A0A2K5P3E0_CERAT Loading...

Gamma-crystallin S

Crystallins are the dominant structural components of the vertebrate eye lens.

AlphaFold DB , UniProt , Accession A0A2K5P3E0, Species CERAT (Cercocebus atys, Sooty mangabey), Gene CRYGS, Length 178 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	76.4	Confident	247 Å²	247	78.4 Å²	78.4	100%	1.217	43%	0.432	S	S	*	.				0	122.8	0	-75.3	164	167.7	0	0	106.6	K3	M1-K3 PolarHBondContact O-N 2.88Å
2	S	37	Very low	78.3	Confident	102 Å²	102	74.5 Å²	74.5	71%	0.713	41%	0.409	S	S	*	.			trans	-60	131.3	-163.8	51.3	0	0	0	0	111.7	T4	S2-T4 VanDerWaalsContact C-N 3.28Å; S2-T4 PolarHBondContact O-N 2.77Å
3	K	45.4	Very low	79.8	Confident	210 Å²	210	72.9 Å²	72.9	91%	0.913	40%	0.399	S	S	*	.			trans	-58.6	97.4	158.3	-74.8	-179.5	175.1	-177.5	0	106.7	M1 G5	M1-K3 PolarHBondContact O-N 2.88Å; K3-G5 PolarHBondContact O-N 2.82Å; K3-G5 VanDerWaalsContact O-N 3.11Å
4	T	60.2	Low	81.1	Confident	104 Å²	104	73.7 Å²	73.7	64%	0.638	40%	0.397	S	S	*	.			trans	-58.3	112.9	161.5	25.4	0	0	0	0	105.9	S2	S2-T4 VanDerWaalsContact C-N 3.28Å; S2-T4 PolarHBondContact O-N 2.77Å
5	G	81.3	Confident	82.3	Confident	56 Å²	56	74.8 Å²	74.8	58%	0.577	40%	0.403	S	S	*	.			trans	-61.1	144.5	179	0	0	0	0	0	110.2	K3 K7	K3-G5 PolarHBondContact O-N 2.82Å; K3-G5 VanDerWaalsContact O-N 3.11Å; G5-K7 PolarHBondContact O-N 3.27Å
6	T	90.1	Very high	83.3	Confident	47 Å²	47	72.6 Å²	72.6	29%	0.288	39%	0.388	S	S	.	.			trans	-66.2	125.9	170.2	44.4	0	0	0	0	108.6	D24 G44 A85	T6-D24 WeakPolarHBondContact O-CA 3.31Å; T6-D24 PolarHBondContact OG1-O 3Å; T6-D24 VanDerWaalsContact OG1-O 3.07Å; T6-G44 WeakPolarHBondContact CA-O 3.41Å; T6-A85 HydrophobicContact CG2-CB 4.01Å
7	K	96.5	Very high	84.2	Confident	71 Å²	71	75.4 Å²	75.4	31%	0.309	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	131.8	176.1	-177.6	164.9	169.4	-139.7	0	111.6	G5 C23 E43 G44	G5-K7 PolarHBondContact O-N 3.27Å; K7-C23 WeakPolarHBondContact CA-O 3.44Å; K7-E43 HydrophobicContact CB-CB 4.24Å; K7-E43 WeakPolarHBondContact CD-OE2 3.4Å; K7-E43 WeakPolarHBondContact CE-OE2 3.44Å; K7-E43 HydrophobicContact CG-CB 4.39Å; K7-E43 IonicContact NZ-OE1 2.88Å; K7-E43 PolarHBondContact NZ-OE1 3.49Å; K7-E43 IonicContact NZ-OE2 3.67Å; K7-E43 PolarHBondContact NZ-OE2 2.94Å; K7-E43 PolarHBondContact O-N 3.44Å; K7-G44 PolarHBondContact N-O 2.86Å; K7-G44 PolarHBondContact O-N 2.75Å
8	I	98.4	Very high	84.9	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.5	177.3	-174.7	165.8	0	0	0	109.6	F10 C23 I40 K41 V42 W47 V49	I8-F10 HydrophobicContact CB-CE2 4.43Å; I8-F10 HydrophobicContact CD1-CE1 3.86Å; I8-F10 HydrophobicContact CD1-CE2 4.11Å; I8-F10 HydrophobicContact CD1-CZ 3.5Å; I8-F10 VanDerWaalsContact CD1-CZ 3.5Å; I8-F10 HydrophobicContact CG1-CD2 4.48Å; I8-F10 HydrophobicContact CG1-CE1 4.33Å; I8-F10 HydrophobicContact CG1-CE2 3.95Å; I8-F10 HydrophobicContact CG1-CZ 3.86Å; I8-F10 HydrophobicContact CG2-CE2 3.67Å; I8-F10 HydrophobicContact CG2-CZ 4.03Å; I8-C23 HydrophobicContact CG2-CB 3.83Å; I8-C23 PolarHBondContact N-O 2.84Å; I8-C23 PolarHBondContact O-N 3.08Å; I8-I40 HydrophobicContact CD1-CG2 3.76Å; I8-I40 HydrophobicContact CG1-CG2 3.68Å; I8-K41 CarbonylContact C-O 3.58Å; I8-K41 WeakPolarHBondContact CA-O 3.46Å; I8-V42 HydrophobicContact CD1-CG2 3.94Å; I8-V42 HydrophobicContact CG1-CG2 4.07Å; I8-W47 HydrophobicContact CB-CD2 3.9Å; I8-W47 HydrophobicContact CB-CE3 4.48Å; I8-W47 HydrophobicContact CB-CG 4.06Å; I8-W47 HydrophobicContact CB-CZ2 4.24Å; I8-W47 HydrophobicContact CD1-CB 3.82Å; I8-W47 HydrophobicContact CD1-CD2 4.26Å; I8-W47 HydrophobicContact CD1-CG 3.88Å; I8-W47 HydrophobicContact CG2-CD2 3.55Å; I8-W47 HydrophobicContact CG2-CE3 3.66Å; I8-W47 HydrophobicContact CG2-CG 4.2Å; I8-W47 HydrophobicContact CG2-CH2 3.74Å; I8-W47 HydrophobicContact CG2-CZ2 3.64Å; I8-W47 HydrophobicContact CG2-CZ3 3.76Å; I8-V49 HydrophobicContact CD1-CG1 3.94Å
9	T	98.5	Very high	85.6	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128	173.3	-59.6	0	0	0	0	109.7	Y11 R20 Y21 D22 I40 K41	T9-Y11 HydrophobicContact CG2-CD2 3.98Å; T9-Y11 HydrophobicContact CG2-CE1 4.19Å; T9-Y11 HydrophobicContact CG2-CE2 3.32Å; T9-Y11 VanDerWaalsContact CG2-CZ 3.43Å; T9-R20 HydrophobicContact CG2-CB 4.02Å; T9-Y21 WeakPolarHBondContact CA-O 3.4Å; T9-D22 WeakPolarHBondContact CB-OD1 3.36Å; T9-D22 WeakPolarHBondContact CG2-OD1 3.15Å; T9-D22 PolarHBondContact OG1-OD1 3.21Å; T9-I40 CarbonylContact O-C 3.46Å; T9-I40 VanDerWaalsContact O-CA 3.3Å; T9-I40 WeakPolarHBondContact O-CA 3.36Å; T9-K41 PolarHBondContact N-O 3.05Å; T9-K41 PolarHBondContact O-N 2.84Å
10	F	98.6	Very high	86.2	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	142.5	175.1	-56.6	-91.4	0	0	0	109.9	I8 R20 Y21 C23 F30 L34 I40 V49 L80 C83	I8-F10 HydrophobicContact CB-CE2 4.43Å; I8-F10 HydrophobicContact CD1-CE1 3.86Å; I8-F10 HydrophobicContact CD1-CE2 4.11Å; I8-F10 HydrophobicContact CD1-CZ 3.5Å; I8-F10 VanDerWaalsContact CD1-CZ 3.5Å; I8-F10 HydrophobicContact CG1-CD2 4.48Å; I8-F10 HydrophobicContact CG1-CE1 4.33Å; I8-F10 HydrophobicContact CG1-CE2 3.95Å; I8-F10 HydrophobicContact CG1-CZ 3.86Å; I8-F10 HydrophobicContact CG2-CE2 3.67Å; I8-F10 HydrophobicContact CG2-CZ 4.03Å; F10-R20 CarbonylContact O-C 3.57Å; F10-R20 WeakPolarHBondContact O-CA 3.28Å; F10-R20 WeakPolarHBondContact O-CB 3.39Å; F10-Y21 AromaticContact CD2-CD1 3.99Å; F10-Y21 HydrophobicContact CD2-CD1 3.99Å; F10-Y21 PolarHBondContact N-O 2.99Å; F10-Y21 PolarHBondContact O-N 2.76Å; F10-C23 HydrophobicContact CE2-CB 4.31Å; F10-F30 HydrophobicContact CD1-CZ 4.27Å; F10-F30 HydrophobicContact CE1-CE1 4.42Å; F10-F30 HydrophobicContact CE1-CZ 4.1Å; F10-F30 HydrophobicContact CE2-CE1 4.29Å; F10-F30 HydrophobicContact CZ-CE1 4.12Å; F10-F30 HydrophobicContact CZ-CZ 4.26Å; F10-L34 HydrophobicContact CB-CD1 3.36Å; F10-L34 HydrophobicContact CG-CD1 4.47Å; F10-I40 HydrophobicContact CD1-CD1 3.75Å; F10-I40 HydrophobicContact CD1-CG1 3.81Å; F10-I40 HydrophobicContact CE1-CD1 3.87Å; F10-I40 HydrophobicContact CE1-CG1 4.35Å; F10-V49 HydrophobicContact CE1-CB 4.42Å; F10-V49 HydrophobicContact CE1-CG1 3.76Å; F10-V49 HydrophobicContact CZ-CG1 3.93Å; F10-L80 HydrophobicContact CD1-CD1 4.48Å; F10-L80 HydrophobicContact CE1-CD1 4.39Å; F10-C83 HydrophobicContact CE2-CB 4.42Å; F10-C83 HydrophobicContact CZ-CB 3.72Å
11	Y	98.6	Very high	86.8	Confident	25 Å²	25	79.4 Å²	79.4	10%	0.098	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.1	180	-63.3	-98	0	0	0	110.5	T9 D13 F16 R19 R20 C37 N38 S39 K41	T9-Y11 HydrophobicContact CG2-CD2 3.98Å; T9-Y11 HydrophobicContact CG2-CE1 4.19Å; T9-Y11 HydrophobicContact CG2-CE2 3.32Å; T9-Y11 VanDerWaalsContact CG2-CZ 3.43Å; Y11-D13 VanDerWaalsContact C-N 3.27Å; Y11-D13 PolarHBondContact O-N 3.35Å; Y11-F16 HydrophobicContact CD1-CB 4.08Å; Y11-F16 WeakPolarHBondContact CD1-O 3.29Å; Y11-F16 HydrophobicContact CD2-CB 4.17Å; Y11-F16 AromaticContact CD2-CD1 3.96Å; Y11-F16 HydrophobicContact CD2-CD1 3.96Å; Y11-F16 HydrophobicContact CE1-CB 3.9Å; Y11-F16 WeakPolarHBondContact CE1-O 3.5Å; Y11-F16 HydrophobicContact CE2-CB 4.01Å; Y11-F16 AromaticContact CE2-CD1 3.95Å; Y11-F16 HydrophobicContact CE2-CD1 3.95Å; Y11-F16 HydrophobicContact CE2-CG 4.4Å; Y11-F16 HydrophobicContact CG-CB 4.21Å; Y11-R19 WeakPolarHBondContact CA-O 3.5Å; Y11-R20 HydrophobicContact CD1-CB 3.72Å; Y11-R20 HydrophobicContact CE1-CB 3.82Å; Y11-R20 HydrophobicContact CE1-CG 4.46Å; Y11-R20 HydrophobicContact CG-CB 4.33Å; Y11-C37 CarbonylContact O-C 3.51Å; Y11-C37 WeakPolarHBondContact O-CA 3.41Å; Y11-N38 PolarHBondContact O-N 2.94Å; Y11-S39 WeakPolarHBondContact CB-O 3Å; Y11-S39 WeakPolarHBondContact CB-OG 3.44Å; Y11-S39 PolarHBondContact N-O 3.02Å; Y11-S39 PolarHBondContact O-N 2.9Å; Y11-K41 HydrophobicContact CE2-CB 4.37Å; Y11-K41 HydrophobicContact CE2-CD 4.4Å; Y11-K41 HydrophobicContact CE2-CG 3.96Å
12	E	98.3	Very high	89.7	Confident	32 Å²	32	70.7 Å²	70.7	15%	0.15	37%	0.366	C	S	.	.	S	Bend	trans	-63.1	-33.1	-179.8	-100.3	179.4	172.4	0	0	113	R19 L34 S35 R36 N38	E12-R19 HydrophobicContact CB-CB 4.34Å; E12-R19 HydrophobicContact CG-CB 4.32Å; E12-R19 PolarHBondContact N-O 2.8Å; E12-R19 VanDerWaalsContact OE2-CB 3.24Å; E12-R19 WeakPolarHBondContact OE2-CB 3.41Å; E12-L34 HydrophobicContact CG-CB 4.38Å; E12-L34 HydrophobicContact CG-CD2 3.8Å; E12-S35 PolarHBondContact OE1-N 3.22Å; E12-S35 PolarHBondContact OE1-OG 2.96Å; E12-R36 HydrophobicContact CB-CG 4.33Å; E12-R36 HydrophobicContact CG-CG 3.93Å; E12-R36 VanDerWaalsContact CG-O 3.31Å; E12-R36 WeakPolarHBondContact CG-O 3.49Å; E12-R36 PolarHBondContact O-NE 3.04Å; E12-N38 WeakPolarHBondContact O-CB 3.41Å; E12-N38 PolarHBondContact O-ND2 3.37Å
13	D	98.4	Very high	92.5	Very high	54 Å²	54	66.1 Å²	66.1	29%	0.289	33%	0.334	S	S	.	.	S	Bend	trans	-112.9	169	-177.7	-59.2	-37.9	0	0	0	112.1	Y11 Q17 G18 R36 N38 S39	Y11-D13 VanDerWaalsContact C-N 3.27Å; Y11-D13 PolarHBondContact O-N 3.35Å; D13-Q17 HydrophobicContact CB-CB 4.1Å; D13-Q17 PolarHBondContact N-O 3.04Å; D13-G18 WeakPolarHBondContact OD2-CA 3.3Å; D13-R36 IonicContact OD1-CZ 3.64Å; D13-R36 IonicContact OD1-NE 3.75Å; D13-R36 IonicContact OD1-NH2 2.76Å; D13-R36 PolarHBondContact OD1-NH2 3.33Å; D13-N38 VanDerWaalsContact C-CB 3.44Å; D13-S39 PolarHBondContact O-N 3.04Å; D13-S39 PolarHBondContact O-OG 2.87Å
14	K	98.6	Very high	94.9	Very high	84 Å²	84	61.3 Å²	61.3	37%	0.365	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-67.7	160.3	177.2	-64.2	-176.1	174.9	-158.9	0	111.2	F16 Q17 N38 E69	K14-F16 PolarHBondContact O-N 3.13Å; K14-Q17 WeakPolarHBondContact O-CB 3.28Å; K14-Q17 WeakPolarHBondContact O-CG 3.4Å; K14-Q17 PolarHBondContact O-N 2.85Å; K14-N38 HydrophobicContact CG-CB 3.99Å; K14-E69 HydrophobicContact CB-CG 4.47Å; K14-E69 HydrophobicContact CD-CG 4.04Å; K14-E69 HydrophobicContact CG-CG 4.29Å; K14-E69 IonicContact NZ-OE2 2.66Å; K14-E69 PolarHBondContact NZ-OE2 2.92Å
15	N	98.4	Very high	96.5	Very high	90 Å²	90	59.8 Å²	59.8	48%	0.481	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	55.4	37.5	175.1	-55.7	-55.1	0	0	0	113.7	Q17 P68	N15-Q17 VanDerWaalsContact C-N 3.31Å; N15-Q17 PolarHBondContact O-N 2.98Å; N15-Q17 PolarHBondContact O-NE2 3Å; N15-P68 PolarHBondContact N-O 2.94Å; N15-P68 WeakPolarHBondContact OD1-CB 3.45Å
16	F	98.4	Very high	97.2	Very high	40 Å²	40	60 Å²	60	18%	0.175	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	61.8	36.6	174.5	-36.9	-62.9	0	0	0	113.5	Y11 K14 S39 I40 K41 E66 P68	Y11-F16 HydrophobicContact CD1-CB 4.08Å; Y11-F16 WeakPolarHBondContact CD1-O 3.29Å; Y11-F16 HydrophobicContact CD2-CB 4.17Å; Y11-F16 AromaticContact CD2-CD1 3.96Å; Y11-F16 HydrophobicContact CD2-CD1 3.96Å; Y11-F16 HydrophobicContact CE1-CB 3.9Å; Y11-F16 WeakPolarHBondContact CE1-O 3.5Å; Y11-F16 HydrophobicContact CE2-CB 4.01Å; Y11-F16 AromaticContact CE2-CD1 3.95Å; Y11-F16 HydrophobicContact CE2-CD1 3.95Å; Y11-F16 HydrophobicContact CE2-CG 4.4Å; Y11-F16 HydrophobicContact CG-CB 4.21Å; K14-F16 PolarHBondContact O-N 3.13Å; F16-S39 VanDerWaalsContact CA-OG 3.28Å; F16-S39 WeakPolarHBondContact CA-OG 3.31Å; F16-S39 PolarHBondContact N-OG 3.31Å; F16-I40 WeakPolarHBondContact CE1-O 3.41Å; F16-K41 HydrophobicContact CD1-CD 4.2Å; F16-K41 HydrophobicContact CD1-CG 3.57Å; F16-K41 HydrophobicContact CE1-CD 4.47Å; F16-K41 HydrophobicContact CE1-CG 3.62Å; F16-K41 HydrophobicContact CG-CD 4.32Å; F16-K41 HydrophobicContact CG-CG 4.18Å; F16-K41 HydrophobicContact CZ-CG 4.25Å; F16-E66 HydrophobicContact CZ-CB 3.82Å; F16-E66 HydrophobicContact CZ-CG 4.48Å; F16-P68 HydrophobicContact CE2-CB 4.27Å; F16-P68 HydrophobicContact CZ-CB 3.95Å
17	Q	98.4	Very high	97.5	Very high	119 Å²	119	58.6 Å²	58.6	56%	0.556	29%	0.29	S	S	*	.			trans	-106.5	170.1	-179.6	-58.3	-54.1	-56.9	0	0	112	D13 K14 N15	D13-Q17 HydrophobicContact CB-CB 4.1Å; D13-Q17 PolarHBondContact N-O 3.04Å; K14-Q17 WeakPolarHBondContact O-CB 3.28Å; K14-Q17 WeakPolarHBondContact O-CG 3.4Å; K14-Q17 PolarHBondContact O-N 2.85Å; N15-Q17 VanDerWaalsContact C-N 3.31Å; N15-Q17 PolarHBondContact O-N 2.98Å; N15-Q17 PolarHBondContact O-NE2 3Å
18	G	97.7	Very high	97.6	Very high	49 Å²	49	57 Å²	57	51%	0.505	29%	0.291	S	S	.	.	S	Bend	trans	77.4	-156.8	176.2	0	0	0	0	0	113.1	D13	D13-G18 WeakPolarHBondContact OD2-CA 3.3Å
19	R	97.9	Very high	97.5	Very high	154 Å²	154	59.8 Å²	59.8	58%	0.581	31%	0.305	S	S	*	.	S	Bend	trans	-67.6	145.3	176.9	-162.2	176.2	-140.7	-174.3	7.9	110.1	Y11 E12 Y33 L34	Y11-R19 WeakPolarHBondContact CA-O 3.5Å; E12-R19 HydrophobicContact CB-CB 4.34Å; E12-R19 HydrophobicContact CG-CB 4.32Å; E12-R19 PolarHBondContact N-O 2.8Å; E12-R19 VanDerWaalsContact OE2-CB 3.24Å; E12-R19 WeakPolarHBondContact OE2-CB 3.41Å; R19-Y33 WeakPolarHBondContact CD-O 3.45Å; R19-Y33 PolarHBondContact NH1-O 3.32Å; R19-L34 HydrophobicContact CB-CD2 4.04Å; R19-L34 HydrophobicContact CG-CD2 4Å
20	R	97.9	Very high	97.4	Very high	142 Å²	142	59.8 Å²	59.8	54%	0.536	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	153	177.8	71.3	-175.1	-177.3	106.1	3	112.9	T9 F10 Y11 D22	T9-R20 HydrophobicContact CG2-CB 4.02Å; F10-R20 CarbonylContact O-C 3.57Å; F10-R20 WeakPolarHBondContact O-CA 3.28Å; F10-R20 WeakPolarHBondContact O-CB 3.39Å; Y11-R20 HydrophobicContact CD1-CB 3.72Å; Y11-R20 HydrophobicContact CE1-CB 3.82Å; Y11-R20 HydrophobicContact CE1-CG 4.46Å; Y11-R20 HydrophobicContact CG-CB 4.33Å; R20-D22 IonicContact CZ-OD2 2.78Å; R20-D22 VanDerWaalsContact NH1-CG 3.29Å; R20-D22 IonicContact NH1-OD1 2.83Å; R20-D22 PolarHBondContact NH1-OD1 2.99Å; R20-D22 IonicContact NH1-OD2 2.99Å; R20-D22 PolarHBondContact NH1-OD2 2.77Å; R20-D22 IonicContact NH2-OD2 3.63Å
21	Y	97.8	Very high	97.1	Very high	41 Å²	41	64.7 Å²	64.7	16%	0.161	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	120.7	172.7	175.4	-111	0	0	0	108.7	T9 F10 C23 C27 F30 Y33	T9-Y21 WeakPolarHBondContact CA-O 3.4Å; F10-Y21 AromaticContact CD2-CD1 3.99Å; F10-Y21 HydrophobicContact CD2-CD1 3.99Å; F10-Y21 PolarHBondContact N-O 2.99Å; F10-Y21 PolarHBondContact O-N 2.76Å; Y21-C23 HydrophobicContact CD1-CB 4.46Å; Y21-C23 HydrophobicContact CE1-CB 3.89Å; Y21-C27 PolarHBondContact OH-SG 3.01Å; Y21-F30 HydrophobicContact CD1-CB 3.85Å; Y21-F30 HydrophobicContact CD1-CD1 4.49Å; Y21-F30 HydrophobicContact CD1-CG 4.12Å; Y21-F30 HydrophobicContact CE1-CB 3.56Å; Y21-F30 HydrophobicContact CE1-CD1 4.19Å; Y21-F30 HydrophobicContact CE1-CG 4.05Å; Y21-Y33 HydrophobicContact CD2-CD1 4.22Å; Y21-Y33 AromaticContact CD2-CD2 3.92Å; Y21-Y33 HydrophobicContact CD2-CD2 3.92Å; Y21-Y33 AromaticContact CD2-CG 3.65Å; Y21-Y33 HydrophobicContact CD2-CG 3.65Å; Y21-Y33 HydrophobicContact CE2-CD1 4.25Å; Y21-Y33 AromaticContact CE2-CD2 3.55Å; Y21-Y33 HydrophobicContact CE2-CD2 3.55Å; Y21-Y33 AromaticContact CE2-CE2 3.95Å; Y21-Y33 HydrophobicContact CE2-CE2 3.95Å; Y21-Y33 AromaticContact CE2-CG 3.72Å; Y21-Y33 HydrophobicContact CE2-CG 3.72Å; Y21-Y33 HydrophobicContact CG-CG 4.48Å
22	D	97.6	Very high	96.7	Very high	65 Å²	65	67.9 Å²	67.9	35%	0.348	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	137.6	176.4	-64.4	-20.9	0	0	0	108.7	T9 R20	T9-D22 WeakPolarHBondContact CB-OD1 3.36Å; T9-D22 WeakPolarHBondContact CG2-OD1 3.15Å; T9-D22 PolarHBondContact OG1-OD1 3.21Å; R20-D22 IonicContact CZ-OD2 2.78Å; R20-D22 VanDerWaalsContact NH1-CG 3.29Å; R20-D22 IonicContact NH1-OD1 2.83Å; R20-D22 PolarHBondContact NH1-OD1 2.99Å; R20-D22 IonicContact NH1-OD2 2.99Å; R20-D22 PolarHBondContact NH1-OD2 2.77Å; R20-D22 IonicContact NH2-OD2 3.63Å
