 VanDerWaalsContact CE1-CZ3 3.43Å; H109-W211 WeakPolarHBondContact CE1-CZ3 3.11Å; H109-W211 AromaticContact NE2-CD2 3.94Å
110	T	98.9	Very high	98.2	Very high	9 Å²	9	43.1 Å²	43.1	6%	0.055	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.4	169.7	49.9	0	0	0	0	108.9	I33 N34 I35 K114 S115 P250	I33-T110 PolarHBondContact O-N 2.87Å; N34-T110 VanDerWaalsContact CA-OG1 3.31Å; N34-T110 WeakPolarHBondContact CA-OG1 3.49Å; N34-T110 WeakPolarHBondContact CB-OG1 3.11Å; N34-T110 PolarHBondContact OD1-OG1 2.82Å; I35-T110 PolarHBondContact N-O 2.97Å; T110-K114 VanDerWaalsContact CA-O 3.25Å; T110-K114 WeakPolarHBondContact CA-O 3.17Å; T110-K114 WeakPolarHBondContact CB-O 2.92Å; T110-S115 VanDerWaalsContact CG2-OG 3.23Å; T110-S115 WeakPolarHBondContact CG2-OG 3.19Å; T110-P250 HydrophobicContact CG2-CG 4.2Å
111	V	98.9	Very high	98.2	Very high	22 Å²	22	43.2 Å²	43.2	13%	0.133	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.2	174.3	-177.7	0	0	0	0	107.6	I35 G113 K114 F149 W194	I35-V111 WeakPolarHBondContact O-CA 3.36Å; V111-G113 PolarHBondContact O-N 3.25Å; V111-K114 PolarHBondContact N-O 3.2Å; V111-K114 WeakPolarHBondContact O-CB 3.39Å; V111-K114 PolarHBondContact O-N 2.97Å; V111-F149 HydrophobicContact CG2-CE2 3.69Å; V111-F149 HydrophobicContact CG2-CZ 3.88Å; V111-W194 HydrophobicContact CG1-CH2 3.92Å; V111-W194 HydrophobicContact CG1-CZ2 4.38Å; V111-W194 HydrophobicContact CG2-CH2 4.21Å; V111-W194 HydrophobicContact CG2-CZ3 4.05Å
112	D	98.7	Very high	98.3	Very high	87 Å²	87	36.5 Å²	36.5	47%	0.465	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	38.8	-176.1	-57.3	-46.4	0	0	0	112.6	N34 I35 I36 S37 K114	N34-D112 PolarHBondContact OD1-N 3.23Å; I35-D112 PolarHBondContact O-N 3.26Å; I36-D112 WeakPolarHBondContact CA-OD1 3.31Å; S37-D112 VanDerWaalsContact CB-OD2 3.3Å; S37-D112 WeakPolarHBondContact CB-OD2 3.31Å; S37-D112 PolarHBondContact N-OD1 2.98Å; S37-D112 VanDerWaalsContact OG-CG 3.32Å; S37-D112 PolarHBondContact OG-OD1 3.2Å; S37-D112 PolarHBondContact OG-OD2 3.37Å; D112-K114 VanDerWaalsContact C-N 3.26Å; D112-K114 PolarHBondContact O-N 2.98Å
113	G	98.6	Very high	98.4	Very high	54 Å²	54	30.2 Å²	30.2	56%	0.557	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.9	-1.9	-178.3	0	0	0	0	0	115.3	N34 V111	N34-G113 PolarHBondContact OD1-N 3.46Å; V111-G113 PolarHBondContact O-N 3.25Å
114	K	98.7	Very high	98.7	Very high	134 Å²	134	24.4 Å²	24.4	58%	0.583	14%	0.141	S	C	*	.	B	Isolated β-bridge	trans	-90.4	128.7	177.7	-173.6	-177.7	175.1	-170.4	0	111.3	T110 V111 D112	T110-K114 VanDerWaalsContact CA-O 3.25Å; T110-K114 WeakPolarHBondContact CA-O 3.17Å; T110-K114 WeakPolarHBondContact CB-O 2.92Å; V111-K114 PolarHBondContact N-O 3.2Å; V111-K114 WeakPolarHBondContact O-CB 3.39Å; V111-K114 PolarHBondContact O-N 2.97Å; D112-K114 VanDerWaalsContact C-N 3.26Å; D112-K114 PolarHBondContact O-N 2.98Å
115	S	98.8	Very high	98.8	Very high	31 Å²	31	20.9 Å²	20.9	22%	0.217	12%	0.121	C	C	.	.			trans	-88.4	161.8	167.8	-64.9	0	0	0	0	112.2	S107 T110	S107-S115 WeakPolarHBondContact OG-CA 3.41Å; T110-S115 VanDerWaalsContact CG2-OG 3.23Å; T110-S115 WeakPolarHBondContact CG2-OG 3.19Å
116	F	98.9	Very high	98.9	Very high	23 Å²	23	19.4 Å²	19.4	10%	0.101	11%	0.112	C	C	.	.			trans	-109.8	158.7	167.3	-69.7	-98.1	0	0	0	110.1	V105 G106 S107 S118 F149 E151 P217	V105-F116 CarbonylContact C-O 3.56Å; G106-F116 CarbonylContact C-O 3.04Å; G106-F116 WeakPolarHBondContact CA-O 3.33Å; G106-F116 PolarHBondContact N-O 2.89Å; S107-F116 PolarHBondContact N-O 3.38Å; S107-F116 PolarHBondContact OG-N 3.28Å; F116-S118 PolarHBondContact O-N 2.77Å; F116-F149 HydrophobicContact CB-CB 4.27Å; F116-F149 HydrophobicContact CB-CD1 4.18Å; F116-F149 HydrophobicContact CD1-CB 3.92Å; F116-F149 HydrophobicContact CD1-CG 4.5Å; F116-F149 HydrophobicContact CD2-CB 3.83Å; F116-F149 AromaticContact CD2-CD1 3.42Å; F116-F149 HydrophobicContact CD2-CD1 3.42Å; F116-F149 VanDerWaalsContact CD2-CD1 3.42Å; F116-F149 HydrophobicContact CD2-CD2 4.1Å; F116-F149 AromaticContact CD2-CE1 3.94Å; F116-F149 HydrophobicContact CD2-CE1 3.94Å; F116-F149 AromaticContact CD2-CG 3.51Å; F116-F149 HydrophobicContact CD2-CG 3.51Å; F116-F149 HydrophobicContact CD2-CZ 4.46Å; F116-F149 HydrophobicContact CE1-CB 4.18Å; F116-F149 HydrophobicContact CE2-CB 4.09Å; F116-F149 AromaticContact CE2-CD1 4Å; F116-F149 HydrophobicContact CE2-CD1 4Å; F116-F149 AromaticContact CE2-CD2 3.81Å; F116-F149 HydrophobicContact CE2-CD2 3.81Å; F116-F149 HydrophobicContact CE2-CE1 4.38Å; F116-F149 HydrophobicContact CE2-CE2 4.2Å; F116-F149 AromaticContact CE2-CG 3.69Å; F116-F149 HydrophobicContact CE2-CG 3.69Å; F116-F149 HydrophobicContact CE2-CZ 4.47Å; F116-F149 HydrophobicContact CG-CB 3.74Å; F116-F149 AromaticContact CG-CD1 3.95Å; F116-F149 HydrophobicContact CG-CD1 3.95Å; F116-F149 AromaticContact CG-CG 3.95Å; F116-F149 HydrophobicContact CG-CG 3.95Å; F116-F149 HydrophobicContact CZ-CB 4.25Å; F116-F149 HydrophobicContact CZ-CD2 4.31Å; F116-F149 HydrophobicContact CZ-CG 4.27Å; F116-E151 HydrophobicContact CD1-CB 4.11Å; F116-E151 HydrophobicContact CE1-CB 4.45Å; F116-P217 HydrophobicContact CD1-CB 4.38Å; F116-P217 HydrophobicContact CE1-CB 3.99Å; F116-P217 HydrophobicContact CE1-CG 4.09Å
117	P	98.8	Very high	98.8	Very high	10 Å²	10	20.3 Å²	20.3	7%	0.065	12%	0.12	C	C	.	.	S	Bend	trans	-56	-28.5	176.3	-25	27.2	0	0	0	115.1	W99 G100 H103 G106 L150 T152	W99-P117 WeakPolarHBondContact CA-O 3.34Å; G100-P117 PolarHBondContact N-O 3.14Å; H103-P117 WeakPolarHBondContact O-CD 3.44Å; H103-P117 WeakPolarHBondContact O-CG 3.49Å; G106-P117 WeakPolarHBondContact CA-O 3.5Å; P117-L150 VanDerWaalsContact CD-O 3.28Å; P117-L150 WeakPolarHBondContact CD-O 3.35Å; P117-T152 HydrophobicContact CB-CG2 4.31Å; P117-T152 HydrophobicContact CG-CG2 3.95Å
118	S	98.9	Very high	98.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	160.9	-179.9	172.5	0	0	0	0	111.8	H98 F116 L150	H98-S118 CarbonylContact O-C 3.58Å; H98-S118 WeakPolarHBondContact O-CA 3.25Å; H98-S118 WeakPolarHBondContact O-CB 3.44Å; H98-S118 PolarHBondContact O-OG 3.07Å; F116-S118 PolarHBondContact O-N 2.77Å; S118-L150 PolarHBondContact O-N 3.11Å
119	E	98.9	Very high	98.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	127.4	173.2	-168.8	178.7	142.5	0	0	110.2	F97 H98 S107 E108 H109 H121 V148 F149	F97-E119 CarbonylContact C-O 3.51Å; F97-E119 VanDerWaalsContact CA-O 3.31Å; F97-E119 WeakPolarHBondContact CA-O 3.19Å; H98-E119 PolarHBondContact N-O 2.92Å; H98-E119 PolarHBondContact O-N 2.99Å; S107-E119 WeakPolarHBondContact CB-OE2 3.16Å; E108-E119 PolarHBondContact N-OE2 2.63Å; H109-E119 IonicContact CE1-OE1 3.69Å; H109-E119 IonicContact CG-OE1 2.63Å; H109-E119 PolarHBondContact N-OE2 2.89Å; H109-E119 IonicContact ND1-OE1 2.67Å; H109-E119 PolarHBondContact ND1-OE1 3.28Å; H109-E119 IonicContact ND1-OE2 3.38Å; E119-H121 IonicContact OE1-CD2 3.63Å; E119-H121 PolarHBondContact OE1-CD2 3.02Å; E119-H121 IonicContact OE1-CE1 3.86Å; E119-H121 IonicContact OE1-NE2 3.56Å; E119-H121 PolarHBondContact OE1-NE2 3.39Å; E119-V148 WeakPolarHBondContact CA-O 3.49Å; E119-F149 HydrophobicContact CG-CD1 4.16Å; E119-F149 HydrophobicContact CG-CE1 4.34Å; E119-F149 WeakPolarHBondContact OE2-CE1 3.07Å
120	L	98.9	Very high	98.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	133	173.6	163.1	64.4	0	0	0	109.6	F95 H96 F97 L122 G147 V148 L150 L186	F95-L120 HydrophobicContact CB-CD1 3.77Å; F95-L120 HydrophobicContact CD2-CD1 3.56Å; F95-L120 HydrophobicContact CE2-CD1 4.46Å; F95-L120 HydrophobicContact CG-CD1 3.89Å; H96-L120 WeakPolarHBondContact O-CA 3.22Å; H96-L120 WeakPolarHBondContact O-CD1 3.16Å; F97-L120 HydrophobicContact CD1-CB 3.79Å; F97-L120 HydrophobicContact CD1-CD1 4.11Å; F97-L120 HydrophobicContact CE1-CB 3.74Å; F97-L120 HydrophobicContact CE1-CD1 3.73Å; F97-L120 HydrophobicContact CE1-CD2 4.35Å; F97-L120 HydrophobicContact CE1-CG 4.15Å; F97-L120 HydrophobicContact CE2-CD1 4.27Å; F97-L120 HydrophobicContact CZ-CD1 3.82Å; L120-L122 HydrophobicContact CD1-CG 4.48Å; L120-L122 HydrophobicContact CD2-CD1 4.06Å; L120-L122 HydrophobicContact CD2-CG 4.47Å; L120-L122 HydrophobicContact CG-CD1 4.1Å; L120-L122 HydrophobicContact CG-CG 4.36Å; L120-G147 CarbonylContact O-C 3.51Å; L120-G147 WeakPolarHBondContact O-CA 3.33Å; L120-V148 HydrophobicContact CB-CB 4.2Å; L120-V148 HydrophobicContact CD2-CB 4.32Å; L120-V148 HydrophobicContact CD2-CG2 4.36Å; L120-V148 PolarHBondContact N-O 3.36Å; L120-V148 PolarHBondContact O-N 2.92Å; L120-L150 HydrophobicContact CB-CD1 3.76Å; L120-L186 HydrophobicContact CD2-CB 3.74Å; L120-L186 HydrophobicContact CD2-CD1 4.03Å
121	H	98.9	Very high	98.7	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.7	172	-67.9	175.7	0	0	0	110.9	F95 H96 H98 E108 E119 V123 V145 W211	F95-H121 CarbonylContact C-O 3.4Å; F95-H121 WeakPolarHBondContact CA-O 3.34Å; F95-H121 VanDerWaalsContact CB-O 3.26Å; F95-H121 WeakPolarHBondContact CB-O 3.44Å; H96-H121 PolarHBondContact N-O 3.31Å; H96-H121 AromaticContact NE2-ND1 3.72Å; H96-H121 PolarHBondContact O-N 3.38Å; H98-H121 AromaticContact CD2-CE1 3.51Å; H98-H121 AromaticContact CD2-ND1 3.6Å; H98-H121 AromaticContact NE2-CE1 3.73Å; H98-H121 AromaticContact NE2-ND1 3.58Å; E108-H121 IonicContact OE2-CE1 2.66Å; E108-H121 PolarHBondContact OE2-CE1 2.83Å; E108-H121 IonicContact OE2-ND1 3.23Å; E119-H121 IonicContact OE1-CD2 3.63Å; E119-H121 PolarHBondContact OE1-CD2 3.02Å; E119-H121 IonicContact OE1-CE1 3.86Å; E119-H121 IonicContact OE1-NE2 3.56Å; E119-H121 PolarHBondContact OE1-NE2 3.39Å; H121-V123 HydrophobicContact CB-CG2 4.49Å; H121-V145 HydrophobicContact CB-CG1 3.88Å; H121-W211 AromaticContact CD2-CH2 3.78Å; H121-W211 AromaticContact CD2-CZ3 3.84Å; H121-W211 AromaticContact CE1-CH2 3.34Å; H121-W211 WeakPolarHBondContact CE1-CH2 3.5Å; H121-W211 AromaticContact CG-CH2 3.92Å; H121-W211 AromaticContact ND1-CH2 3.63Å; H121-W211 AromaticContact NE2-CH2 3.41Å; H121-W211 WeakPolarHBondContact NE2-CH2 3.47Å; H121-W211 AromaticContact NE2-CZ3 3.69Å
122	L	98.9	Very high	98.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	109.9	168	-55.9	109.6	0	0	0	109	Y53 L92 F95 L120 H124 V145 V146 V148 P183 L187	Y53-L122 HydrophobicContact CE2-CD2 4.03Å; L92-L122 HydrophobicContact CD1-CB 3.95Å; L92-L122 HydrophobicContact CD1-CD2 4.44Å; F95-L122 HydrophobicContact CB-CB 4.4Å; F95-L122 HydrophobicContact CB-CD2 4.3Å; F95-L122 HydrophobicContact CB-CG 4.05Å; L120-L122 HydrophobicContact CD1-CG 4.48Å; L120-L122 HydrophobicContact CD2-CD1 4.06Å; L120-L122 HydrophobicContact CD2-CG 4.47Å; L120-L122 HydrophobicContact CG-CD1 4.1Å; L120-L122 HydrophobicContact CG-CG 4.36Å; L122-H124 PolarHBondContact O-CE1 2.97Å; L122-H124 VanDerWaalsContact O-CE1 3.26Å; L122-H124 PolarHBondContact O-ND1 3.3Å; L122-V145 WeakPolarHBondContact O-CA 3.45Å; L122-V146 HydrophobicContact CB-CB 4.25Å; L122-V146 HydrophobicContact CD1-CB 4.07Å; L122-V146 HydrophobicContact CD1-CG1 4.1Å; L122-V146 PolarHBondContact N-O 3.3Å; L122-V146 PolarHBondContact O-N 2.7Å; L122-V148 HydrophobicContact CD1-CG2 3.97Å; L122-P183 HydrophobicContact CD2-CB 3.76Å; L122-L187 HydrophobicContact CD1-CD2 4.13Å
123	V	98.9	Very high	98.7	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.1	-172.1	-177.1	0	0	0	0	110.5	K93 Q94 H121 F133 V145	K93-V123 PolarHBondContact N-O 3.14Å; Q94-V123 HydrophobicContact CG-CB 4.29Å; Q94-V123 PolarHBondContact O-N 3.38Å; H121-V123 HydrophobicContact CB-CG2 4.49Å; V123-F133 HydrophobicContact CG1-CE2 4.06Å; V123-F133 HydrophobicContact CG1-CZ 4.25Å; V123-V145 HydrophobicContact CB-CG2 4.46Å; V123-V145 HydrophobicContact CG1-CG2 4.24Å; V123-V145 HydrophobicContact CG2-CG1 4.36Å; V123-V145 HydrophobicContact CG2-CG2 4.12Å
124	H	98.9	Very high	98.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	158.1	-179.9	-46.1	74	0	0	0	111.3	Y53 V81 R91 L92 L122 L143 A144	Y53-H124 AromaticContact CE1-NE2 3.52Å; Y53-H124 AromaticContact CZ-NE2 3.54Å; Y53-H124 PolarHBondContact OH-CE1 3.16Å; Y53-H124 PolarHBondContact OH-NE2 2.9Å; V81-H124 HydrophobicContact CG1-CB 3.84Å; V81-H124 VanDerWaalsContact CG1-CD2 3.5Å; V81-H124 WeakPolarHBondContact CG1-CD2 3.43Å; V81-H124 VanDerWaalsContact CG1-CG 3.45Å; R91-H124 CarbonylContact O-C 3.59Å; R91-H124 WeakPolarHBondContact O-CA 3.49Å; R91-H124 WeakPolarHBondContact O-CB 3.41Å; L92-H124 VanDerWaalsContact CA-CD2 3.46Å; L92-H124 WeakPolarHBondContact CA-CD2 3.36Å; L122-H124 PolarHBondContact O-CE1 2.97Å; L122-H124 VanDerWaalsContact O-CE1 3.26Å; L122-H124 PolarHBondContact O-ND1 3.3Å; H124-L143 WeakPolarHBondContact O-CA 3.39Å; H124-A144 WeakPolarHBondContact CA-O 3.17Å; H124-A144 HydrophobicContact CB-CB 4.43Å; H124-A144 WeakPolarHBondContact CB-O 3.39Å; H124-A144 PolarHBondContact N-O 2.69Å; H124-A144 PolarHBondContact ND1-O 3.28Å; H124-A144 PolarHBondContact O-N 3.08Å
