A0A077SA20_DASNO Loading...

Sperm acrosome membrane-associated protein 3

Sperm surface membrane protein that may be involved in sperm-egg plasma membrane adhesion and fusion during fertilization. It could be a potential receptor for the egg oligosaccharide residue N-acetylglucosamine, which is present in the extracellular matrix over the egg plasma membrane. The processed form has no detectable bacteriolytic activity in vitro.

AlphaFold DB , UniProt , Accession A0A077SA20, Species DASNO (Dasypus novemcinctus, Nine-banded armadillo), Gene LYZC, Length 163 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	38.3	Very low	49.7	Very low	249 Å²	249	189.3 Å²	189.3	100%	1.227	89%	0.887	S	S	*	*				0	95.6	0	-72.6	171.8	-170.1	0	0	107.6
2	E	42.4	Very low	50.1	Low	188 Å²	188	187.3 Å²	187.3	88%	0.879	89%	0.885	S	S	*	*			trans	14.1	114.4	160.5	-59.8	-81.6	104.7	0	0	119.7
3	A	43.8	Very low	50.4	Low	102 Å²	102	185 Å²	185	84%	0.843	87%	0.873	S	S	*	*			trans	-79.9	125.1	163.2	0	0	0	0	0	110.3	S5	A3-S5 PolarHBondContact O-N 2.92Å
4	R	48.9	Very low	50.6	Low	251 Å²	251	177.9 Å²	177.9	95%	0.947	85%	0.85	S	S	*	*			trans	-79.9	111.5	176	-71.5	-176.7	174.5	-157.5	-1.3	110.2
5	S	49.7	Very low	50.8	Low	107 Å²	107	175.3 Å²	175.3	75%	0.748	85%	0.854	S	S	*	*			trans	-75.1	133.9	169.9	55.9	0	0	0	0	110.7	A3	A3-S5 PolarHBondContact O-N 2.92Å
6	W	46.6	Very low	51.2	Low	264 Å²	264	166.8 Å²	166.8	100%	1	83%	0.826	S	S	*	*			trans	-101.1	106.2	174.4	-140.7	35.1	0	0	0	108.5	S8	W6-S8 PolarHBondContact O-N 3.15Å
7	V	53	Low	51.6	Low	124 Å²	124	162.8 Å²	162.8	75%	0.752	81%	0.813	S	S	*	*			trans	-83.2	111.1	175.3	175.9	0	0	0	0	108.6	R9	V7-R9 PolarHBondContact O-N 3.02Å
8	S	55.2	Low	51.8	Low	110 Å²	110	155.9 Å²	155.9	77%	0.769	79%	0.791	S	S	*	*			trans	-70.8	109.8	172.5	-163.6	0	0	0	0	109.6	W6 R10	W6-S8 PolarHBondContact O-N 3.15Å; S8-R10 PolarHBondContact O-N 2.93Å; S8-R10 VanDerWaalsContact O-N 3.16Å
9	R	58.4	Low	52.2	Low	234 Å²	234	155.5 Å²	155.5	88%	0.883	79%	0.787	S	S	*	*			trans	-67.5	109.1	171.8	-75.7	-177.5	-161.9	-128.6	0.9	108.7	V7 R11	V7-R9 PolarHBondContact O-N 3.02Å; R9-R11 PolarHBondContact O-N 3.34Å
10	R	53.1	Low	52.4	Low	236 Å²	236	154.2 Å²	154.2	89%	0.891	78%	0.782	S	S	*	*			trans	-64.9	112.8	165.7	-74.2	-174.6	-109.4	-143.9	-1.8	108.6	S8 L12	S8-R10 PolarHBondContact O-N 2.93Å; S8-R10 VanDerWaalsContact O-N 3.16Å; R10-L12 PolarHBondContact O-N 3.01Å
11	R	57.1	Low	52.7	Low	217 Å²	217	149.3 Å²	149.3	82%	0.819	77%	0.765	S	S	*	*			trans	-65.8	112.7	163.3	-89.1	-173.9	-103.6	-117.7	0.1	107.6	R9 H13	R9-R11 PolarHBondContact O-N 3.34Å; R11-H13 PolarHBondContact O-N 3.48Å
12	L	54.8	Low	53.6	Low	166 Å²	166	144.2 Å²	144.2	87%	0.869	74%	0.737	S	S	*	*			trans	-70.1	106	166.7	-120.6	72.9	0	0	0	107.1	R10	R10-L12 PolarHBondContact O-N 3.01Å
13	H	53.4	Low	54.4	Low	157 Å²	157	139.9 Å²	139.9	73%	0.727	72%	0.722	S	S	*	*			trans	-77	127	167.2	-75.6	-82.6	0	0	0	108.3	R11	R11-H13 PolarHBondContact O-N 3.48Å
14	P	53.2	Low	55.2	Low	85 Å²	85	139 Å²	139	55%	0.552	71%	0.71	S	S	*	*			trans	-66.1	134.6	171.5	17.2	-16.4	0	0	0	109.1	G16	P14-G16 PolarHBondContact O-N 3.2Å
15	P	54.7	Low	55.7	Low	139 Å²	139	132.5 Å²	132.5	90%	0.903	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	4.1	-173.3	26.2	-33.5	0	0	0	114.9
16	G	56.1	Low	56	Low	40 Å²	40	132.8 Å²	132.8	41%	0.412	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.8	-17.7	-171.8	0	0	0	0	0	116.7	P14 G18 M19	P14-G16 PolarHBondContact O-N 3.2Å; G16-G18 PolarHBondContact O-N 3.25Å; G16-M19 PolarHBondContact O-N 2.9Å
17	T	57.6	Low	56.5	Low	98 Å²	98	124.3 Å²	124.3	60%	0.601	67%	0.667	S	S	*	*	H	α-helix	trans	-76.7	-26.7	-169.9	-31	0	0	0	0	113.3
18	G	55.9	Low	56.6	Low	40 Å²	40	123.3 Å²	123.3	41%	0.412	67%	0.665	S	S	.	*	H	α-helix	trans	-71	-41.2	174.8	0	0	0	0	0	112.3	G16 L20 A21 F22	G16-G18 PolarHBondContact O-N 3.25Å; G18-L20 PolarHBondContact O-N 3.23Å; G18-A21 PolarHBondContact O-N 2.74Å; G18-F22 WeakPolarHBondContact O-CD2 3.26Å; G18-F22 PolarHBondContact O-N 3.22Å; G18-F22 VanDerWaalsContact O-N 3.1Å