23	C	96.4	Very high	96.4	Very high	5 Å²	5	72.4 Å²	72.4	3%	0.034	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	135.3	179.6	-157.2	0	0	0	0	110.6	K7 I8 F10 Y21 C25	K7-C23 WeakPolarHBondContact CA-O 3.44Å; I8-C23 HydrophobicContact CG2-CB 3.83Å; I8-C23 PolarHBondContact N-O 2.84Å; I8-C23 PolarHBondContact O-N 3.08Å; F10-C23 HydrophobicContact CE2-CB 4.31Å; Y21-C23 HydrophobicContact CD1-CB 4.46Å; Y21-C23 HydrophobicContact CE1-CB 3.89Å; C23-C25 PolarHBondContact SG-O 2.89Å
24	D	95.6	Very high	96.3	Very high	109 Å²	109	70 Å²	70	58%	0.583	35%	0.354	S	S	*	.	S	Bend	trans	-121.6	-5.1	-179.4	60.9	-4.8	0	0	0	113.3	T6	T6-D24 WeakPolarHBondContact O-CA 3.31Å; T6-D24 PolarHBondContact OG1-O 3Å; T6-D24 VanDerWaalsContact OG1-O 3.07Å
25	C	93.5	Very high	96.1	Very high	72 Å²	72	70.5 Å²	70.5	49%	0.486	37%	0.368	S	S	.	.	S	Bend	trans	-140.1	179	177.6	59.4	0	0	0	0	112	C23 C27 W47	C23-C25 PolarHBondContact SG-O 2.89Å; C25-C27 PolarHBondContact O-N 2.8Å; C25-W47 WeakPolarHBondContact O-CH2 3.3Å; C25-W47 WeakPolarHBondContact O-CZ3 3.32Å
26	D	95.8	Very high	96	Very high	62 Å²	62	71.3 Å²	71.3	33%	0.332	37%	0.365	S	S	.	.			trans	-61.2	130.3	176	-74.9	12	0	0	0	110.8	R84 A85	D26-R84 HydrophobicContact CB-CG 4.31Å; D26-R84 WeakPolarHBondContact OD1-CA 3.3Å; D26-R84 IonicContact OD2-CZ 3.58Å; D26-R84 IonicContact OD2-NE 3.68Å; D26-R84 PolarHBondContact OD2-NE 2.91Å; D26-R84 IonicContact OD2-NH2 3.94Å; D26-A85 PolarHBondContact OD1-N 2.85Å
27	C	97.1	Very high	96	Very high	16 Å²	16	69.4 Å²	69.4	11%	0.108	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-124.9	111.1	177.6	-173.5	0	0	0	0	110.4	Y21 C25 D29 F30 S82 C83	Y21-C27 PolarHBondContact OH-SG 3.01Å; C25-C27 PolarHBondContact O-N 2.8Å; C27-D29 VanDerWaalsContact C-N 3.34Å; C27-F30 HydrophobicContact CB-CD1 4.45Å; C27-S82 CarbonylContact O-C 3.59Å; C27-S82 VanDerWaalsContact O-CA 3.23Å; C27-S82 WeakPolarHBondContact O-CA 3.32Å; C27-S82 VanDerWaalsContact O-CB 3.22Å; C27-S82 WeakPolarHBondContact O-CB 3.38Å; C27-C83 PolarHBondContact N-O 3.19Å; C27-C83 PolarHBondContact O-N 3.13Å
28	A	97.3	Very high	96	Very high	39 Å²	39	64.5 Å²	64.5	32%	0.322	33%	0.334	S	S	.	.	S	Bend	trans	-75.3	-22.7	-177.2	0	0	0	0	0	113.2	P53 N54 F55 S82	A28-P53 CarbonylContact O-C 3.57Å; A28-P53 WeakPolarHBondContact O-CA 3.3Å; A28-N54 PolarHBondContact O-N 2.92Å; A28-F55 HydrophobicContact CB-CE1 4.47Å; A28-F55 HydrophobicContact CB-CE2 4.38Å; A28-F55 HydrophobicContact CB-CZ 3.93Å; A28-S82 VanDerWaalsContact O-CB 3.23Å; A28-S82 WeakPolarHBondContact O-CB 3.4Å
29	D	97.4	Very high	96	Very high	57 Å²	57	62.2 Å²	62.2	31%	0.305	31%	0.31	S	S	.	.			trans	-159.3	116.1	176.6	-164.6	-8.6	0	0	0	111.7	C27 H31 P53 S81	C27-D29 VanDerWaalsContact C-N 3.34Å; D29-H31 WeakPolarHBondContact OD1-CB 3.15Å; D29-H31 IonicContact OD1-CE1 3.87Å; D29-H31 IonicContact OD1-CG 3.43Å; D29-H31 PolarHBondContact OD1-N 2.71Å; D29-H31 IonicContact OD1-ND1 2.73Å; D29-H31 PolarHBondContact OD1-ND1 3.5Å; D29-H31 IonicContact OD2-CE1 3.28Å; D29-H31 PolarHBondContact OD2-CE1 3.43Å; D29-H31 VanDerWaalsContact OD2-CE1 3.28Å; D29-H31 IonicContact OD2-ND1 2.81Å; D29-H31 PolarHBondContact OD2-ND1 2.99Å; D29-P53 HydrophobicContact CB-CB 4.18Å; D29-S81 CarbonylContact C-O 3.54Å; D29-S81 VanDerWaalsContact CA-O 3.24Å; D29-S81 WeakPolarHBondContact CA-O 3.48Å
30	F	95.9	Very high	96.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.282	C	S	.	.			trans	-116.1	14.4	174.2	57.9	-108.4	0	0	0	114.2	F10 Y21 C27 T32 Y33 L34 L80 S81 S82 C83	F10-F30 HydrophobicContact CD1-CZ 4.27Å; F10-F30 HydrophobicContact CE1-CE1 4.42Å; F10-F30 HydrophobicContact CE1-CZ 4.1Å; F10-F30 HydrophobicContact CE2-CE1 4.29Å; F10-F30 HydrophobicContact CZ-CE1 4.12Å; F10-F30 HydrophobicContact CZ-CZ 4.26Å; Y21-F30 HydrophobicContact CD1-CB 3.85Å; Y21-F30 HydrophobicContact CD1-CD1 4.49Å; Y21-F30 HydrophobicContact CD1-CG 4.12Å; Y21-F30 HydrophobicContact CE1-CB 3.56Å; Y21-F30 HydrophobicContact CE1-CD1 4.19Å; Y21-F30 HydrophobicContact CE1-CG 4.05Å; C27-F30 HydrophobicContact CB-CD1 4.45Å; F30-T32 PolarHBondContact O-N 2.91Å; F30-T32 VanDerWaalsContact O-N 3.16Å; F30-Y33 HydrophobicContact CB-CD2 4.01Å; F30-Y33 PolarHBondContact O-N 3.41Å; F30-L34 PolarHBondContact O-N 2.63Å; F30-L80 VanDerWaalsContact CE2-C 3.49Å; F30-L80 HydrophobicContact CE2-CB 4.21Å; F30-L80 WeakPolarHBondContact CE2-O 3.43Å; F30-L80 HydrophobicContact CZ-CB 3.86Å; F30-S81 VanDerWaalsContact CD1-O 3.31Å; F30-S81 WeakPolarHBondContact CD1-O 3.22Å; F30-S81 VanDerWaalsContact CZ-C 3.5Å; F30-S81 PolarHBondContact N-O 3.02Å; F30-S82 VanDerWaalsContact CE1-C 3.49Å; F30-S82 VanDerWaalsContact CE1-CA 3.42Å; F30-S82 VanDerWaalsContact CE1-N 3.26Å; F30-C83 HydrophobicContact CE1-CB 4.23Å
31	H	91.2	Very high	96.1	Very high	104 Å²	104	50.4 Å²	50.4	48%	0.481	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-26.5	-179	83.4	-89.6	0	0	0	113.3	D29 Y33 L34	D29-H31 WeakPolarHBondContact OD1-CB 3.15Å; D29-H31 IonicContact OD1-CE1 3.87Å; D29-H31 IonicContact OD1-CG 3.43Å; D29-H31 PolarHBondContact OD1-N 2.71Å; D29-H31 IonicContact OD1-ND1 2.73Å; D29-H31 PolarHBondContact OD1-ND1 3.5Å; D29-H31 IonicContact OD2-CE1 3.28Å; D29-H31 PolarHBondContact OD2-CE1 3.43Å; D29-H31 VanDerWaalsContact OD2-CE1 3.28Å; D29-H31 IonicContact OD2-ND1 2.81Å; D29-H31 PolarHBondContact OD2-ND1 2.99Å; H31-Y33 VanDerWaalsContact C-N 3.26Å; H31-Y33 PolarHBondContact O-N 2.7Å; H31-L34 CarbonylContact C-O 3.54Å; H31-L34 WeakPolarHBondContact CA-O 3.47Å; H31-L34 VanDerWaalsContact O-O 3.12Å
32	T	90.8	Very high	96.1	Very high	91 Å²	91	48.7 Å²	48.7	56%	0.558	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-25.2	176.1	51.4	0	0	0	0	112.4	F30	F30-T32 PolarHBondContact O-N 2.91Å; F30-T32 VanDerWaalsContact O-N 3.16Å
33	Y	93.4	Very high	96	Very high	127 Å²	127	50.1 Å²	50.1	50%	0.498	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-39.6	179.6	-55.3	-73.4	0	0	0	111.9	R19 Y21 F30 H31	R19-Y33 WeakPolarHBondContact CD-O 3.45Å; R19-Y33 PolarHBondContact NH1-O 3.32Å; Y21-Y33 HydrophobicContact CD2-CD1 4.22Å; Y21-Y33 AromaticContact CD2-CD2 3.92Å; Y21-Y33 HydrophobicContact CD2-CD2 3.92Å; Y21-Y33 AromaticContact CD2-CG 3.65Å; Y21-Y33 HydrophobicContact CD2-CG 3.65Å; Y21-Y33 HydrophobicContact CE2-CD1 4.25Å; Y21-Y33 AromaticContact CE2-CD2 3.55Å; Y21-Y33 HydrophobicContact CE2-CD2 3.55Å; Y21-Y33 AromaticContact CE2-CE2 3.95Å; Y21-Y33 HydrophobicContact CE2-CE2 3.95Å; Y21-Y33 AromaticContact CE2-CG 3.72Å; Y21-Y33 HydrophobicContact CE2-CG 3.72Å; Y21-Y33 HydrophobicContact CG-CG 4.48Å; F30-Y33 HydrophobicContact CB-CD2 4.01Å; F30-Y33 PolarHBondContact O-N 3.41Å; H31-Y33 VanDerWaalsContact C-N 3.26Å; H31-Y33 PolarHBondContact O-N 2.7Å
34	L	94.4	Very high	95.9	Very high	3 Å²	3	50 Å²	50	2%	0.016	27%	0.265	C	S	.	.			trans	-132.5	131.4	178.6	-63.1	176.6	0	0	0	111.6	F10 E12 R19 F30 H31	F10-L34 HydrophobicContact CB-CD1 3.36Å; F10-L34 HydrophobicContact CG-CD1 4.47Å; E12-L34 HydrophobicContact CG-CB 4.38Å; E12-L34 HydrophobicContact CG-CD2 3.8Å; R19-L34 HydrophobicContact CB-CD2 4.04Å; R19-L34 HydrophobicContact CG-CD2 4Å; F30-L34 PolarHBondContact O-N 2.63Å; H31-L34 CarbonylContact C-O 3.54Å; H31-L34 WeakPolarHBondContact CA-O 3.47Å; H31-L34 VanDerWaalsContact O-O 3.12Å
35	S	94.4	Very high	95.7	Very high	96 Å²	96	45.1 Å²	45.1	67%	0.671	24%	0.24	S	C	*	.	S	Bend	trans	-80.1	-22.1	177	61.7	0	0	0	0	113.6	E12	E12-S35 PolarHBondContact OE1-N 3.22Å; E12-S35 PolarHBondContact OE1-OG 2.96Å
36	R	96.7	Very high	95.8	Very high	107 Å²	107	41.7 Å²	41.7	40%	0.404	22%	0.217	S	C	.	.			trans	-159.3	169.3	-179.5	61.6	-178.6	-173.1	-158.8	-1	109.9	E12 D13 D78	E12-R36 HydrophobicContact CB-CG 4.33Å; E12-R36 HydrophobicContact CG-CG 3.93Å; E12-R36 VanDerWaalsContact CG-O 3.31Å; E12-R36 WeakPolarHBondContact CG-O 3.49Å; E12-R36 PolarHBondContact O-NE 3.04Å; D13-R36 IonicContact OD1-CZ 3.64Å; D13-R36 IonicContact OD1-NE 3.75Å; D13-R36 IonicContact OD1-NH2 2.76Å; D13-R36 PolarHBondContact OD1-NH2 3.33Å; R36-D78 CarbonylContact C-O 3.59Å
37	C	98.3	Very high	95.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.201	C	C	.	.			trans	-141.5	112.2	177.6	-176.6	0	0	0	0	110.9	Y11 I40 D78 L80	Y11-C37 CarbonylContact O-C 3.51Å; Y11-C37 WeakPolarHBondContact O-CA 3.41Å; C37-I40 VanDerWaalsContact SG-CG1 3.52Å; C37-D78 PolarHBondContact N-O 3.03Å; C37-D78 CarbonylContact O-C 3.58Å; C37-D78 WeakPolarHBondContact O-CA 3.43Å; C37-D78 WeakPolarHBondContact O-CB 3.45Å; C37-L80 HydrophobicContact CB-CB 4.26Å; C37-L80 HydrophobicContact CB-CD1 4.17Å; C37-L80 HydrophobicContact CB-CG 4.47Å
38	N	98.5	Very high	95.8	Very high	16 Å²	16	38 Å²	38	9%	0.086	20%	0.196	C	C	.	.	S	Bend	trans	-109.6	-16	-179	-82.3	-84	0	0	0	113.4	Y11 E12 D13 K14 E69 Y70 D78	Y11-N38 PolarHBondContact O-N 2.94Å; E12-N38 WeakPolarHBondContact O-CB 3.41Å; E12-N38 PolarHBondContact O-ND2 3.37Å; D13-N38 VanDerWaalsContact C-CB 3.44Å; K14-N38 HydrophobicContact CG-CB 3.99Å; N38-E69 CarbonylContact O-C 3.56Å; N38-E69 WeakPolarHBondContact O-CA 3.45Å; N38-Y70 PolarHBondContact O-N 2.82Å; N38-Y70 VanDerWaalsContact O-N 3.14Å; N38-Y70 WeakPolarHBondContact OD1-CD1 3.47Å; N38-D78 PolarHBondContact ND2-OD2 3.33Å
39	S	98.8	Very high	95.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	153.6	171.9	61.5	0	0	0	0	112.3	Y11 D13 F16 Y67 P68	Y11-S39 WeakPolarHBondContact CB-O 3Å; Y11-S39 WeakPolarHBondContact CB-OG 3.44Å; Y11-S39 PolarHBondContact N-O 3.02Å; Y11-S39 PolarHBondContact O-N 2.9Å; D13-S39 PolarHBondContact O-N 3.04Å; D13-S39 PolarHBondContact O-OG 2.87Å; F16-S39 VanDerWaalsContact CA-OG 3.28Å; F16-S39 WeakPolarHBondContact CA-OG 3.31Å; F16-S39 PolarHBondContact N-OG 3.31Å; S39-Y67 CarbonylContact C-O 3.54Å; S39-Y67 VanDerWaalsContact CA-O 3.24Å; S39-Y67 WeakPolarHBondContact CA-O 3.14Å; S39-Y67 VanDerWaalsContact CB-O 3.26Å; S39-Y67 WeakPolarHBondContact CB-O 3.5Å; S39-P68 VanDerWaalsContact CB-O 3.29Å; S39-P68 WeakPolarHBondContact CB-O 3.28Å
40	I	98.8	Very high	95.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	139.2	-174	-64.2	173.7	0	0	0	110.1	I8 T9 F10 F16 C37 V42 L62 Y67 W73 L80	I8-I40 HydrophobicContact CD1-CG2 3.76Å; I8-I40 HydrophobicContact CG1-CG2 3.68Å; T9-I40 CarbonylContact O-C 3.46Å; T9-I40 VanDerWaalsContact O-CA 3.3Å; T9-I40 WeakPolarHBondContact O-CA 3.36Å; F10-I40 HydrophobicContact CD1-CD1 3.75Å; F10-I40 HydrophobicContact CD1-CG1 3.81Å; F10-I40 HydrophobicContact CE1-CD1 3.87Å; F10-I40 HydrophobicContact CE1-CG1 4.35Å; F16-I40 WeakPolarHBondContact CE1-O 3.41Å; C37-I40 VanDerWaalsContact SG-CG1 3.52Å; I40-V42 HydrophobicContact CG2-CG2 4.05Å; I40-L62 HydrophobicContact CB-CD2 4.15Å; I40-L62 HydrophobicContact CD1-CD2 3.73Å; I40-L62 HydrophobicContact CG2-CD2 3.81Å; I40-Y67 PolarHBondContact N-O 2.77Å; I40-Y67 WeakPolarHBondContact O-CA 3.46Å; I40-Y67 WeakPolarHBondContact O-CB 3.45Å; I40-Y67 PolarHBondContact O-N 3.03Å; I40-W73 HydrophobicContact CB-CE3 4.44Å; I40-W73 HydrophobicContact CB-CZ3 4.02Å; I40-W73 HydrophobicContact CD1-CD2 4.21Å; I40-W73 HydrophobicContact CD1-CE3 4.02Å; I40-W73 HydrophobicContact CD1-CH2 3.81Å; I40-W73 HydrophobicContact CD1-CZ2 3.98Å; I40-W73 HydrophobicContact CD1-CZ3 3.84Å; I40-W73 HydrophobicContact CG1-CE3 4.31Å; I40-W73 HydrophobicContact CG1-CH2 3.79Å; I40-W73 HydrophobicContact CG1-CZ2 4.44Å; I40-W73 HydrophobicContact CG1-CZ3 3.73Å; I40-L80 HydrophobicContact CD1-CD1 3.7Å
41	K	98.6	Very high	95.9	Very high	49 Å²	49	35.7 Å²	35.7	21%	0.213	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.9	163.7	-64.8	-166.7	-179.3	-146	0	109.6	I8 T9 Y11 F16 E66	I8-K41 CarbonylContact C-O 3.58Å; I8-K41 WeakPolarHBondContact CA-O 3.46Å; T9-K41 PolarHBondContact N-O 3.05Å; T9-K41 PolarHBondContact O-N 2.84Å; Y11-K41 HydrophobicContact CE2-CB 4.37Å; Y11-K41 HydrophobicContact CE2-CD 4.4Å; Y11-K41 HydrophobicContact CE2-CG 3.96Å; F16-K41 HydrophobicContact CD1-CD 4.2Å; F16-K41 HydrophobicContact CD1-CG 3.57Å; F16-K41 HydrophobicContact CE1-CD 4.47Å; F16-K41 HydrophobicContact CE1-CG 3.62Å; F16-K41 HydrophobicContact CG-CD 4.32Å; F16-K41 HydrophobicContact CG-CG 4.18Å; F16-K41 HydrophobicContact CZ-CG 4.25Å; K41-E66 WeakPolarHBondContact CE-OE1 3.39Å; K41-E66 HydrophobicContact CG-CG 4.35Å; K41-E66 IonicContact NZ-OE1 3.44Å; K41-E66 PolarHBondContact NZ-OE1 2.81Å
42	V	98	Very high	96.2	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.024	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	102.9	169.1	-175.3	0	0	0	0	107	I8 I40 G45 L62 Q64 G65 Y67	I8-V42 HydrophobicContact CD1-CG2 3.94Å; I8-V42 HydrophobicContact CG1-CG2 4.07Å; I40-V42 HydrophobicContact CG2-CG2 4.05Å; V42-G45 VanDerWaalsContact CG1-O 3.28Å; V42-G45 WeakPolarHBondContact CG1-O 3.1Å; V42-L62 HydrophobicContact CG2-CB 3.91Å; V42-L62 HydrophobicContact CG2-CD2 4.32Å; V42-Q64 VanDerWaalsContact O-CG 3.32Å; V42-Q64 WeakPolarHBondContact O-CG 3.48Å; V42-G65 PolarHBondContact N-O 2.83Å; V42-G65 PolarHBondContact O-N 3.36Å; V42-Y67 HydrophobicContact CG2-CD2 4.48Å; V42-Y67 HydrophobicContact CG2-CE2 4.03Å
43	E	96.3	Very high	96.5	Very high	96 Å²	96	34.5 Å²	34.5	45%	0.449	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-28.5	-178.9	-66.2	-177.2	170.8	0	0	111.8	K7 Q64	K7-E43 HydrophobicContact CB-CB 4.24Å; K7-E43 WeakPolarHBondContact CD-OE2 3.4Å; K7-E43 WeakPolarHBondContact CE-OE2 3.44Å; K7-E43 HydrophobicContact CG-CB 4.39Å; K7-E43 IonicContact NZ-OE1 2.88Å; K7-E43 PolarHBondContact NZ-OE1 3.49Å; K7-E43 IonicContact NZ-OE2 3.67Å; K7-E43 PolarHBondContact NZ-OE2 2.94Å; K7-E43 PolarHBondContact O-N 3.44Å; E43-Q64 PolarHBondContact O-NE2 3.06Å
44	G	92.9	Very high	96.6	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	142.4	179.2	0	0	0	0	0	113.7	T6 K7 W47	T6-G44 WeakPolarHBondContact CA-O 3.41Å; K7-G44 PolarHBondContact N-O 2.86Å; K7-G44 PolarHBondContact O-N 2.75Å; G44-W47 PolarHBondContact O-NE1 3.34Å; G44-W47 VanDerWaalsContact O-NE1 3.13Å
45	G	92.6	Very high	96.7	Very high	6 Å²	6	37.2 Å²	37.2	6%	0.062	18%	0.182	C	C	.	.	S	Bend	trans	76.5	-174.6	-179.6	0	0	0	0	0	113.9	V42 Q64	V42-G45 VanDerWaalsContact CG1-O 3.28Å; V42-G45 WeakPolarHBondContact CG1-O 3.1Å; G45-Q64 PolarHBondContact O-N 3.42Å
46	T	94.4	Very high	96.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.8	170.4	-63	0	0	0	0	109.9	I61 L62 V86 I176	T46-I61 HydrophobicContact CG2-CG2 3.51Å; T46-L62 WeakPolarHBondContact CA-O 3.25Å; T46-V86 HydrophobicContact CG2-CB 4.16Å; T46-V86 HydrophobicContact CG2-CG2 4.09Å; T46-V86 WeakPolarHBondContact O-CB 3.2Å; T46-V86 PolarHBondContact O-N 2.9Å; T46-I176 HydrophobicContact CG2-CG2 3.77Å