125	W	98.9	Very high	98.7	Very high	15 Å²	15	38.6 Å²	38.6	6%	0.057	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.8	178.8	71.2	-73	0	0	0	113.3	D74 Y90 R91 A127 Y130 T132 F133 A136 G142 L143	D74-W125 PolarHBondContact OD2-NE1 3.01Å; Y90-W125 CarbonylContact C-O 3.43Å; Y90-W125 VanDerWaalsContact CA-O 3.28Å; Y90-W125 WeakPolarHBondContact CA-O 3.48Å; Y90-W125 VanDerWaalsContact CD1-C 3.48Å; R91-W125 PolarHBondContact N-O 2.9Å; R91-W125 PolarHBondContact O-N 3.1Å; W125-A127 VanDerWaalsContact C-N 3.29Å; W125-A127 HydrophobicContact CD2-CB 4.02Å; W125-A127 HydrophobicContact CE3-CB 3.93Å; W125-A127 HydrophobicContact CH2-CB 3.54Å; W125-A127 HydrophobicContact CZ2-CB 3.62Å; W125-A127 HydrophobicContact CZ3-CB 3.7Å; W125-A127 PolarHBondContact O-N 3.04Å; W125-Y130 WeakPolarHBondContact CZ3-O 3.28Å; W125-T132 WeakPolarHBondContact CZ3-O 3.48Å; W125-F133 HydrophobicContact CB-CD2 3.7Å; W125-F133 HydrophobicContact CB-CE2 4.15Å; W125-F133 AromaticContact CD1-CD2 3.87Å; W125-F133 HydrophobicContact CD2-CB 4.26Å; W125-F133 HydrophobicContact CD2-CD2 4.39Å; W125-F133 HydrophobicContact CG-CB 4.45Å; W125-F133 AromaticContact CG-CD2 3.71Å; W125-F133 HydrophobicContact CG-CD2 3.71Å; W125-A136 HydrophobicContact CB-CB 4.2Å; W125-A136 HydrophobicContact CE3-CB 3.91Å; W125-G142 CarbonylContact C-O 3.48Å; W125-G142 VanDerWaalsContact CA-O 3.32Å; W125-G142 WeakPolarHBondContact CA-O 3.37Å; W125-L143 HydrophobicContact CB-CD2 3.69Å
126	N	98.8	Very high	98.7	Very high	14 Å²	14	37.1 Å²	37.1	8%	0.075	20%	0.2	C	C	.	.			trans	-80.3	72.5	-176.9	-169	-14.7	0	0	0	111.5	Y90 K128 K129 Y130 G142	Y90-N126 HydrophobicContact CD1-CB 3.88Å; Y90-N126 HydrophobicContact CE1-CB 3.52Å; Y90-N126 HydrophobicContact CE2-CB 4.22Å; Y90-N126 HydrophobicContact CG-CB 4.39Å; Y90-N126 PolarHBondContact OH-ND2 3.3Å; N126-K128 PolarHBondContact O-N 3.21Å; N126-K129 PolarHBondContact O-N 3.18Å; N126-K129 WeakPolarHBondContact OD1-CB 3.41Å; N126-K129 PolarHBondContact OD1-N 2.99Å; N126-Y130 HydrophobicContact CB-CD2 3.96Å; N126-Y130 HydrophobicContact CB-CE2 4.26Å; N126-Y130 PolarHBondContact O-N 3.33Å; N126-G142 PolarHBondContact N-O 3.41Å
127	A	98.5	Very high	98.6	Very high	19 Å²	19	36.5 Å²	36.5	16%	0.157	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-10.6	178.7	0	0	0	0	0	114.1	R91 W125	R91-A127 VanDerWaalsContact CD-CB 3.5Å; R91-A127 HydrophobicContact CG-CB 3.93Å; W125-A127 VanDerWaalsContact C-N 3.29Å; W125-A127 HydrophobicContact CD2-CB 4.02Å; W125-A127 HydrophobicContact CE3-CB 3.93Å; W125-A127 HydrophobicContact CH2-CB 3.54Å; W125-A127 HydrophobicContact CZ2-CB 3.62Å; W125-A127 HydrophobicContact CZ3-CB 3.7Å; W125-A127 PolarHBondContact O-N 3.04Å
128	K	98	Very high	98.6	Very high	170 Å²	170	40.7 Å²	40.7	74%	0.739	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-33.5	173.7	-174.6	177.9	178.9	-177.6	0	111.7	N126	N126-K128 PolarHBondContact O-N 3.21Å
129	K	98.4	Very high	98.5	Very high	117 Å²	117	41.3 Å²	41.3	51%	0.509	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-37	-176.6	-175	177.1	175.4	-168.7	0	113	N126 D141	N126-K129 PolarHBondContact O-N 3.18Å; N126-K129 WeakPolarHBondContact OD1-CB 3.41Å; N126-K129 PolarHBondContact OD1-N 2.99Å; K129-D141 IonicContact NZ-OD1 2.92Å; K129-D141 PolarHBondContact NZ-OD1 2.92Å; K129-D141 IonicContact NZ-OD2 3.87Å; K129-D141 PolarHBondContact NZ-OD2 3.02Å
130	Y	98.6	Very high	98.5	Very high	28 Å²	28	45.3 Å²	45.3	11%	0.11	26%	0.259	C	S	.	.			trans	-110.7	146.5	-176.4	-57.7	-71.5	0	0	0	111	W125 N126 E135 A136 A139 D141	W125-Y130 WeakPolarHBondContact CZ3-O 3.28Å; N126-Y130 HydrophobicContact CB-CD2 3.96Å; N126-Y130 HydrophobicContact CB-CE2 4.26Å; N126-Y130 PolarHBondContact O-N 3.33Å; Y130-E135 HydrophobicContact CD1-CG 3.78Å; Y130-E135 HydrophobicContact CG-CG 4.42Å; Y130-A136 HydrophobicContact CD2-CB 3.73Å; Y130-A136 HydrophobicContact CG-CB 3.93Å; Y130-A139 HydrophobicContact CE1-CB 3.66Å; Y130-A139 HydrophobicContact CE2-CB 4.01Å; Y130-A139 WeakPolarHBondContact OH-CB 3.39Å; Y130-D141 PolarHBondContact OH-OD1 3.36Å
131	S	98.3	Very high	98.4	Very high	104 Å²	104	47.1 Å²	47.1	73%	0.727	27%	0.269	S	S	*	.	S	Bend	trans	-81	-25.5	-175.8	-57.7	0	0	0	0	112.4	E135	S131-E135 PolarHBondContact N-OE2 3.22Å
132	T	98.6	Very high	98.4	Very high	77 Å²	77	47 Å²	47	47%	0.472	27%	0.269	S	S	.	.	S	Bend	trans	-139.2	155.5	-179	69.9	0	0	0	0	112	W125 G134 E135 A136	W125-T132 WeakPolarHBondContact CZ3-O 3.48Å; T132-G134 PolarHBondContact O-N 3.02Å; T132-E135 PolarHBondContact O-N 3.13Å; T132-E135 WeakPolarHBondContact OG1-CB 3.37Å; T132-E135 PolarHBondContact OG1-N 3.49Å; T132-A136 PolarHBondContact O-N 2.82Å
133	F	98.4	Very high	98.4	Very high	61 Å²	61	47 Å²	47	27%	0.268	27%	0.269	S	S	.	.	H	α-helix	trans	-56.4	-38.7	172.6	178.6	-89.7	0	0	0	112.3	K93 V123 W125 A136 A137 L143	K93-F133 HydrophobicContact CB-CD2 4.22Å; K93-F133 HydrophobicContact CB-CE2 4.23Å; K93-F133 HydrophobicContact CG-CD2 4.07Å; K93-F133 HydrophobicContact CG-CE2 4.23Å; V123-F133 HydrophobicContact CG1-CE2 4.06Å; V123-F133 HydrophobicContact CG1-CZ 4.25Å; W125-F133 HydrophobicContact CB-CD2 3.7Å; W125-F133 HydrophobicContact CB-CE2 4.15Å; W125-F133 AromaticContact CD1-CD2 3.87Å; W125-F133 HydrophobicContact CD2-CB 4.26Å; W125-F133 HydrophobicContact CD2-CD2 4.39Å; W125-F133 HydrophobicContact CG-CB 4.45Å; W125-F133 AromaticContact CG-CD2 3.71Å; W125-F133 HydrophobicContact CG-CD2 3.71Å; F133-A136 PolarHBondContact O-N 3.04Å; F133-A137 HydrophobicContact CD1-CB 4.42Å; F133-A137 HydrophobicContact CE1-CB 4.1Å; F133-A137 VanDerWaalsContact O-CB 3.25Å; F133-A137 WeakPolarHBondContact O-CB 3.32Å; F133-A137 PolarHBondContact O-N 3.48Å; F133-L143 HydrophobicContact CD2-CD2 4.16Å; F133-L143 HydrophobicContact CE2-CD2 3.64Å; F133-L143 HydrophobicContact CZ-CD1 4.36Å; F133-L143 HydrophobicContact CZ-CD2 4.04Å
134	G	98.2	Very high	98.4	Very high	44 Å²	44	46.9 Å²	46.9	45%	0.454	27%	0.268	S	S	.	.	H	α-helix	trans	-67.5	-38.4	-179.2	0	0	0	0	0	113.2	T132 A137 S138	T132-G134 PolarHBondContact O-N 3.02Å; G134-A137 PolarHBondContact O-N 3.07Å; G134-S138 PolarHBondContact O-N 3.43Å; G134-S138 PolarHBondContact O-OG 3.12Å
135	E	98.6	Very high	98.4	Very high	91 Å²	91	47 Å²	47	43%	0.425	27%	0.269	S	S	.	.	H	α-helix	trans	-63.2	-48.2	172.3	-173.4	-173.2	-167.1	0	0	110.6	Y130 S131 T132 A137 S138	Y130-E135 HydrophobicContact CD1-CG 3.78Å; Y130-E135 HydrophobicContact CG-CG 4.42Å; S131-E135 PolarHBondContact N-OE2 3.22Å; T132-E135 PolarHBondContact O-N 3.13Å; T132-E135 WeakPolarHBondContact OG1-CB 3.37Å; T132-E135 PolarHBondContact OG1-N 3.49Å; E135-A137 PolarHBondContact O-N 3.36Å; E135-S138 WeakPolarHBondContact O-CB 3.46Å; E135-S138 PolarHBondContact O-N 2.82Å; E135-S138 VanDerWaalsContact O-N 3.11Å
136	A	98.6	Very high	98.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-45.3	176	0	0	0	0	0	112.1	W125 Y130 T132 F133 S138 A139 G142 L143	W125-A136 HydrophobicContact CB-CB 4.2Å; W125-A136 HydrophobicContact CE3-CB 3.91Å; Y130-A136 HydrophobicContact CD2-CB 3.73Å; Y130-A136 HydrophobicContact CG-CB 3.93Å; T132-A136 PolarHBondContact O-N 2.82Å; F133-A136 PolarHBondContact O-N 3.04Å; A136-S138 PolarHBondContact O-N 3.04Å; A136-A139 PolarHBondContact O-N 2.86Å; A136-G142 VanDerWaalsContact O-CA 3.25Å; A136-G142 WeakPolarHBondContact O-CA 3.5Å; A136-L143 HydrophobicContact CB-CD2 4.26Å
137	A	98.1	Very high	98.5	Very high	10 Å²	10	45.6 Å²	45.6	8%	0.083	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-13.1	178.3	0	0	0	0	0	113.8	F133 G134 E135 L143 S206 S208	F133-A137 HydrophobicContact CD1-CB 4.42Å; F133-A137 HydrophobicContact CE1-CB 4.1Å; F133-A137 VanDerWaalsContact O-CB 3.25Å; F133-A137 WeakPolarHBondContact O-CB 3.32Å; F133-A137 PolarHBondContact O-N 3.48Å; G134-A137 PolarHBondContact O-N 3.07Å; E135-A137 PolarHBondContact O-N 3.36Å; A137-L143 HydrophobicContact CB-CD1 3.96Å; A137-L143 HydrophobicContact CB-CD2 4.29Å; A137-L143 HydrophobicContact CB-CG 4.37Å; A137-S206 WeakPolarHBondContact O-CB 3.31Å; A137-S206 PolarHBondContact O-OG 3.21Å; A137-S208 WeakPolarHBondContact O-CB 3.47Å; A137-S208 PolarHBondContact O-OG 3.17Å
138	S	97.4	Very high	98.5	Very high	98 Å²	98	44.7 Å²	44.7	69%	0.685	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-4.8	176.5	-52.9	0	0	0	0	113.2	G134 E135 A136	G134-S138 PolarHBondContact O-N 3.43Å; G134-S138 PolarHBondContact O-OG 3.12Å; E135-S138 WeakPolarHBondContact O-CB 3.46Å; E135-S138 PolarHBondContact O-N 2.82Å; E135-S138 VanDerWaalsContact O-N 3.11Å; A136-S138 PolarHBondContact O-N 3.04Å
139	A	98.4	Very high	98.5	Very high	13 Å²	13	36.7 Å²	36.7	11%	0.107	22%	0.22	C	C	.	.	S	Bend	trans	-110.5	142.5	-175.8	0	0	0	0	0	112.7	Y130 A136 D141 G142 S208	Y130-A139 HydrophobicContact CE1-CB 3.66Å; Y130-A139 HydrophobicContact CE2-CB 4.01Å; Y130-A139 WeakPolarHBondContact OH-CB 3.39Å; A136-A139 PolarHBondContact O-N 2.86Å; A139-D141 PolarHBondContact O-N 3.2Å; A139-D141 VanDerWaalsContact O-N 3.07Å; A139-G142 PolarHBondContact O-N 3.39Å; A139-S208 WeakPolarHBondContact O-CA 3.48Å; A139-S208 WeakPolarHBondContact O-CB 3.34Å
140	P	97.8	Very high	98.5	Very high	84 Å²	84	31.1 Å²	31.1	55%	0.545	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.8	-174	-28.7	36.3	0	0	0	116.5	R29	R29-P140 PolarHBondContact NH2-O 2.8Å
141	D	98.1	Very high	98.5	Very high	39 Å²	39	33.6 Å²	33.6	21%	0.209	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	23.5	179	68.6	-50.1	0	0	0	112	Y90 K129 Y130 A139	Y90-D141 PolarHBondContact OH-O 2.89Å; K129-D141 IonicContact NZ-OD1 2.92Å; K129-D141 PolarHBondContact NZ-OD1 2.92Å; K129-D141 IonicContact NZ-OD2 3.87Å; K129-D141 PolarHBondContact NZ-OD2 3.02Å; Y130-D141 PolarHBondContact OH-OD1 3.36Å; A139-D141 PolarHBondContact O-N 3.2Å; A139-D141 VanDerWaalsContact O-N 3.07Å
142	G	98.8	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-85.9	-28.5	-176.8	0	0	0	0	0	114	W125 N126 A136 A139	W125-G142 CarbonylContact C-O 3.48Å; W125-G142 VanDerWaalsContact CA-O 3.32Å; W125-G142 WeakPolarHBondContact CA-O 3.37Å; N126-G142 PolarHBondContact N-O 3.41Å; A136-G142 VanDerWaalsContact O-CA 3.25Å; A136-G142 WeakPolarHBondContact O-CA 3.5Å; A139-G142 PolarHBondContact O-N 3.39Å
143	L	98.9	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148	-177.5	-53.1	-176.8	0	0	0	112.7	H124 W125 F133 A136 A137 L200 S208 V209 T210	H124-L143 WeakPolarHBondContact O-CA 3.39Å; W125-L143 HydrophobicContact CB-CD2 3.69Å; F133-L143 HydrophobicContact CD2-CD2 4.16Å; F133-L143 HydrophobicContact CE2-CD2 3.64Å; F133-L143 HydrophobicContact CZ-CD1 4.36Å; F133-L143 HydrophobicContact CZ-CD2 4.04Å; A136-L143 HydrophobicContact CB-CD2 4.26Å; A137-L143 HydrophobicContact CB-CD1 3.96Å; A137-L143 HydrophobicContact CB-CD2 4.29Å; A137-L143 HydrophobicContact CB-CG 4.37Å; L143-L200 HydrophobicContact CD1-CD1 4.46Å; L143-L200 HydrophobicContact CD1-CD2 3.78Å; L143-L200 HydrophobicContact CD1-CG 4.19Å; L143-S208 WeakPolarHBondContact CB-O 3.42Å; L143-S208 PolarHBondContact N-O 3.34Å; L143-V209 HydrophobicContact CB-CG2 4.01Å; L143-V209 HydrophobicContact CD1-CG2 4.01Å; L143-T210 PolarHBondContact O-N 3.31Å
144	A	98.9	Very high	98.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.8	167.7	0	0	0	0	0	109	V81 L86 Y90 H124 T210	V81-A144 HydrophobicContact CG1-CB 4.25Å; L86-A144 HydrophobicContact CD1-CB 4.02Å; L86-A144 HydrophobicContact CD2-CB 3.77Å; Y90-A144 HydrophobicContact CD1-CB 3.59Å; Y90-A144 HydrophobicContact CE1-CB 4Å; Y90-A144 HydrophobicContact CG-CB 3.9Å; H124-A144 WeakPolarHBondContact CA-O 3.17Å; H124-A144 HydrophobicContact CB-CB 4.43Å; H124-A144 WeakPolarHBondContact CB-O 3.39Å; H124-A144 PolarHBondContact N-O 2.69Å; H124-A144 PolarHBondContact ND1-O 3.28Å; H124-A144 PolarHBondContact O-N 3.08Å; A144-T210 WeakPolarHBondContact CA-O 3.5Å
145	V	98.9	Very high	98.5	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.5	179.1	-177.6	0	0	0	0	109.4	H121 L122 V123 V209 T210 W211 I212	H121-V145 HydrophobicContact CB-CG1 3.88Å; L122-V145 WeakPolarHBondContact O-CA 3.45Å; V123-V145 HydrophobicContact CB-CG2 4.46Å; V123-V145 HydrophobicContact CG1-CG2 4.24Å; V123-V145 HydrophobicContact CG2-CG1 4.36Å; V123-V145 HydrophobicContact CG2-CG2 4.12Å; V145-V209 HydrophobicContact CB-CG1 3.79Å; V145-V209 HydrophobicContact CG2-CG1 3.53Å; V145-V209 HydrophobicContact CG2-CG2 4.27Å; V145-T210 PolarHBondContact N-O 2.79Å; V145-W211 HydrophobicContact CB-CD2 4.39Å; V145-W211 HydrophobicContact CB-CE3 4.19Å; V145-W211 HydrophobicContact CB-CH2 4.03Å; V145-W211 HydrophobicContact CB-CZ2 4.26Å; V145-W211 HydrophobicContact CB-CZ3 4.02Å; V145-W211 HydrophobicContact CG1-CE3 4.12Å; V145-W211 HydrophobicContact CG1-CH2 3.45Å; V145-W211 VanDerWaalsContact CG1-CH2 3.45Å; V145-W211 HydrophobicContact CG1-CZ2 4.13Å; V145-W211 HydrophobicContact CG1-CZ3 3.47Å; V145-W211 VanDerWaalsContact CG1-CZ3 3.47Å; V145-I212 PolarHBondContact O-N 2.85Å
146	V	99	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	115	172.4	-178.5	0	0	0	0	108.1	L51 V81 L122 V148 I212 L214	L51-V146 HydrophobicContact CD2-CG2 3.85Å; V81-V146 HydrophobicContact CG2-CG2 4.16Å; L122-V146 HydrophobicContact CB-CB 4.25Å; L122-V146 HydrophobicContact CD1-CB 4.07Å; L122-V146 HydrophobicContact CD1-CG1 4.1Å; L122-V146 PolarHBondContact N-O 3.3Å; L122-V146 PolarHBondContact O-N 2.7Å; V146-V148 HydrophobicContact CG1-CG2 4.39Å; V146-I212 CarbonylContact C-O 3.55Å; V146-I212 VanDerWaalsContact CA-O 3.25Å; V146-I212 WeakPolarHBondContact CA-O 3.46Å; V146-I212 HydrophobicContact CG2-CB 4.31Å; V146-L214 HydrophobicContact CG1-CD1 4.34Å; V146-L214 HydrophobicContact CG1-CD2 4.29Å; V146-L214 HydrophobicContact CG1-CG 4.06Å
147	G	98.9	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.9	175.4	0	0	0	0	0	110.9	L120 I212 L214	L120-G147 CarbonylContact O-C 3.51Å; L120-G147 WeakPolarHBondContact O-CA 3.33Å; G147-I212 PolarHBondContact N-O 2.85Å; G147-L214 PolarHBondContact O-N 2.93Å