19	M	58.8	Low	56.6	Low	147 Å²	147	124.8 Å²	124.8	72%	0.724	66%	0.663	S	S	*	*	H	α-helix	trans	-65.2	-37.7	-172.6	-163.1	172	-108.9	0	0	112.5	G16 V23	G16-M19 PolarHBondContact O-N 2.9Å; M19-V23 VanDerWaalsContact O-CG2 3.31Å; M19-V23 WeakPolarHBondContact O-CG2 3.26Å; M19-V23 PolarHBondContact O-N 3.26Å; M19-V23 VanDerWaalsContact O-N 3.17Å
20	L	56.2	Low	56.4	Low	129 Å²	129	120.3 Å²	120.3	68%	0.675	66%	0.656	S	S	*	*	H	α-helix	trans	-67.8	-40.1	176.1	-68.8	169.9	0	0	0	112.6	G18 V23 S24	G18-L20 PolarHBondContact O-N 3.23Å; L20-V23 PolarHBondContact O-N 3.22Å; L20-S24 PolarHBondContact O-N 3.48Å; L20-S24 VanDerWaalsContact O-N 3.14Å; L20-S24 PolarHBondContact O-OG 3.19Å
21	A	58.5	Low	56.6	Low	53 Å²	53	115.8 Å²	115.8	44%	0.438	65%	0.649	S	S	.	*	H	α-helix	trans	-66.3	-37.4	177.8	0	0	0	0	0	112.2	G18 L25	G18-A21 PolarHBondContact O-N 2.74Å; A21-L25 WeakPolarHBondContact O-CD1 3.36Å; A21-L25 WeakPolarHBondContact O-CG 3.45Å; A21-L25 PolarHBondContact O-N 2.87Å; A21-L25 VanDerWaalsContact O-N 3.13Å
22	F	57.2	Low	56.5	Low	142 Å²	142	110 Å²	110	62%	0.623	64%	0.639	S	S	*	*	H	α-helix	trans	-67.7	-40	175.9	-78.4	-69.5	0	0	0	112.6	G18 L25 L26	G18-F22 WeakPolarHBondContact O-CD2 3.26Å; G18-F22 PolarHBondContact O-N 3.22Å; G18-F22 VanDerWaalsContact O-N 3.1Å; F22-L25 PolarHBondContact O-N 3.34Å; F22-L26 WeakPolarHBondContact O-CB 3.22Å; F22-L26 WeakPolarHBondContact O-CD1 3.21Å; F22-L26 PolarHBondContact O-N 3.38Å
23	V	60.3	Low	56.7	Low	96 Å²	96	108.1 Å²	108.1	58%	0.582	64%	0.64	S	S	*	*	H	α-helix	trans	-65.1	-39.2	176.9	173.7	0	0	0	0	111.5	M19 L20 L26 S27	M19-V23 VanDerWaalsContact O-CG2 3.31Å; M19-V23 WeakPolarHBondContact O-CG2 3.26Å; M19-V23 PolarHBondContact O-N 3.26Å; M19-V23 VanDerWaalsContact O-N 3.17Å; L20-V23 PolarHBondContact O-N 3.22Å; V23-L26 PolarHBondContact O-N 3.42Å; V23-S27 PolarHBondContact O-N 2.93Å
24	S	59.7	Low	57.4	Low	83 Å²	83	102.5 Å²	102.5	58%	0.58	62%	0.624	S	S	*	*	H	α-helix	trans	-65.4	-37.6	174.5	-59.9	0	0	0	0	113.1	L20	L20-S24 PolarHBondContact O-N 3.48Å; L20-S24 VanDerWaalsContact O-N 3.14Å; L20-S24 PolarHBondContact O-OG 3.19Å
25	L	59.4	Low	58.6	Low	116 Å²	116	101.9 Å²	101.9	61%	0.607	63%	0.626	S	S	*	*	H	α-helix	trans	-71	-36.7	177	-77.5	161.8	0	0	0	112.9	A21 F22 S27 C28	A21-L25 WeakPolarHBondContact O-CD1 3.36Å; A21-L25 WeakPolarHBondContact O-CG 3.45Å; A21-L25 PolarHBondContact O-N 2.87Å; A21-L25 VanDerWaalsContact O-N 3.13Å; F22-L25 PolarHBondContact O-N 3.34Å; L25-S27 VanDerWaalsContact C-N 3.33Å; L25-C28 PolarHBondContact O-N 3.02Å
26	L	56.3	Low	60.5	Low	112 Å²	112	98.3 Å²	98.3	59%	0.586	60%	0.597	S	S	*	*	H	α-helix	trans	-67.3	-32.2	175.6	-92.3	144.2	0	0	0	112.7	F22 V23 C28 L29	F22-L26 WeakPolarHBondContact O-CB 3.22Å; F22-L26 WeakPolarHBondContact O-CD1 3.21Å; F22-L26 PolarHBondContact O-N 3.38Å; V23-L26 PolarHBondContact O-N 3.42Å; L26-C28 PolarHBondContact O-N 2.91Å; L26-L29 PolarHBondContact O-N 2.88Å
27	S	57.9	Low	62.5	Low	86 Å²	86	100.9 Å²	100.9	60%	0.601	60%	0.604	S	S	*	*	H	α-helix	trans	-66	-34.1	177.1	-168	0	0	0	0	113	V23 L25 L29 L30	V23-S27 PolarHBondContact O-N 2.93Å; L25-S27 VanDerWaalsContact C-N 3.33Å; S27-L29 PolarHBondContact O-N 2.03Å; S27-L30 PolarHBondContact O-N 2.94Å
28	C	54.9	Low	64.4	Low	104 Å²	104	96.6 Å²	96.6	70%	0.703	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-14.6	176.6	-88.4	0	0	0	0	114.5	L25 L26	L25-C28 PolarHBondContact O-N 3.02Å; L26-C28 PolarHBondContact O-N 2.91Å
29	L	55.5	Low	66.5	Low	140 Å²	140	97.9 Å²	97.9	73%	0.733	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-4	-178.5	-70.4	166.3	0	0	0	113.5	L26 S27	L26-L29 PolarHBondContact O-N 2.88Å; S27-L29 PolarHBondContact O-N 2.03Å
30	L	53.8	Low	68.4	Low	141 Å²	141	94.5 Å²	94.5	74%	0.738	56%	0.559	S	S	*	*			trans	-101	22	-176.9	-63.2	176.3	0	0	0	113.4	S27 P32	S27-L30 PolarHBondContact O-N 2.94Å; L30-P32 VanDerWaalsContact O-CD 3.24Å; L30-P32 WeakPolarHBondContact O-CD 3.33Å