47	W	96.8	Very high	96.6	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140	-176.5	-71.9	79.3	0	0	0	112.1	I8 C25 G44 I61 L62 C83 R84 A85	I8-W47 HydrophobicContact CB-CD2 3.9Å; I8-W47 HydrophobicContact CB-CE3 4.48Å; I8-W47 HydrophobicContact CB-CG 4.06Å; I8-W47 HydrophobicContact CB-CZ2 4.24Å; I8-W47 HydrophobicContact CD1-CB 3.82Å; I8-W47 HydrophobicContact CD1-CD2 4.26Å; I8-W47 HydrophobicContact CD1-CG 3.88Å; I8-W47 HydrophobicContact CG2-CD2 3.55Å; I8-W47 HydrophobicContact CG2-CE3 3.66Å; I8-W47 HydrophobicContact CG2-CG 4.2Å; I8-W47 HydrophobicContact CG2-CH2 3.74Å; I8-W47 HydrophobicContact CG2-CZ2 3.64Å; I8-W47 HydrophobicContact CG2-CZ3 3.76Å; C25-W47 WeakPolarHBondContact O-CH2 3.3Å; C25-W47 WeakPolarHBondContact O-CZ3 3.32Å; G44-W47 PolarHBondContact O-NE1 3.34Å; G44-W47 VanDerWaalsContact O-NE1 3.13Å; W47-I61 CarbonylContact O-C 3.32Å; W47-I61 WeakPolarHBondContact O-CA 3.38Å; W47-L62 PolarHBondContact N-O 3.16Å; W47-L62 PolarHBondContact O-N 3.35Å; W47-C83 HydrophobicContact CE3-CB 4.19Å; W47-C83 HydrophobicContact CZ3-CB 4.5Å; W47-R84 CarbonylContact C-O 3.54Å; W47-R84 WeakPolarHBondContact CA-O 3.14Å; W47-R84 VanDerWaalsContact CE3-C 3.42Å; W47-A85 HydrophobicContact CD2-CB 4.5Å; W47-A85 HydrophobicContact CE3-CB 4.4Å; W47-A85 HydrophobicContact CH2-CB 4.28Å; W47-A85 HydrophobicContact CZ2-CB 4.35Å; W47-A85 HydrophobicContact CZ3-CB 4.29Å
48	A	96.9	Very high	96.4	Very high	1 Å²	1	34 Å²	34	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.2	164.2	0	0	0	0	0	108.7	Y50 M59 Y60 I61 C83 R84 V86	A48-Y50 HydrophobicContact CB-CE2 3.87Å; A48-M59 HydrophobicContact CB-CG 4.4Å; A48-M59 HydrophobicContact CB-SD 4.38Å; A48-Y60 WeakPolarHBondContact CA-O 3.33Å; A48-I61 HydrophobicContact CB-CD1 3.59Å; A48-C83 CarbonylContact O-C 3.54Å; A48-C83 WeakPolarHBondContact O-CA 3.28Å; A48-R84 PolarHBondContact N-O 2.73Å; A48-R84 PolarHBondContact O-N 3.41Å; A48-V86 HydrophobicContact CB-CG2 4.16Å
49	V	98	Very high	96.3	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.1	177.5	-53.4	0	0	0	0	109.9	I8 F10 M59 Y60 L62 L80 C83	I8-V49 HydrophobicContact CD1-CG1 3.94Å; F10-V49 HydrophobicContact CE1-CB 4.42Å; F10-V49 HydrophobicContact CE1-CG1 3.76Å; F10-V49 HydrophobicContact CZ-CG1 3.93Å; V49-M59 CarbonylContact O-C 3.59Å; V49-M59 WeakPolarHBondContact O-CA 3.33Å; V49-Y60 HydrophobicContact CG2-CD2 4.13Å; V49-Y60 PolarHBondContact N-O 3.47Å; V49-Y60 PolarHBondContact O-N 3.48Å; V49-L62 HydrophobicContact CB-CD1 4.36Å; V49-L62 HydrophobicContact CG1-CD1 4.09Å; V49-L62 HydrophobicContact CG2-CD1 3.4Å; V49-L80 HydrophobicContact CB-CD1 4.23Å; V49-L80 HydrophobicContact CB-CD2 4.21Å; V49-L80 HydrophobicContact CG2-CD1 3.86Å; V49-L80 HydrophobicContact CG2-CD2 3.81Å; V49-C83 HydrophobicContact CB-CB 4.46Å; V49-C83 HydrophobicContact CG1-CB 3.96Å
50	Y	97.8	Very high	96.2	Very high	22 Å²	22	34.5 Å²	34.5	9%	0.086	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.3	-170.6	-59.2	-98.4	0	0	0	111.3	A48 R52 F55 Y58 M59 L80 S81 S82 R84	A48-Y50 HydrophobicContact CB-CE2 3.87Å; Y50-R52 VanDerWaalsContact C-N 3.31Å; Y50-R52 PolarHBondContact O-N 2.69Å; Y50-F55 HydrophobicContact CD1-CB 4.18Å; Y50-F55 VanDerWaalsContact CD1-O 3.29Å; Y50-F55 WeakPolarHBondContact CD1-O 3.48Å; Y50-F55 HydrophobicContact CD2-CB 4.07Å; Y50-F55 AromaticContact CD2-CD1 3.98Å; Y50-F55 HydrophobicContact CD2-CD1 3.98Å; Y50-F55 HydrophobicContact CE1-CB 4.03Å; Y50-F55 WeakPolarHBondContact CE1-O 3.3Å; Y50-F55 HydrophobicContact CE2-CB 3.95Å; Y50-F55 AromaticContact CE2-CD1 3.97Å; Y50-F55 HydrophobicContact CE2-CD1 3.97Å; Y50-F55 HydrophobicContact CE2-CG 4.36Å; Y50-F55 HydrophobicContact CG-CB 4.2Å; Y50-Y58 WeakPolarHBondContact CA-O 3.41Å; Y50-M59 HydrophobicContact CD1-CB 3.78Å; Y50-M59 HydrophobicContact CD1-CG 3.8Å; Y50-M59 HydrophobicContact CE1-CB 3.72Å; Y50-M59 HydrophobicContact CE1-CG 3.38Å; Y50-M59 HydrophobicContact CE1-SD 3.82Å; Y50-M59 HydrophobicContact CE2-CG 4.4Å; Y50-M59 HydrophobicContact CG-CG 4.46Å; Y50-L80 WeakPolarHBondContact O-CA 3.23Å; Y50-S81 PolarHBondContact O-N 3.07Å; Y50-S82 WeakPolarHBondContact CB-OG 3.3Å; Y50-S82 PolarHBondContact N-O 2.83Å; Y50-S82 PolarHBondContact O-N 3.23Å; Y50-R84 HydrophobicContact CE2-CG 4.25Å
51	E	96.8	Very high	96.1	Very high	25 Å²	25	34.9 Å²	34.9	12%	0.117	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	-42.6	179.3	-178.9	-170.5	-146.6	0	0	112.4	Y58 N77 R79 S81	E51-Y58 PolarHBondContact N-O 3.1Å; E51-Y58 WeakPolarHBondContact OE2-CD2 3.33Å; E51-N77 PolarHBondContact OE1-ND2 2.87Å; E51-R79 WeakPolarHBondContact CA-O 3.46Å; E51-R79 HydrophobicContact CG-CB 4.25Å; E51-S81 PolarHBondContact O-N 3.03Å; E51-S81 PolarHBondContact O-OG 3.26Å; E51-S81 VanDerWaalsContact O-OG 3.07Å
52	R	96.6	Very high	96	Very high	129 Å²	129	32.6 Å²	32.6	49%	0.487	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	162.9	-173.9	-61.5	-166.4	-63.2	-87.6	8.8	112.2	Y50 A56 S82	Y50-R52 VanDerWaalsContact C-N 3.31Å; Y50-R52 PolarHBondContact O-N 2.69Å; R52-A56 HydrophobicContact CB-CB 4.15Å; R52-A56 WeakPolarHBondContact CB-O 3.5Å; R52-A56 PolarHBondContact N-O 2.87Å; R52-S82 PolarHBondContact O-OG 3.11Å
53	P	97.1	Very high	95.8	Very high	41 Å²	41	34.2 Å²	34.2	27%	0.266	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	161.3	173.2	-25.2	35.1	0	0	0	112	A28 D29 F55 A56	A28-P53 CarbonylContact O-C 3.57Å; A28-P53 WeakPolarHBondContact O-CA 3.3Å; D29-P53 HydrophobicContact CB-CB 4.18Å; P53-F55 VanDerWaalsContact C-N 3.3Å; P53-F55 PolarHBondContact O-N 3.03Å; P53-A56 WeakPolarHBondContact O-CB 3.44Å
54	N	96.8	Very high	95.7	Very high	118 Å²	118	35.8 Å²	35.8	63%	0.631	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	39.9	177.3	-54.2	-63	0	0	0	113.5	A28 A56	A28-N54 PolarHBondContact O-N 2.92Å; N54-A56 VanDerWaalsContact C-N 3.31Å; N54-A56 PolarHBondContact O-N 3.04Å
55	F	95.5	Very high	95.8	Very high	68 Å²	68	36.9 Å²	36.9	30%	0.298	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	37.7	172.8	-38.4	-57.5	0	0	0	113.5	A28 Y50 P53 S82 R84	A28-F55 HydrophobicContact CB-CE1 4.47Å; A28-F55 HydrophobicContact CB-CE2 4.38Å; A28-F55 HydrophobicContact CB-CZ 3.93Å; Y50-F55 HydrophobicContact CD1-CB 4.18Å; Y50-F55 VanDerWaalsContact CD1-O 3.29Å; Y50-F55 WeakPolarHBondContact CD1-O 3.48Å; Y50-F55 HydrophobicContact CD2-CB 4.07Å; Y50-F55 AromaticContact CD2-CD1 3.98Å; Y50-F55 HydrophobicContact CD2-CD1 3.98Å; Y50-F55 HydrophobicContact CE1-CB 4.03Å; Y50-F55 WeakPolarHBondContact CE1-O 3.3Å; Y50-F55 HydrophobicContact CE2-CB 3.95Å; Y50-F55 AromaticContact CE2-CD1 3.97Å; Y50-F55 HydrophobicContact CE2-CD1 3.97Å; Y50-F55 HydrophobicContact CE2-CG 4.36Å; Y50-F55 HydrophobicContact CG-CB 4.2Å; P53-F55 VanDerWaalsContact C-N 3.3Å; P53-F55 PolarHBondContact O-N 3.03Å; F55-S82 WeakPolarHBondContact CA-OG 3.22Å; F55-S82 PolarHBondContact N-OG 2.99Å; F55-R84 VanDerWaalsContact CD1-CD 3.49Å; F55-R84 HydrophobicContact CD1-CG 3.42Å; F55-R84 VanDerWaalsContact CD1-CG 3.42Å; F55-R84 HydrophobicContact CE1-CG 3.19Å; F55-R84 HydrophobicContact CE2-CG 4.45Å; F55-R84 HydrophobicContact CG-CG 4.15Å; F55-R84 HydrophobicContact CZ-CG 3.76Å
56	A	94	Very high	96.1	Very high	35 Å²	35	42.3 Å²	42.3	29%	0.289	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	159.9	-174.2	0	0	0	0	0	112.9	R52 P53 N54	R52-A56 HydrophobicContact CB-CB 4.15Å; R52-A56 WeakPolarHBondContact CB-O 3.5Å; R52-A56 PolarHBondContact N-O 2.87Å; P53-A56 WeakPolarHBondContact O-CB 3.44Å; N54-A56 VanDerWaalsContact C-N 3.31Å; N54-A56 PolarHBondContact O-N 3.04Å
57	G	94.3	Very high	96.3	Very high	17 Å²	17	43.9 Å²	43.9	18%	0.175	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.1	-149.3	177.2	0	0	0	0	0	113.3
58	Y	95.1	Very high	96.4	Very high	85 Å²	85	45.4 Å²	45.4	33%	0.333	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	135.1	173.5	-67.8	-75.1	0	0	0	110.2	Y50 E51 Y60 L76 R148	Y50-Y58 WeakPolarHBondContact CA-O 3.41Å; E51-Y58 PolarHBondContact N-O 3.1Å; E51-Y58 WeakPolarHBondContact OE2-CD2 3.33Å; Y58-Y60 WeakPolarHBondContact CB-OH 3.3Å; Y58-L76 HydrophobicContact CD1-CD1 3.78Å; Y58-L76 HydrophobicContact CD2-CD1 3.68Å; Y58-L76 HydrophobicContact CE1-CD1 3.5Å; Y58-L76 HydrophobicContact CE2-CD1 3.39Å; Y58-L76 HydrophobicContact CG-CD1 3.86Å; Y58-R148 HydrophobicContact CD1-CG 4.19Å; Y58-R148 HydrophobicContact CE1-CG 4.39Å
59	M	96.4	Very high	96.4	Very high	15 Å²	15	48 Å²	48	7%	0.074	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.9	177.5	-175.7	-161	73	0	0	109.2	A48 V49 Y50 I61 Q149 L151	A48-M59 HydrophobicContact CB-CG 4.4Å; A48-M59 HydrophobicContact CB-SD 4.38Å; V49-M59 CarbonylContact O-C 3.59Å; V49-M59 WeakPolarHBondContact O-CA 3.33Å; Y50-M59 HydrophobicContact CD1-CB 3.78Å; Y50-M59 HydrophobicContact CD1-CG 3.8Å; Y50-M59 HydrophobicContact CE1-CB 3.72Å; Y50-M59 HydrophobicContact CE1-CG 3.38Å; Y50-M59 HydrophobicContact CE1-SD 3.82Å; Y50-M59 HydrophobicContact CE2-CG 4.4Å; Y50-M59 HydrophobicContact CG-CG 4.46Å; M59-I61 HydrophobicContact CE-CD1 3.77Å; M59-I61 HydrophobicContact CE-CG1 4.02Å; M59-I61 HydrophobicContact SD-CD1 4.11Å; M59-Q149 HydrophobicContact CE-CB 4.05Å; M59-L151 HydrophobicContact CE-CB 3.77Å; M59-L151 VanDerWaalsContact CE-N 3.26Å; M59-L151 HydrophobicContact SD-CB 3.68Å
60	Y	97.1	Very high	96.4	Very high	10 Å²	10	50.8 Å²	50.8	4%	0.039	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	134.4	175.7	-47.3	-85.4	0	0	0	109.5	A48 V49 Y58 W73 M74 L76 L80	A48-Y60 WeakPolarHBondContact CA-O 3.33Å; V49-Y60 HydrophobicContact CG2-CD2 4.13Å; V49-Y60 PolarHBondContact N-O 3.47Å; V49-Y60 PolarHBondContact O-N 3.48Å; Y58-Y60 WeakPolarHBondContact CB-OH 3.3Å; Y60-W73 WeakPolarHBondContact CD1-O 3.46Å; Y60-W73 AromaticContact CG-CD1 3.93Å; Y60-M74 VanDerWaalsContact CE1-O 3.29Å; Y60-M74 WeakPolarHBondContact CE1-O 3.42Å; Y60-L76 PolarHBondContact OH-N 2.88Å; Y60-L76 VanDerWaalsContact OH-N 3.12Å; Y60-L80 HydrophobicContact CD2-CD2 4.05Å; Y60-L80 HydrophobicContact CE2-CD2 4.15Å
61	I	95.9	Very high	96.3	Very high	9 Å²	9	54 Å²	54	5%	0.046	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.2	174.1	-55.9	-56.5	0	0	0	109.9	T46 W47 A48 M59 V86 I138 Q149 L151 I176	T46-I61 HydrophobicContact CG2-CG2 3.51Å; W47-I61 CarbonylContact O-C 3.32Å; W47-I61 WeakPolarHBondContact O-CA 3.38Å; A48-I61 HydrophobicContact CB-CD1 3.59Å; M59-I61 HydrophobicContact CE-CD1 3.77Å; M59-I61 HydrophobicContact CE-CG1 4.02Å; M59-I61 HydrophobicContact SD-CD1 4.11Å; I61-V86 HydrophobicContact CD1-CG2 4.49Å; I61-I138 HydrophobicContact CB-CD1 3.68Å; I61-I138 HydrophobicContact CB-CG1 4.5Å; I61-I138 HydrophobicContact CG1-CD1 3.7Å; I61-I138 HydrophobicContact CG1-CG1 3.98Å; I61-I138 HydrophobicContact CG1-CG2 4.49Å; I61-I138 HydrophobicContact CG2-CD1 3.8Å; I61-Q149 VanDerWaalsContact N-OE1 3.16Å; I61-L151 HydrophobicContact CD1-CB 4.44Å; I61-L151 HydrophobicContact CD1-CD1 4.08Å; I61-I176 HydrophobicContact CG2-CD1 4.02Å
62	L	96.1	Very high	96.3	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	102.7	-179.8	-71.7	79.9	0	0	0	109.6	I40 V42 T46 W47 V49 Y67 W73	I40-L62 HydrophobicContact CB-CD2 4.15Å; I40-L62 HydrophobicContact CD1-CD2 3.73Å; I40-L62 HydrophobicContact CG2-CD2 3.81Å; V42-L62 HydrophobicContact CG2-CB 3.91Å; V42-L62 HydrophobicContact CG2-CD2 4.32Å; T46-L62 WeakPolarHBondContact CA-O 3.25Å; W47-L62 PolarHBondContact N-O 3.16Å; W47-L62 PolarHBondContact O-N 3.35Å; V49-L62 HydrophobicContact CB-CD1 4.36Å; V49-L62 HydrophobicContact CG1-CD1 4.09Å; V49-L62 HydrophobicContact CG2-CD1 3.4Å; L62-Y67 HydrophobicContact CB-CE2 4.06Å; L62-Y67 HydrophobicContact CD2-CD2 3.85Å; L62-Y67 HydrophobicContact CD2-CE2 3.87Å; L62-Y67 HydrophobicContact CD2-CG 4.21Å; L62-Y67 HydrophobicContact CG-CE1 4.5Å; L62-Y67 HydrophobicContact CG-CE2 4.18Å; L62-W73 HydrophobicContact CD1-CB 4.14Å; L62-W73 HydrophobicContact CD2-CB 4.13Å; L62-W73 HydrophobicContact CD2-CE3 4.49Å; L62-W73 HydrophobicContact CD2-CG 4.48Å; L62-W73 HydrophobicContact CG-CB 4.03Å
63	P	93.6	Very high	96.3	Very high	39 Å²	39	54.9 Å²	54.9	25%	0.253	27%	0.273	S	S	.	.			trans	-59.3	171.5	162.5	-23.1	34.6	0	0	0	112.2	G65 Y67	P63-G65 PolarHBondContact O-N 3.4Å; P63-Y67 WeakPolarHBondContact CD-OH 3.32Å; P63-Y67 PolarHBondContact O-OH 2.94Å
64	Q	94.6	Very high	96.2	Very high	128 Å²	128	57 Å²	57	60%	0.598	28%	0.281	S	S	*	.	S	Bend	trans	-55.8	132.8	173.4	-170.6	179.5	-27.7	0	0	111	V42 E43 G45	V42-Q64 VanDerWaalsContact O-CG 3.32Å; V42-Q64 WeakPolarHBondContact O-CG 3.48Å; E43-Q64 PolarHBondContact O-NE2 3.06Å; G45-Q64 PolarHBondContact O-N 3.42Å
65	G	96.4	Very high	96.1	Very high	26 Å²	26	51.9 Å²	51.9	27%	0.268	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	156.1	-179.1	-177.3	0	0	0	0	0	114.3	V42 P63	V42-G65 PolarHBondContact N-O 2.83Å; V42-G65 PolarHBondContact O-N 3.36Å; P63-G65 PolarHBondContact O-N 3.4Å
66	E	98.4	Very high	96	Very high	119 Å²	119	53.9 Å²	53.9	56%	0.556	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.3	179.3	-65	-161.3	152.6	0	0	110.8	F16 K41 P68	F16-E66 HydrophobicContact CZ-CB 3.82Å; F16-E66 HydrophobicContact CZ-CG 4.48Å; K41-E66 WeakPolarHBondContact CE-OE1 3.39Å; K41-E66 HydrophobicContact CG-CG 4.35Å; K41-E66 IonicContact NZ-OE1 3.44Å; K41-E66 PolarHBondContact NZ-OE1 2.81Å; E66-P68 WeakPolarHBondContact O-CD 3.28Å
67	Y	98.4	Very high	96.1	Very high	34 Å²	34	54.2 Å²	54.2	13%	0.133	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	89.2	-177.5	-56.4	-94.1	0	0	0	109.7	S39 I40 V42 L62 P63 E69 R72 W73	S39-Y67 CarbonylContact C-O 3.54Å; S39-Y67 VanDerWaalsContact CA-O 3.24Å; S39-Y67 WeakPolarHBondContact CA-O 3.14Å; S39-Y67 VanDerWaalsContact CB-O 3.26Å; S39-Y67 WeakPolarHBondContact CB-O 3.5Å; I40-Y67 PolarHBondContact N-O 2.77Å; I40-Y67 WeakPolarHBondContact O-CA 3.46Å; I40-Y67 WeakPolarHBondContact O-CB 3.45Å; I40-Y67 PolarHBondContact O-N 3.03Å; V42-Y67 HydrophobicContact CG2-CD2 4.48Å; V42-Y67 HydrophobicContact CG2-CE2 4.03Å; L62-Y67 HydrophobicContact CB-CE2 4.06Å; L62-Y67 HydrophobicContact CD2-CD2 3.85Å; L62-Y67 HydrophobicContact CD2-CE2 3.87Å; L62-Y67 HydrophobicContact CD2-CG 4.21Å; L62-Y67 HydrophobicContact CG-CE1 4.5Å; L62-Y67 HydrophobicContact CG-CE2 4.18Å; P63-Y67 WeakPolarHBondContact CD-OH 3.32Å; P63-Y67 PolarHBondContact O-OH 2.94Å; Y67-E69 PolarHBondContact O-N 2.82Å; Y67-R72 HydrophobicContact CD1-CB 4.02Å; Y67-W73 HydrophobicContact CD1-CB 4.17Å; Y67-W73 HydrophobicContact CD1-CE3 4.41Å; Y67-W73 HydrophobicContact CE1-CB 4.46Å; Y67-W73 HydrophobicContact CG-CE3 4.15Å
68	P	98.4	Very high	96.2	Very high	33 Å²	33	55.6 Å²	55.6	21%	0.214	27%	0.269	C	S	.	.	S	Bend	trans	-70.1	-14.5	-172.4	25.5	-35.9	0	0	0	114.7	N15 F16 S39 E66 R72	N15-P68 PolarHBondContact N-O 2.94Å; N15-P68 WeakPolarHBondContact OD1-CB 3.45Å; F16-P68 HydrophobicContact CE2-CB 4.27Å; F16-P68 HydrophobicContact CZ-CB 3.95Å; S39-P68 VanDerWaalsContact CB-O 3.29Å; S39-P68 WeakPolarHBondContact CB-O 3.28Å; E66-P68 WeakPolarHBondContact O-CD 3.28Å; P68-R72 HydrophobicContact CG-CG 4.22Å
69	E	98	Very high	96.3	Very high	56 Å²	56	59.3 Å²	59.3	26%	0.262	28%	0.282	S	S	.	.	S	Bend	trans	-148.3	151.6	-179	-56	-171.7	-130.4	0	0	110.3	K14 N38 Y67 Q71 R72	K14-E69 HydrophobicContact CB-CG 4.47Å; K14-E69 HydrophobicContact CD-CG 4.04Å; K14-E69 HydrophobicContact CG-CG 4.29Å; K14-E69 IonicContact NZ-OE2 2.66Å; K14-E69 PolarHBondContact NZ-OE2 2.92Å; N38-E69 CarbonylContact O-C 3.56Å; N38-E69 WeakPolarHBondContact O-CA 3.45Å; Y67-E69 PolarHBondContact O-N 2.82Å; E69-Q71 PolarHBondContact O-N 3.26Å; E69-Q71 VanDerWaalsContact O-N 3.15Å; E69-R72 HydrophobicContact CB-CG 4.39Å; E69-R72 VanDerWaalsContact O-CB 3.23Å; E69-R72 WeakPolarHBondContact O-CB 3.41Å; E69-R72 WeakPolarHBondContact O-CG 3.35Å; E69-R72 PolarHBondContact O-N 2.93Å