148	V	98.9	Very high	98.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.1	175.3	-172	0	0	0	0	108.4	E119 L120 L122 V146 L150 L187 L214 I218	E119-V148 WeakPolarHBondContact CA-O 3.49Å; L120-V148 HydrophobicContact CB-CB 4.2Å; L120-V148 HydrophobicContact CD2-CB 4.32Å; L120-V148 HydrophobicContact CD2-CG2 4.36Å; L120-V148 PolarHBondContact N-O 3.36Å; L120-V148 PolarHBondContact O-N 2.92Å; L122-V148 HydrophobicContact CD1-CG2 3.97Å; V146-V148 HydrophobicContact CG1-CG2 4.39Å; V148-L150 WeakPolarHBondContact O-CD1 3.47Å; V148-L187 HydrophobicContact CG2-CD2 4.11Å; V148-L214 HydrophobicContact CG2-CD1 3.88Å; V148-L214 HydrophobicContact CG2-CG 4.29Å; V148-I218 HydrophobicContact CG1-CG1 4.29Å; V148-I218 HydrophobicContact CG1-CG2 3.99Å
149	F	98.9	Very high	98.1	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	145.4	174.4	-65.6	-59.6	0	0	0	111	H109 V111 F116 E119 V213 P217 I218	H109-F149 HydrophobicContact CB-CE1 3.79Å; H109-F149 HydrophobicContact CB-CZ 3.71Å; V111-F149 HydrophobicContact CG2-CE2 3.69Å; V111-F149 HydrophobicContact CG2-CZ 3.88Å; F116-F149 HydrophobicContact CB-CB 4.27Å; F116-F149 HydrophobicContact CB-CD1 4.18Å; F116-F149 HydrophobicContact CD1-CB 3.92Å; F116-F149 HydrophobicContact CD1-CG 4.5Å; F116-F149 HydrophobicContact CD2-CB 3.83Å; F116-F149 AromaticContact CD2-CD1 3.42Å; F116-F149 HydrophobicContact CD2-CD1 3.42Å; F116-F149 VanDerWaalsContact CD2-CD1 3.42Å; F116-F149 HydrophobicContact CD2-CD2 4.1Å; F116-F149 AromaticContact CD2-CE1 3.94Å; F116-F149 HydrophobicContact CD2-CE1 3.94Å; F116-F149 AromaticContact CD2-CG 3.51Å; F116-F149 HydrophobicContact CD2-CG 3.51Å; F116-F149 HydrophobicContact CD2-CZ 4.46Å; F116-F149 HydrophobicContact CE1-CB 4.18Å; F116-F149 HydrophobicContact CE2-CB 4.09Å; F116-F149 AromaticContact CE2-CD1 4Å; F116-F149 HydrophobicContact CE2-CD1 4Å; F116-F149 AromaticContact CE2-CD2 3.81Å; F116-F149 HydrophobicContact CE2-CD2 3.81Å; F116-F149 HydrophobicContact CE2-CE1 4.38Å; F116-F149 HydrophobicContact CE2-CE2 4.2Å; F116-F149 AromaticContact CE2-CG 3.69Å; F116-F149 HydrophobicContact CE2-CG 3.69Å; F116-F149 HydrophobicContact CE2-CZ 4.47Å; F116-F149 HydrophobicContact CG-CB 3.74Å; F116-F149 AromaticContact CG-CD1 3.95Å; F116-F149 HydrophobicContact CG-CD1 3.95Å; F116-F149 AromaticContact CG-CG 3.95Å; F116-F149 HydrophobicContact CG-CG 3.95Å; F116-F149 HydrophobicContact CZ-CB 4.25Å; F116-F149 HydrophobicContact CZ-CD2 4.31Å; F116-F149 HydrophobicContact CZ-CG 4.27Å; E119-F149 HydrophobicContact CG-CD1 4.16Å; E119-F149 HydrophobicContact CG-CE1 4.34Å; E119-F149 WeakPolarHBondContact OE2-CE1 3.07Å; F149-V213 HydrophobicContact CD2-CG1 4.37Å; F149-V213 HydrophobicContact CE2-CG1 3.53Å; F149-V213 HydrophobicContact CZ-CG1 3.67Å; F149-P217 HydrophobicContact CB-CB 3.86Å; F149-P217 CarbonylContact O-C 3.49Å; F149-P217 WeakPolarHBondContact O-CA 3.34Å; F149-P217 WeakPolarHBondContact O-CB 3.11Å; F149-I218 PolarHBondContact O-N 2.97Å
150	L	98.9	Very high	98.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	123.7	173.2	-73.9	76.7	0	0	0	109	F97 P117 S118 L120 V148 M159 I218 I220	F97-L150 HydrophobicContact CD1-CD1 4.4Å; F97-L150 HydrophobicContact CD1-CD2 4.25Å; F97-L150 HydrophobicContact CE1-CD2 4.13Å; P117-L150 VanDerWaalsContact CD-O 3.28Å; P117-L150 WeakPolarHBondContact CD-O 3.35Å; S118-L150 PolarHBondContact O-N 3.11Å; L120-L150 HydrophobicContact CB-CD1 3.76Å; V148-L150 WeakPolarHBondContact O-CD1 3.47Å; L150-M159 HydrophobicContact CD2-CE 4.05Å; L150-I218 WeakPolarHBondContact CA-O 3.37Å; L150-I218 HydrophobicContact CD1-CD1 4.43Å; L150-I218 HydrophobicContact CD1-CG1 4.35Å; L150-I218 HydrophobicContact CD2-CD1 4.39Å; L150-I218 HydrophobicContact CG-CD1 4.01Å; L150-I218 HydrophobicContact CG-CG1 3.77Å; L150-I220 HydrophobicContact CD2-CD1 3.67Å; L150-I220 HydrophobicContact CD2-CG1 4.29Å; L150-I220 HydrophobicContact CD2-CG2 4.18Å
151	E	98.5	Very high	98.1	Very high	81 Å²	81	37.1 Å²	37.1	38%	0.379	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	159.8	170.6	66.4	-177.3	-165.8	0	0	111.8	F116 P217 I218 C219 I220	F116-E151 HydrophobicContact CD1-CB 4.11Å; F116-E151 HydrophobicContact CE1-CB 4.45Å; E151-P217 HydrophobicContact CB-CB 4.48Å; E151-P217 HydrophobicContact CG-CB 4.11Å; E151-P217 HydrophobicContact CG-CG 4Å; E151-P217 WeakPolarHBondContact OE2-CG 3.31Å; E151-I218 PolarHBondContact N-O 3.07Å; E151-C219 HydrophobicContact CG-CB 4.41Å; E151-C219 WeakPolarHBondContact O-CA 3.09Å; E151-I220 PolarHBondContact O-N 2.72Å
152	T	98.3	Very high	98.1	Very high	56 Å²	56	35.2 Å²	35.2	34%	0.344	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.1	179.9	50.9	0	0	0	0	111.2	P117 I220 E222 M225	P117-T152 HydrophobicContact CB-CG2 4.31Å; P117-T152 HydrophobicContact CG-CG2 3.95Å; T152-I220 CarbonylContact C-O 3.49Å; T152-I220 VanDerWaalsContact CA-O 3.24Å; T152-I220 WeakPolarHBondContact CA-O 3.4Å; T152-E222 WeakPolarHBondContact CG2-OE2 3.33Å; T152-M225 HydrophobicContact CG2-CG 3.96Å
153	G	97.9	Very high	98.1	Very high	45 Å²	45	35.3 Å²	35.3	46%	0.464	20%	0.196	S	C	.	.	S	Bend	trans	-173.6	-122.2	175.3	0	0	0	0	0	110.5	C219 I220 S221	G153-C219 WeakPolarHBondContact CA-SG 3.29Å; G153-C219 PolarHBondContact N-SG 2.86Å; G153-C219 VanDerWaalsContact N-SG 3.35Å; G153-I220 PolarHBondContact N-O 3.22Å; G153-S221 WeakPolarHBondContact O-CA 3.49Å
154	D	98	Very high	98	Very high	138 Å²	138	40 Å²	40	74%	0.738	22%	0.221	S	C	*	.	S	Bend	trans	-60.5	150.3	175.6	-68.5	-31.1	0	0	0	112.6	C219 I220 S221	D154-C219 PolarHBondContact N-SG 3.14Å; D154-I220 CarbonylContact O-C 3.56Å; D154-I220 WeakPolarHBondContact O-CA 3.37Å; D154-S221 PolarHBondContact O-N 3.43Å
155	E	98.3	Very high	98	Very high	90 Å²	90	41 Å²	41	42%	0.421	23%	0.23	S	C	.	.			trans	-66.4	132.7	175	-176	174.3	96.3	0	0	111.4	P157 N160 R223	E155-P157 WeakPolarHBondContact O-CD 3.13Å; E155-N160 PolarHBondContact OE1-ND2 3.39Å; E155-R223 IonicContact OE2-CZ 3.49Å; E155-R223 IonicContact OE2-NE 2.74Å; E155-R223 PolarHBondContact OE2-NE 3.03Å; E155-R223 IonicContact OE2-NH2 3.68Å; E155-R223 PolarHBondContact OE2-NH2 2.91Å
156	H	98.5	Very high	98	Very high	28 Å²	28	40.9 Å²	40.9	13%	0.13	23%	0.229	C	C	.	.			trans	-89	113.4	176.7	-167.1	-62.5	0	0	0	111	S158 M159 C185 C219 I220 Q224	H156-S158 PolarHBondContact ND1-N 3.49Å; H156-S158 PolarHBondContact O-N 3.49Å; H156-M159 HydrophobicContact CB-CB 3.74Å; H156-M159 PolarHBondContact ND1-N 2.81Å; H156-M159 WeakPolarHBondContact O-CB 3.49Å; H156-M159 PolarHBondContact O-N 2.85Å; H156-C185 PolarHBondContact CE1-O 3.2Å; H156-C185 PolarHBondContact NE2-O 3.46Å; H156-C219 WeakPolarHBondContact CB-O 3.35Å; H156-C219 PolarHBondContact CD2-O 2.99Å; H156-I220 HydrophobicContact CB-CB 4.35Å; H156-I220 HydrophobicContact CB-CG2 3.72Å; H156-Q224 PolarHBondContact O-NE2 3.24Å
157	P	97	Very high	97.9	Very high	102 Å²	102	48.1 Å²	48.1	66%	0.662	26%	0.257	S	S	*	.	H	α-helix	trans	-58.5	-45.4	-171.2	-27.1	36	0	0	0	113.3	E155 M159 N160	E155-P157 WeakPolarHBondContact O-CD 3.13Å; P157-M159 VanDerWaalsContact C-N 3.28Å; P157-M159 PolarHBondContact O-N 2.77Å; P157-N160 WeakPolarHBondContact O-CB 3.34Å; P157-N160 PolarHBondContact O-N 2.85Å
158	S	92.5	Very high	97.8	Very high	50 Å²	50	54.1 Å²	54.1	35%	0.35	29%	0.287	S	S	.	.	H	α-helix	trans	-73.5	-17.7	-178.7	-48.2	0	0	0	0	114.2	H156 N160 C185	H156-S158 PolarHBondContact ND1-N 3.49Å; H156-S158 PolarHBondContact O-N 3.49Å; S158-N160 VanDerWaalsContact C-N 3.31Å; S158-C185 WeakPolarHBondContact CB-SG 3.41Å
159	M	97.4	Very high	97.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-75.9	-24.1	176.9	-173.6	62.3	79	0	0	111.2	F97 L150 H156 P157 R161 L162 T163 L186 I218 I220 F228	F97-M159 HydrophobicContact CE1-CE 4.02Å; F97-M159 HydrophobicContact CZ-CE 4.15Å; F97-M159 HydrophobicContact CZ-SD 4.48Å; L150-M159 HydrophobicContact CD2-CE 4.05Å; H156-M159 HydrophobicContact CB-CB 3.74Å; H156-M159 PolarHBondContact ND1-N 2.81Å; H156-M159 WeakPolarHBondContact O-CB 3.49Å; H156-M159 PolarHBondContact O-N 2.85Å; P157-M159 VanDerWaalsContact C-N 3.28Å; P157-M159 PolarHBondContact O-N 2.77Å; M159-R161 VanDerWaalsContact C-N 3.31Å; M159-R161 PolarHBondContact O-N 3.04Å; M159-L162 WeakPolarHBondContact O-CB 3.19Å; M159-L162 PolarHBondContact O-N 3.36Å; M159-L162 HydrophobicContact SD-CB 4.07Å; M159-L162 HydrophobicContact SD-CD1 4.26Å; M159-L162 HydrophobicContact SD-CD2 3.98Å; M159-L162 HydrophobicContact SD-CG 4.33Å; M159-T163 HydrophobicContact CG-CG2 3.88Å; M159-T163 PolarHBondContact O-N 3.23Å; M159-T163 PolarHBondContact O-OG1 3.07Å; M159-T163 VanDerWaalsContact O-OG1 3.14Å; M159-T163 HydrophobicContact SD-CG2 4.41Å; M159-L186 HydrophobicContact CE-CD1 4.43Å; M159-L186 HydrophobicContact CE-CD2 3.65Å; M159-L186 HydrophobicContact SD-CD2 4.32Å; M159-I218 HydrophobicContact CE-CD1 4.4Å; M159-I220 HydrophobicContact CB-CG2 4.45Å; M159-I220 HydrophobicContact CE-CG2 4.11Å; M159-I220 HydrophobicContact CG-CG2 4.23Å; M159-F228 HydrophobicContact SD-CE2 4.25Å; M159-F228 HydrophobicContact SD-CZ 4.14Å
160	N	97.5	Very high	97.8	Very high	33 Å²	33	57.1 Å²	57.1	18%	0.176	30%	0.298	C	S	.	.	H	α-helix	trans	-52.9	-48.4	179.6	-78.4	-30.9	0	0	0	111.9	E155 P157 S158 L162 T163 D164 R223 Q224	E155-N160 PolarHBondContact OE1-ND2 3.39Å; P157-N160 WeakPolarHBondContact O-CB 3.34Å; P157-N160 PolarHBondContact O-N 2.85Å; S158-N160 VanDerWaalsContact C-N 3.31Å; N160-L162 VanDerWaalsContact C-N 3.26Å; N160-L162 PolarHBondContact O-N 3.32Å; N160-T163 WeakPolarHBondContact CA-OG1 3.21Å; N160-T163 PolarHBondContact O-N 2.97Å; N160-T163 VanDerWaalsContact O-N 3.13Å; N160-T163 PolarHBondContact O-OG1 3.02Å; N160-D164 WeakPolarHBondContact O-CB 3.42Å; N160-D164 PolarHBondContact O-N 2.97Å; N160-R223 PolarHBondContact OD1-NH2 3.37Å; N160-Q224 PolarHBondContact OD1-NE2 2.67Å
161	R	97.2	Very high	97.8	Very high	113 Å²	113	57.5 Å²	57.5	43%	0.426	30%	0.3	S	S	.	.	H	α-helix	trans	-57.7	-38.6	178.7	-173.6	177.2	-179.5	-157.6	-2.9	112.9	M159 A165 F178 S179 C180	M159-R161 VanDerWaalsContact C-N 3.31Å; M159-R161 PolarHBondContact O-N 3.04Å; R161-A165 PolarHBondContact O-N 2.96Å; R161-F178 HydrophobicContact CG-CE2 4.12Å; R161-F178 HydrophobicContact CG-CZ 4.32Å; R161-S179 PolarHBondContact NH1-O 3.39Å; R161-S179 PolarHBondContact NH2-O 3.05Å; R161-C180 PolarHBondContact NH1-O 3.02Å
162	L	98.4	Very high	97.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-70	-49.9	176.2	-175.2	152.3	0	0	0	110.3	I61 F95 F97 M159 N160 D164 A165 L166 F178 F181 F228	I61-L162 HydrophobicContact CD1-CG 4.34Å; F95-L162 HydrophobicContact CE2-CD1 3.71Å; F95-L162 HydrophobicContact CZ-CD1 3.92Å; F97-L162 HydrophobicContact CE2-CD1 3.77Å; F97-L162 HydrophobicContact CE2-CD2 4.37Å; F97-L162 HydrophobicContact CZ-CD1 3.88Å; M159-L162 WeakPolarHBondContact O-CB 3.19Å; M159-L162 PolarHBondContact O-N 3.36Å; M159-L162 HydrophobicContact SD-CB 4.07Å; M159-L162 HydrophobicContact SD-CD1 4.26Å; M159-L162 HydrophobicContact SD-CD2 3.98Å; M159-L162 HydrophobicContact SD-CG 4.33Å; N160-L162 VanDerWaalsContact C-N 3.26Å; N160-L162 PolarHBondContact O-N 3.32Å; L162-D164 VanDerWaalsContact C-N 3.29Å; L162-D164 PolarHBondContact O-N 2.85Å; L162-A165 WeakPolarHBondContact O-CB 3.46Å; L162-A165 PolarHBondContact O-N 3.38Å; L162-A165 VanDerWaalsContact O-N 3.12Å; L162-L166 HydrophobicContact CD2-CD1 4.4Å; L162-L166 HydrophobicContact CD2-CD2 4.02Å; L162-L166 HydrophobicContact CD2-CG 4.33Å; L162-L166 WeakPolarHBondContact O-CG 3.04Å; L162-L166 PolarHBondContact O-N 3.15Å; L162-F178 HydrophobicContact CB-CZ 4.15Å; L162-F181 HydrophobicContact CB-CE2 4.48Å; L162-F228 HydrophobicContact CD2-CE1 4Å; L162-F228 HydrophobicContact CD2-CE2 4.39Å; L162-F228 HydrophobicContact CD2-CZ 3.57Å
163	T	98.3	Very high	97.8	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-65.9	-29.1	-177.1	52	0	0	0	0	113.7	M159 N160 L166 Q224 K227 F228	M159-T163 HydrophobicContact CG-CG2 3.88Å; M159-T163 PolarHBondContact O-N 3.23Å; M159-T163 PolarHBondContact O-OG1 3.07Å; M159-T163 VanDerWaalsContact O-OG1 3.14Å; M159-T163 HydrophobicContact SD-CG2 4.41Å; N160-T163 WeakPolarHBondContact CA-OG1 3.21Å; N160-T163 PolarHBondContact O-N 2.97Å; N160-T163 VanDerWaalsContact O-N 3.13Å; N160-T163 PolarHBondContact O-OG1 3.02Å; T163-L166 HydrophobicContact CG2-CD1 4.31Å; T163-L166 WeakPolarHBondContact O-CB 3.38Å; T163-L166 PolarHBondContact O-N 3.49Å; T163-Q224 HydrophobicContact CG2-CB 4.04Å; T163-Q224 HydrophobicContact CG2-CG 4.24Å; T163-K227 HydrophobicContact CG2-CB 4.21Å; T163-F228 HydrophobicContact CG2-CD2 4.35Å; T163-F228 HydrophobicContact CG2-CE2 3.86Å
164	D	98.1	Very high	97.8	Very high	98 Å²	98	58 Å²	58	52%	0.524	31%	0.305	S	S	.	.	H	α-helix	trans	-71.5	-33.5	175	-68.8	-21.1	0	0	0	111.4	N160 L162 L166	N160-D164 WeakPolarHBondContact O-CB 3.42Å; N160-D164 PolarHBondContact O-N 2.97Å; L162-D164 VanDerWaalsContact C-N 3.29Å; L162-D164 PolarHBondContact O-N 2.85Å; D164-L166 VanDerWaalsContact C-N 3.28Å; D164-L166 PolarHBondContact O-N 2.83Å
165	A	98.2	Very high	97.9	Very high	21 Å²	21	57.6 Å²	57.6	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-71.5	-20	176.1	0	0	0	0	0	113.3	I61 R161 L162 Y167 M168 F178	I61-A165 HydrophobicContact CD1-CB 4.12Å; I61-A165 HydrophobicContact CG2-CB 4.31Å; R161-A165 PolarHBondContact O-N 2.96Å; L162-A165 WeakPolarHBondContact O-CB 3.46Å; L162-A165 PolarHBondContact O-N 3.38Å; L162-A165 VanDerWaalsContact O-N 3.12Å; A165-Y167 PolarHBondContact O-N 3.2Å; A165-M168 WeakPolarHBondContact O-CB 3.32Å; A165-M168 PolarHBondContact O-N 2.85Å; A165-F178 HydrophobicContact CB-CD2 4.25Å; A165-F178 HydrophobicContact CB-CE2 4.04Å