31	L	57.4	Low	70.4	Confident	140 Å²	140	90 Å²	90	73%	0.733	54%	0.538	S	S	*	.	S	Bend	trans	-73.6	117.5	164.5	-67.5	177.9	0	0	0	107.5	S33	L31-S33 PolarHBondContact O-N 3.03Å
32	P	55	Low	72.3	Confident	95 Å²	95	90 Å²	90	62%	0.617	53%	0.529	S	S	*	.			trans	-61.5	104.2	174.5	23.5	-29.9	0	0	0	108	L30 G34 P120	L30-P32 VanDerWaalsContact O-CD 3.24Å; L30-P32 WeakPolarHBondContact O-CD 3.33Å; P32-G34 PolarHBondContact O-N 2.97Å; P32-P120 HydrophobicContact CB-CG 4.06Å; P32-P120 HydrophobicContact CG-CG 3.88Å; P32-P120 WeakPolarHBondContact O-CD 3.37Å; P32-P120 WeakPolarHBondContact O-CG 3.47Å
33	S	58.5	Low	74.2	Confident	128 Å²	128	83.2 Å²	83.2	90%	0.895	50%	0.499	S	S	*	.			trans	-84.3	21.3	177.8	58.4	0	0	0	0	112.3	L31	L31-S33 PolarHBondContact O-N 3.03Å
34	G	67.8	Low	76.1	Confident	38 Å²	38	78.6 Å²	78.6	39%	0.392	47%	0.471	S	S	.	.	S	Bend	trans	-106.2	151.7	-172	0	0	0	0	0	113.8	P32 P120	P32-G34 PolarHBondContact O-N 2.97Å; G34-P120 VanDerWaalsContact O-CD 3.29Å; G34-P120 WeakPolarHBondContact O-CD 3.25Å
35	A	78.5	Confident	77.9	Confident	72 Å²	72	79.3 Å²	79.3	60%	0.595	46%	0.461	S	S	*	.			trans	-56.9	139.4	163.7	0	0	0	0	0	110.5	A76	A35-A76 HydrophobicContact CB-CB 3.31Å
36	K	95.4	Very high	79.7	Confident	64 Å²	64	76.5 Å²	76.5	28%	0.278	45%	0.445	S	S	.	.			trans	-124.5	135.4	174.1	-179.8	173.6	175	74.9	0	109.8	F38 E42 T75 P120	K36-F38 HydrophobicContact CB-CE2 4.47Å; K36-F38 HydrophobicContact CD-CD1 4.27Å; K36-F38 HydrophobicContact CD-CD2 4.1Å; K36-F38 HydrophobicContact CD-CE1 3.82Å; K36-F38 HydrophobicContact CD-CE2 3.65Å; K36-F38 HydrophobicContact CD-CG 4.4Å; K36-F38 HydrophobicContact CD-CZ 3.5Å; K36-F38 VanDerWaalsContact CD-CZ 3.5Å; K36-F38 HydrophobicContact CG-CD2 4.05Å; K36-F38 HydrophobicContact CG-CE2 4Å; K36-F38 HydrophobicContact CG-CG 4.44Å; K36-F38 HydrophobicContact CG-CZ 4.34Å; K36-E42 VanDerWaalsContact CE-OE1 3.27Å; K36-E42 WeakPolarHBondContact CE-OE1 3Å; K36-E42 IonicContact NZ-OE1 2.65Å; K36-E42 PolarHBondContact NZ-OE1 3.39Å; K36-E42 IonicContact NZ-OE2 3.5Å; K36-E42 PolarHBondContact NZ-OE2 3.41Å; K36-T75 HydrophobicContact CB-CG2 4.29Å; K36-T75 PolarHBondContact N-OG1 3.01Å; K36-T75 WeakPolarHBondContact O-CG2 3.36Å; K36-T75 PolarHBondContact O-N 3.29Å; K36-T75 PolarHBondContact O-OG1 3.38Å; K36-P120 HydrophobicContact CB-CB 3.76Å; K36-P120 HydrophobicContact CD-CB 4Å
37	V	98.2	Very high	81.8	Confident	94 Å²	94	71.2 Å²	71.2	57%	0.57	42%	0.417	S	S	*	.	B	Isolated β-bridge	trans	-106.2	113.2	164.8	-175.2	0	0	0	0	106.3	F73 N74	V37-F73 WeakPolarHBondContact CA-O 3.36Å; V37-F73 HydrophobicContact CG1-CB 4.49Å; V37-N74 HydrophobicContact CG2-CB 4.02Å
38	F	98.3	Very high	83.7	Confident	8 Å²	8	70.7 Å²	70.7	4%	0.035	41%	0.405	C	S	.	.			trans	-75.3	149	179.2	-76.6	-93.6	0	0	0	111.1	K36 E42 L43 E46 F73 T75 I90 L122	K36-F38 HydrophobicContact CB-CE2 4.47Å; K36-F38 HydrophobicContact CD-CD1 4.27Å; K36-F38 HydrophobicContact CD-CD2 4.1Å; K36-F38 HydrophobicContact CD-CE1 3.82Å; K36-F38 HydrophobicContact CD-CE2 3.65Å; K36-F38 HydrophobicContact CD-CG 4.4Å; K36-F38 HydrophobicContact CD-CZ 3.5Å; K36-F38 VanDerWaalsContact CD-CZ 3.5Å; K36-F38 HydrophobicContact CG-CD2 4.05Å; K36-F38 HydrophobicContact CG-CE2 4Å; K36-F38 HydrophobicContact CG-CG 4.44Å; K36-F38 HydrophobicContact CG-CZ 4.34Å; F38-E42 HydrophobicContact CD1-CB 4.23Å; F38-E42 HydrophobicContact CD1-CG 3.73Å; F38-E42 HydrophobicContact CE1-CG 4.19Å; F38-L43 HydrophobicContact CB-CB 3.81Å; F38-L43 HydrophobicContact CB-CD1 4.47Å; F38-L43 HydrophobicContact CD1-CB 4.33Å; F38-L43 HydrophobicContact CD1-CD1 4.43Å; F38-L43 HydrophobicContact CD2-CD1 4.23Å; F38-L43 HydrophobicContact CG-CB 4.19Å; F38-L43 HydrophobicContact CG-CD1 4.14Å; F38-E46 HydrophobicContact CE1-CG 3.86Å; F38-F73 HydrophobicContact CB-CB 4.19Å; F38-F73 PolarHBondContact N-O 3.22Å; F38-F73 VanDerWaalsContact N-O 3.09Å; F38-F73 VanDerWaalsContact O-CB 3.29Å; F38-F73 WeakPolarHBondContact O-CB 3.47Å; F38-F73 WeakPolarHBondContact O-CD2 3.37Å; F38-T75 HydrophobicContact CD2-CG2 3.86Å; F38-T75 HydrophobicContact CE2-CG2 3.53Å; F38-I90 HydrophobicContact CD2-CD1 4.04Å; F38-L122 HydrophobicContact CE2-CD1 3.81Å; F38-L122 HydrophobicContact CE2-CD2 4Å; F38-L122 HydrophobicContact CE2-CG 3.98Å; F38-L122 HydrophobicContact CZ-CD1 3.81Å; F38-L122 HydrophobicContact CZ-CG 4.02Å