70	Y	97.3	Very high	96.4	Very high	57 Å²	57	58.9 Å²	58.9	22%	0.224	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-62.3	-25.7	-176.9	67.7	-103.5	0	0	0	114.8	N38 R72 W73 M74 G75 D78	N38-Y70 PolarHBondContact O-N 2.82Å; N38-Y70 VanDerWaalsContact O-N 3.14Å; N38-Y70 WeakPolarHBondContact OD1-CD1 3.47Å; Y70-R72 PolarHBondContact O-N 3.42Å; Y70-W73 VanDerWaalsContact CA-CE2 3.4Å; Y70-W73 PolarHBondContact O-N 3.09Å; Y70-M74 PolarHBondContact O-N 2.86Å; Y70-G75 WeakPolarHBondContact CD2-O 3.38Å; Y70-G75 PolarHBondContact O-N 3.2Å; Y70-D78 HydrophobicContact CD1-CB 3.96Å; Y70-D78 HydrophobicContact CE1-CB 4.34Å
71	Q	96.2	Very high	96.4	Very high	90 Å²	90	59.4 Å²	59.4	42%	0.421	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-61.9	-24.4	173.1	-65.4	83.7	-8.1	0	0	112.1	E69 W73 M74	E69-Q71 PolarHBondContact O-N 3.26Å; E69-Q71 VanDerWaalsContact O-N 3.15Å; Q71-W73 VanDerWaalsContact C-N 3.34Å; Q71-W73 PolarHBondContact O-N 3.07Å; Q71-M74 PolarHBondContact O-N 2.92Å; Q71-M74 VanDerWaalsContact O-N 3.07Å
72	R	96.7	Very high	96.5	Very high	167 Å²	167	59 Å²	59	63%	0.63	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-73.1	-23.8	-178.6	-60.5	-64.6	-176.2	179.7	0.1	113.3	Y67 P68 E69 Y70	Y67-R72 HydrophobicContact CD1-CB 4.02Å; P68-R72 HydrophobicContact CG-CG 4.22Å; E69-R72 HydrophobicContact CB-CG 4.39Å; E69-R72 VanDerWaalsContact O-CB 3.23Å; E69-R72 WeakPolarHBondContact O-CB 3.41Å; E69-R72 WeakPolarHBondContact O-CG 3.35Å; E69-R72 PolarHBondContact O-N 2.93Å; Y70-R72 PolarHBondContact O-N 3.42Å
73	W	95.5	Very high	96.6	Very high	5 Å²	5	59 Å²	59	2%	0.019	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-100.3	14.7	167.4	62.1	82.3	0	0	0	112.8	I40 Y60 L62 Y67 Y70 Q71 G75 L80	I40-W73 HydrophobicContact CB-CE3 4.44Å; I40-W73 HydrophobicContact CB-CZ3 4.02Å; I40-W73 HydrophobicContact CD1-CD2 4.21Å; I40-W73 HydrophobicContact CD1-CE3 4.02Å; I40-W73 HydrophobicContact CD1-CH2 3.81Å; I40-W73 HydrophobicContact CD1-CZ2 3.98Å; I40-W73 HydrophobicContact CD1-CZ3 3.84Å; I40-W73 HydrophobicContact CG1-CE3 4.31Å; I40-W73 HydrophobicContact CG1-CH2 3.79Å; I40-W73 HydrophobicContact CG1-CZ2 4.44Å; I40-W73 HydrophobicContact CG1-CZ3 3.73Å; Y60-W73 WeakPolarHBondContact CD1-O 3.46Å; Y60-W73 AromaticContact CG-CD1 3.93Å; L62-W73 HydrophobicContact CD1-CB 4.14Å; L62-W73 HydrophobicContact CD2-CB 4.13Å; L62-W73 HydrophobicContact CD2-CE3 4.49Å; L62-W73 HydrophobicContact CD2-CG 4.48Å; L62-W73 HydrophobicContact CG-CB 4.03Å; Y67-W73 HydrophobicContact CD1-CB 4.17Å; Y67-W73 HydrophobicContact CD1-CE3 4.41Å; Y67-W73 HydrophobicContact CE1-CB 4.46Å; Y67-W73 HydrophobicContact CG-CE3 4.15Å; Y70-W73 VanDerWaalsContact CA-CE2 3.4Å; Y70-W73 PolarHBondContact O-N 3.09Å; Q71-W73 VanDerWaalsContact C-N 3.34Å; Q71-W73 PolarHBondContact O-N 3.07Å; W73-G75 PolarHBondContact O-N 3.41Å; W73-L80 HydrophobicContact CZ2-CD1 4.15Å
74	M	95.1	Very high	96.7	Very high	87 Å²	87	61.8 Å²	61.8	43%	0.429	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	28.4	-175.8	-52.9	168.7	-82.1	0	0	113.4	Y60 Y70 Q71 L76 Q149	Y60-M74 VanDerWaalsContact CE1-O 3.29Å; Y60-M74 WeakPolarHBondContact CE1-O 3.42Å; Y70-M74 PolarHBondContact O-N 2.86Å; Q71-M74 PolarHBondContact O-N 2.92Å; Q71-M74 VanDerWaalsContact O-N 3.07Å; M74-L76 PolarHBondContact O-N 2.99Å; M74-Q149 VanDerWaalsContact CE-NE2 3.28Å
75	G	94.9	Very high	96.8	Very high	10 Å²	10	56.1 Å²	56.1	10%	0.103	26%	0.263	C	S	.	.			trans	-59.7	134.3	174.7	0	0	0	0	0	111.7	Y70 W73 N77	Y70-G75 WeakPolarHBondContact CD2-O 3.38Å; Y70-G75 PolarHBondContact O-N 3.2Å; W73-G75 PolarHBondContact O-N 3.41Å; G75-N77 VanDerWaalsContact C-N 3.3Å
76	L	94.2	Very high	96.6	Very high	109 Å²	109	55.3 Å²	55.3	57%	0.571	25%	0.253	S	S	*	.	S	Bend	trans	-70.7	-29.6	172	-69.7	174.6	0	0	0	112.4	Y58 Y60 M74	Y58-L76 HydrophobicContact CD1-CD1 3.78Å; Y58-L76 HydrophobicContact CD2-CD1 3.68Å; Y58-L76 HydrophobicContact CE1-CD1 3.5Å; Y58-L76 HydrophobicContact CE2-CD1 3.39Å; Y58-L76 HydrophobicContact CG-CD1 3.86Å; Y60-L76 PolarHBondContact OH-N 2.88Å; Y60-L76 VanDerWaalsContact OH-N 3.12Å; M74-L76 PolarHBondContact O-N 2.99Å
77	N	95.7	Very high	96	Very high	43 Å²	43	56.7 Å²	56.7	23%	0.23	26%	0.26	C	S	.	.	S	Bend	trans	-154.6	-177.5	179.1	59.9	51.6	0	0	0	109.2	E51 G75 R79	E51-N77 PolarHBondContact OE1-ND2 2.87Å; G75-N77 VanDerWaalsContact C-N 3.3Å; N77-R79 VanDerWaalsContact C-N 3.33Å; N77-R79 WeakPolarHBondContact OD1-CA 3.2Å; N77-R79 WeakPolarHBondContact OD1-CB 3.34Å; N77-R79 PolarHBondContact OD1-N 2.92Å
78	D	96.6	Very high	95.3	Very high	45 Å²	45	57 Å²	57	24%	0.241	26%	0.263	C	S	.	.	S	Bend	trans	-91.6	17.5	179.8	65.9	-18.7	0	0	0	113.6	R36 C37 N38 Y70	R36-D78 CarbonylContact C-O 3.59Å; C37-D78 PolarHBondContact N-O 3.03Å; C37-D78 CarbonylContact O-C 3.58Å; C37-D78 WeakPolarHBondContact O-CA 3.43Å; C37-D78 WeakPolarHBondContact O-CB 3.45Å; N38-D78 PolarHBondContact ND2-OD2 3.33Å; Y70-D78 HydrophobicContact CD1-CB 3.96Å; Y70-D78 HydrophobicContact CE1-CB 4.34Å
79	R	97.1	Very high	94.3	Very high	164 Å²	164	58.2 Å²	58.2	62%	0.619	27%	0.271	S	S	*	.			trans	-92.9	120.1	177	-58.6	-177.3	178.2	172.5	-1.1	110	E51 N77	E51-R79 WeakPolarHBondContact CA-O 3.46Å; E51-R79 HydrophobicContact CG-CB 4.25Å; N77-R79 VanDerWaalsContact C-N 3.33Å; N77-R79 WeakPolarHBondContact OD1-CA 3.2Å; N77-R79 WeakPolarHBondContact OD1-CB 3.34Å; N77-R79 PolarHBondContact OD1-N 2.92Å
80	L	97.9	Very high	93	Very high	6 Å²	6	61.9 Å²	61.9	3%	0.031	30%	0.303	C	S	.	.			trans	-139.7	143.4	166.4	-66.1	174.2	0	0	0	107.4	F10 F30 C37 I40 V49 Y50 Y60 W73	F10-L80 HydrophobicContact CD1-CD1 4.48Å; F10-L80 HydrophobicContact CE1-CD1 4.39Å; F30-L80 VanDerWaalsContact CE2-C 3.49Å; F30-L80 HydrophobicContact CE2-CB 4.21Å; F30-L80 WeakPolarHBondContact CE2-O 3.43Å; F30-L80 HydrophobicContact CZ-CB 3.86Å; C37-L80 HydrophobicContact CB-CB 4.26Å; C37-L80 HydrophobicContact CB-CD1 4.17Å; C37-L80 HydrophobicContact CB-CG 4.47Å; I40-L80 HydrophobicContact CD1-CD1 3.7Å; V49-L80 HydrophobicContact CB-CD1 4.23Å; V49-L80 HydrophobicContact CB-CD2 4.21Å; V49-L80 HydrophobicContact CG2-CD1 3.86Å; V49-L80 HydrophobicContact CG2-CD2 3.81Å; Y50-L80 WeakPolarHBondContact O-CA 3.23Å; Y60-L80 HydrophobicContact CD2-CD2 4.05Å; Y60-L80 HydrophobicContact CE2-CD2 4.15Å; W73-L80 HydrophobicContact CZ2-CD1 4.15Å
81	S	97.6	Very high	91.9	Very high	20 Å²	20	62.4 Å²	62.4	14%	0.14	33%	0.325	C	S	.	.			trans	-139.2	-12.5	-179.1	-44.4	0	0	0	0	114.1	D29 F30 Y50 E51	D29-S81 CarbonylContact C-O 3.54Å; D29-S81 VanDerWaalsContact CA-O 3.24Å; D29-S81 WeakPolarHBondContact CA-O 3.48Å; F30-S81 VanDerWaalsContact CD1-O 3.31Å; F30-S81 WeakPolarHBondContact CD1-O 3.22Å; F30-S81 VanDerWaalsContact CZ-C 3.5Å; F30-S81 PolarHBondContact N-O 3.02Å; Y50-S81 PolarHBondContact O-N 3.07Å; E51-S81 PolarHBondContact O-N 3.03Å; E51-S81 PolarHBondContact O-OG 3.26Å; E51-S81 VanDerWaalsContact O-OG 3.07Å
82	S	98.3	Very high	91.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	156.5	176	62.5	0	0	0	0	112.3	C27 A28 F30 Y50 R52 F55	C27-S82 CarbonylContact O-C 3.59Å; C27-S82 VanDerWaalsContact O-CA 3.23Å; C27-S82 WeakPolarHBondContact O-CA 3.32Å; C27-S82 VanDerWaalsContact O-CB 3.22Å; C27-S82 WeakPolarHBondContact O-CB 3.38Å; A28-S82 VanDerWaalsContact O-CB 3.23Å; A28-S82 WeakPolarHBondContact O-CB 3.4Å; F30-S82 VanDerWaalsContact CE1-C 3.49Å; F30-S82 VanDerWaalsContact CE1-CA 3.42Å; F30-S82 VanDerWaalsContact CE1-N 3.26Å; Y50-S82 WeakPolarHBondContact CB-OG 3.3Å; Y50-S82 PolarHBondContact N-O 2.83Å; Y50-S82 PolarHBondContact O-N 3.23Å; R52-S82 PolarHBondContact O-OG 3.11Å; F55-S82 WeakPolarHBondContact CA-OG 3.22Å; F55-S82 PolarHBondContact N-OG 2.99Å
83	C	97.9	Very high	90.8	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154.9	-179.5	64.4	0	0	0	0	112.5	F10 C27 F30 W47 A48 V49	F10-C83 HydrophobicContact CE2-CB 4.42Å; F10-C83 HydrophobicContact CZ-CB 3.72Å; C27-C83 PolarHBondContact N-O 3.19Å; C27-C83 PolarHBondContact O-N 3.13Å; F30-C83 HydrophobicContact CE1-CB 4.23Å; W47-C83 HydrophobicContact CE3-CB 4.19Å; W47-C83 HydrophobicContact CZ3-CB 4.5Å; A48-C83 CarbonylContact O-C 3.54Å; A48-C83 WeakPolarHBondContact O-CA 3.28Å; V49-C83 HydrophobicContact CB-CB 4.46Å; V49-C83 HydrophobicContact CG1-CB 3.96Å
84	R	96.6	Very high	90.8	Very high	99 Å²	99	60.7 Å²	60.7	37%	0.374	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	140.7	177.8	-60.2	-175.4	67.7	-165.9	-5.5	111.1	D26 W47 A48 Y50 F55	D26-R84 HydrophobicContact CB-CG 4.31Å; D26-R84 WeakPolarHBondContact OD1-CA 3.3Å; D26-R84 IonicContact OD2-CZ 3.58Å; D26-R84 IonicContact OD2-NE 3.68Å; D26-R84 PolarHBondContact OD2-NE 2.91Å; D26-R84 IonicContact OD2-NH2 3.94Å; W47-R84 CarbonylContact C-O 3.54Å; W47-R84 WeakPolarHBondContact CA-O 3.14Å; W47-R84 VanDerWaalsContact CE3-C 3.42Å; A48-R84 PolarHBondContact N-O 2.73Å; A48-R84 PolarHBondContact O-N 3.41Å; Y50-R84 HydrophobicContact CE2-CG 4.25Å; F55-R84 VanDerWaalsContact CD1-CD 3.49Å; F55-R84 HydrophobicContact CD1-CG 3.42Å; F55-R84 VanDerWaalsContact CD1-CG 3.42Å; F55-R84 HydrophobicContact CE1-CG 3.19Å; F55-R84 HydrophobicContact CE2-CG 4.45Å; F55-R84 HydrophobicContact CG-CG 4.15Å; F55-R84 HydrophobicContact CZ-CG 3.76Å
85	A	94.8	Very high	90.9	Very high	8 Å²	8	59.8 Å²	59.8	7%	0.066	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	132.8	168.9	0	0	0	0	0	109.2	T6 D26 W47	T6-A85 HydrophobicContact CG2-CB 4.01Å; D26-A85 PolarHBondContact OD1-N 2.85Å; W47-A85 HydrophobicContact CD2-CB 4.5Å; W47-A85 HydrophobicContact CE3-CB 4.4Å; W47-A85 HydrophobicContact CH2-CB 4.28Å; W47-A85 HydrophobicContact CZ2-CB 4.35Å; W47-A85 HydrophobicContact CZ3-CB 4.29Å
86	V	92.1	Very high	91.1	Very high	10 Å²	10	59.3 Å²	59.3	6%	0.061	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	117.7	175	179.7	0	0	0	0	108.2	T46 A48 I61 L88 V136 L151 I176	T46-V86 HydrophobicContact CG2-CB 4.16Å; T46-V86 HydrophobicContact CG2-CG2 4.09Å; T46-V86 WeakPolarHBondContact O-CB 3.2Å; T46-V86 PolarHBondContact O-N 2.9Å; A48-V86 HydrophobicContact CB-CG2 4.16Å; I61-V86 HydrophobicContact CD1-CG2 4.49Å; V86-L88 HydrophobicContact CG1-CD2 4.12Å; V86-L88 PolarHBondContact O-N 2.79Å; V86-V136 HydrophobicContact CG1-CG1 4.2Å; V86-L151 HydrophobicContact CG2-CD2 4.39Å; V86-I176 HydrophobicContact CG1-CD1 4.12Å
87	H	86.4	Confident	91.3	Very high	148 Å²	148	55.7 Å²	55.7	69%	0.685	31%	0.308	S	S	*	.			trans	-84.8	109.4	176.9	-63.6	-52.6	0	0	0	110.5
88	L	83.6	Confident	91.5	Very high	40 Å²	40	53.8 Å²	53.8	21%	0.209	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-82.5	126.7	174.8	-61.9	-178	0	0	0	110.7	V86 V136 I176 E178	V86-L88 HydrophobicContact CG1-CD2 4.12Å; V86-L88 PolarHBondContact O-N 2.79Å; L88-V136 HydrophobicContact CD2-CB 4.26Å; L88-V136 HydrophobicContact CD2-CG2 4.28Å; L88-I176 HydrophobicContact CD2-CB 3.97Å; L88-I176 HydrophobicContact CD2-CG2 3.78Å; L88-I176 WeakPolarHBondContact CD2-O 3.48Å; L88-E178 HydrophobicContact CD1-CB 3.84Å; L88-E178 HydrophobicContact CD1-CG 3.54Å
89	P	78.4	Confident	91.6	Very high	59 Å²	59	52.3 Å²	52.3	38%	0.383	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-66.9	140.5	177.6	24.5	-30.5	0	0	0	111.2	G91 V136	P89-G91 PolarHBondContact O-N 2.89Å; P89-V136 HydrophobicContact CG-CG2 4.47Å
90	S	70.9	Confident	91.5	Very high	133 Å²	133	49 Å²	49	93%	0.93	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	125.2	177.1	-51	0	0	0	0	110.4
91	G	72.9	Confident	91.6	Very high	67 Å²	67	54.4 Å²	54.4	69%	0.691	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	135.9	-12.9	175.3	0	0	0	0	0	115.2	P89 Q93	P89-G91 PolarHBondContact O-N 2.89Å; G91-Q93 PolarHBondContact O-N 2.81Å
92	G	79.3	Confident	91.6	Very high	57 Å²	57	54.7 Å²	54.7	59%	0.588	31%	0.31	S	S	*	.			trans	61.6	12.2	172	0	0	0	0	0	115.3	Y94	G92-Y94 VanDerWaalsContact O-CD2 3.28Å; G92-Y94 WeakPolarHBondContact O-CD2 3.39Å; G92-Y94 WeakPolarHBondContact O-CE2 3.41Å
93	Q	90.9	Very high	91.6	Very high	133 Å²	133	59 Å²	59	62%	0.621	33%	0.333	S	S	*	.			trans	-86.9	138.3	176.8	-67.1	-175.8	-6.8	0	0	109.6	G91 E134 G135	G91-Q93 PolarHBondContact O-N 2.81Å; Q93-E134 HydrophobicContact CB-CB 4.14Å; Q93-E134 HydrophobicContact CB-CG 4.29Å; Q93-E134 CarbonylContact O-C 3.54Å; Q93-E134 WeakPolarHBondContact O-CB 3.46Å; Q93-G135 WeakPolarHBondContact O-CA 3.35Å; Q93-G135 PolarHBondContact O-N 2.99Å
94	Y	95.9	Very high	91.6	Very high	36 Å²	36	60.5 Å²	60.5	14%	0.141	34%	0.34	C	S	.	.			trans	-133	128.9	177.9	-65.6	-93.7	0	0	0	108.5	G92 T112 E134 R175 I176 V177	G92-Y94 VanDerWaalsContact O-CD2 3.28Å; G92-Y94 WeakPolarHBondContact O-CD2 3.39Å; G92-Y94 WeakPolarHBondContact O-CE2 3.41Å; Y94-T112 WeakPolarHBondContact O-CA 3.45Å; Y94-T112 VanDerWaalsContact O-CB 3.31Å; Y94-T112 WeakPolarHBondContact O-CB 3.5Å; Y94-T112 VanDerWaalsContact O-CG2 3.29Å; Y94-T112 WeakPolarHBondContact O-CG2 3.39Å; Y94-E134 WeakPolarHBondContact CA-O 3.3Å; Y94-R175 VanDerWaalsContact CB-CD 3.43Å; Y94-R175 HydrophobicContact CD1-CB 3.62Å; Y94-R175 HydrophobicContact CD1-CG 3.52Å; Y94-R175 HydrophobicContact CD2-CG 4.45Å; Y94-R175 HydrophobicContact CE1-CB 3.79Å; Y94-R175 HydrophobicContact CE1-CG 4.23Å; Y94-R175 HydrophobicContact CG-CB 4.1Å; Y94-R175 VanDerWaalsContact CG-CD 3.45Å; Y94-R175 HydrophobicContact CG-CG 3.66Å; Y94-I176 WeakPolarHBondContact CE1-O 3.41Å; Y94-I176 PolarHBondContact OH-O 2.81Å; Y94-V177 HydrophobicContact CE2-CG1 3.94Å
95	K	97.8	Very high	91.7	Very high	69 Å²	69	60.2 Å²	60.2	30%	0.3	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	129.6	175.1	-176.9	179.6	-72.6	-138.9	0	109.9	E110 L133 E134	K95-E110 HydrophobicContact CD-CG 4.3Å; K95-E110 WeakPolarHBondContact CD-OE1 3.34Å; K95-E110 WeakPolarHBondContact CE-OE1 3.43Å; K95-E110 HydrophobicContact CG-CG 4.04Å; K95-E110 IonicContact NZ-OE1 2.77Å; K95-E110 PolarHBondContact NZ-OE1 2.89Å; K95-L133 HydrophobicContact CB-CB 4.1Å; K95-L133 HydrophobicContact CD-CB 4.11Å; K95-L133 HydrophobicContact CD-CD1 3.54Å; K95-L133 HydrophobicContact CD-CG 4.42Å; K95-L133 HydrophobicContact CG-CB 4.06Å; K95-L133 HydrophobicContact CG-CD1 3.91Å; K95-L133 HydrophobicContact CG-CG 4.43Å; K95-L133 PolarHBondContact O-N 2.67Å; K95-E134 HydrophobicContact CB-CB 4.19Å; K95-E134 PolarHBondContact N-O 2.82Å; K95-E134 PolarHBondContact O-N 3.46Å
96	I	98.6	Very high	91.8	Very high	0 Å²	0	62 Å²	62	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.7	177.1	-167.6	170.5	0	0	0	110.5	I98 E110 T111 K131 V132 W137 F139 F173	I96-I98 HydrophobicContact CD1-CG2 4.27Å; I96-I98 HydrophobicContact CG1-CG2 4.24Å; I96-E110 WeakPolarHBondContact O-CA 3.3Å; I96-T111 HydrophobicContact CG2-CG2 3.82Å; I96-T111 PolarHBondContact N-O 2.91Å; I96-T111 PolarHBondContact O-N 2.79Å; I96-K131 WeakPolarHBondContact CA-O 3.35Å; I96-V132 HydrophobicContact CD1-CG2 4.08Å; I96-V132 HydrophobicContact CG1-CG2 4.26Å; I96-W137 HydrophobicContact CB-CD2 4.16Å; I96-W137 HydrophobicContact CB-CH2 4.35Å; I96-W137 HydrophobicContact CB-CZ2 3.88Å; I96-W137 HydrophobicContact CD1-CB 4.46Å; I96-W137 HydrophobicContact CD1-CD2 4.31Å; I96-W137 HydrophobicContact CD1-CG 4.23Å; I96-W137 HydrophobicContact CG2-CD2 4.16Å; I96-W137 HydrophobicContact CG2-CE3 4.1Å; I96-W137 HydrophobicContact CG2-CH2 3.65Å; I96-W137 HydrophobicContact CG2-CZ2 3.7Å; I96-W137 HydrophobicContact CG2-CZ3 3.87Å; I96-F139 HydrophobicContact CD1-CE1 3.61Å; I96-F139 HydrophobicContact CD1-CZ 3.92Å; I96-F173 HydrophobicContact CG2-CD2 4.48Å; I96-F173 HydrophobicContact CG2-CE2 3.94Å; I96-F173 HydrophobicContact CG2-CZ 4.39Å