166	L	98.6	Very high	97.9	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.2	-175.6	-63.8	-175.1	0	0	0	113.6	I61 V68 L162 T163 D164 M168 V169 R170 K227 F228 L231	I61-L166 HydrophobicContact CD1-CD2 4Å; V68-L166 HydrophobicContact CB-CD2 4.13Å; V68-L166 HydrophobicContact CG1-CD2 4Å; V68-L166 HydrophobicContact CG2-CD2 3.7Å; L162-L166 HydrophobicContact CD2-CD1 4.4Å; L162-L166 HydrophobicContact CD2-CD2 4.02Å; L162-L166 HydrophobicContact CD2-CG 4.33Å; L162-L166 WeakPolarHBondContact O-CG 3.04Å; L162-L166 PolarHBondContact O-N 3.15Å; T163-L166 HydrophobicContact CG2-CD1 4.31Å; T163-L166 WeakPolarHBondContact O-CB 3.38Å; T163-L166 PolarHBondContact O-N 3.49Å; D164-L166 VanDerWaalsContact C-N 3.28Å; D164-L166 PolarHBondContact O-N 2.83Å; L166-M168 VanDerWaalsContact C-N 3.29Å; L166-M168 PolarHBondContact O-N 2.96Å; L166-V169 HydrophobicContact CD2-CG2 4.43Å; L166-V169 CarbonylContact O-C 3.57Å; L166-V169 PolarHBondContact O-N 3.2Å; L166-R170 PolarHBondContact O-N 2.97Å; L166-R170 VanDerWaalsContact O-N 3.08Å; L166-K227 HydrophobicContact CD1-CB 3.99Å; L166-F228 HydrophobicContact CD1-CD1 4.09Å; L166-F228 HydrophobicContact CD1-CD2 4.34Å; L166-F228 HydrophobicContact CD1-CE1 4.31Å; L166-F228 HydrophobicContact CD1-CG 4.11Å; L166-L231 HydrophobicContact CB-CD2 4.02Å; L166-L231 HydrophobicContact CD2-CD1 4.23Å; L166-L231 HydrophobicContact CD2-CD2 4.4Å; L166-L231 WeakPolarHBondContact O-CD2 3.42Å
167	Y	97.6	Very high	97.9	Very high	152 Å²	152	61.2 Å²	61.2	60%	0.596	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-35.7	177.2	-179.4	-99.3	0	0	0	112.6	A165 V169 R170	A165-Y167 PolarHBondContact O-N 3.2Å; Y167-V169 PolarHBondContact O-N 2.92Å; Y167-R170 WeakPolarHBondContact O-CG 3.5Å; Y167-R170 PolarHBondContact O-N 3.31Å; Y167-R170 PolarHBondContact O-NH1 2.66Å
168	M	97.8	Very high	97.9	Very high	125 Å²	125	56.8 Å²	56.8	62%	0.616	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-25.1	178.5	-63.4	-57.1	-63.6	0	0	112.2	A165 L166 A176	A165-M168 WeakPolarHBondContact O-CB 3.32Å; A165-M168 PolarHBondContact O-N 2.85Å; L166-M168 VanDerWaalsContact C-N 3.29Å; L166-M168 PolarHBondContact O-N 2.96Å; M168-A176 HydrophobicContact CB-CB 4.39Å
169	V	98.6	Very high	98.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	28	178.7	-62.3	0	0	0	0	112.8	I61 N63 V68 L166 Y167 F171 T174 A176	I61-V169 HydrophobicContact CD1-CG2 4.38Å; I61-V169 HydrophobicContact CG1-CG2 4.28Å; I61-V169 HydrophobicContact CG2-CG1 4.13Å; N63-V169 HydrophobicContact CB-CB 4.18Å; N63-V169 WeakPolarHBondContact CB-O 3.27Å; N63-V169 PolarHBondContact ND2-O 2.79Å; N63-V169 VanDerWaalsContact ND2-O 3.11Å; V68-V169 HydrophobicContact CG2-CG2 4.22Å; L166-V169 HydrophobicContact CD2-CG2 4.43Å; L166-V169 CarbonylContact O-C 3.57Å; L166-V169 PolarHBondContact O-N 3.2Å; Y167-V169 PolarHBondContact O-N 2.92Å; V169-F171 VanDerWaalsContact C-N 3.27Å; V169-F171 PolarHBondContact O-N 2.87Å; V169-T174 VanDerWaalsContact C-OG1 3.28Å; V169-T174 WeakPolarHBondContact CA-OG1 3.25Å; V169-A176 HydrophobicContact CG1-CB 4.06Å
170	R	98.6	Very high	98.1	Very high	64 Å²	64	59.8 Å²	59.8	24%	0.242	31%	0.308	C	S	.	.			trans	-64.2	-30	-173.6	67.9	-173.6	176.9	-82.6	-3	113.9	N63 L166 Y167 L232 E236	N63-R170 PolarHBondContact ND2-O 2.91Å; L166-R170 PolarHBondContact O-N 2.97Å; L166-R170 VanDerWaalsContact O-N 3.08Å; Y167-R170 WeakPolarHBondContact O-CG 3.5Å; Y167-R170 PolarHBondContact O-N 3.31Å; Y167-R170 PolarHBondContact O-NH1 2.66Å; R170-L232 WeakPolarHBondContact O-CB 3.19Å; R170-L232 PolarHBondContact O-N 3.41Å; R170-E236 IonicContact NH2-OE1 3.97Å
171	F	98.8	Very high	98.1	Very high	9 Å²	9	58.5 Å²	58.5	4%	0.039	30%	0.301	C	S	.	.	S	Bend	trans	-97.1	147.9	-178.5	-63	-66.9	0	0	0	112.2	N63 V169 G173 T174 L232 E236	N63-F171 WeakPolarHBondContact CB-O 3.46Å; N63-F171 PolarHBondContact ND2-O 2.89Å; V169-F171 VanDerWaalsContact C-N 3.27Å; V169-F171 PolarHBondContact O-N 2.87Å; F171-G173 PolarHBondContact O-N 3.23Å; F171-T174 HydrophobicContact CB-CG2 3.93Å; F171-T174 WeakPolarHBondContact O-CB 3.5Å; F171-T174 PolarHBondContact O-N 2.91Å; F171-T174 PolarHBondContact O-OG1 2.83Å; F171-L232 HydrophobicContact CD1-CD1 3.45Å; F171-L232 VanDerWaalsContact CD1-CD1 3.45Å; F171-L232 HydrophobicContact CE1-CD1 3.36Å; F171-L232 HydrophobicContact CZ-CD1 4.42Å; F171-E236 HydrophobicContact CD1-CB 4.25Å; F171-E236 HydrophobicContact CD2-CB 3.84Å; F171-E236 HydrophobicContact CD2-CG 4.03Å; F171-E236 HydrophobicContact CE1-CB 4.39Å; F171-E236 HydrophobicContact CE1-CG 4.48Å; F171-E236 HydrophobicContact CE2-CB 3.95Å; F171-E236 HydrophobicContact CE2-CG 3.64Å; F171-E236 WeakPolarHBondContact CE2-OE1 3.45Å; F171-E236 HydrophobicContact CG-CB 3.99Å; F171-E236 HydrophobicContact CZ-CB 4.24Å; F171-E236 HydrophobicContact CZ-CG 3.91Å
172	K	98.6	Very high	98.1	Very high	88 Å²	88	55.3 Å²	55.3	38%	0.383	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	137.1	172.5	171.8	175.5	178	173.8	0	111.4	T174 F233 T234	K172-T174 VanDerWaalsContact C-N 3.28Å; K172-T174 PolarHBondContact O-N 2.86Å; K172-F233 WeakPolarHBondContact CB-O 3.07Å; K172-F233 WeakPolarHBondContact CD-O 3.09Å; K172-T234 PolarHBondContact N-O 3.07Å
173	G	98.2	Very high	98.1	Very high	64 Å²	64	55.3 Å²	55.3	66%	0.66	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	-5.8	178	0	0	0	0	0	114.3	N63 F171	N63-G173 WeakPolarHBondContact O-CA 3.46Å; N63-G173 PolarHBondContact O-N 3.18Å; F171-G173 PolarHBondContact O-N 3.23Å
174	T	98.7	Very high	98.1	Very high	41 Å²	41	60.4 Å²	60.4	25%	0.252	32%	0.315	S	S	.	.			trans	-84.4	149	177.7	61.7	0	0	0	0	112	N63 V169 F171 K172	N63-T174 PolarHBondContact N-O 3.02Å; V169-T174 VanDerWaalsContact C-OG1 3.28Å; V169-T174 WeakPolarHBondContact CA-OG1 3.25Å; F171-T174 HydrophobicContact CB-CG2 3.93Å; F171-T174 WeakPolarHBondContact O-CB 3.5Å; F171-T174 PolarHBondContact O-N 2.91Å; F171-T174 PolarHBondContact O-OG1 2.83Å; K172-T174 VanDerWaalsContact C-N 3.28Å; K172-T174 PolarHBondContact O-N 2.86Å
175	K	98.5	Very high	98.1	Very high	129 Å²	129	57.6 Å²	57.6	56%	0.561	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.4	143.5	-173.5	-178.7	170.9	-174.2	167.3	0	110.3	S60 I61 T62	S60-K175 WeakPolarHBondContact OG-CE 3.47Å; S60-K175 PolarHBondContact OG-NZ 3.32Å; I61-K175 WeakPolarHBondContact O-CA 3.25Å; T62-K175 HydrophobicContact CG2-CB 4.24Å; T62-K175 HydrophobicContact CG2-CG 4.48Å; T62-K175 WeakPolarHBondContact OG1-CG 3.09Å
176	A	98.5	Very high	98.1	Very high	27 Å²	27	56.6 Å²	56.6	22%	0.223	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.7	174.4	0	0	0	0	0	111.2	S60 I61 M168 V169	S60-A176 CarbonylContact C-O 3.42Å; S60-A176 VanDerWaalsContact CA-O 3.27Å; S60-A176 WeakPolarHBondContact CA-O 3Å; S60-A176 WeakPolarHBondContact CB-O 3.4Å; I61-A176 HydrophobicContact CG2-CB 3.97Å; I61-A176 PolarHBondContact N-O 3.34Å; I61-A176 PolarHBondContact O-N 3.37Å; M168-A176 HydrophobicContact CB-CB 4.39Å; V169-A176 HydrophobicContact CG1-CB 4.06Å
177	Q	98.2	Very high	98.1	Very high	167 Å²	167	57.3 Å²	57.3	78%	0.78	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.4	136.2	172.7	-172.2	177.4	23	0	0	110
178	F	97.9	Very high	98.2	Very high	9 Å²	9	50.6 Å²	50.6	4%	0.039	27%	0.273	C	S	.	.			trans	-143.7	68.3	-178.8	-160.6	-109.6	0	0	0	109.9	S58 L59 I61 V70 R161 L162 A165 F181	S58-F178 CarbonylContact C-O 3.58Å; S58-F178 WeakPolarHBondContact CB-O 3.37Å; S58-F178 PolarHBondContact OG-O 3.42Å; L59-F178 PolarHBondContact O-N 3.27Å; I61-F178 HydrophobicContact CB-CB 3.88Å; I61-F178 HydrophobicContact CB-CD2 4.35Å; I61-F178 HydrophobicContact CB-CG 4.03Å; I61-F178 HydrophobicContact CG2-CB 3.95Å; I61-F178 HydrophobicContact CG2-CD2 4.16Å; I61-F178 HydrophobicContact CG2-CG 4.21Å; V70-F178 HydrophobicContact CG1-CD1 3.83Å; V70-F178 HydrophobicContact CG1-CE1 4.42Å; V70-F178 HydrophobicContact CG2-CD1 3.95Å; V70-F178 HydrophobicContact CG2-CE1 4.11Å; R161-F178 HydrophobicContact CG-CE2 4.12Å; R161-F178 HydrophobicContact CG-CZ 4.32Å; L162-F178 HydrophobicContact CB-CZ 4.15Å; A165-F178 HydrophobicContact CB-CD2 4.25Å; A165-F178 HydrophobicContact CB-CE2 4.04Å; F178-F181 HydrophobicContact CD1-CB 3.87Å; F178-F181 HydrophobicContact CD1-CG 4.2Å; F178-F181 HydrophobicContact CE1-CB 3.47Å; F178-F181 VanDerWaalsContact CE1-CB 3.47Å; F178-F181 AromaticContact CE1-CD1 3.95Å; F178-F181 HydrophobicContact CE1-CD1 3.95Å; F178-F181 AromaticContact CE1-CD2 3.44Å; F178-F181 HydrophobicContact CE1-CD2 3.44Å; F178-F181 VanDerWaalsContact CE1-CD2 3.44Å; F178-F181 HydrophobicContact CE1-CE2 4.13Å; F178-F181 AromaticContact CE1-CG 3.33Å; F178-F181 HydrophobicContact CE1-CG 3.33Å; F178-F181 HydrophobicContact CZ-CB 4.23Å; F178-F181 AromaticContact CZ-CD2 3.52Å; F178-F181 HydrophobicContact CZ-CD2 3.52Å; F178-F181 HydrophobicContact CZ-CE2 4.03Å; F178-F181 AromaticContact CZ-CG 3.94Å; F178-F181 HydrophobicContact CZ-CG 3.94Å
179	S	96.4	Very high	98.2	Very high	49 Å²	49	49.1 Å²	49.1	34%	0.343	28%	0.28	S	S	.	.			trans	-83.5	158.7	-176.9	53.8	0	0	0	0	112.7	S58 R161 F181	S58-S179 WeakPolarHBondContact O-CA 3.45Å; S58-S179 VanDerWaalsContact OG-C 3.27Å; R161-S179 PolarHBondContact NH1-O 3.39Å; R161-S179 PolarHBondContact NH2-O 3.05Å; S179-F181 VanDerWaalsContact C-N 3.32Å; S179-F181 PolarHBondContact O-N 3.36Å
180	C	97.1	Very high	98.1	Very high	63 Å²	63	50.7 Å²	50.7	43%	0.426	29%	0.291	S	S	.	.	S	Bend	trans	56.3	39.8	172.4	-67.5	0	0	0	0	115.3	A55 C56 S58 R161	A55-C180 CarbonylContact O-C 3.6Å; A55-C180 WeakPolarHBondContact O-CA 3.37Å; C56-C180 HydrophobicContact CB-CB 4.12Å; C56-C180 WeakPolarHBondContact CB-SG 3Å; C56-C180 VanDerWaalsContact SG-CA 3.55Å; C56-C180 WeakPolarHBondContact SG-CB 3.18Å; C56-C180 CovalentContact SG-SG 2.06Å; C56-C180 PolarHBondContact SG-SG 3Å; S58-C180 PolarHBondContact OG-N 3.06Å; R161-C180 PolarHBondContact NH1-O 3.02Å
181	F	97.9	Very high	98.1	Very high	6 Å²	6	51.2 Å²	51.2	3%	0.026	29%	0.293	C	S	.	.			trans	-105.2	113.9	170.1	-173.4	-90.7	0	0	0	110.1	A55 S58 F95 L162 F178 S179 P183 L186	A55-F181 CarbonylContact O-C 3.54Å; A55-F181 PolarHBondContact O-N 3.28Å; S58-F181 PolarHBondContact OG-N 3.06Å; F95-F181 AromaticContact CE1-CD1 3.89Å; F95-F181 HydrophobicContact CE1-CD1 3.89Å; F95-F181 AromaticContact CE1-CE1 3.78Å; F95-F181 HydrophobicContact CE1-CE1 3.78Å; F95-F181 AromaticContact CZ-CD1 3.98Å; F95-F181 HydrophobicContact CZ-CD1 3.98Å; F95-F181 AromaticContact CZ-CE1 3.62Å; F95-F181 HydrophobicContact CZ-CE1 3.62Å; F95-F181 HydrophobicContact CZ-CZ 4.48Å; L162-F181 HydrophobicContact CB-CE2 4.48Å; F178-F181 HydrophobicContact CD1-CB 3.87Å; F178-F181 HydrophobicContact CD1-CG 4.2Å; F178-F181 HydrophobicContact CE1-CB 3.47Å; F178-F181 VanDerWaalsContact CE1-CB 3.47Å; F178-F181 AromaticContact CE1-CD1 3.95Å; F178-F181 HydrophobicContact CE1-CD1 3.95Å; F178-F181 AromaticContact CE1-CD2 3.44Å; F178-F181 HydrophobicContact CE1-CD2 3.44Å; F178-F181 VanDerWaalsContact CE1-CD2 3.44Å; F178-F181 HydrophobicContact CE1-CE2 4.13Å; F178-F181 AromaticContact CE1-CG 3.33Å; F178-F181 HydrophobicContact CE1-CG 3.33Å; F178-F181 HydrophobicContact CZ-CB 4.23Å; F178-F181 AromaticContact CZ-CD2 3.52Å; F178-F181 HydrophobicContact CZ-CD2 3.52Å; F178-F181 HydrophobicContact CZ-CE2 4.03Å; F178-F181 AromaticContact CZ-CG 3.94Å; F178-F181 HydrophobicContact CZ-CG 3.94Å; S179-F181 VanDerWaalsContact C-N 3.32Å; S179-F181 PolarHBondContact O-N 3.36Å; F181-P183 VanDerWaalsContact O-CD 3.32Å; F181-P183 WeakPolarHBondContact O-CD 3.36Å; F181-L186 HydrophobicContact CE1-CD1 3.76Å; F181-L186 HydrophobicContact CE1-CG 4.1Å; F181-L186 HydrophobicContact CZ-CD1 3.79Å; F181-L186 HydrophobicContact CZ-CD2 4.14Å; F181-L186 HydrophobicContact CZ-CG 3.92Å
182	N	98.3	Very high	98.1	Very high	46 Å²	46	54.5 Å²	54.5	25%	0.246	31%	0.309	C	S	.	.			trans	-84.2	112.5	176.9	-165.6	-34.9	0	0	0	110.3	Y53 A55 K184 C185	Y53-N182 PolarHBondContact O-ND2 3.01Å; Y53-N182 VanDerWaalsContact O-ND2 3.17Å; A55-N182 HydrophobicContact CB-CB 4.29Å; N182-K184 PolarHBondContact O-N 3.28Å; N182-K184 VanDerWaalsContact O-N 3.1Å; N182-K184 WeakPolarHBondContact OD1-CB 3.35Å; N182-K184 PolarHBondContact OD1-N 3.13Å; N182-C185 PolarHBondContact O-N 3.41Å; N182-C185 VanDerWaalsContact O-N 3.14Å; N182-C185 PolarHBondContact O-SG 3.17Å
183	P	98.2	Very high	98.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-65.4	-15.8	-179.6	25.4	-31.4	0	0	0	113.3	Y53 F72 L92 F95 L122 F181 C185 L186	Y53-P183 HydrophobicContact CD2-CB 4.16Å; Y53-P183 HydrophobicContact CD2-CG 3.66Å; Y53-P183 HydrophobicContact CE2-CB 4.43Å; Y53-P183 HydrophobicContact CE2-CG 4.25Å; Y53-P183 HydrophobicContact CG-CG 3.82Å; F72-P183 HydrophobicContact CE1-CG 3.89Å; F72-P183 HydrophobicContact CZ-CB 4.19Å; F72-P183 HydrophobicContact CZ-CG 3.84Å; L92-P183 HydrophobicContact CD2-CB 4.39Å; L92-P183 HydrophobicContact CD2-CG 3.7Å; F95-P183 HydrophobicContact CD1-CB 4.17Å; F95-P183 HydrophobicContact CE1-CB 4.25Å; L122-P183 HydrophobicContact CD2-CB 3.76Å; F181-P183 VanDerWaalsContact O-CD 3.32Å; F181-P183 WeakPolarHBondContact O-CD 3.36Å; P183-C185 PolarHBondContact O-N 2.77Å; P183-C185 VanDerWaalsContact O-N 3.16Å; P183-L186 PolarHBondContact O-N 3.47Å
184	K	98.1	Very high	98.2	Very high	110 Å²	110	48 Å²	48	48%	0.478	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-59.3	-25.8	174	-169.7	173.2	-178.2	174.1	0	112.6	Y53 N182 L186 L187	Y53-K184 HydrophobicContact CD2-CB 4.15Å; N182-K184 PolarHBondContact O-N 3.28Å; N182-K184 VanDerWaalsContact O-N 3.1Å; N182-K184 WeakPolarHBondContact OD1-CB 3.35Å; N182-K184 PolarHBondContact OD1-N 3.13Å; K184-L186 PolarHBondContact O-N 3.06Å; K184-L187 HydrophobicContact CB-CD1 4.43Å; K184-L187 HydrophobicContact CG-CD1 4.14Å; K184-L187 WeakPolarHBondContact O-CB 3.09Å; K184-L187 PolarHBondContact O-N 2.84Å