39	S	98.3	Very high	85.7	Confident	67 Å²	67	72.2 Å²	72.2	47%	0.469	40%	0.402	S	S	.	.			trans	-76.2	161	158.5	73.9	0	0	0	0	110.6	C41 E42 L43	S39-C41 PolarHBondContact O-N 2.83Å; S39-E42 PolarHBondContact N-OE2 3.21Å; S39-E42 PolarHBondContact O-N 3.36Å; S39-E42 WeakPolarHBondContact OG-CB 3.43Å; S39-E42 PolarHBondContact OG-N 2.91Å; S39-L43 PolarHBondContact O-N 3.42Å
40	R	98.4	Very high	87.7	Confident	77 Å²	77	68.7 Å²	68.7	29%	0.291	38%	0.381	S	S	.	.	H	α-helix	trans	-51.8	-54.6	-179.5	-177	177.2	64.2	83.3	-5.3	112.7	L43 A44 I64 F73 D156 W157 D159 C161	R40-L43 PolarHBondContact O-N 3.44Å; R40-A44 WeakPolarHBondContact O-CB 3.31Å; R40-A44 PolarHBondContact O-N 3.35Å; R40-I64 HydrophobicContact CG-CG2 3.94Å; R40-F73 HydrophobicContact CB-CE2 4.17Å; R40-F73 HydrophobicContact CB-CZ 4.41Å; R40-D156 PolarHBondContact NH1-O 3.13Å; R40-W157 WeakPolarHBondContact CD-O 3.31Å; R40-W157 HydrophobicContact CG-CE3 4.47Å; R40-W157 WeakPolarHBondContact CG-O 3.38Å; R40-W157 PolarHBondContact NH1-O 3.24Å; R40-D159 VanDerWaalsContact CZ-O 3.28Å; R40-D159 PolarHBondContact NH1-O 3.2Å; R40-D159 PolarHBondContact NH2-O 3.2Å; R40-C161 PolarHBondContact NH1-SG 3.34Å
41	C	98.6	Very high	89.8	Confident	33 Å²	33	64 Å²	64	22%	0.223	37%	0.366	C	S	.	.	H	α-helix	trans	-76.1	-29.6	-177	-65.8	0	0	0	0	113.7	S39 L43 A44 R45 C161	S39-C41 PolarHBondContact O-N 2.83Å; C41-L43 VanDerWaalsContact C-N 3.35Å; C41-A44 PolarHBondContact O-N 2.97Å; C41-R45 PolarHBondContact O-N 3.41Å; C41-C161 WeakPolarHBondContact CA-SG 3.31Å; C41-C161 HydrophobicContact CB-CB 3.64Å; C41-C161 WeakPolarHBondContact CB-SG 3.05Å; C41-C161 WeakPolarHBondContact SG-CA 3.48Å; C41-C161 WeakPolarHBondContact SG-CB 3.36Å; C41-C161 CovalentContact SG-SG 2.05Å; C41-C161 PolarHBondContact SG-SG 3.45Å
42	E	98.3	Very high	91.8	Very high	53 Å²	53	57.3 Å²	57.3	25%	0.248	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-44.9	172.7	-172	-172.3	-162.4	0	0	110.8	K36 F38 S39 R45 E46	K36-E42 VanDerWaalsContact CE-OE1 3.27Å; K36-E42 WeakPolarHBondContact CE-OE1 3Å; K36-E42 IonicContact NZ-OE1 2.65Å; K36-E42 PolarHBondContact NZ-OE1 3.39Å; K36-E42 IonicContact NZ-OE2 3.5Å; K36-E42 PolarHBondContact NZ-OE2 3.41Å; F38-E42 HydrophobicContact CD1-CB 4.23Å; F38-E42 HydrophobicContact CD1-CG 3.73Å; F38-E42 HydrophobicContact CE1-CG 4.19Å; S39-E42 PolarHBondContact N-OE2 3.21Å; S39-E42 PolarHBondContact O-N 3.36Å; S39-E42 WeakPolarHBondContact OG-CB 3.43Å; S39-E42 PolarHBondContact OG-N 2.91Å; E42-R45 PolarHBondContact O-N 3.13Å; E42-E46 WeakPolarHBondContact O-CG 3.05Å; E42-E46 PolarHBondContact O-N 3.04Å; E42-E46 VanDerWaalsContact O-N 3.16Å
43	L	98.5	Very high	93.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65	-42	174.8	-174.8	61.3	0	0	0	111.6	F38 S39 R40 C41 R45 E46 L47 I64 A67 F73 I90 L122	F38-L43 HydrophobicContact CB-CB 3.81Å; F38-L43 HydrophobicContact CB-CD1 4.47Å; F38-L43 HydrophobicContact CD1-CB 4.33Å; F38-L43 HydrophobicContact CD1-CD1 4.43Å; F38-L43 HydrophobicContact CD2-CD1 4.23Å; F38-L43 HydrophobicContact CG-CB 4.19Å; F38-L43 HydrophobicContact CG-CD1 4.14Å; S39-L43 PolarHBondContact O-N 3.42Å; R40-L43 PolarHBondContact O-N 3.44Å; C41-L43 VanDerWaalsContact C-N 3.35Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 3.25Å; L43-E46 PolarHBondContact O-N 3.33Å; L43-L47 HydrophobicContact CD1-CD1 4.18Å; L43-L47 HydrophobicContact CD1-CD2 4.06Å; L43-L47 HydrophobicContact CD1-CG 3.85Å; L43-L47 HydrophobicContact CD2-CD1 4.48Å; L43-L47 HydrophobicContact CG-CD1 4.02Å; L43-L47 HydrophobicContact