97	Q	98.7	Very high	92	Very high	33 Å²	33	66.3 Å²	66.3	15%	0.154	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.7	168	-64.8	179.4	-23	0	0	109	F99 M108 Y109 E110 C130 K131 L133	Q97-F99 HydrophobicContact CB-CE2 3.76Å; Q97-F99 HydrophobicContact CB-CZ 4.27Å; Q97-M108 HydrophobicContact CB-CG 4.45Å; Q97-M108 HydrophobicContact CB-SD 4.21Å; Q97-M108 HydrophobicContact CG-SD 4.09Å; Q97-Y109 CarbonylContact C-O 3.57Å; Q97-Y109 VanDerWaalsContact CA-O 3.31Å; Q97-Y109 WeakPolarHBondContact CA-O 3.48Å; Q97-E110 HydrophobicContact CG-CB 4.05Å; Q97-E110 HydrophobicContact CG-CG 4.01Å; Q97-E110 PolarHBondContact NE2-OE2 3.21Å; Q97-C130 CarbonylContact O-C 3.56Å; Q97-C130 WeakPolarHBondContact O-CA 3.33Å; Q97-C130 WeakPolarHBondContact O-CB 3.41Å; Q97-K131 HydrophobicContact CB-CB 4.32Å; Q97-K131 PolarHBondContact N-O 2.89Å; Q97-K131 PolarHBondContact O-N 3.27Å; Q97-L133 HydrophobicContact CG-CD1 3.87Å; Q97-L133 HydrophobicContact CG-CG 4.4Å
98	I	98.6	Very high	92.6	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.01	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	144	177.4	60.4	171.5	0	0	0	109.8	I96 M108 Y109 F122 I127 C130 F139 F173	I96-I98 HydrophobicContact CD1-CG2 4.27Å; I96-I98 HydrophobicContact CG1-CG2 4.24Å; I98-M108 WeakPolarHBondContact O-CA 3.45Å; I98-Y109 PolarHBondContact N-O 2.75Å; I98-Y109 PolarHBondContact O-N 3.08Å; I98-F122 HydrophobicContact CD1-CD2 3.72Å; I98-F122 HydrophobicContact CD1-CE2 3.81Å; I98-F122 HydrophobicContact CD1-CG 4.43Å; I98-I127 HydrophobicContact CB-CD1 3.99Å; I98-I127 HydrophobicContact CB-CG1 4.39Å; I98-I127 HydrophobicContact CB-CG2 4.28Å; I98-I127 HydrophobicContact CD1-CD1 3.91Å; I98-I127 HydrophobicContact CD1-CG1 4.44Å; I98-I127 HydrophobicContact CG2-CD1 3.82Å; I98-I127 HydrophobicContact CG2-CG2 4.48Å; I98-C130 HydrophobicContact CG2-CB 4.16Å; I98-F139 HydrophobicContact CG2-CZ 4.1Å; I98-F173 HydrophobicContact CD1-CE1 4.03Å
99	F	98.6	Very high	93.3	Very high	15 Å²	15	64.3 Å²	64.3	7%	0.066	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.5	-173.3	-63.9	-101.1	0	0	0	111.2	Q97 K101 F104 Q107 M108 H128 S129 K131	Q97-F99 HydrophobicContact CB-CE2 3.76Å; Q97-F99 HydrophobicContact CB-CZ 4.27Å; F99-K101 VanDerWaalsContact C-N 3.31Å; F99-K101 PolarHBondContact O-N 3.22Å; F99-F104 HydrophobicContact CD1-CB 4.07Å; F99-F104 VanDerWaalsContact CD1-O 3.32Å; F99-F104 WeakPolarHBondContact CD1-O 3.38Å; F99-F104 HydrophobicContact CD2-CB 4.38Å; F99-F104 HydrophobicContact CD2-CD1 4.02Å; F99-F104 HydrophobicContact CE1-CB 3.82Å; F99-F104 VanDerWaalsContact CE1-O 3.3Å; F99-F104 WeakPolarHBondContact CE1-O 3.38Å; F99-F104 HydrophobicContact CE2-CB 4.18Å; F99-F104 AromaticContact CE2-CD1 3.96Å; F99-F104 HydrophobicContact CE2-CD1 3.96Å; F99-F104 HydrophobicContact CE2-CG 4.47Å; F99-F104 HydrophobicContact CG-CB 4.34Å; F99-F104 HydrophobicContact CZ-CB 3.89Å; F99-F104 HydrophobicContact CZ-CD1 4.48Å; F99-Q107 WeakPolarHBondContact CA-O 3.41Å; F99-M108 HydrophobicContact CD1-CB 3.77Å; F99-M108 HydrophobicContact CD1-CG 3.79Å; F99-M108 HydrophobicContact CD2-CG 4.44Å; F99-M108 HydrophobicContact CE1-CB 3.65Å; F99-M108 HydrophobicContact CE1-CG 3.32Å; F99-M108 HydrophobicContact CE2-CG 4.03Å; F99-M108 HydrophobicContact CG-CG 4.33Å; F99-M108 HydrophobicContact CZ-CB 4.29Å; F99-M108 HydrophobicContact CZ-CG 3.45Å; F99-M108 VanDerWaalsContact CZ-CG 3.45Å; F99-H128 PolarHBondContact O-N 2.85Å; F99-H128 VanDerWaalsContact O-N 3.16Å; F99-S129 WeakPolarHBondContact CB-O 2.93Å; F99-S129 VanDerWaalsContact CB-OG 3.3Å; F99-S129 WeakPolarHBondContact CB-OG 3.42Å; F99-S129 PolarHBondContact N-O 2.86Å; F99-K131 HydrophobicContact CE2-CD 4.46Å; F99-K131 HydrophobicContact CE2-CG 4.1Å
100	E	96.9	Very high	94.2	Very high	94 Å²	94	65.7 Å²	65.7	44%	0.439	37%	0.374	S	S	.	.	S	Bend	trans	-66.3	-31.3	178	-173.4	-170.2	-160.8	0	0	112.7	Q107 M124 H128	E100-Q107 HydrophobicContact CB-CB 4.18Å; E100-Q107 PolarHBondContact N-O 2.96Å; E100-M124 HydrophobicContact CB-CE 3.99Å; E100-H128 PolarHBondContact O-CD2 2.88Å
101	K	98.1	Very high	95.5	Very high	119 Å²	119	60.2 Å²	60.2	52%	0.517	34%	0.335	S	S	.	.	S	Bend	trans	-118.8	165.6	-179.5	-57.6	-179.3	-179.7	177.8	0	111.6	F99 N105 S129	F99-K101 VanDerWaalsContact C-N 3.31Å; F99-K101 PolarHBondContact O-N 3.22Å; K101-N105 HydrophobicContact CB-CB 4.07Å; K101-N105 WeakPolarHBondContact CB-O 3.38Å; K101-N105 PolarHBondContact N-O 3.22Å; K101-N105 VanDerWaalsContact N-O 3.1Å; K101-S129 PolarHBondContact O-OG 3.15Å
102	G	98.1	Very high	96.7	Very high	26 Å²	26	60 Å²	60	27%	0.268	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-62.9	162.3	173.6	0	0	0	0	0	112.2	F104 N105	G102-F104 PolarHBondContact O-N 2.92Å; G102-N105 WeakPolarHBondContact O-CB 3.4Å; G102-N105 PolarHBondContact O-N 3.24Å; G102-N105 PolarHBondContact O-ND2 3.3Å
103	D	98.3	Very high	97.5	Very high	90 Å²	90	61.7 Å²	61.7	48%	0.481	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	55.6	34.5	175.8	-66.7	-69	0	0	0	114.3	N105 R158	D103-N105 VanDerWaalsContact C-N 3.32Å; D103-N105 PolarHBondContact O-N 3.49Å; D103-N105 PolarHBondContact O-ND2 2.89Å; D103-N105 VanDerWaalsContact O-ND2 3.09Å; D103-R158 PolarHBondContact N-O 3.31Å; D103-R158 IonicContact OD1-NH1 2.71Å
104	F	98.4	Very high	97.9	Very high	33 Å²	33	57.9 Å²	57.9	15%	0.145	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	63.2	32.9	177.6	-39.3	-55.6	0	0	0	114.2	F99 G102 S129 C130 K131 E156 Y157 R158	F99-F104 HydrophobicContact CD1-CB 4.07Å; F99-F104 VanDerWaalsContact CD1-O 3.32Å; F99-F104 WeakPolarHBondContact CD1-O 3.38Å; F99-F104 HydrophobicContact CD2-CB 4.38Å; F99-F104 HydrophobicContact CD2-CD1 4.02Å; F99-F104 HydrophobicContact CE1-CB 3.82Å; F99-F104 VanDerWaalsContact CE1-O 3.3Å; F99-F104 WeakPolarHBondContact CE1-O 3.38Å; F99-F104 HydrophobicContact CE2-CB 4.18Å; F99-F104 AromaticContact CE2-CD1 3.96Å; F99-F104 HydrophobicContact CE2-CD1 3.96Å; F99-F104 HydrophobicContact CE2-CG 4.47Å; F99-F104 HydrophobicContact CG-CB 4.34Å; F99-F104 HydrophobicContact CZ-CB 3.89Å; F99-F104 HydrophobicContact CZ-CD1 4.48Å; G102-F104 PolarHBondContact O-N 2.92Å; F104-S129 WeakPolarHBondContact CA-OG 3.49Å; F104-S129 PolarHBondContact N-OG 3.35Å; F104-C130 WeakPolarHBondContact CE1-O 3.22Å; F104-K131 HydrophobicContact CD1-CD 4.36Å; F104-K131 HydrophobicContact CD1-CG 3.82Å; F104-K131 VanDerWaalsContact CD2-CE 3.48Å; F104-K131 HydrophobicContact CE1-CG 3.73Å; F104-K131 HydrophobicContact CG-CG 4.47Å; F104-K131 HydrophobicContact CZ-CG 4.3Å; F104-E156 HydrophobicContact CE2-CB 4.38Å; F104-E156 HydrophobicContact CZ-CB 3.73Å; F104-E156 HydrophobicContact CZ-CG 4.35Å; F104-Y157 VanDerWaalsContact CE1-O 3.3Å; F104-Y157 WeakPolarHBondContact CE1-O 3.15Å; F104-R158 HydrophobicContact CE1-CG 4.38Å; F104-R158 HydrophobicContact CE2-CG 3.65Å; F104-R158 HydrophobicContact CZ-CB 4.34Å; F104-R158 HydrophobicContact CZ-CG 3.45Å; F104-R158 VanDerWaalsContact CZ-CG 3.45Å
105	N	97.9	Very high	98	Very high	92 Å²	92	56.2 Å²	56.2	49%	0.492	29%	0.29	S	S	.	.			trans	-103.6	167.9	179	-66.9	-72.6	0	0	0	112.5	K101 G102 D103	K101-N105 HydrophobicContact CB-CB 4.07Å; K101-N105 WeakPolarHBondContact CB-O 3.38Å; K101-N105 PolarHBondContact N-O 3.22Å; K101-N105 VanDerWaalsContact N-O 3.1Å; G102-N105 WeakPolarHBondContact O-CB 3.4Å; G102-N105 PolarHBondContact O-N 3.24Å; G102-N105 PolarHBondContact O-ND2 3.3Å; D103-N105 VanDerWaalsContact C-N 3.32Å; D103-N105 PolarHBondContact O-N 3.49Å; D103-N105 PolarHBondContact O-ND2 2.89Å; D103-N105 VanDerWaalsContact O-ND2 3.09Å
106	G	96.9	Very high	98	Very high	47 Å²	47	55.3 Å²	55.3	49%	0.485	29%	0.291	S	S	.	.	S	Bend	trans	79.8	-158.8	177.4	0	0	0	0	0	112.7	M108	G106-M108 PolarHBondContact O-N 2.8Å
107	Q	97.2	Very high	98	Very high	100 Å²	100	55.7 Å²	55.7	47%	0.467	29%	0.294	S	S	.	.	S	Bend	trans	-63.2	135.3	177.1	-171.2	68.3	30.6	0	0	110.2	F99 E100 Y109	F99-Q107 WeakPolarHBondContact CA-O 3.41Å; E100-Q107 HydrophobicContact CB-CB 4.18Å; E100-Q107 PolarHBondContact N-O 2.96Å; Q107-Y109 HydrophobicContact CB-CE2 4.44Å; Q107-Y109 HydrophobicContact CG-CD2 4.23Å; Q107-Y109 HydrophobicContact CG-CE1 4.49Å; Q107-Y109 HydrophobicContact CG-CE2 3.43Å; Q107-Y109 VanDerWaalsContact CG-CE2 3.43Å
108	M	97.9	Very high	97.9	Very high	76 Å²	76	54.1 Å²	54.1	37%	0.374	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138.4	178.7	-175.3	-80.6	-69.7	0	0	110.2	Q97 I98 F99 G106 E110	Q97-M108 HydrophobicContact CB-CG 4.45Å; Q97-M108 HydrophobicContact CB-SD 4.21Å; Q97-M108 HydrophobicContact CG-SD 4.09Å; I98-M108 WeakPolarHBondContact O-CA 3.45Å; F99-M108 HydrophobicContact CD1-CB 3.77Å; F99-M108 HydrophobicContact CD1-CG 3.79Å; F99-M108 HydrophobicContact CD2-CG 4.44Å; F99-M108 HydrophobicContact CE1-CB 3.65Å; F99-M108 HydrophobicContact CE1-CG 3.32Å; F99-M108 HydrophobicContact CE2-CG 4.03Å; F99-M108 HydrophobicContact CG-CG 4.33Å; F99-M108 HydrophobicContact CZ-CB 4.29Å; F99-M108 HydrophobicContact CZ-CG 3.45Å; F99-M108 VanDerWaalsContact CZ-CG 3.45Å; G106-M108 PolarHBondContact O-N 2.8Å; M108-E110 HydrophobicContact SD-CB 4.17Å
109	Y	98.3	Very high	97.8	Very high	70 Å²	70	58 Å²	58	28%	0.275	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.2	169.9	-61.2	-83	0	0	0	110.4	Q97 I98 Q107 F122 M124	Q97-Y109 CarbonylContact C-O 3.57Å; Q97-Y109 VanDerWaalsContact CA-O 3.31Å; Q97-Y109 WeakPolarHBondContact CA-O 3.48Å; I98-Y109 PolarHBondContact N-O 2.75Å; I98-Y109 PolarHBondContact O-N 3.08Å; Q107-Y109 HydrophobicContact CB-CE2 4.44Å; Q107-Y109 HydrophobicContact CG-CD2 4.23Å; Q107-Y109 HydrophobicContact CG-CE1 4.49Å; Q107-Y109 HydrophobicContact CG-CE2 3.43Å; Q107-Y109 VanDerWaalsContact CG-CE2 3.43Å; Y109-F122 AromaticContact CD1-CD1 3.55Å; Y109-F122 HydrophobicContact CD1-CD1 3.55Å; Y109-F122 HydrophobicContact CD1-CE1 4.11Å; Y109-F122 HydrophobicContact CD1-CG 4.38Å; Y109-F122 HydrophobicContact CD2-CB 4Å; Y109-F122 HydrophobicContact CD2-CD1 4.13Å; Y109-F122 HydrophobicContact CD2-CG 4.18Å; Y109-F122 HydrophobicContact CE1-CD1 4.09Å; Y109-F122 HydrophobicContact CE2-CB 3.95Å; Y109-F122 HydrophobicContact CG-CB 4.31Å; Y109-F122 AromaticContact CG-CD1 3.55Å; Y109-F122 HydrophobicContact CG-CD1 3.55Å; Y109-F122 HydrophobicContact CG-CE1 4.08Å; Y109-F122 HydrophobicContact CG-CG 4.05Å; Y109-F122 PolarHBondContact OH-O 2.8Å; Y109-M124 HydrophobicContact CD2-SD 3.47Å; Y109-M124 WeakPolarHBondContact CD2-SD 3.29Å; Y109-M124 HydrophobicContact CE2-CG 4.01Å; Y109-M124 HydrophobicContact CE2-SD 3.43Å; Y109-M124 WeakPolarHBondContact CE2-SD 3.49Å
110	E	98.4	Very high	97.8	Very high	87 Å²	87	64.6 Å²	64.6	41%	0.407	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137	174.6	-176.9	173.3	119.7	0	0	109.5	K95 I96 Q97 M108	K95-E110 HydrophobicContact CD-CG 4.3Å; K95-E110 WeakPolarHBondContact CD-OE1 3.34Å; K95-E110 WeakPolarHBondContact CE-OE1 3.43Å; K95-E110 HydrophobicContact CG-CG 4.04Å; K95-E110 IonicContact NZ-OE1 2.77Å; K95-E110 PolarHBondContact NZ-OE1 2.89Å; I96-E110 WeakPolarHBondContact O-CA 3.3Å; Q97-E110 HydrophobicContact CG-CB 4.05Å; Q97-E110 HydrophobicContact CG-CG 4.01Å; Q97-E110 PolarHBondContact NE2-OE2 3.21Å; M108-E110 HydrophobicContact SD-CB 4.17Å
111	T	97.9	Very high	97.7	Very high	19 Å²	19	64.2 Å²	64.2	12%	0.117	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	157.1	173	-175	0	0	0	0	111.8	I96 E113 F122 F173	I96-T111 HydrophobicContact CG2-CG2 3.82Å; I96-T111 PolarHBondContact N-O 2.91Å; I96-T111 PolarHBondContact O-N 2.79Å; T111-E113 PolarHBondContact OG1-N 3.5Å; T111-E113 VanDerWaalsContact OG1-N 3.08Å; T111-F122 HydrophobicContact CG2-CZ 4.38Å; T111-F173 HydrophobicContact CG2-CE2 3.59Å; T111-F173 HydrophobicContact CG2-CZ 3.57Å
112	T	97.3	Very high	97.6	Very high	61 Å²	61	59.3 Å²	59.3	37%	0.374	31%	0.314	S	S	.	.	S	Bend	trans	-108.9	-5.3	170.9	61	0	0	0	0	112.3	Y94 R175	Y94-T112 WeakPolarHBondContact O-CA 3.45Å; Y94-T112 VanDerWaalsContact O-CB 3.31Å; Y94-T112 WeakPolarHBondContact O-CB 3.5Å; Y94-T112 VanDerWaalsContact O-CG2 3.29Å; Y94-T112 WeakPolarHBondContact O-CG2 3.39Å; T112-R175 VanDerWaalsContact O-CD 3.3Å; T112-R175 WeakPolarHBondContact O-CD 3.43Å; T112-R175 PolarHBondContact O-NH1 2.94Å
113	E	97.2	Very high	97.5	Very high	93 Å²	93	65.1 Å²	65.1	44%	0.435	33%	0.334	S	S	.	.	S	Bend	trans	-108.6	161.5	-173.7	-59.3	-48.9	126.4	0	0	112.9	T111 R175	T111-E113 PolarHBondContact OG1-N 3.5Å; T111-E113 VanDerWaalsContact OG1-N 3.08Å; E113-R175 VanDerWaalsContact CD-NH1 3.29Å; E113-R175 IonicContact OE1-NH1 2.75Å; E113-R175 PolarHBondContact OE1-NH1 3.35Å; E113-R175 IonicContact OE2-CZ 3.55Å; E113-R175 VanDerWaalsContact OE2-CZ 3.23Å; E113-R175 IonicContact OE2-NH1 2.73Å; E113-R175 PolarHBondContact OE2-NH1 3.5Å; E113-R175 IonicContact OE2-NH2 3.94Å; E113-R175 PolarHBondContact OE2-NH2 3.08Å
114	D	98.3	Very high	97.3	Very high	54 Å²	54	61.5 Å²	61.5	29%	0.289	31%	0.314	S	S	.	.			trans	-67.1	145.9	172.5	-50.1	-44.4	0	0	0	110.4	R174 R175	D114-R174 HydrophobicContact CB-CB 3.95Å; D114-R174 VanDerWaalsContact OD1-CA 3.28Å; D114-R174 WeakPolarHBondContact OD1-CA 3.39Å; D114-R174 WeakPolarHBondContact OD1-CB 3.49Å; D114-R175 WeakPolarHBondContact OD1-CB 3.48Å; D114-R175 WeakPolarHBondContact OD1-CG 3.24Å; D114-R175 IonicContact OD1-CZ 2.88Å; D114-R175 PolarHBondContact OD1-N 3.46Å; D114-R175 IonicContact OD1-NE 3.79Å; D114-R175 PolarHBondContact OD1-NE 2.72Å; D114-R175 IonicContact OD1-NH2 3.27Å; D114-R175 IonicContact OD2-CZ 3.23Å; D114-R175 IonicContact OD2-NE 3.74Å; D114-R175 IonicContact OD2-NH2 2.82Å; D114-R175 PolarHBondContact OD2-NH2 3.49Å
115	C	98.4	Very high	97	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-124.9	102.4	-179.1	175	0	0	0	0	109.5	S117 Q121 F122 S172 F173	C115-S117 VanDerWaalsContact C-N 3.3Å; C115-S117 VanDerWaalsContact SG-C 3.52Å; C115-Q121 PolarHBondContact SG-OE1 2.87Å; C115-F122 HydrophobicContact CB-CE2 4.41Å; C115-S172 CarbonylContact O-C 3.55Å; C115-S172 WeakPolarHBondContact O-CA 3.43Å; C115-S172 WeakPolarHBondContact O-CB 3.47Å; C115-F173 HydrophobicContact CB-CD1 3.92Å; C115-F173 HydrophobicContact CB-CD2 4.03Å; C115-F173 HydrophobicContact CB-CE1 3.49Å; C115-F173 VanDerWaalsContact CB-CE1 3.49Å; C115-F173 HydrophobicContact CB-CE2 3.62Å; C115-F173 HydrophobicContact CB-CG 4.17Å; C115-F173 HydrophobicContact CB-CZ 3.34Å; C115-F173 PolarHBondContact N-O 3.48Å; C115-F173 PolarHBondContact O-N 3.15Å
116	P	98.3	Very high	97	Very high	50 Å²	50	69.1 Å²	69.1	33%	0.325	34%	0.339	S	S	.	.	S	Bend	trans	-74.5	-18.6	179	29.5	-34.3	0	0	0	113.2	N144 Y145 S172	P116-N144 PolarHBondContact O-N 3.34Å; P116-Y145 HydrophobicContact CB-CE1 4.48Å; P116-Y145 HydrophobicContact CB-CE2 4.37Å; P116-S172 VanDerWaalsContact O-CB 3.3Å; P116-S172 WeakPolarHBondContact O-CB 2.91Å
117	S	98.3	Very high	97.1	Very high	9 Å²	9	66.9 Å²	66.9	6%	0.063	32%	0.316	C	S	.	.			trans	-150.8	105.7	178.6	-177.2	0	0	0	0	111.4	C115 M119 E120 Q121 Q171	C115-S117 VanDerWaalsContact C-N 3.3Å; C115-S117 VanDerWaalsContact SG-C 3.52Å; S117-M119 VanDerWaalsContact C-N 3.28Å; S117-M119 PolarHBondContact O-N 2.66Å; S117-E120 PolarHBondContact O-N 3.07Å; S117-E120 WeakPolarHBondContact OG-CG 3.42Å; S117-E120 PolarHBondContact OG-N 2.65Å; S117-Q121 WeakPolarHBondContact O-CB 3.37Å; S117-Q121 PolarHBondContact O-N 2.82Å; S117-Q171 WeakPolarHBondContact CA-O 3.49Å