185	C	97.9	Very high	98.2	Very high	38 Å²	38	46.3 Å²	46.3	26%	0.257	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-68.8	-14.5	176	76.5	0	0	0	0	113.5	H156 S158 N182 P183	H156-C185 PolarHBondContact CE1-O 3.2Å; H156-C185 PolarHBondContact NE2-O 3.46Å; S158-C185 WeakPolarHBondContact CB-SG 3.41Å; N182-C185 PolarHBondContact O-N 3.41Å; N182-C185 VanDerWaalsContact O-N 3.14Å; N182-C185 PolarHBondContact O-SG 3.17Å; P183-C185 PolarHBondContact O-N 2.77Å; P183-C185 VanDerWaalsContact O-N 3.16Å
186	L	98.6	Very high	98.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-100.8	20.5	177.6	-56.5	-176.5	0	0	0	112.2	F95 F97 L120 M159 F181 P183 K184 I218	F95-L186 HydrophobicContact CE2-CD1 4.27Å; F95-L186 HydrophobicContact CZ-CD1 4.16Å; F97-L186 HydrophobicContact CZ-CD1 4.21Å; L120-L186 HydrophobicContact CD2-CB 3.74Å; L120-L186 HydrophobicContact CD2-CD1 4.03Å; M159-L186 HydrophobicContact CE-CD1 4.43Å; M159-L186 HydrophobicContact CE-CD2 3.65Å; M159-L186 HydrophobicContact SD-CD2 4.32Å; F181-L186 HydrophobicContact CE1-CD1 3.76Å; F181-L186 HydrophobicContact CE1-CG 4.1Å; F181-L186 HydrophobicContact CZ-CD1 3.79Å; F181-L186 HydrophobicContact CZ-CD2 4.14Å; F181-L186 HydrophobicContact CZ-CG 3.92Å; P183-L186 PolarHBondContact O-N 3.47Å; K184-L186 PolarHBondContact O-N 3.06Å; L186-I218 HydrophobicContact CB-CD1 4.37Å
187	L	98.6	Very high	98.2	Very high	16 Å²	16	41.7 Å²	41.7	8%	0.084	23%	0.232	C	C	.	.	S	Bend	trans	-107.8	143.7	178.3	-58.5	177.6	0	0	0	109.9	L51 Y53 L122 V148 K184 L214	L51-L187 HydrophobicContact CB-CD1 3.86Å; L51-L187 HydrophobicContact CD1-CD1 3.51Å; L51-L187 HydrophobicContact CD1-CD2 3.99Å; L51-L187 HydrophobicContact CD1-CG 4.36Å; L51-L187 HydrophobicContact CG-CD1 4.29Å; Y53-L187 HydrophobicContact CD2-CD1 4.39Å; Y53-L187 HydrophobicContact CE2-CD1 4.08Å; L122-L187 HydrophobicContact CD1-CD2 4.13Å; V148-L187 HydrophobicContact CG2-CD2 4.11Å; K184-L187 HydrophobicContact CB-CD1 4.43Å; K184-L187 HydrophobicContact CG-CD1 4.14Å; K184-L187 WeakPolarHBondContact O-CB 3.09Å; K184-L187 PolarHBondContact O-N 2.84Å; L187-L214 HydrophobicContact CD2-CD1 4.27Å
188	P	98.3	Very high	98.2	Very high	11 Å²	11	33.7 Å²	33.7	7%	0.071	20%	0.195	C	C	.	.			trans	-64	173.7	171.3	31.2	-38.2	0	0	0	111	R191 L214 E216 I218	P188-R191 PolarHBondContact O-NH1 3.49Å; P188-L214 HydrophobicContact CG-CB 4.37Å; P188-L214 HydrophobicContact CG-CD1 3.68Å; P188-E216 HydrophobicContact CB-CB 3.8Å; P188-E216 HydrophobicContact CB-CG 3.85Å; P188-E216 HydrophobicContact CG-CB 4.23Å; P188-E216 WeakPolarHBondContact CG-O 3.34Å; P188-I218 HydrophobicContact CB-CG2 4.26Å
189	A	97.6	Very high	98.3	Very high	94 Å²	94	33.3 Å²	33.3	78%	0.777	19%	0.193	S	C	*	.	S	Bend	trans	-69.7	-42.8	174.2	0	0	0	0	0	111.1	R191	A189-R191 PolarHBondContact O-NH1 3.09Å
190	S	98	Very high	98.4	Very high	33 Å²	33	32.3 Å²	32.3	23%	0.231	18%	0.184	C	C	.	.			trans	-69.9	151.8	179.1	-167.2	0	0	0	0	113.1	H192 E216	S190-H192 PolarHBondContact OG-CD2 2.96Å; S190-H192 VanDerWaalsContact OG-CD2 3.32Å; S190-H192 PolarHBondContact OG-N 2.9Å; S190-E216 WeakPolarHBondContact CB-OE2 3.31Å; S190-E216 PolarHBondContact N-OE2 3.34Å
191	R	98.3	Very high	98.5	Very high	76 Å²	76	29.5 Å²	29.5	29%	0.287	17%	0.165	S	C	.	.			trans	-114.5	19.9	169.1	-64.8	-69.7	172.7	-81.5	1.9	111.8	P188 A189 Y193	P188-R191 PolarHBondContact O-NH1 3.49Å; A189-R191 PolarHBondContact O-NH1 3.09Å; R191-Y193 VanDerWaalsContact O-CD1 3.25Å; R191-Y193 WeakPolarHBondContact O-CD1 3.26Å
192	H	98.7	Very high	98.5	Very high	77 Å²	77	30.8 Å²	30.8	36%	0.356	17%	0.173	S	C	.	.			trans	-72.9	140.8	170.7	-75.3	-54.5	0	0	0	111	S190 R215 F262	S190-H192 PolarHBondContact OG-CD2 2.96Å; S190-H192 VanDerWaalsContact OG-CD2 3.32Å; S190-H192 PolarHBondContact OG-N 2.9Å; H192-R215 HydrophobicContact CB-CB 4.12Å; H192-R215 PolarHBondContact O-N 2.82Å; H192-F262 HydrophobicContact CB-CB 4.43Å; H192-F262 HydrophobicContact CB-CD1 3.65Å; H192-F262 HydrophobicContact CB-CE1 4.2Å; H192-F262 HydrophobicContact CB-CG 4.21Å; H192-F262 WeakPolarHBondContact ND1-CB 3.16Å
193	Y	98.9	Very high	98.5	Very high	3 Å²	3	29.3 Å²	29.3	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	159.3	-172.8	63.4	-90.1	0	0	0	112.1	L46 Q47 L49 G84 R191 T195 I212 V213 S261	L46-Y193 WeakPolarHBondContact CB-OH 3.42Å; L46-Y193 HydrophobicContact CD1-CE2 4.07Å; Q47-Y193 PolarHBondContact O-OH 3.48Å; L49-Y193 HydrophobicContact CB-CD1 3.86Å; L49-Y193 HydrophobicContact CB-CE1 3.51Å; L49-Y193 HydrophobicContact CD2-CD1 3.68Å; L49-Y193 HydrophobicContact CD2-CE1 4.16Å; L49-Y193 HydrophobicContact CD2-CG 4.21Å; L49-Y193 HydrophobicContact CG-CD1 4.37Å; L49-Y193 HydrophobicContact CG-CE1 4.38Å; G84-Y193 WeakPolarHBondContact CA-OH 3.37Å; R191-Y193 VanDerWaalsContact O-CD1 3.25Å; R191-Y193 WeakPolarHBondContact O-CD1 3.26Å; Y193-T195 HydrophobicContact CD2-CG2 4.32Å; Y193-T195 HydrophobicContact CE2-CG2 3.9Å; Y193-I212 HydrophobicContact CD1-CG2 4.46Å; Y193-I212 HydrophobicContact CD2-CG2 3.86Å; Y193-I212 HydrophobicContact CG-CG2 3.82Å; Y193-V213 CarbonylContact C-O 3.51Å; Y193-V213 WeakPolarHBondContact CA-O 3.48Å; Y193-V213 WeakPolarHBondContact CB-O 3.34Å; Y193-S261 WeakPolarHBondContact CD1-OG 3.47Å; Y193-S261 WeakPolarHBondContact CE1-OG 3.41Å; Y193-S261 PolarHBondContact N-OG 3.04Å; Y193-S261 PolarHBondContact O-N 3.43Å; Y193-S261 PolarHBondContact O-OG 3.04Å
194	W	98.9	Very high	98.5	Very high	12 Å²	12	32.6 Å²	32.6	5%	0.045	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	150.4	159.6	-65.1	-78.6	0	0	0	110.5	I35 V111 I212 V213 R215 V258 K259 F262	I35-W194 HydrophobicContact CD1-CB 4.26Å; I35-W194 HydrophobicContact CD1-CD2 4.34Å; I35-W194 HydrophobicContact CD1-CE3 4.12Å; I35-W194 HydrophobicContact CD1-CG 4.44Å; I35-W194 HydrophobicContact CG2-CD2 3.81Å; I35-W194 HydrophobicContact CG2-CE3 4.38Å; I35-W194 HydrophobicContact CG2-CG 3.89Å; I35-W194 HydrophobicContact CG2-CZ2 4.32Å; V111-W194 HydrophobicContact CG1-CH2 3.92Å; V111-W194 HydrophobicContact CG1-CZ2 4.38Å; V111-W194 HydrophobicContact CG2-CH2 4.21Å; V111-W194 HydrophobicContact CG2-CZ3 4.05Å; W194-I212 CarbonylContact O-C 3.53Å; W194-I212 WeakPolarHBondContact O-CA 3.32Å; W194-V213 PolarHBondContact N-O 2.73Å; W194-V213 PolarHBondContact O-N 2.81Å; W194-R215 HydrophobicContact CH2-CB 4.44Å; W194-R215 HydrophobicContact CH2-CG 3.94Å; W194-R215 HydrophobicContact CZ3-CB 4.16Å; W194-R215 HydrophobicContact CZ3-CG 4.15Å; W194-V258 HydrophobicContact CB-CG1 3.87Å; W194-V258 HydrophobicContact CG-CG1 4.17Å; W194-K259 CarbonylContact C-O 3.58Å; W194-K259 WeakPolarHBondContact CA-O 3.39Å; W194-F262 HydrophobicContact CD2-CE1 4.35Å; W194-F262 HydrophobicContact CD2-CZ 4.18Å; W194-F262 AromaticContact CE2-CZ 3.53Å; W194-F262 HydrophobicContact CH2-CZ 4.12Å; W194-F262 HydrophobicContact CZ2-CE1 4.45Å; W194-F262 HydrophobicContact CZ2-CE2 4.3Å; W194-F262 AromaticContact CZ2-CZ 3.52Å; W194-F262 HydrophobicContact CZ2-CZ 3.52Å; W194-F262 AromaticContact NE1-CZ 3.76Å
195	T	98.9	Very high	98.5	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.037	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	143.4	174.8	-178.1	0	0	0	0	112.6	L46 P85 Y193 W211 K259	L46-T195 HydrophobicContact CD1-CG2 4.11Å; P85-T195 HydrophobicContact CB-CG2 4.04Å; P85-T195 HydrophobicContact CG-CG2 4.15Å; P85-T195 WeakPolarHBondContact CG-OG1 3.28Å; Y193-T195 HydrophobicContact CD2-CG2 4.32Å; Y193-T195 HydrophobicContact CE2-CG2 3.9Å; T195-W211 WeakPolarHBondContact CA-O 3.07Å; T195-W211 WeakPolarHBondContact CB-O 3.4Å; T195-W211 PolarHBondContact OG1-O 2.65Å; T195-K259 HydrophobicContact CG2-CB 3.84Å; T195-K259 PolarHBondContact N-O 2.92Å; T195-K259 PolarHBondContact O-N 3.27Å
196	Y	98.9	Very high	98.5	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	155.4	177.9	73.9	-82.4	0	0	0	111.1	S31 I33 H109 W211	S31-Y196 WeakPolarHBondContact CB-OH 3.45Å; S31-Y196 WeakPolarHBondContact OG-CE2 3.4Å; S31-Y196 PolarHBondContact OG-OH 2.92Å; I33-Y196 HydrophobicContact CD1-CD1 3.78Å; I33-Y196 HydrophobicContact CD1-CD2 3.89Å; I33-Y196 HydrophobicContact CD1-CE1 3.77Å; I33-Y196 HydrophobicContact CD1-CE2 3.91Å; I33-Y196 HydrophobicContact CD1-CG 3.86Å; I33-Y196 HydrophobicContact CG1-CD1 4.37Å; I33-Y196 HydrophobicContact CG1-CE1 3.84Å; I33-Y196 HydrophobicContact CG1-CE2 4.12Å; I33-Y196 HydrophobicContact CG2-CE2 4.09Å; H109-Y196 AromaticContact NE2-CE1 3.5Å; H109-Y196 AromaticContact NE2-CZ 3.48Å; H109-Y196 PolarHBondContact NE2-OH 3.49Å; Y196-W211 HydrophobicContact CD1-CB 3.69Å; Y196-W211 HydrophobicContact CD1-CG 4.4Å; Y196-W211 HydrophobicContact CE1-CB 3.38Å; Y196-W211 HydrophobicContact CE1-CD2 4.45Å; Y196-W211 AromaticContact CE1-CG 3.67Å; Y196-W211 HydrophobicContact CE1-CG 3.67Å; Y196-W211 HydrophobicContact CE2-CB 4.49Å; Y196-W211 AromaticContact CE2-CD1 3.99Å; Y196-W211 HydrophobicContact CE2-CG 4.36Å; Y196-W211 HydrophobicContact CG-CB 4.36Å; Y196-W211 AromaticContact CZ-CD1 3.59Å; Y196-W211 AromaticContact CZ-CG 3.63Å; Y196-W211 PolarHBondContact N-O 2.97Å; Y196-W211 PolarHBondContact O-N 3.31Å
197	P	98.9	Very high	98.5	Very high	56 Å²	56	28.9 Å²	28.9	36%	0.364	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.8	171.2	29.8	-33.1	0	0	0	110.6	R256	P197-R256 WeakPolarHBondContact O-CD 3.26Å; P197-R256 PolarHBondContact O-NH1 2.6Å; P197-R256 VanDerWaalsContact O-NH1 3.16Å
198	G	98.9	Very high	98.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	-157.3	-175.1	0	0	0	0	0	114	R29 S31 E207 V209	R29-G198 PolarHBondContact NE-O 2.9Å; R29-G198 PolarHBondContact NH2-O 3.37Å; R29-G198 CarbonylContact O-C 3.56Å; R29-G198 WeakPolarHBondContact O-CA 3.47Å; S31-G198 VanDerWaalsContact OG-CA 3.29Å; S31-G198 WeakPolarHBondContact OG-CA 3.33Å; G198-E207 CarbonylContact O-C 3.54Å; G198-V209 CarbonylContact C-O 3.54Å; G198-V209 PolarHBondContact N-O 3.07Å; G198-V209 PolarHBondContact O-N 3.29Å
199	S	98.9	Very high	98.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.163	C	C	.	.			trans	-128.6	172.5	179.7	74.6	0	0	0	0	112.1	R29 Q30 S31 L205 S206 V209 W211	R29-S199 PolarHBondContact O-N 2.86Å; Q30-S199 WeakPolarHBondContact CA-OG 3.39Å; S31-S199 WeakPolarHBondContact CB-O 3.32Å; S31-S199 PolarHBondContact N-OG 2.85Å; S31-S199 PolarHBondContact OG-N 3.2Å; S199-L205 WeakPolarHBondContact CB-O 3.39Å; S199-S206 CarbonylContact C-O 3.51Å; S199-S206 WeakPolarHBondContact CA-O 3.32Å; S199-S206 VanDerWaalsContact CB-O 3.26Å; S199-S206 WeakPolarHBondContact CB-O 3.34Å; S199-V209 VanDerWaalsContact C-CG2 3.41Å; S199-W211 PolarHBondContact O-NE1 3.06Å
200	L	98.8	Very high	98.6	Very high	28 Å²	28	24.3 Å²	24.3	15%	0.147	13%	0.134	C	C	.	.			trans	-60.1	146.7	155	-66.4	174	0	0	0	109.6	L143 S206 V209	L143-L200 HydrophobicContact CD1-CD1 4.46Å; L143-L200 HydrophobicContact CD1-CD2 3.78Å; L143-L200 HydrophobicContact CD1-CG 4.19Å; L200-S206 PolarHBondContact N-O 3.21Å; L200-V209 HydrophobicContact CD2-CG2 3.95Å; L200-V209 HydrophobicContact CG-CG2 4.14Å
201	T	98.7	Very high	98.7	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.031	12%	0.123	C	C	.	.	S	Bend	trans	-95.6	-2.5	179.5	55.6	0	0	0	0	113	W18 E108 W211	W18-T201 WeakPolarHBondContact CZ3-O 3.49Å; E108-T201 WeakPolarHBondContact OE2-CB 3.35Å; E108-T201 WeakPolarHBondContact OE2-CG2 3.22Å; E108-T201 PolarHBondContact OE2-OG1 3.16Å; T201-W211 HydrophobicContact CG2-CH2 4.45Å; T201-W211 HydrophobicContact CG2-CZ2 3.82Å
202	T	98.1	Very high	98.7	Very high	33 Å²	33	19.2 Å²	19.2	20%	0.202	11%	0.109	C	C	.	.	S	Bend	trans	-123.1	154.3	170.9	60.1	0	0	0	0	110.6	W7 Y9 L205	W7-T202 HydrophobicContact CH2-CG2 3.84Å; W7-T202 HydrophobicContact CZ3-CG2 4.16Å; Y9-T202 WeakPolarHBondContact OH-CG2 3.4Å; T202-L205 WeakPolarHBondContact O-CA 3.29Å; T202-L205 WeakPolarHBondContact O-CD2 3.23Å; T202-L205 PolarHBondContact O-N 3.13Å
203	P	98	Very high	98.7	Very high	15 Å²	15	15.6 Å²	15.6	10%	0.097	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47	131.1	171.1	-32.5	40.1	0	0	0	113	W7 W18 Y22 L205	W7-P203 HydrophobicContact CB-CG 4.15Å; W7-P203 HydrophobicContact CD2-CB 4.13Å; W7-P203 HydrophobicContact CD2-CG 3.61Å; W7-P203 HydrophobicContact CE3-CG 3.99Å; W7-P203 HydrophobicContact CG-CB 4.11Å; W7-P203 HydrophobicContact CG-CG 3.68Å; W18-P203 HydrophobicContact CD2-CG 3.95Å; W18-P203 HydrophobicContact CE3-CG 4.2Å; W18-P203 HydrophobicContact CG-CG 4.17Å; Y22-P203 HydrophobicContact CD1-CB 4.11Å; Y22-P203 HydrophobicContact CD2-CB 3.82Å; Y22-P203 HydrophobicContact CD2-CG 3.85Å; Y22-P203 HydrophobicContact CE1-CB 3.83Å; Y22-P203 HydrophobicContact CE2-CB 3.53Å; Y22-P203 HydrophobicContact CE2-CG 3.78Å; Y22-P203 HydrophobicContact CG-CB 4.11Å; Y22-P203 HydrophobicContact CG-CG 4.45Å; P203-L205 HydrophobicContact CG-CG 4.44Å
204	P	97.8	Very high	98.7	Very high	69 Å²	69	15.4 Å²	15.4	45%	0.448	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87	8.8	19.4	34.9	-37.6	0	0	0	116.4	Y22 I24 S206	Y22-P204 HydrophobicContact CD1-CB 4.41Å; I24-P204 WeakPolarHBondContact CG2-O 3.46Å; P204-S206 PolarHBondContact O-N 3.19Å