CG-CG 4.03Å; L43-L47 WeakPolarHBondContact O-CB 3.29Å; L43-L47 VanDerWaalsContact O-CG 3.31Å; L43-L47 WeakPolarHBondContact O-CG 3.33Å; L43-L47 PolarHBondContact O-N 3.18Å; L43-I64 HydrophobicContact CB-CD1 3.89Å; L43-I64 HydrophobicContact CD2-CD1 3.76Å; L43-I64 HydrophobicContact CG-CD1 3.54Å; L43-A67 HydrophobicContact CD2-CB 3.61Å; L43-F73 HydrophobicContact CD2-CD1 3.45Å; L43-F73 VanDerWaalsContact CD2-CD1 3.45Å; L43-F73 HydrophobicContact CD2-CE1 3.81Å; L43-F73 HydrophobicContact CD2-CG 4.28Å; L43-I90 HydrophobicContact CD1-CD1 3.6Å; L43-I90 HydrophobicContact CD2-CD1 3.71Å; L43-I90 HydrophobicContact CG-CD1 4.32Å; L43-L122 HydrophobicContact CD1-CD1 3.46Å; L43-L122 VanDerWaalsContact CD1-CD1 3.46Å
44	A	98.6	Very high	95.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-55.6	-49.2	177.7	0	0	0	0	0	111.5	R40 C41 E46 L47 Q48 L60 I64 V158 F163	R40-A44 WeakPolarHBondContact O-CB 3.31Å; R40-A44 PolarHBondContact O-N 3.35Å; C41-A44 PolarHBondContact O-N 2.97Å; A44-E46 PolarHBondContact O-N 3.36Å; A44-L47 PolarHBondContact O-N 2.98Å; A44-Q48 WeakPolarHBondContact O-CB 3.29Å; A44-Q48 PolarHBondContact O-N 3.46Å; A44-L60 HydrophobicContact CB-CD2 3.99Å; A44-L60 HydrophobicContact CB-CG 4.45Å; A44-L60 WeakPolarHBondContact O-CD2 3.38Å; A44-I64 HydrophobicContact CB-CD1 4.01Å; A44-I64 HydrophobicContact CB-CG1 4.1Å; A44-V158 HydrophobicContact CB-CG1 4.49Å; A44-F163 HydrophobicContact CB-CE1 3.83Å; A44-F163 HydrophobicContact CB-CZ 4.31Å
45	R	98.4	Very high	97.2	Very high	97 Å²	97	54 Å²	54	37%	0.366	29%	0.294	S	S	.	.	H	α-helix	trans	-60.2	-48.2	177.2	-175.6	175.6	60.3	-133.5	-4.7	112.4	C41 E42 L43 L47 Q48 E49	C41-R45 PolarHBondContact O-N 3.41Å; E42-R45 PolarHBondContact O-N 3.13Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 3.25Å; R45-L47 PolarHBondContact O-N 2.88Å; R45-Q48 WeakPolarHBondContact O-CB 3.46Å; R45-Q48 PolarHBondContact O-N 3Å; R45-E49 WeakPolarHBondContact O-CG 3.48Å; R45-E49 PolarHBondContact O-N 3.36Å
46	E	98.1	Very high	98.1	Very high	58 Å²	58	58.3 Å²	58.3	27%	0.271	29%	0.294	S	S	.	.	H	α-helix	trans	-58	-49.2	177.9	-71.8	-78.7	161.5	0	0	111.9	F38 E42 L43 A44 Q48 E49 F50	F38-E46 HydrophobicContact CE1-CG 3.86Å; E42-E46 WeakPolarHBondContact O-CG 3.05Å; E42-E46 PolarHBondContact O-N 3.04Å; E42-E46 VanDerWaalsContact O-N 3.16Å; L43-E46 PolarHBondContact O-N 3.33Å; A44-E46 PolarHBondContact O-N 3.36Å; E46-Q48 VanDerWaalsContact C-N 3.28Å; E46-Q48 PolarHBondContact O-N 3.36Å; E46-E49 PolarHBondContact O-N 3.48Å; E46-F50 WeakPolarHBondContact O-CD2 3.14Å; E46-F50 PolarHBondContact O-N 3.3Å
47	L	98.5	Very high	98.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.1	-31.4	-179.9	-66.7	-165	0	0	0	112.4	L43 A44 R45 F50 G51 L52 L60 W63 I64 F91 L122 V126	L43-L47 HydrophobicContact CD1-CD1 4.18Å; L43-L47 HydrophobicContact CD1-CD2 4.06Å; L43-L47 HydrophobicContact CD1-CG 3.85Å; L43-L47 HydrophobicContact CD2-CD1 4.48Å; L43-L47 HydrophobicContact CG-CD1 4.02Å; L43-L47 HydrophobicContact CG-CG 4.03Å; L43-L47 WeakPolarHBondContact O-CB 3.29Å; L43-L47 VanDerWaalsContact O-CG 3.31Å; L43-L47 WeakPolarHBondContact O-CG 3.33Å; L43-L47 PolarHBondContact O-N 3.18Å; A44-L47 PolarHBondContact O-N 2.98Å; R45-L47 PolarHBondContact O-N 2.88Å; L47-F50 PolarHBondContact O-N 3.18Å; L47-G51 PolarHBondContact O-N 3.44Å; L47-L52 HydrophobicContact CB-CB 4.46Å; L47-L52 HydrophobicContact CB-CD1 4.02Å; L47-L52 HydrophobicContact CD1-CD1 4.06Å; L47-L52 HydrophobicContact CD2-CD1 3.87Å; L47-L52 HydrophobicContact CG-CD1 4.17Å; L47-L52 WeakPolarHBondContact O-CB 3.34Å; L47-L52 PolarHBondContact O-N 2.05Å; L47-L60 HydrophobicContact CB-CD1 3.6Å; L47-W63 HydrophobicContact CD1-CB 3.82Å; L47-I64 HydrophobicContact CD1-CD1 3.83Å; L47-I64 HydrophobicContact CG-CD1 4.48Å; L47-F91 HydrophobicContact CD1-CE1 4.48Å; L47-F91 HydrophobicContact CD1-CZ 3.95Å; L47-F91 HydrophobicContact CD2-CZ 4.18Å; L47-L122 HydrophobicContact CD2-CD1 4.04Å; L47-V126 HydrophobicContact CD2-CG2 3.75Å