118	I	97.6	Very high	97.1	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.3	-37.5	177	-71.1	167.3	0	0	0	110.9	F122 H123 M124 I127 V170 Q171 F173	I118-F122 HydrophobicContact CG2-CD2 4.29Å; I118-F122 WeakPolarHBondContact O-CA 3.46Å; I118-F122 WeakPolarHBondContact O-CB 3.39Å; I118-F122 PolarHBondContact O-N 2.82Å; I118-H123 PolarHBondContact O-N 3Å; I118-M124 HydrophobicContact CG2-CB 3.7Å; I118-M124 WeakPolarHBondContact CG2-O 3.27Å; I118-I127 HydrophobicContact CD1-CD1 3.41Å; I118-I127 VanDerWaalsContact CD1-CD1 3.41Å; I118-I127 HydrophobicContact CD1-CG1 4.13Å; I118-I127 HydrophobicContact CG1-CD1 4.48Å; I118-V170 HydrophobicContact CD1-CB 4.26Å; I118-V170 HydrophobicContact CD1-CG1 3.78Å; I118-V170 WeakPolarHBondContact CD1-O 3.29Å; I118-Q171 PolarHBondContact N-O 3.44Å; I118-F173 HydrophobicContact CD1-CD1 4.01Å; I118-F173 HydrophobicContact CD1-CE1 4.29Å; I118-F173 HydrophobicContact CG1-CD1 4.12Å; I118-F173 HydrophobicContact CG1-CE1 4.04Å
119	M	96.4	Very high	97.2	Very high	83 Å²	83	61.2 Å²	61.2	41%	0.409	29%	0.288	S	S	.	.	H	α-helix	trans	-64.4	-42.7	179.4	-176.9	65.2	-165.3	0	0	111.4	S117 H123 M124 R125	S117-M119 VanDerWaalsContact C-N 3.28Å; S117-M119 PolarHBondContact O-N 2.66Å; M119-H123 WeakPolarHBondContact O-CA 3.24Å; M119-H123 PolarHBondContact O-N 2.91Å; M119-M124 WeakPolarHBondContact CA-O 3.26Å; M119-R125 HydrophobicContact SD-CG 4.01Å
120	E	96.8	Very high	97.2	Very high	154 Å²	154	57.9 Å²	57.9	72%	0.72	28%	0.275	S	S	*	.	H	α-helix	trans	-73	-39.5	179.7	-70	168.9	-162.2	0	0	112	S117	S117-E120 PolarHBondContact O-N 3.07Å; S117-E120 WeakPolarHBondContact OG-CG 3.42Å; S117-E120 PolarHBondContact OG-N 2.65Å
121	Q	96.5	Very high	97.2	Very high	86 Å²	86	55.8 Å²	55.8	40%	0.402	27%	0.265	S	S	.	.	H	α-helix	trans	-82.7	-39.1	-174.3	-170.2	170.2	-13.7	0	0	113.3	C115 S117	C115-Q121 PolarHBondContact SG-OE1 2.87Å; S117-Q121 WeakPolarHBondContact O-CB 3.37Å; S117-Q121 PolarHBondContact O-N 2.82Å
122	F	95.4	Very high	97.2	Very high	16 Å²	16	55.1 Å²	55.1	7%	0.07	26%	0.26	C	S	.	.	H	α-helix	trans	-122.2	-2.8	-171.3	-54.8	-57.6	0	0	0	113.7	I98 Y109 T111 C115 I118 M124 F173	I98-F122 HydrophobicContact CD1-CD2 3.72Å; I98-F122 HydrophobicContact CD1-CE2 3.81Å; I98-F122 HydrophobicContact CD1-CG 4.43Å; Y109-F122 AromaticContact CD1-CD1 3.55Å; Y109-F122 HydrophobicContact CD1-CD1 3.55Å; Y109-F122 HydrophobicContact CD1-CE1 4.11Å; Y109-F122 HydrophobicContact CD1-CG 4.38Å; Y109-F122 HydrophobicContact CD2-CB 4Å; Y109-F122 HydrophobicContact CD2-CD1 4.13Å; Y109-F122 HydrophobicContact CD2-CG 4.18Å; Y109-F122 HydrophobicContact CE1-CD1 4.09Å; Y109-F122 HydrophobicContact CE2-CB 3.95Å; Y109-F122 HydrophobicContact CG-CB 4.31Å; Y109-F122 AromaticContact CG-CD1 3.55Å; Y109-F122 HydrophobicContact CG-CD1 3.55Å; Y109-F122 HydrophobicContact CG-CE1 4.08Å; Y109-F122 HydrophobicContact CG-CG 4.05Å; Y109-F122 PolarHBondContact OH-O 2.8Å; T111-F122 HydrophobicContact CG2-CZ 4.38Å; C115-F122 HydrophobicContact CB-CE2 4.41Å; I118-F122 HydrophobicContact CG2-CD2 4.29Å; I118-F122 WeakPolarHBondContact O-CA 3.46Å; I118-F122 WeakPolarHBondContact O-CB 3.39Å; I118-F122 PolarHBondContact O-N 2.82Å; F122-M124 HydrophobicContact CB-CB 4.45Å; F122-M124 HydrophobicContact CB-CG 4.23Å; F122-M124 HydrophobicContact CB-SD 4.32Å; F122-M124 PolarHBondContact O-N 2.88Å; F122-M124 VanDerWaalsContact O-N 3.13Å; F122-F173 HydrophobicContact CE2-CE1 4.07Å; F122-F173 AromaticContact CE2-CZ 3.97Å; F122-F173 HydrophobicContact CE2-CZ 3.97Å
123	H	96.1	Very high	97.2	Very high	148 Å²	148	55 Å²	55	69%	0.685	26%	0.257	S	S	*	.			trans	55.3	27	-176	-57.7	77.9	0	0	0	113.2	I118 M119	I118-H123 PolarHBondContact O-N 3Å; M119-H123 WeakPolarHBondContact O-CA 3.24Å; M119-H123 PolarHBondContact O-N 2.91Å
124	M	94.5	Very high	97.1	Very high	13 Å²	13	53.4 Å²	53.4	6%	0.064	25%	0.25	C	C	.	.			trans	-102.8	143.9	177.6	-71	177.9	59.6	0	0	110.7	E100 Y109 I118 M119 F122 E126 I127	E100-M124 HydrophobicContact CB-CE 3.99Å; Y109-M124 HydrophobicContact CD2-SD 3.47Å; Y109-M124 WeakPolarHBondContact CD2-SD 3.29Å; Y109-M124 HydrophobicContact CE2-CG 4.01Å; Y109-M124 HydrophobicContact CE2-SD 3.43Å; Y109-M124 WeakPolarHBondContact CE2-SD 3.49Å; I118-M124 HydrophobicContact CG2-CB 3.7Å; I118-M124 WeakPolarHBondContact CG2-O 3.27Å; M119-M124 WeakPolarHBondContact CA-O 3.26Å; F122-M124 HydrophobicContact CB-CB 4.45Å; F122-M124 HydrophobicContact CB-CG 4.23Å; F122-M124 HydrophobicContact CB-SD 4.32Å; F122-M124 PolarHBondContact O-N 2.88Å; F122-M124 VanDerWaalsContact O-N 3.13Å; M124-E126 WeakPolarHBondContact CE-O 3.35Å; M124-I127 HydrophobicContact CE-CG1 4.38Å
125	R	92.1	Very high	96.9	Very high	199 Å²	199	50.9 Å²	50.9	75%	0.751	24%	0.236	S	C	*	.	S	Bend	trans	-100.4	-20	176.8	-56.1	-176.3	93	177.9	6.8	113.1	M119 Q171	M119-R125 HydrophobicContact SD-CG 4.01Å; R125-Q171 PolarHBondContact O-NE2 3.05Å
126	E	97.1	Very high	96.7	Very high	87 Å²	87	51 Å²	51	41%	0.407	24%	0.238	S	C	.	.			trans	-148.3	151.1	-172.8	-65.5	-175.3	159.4	0	0	110.1	M124 H128 P168	M124-E126 WeakPolarHBondContact CE-O 3.35Å; E126-H128 IonicContact OE2-CD2 3.65Å; E126-H128 IonicContact OE2-CE1 2.77Å; E126-H128 IonicContact OE2-NE2 2.7Å; E126-H128 PolarHBondContact OE2-NE2 3.4Å; E126-P168 WeakPolarHBondContact CA-O 3.3Å; E126-P168 HydrophobicContact CB-CB 4.09Å; E126-P168 HydrophobicContact CB-CG 4.16Å; E126-P168 VanDerWaalsContact CD-CG 3.45Å; E126-P168 HydrophobicContact CG-CG 4.08Å; E126-P168 WeakPolarHBondContact OE2-CG 3.49Å
127	I	98.4	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.222	C	C	.	.			trans	-116.1	122.2	170.5	-64.7	176.8	0	0	0	107.6	I98 I118 M124 S129 C130 F139 W163 P168 V170	I98-I127 HydrophobicContact CB-CD1 3.99Å; I98-I127 HydrophobicContact CB-CG1 4.39Å; I98-I127 HydrophobicContact CB-CG2 4.28Å; I98-I127 HydrophobicContact CD1-CD1 3.91Å; I98-I127 HydrophobicContact CD1-CG1 4.44Å; I98-I127 HydrophobicContact CG2-CD1 3.82Å; I98-I127 HydrophobicContact CG2-CG2 4.48Å; I118-I127 HydrophobicContact CD1-CD1 3.41Å; I118-I127 VanDerWaalsContact CD1-CD1 3.41Å; I118-I127 HydrophobicContact CD1-CG1 4.13Å; I118-I127 HydrophobicContact CG1-CD1 4.48Å; M124-I127 HydrophobicContact CE-CG1 4.38Å; I127-S129 WeakPolarHBondContact CG2-O 3.09Å; I127-C130 HydrophobicContact CG2-CB 4.48Å; I127-F139 HydrophobicContact CD1-CE2 4.34Å; I127-F139 HydrophobicContact CD1-CZ 4.05Å; I127-F139 HydrophobicContact CG2-CE2 4.16Å; I127-F139 HydrophobicContact CG2-CZ 4.41Å; I127-W163 HydrophobicContact CG2-CH2 4.18Å; I127-W163 WeakPolarHBondContact O-CH2 3.38Å; I127-W163 WeakPolarHBondContact O-CZ2 3.31Å; I127-P168 PolarHBondContact N-O 3.38Å; I127-P168 WeakPolarHBondContact O-CB 3.25Å; I127-V170 HydrophobicContact CB-CB 4.27Å; I127-V170 HydrophobicContact CB-CG2 4.42Å; I127-V170 HydrophobicContact CD1-CB 4.1Å; I127-V170 HydrophobicContact CD1-CG1 3.99Å; I127-V170 HydrophobicContact CG1-CB 4.31Å
128	H	98.5	Very high	96.7	Very high	56 Å²	56	48.3 Å²	48.3	26%	0.259	22%	0.219	S	C	.	.			trans	-103.8	-24.7	-176.7	-76.6	-98.6	0	0	0	113	F99 E100 E126 K159 P160	F99-H128 PolarHBondContact O-N 2.85Å; F99-H128 VanDerWaalsContact O-N 3.16Å; E100-H128 PolarHBondContact O-CD2 2.88Å; E126-H128 IonicContact OE2-CD2 3.65Å; E126-H128 IonicContact OE2-CE1 2.77Å; E126-H128 IonicContact OE2-NE2 2.7Å; E126-H128 PolarHBondContact OE2-NE2 3.4Å; H128-K159 VanDerWaalsContact O-CA 3.3Å; H128-K159 WeakPolarHBondContact O-CA 3.05Å; H128-P160 WeakPolarHBondContact O-CD 3.35Å
129	S	98.7	Very high	96.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	158.5	169.7	64.1	0	0	0	0	111.1	F99 K101 F104 I127 Y157 R158	F99-S129 WeakPolarHBondContact CB-O 2.93Å; F99-S129 VanDerWaalsContact CB-OG 3.3Å; F99-S129 WeakPolarHBondContact CB-OG 3.42Å; F99-S129 PolarHBondContact N-O 2.86Å; K101-S129 PolarHBondContact O-OG 3.15Å; F104-S129 WeakPolarHBondContact CA-OG 3.49Å; F104-S129 PolarHBondContact N-OG 3.35Å; I127-S129 WeakPolarHBondContact CG2-O 3.09Å; S129-Y157 CarbonylContact C-O 3.57Å; S129-Y157 VanDerWaalsContact CA-O 3.3Å; S129-Y157 WeakPolarHBondContact CA-O 3.44Å; S129-Y157 WeakPolarHBondContact CB-O 3.33Å; S129-R158 WeakPolarHBondContact CB-O 3.46Å
130	C	98.8	Very high	96.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	159.3	177.2	69.2	0	0	0	0	112.5	Q97 I98 F104 I127 F139 L152 Y157	Q97-C130 CarbonylContact O-C 3.56Å; Q97-C130 WeakPolarHBondContact O-CA 3.33Å; Q97-C130 WeakPolarHBondContact O-CB 3.41Å; I98-C130 HydrophobicContact CG2-CB 4.16Å; F104-C130 WeakPolarHBondContact CE1-O 3.22Å; I127-C130 HydrophobicContact CG2-CB 4.48Å; C130-F139 HydrophobicContact CB-CE2 4.49Å; C130-F139 HydrophobicContact CB-CZ 4.14Å; C130-L152 WeakPolarHBondContact SG-CD2 3.4Å; C130-Y157 PolarHBondContact N-O 3.36Å; C130-Y157 PolarHBondContact O-N 2.76Å
131	K	98.7	Very high	96.8	Very high	43 Å²	43	40.4 Å²	40.4	19%	0.187	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.9	171.1	-56.8	-173.1	-178.2	-147.5	0	108.7	I96 Q97 F99 F104 L133 E156	I96-K131 WeakPolarHBondContact CA-O 3.35Å; Q97-K131 HydrophobicContact CB-CB 4.32Å; Q97-K131 PolarHBondContact N-O 2.89Å; Q97-K131 PolarHBondContact O-N 3.27Å; F99-K131 HydrophobicContact CE2-CD 4.46Å; F99-K131 HydrophobicContact CE2-CG 4.1Å; F104-K131 HydrophobicContact CD1-CD 4.36Å; F104-K131 HydrophobicContact CD1-CG 3.82Å; F104-K131 VanDerWaalsContact CD2-CE 3.48Å; F104-K131 HydrophobicContact CE1-CG 3.73Å; F104-K131 HydrophobicContact CG-CG 4.47Å; F104-K131 HydrophobicContact CZ-CG 4.3Å; K131-L133 HydrophobicContact CB-CD2 4Å; K131-L133 PolarHBondContact O-N 3.14Å; K131-E156 HydrophobicContact CD-CG 4.39Å; K131-E156 WeakPolarHBondContact CE-OE1 3.38Å; K131-E156 HydrophobicContact CG-CG 4.24Å; K131-E156 IonicContact NZ-OE1 3.59Å; K131-E156 PolarHBondContact NZ-OE1 2.88Å
132	V	98.1	Very high	96.8	Very high	5 Å²	5	40 Å²	40	3%	0.03	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	101.4	167	179.7	0	0	0	0	107	I96 G135 L152 D153 K154 K155 Y157	I96-V132 HydrophobicContact CD1-CG2 4.08Å; I96-V132 HydrophobicContact CG1-CG2 4.26Å; V132-G135 WeakPolarHBondContact CG1-O 3.38Å; V132-L152 HydrophobicContact CG2-CB 3.79Å; V132-L152 HydrophobicContact CG2-CD2 4.15Å; V132-D153 WeakPolarHBondContact CB-O 3.4Å; V132-K154 HydrophobicContact CG1-CB 4.39Å; V132-K155 PolarHBondContact N-O 2.89Å; V132-Y157 HydrophobicContact CG2-CE2 4.15Å
133	L	97.3	Very high	96.9	Very high	58 Å²	58	41.1 Å²	41.1	30%	0.304	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-40	-179.1	-60.4	-176.8	0	0	0	110.6	K95 Q97 K131 K154	K95-L133 HydrophobicContact CB-CB 4.1Å; K95-L133 HydrophobicContact CD-CB 4.11Å; K95-L133 HydrophobicContact CD-CD1 3.54Å; K95-L133 HydrophobicContact CD-CG 4.42Å; K95-L133 HydrophobicContact CG-CB 4.06Å; K95-L133 HydrophobicContact CG-CD1 3.91Å; K95-L133 HydrophobicContact CG-CG 4.43Å; K95-L133 PolarHBondContact O-N 2.67Å; Q97-L133 HydrophobicContact CG-CD1 3.87Å; Q97-L133 HydrophobicContact CG-CG 4.4Å; K131-L133 HydrophobicContact CB-CD2 4Å; K131-L133 PolarHBondContact O-N 3.14Å; L133-K154 WeakPolarHBondContact O-CE 3.48Å; L133-K154 PolarHBondContact O-NZ 2.95Å
134	E	95.9	Very high	97	Very high	60 Å²	60	38.8 Å²	38.8	28%	0.28	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	149.9	177.1	-63.9	-58.8	155.9	0	0	111.5	Q93 Y94 K95 W137 K154	Q93-E134 HydrophobicContact CB-CB 4.14Å; Q93-E134 HydrophobicContact CB-CG 4.29Å; Q93-E134 CarbonylContact O-C 3.54Å; Q93-E134 WeakPolarHBondContact O-CB 3.46Å; Y94-E134 WeakPolarHBondContact CA-O 3.3Å; K95-E134 HydrophobicContact CB-CB 4.19Å; K95-E134 PolarHBondContact N-O 2.82Å; K95-E134 PolarHBondContact O-N 3.46Å; E134-W137 PolarHBondContact O-NE1 3.35Å; E134-K154 IonicContact OE1-NZ 3.76Å; E134-K154 PolarHBondContact OE1-NZ 2.84Å; E134-K154 IonicContact OE2-NZ 3Å; E134-K154 PolarHBondContact OE2-NZ 3.42Å
135	G	93.8	Very high	97.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	19%	0.192	C	C	.	.	S	Bend	trans	78.1	-167.1	177	0	0	0	0	0	114.5	Q93 V132	Q93-G135 WeakPolarHBondContact O-CA 3.35Å; Q93-G135 PolarHBondContact O-N 2.99Å; V132-G135 WeakPolarHBondContact CG1-O 3.38Å
136	V	94.6	Very high	97.2	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.024	18%	0.182	C	C	.	.			trans	-127.3	136.7	175.5	-174.4	0	0	0	0	108	V86 L88 P89 L151 L152 I176	V86-V136 HydrophobicContact CG1-CG1 4.2Å; L88-V136 HydrophobicContact CD2-CB 4.26Å; L88-V136 HydrophobicContact CD2-CG2 4.28Å; P89-V136 HydrophobicContact CG-CG2 4.47Å; V136-L151 HydrophobicContact CG1-CD1 3.54Å; V136-L151 HydrophobicContact CG1-CG 4.41Å; V136-L152 WeakPolarHBondContact CA-O 3.28Å; V136-L152 WeakPolarHBondContact CG1-O 3.3Å; V136-I176 HydrophobicContact CG1-CD1 3.8Å; V136-I176 HydrophobicContact CG1-CG1 4.38Å; V136-I176 PolarHBondContact O-N 3.28Å
137	W	97.1	Very high	97.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	160.1	-171.7	-62.3	75.5	0	0	0	111.5	I96 E134 L152 F173 R174 R175	I96-W137 HydrophobicContact CB-CD2 4.16Å; I96-W137 HydrophobicContact CB-CH2 4.35Å; I96-W137 HydrophobicContact CB-CZ2 3.88Å; I96-W137 HydrophobicContact CD1-CB 4.46Å; I96-W137 HydrophobicContact CD1-CD2 4.31Å; I96-W137 HydrophobicContact CD1-CG 4.23Å; I96-W137 HydrophobicContact CG2-CD2 4.16Å; I96-W137 HydrophobicContact CG2-CE3 4.1Å; I96-W137 HydrophobicContact CG2-CH2 3.65Å; I96-W137 HydrophobicContact CG2-CZ2 3.7Å; I96-W137 HydrophobicContact CG2-CZ3 3.87Å; E134-W137 PolarHBondContact O-NE1 3.35Å; W137-L152 HydrophobicContact CB-CB 4.25Å; W137-L152 PolarHBondContact N-O 2.9Å; W137-L152 PolarHBondContact O-N 3.28Å; W137-F173 AromaticContact CE3-CD2 3.7Å; W137-F173 HydrophobicContact CE3-CD2 3.7Å; W137-F173 HydrophobicContact CE3-CE2 4.23Å; W137-F173 AromaticContact CZ3-CD2 3.61Å; W137-F173 HydrophobicContact CZ3-CD2 3.61Å; W137-F173 AromaticContact CZ3-CE2 3.74Å; W137-F173 HydrophobicContact CZ3-CE2 3.74Å; W137-R174 CarbonylContact C-O 3.56Å; W137-R174 WeakPolarHBondContact CA-O 3.24Å; W137-R175 HydrophobicContact CD2-CG 4.1Å; W137-R175 HydrophobicContact CE3-CG 3.78Å; W137-R175 HydrophobicContact CH2-CG 3.53Å; W137-R175 HydrophobicContact CZ2-CG 3.85Å; W137-R175 HydrophobicContact CZ3-CG 3.48Å; W137-R175 VanDerWaalsContact CZ3-CG 3.48Å
138	I	97.7	Very high	97	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126	171.9	-49.1	170.1	0	0	0	108.2	I61 Y140 Q149 Y150 F173 R174 I176	I61-I138 HydrophobicContact CB-CD1 3.68Å; I61-I138 HydrophobicContact CB-CG1 4.5Å; I61-I138 HydrophobicContact CG1-CD1 3.7Å; I61-I138 HydrophobicContact CG1-CG1 3.98Å; I61-I138 HydrophobicContact CG1-CG2 4.49Å; I61-I138 HydrophobicContact CG2-CD1 3.8Å; I138-Y140 HydrophobicContact CB-CD2 4.47Å; I138-Y140 HydrophobicContact CB-CE2 3.7Å; I138-Y140 WeakPolarHBondContact CD1-OH 3.12Å; I138-Y140 HydrophobicContact CG2-CD2 4.1Å; I138-Y140 HydrophobicContact CG2-CE1 4.17Å; I138-Y140 HydrophobicContact CG2-CE2 3.48Å; I138-Y140 VanDerWaalsContact CG2-CE2 3.48Å; I138-Q149 HydrophobicContact CG2-CB 4.04Å; I138-Y150 VanDerWaalsContact CA-O 3.32Å; I138-Y150 WeakPolarHBondContact CA-O 3.47Å; I138-F173 CarbonylContact O-C 3.58Å; I138-F173 WeakPolarHBondContact O-CA 3.42Å; I138-F173 VanDerWaalsContact O-CB 3.25Å; I138-F173 WeakPolarHBondContact O-CB 3.19Å; I138-R174 HydrophobicContact CD1-CG 4.44Å; I138-R174 PolarHBondContact N-O 2.87Å; I138-R174 PolarHBondContact O-N 3.16Å; I138-I176 HydrophobicContact CD1-CD1 3.99Å; I138-I176 HydrophobicContact CD1-CG1 3.77Å; I138-I176 HydrophobicContact CG1-CD1 3.65Å; I138-I176 HydrophobicContact CG1-CG1 3.55Å