205	L	98.5	Very high	98.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.111	C	C	.	.			trans	59.5	26.8	176.8	-54.1	170	0	0	0	114.1	W18 I24 A25 Q30 S199 T202 P203 E207	W18-L205 HydrophobicContact CB-CD1 4.33Å; W18-L205 HydrophobicContact CE3-CD1 4.06Å; W18-L205 HydrophobicContact CE3-CD2 3.98Å; W18-L205 HydrophobicContact CZ3-CD2 4.03Å; I24-L205 HydrophobicContact CG2-CB 4.03Å; A25-L205 HydrophobicContact CB-CD1 3.4Å; A25-L205 VanDerWaalsContact CB-CD1 3.4Å; Q30-L205 PolarHBondContact NE2-O 3.47Å; S199-L205 WeakPolarHBondContact CB-O 3.39Å; T202-L205 WeakPolarHBondContact O-CA 3.29Å; T202-L205 WeakPolarHBondContact O-CD2 3.23Å; T202-L205 PolarHBondContact O-N 3.13Å; P203-L205 HydrophobicContact CG-CG 4.44Å; L205-E207 PolarHBondContact O-N 3.2Å
206	S	98.5	Very high	98.7	Very high	24 Å²	24	24 Å²	24	17%	0.168	13%	0.127	C	C	.	.			trans	-55.5	133.6	-178.6	-59.7	0	0	0	0	111.8	A137 S199 L200 P204 S208	A137-S206 WeakPolarHBondContact O-CB 3.31Å; A137-S206 PolarHBondContact O-OG 3.21Å; S199-S206 CarbonylContact C-O 3.51Å; S199-S206 WeakPolarHBondContact CA-O 3.32Å; S199-S206 VanDerWaalsContact CB-O 3.26Å; S199-S206 WeakPolarHBondContact CB-O 3.34Å; L200-S206 PolarHBondContact N-O 3.21Å; P204-S206 PolarHBondContact O-N 3.19Å; S206-S208 WeakPolarHBondContact CB-OG 3.36Å; S206-S208 PolarHBondContact O-N 2.9Å; S206-S208 PolarHBondContact O-OG 3.08Å
207	E	98.8	Very high	98.7	Very high	45 Å²	45	25.1 Å²	25.1	21%	0.21	14%	0.135	C	C	.	.	S	Bend	trans	-81.5	51.2	179.6	-67.9	-164.8	148.4	0	0	112.4	I24 G27 D28 R29 Q30 G198 L205	I24-E207 HydrophobicContact CD1-CG 4.16Å; I24-E207 HydrophobicContact CG1-CG 4.08Å; G27-E207 WeakPolarHBondContact CA-OE1 3.47Å; D28-E207 PolarHBondContact N-OE1 2.8Å; R29-E207 VanDerWaalsContact C-OE1 3.31Å; R29-E207 WeakPolarHBondContact CA-OE1 3.35Å; R29-E207 HydrophobicContact CG-CB 3.58Å; R29-E207 HydrophobicContact CG-CG 3.65Å; R29-E207 WeakPolarHBondContact CG-OE1 3.45Å; R29-E207 VanDerWaalsContact CG-OE2 3.27Å; R29-E207 WeakPolarHBondContact CG-OE2 3.36Å; R29-E207 PolarHBondContact N-OE1 2.8Å; R29-E207 PolarHBondContact NE-O 3.21Å; R29-E207 PolarHBondContact NH2-O 2.99Å; Q30-E207 PolarHBondContact N-OE1 2.87Å; Q30-E207 PolarHBondContact NE2-OE1 2.85Å; G198-E207 CarbonylContact O-C 3.54Å; L205-E207 PolarHBondContact O-N 3.2Å
208	S	98.8	Very high	98.7	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	12%	0.119	C	C	.	.			trans	-114.4	4.5	-169.9	48.9	0	0	0	0	114.2	A137 A139 L143 S206	A137-S208 WeakPolarHBondContact O-CB 3.47Å; A137-S208 PolarHBondContact O-OG 3.17Å; A139-S208 WeakPolarHBondContact O-CA 3.48Å; A139-S208 WeakPolarHBondContact O-CB 3.34Å; L143-S208 WeakPolarHBondContact CB-O 3.42Å; L143-S208 PolarHBondContact N-O 3.34Å; S206-S208 WeakPolarHBondContact CB-OG 3.36Å; S206-S208 PolarHBondContact O-N 2.9Å; S206-S208 PolarHBondContact O-OG 3.08Å
209	V	98.9	Very high	98.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.2	-169.6	-179.1	0	0	0	0	111.4	R29 L143 V145 G198 S199 L200 W211	R29-V209 PolarHBondContact NH2-O 3.41Å; L143-V209 HydrophobicContact CB-CG2 4.01Å; L143-V209 HydrophobicContact CD1-CG2 4.01Å; V145-V209 HydrophobicContact CB-CG1 3.79Å; V145-V209 HydrophobicContact CG2-CG1 3.53Å; V145-V209 HydrophobicContact CG2-CG2 4.27Å; G198-V209 CarbonylContact C-O 3.54Å; G198-V209 PolarHBondContact N-O 3.07Å; G198-V209 PolarHBondContact O-N 3.29Å; S199-V209 VanDerWaalsContact C-CG2 3.41Å; L200-V209 HydrophobicContact CD2-CG2 3.95Å; L200-V209 HydrophobicContact CG-CG2 4.14Å; V209-W211 HydrophobicContact CG1-CD2 4.23Å; V209-W211 HydrophobicContact CG1-CG 4.01Å
210	T	98.9	Very high	98.6	Very high	25 Å²	25	24.7 Å²	24.7	15%	0.153	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	111.6	156.8	-60.8	0	0	0	0	108.5	P85 L86 L143 A144 V145	P85-T210 HydrophobicContact CB-CG2 4.28Å; P85-T210 HydrophobicContact CG-CG2 3.83Å; L86-T210 HydrophobicContact CD2-CG2 3.9Å; L143-T210 PolarHBondContact O-N 3.31Å; A144-T210 WeakPolarHBondContact CA-O 3.5Å; V145-T210 PolarHBondContact N-O 2.79Å
211	W	98.9	Very high	98.6	Very high	2 Å²	2	24 Å²	24	1%	0.008	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	139.4	179.6	-85.6	90.9	0	0	0	111.4	S31 H109 H121 V145 T195 Y196 S199 T201 V209 V213	S31-W211 PolarHBondContact OG-NE1 3.49Å; H109-W211 AromaticContact CE1-CD2 3.62Å; H109-W211 AromaticContact CE1-CE2 3.87Å; H109-W211 AromaticContact CE1-CE3 3.38Å; H109-W211 AromaticContact CE1-CH2 3.74Å; H109-W211 AromaticContact CE1-CZ2 3.94Å; H109-W211 AromaticContact CE1-CZ3 3.43Å; H109-W211 VanDerWaalsContact CE1-CZ3 3.43Å; H109-W211 WeakPolarHBondContact CE1-CZ3 3.11Å; H109-W211 AromaticContact NE2-CD2 3.94Å; H121-W211 AromaticContact CD2-CH2 3.78Å; H121-W211 AromaticContact CD2-CZ3 3.84Å; H121-W211 AromaticContact CE1-CH2 3.34Å; H121-W211 WeakPolarHBondContact CE1-CH2 3.5Å; H121-W211 AromaticContact CG-CH2 3.92Å; H121-W211 AromaticContact ND1-CH2 3.63Å; H121-W211 AromaticContact NE2-CH2 3.41Å; H121-W211 WeakPolarHBondContact NE2-CH2 3.47Å; H121-W211 AromaticContact NE2-CZ3 3.69Å; V145-W211 HydrophobicContact CB-CD2 4.39Å; V145-W211 HydrophobicContact CB-CE3 4.19Å; V145-W211 HydrophobicContact CB-CH2 4.03Å; V145-W211 HydrophobicContact CB-CZ2 4.26Å; V145-W211 HydrophobicContact CB-CZ3 4.02Å; V145-W211 HydrophobicContact CG1-CE3 4.12Å; V145-W211 HydrophobicContact CG1-CH2 3.45Å; V145-W211 VanDerWaalsContact CG1-CH2 3.45Å; V145-W211 HydrophobicContact CG1-CZ2 4.13Å; V145-W211 HydrophobicContact CG1-CZ3 3.47Å; V145-W211 VanDerWaalsContact CG1-CZ3 3.47Å; T195-W211 WeakPolarHBondContact CA-O 3.07Å; T195-W211 WeakPolarHBondContact CB-O 3.4Å; T195-W211 PolarHBondContact OG1-O 2.65Å; Y196-W211 HydrophobicContact CD1-CB 3.69Å; Y196-W211 HydrophobicContact CD1-CG 4.4Å; Y196-W211 HydrophobicContact CE1-CB 3.38Å; Y196-W211 HydrophobicContact CE1-CD2 4.45Å; Y196-W211 AromaticContact CE1-CG 3.67Å; Y196-W211 HydrophobicContact CE1-CG 3.67Å; Y196-W211 HydrophobicContact CE2-CB 4.49Å; Y196-W211 AromaticContact CE2-CD1 3.99Å; Y196-W211 HydrophobicContact CE2-CG 4.36Å; Y196-W211 HydrophobicContact CG-CB 4.36Å; Y196-W211 AromaticContact CZ-CD1 3.59Å; Y196-W211 AromaticContact CZ-CG 3.63Å; Y196-W211 PolarHBondContact N-O 2.97Å; Y196-W211 PolarHBondContact O-N 3.31Å; S199-W211 PolarHBondContact O-NE1 3.06Å; T201-W211 HydrophobicContact CG2-CH2 4.45Å; T201-W211 HydrophobicContact CG2-CZ2 3.82Å; V209-W211 HydrophobicContact CG1-CD2 4.23Å; V209-W211 HydrophobicContact CG1-CG 4.01Å; W211-V213 HydrophobicContact CE3-CG2 3.98Å
212	I	99	Very high	98.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	93.7	173.1	-59	173.2	0	0	0	106.9	L49 V81 P85 L86 V145 V146 G147 Y193 W194 L214	L49-I212 HydrophobicContact CD1-CD1 3.93Å; L49-I212 HydrophobicContact CD1-CG2 4.17Å; L49-I212 HydrophobicContact CD2-CG2 3.55Å; V81-I212 HydrophobicContact CG2-CD1 4.45Å; P85-I212 HydrophobicContact CG-CD1 4.06Å; P85-I212 HydrophobicContact CG-CG1 4.02Å; L86-I212 HydrophobicContact CD1-CD1 4.08Å; L86-I212 HydrophobicContact CD2-CD1 4.33Å; L86-I212 HydrophobicContact CG-CD1 4.16Å; V145-I212 PolarHBondContact O-N 2.85Å; V146-I212 CarbonylContact C-O 3.55Å; V146-I212 VanDerWaalsContact CA-O 3.25Å; V146-I212 WeakPolarHBondContact CA-O 3.46Å; V146-I212 HydrophobicContact CG2-CB 4.31Å; G147-I212 PolarHBondContact N-O 2.85Å; Y193-I212 HydrophobicContact CD1-CG2 4.46Å; Y193-I212 HydrophobicContact CD2-CG2 3.86Å; Y193-I212 HydrophobicContact CG-CG2 3.82Å; W194-I212 CarbonylContact O-C 3.53Å; W194-I212 WeakPolarHBondContact O-CA 3.32Å; I212-L214 HydrophobicContact CG2-CD2 4.48Å
213	V	98.9	Very high	98.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	113.6	-177.5	-175.6	0	0	0	0	108.7	I35 F149 Y193 W194 W211	I35-V213 HydrophobicContact CD1-CB 4.08Å; I35-V213 HydrophobicContact CD1-CG1 4.05Å; I35-V213 HydrophobicContact CD1-CG2 4.22Å; F149-V213 HydrophobicContact CD2-CG1 4.37Å; F149-V213 HydrophobicContact CE2-CG1 3.53Å; F149-V213 HydrophobicContact CZ-CG1 3.67Å; Y193-V213 CarbonylContact C-O 3.51Å; Y193-V213 WeakPolarHBondContact CA-O 3.48Å; Y193-V213 WeakPolarHBondContact CB-O 3.34Å; W194-V213 PolarHBondContact N-O 2.73Å; W194-V213 PolarHBondContact O-N 2.81Å; W211-V213 HydrophobicContact CE3-CG2 3.98Å
214	L	98.9	Very high	98.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	139.7	179.9	-59.6	-168.7	0	0	0	110.5	L49 V146 G147 V148 L187 P188 I212	L49-L214 HydrophobicContact CD2-CD2 3.8Å; V146-L214 HydrophobicContact CG1-CD1 4.34Å; V146-L214 HydrophobicContact CG1-CD2 4.29Å; V146-L214 HydrophobicContact CG1-CG 4.06Å; G147-L214 PolarHBondContact O-N 2.93Å; V148-L214 HydrophobicContact CG2-CD1 3.88Å; V148-L214 HydrophobicContact CG2-CG 4.29Å; L187-L214 HydrophobicContact CD2-CD1 4.27Å; P188-L214 HydrophobicContact CG-CB 4.37Å; P188-L214 HydrophobicContact CG-CD1 3.68Å; I212-L214 HydrophobicContact CG2-CD2 4.48Å
215	R	98.6	Very high	98.8	Very high	118 Å²	118	28.1 Å²	28.1	45%	0.445	13%	0.134	S	C	.	.	S	Bend	trans	-68.3	-44.7	-177.4	-176.8	-164.8	178.7	-173.6	-0.7	112	H192 W194 F262	H192-R215 HydrophobicContact CB-CB 4.12Å; H192-R215 PolarHBondContact O-N 2.82Å; W194-R215 HydrophobicContact CH2-CB 4.44Å; W194-R215 HydrophobicContact CH2-CG 3.94Å; W194-R215 HydrophobicContact CZ3-CB 4.16Å; W194-R215 HydrophobicContact CZ3-CG 4.15Å; R215-F262 HydrophobicContact CB-CE1 3.96Å; R215-F262 HydrophobicContact CB-CZ 4.04Å; R215-F262 VanDerWaalsContact CD-CZ 3.44Å; R215-F262 HydrophobicContact CG-CE1 4.07Å; R215-F262 HydrophobicContact CG-CE2 4.17Å; R215-F262 HydrophobicContact CG-CZ 3.64Å
216	E	98.7	Very high	98.8	Very high	81 Å²	81	29.7 Å²	29.7	38%	0.379	15%	0.15	S	C	.	.	S	Bend	trans	-88.6	128	-174.8	-171.9	179.3	-167.8	0	0	109.4	P188 S190	P188-E216 HydrophobicContact CB-CB 3.8Å; P188-E216 HydrophobicContact CB-CG 3.85Å; P188-E216 HydrophobicContact CG-CB 4.23Å; P188-E216 WeakPolarHBondContact CG-O 3.34Å; S190-E216 WeakPolarHBondContact CB-OE2 3.31Å; S190-E216 PolarHBondContact N-OE2 3.34Å
217	P	98.7	Very high	98.8	Very high	26 Å²	26	32.6 Å²	32.6	17%	0.169	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-72.5	163.4	172.4	32.6	-35.1	0	0	0	110.8	F116 F149 E151	F116-P217 HydrophobicContact CD1-CB 4.38Å; F116-P217 HydrophobicContact CE1-CB 3.99Å; F116-P217 HydrophobicContact CE1-CG 4.09Å; F149-P217 HydrophobicContact CB-CB 3.86Å; F149-P217 CarbonylContact O-C 3.49Å; F149-P217 WeakPolarHBondContact O-CA 3.34Å; F149-P217 WeakPolarHBondContact O-CB 3.11Å; E151-P217 HydrophobicContact CB-CB 4.48Å; E151-P217 HydrophobicContact CG-CB 4.11Å; E151-P217 HydrophobicContact CG-CG 4Å; E151-P217 WeakPolarHBondContact OE2-CG 3.31Å
218	I	98.8	Very high	98.8	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.036	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	150.9	158.1	65	174.7	0	0	0	109.3	V148 F149 L150 E151 M159 L186 P188	V148-I218 HydrophobicContact CG1-CG1 4.29Å; V148-I218 HydrophobicContact CG1-CG2 3.99Å; F149-I218 PolarHBondContact O-N 2.97Å; L150-I218 WeakPolarHBondContact CA-O 3.37Å; L150-I218 HydrophobicContact CD1-CD1 4.43Å; L150-I218 HydrophobicContact CD1-CG1 4.35Å; L150-I218 HydrophobicContact CD2-CD1 4.39Å; L150-I218 HydrophobicContact CG-CD1 4.01Å; L150-I218 HydrophobicContact CG-CG1 3.77Å; E151-I218 PolarHBondContact N-O 3.07Å; M159-I218 HydrophobicContact CE-CD1 4.4Å; L186-I218 HydrophobicContact CB-CD1 4.37Å; P188-I218 HydrophobicContact CB-CG2 4.26Å
219	C	98.5	Very high	98.8	Very high	40 Å²	40	32.2 Å²	32.2	27%	0.27	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134.6	177.7	-175.1	0	0	0	0	110	E151 G153 D154 H156	E151-C219 HydrophobicContact CG-CB 4.41Å; E151-C219 WeakPolarHBondContact O-CA 3.09Å; G153-C219 WeakPolarHBondContact CA-SG 3.29Å; G153-C219 PolarHBondContact N-SG 2.86Å; G153-C219 VanDerWaalsContact N-SG 3.35Å; D154-C219 PolarHBondContact N-SG 3.14Å; H156-C219 WeakPolarHBondContact CB-O 3.35Å; H156-C219 PolarHBondContact CD2-O 2.99Å
220	I	98.8	Very high	98.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	159.2	171.5	63.7	164.7	0	0	0	110.1	L150 E151 T152 G153 D154 H156 M159 Q224 M225	L150-I220 HydrophobicContact CD2-CD1 3.67Å; L150-I220 HydrophobicContact CD2-CG1 4.29Å; L150-I220 HydrophobicContact CD2-CG2 4.18Å; E151-I220 PolarHBondContact O-N 2.72Å; T152-I220 CarbonylContact C-O 3.49Å; T152-I220 VanDerWaalsContact CA-O 3.24Å; T152-I220 WeakPolarHBondContact CA-O 3.4Å; G153-I220 PolarHBondContact N-O 3.22Å; D154-I220 CarbonylContact O-C 3.56Å; D154-I220 WeakPolarHBondContact O-CA 3.37Å; H156-I220 HydrophobicContact CB-CB 4.35Å; H156-I220 HydrophobicContact CB-CG2 3.72Å; M159-I220 HydrophobicContact CB-CG2 4.45Å; M159-I220 HydrophobicContact CE-CG2 4.11Å; M159-I220 HydrophobicContact CG-CG2 4.23Å; I220-Q224 HydrophobicContact CB-CB 4.39Å; I220-Q224 HydrophobicContact CD1-CB 4.44Å; I220-M225 HydrophobicContact CD1-CG 3.58Å; I220-M225 HydrophobicContact CD1-SD 3.16Å; I220-M225 WeakPolarHBondContact CD1-SD 3.32Å; I220-M225 HydrophobicContact CG1-CG 4.12Å; I220-M225 HydrophobicContact CG1-SD 4.19Å
221	S	98.7	Very high	98.8	Very high	14 Å²	14	33.5 Å²	33.5	10%	0.098	17%	0.166	C	C	.	.			trans	-78.1	155.9	179.9	67.2	0	0	0	0	112.5	G153 D154 R223 Q224 M225	G153-S221 WeakPolarHBondContact O-CA 3.49Å; D154-S221 PolarHBondContact O-N 3.43Å; S221-R223 PolarHBondContact O-N 2.89Å; S221-Q224 WeakPolarHBondContact O-CA 3.46Å; S221-Q224 WeakPolarHBondContact O-CB 3.45Å; S221-Q224 PolarHBondContact O-N 3.13Å; S221-Q224 WeakPolarHBondContact OG-CG 3.26Å; S221-Q224 PolarHBondContact OG-N 3.36Å; S221-M225 PolarHBondContact O-N 3.38Å