48	Q	98.1	Very high	98.2	Very high	75 Å²	75	56.2 Å²	56.2	35%	0.35	30%	0.297	S	S	.	.	H	α-helix	trans	-67.1	-44.3	171.6	179.2	169.7	-41	0	0	111.9	A44 R45 E46 F50 G51 L60 F163	A44-Q48 WeakPolarHBondContact O-CB 3.29Å; A44-Q48 PolarHBondContact O-N 3.46Å; R45-Q48 WeakPolarHBondContact O-CB 3.46Å; R45-Q48 PolarHBondContact O-N 3Å; E46-Q48 VanDerWaalsContact C-N 3.28Å; E46-Q48 PolarHBondContact O-N 3.36Å; Q48-F50 PolarHBondContact O-N 3.31Å; Q48-G51 WeakPolarHBondContact O-CA 3.29Å; Q48-G51 PolarHBondContact O-N 3.01Å; Q48-L60 HydrophobicContact CB-CD1 4.41Å; Q48-L60 HydrophobicContact CB-CD2 4.02Å; Q48-F163 HydrophobicContact CB-CD1 4.49Å; Q48-F163 VanDerWaalsContact OE1-CG 3.24Å
49	E	98	Very high	98.2	Very high	136 Å²	136	57.8 Å²	57.8	64%	0.636	31%	0.309	S	S	*	.	H	α-helix	trans	-60.6	-32.9	175.5	-72.7	179	-161.6	0	0	111.9	R45 E46 G51	R45-E49 WeakPolarHBondContact O-CG 3.48Å; R45-E49 PolarHBondContact O-N 3.36Å; E46-E49 PolarHBondContact O-N 3.48Å; E49-G51 PolarHBondContact O-N 3.12Å
50	F	98.2	Very high	98.2	Very high	67 Å²	67	54.7 Å²	54.7	29%	0.294	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-6.3	171.4	-77.5	-60.4	0	0	0	114.9	E46 L47 Q48 L122 K123 V126	E46-F50 WeakPolarHBondContact O-CD2 3.14Å; E46-F50 PolarHBondContact O-N 3.3Å; L47-F50 PolarHBondContact O-N 3.18Å; Q48-F50 PolarHBondContact O-N 3.31Å; F50-L122 HydrophobicContact CE2-CB 3.91Å; F50-L122 HydrophobicContact CZ-CB 4.49Å; F50-K123 HydrophobicContact CE1-CB 3.98Å; F50-K123 HydrophobicContact CE1-CG 4.32Å; F50-K123 HydrophobicContact CZ-CB 4.15Å; F50-V126 HydrophobicContact CB-CG1 3.82Å; F50-V126 HydrophobicContact CB-CG2 4.37Å; F50-V126 HydrophobicContact CD1-CG1 4.41Å; F50-V126 HydrophobicContact CD2-CG2 3.89Å; F50-V126 HydrophobicContact CE2-CG2 4.44Å; F50-V126 HydrophobicContact CG-CB 4.36Å; F50-V126 HydrophobicContact CG-CG1 4.07Å; F50-V126 HydrophobicContact CG-CG2 4.08Å
51	G	97.7	Very high	98.3	Very high	41 Å²	41	51.2 Å²	51.2	42%	0.423	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	30.7	176.5	0	0	0	0	0	114.5	L47 Q48 E49	L47-G51 PolarHBondContact O-N 3.44Å; Q48-G51 WeakPolarHBondContact O-CA 3.29Å; Q48-G51 PolarHBondContact O-N 3.01Å; E49-G51 PolarHBondContact O-N 3.12Å
52	L	98.4	Very high	98.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.			trans	-80.5	-18	176.4	-72.4	-177.1	0	0	0	114.3	L47 G54 Y55 W63 V126 M130	L47-L52 HydrophobicContact CB-CB 4.46Å; L47-L52 HydrophobicContact CB-CD1 4.02Å; L47-L52 HydrophobicContact CD1-CD1 4.06Å; L47-L52 HydrophobicContact CD2-CD1 3.87Å; L47-L52 HydrophobicContact CG-CD1 4.17Å; L47-L52 WeakPolarHBondContact O-CB 3.34Å; L47-L52 PolarHBondContact O-N 2.05Å; L52-G54 PolarHBondContact O-N 3.47Å; L52-Y55 HydrophobicContact CD2-CD1 4.43Å; L52-Y55 HydrophobicContact CD2-CG 4.36Å; L52-Y55 WeakPolarHBondContact O-CB 3.49Å; L52-Y55 PolarHBondContact O-N 2.94Å; L52-W63 HydrophobicContact CB-CD2 4.38Å; L52-W63 HydrophobicContact CB-CG 4.17Å; L52-W63 HydrophobicContact CD1-CB 4.47Å; L52-W63 HydrophobicContact CD1-CD2 3.81Å; L52-W63 HydrophobicContact CD1-CE3 3.97Å; L52-W63 HydrophobicContact CD1-CG 4.03Å; L52-W63 HydrophobicContact CD1-CZ3 4.49Å; L52-W63 HydrophobicContact CD2-CD2 4.26Å; L52-W63 HydrophobicContact CD2-CH2 4.11Å; L52-W63 HydrophobicContact CD2-CZ2 3.81Å; L52-W63 HydrophobicContact CD2-CZ3 4.49Å; L52-W63 HydrophobicContact CG-CD2 4.4Å; L52-W63 PolarHBondContact O-NE1 2.91Å; L52-V126 HydrophobicContact CD1-CG1 4.24Å; L52-V126 HydrophobicContact CD1-CG2 4.37Å; L52-V126 HydrophobicContact CD2-CG1 4.28Å; L52-V126 HydrophobicContact CG-CG1 4.23Å; L52-M130 HydrophobicContact CD2-CG 3.56Å; L52-M130 HydrophobicContact CD2-SD 4.19Å
53	E	97.8	Very high	98.3	Very high	107 Å²	107	48.2 Å²	48.2	50%	0.5	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	119.5	172.8	177.8	54.2	-136.9	0	0	110.3	Y55 L60	E53-Y55 PolarHBondContact O-N 2.89Å; E53-L60 HydrophobicContact CB-CB 4.45Å; E53-L60 WeakPolarHBondContact OE2-CA 3.02Å; E53-L60 WeakPolarHBondContact OE2-CB 3.48Å; E53-L60 PolarHBondContact OE2-N 3.4Å