139	F	98.4	Very high	96.9	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	144.3	165.3	-81.3	3.4	0	0	0	110.7	I96 I98 I127 C130 Q149 Y150 L152 W163 V170 F173	I96-F139 HydrophobicContact CD1-CE1 3.61Å; I96-F139 HydrophobicContact CD1-CZ 3.92Å; I98-F139 HydrophobicContact CG2-CZ 4.1Å; I127-F139 HydrophobicContact CD1-CE2 4.34Å; I127-F139 HydrophobicContact CD1-CZ 4.05Å; I127-F139 HydrophobicContact CG2-CE2 4.16Å; I127-F139 HydrophobicContact CG2-CZ 4.41Å; C130-F139 HydrophobicContact CB-CE2 4.49Å; C130-F139 HydrophobicContact CB-CZ 4.14Å; F139-Q149 CarbonylContact O-C 3.47Å; F139-Q149 VanDerWaalsContact O-CA 3.3Å; F139-Q149 WeakPolarHBondContact O-CA 3.45Å; F139-Y150 HydrophobicContact CB-CD2 4.01Å; F139-Y150 PolarHBondContact N-O 2.9Å; F139-Y150 PolarHBondContact O-N 3.38Å; F139-L152 HydrophobicContact CB-CD1 3.68Å; F139-L152 HydrophobicContact CD1-CD1 3.69Å; F139-L152 HydrophobicContact CD1-CD2 4.18Å; F139-L152 HydrophobicContact CD2-CD1 3.79Å; F139-L152 HydrophobicContact CD2-CD2 3.92Å; F139-L152 HydrophobicContact CD2-CG 4.5Å; F139-L152 HydrophobicContact CE1-CD1 4.33Å; F139-L152 HydrophobicContact CE1-CD2 4Å; F139-L152 HydrophobicContact CE2-CD1 4.39Å; F139-L152 HydrophobicContact CE2-CD2 3.69Å; F139-L152 HydrophobicContact CG-CD1 3.42Å; F139-L152 VanDerWaalsContact CG-CD1 3.42Å; F139-L152 HydrophobicContact CG-CD2 4.18Å; F139-L152 HydrophobicContact CG-CG 4.48Å; F139-L152 HydrophobicContact CZ-CD2 3.74Å; F139-W163 HydrophobicContact CD2-CD2 4.41Å; F139-W163 HydrophobicContact CE2-CD2 4.5Å; F139-W163 HydrophobicContact CE2-CZ2 4.43Å; F139-V170 HydrophobicContact CB-CG1 3.82Å; F139-V170 HydrophobicContact CB-CG2 4.38Å; F139-V170 HydrophobicContact CD1-CG1 4.15Å; F139-V170 HydrophobicContact CD2-CB 4.36Å; F139-V170 HydrophobicContact CD2-CG1 3.8Å; F139-V170 HydrophobicContact CD2-CG2 3.7Å; F139-V170 HydrophobicContact CE2-CG1 4.34Å; F139-V170 HydrophobicContact CE2-CG2 4.28Å; F139-V170 HydrophobicContact CG-CG1 3.67Å; F139-V170 HydrophobicContact CG-CG2 4.29Å; F139-F173 HydrophobicContact CD1-CB 3.48Å; F139-F173 VanDerWaalsContact CD1-CB 3.48Å; F139-F173 HydrophobicContact CD1-CG 4.28Å; F139-F173 HydrophobicContact CE1-CB 3.8Å; F139-F173 HydrophobicContact CE1-CD1 4.21Å; F139-F173 HydrophobicContact CE1-CG 4.1Å
140	Y	97.9	Very high	96.8	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.8	177.5	-66.6	-90.8	0	0	0	110.3	I138 L142 Y145 R148 Q149 V170 Q171 S172 R174	I138-Y140 HydrophobicContact CB-CD2 4.47Å; I138-Y140 HydrophobicContact CB-CE2 3.7Å; I138-Y140 WeakPolarHBondContact CD1-OH 3.12Å; I138-Y140 HydrophobicContact CG2-CD2 4.1Å; I138-Y140 HydrophobicContact CG2-CE1 4.17Å; I138-Y140 HydrophobicContact CG2-CE2 3.48Å; I138-Y140 VanDerWaalsContact CG2-CE2 3.48Å; Y140-L142 VanDerWaalsContact C-N 3.29Å; Y140-L142 PolarHBondContact O-N 3.44Å; Y140-Y145 WeakPolarHBondContact CD1-O 3.35Å; Y140-Y145 AromaticContact CD2-CD1 3.89Å; Y140-Y145 HydrophobicContact CD2-CD1 3.89Å; Y140-Y145 HydrophobicContact CD2-CG 4.48Å; Y140-Y145 VanDerWaalsContact CE1-O 3.28Å; Y140-Y145 WeakPolarHBondContact CE1-O 3.33Å; Y140-Y145 AromaticContact CE2-CD1 3.91Å; Y140-Y145 HydrophobicContact CE2-CD1 3.91Å; Y140-Y145 HydrophobicContact CE2-CG 4.29Å; Y140-R148 WeakPolarHBondContact CA-O 3.39Å; Y140-Q149 HydrophobicContact CD1-CG 3.83Å; Y140-Q149 HydrophobicContact CE1-CB 4.45Å; Y140-Q149 HydrophobicContact CE1-CG 3.56Å; Y140-V170 WeakPolarHBondContact O-CA 3.49Å; Y140-Q171 PolarHBondContact O-N 3.12Å; Y140-S172 VanDerWaalsContact CB-OG 3.3Å; Y140-S172 WeakPolarHBondContact CB-OG 3.39Å; Y140-S172 PolarHBondContact N-O 2.99Å; Y140-S172 PolarHBondContact O-N 3.5Å; Y140-R174 HydrophobicContact CE2-CG 3.98Å; Y140-R174 PolarHBondContact OH-NE 2.73Å; Y140-R174 PolarHBondContact OH-NH2 2.78Å
141	E	96.8	Very high	96.7	Very high	71 Å²	71	38.9 Å²	38.9	33%	0.332	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	-34.7	177.5	-178.4	179.9	-167.5	0	0	112.8	R148 A169 Q171	E141-R148 HydrophobicContact CB-CB 4.15Å; E141-R148 PolarHBondContact N-O 2.87Å; E141-R148 VanDerWaalsContact OE2-CB 3.25Å; E141-R148 WeakPolarHBondContact OE2-CB 3.26Å; E141-R148 PolarHBondContact OE2-N 3.04Å; E141-A169 HydrophobicContact CG-CB 4.46Å; E141-Q171 WeakPolarHBondContact O-CB 3.2Å; E141-Q171 VanDerWaalsContact O-CG 3.28Å; E141-Q171 WeakPolarHBondContact O-CG 3.47Å
142	L	97.3	Very high	96.6	Very high	78 Å²	78	36.9 Å²	36.9	41%	0.408	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	159.5	-177.8	-59.1	176.5	0	0	0	112.1	Y140 R146 Q171 S172	Y140-L142 VanDerWaalsContact C-N 3.29Å; Y140-L142 PolarHBondContact O-N 3.44Å; L142-R146 HydrophobicContact CB-CB 4.03Å; L142-R146 WeakPolarHBondContact CB-O 3.29Å; L142-R146 HydrophobicContact CD1-CB 4.43Å; L142-R146 PolarHBondContact N-O 2.95Å; L142-Q171 VanDerWaalsContact C-CB 3.5Å; L142-S172 PolarHBondContact O-OG 2.95Å
143	P	97.9	Very high	96.4	Very high	38 Å²	38	40 Å²	40	25%	0.247	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	159	171.8	-19.6	30.4	0	0	0	112.2	Y145 Q171	P143-Y145 VanDerWaalsContact C-N 3.34Å; P143-Y145 PolarHBondContact O-N 2.78Å; P143-Q171 HydrophobicContact CG-CB 3.91Å; P143-Q171 HydrophobicContact CG-CG 4.5Å
144	N	97.5	Very high	96.3	Very high	99 Å²	99	42.6 Å²	42.6	53%	0.529	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	39.8	178.4	-58.3	-60.1	0	0	0	113.6	P116 R146	P116-N144 PolarHBondContact O-N 3.34Å; N144-R146 WeakPolarHBondContact O-CG 3.36Å; N144-R146 PolarHBondContact O-N 2.9Å
145	Y	96.6	Very high	96.4	Very high	65 Å²	65	44.6 Å²	44.6	26%	0.255	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	41.5	173.4	-40.2	-55.1	0	0	0	113.9	P116 Y140 P143 S172 F173 R174	P116-Y145 HydrophobicContact CB-CE1 4.48Å; P116-Y145 HydrophobicContact CB-CE2 4.37Å; Y140-Y145 WeakPolarHBondContact CD1-O 3.35Å; Y140-Y145 AromaticContact CD2-CD1 3.89Å; Y140-Y145 HydrophobicContact CD2-CD1 3.89Å; Y140-Y145 HydrophobicContact CD2-CG 4.48Å; Y140-Y145 VanDerWaalsContact CE1-O 3.28Å; Y140-Y145 WeakPolarHBondContact CE1-O 3.33Å; Y140-Y145 AromaticContact CE2-CD1 3.91Å; Y140-Y145 HydrophobicContact CE2-CD1 3.91Å; Y140-Y145 HydrophobicContact CE2-CG 4.29Å; P143-Y145 VanDerWaalsContact C-N 3.34Å; P143-Y145 PolarHBondContact O-N 2.78Å; Y145-S172 WeakPolarHBondContact CA-OG 3.32Å; Y145-S172 PolarHBondContact N-OG 2.99Å; Y145-F173 WeakPolarHBondContact CE1-O 3.42Å; Y145-R174 HydrophobicContact CD1-CB 4.19Å; Y145-R174 HydrophobicContact CD1-CG 4.45Å; Y145-R174 HydrophobicContact CE1-CB 3.83Å
146	R	94.9	Very high	96.6	Very high	143 Å²	143	49.1 Å²	49.1	54%	0.54	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	170.3	-177.8	-65	-169.3	-62.2	170.7	0.3	112.6	L142 N144	L142-R146 HydrophobicContact CB-CB 4.03Å; L142-R146 WeakPolarHBondContact CB-O 3.29Å; L142-R146 HydrophobicContact CD1-CB 4.43Å; L142-R146 PolarHBondContact N-O 2.95Å; N144-R146 WeakPolarHBondContact O-CG 3.36Å; N144-R146 PolarHBondContact O-N 2.9Å
147	G	94.7	Very high	96.8	Very high	37 Å²	37	49 Å²	49	38%	0.381	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77	-156.9	179.5	0	0	0	0	0	111.7
148	R	95.5	Very high	96.9	Very high	67 Å²	67	54.5 Å²	54.5	25%	0.253	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	139.8	-178.4	-169	164.4	179.4	-175.5	-0.1	111.4	Y58 Y140 E141 Y150	Y58-R148 HydrophobicContact CD1-CG 4.19Å; Y58-R148 HydrophobicContact CE1-CG 4.39Å; Y140-R148 WeakPolarHBondContact CA-O 3.39Å; E141-R148 HydrophobicContact CB-CB 4.15Å; E141-R148 PolarHBondContact N-O 2.87Å; E141-R148 VanDerWaalsContact OE2-CB 3.25Å; E141-R148 WeakPolarHBondContact OE2-CB 3.26Å; E141-R148 PolarHBondContact OE2-N 3.04Å; R148-Y150 HydrophobicContact CB-CE2 4.43Å; R148-Y150 WeakPolarHBondContact CD-OH 3.42Å; R148-Y150 HydrophobicContact CG-CE1 4.02Å; R148-Y150 HydrophobicContact CG-CE2 4.33Å
149	Q	96.9	Very high	96.9	Very high	5 Å²	5	60 Å²	60	2%	0.023	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	148.7	-179.6	-49.2	-176.1	23.4	0	0	110.9	M59 I61 M74 I138 F139 Y140	M59-Q149 HydrophobicContact CE-CB 4.05Å; I61-Q149 VanDerWaalsContact N-OE1 3.16Å; M74-Q149 VanDerWaalsContact CE-NE2 3.28Å; I138-Q149 HydrophobicContact CG2-CB 4.04Å; F139-Q149 CarbonylContact O-C 3.47Å; F139-Q149 VanDerWaalsContact O-CA 3.3Å; F139-Q149 WeakPolarHBondContact O-CA 3.45Å; Y140-Q149 HydrophobicContact CD1-CG 3.83Å; Y140-Q149 HydrophobicContact CE1-CB 4.45Å; Y140-Q149 HydrophobicContact CE1-CG 3.56Å
150	Y	96.8	Very high	96.9	Very high	9 Å²	9	61 Å²	61	4%	0.035	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	134.3	174.5	-47.3	-84.1	0	0	0	109.4	I138 F139 R148 L152 W163 A165	I138-Y150 VanDerWaalsContact CA-O 3.32Å; I138-Y150 WeakPolarHBondContact CA-O 3.47Å; F139-Y150 HydrophobicContact CB-CD2 4.01Å; F139-Y150 PolarHBondContact N-O 2.9Å; F139-Y150 PolarHBondContact O-N 3.38Å; R148-Y150 HydrophobicContact CB-CE2 4.43Å; R148-Y150 WeakPolarHBondContact CD-OH 3.42Å; R148-Y150 HydrophobicContact CG-CE1 4.02Å; R148-Y150 HydrophobicContact CG-CE2 4.33Å; Y150-L152 WeakPolarHBondContact O-CD1 3.41Å; Y150-W163 WeakPolarHBondContact CD1-O 3.42Å; Y150-W163 AromaticContact CG-CD1 3.78Å; Y150-A165 HydrophobicContact CD1-CB 4.12Å; Y150-A165 HydrophobicContact CE1-CB 3.55Å; Y150-A165 HydrophobicContact CE2-CB 4.24Å
151	L	95.9	Very high	96.8	Very high	32 Å²	32	65.7 Å²	65.7	17%	0.168	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.7	179.9	-179	64.3	0	0	0	109.1	M59 I61 V86 V136 I176	M59-L151 HydrophobicContact CE-CB 3.77Å; M59-L151 VanDerWaalsContact CE-N 3.26Å; M59-L151 HydrophobicContact SD-CB 3.68Å; I61-L151 HydrophobicContact CD1-CB 4.44Å; I61-L151 HydrophobicContact CD1-CD1 4.08Å; V86-L151 HydrophobicContact CG2-CD2 4.39Å; V136-L151 HydrophobicContact CG1-CD1 3.54Å; V136-L151 HydrophobicContact CG1-CG 4.41Å; L151-I176 HydrophobicContact CD1-CD1 3.47Å; L151-I176 VanDerWaalsContact CD1-CD1 3.47Å
152	L	96.8	Very high	96.9	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	106.7	177.7	-67.1	87.8	0	0	0	111.2	C130 V132 V136 W137 F139 Y150 Y157 W163	C130-L152 WeakPolarHBondContact SG-CD2 3.4Å; V132-L152 HydrophobicContact CG2-CB 3.79Å; V132-L152 HydrophobicContact CG2-CD2 4.15Å; V136-L152 WeakPolarHBondContact CA-O 3.28Å; V136-L152 WeakPolarHBondContact CG1-O 3.3Å; W137-L152 HydrophobicContact CB-CB 4.25Å; W137-L152 PolarHBondContact N-O 2.9Å; W137-L152 PolarHBondContact O-N 3.28Å; F139-L152 HydrophobicContact CB-CD1 3.68Å; F139-L152 HydrophobicContact CD1-CD1 3.69Å; F139-L152 HydrophobicContact CD1-CD2 4.18Å; F139-L152 HydrophobicContact CD2-CD1 3.79Å; F139-L152 HydrophobicContact CD2-CD2 3.92Å; F139-L152 HydrophobicContact CD2-CG 4.5Å; F139-L152 HydrophobicContact CE1-CD1 4.33Å; F139-L152 HydrophobicContact CE1-CD2 4Å; F139-L152 HydrophobicContact CE2-CD1 4.39Å; F139-L152 HydrophobicContact CE2-CD2 3.69Å; F139-L152 HydrophobicContact CG-CD1 3.42Å; F139-L152 VanDerWaalsContact CG-CD1 3.42Å; F139-L152 HydrophobicContact CG-CD2 4.18Å; F139-L152 HydrophobicContact CG-CG 4.48Å; F139-L152 HydrophobicContact CZ-CD2 3.74Å; Y150-L152 WeakPolarHBondContact O-CD1 3.41Å; L152-Y157 WeakPolarHBondContact CA-OH 3.38Å; L152-Y157 HydrophobicContact CB-CE2 4.09Å; L152-Y157 HydrophobicContact CD2-CD2 4.19Å; L152-Y157 HydrophobicContact CD2-CE2 4.03Å; L152-Y157 HydrophobicContact CG-CE2 4.2Å; L152-W163 HydrophobicContact CG-CB 4.35Å
153	D	94.4	Very high	96.8	Very high	72 Å²	72	62.1 Å²	62.1	39%	0.385	29%	0.294	S	S	.	.			trans	-75	164.8	169.6	-57.9	-53.1	0	0	0	110.8	V132 K155 Y157	V132-D153 WeakPolarHBondContact CB-O 3.4Å; D153-K155 VanDerWaalsContact C-N 3.33Å; D153-K155 PolarHBondContact O-N 3.37Å; D153-Y157 PolarHBondContact N-OH 2.78Å
154	K	95.4	Very high	96.7	Very high	112 Å²	112	62.1 Å²	62.1	49%	0.487	30%	0.301	S	S	.	.	S	Bend	trans	-63.5	89	171.7	-176.8	177.6	173.7	159.4	0	111.3	V132 L133 E134	V132-K154 HydrophobicContact CG1-CB 4.39Å; L133-K154 WeakPolarHBondContact O-CE 3.48Å; L133-K154 PolarHBondContact O-NZ 2.95Å; E134-K154 IonicContact OE1-NZ 3.76Å; E134-K154 PolarHBondContact OE1-NZ 2.84Å; E134-K154 IonicContact OE2-NZ 3Å; E134-K154 PolarHBondContact OE2-NZ 3.42Å
155	K	96.9	Very high	96.6	Very high	101 Å²	101	57.5 Å²	57.5	44%	0.439	28%	0.276	S	S	.	.	S	Bend	trans	-161.8	178.5	174.3	64.5	-177.7	177.1	-179.3	0	111.3	V132 D153 Y157	V132-K155 PolarHBondContact N-O 2.89Å; D153-K155 VanDerWaalsContact C-N 3.33Å; D153-K155 PolarHBondContact O-N 3.37Å; K155-Y157 HydrophobicContact CD-CE1 4.41Å; K155-Y157 HydrophobicContact CD-CE2 4.33Å; K155-Y157 WeakPolarHBondContact CE-OH 3.13Å; K155-Y157 HydrophobicContact CG-CD2 4.11Å; K155-Y157 HydrophobicContact CG-CE1 4.35Å; K155-Y157 HydrophobicContact CG-CE2 3.44Å; K155-Y157 VanDerWaalsContact CG-CE2 3.44Å
156	E	98.6	Very high	96.5	Very high	96 Å²	96	60.1 Å²	60.1	45%	0.449	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	138.8	173.6	-63.9	-164	149	0	0	111.2	F104 K131 R158	F104-E156 HydrophobicContact CE2-CB 4.38Å; F104-E156 HydrophobicContact CZ-CB 3.73Å; F104-E156 HydrophobicContact CZ-CG 4.35Å; K131-E156 HydrophobicContact CD-CG 4.39Å; K131-E156 WeakPolarHBondContact CE-OE1 3.38Å; K131-E156 HydrophobicContact CG-CG 4.24Å; K131-E156 IonicContact NZ-OE1 3.59Å; K131-E156 PolarHBondContact NZ-OE1 2.88Å; E156-R158 IonicContact OE2-NH2 2.99Å
157	Y	98.7	Very high	96.5	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	106	178.1	-62.6	-98.8	0	0	0	110	F104 S129 C130 V132 L152 D153 K155 D162 W163	F104-Y157 VanDerWaalsContact CE1-O 3.3Å; F104-Y157 WeakPolarHBondContact CE1-O 3.15Å; S129-Y157 CarbonylContact C-O 3.57Å; S129-Y157 VanDerWaalsContact CA-O 3.3Å; S129-Y157 WeakPolarHBondContact CA-O 3.44Å; S129-Y157 WeakPolarHBondContact CB-O 3.33Å; C130-Y157 PolarHBondContact N-O 3.36Å; C130-Y157 PolarHBondContact O-N 2.76Å; V132-Y157 HydrophobicContact CG2-CE2 4.15Å; L152-Y157 WeakPolarHBondContact CA-OH 3.38Å; L152-Y157 HydrophobicContact CB-CE2 4.09Å; L152-Y157 HydrophobicContact CD2-CD2 4.19Å; L152-Y157 HydrophobicContact CD2-CE2 4.03Å; L152-Y157 HydrophobicContact CG-CE2 4.2Å; D153-Y157 PolarHBondContact N-OH 2.78Å; K155-Y157 HydrophobicContact CD-CE1 4.41Å; K155-Y157 HydrophobicContact CD-CE2 4.33Å; K155-Y157 WeakPolarHBondContact CE-OH 3.13Å; K155-Y157 HydrophobicContact CG-CD2 4.11Å; K155-Y157 HydrophobicContact CG-CE1 4.35Å; K155-Y157 HydrophobicContact CG-CE2 3.44Å; K155-Y157 VanDerWaalsContact CG-CE2 3.44Å; Y157-D162 VanDerWaalsContact CD1-C 3.49Å; Y157-D162 HydrophobicContact CD1-CB 3.75Å; Y157-D162 WeakPolarHBondContact CD1-O 3.41Å; Y157-D162 WeakPolarHBondContact CE1-O 3.36Å; Y157-D162 HydrophobicContact CG-CB 4.44Å; Y157-W163 HydrophobicContact CD1-CB 3.77Å; Y157-W163 AromaticContact CD1-CE3 3.97Å; Y157-W163 HydrophobicContact CD1-CE3 3.97Å; Y157-W163 HydrophobicContact CE1-CB 3.72Å; Y157-W163 HydrophobicContact CG-CE3 4.01Å