222	E	98.5	Very high	98.8	Very high	94 Å²	94	33.7 Å²	33.7	44%	0.439	17%	0.167	S	C	.	.	H	α-helix	trans	-59.9	-29.4	172.6	-173.8	61.1	-166.9	0	0	111.7	T152 M225 G226 R229	T152-E222 WeakPolarHBondContact CG2-OE2 3.33Å; E222-M225 PolarHBondContact O-N 3.12Å; E222-G226 PolarHBondContact O-N 3.17Å; E222-R229 IonicContact OE1-CZ 3.67Å; E222-R229 IonicContact OE1-NH1 3.91Å; E222-R229 PolarHBondContact OE1-NH1 3.26Å; E222-R229 IonicContact OE1-NH2 2.77Å
223	R	98.6	Very high	98.7	Very high	114 Å²	114	35.4 Å²	35.4	43%	0.43	18%	0.175	S	C	.	.	H	α-helix	trans	-61	-45.9	171.3	-174.7	-171.7	73.5	79.8	0.4	111.4	E155 N160 S221 G226 K227	E155-R223 IonicContact OE2-CZ 3.49Å; E155-R223 IonicContact OE2-NE 2.74Å; E155-R223 PolarHBondContact OE2-NE 3.03Å; E155-R223 IonicContact OE2-NH2 3.68Å; E155-R223 PolarHBondContact OE2-NH2 2.91Å; N160-R223 PolarHBondContact OD1-NH2 3.37Å; S221-R223 PolarHBondContact O-N 2.89Å; R223-G226 PolarHBondContact O-N 2.93Å; R223-K227 PolarHBondContact O-N 2.92Å
224	Q	98.8	Very high	98.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-42.9	176.6	-73.2	173.1	-36.7	0	0	110.9	H156 N160 T163 I220 S221 G226 K227 F228	H156-Q224 PolarHBondContact O-NE2 3.24Å; N160-Q224 PolarHBondContact OD1-NE2 2.67Å; T163-Q224 HydrophobicContact CG2-CB 4.04Å; T163-Q224 HydrophobicContact CG2-CG 4.24Å; I220-Q224 HydrophobicContact CB-CB 4.39Å; I220-Q224 HydrophobicContact CD1-CB 4.44Å; S221-Q224 WeakPolarHBondContact O-CA 3.46Å; S221-Q224 WeakPolarHBondContact O-CB 3.45Å; S221-Q224 PolarHBondContact O-N 3.13Å; S221-Q224 WeakPolarHBondContact OG-CG 3.26Å; S221-Q224 PolarHBondContact OG-N 3.36Å; Q224-G226 VanDerWaalsContact C-N 3.31Å; Q224-G226 PolarHBondContact O-N 2.89Å; Q224-K227 WeakPolarHBondContact O-CB 3.18Å; Q224-K227 PolarHBondContact O-N 3.39Å; Q224-K227 VanDerWaalsContact O-N 3.07Å; Q224-F228 WeakPolarHBondContact O-CD2 3.18Å; Q224-F228 PolarHBondContact O-N 2.93Å
225	M	98.8	Very high	98.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-39.3	172.6	-82.3	-45.5	-55.2	0	0	113.1	W99 T152 I220 S221 E222 K227 F228 R229	W99-M225 HydrophobicContact CB-CE 3.74Å; W99-M225 HydrophobicContact CG-CE 4.3Å; T152-M225 HydrophobicContact CG2-CG 3.96Å; I220-M225 HydrophobicContact CD1-CG 3.58Å; I220-M225 HydrophobicContact CD1-SD 3.16Å; I220-M225 WeakPolarHBondContact CD1-SD 3.32Å; I220-M225 HydrophobicContact CG1-CG 4.12Å; I220-M225 HydrophobicContact CG1-SD 4.19Å; S221-M225 PolarHBondContact O-N 3.38Å; E222-M225 PolarHBondContact O-N 3.12Å; M225-K227 PolarHBondContact O-N 3.24Å; M225-F228 HydrophobicContact CE-CB 4.3Å; M225-F228 PolarHBondContact O-N 2.62Å; M225-F228 VanDerWaalsContact O-N 3.15Å; M225-F228 HydrophobicContact SD-CD2 4.31Å; M225-R229 WeakPolarHBondContact O-CG 3.22Å; M225-R229 PolarHBondContact O-N 2.92Å; M225-R229 VanDerWaalsContact O-N 3.13Å
226	G	98.8	Very high	98.6	Very high	33 Å²	33	38.2 Å²	38.2	34%	0.34	20%	0.198	S	C	.	.	H	α-helix	trans	-58	-30.7	174.6	0	0	0	0	0	113.3	E222 R223 Q224 R229 S230	E222-G226 PolarHBondContact O-N 3.17Å; R223-G226 PolarHBondContact O-N 2.93Å; Q224-G226 VanDerWaalsContact C-N 3.31Å; Q224-G226 PolarHBondContact O-N 2.89Å; G226-R229 PolarHBondContact O-N 2.75Å; G226-S230 PolarHBondContact O-N 2.06Å; G226-S230 VanDerWaalsContact O-N 3.16Å
227	K	98.8	Very high	98.5	Very high	84 Å²	84	41.8 Å²	41.8	37%	0.365	22%	0.22	S	C	.	.	H	α-helix	trans	-69.2	-40.8	175.8	-63.3	-70.5	-173.5	173.3	0	112.1	T163 L166 R223 Q224 M225 S230	T163-K227 HydrophobicContact CG2-CB 4.21Å; L166-K227 HydrophobicContact CD1-CB 3.99Å; R223-K227 PolarHBondContact O-N 2.92Å; Q224-K227 WeakPolarHBondContact O-CB 3.18Å; Q224-K227 PolarHBondContact O-N 3.39Å; Q224-K227 VanDerWaalsContact O-N 3.07Å; M225-K227 PolarHBondContact O-N 3.24Å; K227-S230 WeakPolarHBondContact O-CB 3.2Å; K227-S230 PolarHBondContact O-N 2.71Å; K227-S230 PolarHBondContact O-OG 3.47Å
228	F	98.9	Very high	98.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-48	171.6	-74.8	-85.2	0	0	0	111.7	V68 F97 W99 M159 L162 T163 L166 Q224 M225 S230 L231	V68-F228 HydrophobicContact CG1-CD1 4.11Å; V68-F228 HydrophobicContact CG1-CE1 3.81Å; F97-F228 HydrophobicContact CB-CE1 4.2Å; F97-F228 HydrophobicContact CD1-CE1 4.28Å; F97-F228 HydrophobicContact CD1-CZ 4.23Å; F97-F228 AromaticContact CD2-CE1 3.64Å; F97-F228 HydrophobicContact CD2-CE1 3.64Å; F97-F228 HydrophobicContact CD2-CZ 4.12Å; F97-F228 HydrophobicContact CE1-CZ 4.18Å; F97-F228 AromaticContact CE2-CE1 3.98Å; F97-F228 HydrophobicContact CE2-CE1 3.98Å; F97-F228 HydrophobicContact CE2-CZ 4.07Å; F97-F228 AromaticContact CG-CE1 3.8Å; F97-F228 HydrophobicContact CG-CE1 3.8Å; F97-F228 HydrophobicContact CG-CZ 4.2Å; F97-F228 HydrophobicContact CZ-CE1 4.44Å; F97-F228 HydrophobicContact CZ-CZ 4.1Å; W99-F228 HydrophobicContact CD2-CB 4.04Å; W99-F228 HydrophobicContact CD2-CD1 4.33Å; W99-F228 HydrophobicContact CE3-CD1 4.01Å; W99-F228 HydrophobicContact CG-CB 4.25Å; W99-F228 HydrophobicContact CH2-CD1 4.25Å; W99-F228 HydrophobicContact CZ2-CB 4.37Å; W99-F228 AromaticContact CZ3-CD1 3.98Å; W99-F228 HydrophobicContact CZ3-CD1 3.98Å; M159-F228 HydrophobicContact SD-CE2 4.25Å; M159-F228 HydrophobicContact SD-CZ 4.14Å; L162-F228 HydrophobicContact CD2-CE1 4Å; L162-F228 HydrophobicContact CD2-CE2 4.39Å; L162-F228 HydrophobicContact CD2-CZ 3.57Å; T163-F228 HydrophobicContact CG2-CD2 4.35Å; T163-F228 HydrophobicContact CG2-CE2 3.86Å; L166-F228 HydrophobicContact CD1-CD1 4.09Å; L166-F228 HydrophobicContact CD1-CD2 4.34Å; L166-F228 HydrophobicContact CD1-CE1 4.31Å; L166-F228 HydrophobicContact CD1-CG 4.11Å; Q224-F228 WeakPolarHBondContact O-CD2 3.18Å; Q224-F228 PolarHBondContact O-N 2.93Å; M225-F228 HydrophobicContact CE-CB 4.3Å; M225-F228 PolarHBondContact O-N 2.62Å; M225-F228 VanDerWaalsContact O-N 3.15Å; M225-F228 HydrophobicContact SD-CD2 4.31Å; F228-S230 PolarHBondContact O-N 2.95Å; F228-L231 WeakPolarHBondContact O-CB 3.34Å; F228-L231 WeakPolarHBondContact O-CG 3.38Å; F228-L231 PolarHBondContact O-N 3.03Å; F228-L231 VanDerWaalsContact O-N 3.07Å
229	R	98.8	Very high	98.3	Very high	39 Å²	39	52.7 Å²	52.7	15%	0.147	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-13.5	179.4	-61	177.5	-172.1	142.6	4.6	113.6	G100 K101 E222 M225 G226 H242 V244	G100-R229 PolarHBondContact O-NE 3.17Å; G100-R229 VanDerWaalsContact O-NE 3.07Å; K101-R229 PolarHBondContact O-NE 3.01Å; E222-R229 IonicContact OE1-CZ 3.67Å; E222-R229 IonicContact OE1-NH1 3.91Å; E222-R229 PolarHBondContact OE1-NH1 3.26Å; E222-R229 IonicContact OE1-NH2 2.77Å; M225-R229 WeakPolarHBondContact O-CG 3.22Å; M225-R229 PolarHBondContact O-N 2.92Å; M225-R229 VanDerWaalsContact O-N 3.13Å; G226-R229 PolarHBondContact O-N 2.75Å; R229-H242 PolarHBondContact O-ND1 3.31Å; R229-V244 HydrophobicContact CB-CG1 3.97Å; R229-V244 HydrophobicContact CG-CG1 4.03Å
230	S	98.6	Very high	98.3	Very high	51 Å²	51	59.4 Å²	59.4	36%	0.357	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-13.8	176.3	78.9	0	0	0	0	114.2	G226 K227 F228	G226-S230 PolarHBondContact O-N 2.06Å; G226-S230 VanDerWaalsContact O-N 3.16Å; K227-S230 WeakPolarHBondContact O-CB 3.2Å; K227-S230 PolarHBondContact O-N 2.71Å; K227-S230 PolarHBondContact O-OG 3.47Å; F228-S230 PolarHBondContact O-N 2.95Å
231	L	98.9	Very high	98.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.315	C	S	.	.			trans	-64	159.6	174	-65.7	174.2	0	0	0	111.2	V68 W99 L166 F228 H242 M243	V68-L231 HydrophobicContact CB-CD1 3.84Å; V68-L231 HydrophobicContact CG1-CD1 4Å; W99-L231 HydrophobicContact CH2-CD1 3.72Å; W99-L231 HydrophobicContact CZ2-CB 4.42Å; W99-L231 HydrophobicContact CZ2-CD1 3.83Å; L166-L231 HydrophobicContact CB-CD2 4.02Å; L166-L231 HydrophobicContact CD2-CD1 4.23Å; L166-L231 HydrophobicContact CD2-CD2 4.4Å; L166-L231 WeakPolarHBondContact O-CD2 3.42Å; F228-L231 WeakPolarHBondContact O-CB 3.34Å; F228-L231 WeakPolarHBondContact O-CG 3.38Å; F228-L231 PolarHBondContact O-N 3.03Å; F228-L231 VanDerWaalsContact O-N 3.07Å; L231-H242 CarbonylContact O-C 3.33Å; L231-H242 WeakPolarHBondContact O-CA 3.5Å; L231-H242 PolarHBondContact O-ND1 3.4Å; L231-M243 HydrophobicContact CB-CB 3.97Å; L231-M243 HydrophobicContact CB-SD 4.37Å; L231-M243 HydrophobicContact CD1-SD 4.4Å; L231-M243 PolarHBondContact O-N 3.08Å
232	L	98.8	Very high	98.3	Very high	7 Å²	7	68.3 Å²	68.3	4%	0.037	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-121.1	138.5	-178.5	-58.2	169.3	0	0	0	110.7	N63 R170 F171 R240 I241	N63-L232 PolarHBondContact ND2-O 2.81Å; R170-L232 WeakPolarHBondContact O-CB 3.19Å; R170-L232 PolarHBondContact O-N 3.41Å; F171-L232 HydrophobicContact CD1-CD1 3.45Å; F171-L232 VanDerWaalsContact CD1-CD1 3.45Å; F171-L232 HydrophobicContact CE1-CD1 3.36Å; F171-L232 HydrophobicContact CZ-CD1 4.42Å; L232-R240 HydrophobicContact CD1-CG 4.17Å; L232-R240 HydrophobicContact CD2-CB 4.04Å; L232-I241 CarbonylContact C-O 3.33Å; L232-I241 VanDerWaalsContact CA-O 3.28Å; L232-I241 WeakPolarHBondContact CA-O 3.22Å
233	F	98.5	Very high	98.3	Very high	35 Å²	35	63.8 Å²	63.8	15%	0.154	31%	0.312	C	S	.	.	S	Bend	trans	-70.1	-21.5	166.7	-77.1	-53.1	0	0	0	112	Y9 G65 K172 I241 H242 M243 N246	Y9-F233 AromaticContact CD2-CE1 3.93Å; Y9-F233 HydrophobicContact CD2-CE1 3.93Å; Y9-F233 AromaticContact CD2-CZ 3.89Å; Y9-F233 HydrophobicContact CD2-CZ 3.89Å; Y9-F233 HydrophobicContact CG-CZ 4.36Å; G65-F233 VanDerWaalsContact O-CD1 3.23Å; G65-F233 WeakPolarHBondContact O-CD1 3.28Å; K172-F233 WeakPolarHBondContact CB-O 3.07Å; K172-F233 WeakPolarHBondContact CD-O 3.09Å; F233-I241 HydrophobicContact CD2-CG2 4.07Å; F233-I241 PolarHBondContact N-O 2.8Å; F233-H242 VanDerWaalsContact CD2-O 3.29Å; F233-H242 WeakPolarHBondContact CD2-O 2.98Å; F233-M243 HydrophobicContact CD1-CB 4.04Å; F233-M243 HydrophobicContact CD1-CE 3.85Å; F233-M243 HydrophobicContact CD1-CG 3.76Å; F233-M243 HydrophobicContact CD2-CB 4.38Å; F233-M243 HydrophobicContact CE1-CB 4.19Å; F233-M243 HydrophobicContact CE1-CE 4.3Å; F233-M243 HydrophobicContact CE1-CG 3.54Å; F233-M243 HydrophobicContact CE2-CB 4.49Å; F233-M243 HydrophobicContact CE2-CG 4.5Å; F233-M243 HydrophobicContact CG-CB 4.15Å; F233-M243 HydrophobicContact CG-CG 4.36Å; F233-M243 HydrophobicContact CZ-CB 4.41Å; F233-M243 HydrophobicContact CZ-CG 3.94Å; F233-N246 HydrophobicContact CE1-CB 3.99Å; F233-N246 HydrophobicContact CZ-CB 3.74Å
234	T	98.3	Very high	98.3	Very high	20 Å²	20	59.6 Å²	59.6	12%	0.123	30%	0.299	C	S	.	.	S	Bend	trans	-101.1	159.6	-172.8	49.7	0	0	0	0	112.6	K172 D238 E239 I241	K172-T234 PolarHBondContact N-O 3.07Å; T234-D238 HydrophobicContact CG2-CB 4.32Å; T234-E239 VanDerWaalsContact CB-O 3.26Å; T234-E239 WeakPolarHBondContact CB-O 3.2Å; T234-E239 VanDerWaalsContact CG2-O 3.31Å; T234-E239 WeakPolarHBondContact CG2-O 3.34Å; T234-E239 PolarHBondContact OG1-O 3.02Å; T234-I241 HydrophobicContact CG2-CB 3.9Å; T234-I241 HydrophobicContact CG2-CD1 3.87Å; T234-I241 HydrophobicContact CG2-CG1 3.86Å; T234-I241 PolarHBondContact OG1-N 3.11Å
235	S	97.9	Very high	98.3	Very high	37 Å²	37	62.7 Å²	62.7	26%	0.259	32%	0.316	S	S	.	.			trans	-78.1	179.8	178.6	75.9	0	0	0	0	111.4	D237 D238	S235-D237 PolarHBondContact O-N 2.89Å; S235-D238 WeakPolarHBondContact CB-OD2 3.36Å; S235-D238 PolarHBondContact N-OD2 2.87Å; S235-D238 PolarHBondContact O-N 3.46Å; S235-D238 PolarHBondContact OG-OD2 3.17Å
236	E	96.4	Very high	98.3	Very high	121 Å²	121	62.7 Å²	62.7	57%	0.565	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-35.8	-173.9	-176.6	158.4	-133	0	0	113.5	R170 F171	R170-E236 IonicContact NH2-OE1 3.97Å; F171-E236 HydrophobicContact CD1-CB 4.25Å; F171-E236 HydrophobicContact CD2-CB 3.84Å; F171-E236 HydrophobicContact CD2-CG 4.03Å; F171-E236 HydrophobicContact CE1-CB 4.39Å; F171-E236 HydrophobicContact CE1-CG 4.48Å; F171-E236 HydrophobicContact CE2-CB 3.95Å; F171-E236 HydrophobicContact CE2-CG 3.64Å; F171-E236 WeakPolarHBondContact CE2-OE1 3.45Å; F171-E236 HydrophobicContact CG-CB 3.99Å; F171-E236 HydrophobicContact CZ-CB 4.24Å; F171-E236 HydrophobicContact CZ-CG 3.91Å
237	D	97.2	Very high	98.3	Very high	156 Å²	156	63.2 Å²	63.2	83%	0.834	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-2.5	-176.5	-59.1	-52	0	0	0	113.5	S235	S235-D237 PolarHBondContact O-N 2.89Å
238	D	96.7	Very high	98.3	Very high	89 Å²	89	59.4 Å²	59.4	48%	0.476	29%	0.292	S	S	.	.	S	Bend	trans	-93.5	159.3	-179	-69.5	-39.8	0	0	0	112.1	T234 S235 R240	T234-D238 HydrophobicContact CG2-CB 4.32Å; S235-D238 WeakPolarHBondContact CB-OD2 3.36Å; S235-D238 PolarHBondContact N-OD2 2.87Å; S235-D238 PolarHBondContact O-N 3.46Å; S235-D238 PolarHBondContact OG-OD2 3.17Å; D238-R240 PolarHBondContact O-N 3.41Å
239	E	97.3	Very high	98.3	Very high	172 Å²	172	62.3 Å²	62.3	80%	0.804	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-54.2	136.4	167.2	-79.1	-66.3	164.4	0	0	111.1	T234 I241	T234-E239 VanDerWaalsContact CB-O 3.26Å; T234-E239 WeakPolarHBondContact CB-O 3.2Å; T234-E239 VanDerWaalsContact CG2-O 3.31Å; T234-E239 WeakPolarHBondContact CG2-O 3.34Å; T234-E239 PolarHBondContact OG1-O 3.02Å; E239-I241 PolarHBondContact O-N 2.87Å
240	R	98.1	Very high	98.3	Very high	182 Å²	182	63.3 Å²	63.3	69%	0.687	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-76.6	116.8	-170.8	-66.1	-174.1	-175.8	177.5	3.8	111.1	L232 D238	L232-R240 HydrophobicContact CD1-CG 4.17Å; L232-R240 HydrophobicContact CD2-CB 4.04Å; D238-R240 PolarHBondContact O-N 3.41Å