54	G	98.1	Very high	98.3	Very high	44 Å²	44	48.2 Å²	48.2	45%	0.454	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	1.2	-176.7	0	0	0	0	0	114.9	L52 R56 G57 Y58	L52-G54 PolarHBondContact O-N 3.47Å; G54-R56 PolarHBondContact O-N 3Å; G54-G57 PolarHBondContact O-N 3.5Å; G54-Y58 CarbonylContact C-O 3.39Å; G54-Y58 WeakPolarHBondContact CA-O 3.4Å; G54-Y58 PolarHBondContact N-O 3.28Å
55	Y	98.6	Very high	98.3	Very high	42 Å²	42	48.2 Å²	48.2	17%	0.165	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-61.2	116.6	-177.5	-174.6	-101.6	0	0	0	110.7	L52 E53 G57 Y58 W63 M130 A133 Q134	L52-Y55 HydrophobicContact CD2-CD1 4.43Å; L52-Y55 HydrophobicContact CD2-CG 4.36Å; L52-Y55 WeakPolarHBondContact O-CB 3.49Å; L52-Y55 PolarHBondContact O-N 2.94Å; E53-Y55 PolarHBondContact O-N 2.89Å; Y55-G57 PolarHBondContact O-N 3.06Å; Y55-Y58 PolarHBondContact N-O 2.74Å; Y55-Y58 WeakPolarHBondContact O-CD2 3.33Å; Y55-Y58 PolarHBondContact O-N 3.29Å; Y55-Y58 VanDerWaalsContact O-N 3.12Å; Y55-W63 HydrophobicContact CD1-CH2 4.5Å; Y55-W63 AromaticContact CD1-CZ2 3.93Å; Y55-W63 HydrophobicContact CD1-CZ2 3.93Å; Y55-M130 HydrophobicContact CD1-CG 4.2Å; Y55-M130 HydrophobicContact CD2-CE 3.52Å; Y55-M130 HydrophobicContact CE1-CB 3.73Å; Y55-M130 HydrophobicContact CE1-CE 4.35Å; Y55-M130 HydrophobicContact CE1-CG 3.87Å; Y55-M130 HydrophobicContact CE2-CE 3.21Å; Y55-M130 HydrophobicContact CE2-CG 4.42Å; Y55-M130 HydrophobicContact CG-CE 4.21Å; Y55-M130 PolarHBondContact OH-O 3.31Å; Y55-A133 HydrophobicContact CE1-CB 4.26Å; Y55-Q134 VanDerWaalsContact OH-CG 3.25Å; Y55-Q134 WeakPolarHBondContact OH-CG 3.4Å; Y55-Q134 PolarHBondContact OH-NE2 3.46Å
56	R	97.6	Very high	98.4	Very high	161 Å²	161	43.6 Å²	43.6	61%	0.608	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	56.9	26.1	-175.9	-56.6	-71.1	-69.5	171.2	-3.8	113.5	G54 Y58	G54-R56 PolarHBondContact O-N 3Å; R56-Y58 HydrophobicContact CB-CD2 4.18Å; R56-Y58 HydrophobicContact CB-CE2 4.39Å
57	G	97.8	Very high	98.4	Very high	71 Å²	71	40.9 Å²	40.9	73%	0.732	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	83	9.9	-179.9	0	0	0	0	0	114.6	G54 Y55	G54-G57 PolarHBondContact O-N 3.5Å; Y55-G57 PolarHBondContact O-N 3.06Å
58	Y	98.6	Very high	98.4	Very high	43 Å²	43	46.1 Å²	46.1	17%	0.169	25%	0.249	C	C	.	.			trans	-94.8	134.4	172.6	-63.5	-71.2	0	0	0	110.5	G54 Y55 R56 D62 L139 W145	G54-Y58 CarbonylContact C-O 3.39Å; G54-Y58 WeakPolarHBondContact CA-O 3.4Å; G54-Y58 PolarHBondContact N-O 3.28Å; Y55-Y58 PolarHBondContact N-O 2.74Å; Y55-Y58 WeakPolarHBondContact O-CD2 3.33Å; Y55-Y58 PolarHBondContact O-N 3.29Å; Y55-Y58 VanDerWaalsContact O-N 3.12Å; R56-Y58 HydrophobicContact CB-CD2 4.18Å; R56-Y58 HydrophobicContact CB-CE2 4.39Å; Y58-D62 HydrophobicContact CD1-CB 4.35Å; Y58-L139 HydrophobicContact CD1-CB 4.32Å; Y58-L139 HydrophobicContact CD1-CD1 3.53Å; Y58-L139 HydrophobicContact CD1-CG 3.84Å; Y58-L139 HydrophobicContact CD2-CD1 4.12Å; Y58-L139 HydrophobicContact CD2-CG 3.79Å; Y58-L139 HydrophobicContact CE1-CB 3.87Å; Y58-L139 HydrophobicContact CE1-CD1 3.96Å; Y58-L139 HydrophobicContact CE1-CG 3.84Å; Y58-L139 HydrophobicContact CE2-CB 4.28Å; Y58-L139 HydrophobicContact CE2-CD1 4.5Å; Y58-L139 HydrophobicContact CE2-CG 3.79Å; Y58-L139 HydrophobicContact CG-CD1 3.61Å; Y58-L139 HydrophobicContact CG-CG 3.8Å; Y58-L139 PolarHBondContact OH-N 2.94Å; Y58-L139 VanDerWaalsContact OH-N 3.1Å; Y58-W145 HydrophobicContact CD1-CZ2 4.14Å; Y58-W145 AromaticContact CE1-CH2 3.91Å; Y58-W145 HydrophobicContact CE1-CH2 3.91Å; Y58-W145 AromaticContact CE1-CZ2 3.87Å; Y58-W145 HydrophobicContact CE1-CZ2 3.87Å
59	S	98.6	Very high	98.4	Very high	41 Å²	41	46.2 Å²	46.2	29%	0.287	25%	0.248	S	C	.	.			trans	-73.9	162.5	174.4	66.7	0	0	0	0	110.9	A61 D62	S59-A61 PolarHBondContact O-N 3.05Å; S59-D62 WeakPolarHBondContact CB-OD2 3.37Å; S59-D62 PolarHBondContact N-OD2 3.28Å; S59-D62 WeakPolarHBondContact O-CB 3.39Å; S59-D62 PolarHBondContact O-N 2.68Å; S59-D62 VanDerWaalsContact O-N 3.08Å; S59-D62 PolarHBondContact OG-N 2.82Å; S59-D62 PolarHBondContact OG-OD2 3.08Å