158	R	98.6	Very high	96.6	Very high	117 Å²	117	54.7 Å²	54.7	44%	0.442	28%	0.276	S	S	.	.	S	Bend	trans	-81.7	-22.3	-171.5	-70	175.5	179.6	-89.9	-7.6	113.1	D103 F104 S129 E156 D162	D103-R158 PolarHBondContact N-O 3.31Å; D103-R158 IonicContact OD1-NH1 2.71Å; F104-R158 HydrophobicContact CE1-CG 4.38Å; F104-R158 HydrophobicContact CE2-CG 3.65Å; F104-R158 HydrophobicContact CZ-CB 4.34Å; F104-R158 HydrophobicContact CZ-CG 3.45Å; F104-R158 VanDerWaalsContact CZ-CG 3.45Å; S129-R158 WeakPolarHBondContact CB-O 3.46Å; E156-R158 IonicContact OE2-NH2 2.99Å; R158-D162 PolarHBondContact N-OD2 2.93Å
159	K	98.3	Very high	96.7	Very high	115 Å²	115	52.7 Å²	52.7	50%	0.5	27%	0.274	S	S	.	.	S	Bend	trans	-153.3	161	-177	51	178.9	177.1	-173.8	0	111.5	H128 I161 D162	H128-K159 VanDerWaalsContact O-CA 3.3Å; H128-K159 WeakPolarHBondContact O-CA 3.05Å; K159-I161 VanDerWaalsContact C-N 3.27Å; K159-I161 HydrophobicContact CD-CG2 3.6Å; K159-I161 HydrophobicContact CG-CG2 3.76Å; K159-I161 PolarHBondContact O-N 2.87Å; K159-I161 VanDerWaalsContact O-N 3.15Å; K159-D162 VanDerWaalsContact CE-OD1 3.26Å; K159-D162 WeakPolarHBondContact CE-OD1 3.23Å; K159-D162 WeakPolarHBondContact CG-OD1 3.22Å; K159-D162 WeakPolarHBondContact CG-OD2 3.23Å; K159-D162 PolarHBondContact N-OD2 3.37Å; K159-D162 VanDerWaalsContact N-OD2 3.08Å; K159-D162 VanDerWaalsContact O-CB 3.27Å; K159-D162 WeakPolarHBondContact O-CB 3.31Å; K159-D162 PolarHBondContact O-N 2.75Å
160	P	98.3	Very high	96.8	Very high	22 Å²	22	52.5 Å²	52.5	14%	0.143	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-60.3	-30.5	-173.8	-25.9	34.6	0	0	0	116.5	H128 D162 W163 G164 A165 P168	H128-P160 WeakPolarHBondContact O-CD 3.35Å; P160-D162 PolarHBondContact O-N 3.43Å; P160-W163 VanDerWaalsContact CA-CE2 3.42Å; P160-W163 HydrophobicContact CB-CH2 4.04Å; P160-W163 HydrophobicContact CB-CZ2 3.52Å; P160-W163 HydrophobicContact CG-CH2 3.97Å; P160-W163 HydrophobicContact CG-CZ2 3.81Å; P160-W163 PolarHBondContact O-N 2.97Å; P160-W163 PolarHBondContact O-NE1 2.9Å; P160-G164 PolarHBondContact O-N 3.34Å; P160-A165 CarbonylContact C-O 3.55Å; P160-A165 HydrophobicContact CB-CB 4.19Å; P160-A165 PolarHBondContact O-N 2.86Å; P160-A165 VanDerWaalsContact O-N 3.08Å; P160-P168 HydrophobicContact CG-CB 3.75Å
161	I	97.2	Very high	96.9	Very high	100 Å²	100	53.9 Å²	53.9	51%	0.513	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-65.2	-22.3	177.3	-165.7	62.4	0	0	0	112.5	K159 W163 G164 A165	K159-I161 VanDerWaalsContact C-N 3.27Å; K159-I161 HydrophobicContact CD-CG2 3.6Å; K159-I161 HydrophobicContact CG-CG2 3.76Å; K159-I161 PolarHBondContact O-N 2.87Å; K159-I161 VanDerWaalsContact O-N 3.15Å; I161-W163 VanDerWaalsContact C-N 3.25Å; I161-W163 PolarHBondContact O-N 3.07Å; I161-G164 PolarHBondContact O-N 3.04Å; I161-A165 WeakPolarHBondContact CA-O 3.41Å; I161-A165 PolarHBondContact N-O 2.88Å
162	D	97.6	Very high	97	Very high	61 Å²	61	52.3 Å²	52.3	33%	0.326	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-68.4	-25.6	179.7	-59.1	-18.6	0	0	0	111.9	Y157 R158 K159 P160	Y157-D162 VanDerWaalsContact CD1-C 3.49Å; Y157-D162 HydrophobicContact CD1-CB 3.75Å; Y157-D162 WeakPolarHBondContact CD1-O 3.41Å; Y157-D162 WeakPolarHBondContact CE1-O 3.36Å; Y157-D162 HydrophobicContact CG-CB 4.44Å; R158-D162 PolarHBondContact N-OD2 2.93Å; K159-D162 VanDerWaalsContact CE-OD1 3.26Å; K159-D162 WeakPolarHBondContact CE-OD1 3.23Å; K159-D162 WeakPolarHBondContact CG-OD1 3.22Å; K159-D162 WeakPolarHBondContact CG-OD2 3.23Å; K159-D162 PolarHBondContact N-OD2 3.37Å; K159-D162 VanDerWaalsContact N-OD2 3.08Å; K159-D162 VanDerWaalsContact O-CB 3.27Å; K159-D162 WeakPolarHBondContact O-CB 3.31Å; K159-D162 PolarHBondContact O-N 2.75Å; P160-D162 PolarHBondContact O-N 3.43Å
163	W	96.1	Very high	97.1	Very high	13 Å²	13	52.3 Å²	52.3	5%	0.049	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-100.5	10.9	169.8	61.6	79.5	0	0	0	113.1	I127 F139 Y150 L152 Y157 P160 I161 V170	I127-W163 HydrophobicContact CG2-CH2 4.18Å; I127-W163 WeakPolarHBondContact O-CH2 3.38Å; I127-W163 WeakPolarHBondContact O-CZ2 3.31Å; F139-W163 HydrophobicContact CD2-CD2 4.41Å; F139-W163 HydrophobicContact CE2-CD2 4.5Å; F139-W163 HydrophobicContact CE2-CZ2 4.43Å; Y150-W163 WeakPolarHBondContact CD1-O 3.42Å; Y150-W163 AromaticContact CG-CD1 3.78Å; L152-W163 HydrophobicContact CG-CB 4.35Å; Y157-W163 HydrophobicContact CD1-CB 3.77Å; Y157-W163 AromaticContact CD1-CE3 3.97Å; Y157-W163 HydrophobicContact CD1-CE3 3.97Å; Y157-W163 HydrophobicContact CE1-CB 3.72Å; Y157-W163 HydrophobicContact CG-CE3 4.01Å; P160-W163 VanDerWaalsContact CA-CE2 3.42Å; P160-W163 HydrophobicContact CB-CH2 4.04Å; P160-W163 HydrophobicContact CB-CZ2 3.52Å; P160-W163 HydrophobicContact CG-CH2 3.97Å; P160-W163 HydrophobicContact CG-CZ2 3.81Å; P160-W163 PolarHBondContact O-N 2.97Å; P160-W163 PolarHBondContact O-NE1 2.9Å; I161-W163 VanDerWaalsContact C-N 3.25Å; I161-W163 PolarHBondContact O-N 3.07Å; W163-V170 HydrophobicContact CZ2-CG2 4.39Å
164	G	94.4	Very high	97.2	Very high	38 Å²	38	51.8 Å²	51.8	39%	0.392	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	13.3	175.4	0	0	0	0	0	115.3	P160 I161	P160-G164 PolarHBondContact O-N 3.34Å; I161-G164 PolarHBondContact O-N 3.04Å
165	A	95.9	Very high	97.3	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	25%	0.25	C	C	.	.			trans	-87.3	146.1	173.8	0	0	0	0	0	112.1	Y150 P160 I161 S167	Y150-A165 HydrophobicContact CD1-CB 4.12Å; Y150-A165 HydrophobicContact CE1-CB 3.55Å; Y150-A165 HydrophobicContact CE2-CB 4.24Å; P160-A165 CarbonylContact C-O 3.55Å; P160-A165 HydrophobicContact CB-CB 4.19Å; P160-A165 PolarHBondContact O-N 2.86Å; P160-A165 VanDerWaalsContact O-N 3.08Å; I161-A165 WeakPolarHBondContact CA-O 3.41Å; I161-A165 PolarHBondContact N-O 2.88Å; A165-S167 VanDerWaalsContact CB-O 3.3Å; A165-S167 WeakPolarHBondContact CB-O 3.35Å
166	V	93.9	Very high	97	Very high	121 Å²	121	44.1 Å²	44.1	73%	0.733	23%	0.23	S	C	*	.	S	Bend	trans	-90.1	-12.5	173.9	-63.8	0	0	0	0	112.7
167	S	96.3	Very high	96.5	Very high	42 Å²	42	43.6 Å²	43.6	29%	0.294	23%	0.233	S	C	.	.	S	Bend	trans	-139.8	160	178.4	69.8	0	0	0	0	109.6	A165 A169	A165-S167 VanDerWaalsContact CB-O 3.3Å; A165-S167 WeakPolarHBondContact CB-O 3.35Å; S167-A169 PolarHBondContact O-N 3.42Å; S167-A169 WeakPolarHBondContact OG-CB 3.43Å
168	P	97.4	Very high	95.1	Very high	23 Å²	23	52.3 Å²	52.3	15%	0.149	27%	0.274	C	S	.	.			trans	-78.8	10.9	176.4	36.3	-40.3	0	0	0	113.3	E126 I127 P160 V170	E126-P168 WeakPolarHBondContact CA-O 3.3Å; E126-P168 HydrophobicContact CB-CB 4.09Å; E126-P168 HydrophobicContact CB-CG 4.16Å; E126-P168 VanDerWaalsContact CD-CG 3.45Å; E126-P168 HydrophobicContact CG-CG 4.08Å; E126-P168 WeakPolarHBondContact OE2-CG 3.49Å; I127-P168 PolarHBondContact N-O 3.38Å; I127-P168 WeakPolarHBondContact O-CB 3.25Å; P160-P168 HydrophobicContact CG-CB 3.75Å; P168-V170 PolarHBondContact O-N 3.29Å
169	A	97.5	Very high	95	Very high	26 Å²	26	49.1 Å²	49.1	22%	0.215	27%	0.265	C	S	.	.			trans	-70.8	101.2	-176.5	0	0	0	0	0	110.8	E141 S167	E141-A169 HydrophobicContact CG-CB 4.46Å; S167-A169 PolarHBondContact O-N 3.42Å; S167-A169 WeakPolarHBondContact OG-CB 3.43Å
170	V	98.3	Very high	94.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.253	C	S	.	.			trans	-133.8	128.7	172.1	-175.6	0	0	0	0	106.8	I118 I127 F139 Y140 W163 P168	I118-V170 HydrophobicContact CD1-CB 4.26Å; I118-V170 HydrophobicContact CD1-CG1 3.78Å; I118-V170 WeakPolarHBondContact CD1-O 3.29Å; I127-V170 HydrophobicContact CB-CB 4.27Å; I127-V170 HydrophobicContact CB-CG2 4.42Å; I127-V170 HydrophobicContact CD1-CB 4.1Å; I127-V170 HydrophobicContact CD1-CG1 3.99Å; I127-V170 HydrophobicContact CG1-CB 4.31Å; F139-V170 HydrophobicContact CB-CG1 3.82Å; F139-V170 HydrophobicContact CB-CG2 4.38Å; F139-V170 HydrophobicContact CD1-CG1 4.15Å; F139-V170 HydrophobicContact CD2-CB 4.36Å; F139-V170 HydrophobicContact CD2-CG1 3.8Å; F139-V170 HydrophobicContact CD2-CG2 3.7Å; F139-V170 HydrophobicContact CE2-CG1 4.34Å; F139-V170 HydrophobicContact CE2-CG2 4.28Å; F139-V170 HydrophobicContact CG-CG1 3.67Å; F139-V170 HydrophobicContact CG-CG2 4.29Å; Y140-V170 WeakPolarHBondContact O-CA 3.49Å; W163-V170 HydrophobicContact CZ2-CG2 4.39Å; P168-V170 PolarHBondContact O-N 3.29Å
171	Q	98.4	Very high	94.6	Very high	38 Å²	38	46.9 Å²	46.9	18%	0.178	26%	0.259	C	S	.	.			trans	-127.4	-12.1	-174.8	-70.1	-65.9	-78.9	0	0	114	S117 I118 R125 Y140 E141 L142 P143	S117-Q171 WeakPolarHBondContact CA-O 3.49Å; I118-Q171 PolarHBondContact N-O 3.44Å; R125-Q171 PolarHBondContact O-NE2 3.05Å; Y140-Q171 PolarHBondContact O-N 3.12Å; E141-Q171 WeakPolarHBondContact O-CB 3.2Å; E141-Q171 VanDerWaalsContact O-CG 3.28Å; E141-Q171 WeakPolarHBondContact O-CG 3.47Å; L142-Q171 VanDerWaalsContact C-CB 3.5Å; P143-Q171 HydrophobicContact CG-CB 3.91Å; P143-Q171 HydrophobicContact CG-CG 4.5Å
172	S	98.6	Very high	94.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	160.3	167.5	59.7	0	0	0	0	111.3	C115 P116 Y140 L142 Y145	C115-S172 CarbonylContact O-C 3.55Å; C115-S172 WeakPolarHBondContact O-CA 3.43Å; C115-S172 WeakPolarHBondContact O-CB 3.47Å; P116-S172 VanDerWaalsContact O-CB 3.3Å; P116-S172 WeakPolarHBondContact O-CB 2.91Å; Y140-S172 VanDerWaalsContact CB-OG 3.3Å; Y140-S172 WeakPolarHBondContact CB-OG 3.39Å; Y140-S172 PolarHBondContact N-O 2.99Å; Y140-S172 PolarHBondContact O-N 3.5Å; L142-S172 PolarHBondContact O-OG 2.95Å; Y145-S172 WeakPolarHBondContact CA-OG 3.32Å; Y145-S172 PolarHBondContact N-OG 2.99Å
173	F	98.5	Very high	94.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	153.8	173.4	59.7	-98.5	0	0	0	111.9	I96 I98 T111 C115 I118 F122 W137 I138 F139 Y145	I96-F173 HydrophobicContact CG2-CD2 4.48Å; I96-F173 HydrophobicContact CG2-CE2 3.94Å; I96-F173 HydrophobicContact CG2-CZ 4.39Å; I98-F173 HydrophobicContact CD1-CE1 4.03Å; T111-F173 HydrophobicContact CG2-CE2 3.59Å; T111-F173 HydrophobicContact CG2-CZ 3.57Å; C115-F173 HydrophobicContact CB-CD1 3.92Å; C115-F173 HydrophobicContact CB-CD2 4.03Å; C115-F173 HydrophobicContact CB-CE1 3.49Å; C115-F173 VanDerWaalsContact CB-CE1 3.49Å; C115-F173 HydrophobicContact CB-CE2 3.62Å; C115-F173 HydrophobicContact CB-CG 4.17Å; C115-F173 HydrophobicContact CB-CZ 3.34Å; C115-F173 PolarHBondContact N-O 3.48Å; C115-F173 PolarHBondContact O-N 3.15Å; I118-F173 HydrophobicContact CD1-CD1 4.01Å; I118-F173 HydrophobicContact CD1-CE1 4.29Å; I118-F173 HydrophobicContact CG1-CD1 4.12Å; I118-F173 HydrophobicContact CG1-CE1 4.04Å; F122-F173 HydrophobicContact CE2-CE1 4.07Å; F122-F173 AromaticContact CE2-CZ 3.97Å; F122-F173 HydrophobicContact CE2-CZ 3.97Å; W137-F173 AromaticContact CE3-CD2 3.7Å; W137-F173 HydrophobicContact CE3-CD2 3.7Å; W137-F173 HydrophobicContact CE3-CE2 4.23Å; W137-F173 AromaticContact CZ3-CD2 3.61Å; W137-F173 HydrophobicContact CZ3-CD2 3.61Å; W137-F173 AromaticContact CZ3-CE2 3.74Å; W137-F173 HydrophobicContact CZ3-CE2 3.74Å; I138-F173 CarbonylContact O-C 3.58Å; I138-F173 WeakPolarHBondContact O-CA 3.42Å; I138-F173 VanDerWaalsContact O-CB 3.25Å; I138-F173 WeakPolarHBondContact O-CB 3.19Å; F139-F173 HydrophobicContact CD1-CB 3.48Å; F139-F173 VanDerWaalsContact CD1-CB 3.48Å; F139-F173 HydrophobicContact CD1-CG 4.28Å; F139-F173 HydrophobicContact CE1-CB 3.8Å; F139-F173 HydrophobicContact CE1-CD1 4.21Å; F139-F173 HydrophobicContact CE1-CG 4.1Å; Y145-F173 WeakPolarHBondContact CE1-O 3.42Å
174	R	97.4	Very high	94.1	Very high	61 Å²	61	44.7 Å²	44.7	23%	0.23	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	158.9	175.9	76.8	-167.6	177.1	95.3	0.6	112.1	D114 W137 I138 Y140 Y145	D114-R174 HydrophobicContact CB-CB 3.95Å; D114-R174 VanDerWaalsContact OD1-CA 3.28Å; D114-R174 WeakPolarHBondContact OD1-CA 3.39Å; D114-R174 WeakPolarHBondContact OD1-CB 3.49Å; W137-R174 CarbonylContact C-O 3.56Å; W137-R174 WeakPolarHBondContact CA-O 3.24Å; I138-R174 HydrophobicContact CD1-CG 4.44Å; I138-R174 PolarHBondContact N-O 2.87Å; I138-R174 PolarHBondContact O-N 3.16Å; Y140-R174 HydrophobicContact CE2-CG 3.98Å; Y140-R174 PolarHBondContact OH-NE 2.73Å; Y140-R174 PolarHBondContact OH-NH2 2.78Å; Y145-R174 HydrophobicContact CD1-CB 4.19Å; Y145-R174 HydrophobicContact CD1-CG 4.45Å; Y145-R174 HydrophobicContact CE1-CB 3.83Å
175	R	95.8	Very high	94.1	Very high	47 Å²	47	45.2 Å²	45.2	18%	0.177	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	148.7	172.8	-61.5	167.6	-72.2	-165	4	110.5	Y94 T112 E113 D114 W137 V177	Y94-R175 VanDerWaalsContact CB-CD 3.43Å; Y94-R175 HydrophobicContact CD1-CB 3.62Å; Y94-R175 HydrophobicContact CD1-CG 3.52Å; Y94-R175 HydrophobicContact CD2-CG 4.45Å; Y94-R175 HydrophobicContact CE1-CB 3.79Å; Y94-R175 HydrophobicContact CE1-CG 4.23Å; Y94-R175 HydrophobicContact CG-CB 4.1Å; Y94-R175 VanDerWaalsContact CG-CD 3.45Å; Y94-R175 HydrophobicContact CG-CG 3.66Å; T112-R175 VanDerWaalsContact O-CD 3.3Å; T112-R175 WeakPolarHBondContact O-CD 3.43Å; T112-R175 PolarHBondContact O-NH1 2.94Å; E113-R175 VanDerWaalsContact CD-NH1 3.29Å; E113-R175 IonicContact OE1-NH1 2.75Å; E113-R175 PolarHBondContact OE1-NH1 3.35Å; E113-R175 IonicContact OE2-CZ 3.55Å; E113-R175 VanDerWaalsContact OE2-CZ 3.23Å; E113-R175 IonicContact OE2-NH1 2.73Å; E113-R175 PolarHBondContact OE2-NH1 3.5Å; E113-R175 IonicContact OE2-NH2 3.94Å; E113-R175 PolarHBondContact OE2-NH2 3.08Å; D114-R175 WeakPolarHBondContact OD1-CB 3.48Å; D114-R175 WeakPolarHBondContact OD1-CG 3.24Å; D114-R175 IonicContact OD1-CZ 2.88Å; D114-R175 PolarHBondContact OD1-N 3.46Å; D114-R175 IonicContact OD1-NE 3.79Å; D114-R175 PolarHBondContact OD1-NE 2.72Å; D114-R175 IonicContact OD1-NH2 3.27Å; D114-R175 IonicContact OD2-CZ 3.23Å; D114-R175 IonicContact OD2-NE 3.74Å; D114-R175 IonicContact OD2-NH2 2.82Å; D114-R175 PolarHBondContact OD2-NH2 3.49Å; W137-R175 HydrophobicContact CD2-CG 4.1Å; W137-R175 HydrophobicContact CE3-CG 3.78Å; W137-R175 HydrophobicContact CH2-CG 3.53Å; W137-R175 HydrophobicContact CZ2-CG 3.85Å; W137-R175 HydrophobicContact CZ3-CG 3.48Å; W137-R175 VanDerWaalsContact CZ3-CG 3.48Å; R175-V177 HydrophobicContact CB-CG1 4.23Å
176	I	91.8	Very high	94	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.021	26%	0.26	C	S	.	.			trans	-95.1	107.4	164.9	-52.5	-174.9	0	0	0	107.8	T46 I61 V86 L88 Y94 V136 I138 L151	T46-I176 HydrophobicContact CG2-CG2 3.77Å; I61-I176 HydrophobicContact CG2-CD1 4.02Å; V86-I176 HydrophobicContact CG1-CD1 4.12Å; L88-I176 HydrophobicContact CD2-CB 3.97Å; L88-I176 HydrophobicContact CD2-CG2 3.78Å; L88-I176 WeakPolarHBondContact CD2-O 3.48Å; Y94-I176 WeakPolarHBondContact CE1-O 3.41Å; Y94-I176 PolarHBondContact OH-O 2.81Å; V136-I176 HydrophobicContact CG1-CD1 3.8Å; V136-I176 HydrophobicContact CG1-CG1 4.38Å; V136-I176 PolarHBondContact O-N 3.28Å; I138-I176 HydrophobicContact CD1-CD1 3.99Å; I138-I176 HydrophobicContact CD1-CG1 3.77Å; I138-I176 HydrophobicContact CG1-CD1 3.65Å; I138-I176 HydrophobicContact CG1-CG1 3.55Å; L151-I176 HydrophobicContact CD1-CD1 3.47Å; L151-I176 VanDerWaalsContact CD1-CD1 3.47Å
177	V	86.6	Confident	94	Very high	85 Å²	85	42.6 Å²	42.6	52%	0.515	22%	0.22	S	C	.	.			trans	-110.3	143.5	175.1	-62.9	0	0	0	0	109	Y94 R175	Y94-V177 HydrophobicContact CE2-CG1 3.94Å; R175-V177 HydrophobicContact CB-CG1 4.23Å
178	E	70.8	Confident	93.7	Very high	185 Å²	185	42.6 Å²	42.6	86%	0.864	21%	0.214	S	C	*	.			trans	-88	0	166.9	-100.1	175.3	-170.6	0	0	110.7	L88	L88-E178 HydrophobicContact CD1-CB 3.84Å; L88-E178 HydrophobicContact CD1-CG 3.54Å

Retrieved 178 of 178 residues in 275 ms (Link to these results)

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