241	I	98.4	Very high	98.3	Very high	99 Å²	99	63 Å²	63	51%	0.508	32%	0.315	S	S	.	.			trans	-118.6	114.6	171.2	-55.6	176.5	0	0	0	108	L232 F233 T234 E239 M243	L232-I241 CarbonylContact C-O 3.33Å; L232-I241 VanDerWaalsContact CA-O 3.28Å; L232-I241 WeakPolarHBondContact CA-O 3.22Å; F233-I241 HydrophobicContact CD2-CG2 4.07Å; F233-I241 PolarHBondContact N-O 2.8Å; T234-I241 HydrophobicContact CG2-CB 3.9Å; T234-I241 HydrophobicContact CG2-CD1 3.87Å; T234-I241 HydrophobicContact CG2-CG1 3.86Å; T234-I241 PolarHBondContact OG1-N 3.11Å; E239-I241 PolarHBondContact O-N 2.87Å; I241-M243 PolarHBondContact O-N 3.19Å
242	H	98.7	Very high	98.3	Very high	101 Å²	101	66.9 Å²	66.9	47%	0.468	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-63.2	134.6	178.3	-77.8	-73.1	0	0	0	112	R229 L231 F233 V244	R229-H242 PolarHBondContact O-ND1 3.31Å; L231-H242 CarbonylContact O-C 3.33Å; L231-H242 WeakPolarHBondContact O-CA 3.5Å; L231-H242 PolarHBondContact O-ND1 3.4Å; F233-H242 VanDerWaalsContact CD2-O 3.29Å; F233-H242 WeakPolarHBondContact CD2-O 2.98Å; H242-V244 PolarHBondContact O-N 2.84Å
243	M	98.8	Very high	98.3	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.353	C	S	.	.			trans	-73.8	93.4	172	-174.5	177.7	-67.4	0	0	108.2	N63 S67 W99 L231 F233 I241 N246	N63-M243 WeakPolarHBondContact OD1-CE 3.34Å; S67-M243 WeakPolarHBondContact CA-SD 3.49Å; W99-M243 HydrophobicContact CH2-CG 3.89Å; W99-M243 HydrophobicContact CH2-SD 3.36Å; W99-M243 WeakPolarHBondContact CH2-SD 3.47Å; W99-M243 HydrophobicContact CZ2-CB 4Å; W99-M243 HydrophobicContact CZ2-CG 3.42Å; W99-M243 VanDerWaalsContact CZ2-CG 3.42Å; W99-M243 HydrophobicContact CZ2-SD 3.51Å; W99-M243 VanDerWaalsContact CZ2-SD 3.51Å; W99-M243 HydrophobicContact CZ3-SD 4.5Å; W99-M243 PolarHBondContact NE1-O 3.44Å; L231-M243 HydrophobicContact CB-CB 3.97Å; L231-M243 HydrophobicContact CB-SD 4.37Å; L231-M243 HydrophobicContact CD1-SD 4.4Å; L231-M243 PolarHBondContact O-N 3.08Å; F233-M243 HydrophobicContact CD1-CB 4.04Å; F233-M243 HydrophobicContact CD1-CE 3.85Å; F233-M243 HydrophobicContact CD1-CG 3.76Å; F233-M243 HydrophobicContact CD2-CB 4.38Å; F233-M243 HydrophobicContact CE1-CB 4.19Å; F233-M243 HydrophobicContact CE1-CE 4.3Å; F233-M243 HydrophobicContact CE1-CG 3.54Å; F233-M243 HydrophobicContact CE2-CB 4.49Å; F233-M243 HydrophobicContact CE2-CG 4.5Å; F233-M243 HydrophobicContact CG-CB 4.15Å; F233-M243 HydrophobicContact CG-CG 4.36Å; F233-M243 HydrophobicContact CZ-CB 4.41Å; F233-M243 HydrophobicContact CZ-CG 3.94Å; I241-M243 PolarHBondContact O-N 3.19Å; M243-N246 HydrophobicContact CG-CB 4.45Å
244	V	98.8	Very high	98.3	Very high	25 Å²	25	72.5 Å²	72.5	15%	0.152	37%	0.367	C	S	.	.			trans	-144.7	155.3	175.2	-67.8	0	0	0	0	108.9	K101 R229 H242 N246	K101-V244 HydrophobicContact CB-CB 3.95Å; K101-V244 HydrophobicContact CB-CG1 4.37Å; K101-V244 HydrophobicContact CB-CG2 4.01Å; K101-V244 HydrophobicContact CD-CG2 4.33Å; K101-V244 HydrophobicContact CG-CG2 4.3Å; R229-V244 HydrophobicContact CB-CG1 3.97Å; R229-V244 HydrophobicContact CG-CG1 4.03Å; H242-V244 PolarHBondContact O-N 2.84Å; V244-N246 PolarHBondContact O-N 2.97Å
245	N	98.8	Very high	98.3	Very high	66 Å²	66	75 Å²	75	35%	0.353	40%	0.397	S	S	.	.			trans	56.7	36.9	-174.3	-55.2	-22	0	0	0	112.1	W99 G100 K101 F247	W99-N245 WeakPolarHBondContact O-CA 3.46Å; W99-N245 PolarHBondContact O-N 2.95Å; G100-N245 WeakPolarHBondContact CA-OD1 3.36Å; K101-N245 PolarHBondContact N-OD1 2.79Å; N245-F247 HydrophobicContact CB-CD1 4.35Å; N245-F247 HydrophobicContact CB-CE1 3.88Å; N245-F247 PolarHBondContact O-N 2.94Å
246	N	98.8	Very high	98.3	Very high	0 Å²	0	74.6 Å²	74.6	0%	0	39%	0.39	C	S	.	.			trans	-82	42.7	178.6	66.9	-40.2	0	0	0	111.4	Y9 H66 F97 H98 W99 F233 M243 V244	Y9-N246 HydrophobicContact CD2-CB 3.88Å; Y9-N246 HydrophobicContact CE2-CB 3.83Å; Y9-N246 HydrophobicContact CG-CB 4.36Å; Y9-N246 VanDerWaalsContact CZ-C 3.47Å; Y9-N246 VanDerWaalsContact CZ-O 3.28Å; Y9-N246 PolarHBondContact OH-O 3.45Å; H66-N246 PolarHBondContact O-ND2 3.49Å; F97-N246 PolarHBondContact O-ND2 3.06Å; H98-N246 PolarHBondContact ND1-O 3.41Å; W99-N246 WeakPolarHBondContact CZ3-ND2 3.43Å; W99-N246 PolarHBondContact N-OD1 2.88Å; W99-N246 PolarHBondContact O-N 3.19Å; W99-N246 PolarHBondContact O-OD1 2.89Å; W99-N246 VanDerWaalsContact O-OD1 3.08Å; F233-N246 HydrophobicContact CE1-CB 3.99Å; F233-N246 HydrophobicContact CZ-CB 3.74Å; M243-N246 HydrophobicContact CG-CB 4.45Å; V244-N246 PolarHBondContact O-N 2.97Å
247	F	98.9	Very high	98.4	Very high	43 Å²	43	72.7 Å²	72.7	19%	0.189	39%	0.386	C	S	.	.			trans	-124.7	148.6	-177.1	61.4	-95.1	0	0	0	111.7	H98 V105 E108 N245	H98-F247 HydrophobicContact CB-CB 4.17Å; V105-F247 HydrophobicContact CB-CE1 4.28Å; V105-F247 HydrophobicContact CB-CZ 4.04Å; V105-F247 HydrophobicContact CG2-CE1 4.48Å; E108-F247 HydrophobicContact CG-CB 3.87Å; N245-F247 HydrophobicContact CB-CD1 4.35Å; N245-F247 HydrophobicContact CB-CE1 3.88Å; N245-F247 PolarHBondContact O-N 2.94Å
248	R	98.9	Very high	98.5	Very high	4 Å²	4	65.8 Å²	65.8	2%	0.015	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-87.4	136.2	170.4	-165.2	-169.1	-174.6	-173.3	4.6	109.5	P15 W18 A25 S31 P32 E108	P15-R248 HydrophobicContact CB-CG 4.14Å; P15-R248 HydrophobicContact CG-CG 4.48Å; W18-R248 HydrophobicContact CE3-CG 4.47Å; W18-R248 HydrophobicContact CH2-CB 4.32Å; W18-R248 HydrophobicContact CH2-CG 4.41Å; W18-R248 HydrophobicContact CZ3-CB 4.08Å; W18-R248 HydrophobicContact CZ3-CG 3.76Å; A25-R248 PolarHBondContact O-NH2 2.98Å; A25-R248 VanDerWaalsContact O-NH2 3.07Å; S31-R248 WeakPolarHBondContact O-CD 2.84Å; S31-R248 PolarHBondContact O-NH1 3.04Å; P32-R248 VanDerWaalsContact CG-O 3.29Å; P32-R248 WeakPolarHBondContact CG-O 3.23Å; E108-R248 WeakPolarHBondContact OE1-CB 3.48Å; E108-R248 PolarHBondContact OE1-N 2.82Å
249	P	98.8	Very high	98.6	Very high	62 Å²	62	66 Å²	66	40%	0.403	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-64.4	159.2	174.6	-22.8	33.7	0	0	0	113.3	Q251	P249-Q251 PolarHBondContact O-N 2.92Å; P249-Q251 PolarHBondContact O-NE2 2.67Å
250	P	98.9	Very high	98.7	Very high	60 Å²	60	58 Å²	58	39%	0.39	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-50.4	134.4	169.7	-29.7	37.1	0	0	0	113.4	T110	T110-P250 HydrophobicContact CG2-CG 4.2Å
251	Q	98.9	Very high	98.7	Very high	43 Å²	43	50.5 Å²	50.5	20%	0.201	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-102.1	159.7	179.5	-57.3	-60.1	-64.3	0	0	111.1	Q30 P32 P249 L253	Q30-Q251 HydrophobicContact CB-CB 3.92Å; Q30-Q251 HydrophobicContact CB-CG 4Å; P32-Q251 WeakPolarHBondContact O-CB 3.35Å; P32-Q251 PolarHBondContact O-N 2.75Å; P249-Q251 PolarHBondContact O-N 2.92Å; P249-Q251 PolarHBondContact O-NE2 2.67Å; Q251-L253 PolarHBondContact O-N 3.26Å
252	P	98.8	Very high	98.7	Very high	83 Å²	83	46.4 Å²	46.4	54%	0.539	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-58.3	133.4	-179.3	-27	36.8	0	0	0	113.4	K254 R256	P252-K254 VanDerWaalsContact C-N 3.31Å; P252-K254 HydrophobicContact CB-CG 4.04Å; P252-K254 PolarHBondContact O-N 2.58Å; P252-R256 PolarHBondContact O-NH2 3.45Å
253	L	98.7	Very high	98.5	Very high	58 Å²	58	50.9 Å²	50.9	30%	0.304	28%	0.277	S	S	.	.			trans	-66.3	-31.2	-179.6	-173.7	63.7	0	0	0	113	I33 Q251 G255 R256 V258	I33-L253 HydrophobicContact CD1-CD1 3.79Å; Q251-L253 PolarHBondContact O-N 3.26Å; L253-G255 VanDerWaalsContact C-N 3.27Å; L253-G255 PolarHBondContact O-N 3.49Å; L253-R256 HydrophobicContact CD1-CB 4.02Å; L253-R256 HydrophobicContact CG-CB 4.43Å; L253-R256 WeakPolarHBondContact CG-O 3.25Å; L253-R256 WeakPolarHBondContact O-CB 3.27Å; L253-R256 WeakPolarHBondContact O-CG 3.47Å; L253-R256 PolarHBondContact O-N 3.48Å; L253-R256 VanDerWaalsContact O-N 3.11Å; L253-R256 PolarHBondContact O-NE 3.47Å; L253-V258 HydrophobicContact CD1-CG2 4.23Å
254	K	98.3	Very high	97.4	Very high	101 Å²	101	57 Å²	57	44%	0.439	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	42.9	177.2	-70.1	-178.9	167.5	-172.8	0	114.3	Q26 G27 D28 P252 R256	Q26-K254 PolarHBondContact O-NZ 3.23Å; G27-K254 VanDerWaalsContact C-NZ 3.35Å; G27-K254 PolarHBondContact O-NZ 3.37Å; D28-K254 HydrophobicContact CB-CD 4.2Å; D28-K254 WeakPolarHBondContact OD1-CD 3.31Å; D28-K254 IonicContact OD1-NZ 2.72Å; D28-K254 PolarHBondContact OD1-NZ 3.42Å; P252-K254 VanDerWaalsContact C-N 3.31Å; P252-K254 HydrophobicContact CB-CG 4.04Å; P252-K254 PolarHBondContact O-N 2.58Å; K254-R256 PolarHBondContact O-N 2.92Å
255	G	97.9	Very high	97.3	Very high	74 Å²	74	58.6 Å²	58.6	76%	0.763	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	3.8	176.3	0	0	0	0	0	115.3	L253	L253-G255 VanDerWaalsContact C-N 3.27Å; L253-G255 PolarHBondContact O-N 3.49Å
256	R	98.7	Very high	97.3	Very high	27 Å²	27	58.2 Å²	58.2	10%	0.102	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-62	143.7	172.3	-68.6	174.6	-73.6	169.3	-5.8	110.7	R29 Q30 P197 P252 L253 K254	R29-R256 VanDerWaalsContact CA-CZ 3.5Å; R29-R256 PolarHBondContact O-NH1 3.38Å; Q30-R256 VanDerWaalsContact O-CZ 3.32Å; Q30-R256 PolarHBondContact O-NH1 2.87Å; Q30-R256 PolarHBondContact O-NH2 3.25Å; P197-R256 WeakPolarHBondContact O-CD 3.26Å; P197-R256 PolarHBondContact O-NH1 2.6Å; P197-R256 VanDerWaalsContact O-NH1 3.16Å; P252-R256 PolarHBondContact O-NH2 3.45Å; L253-R256 HydrophobicContact CD1-CB 4.02Å; L253-R256 HydrophobicContact CG-CB 4.43Å; L253-R256 WeakPolarHBondContact CG-O 3.25Å; L253-R256 WeakPolarHBondContact O-CB 3.27Å; L253-R256 WeakPolarHBondContact O-CG 3.47Å; L253-R256 PolarHBondContact O-N 3.48Å; L253-R256 VanDerWaalsContact O-N 3.11Å; L253-R256 PolarHBondContact O-NE 3.47Å; K254-R256 PolarHBondContact O-N 2.92Å
257	V	98.7	Very high	97.2	Very high	81 Å²	81	61.4 Å²	61.4	49%	0.491	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-93.7	125.5	176	178.9	0	0	0	0	109.3	V41 K259	V41-V257 HydrophobicContact CB-CG1 4.14Å; V41-V257 HydrophobicContact CG2-CG1 3.66Å; V257-K259 HydrophobicContact CG1-CG 4.49Å
258	V	98.9	Very high	97.1	Very high	12 Å²	12	62.5 Å²	62.5	7%	0.073	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-88	122.8	166.5	-176.5	0	0	0	0	108	I33 I35 A40 V41 W194 L253	I33-V258 HydrophobicContact CD1-CG2 3.61Å; I35-V258 HydrophobicContact CG2-CG1 4.33Å; A40-V258 CarbonylContact C-O 3.57Å; A40-V258 WeakPolarHBondContact CA-O 3.25Å; A40-V258 HydrophobicContact CB-CG1 4.35Å; V41-V258 PolarHBondContact N-O 3.44Å; W194-V258 HydrophobicContact CB-CG1 3.87Å; W194-V258 HydrophobicContact CG-CG1 4.17Å; L253-V258 HydrophobicContact CD1-CG2 4.23Å
259	K	98.9	Very high	97	Very high	93 Å²	93	66.1 Å²	66.1	40%	0.404	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	149.3	173.4	-63	179	-178.4	177.1	0	109.9	V41 S43 L46 W194 T195 V257	V41-K259 CarbonylContact O-C 3.58Å; V41-K259 WeakPolarHBondContact O-CA 3.15Å; S43-K259 WeakPolarHBondContact OG-CG 3.34Å; L46-K259 HydrophobicContact CD1-CB 4.28Å; W194-K259 CarbonylContact C-O 3.58Å; W194-K259 WeakPolarHBondContact CA-O 3.39Å; T195-K259 HydrophobicContact CG2-CB 3.84Å; T195-K259 PolarHBondContact N-O 2.92Å; T195-K259 PolarHBondContact O-N 3.27Å; V257-K259 HydrophobicContact CG1-CG 4.49Å
260	A	98.8	Very high	96.8	Very high	3 Å²	3	66.4 Å²	66.4	3%	0.025	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.5	172.1	0	0	0	0	0	110.8	A40 V41 Y42 S43 F262	A40-A260 HydrophobicContact CB-CB 3.96Å; V41-A260 PolarHBondContact O-N 2.93Å; Y42-A260 WeakPolarHBondContact CA-O 3.47Å; S43-A260 PolarHBondContact N-O 3.33Å; A260-F262 HydrophobicContact CB-CD1 4.28Å; A260-F262 HydrophobicContact CB-CE1 4.2Å; A260-F262 PolarHBondContact O-N 3.46Å
261	S	98.7	Very high	96.7	Very high	26 Å²	26	66.9 Å²	66.9	18%	0.182	38%	0.383	C	S	.	.	S	Bend	trans	-84	6.3	173	64.3	0	0	0	0	113.8	Y193	Y193-S261 WeakPolarHBondContact CD1-OG 3.47Å; Y193-S261 WeakPolarHBondContact CE1-OG 3.41Å; Y193-S261 PolarHBondContact N-OG 3.04Å; Y193-S261 PolarHBondContact O-N 3.43Å; Y193-S261 PolarHBondContact O-OG 3.04Å
262	F	98.4	Very high	96.5	Very high	12 Å²	12	68.7 Å²	68.7	5%	0.053	40%	0.397	C	S	.	.	S	Bend	trans	-141.2	162.5	-178.1	56.9	-78.1	0	0	0	111.4	Y42 H192 W194 R215 A260 A264	Y42-F262 WeakPolarHBondContact CD2-O 3.4Å; H192-F262 HydrophobicContact CB-CB 4.43Å; H192-F262 HydrophobicContact CB-CD1 3.65Å; H192-F262 HydrophobicContact CB-CE1 4.2Å; H192-F262 HydrophobicContact CB-CG 4.21Å; H192-F262 WeakPolarHBondContact ND1-CB 3.16Å; W194-F262 HydrophobicContact CD2-CE1 4.35Å; W194-F262 HydrophobicContact CD2-CZ 4.18Å; W194-F262 AromaticContact CE2-CZ 3.53Å; W194-F262 HydrophobicContact CH2-CZ 4.12Å; W194-F262 HydrophobicContact CZ2-CE1 4.45Å; W194-F262 HydrophobicContact CZ2-CE2 4.3Å; W194-F262 AromaticContact CZ2-CZ 3.52Å; W194-F262 HydrophobicContact CZ2-CZ 3.52Å; W194-F262 AromaticContact NE1-CZ 3.76Å; R215-F262 HydrophobicContact CB-CE1 3.96Å; R215-F262 HydrophobicContact CB-CZ 4.04Å; R215-F262 VanDerWaalsContact CD-CZ 3.44Å; R215-F262 HydrophobicContact CG-CE1 4.07Å; R215-F262 HydrophobicContact CG-CE2 4.17Å; R215-F262 HydrophobicContact CG-CZ 3.64Å; A260-F262 HydrophobicContact CB-CD1 4.28Å; A260-F262 HydrophobicContact CB-CE1 4.2Å; A260-F262 PolarHBondContact O-N 3.46Å; F262-A264 HydrophobicContact CE2-CB 4.34Å
263	R	94.8	Very high	96.3	Very high	195 Å²	195	67.5 Å²	67.5	74%	0.736	39%	0.386	S	S	*	.			trans	-91.3	132.6	165	-64.3	-177.8	177.3	-157.7	0.1	108.3	Y42	Y42-R263 HydrophobicContact CD1-CG 3.63Å; Y42-R263 HydrophobicContact CD2-CG 4.02Å; Y42-R263 HydrophobicContact CE1-CG 3.88Å; Y42-R263 HydrophobicContact CE2-CG 4.25Å; Y42-R263 HydrophobicContact CG-CG 3.68Å
264	A	75.3	Confident	96.1	Very high	128 Å²	128	68.4 Å²	68.4	100%	1.058	39%	0.393	S	S	*	.			trans	-92.3	0	170.1	0	0	0	0	0	109.8	F262	F262-A264 HydrophobicContact CE2-CB 4.34Å

Retrieved 264 of 264 residues in 66.1 ms (Link to these results)

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