60	L	98.3	Very high	98.5	Very high	2 Å²	2	41 Å²	41	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-57.3	-37.1	171.5	-173.4	64.7	0	0	0	111.6	A44 L47 Q48 E53 D62 W63 I64 V158 F163	A44-L60 HydrophobicContact CB-CD2 3.99Å; A44-L60 HydrophobicContact CB-CG 4.45Å; A44-L60 WeakPolarHBondContact O-CD2 3.38Å; L47-L60 HydrophobicContact CB-CD1 3.6Å; Q48-L60 HydrophobicContact CB-CD1 4.41Å; Q48-L60 HydrophobicContact CB-CD2 4.02Å; E53-L60 HydrophobicContact CB-CB 4.45Å; E53-L60 WeakPolarHBondContact OE2-CA 3.02Å; E53-L60 WeakPolarHBondContact OE2-CB 3.48Å; E53-L60 PolarHBondContact OE2-N 3.4Å; L60-D62 VanDerWaalsContact C-N 3.25Å; L60-D62 PolarHBondContact O-N 3.24Å; L60-W63 WeakPolarHBondContact O-CB 3.09Å; L60-W63 PolarHBondContact O-N 2.75Å; L60-I64 HydrophobicContact CG-CG1 4.39Å; L60-I64 WeakPolarHBondContact O-CG1 3.45Å; L60-I64 PolarHBondContact O-N 3.39Å; L60-V158 HydrophobicContact CB-CG1 4.26Å; L60-V158 HydrophobicContact CD2-CG1 4.15Å; L60-V158 HydrophobicContact CG-CG1 4.11Å; L60-F163 HydrophobicContact CD2-CD1 4.47Å; L60-F163 HydrophobicContact CD2-CE1 3.52Å; L60-F163 HydrophobicContact CD2-CZ 3.82Å
61	A	98.8	Very high	98.5	Very high	5 Å²	5	38.7 Å²	38.7	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-58.3	-34.6	175.7	0	0	0	0	0	113.3	S59 W63 I64 C65 L154 W157 V158	S59-A61 PolarHBondContact O-N 3.05Å; A61-W63 VanDerWaalsContact C-N 3.35Å; A61-W63 PolarHBondContact O-N 3.37Å; A61-I64 PolarHBondContact O-N 3.23Å; A61-C65 VanDerWaalsContact O-CB 3.29Å; A61-C65 WeakPolarHBondContact O-CB 2.98Å; A61-C65 PolarHBondContact O-N 2.93Å; A61-L154 HydrophobicContact CB-CB 3.81Å; A61-L154 VanDerWaalsContact CB-O 3.31Å; A61-L154 WeakPolarHBondContact CB-O 3.21Å; A61-W157 HydrophobicContact CB-CB 4.07Å; A61-V158 HydrophobicContact CB-CG1 4.09Å; A61-V158 HydrophobicContact CB-CG2 4.16Å
62	D	98.9	Very high	98.5	Very high	23 Å²	23	38.4 Å²	38.4	12%	0.123	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-43.3	174	-69.5	-72.9	0	0	0	111.9	Y58 S59 L60 L66 L139 W145 L154	Y58-D62 HydrophobicContact CD1-CB 4.35Å; S59-D62 WeakPolarHBondContact CB-OD2 3.37Å; S59-D62 PolarHBondContact N-OD2 3.28Å; S59-D62 WeakPolarHBondContact O-CB 3.39Å; S59-D62 PolarHBondContact O-N 2.68Å; S59-D62 VanDerWaalsContact O-N 3.08Å; S59-D62 PolarHBondContact OG-N 2.82Å; S59-D62 PolarHBondContact OG-OD2 3.08Å; L60-D62 VanDerWaalsContact C-N 3.25Å; L60-D62 PolarHBondContact O-N 3.24Å; D62-L66 WeakPolarHBondContact O-CB 3.49Å; D62-L66 PolarHBondContact O-N 3.45Å; D62-L139 HydrophobicContact CB-CD1 3.74Å; D62-W145 WeakPolarHBondContact OD1-CZ2 3.28Å; D62-L154 HydrophobicContact CB-CD1 4.49Å; D62-L154 WeakPolarHBondContact OD1-CD1 3.49Å
63	W	98.9	Very high	98.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-70.3	-37.6	180	-64.9	100.8	0	0	0	112.5	L47 L52 Y55 L60 A61 L66 A67 F91 A129 A133 L139	L47-W63 HydrophobicContact CD1-CB 3.82Å; L52-W63 HydrophobicContact CB-CD2 4.38Å; L52-W63 HydrophobicContact CB-CG 4.17Å; L52-W63 HydrophobicContact CD1-CB 4.47Å; L52-W63 HydrophobicContact CD1-CD2 3.81Å; L52-W63 HydrophobicContact CD1-CE3 3.97Å; L52-W63 HydrophobicContact CD1-CG 4.03Å; L52-W63 HydrophobicContact CD1-CZ3 4.49Å; L52-W63 HydrophobicContact CD2-CD2 4.26Å; L52-W63 HydrophobicContact CD2-CH2 4.11Å; L52-W63 HydrophobicContact CD2-CZ2 3.81Å; L52-W63 HydrophobicContact CD2-CZ3 4.49Å; L52-W63 HydrophobicContact CG-CD2 4.4Å; L52-W63 PolarHBondContact O-NE1 2.91Å; Y55-W63 HydrophobicContact CD1-CH2 4.5Å; Y55-W63 AromaticContact CD1-CZ2 3.93Å; Y55-W63 HydrophobicContact CD1-CZ2 3.93Å; L60-W63 WeakPolarHBondContact O-CB 3.09Å; L60-W63 PolarHBondContact O-N 2.75Å; A61-W63 VanDerWaalsContact C-N 3.35Å; A61-W63 PolarHBondContact O-N 3.37Å; W63-L66 HydrophobicContact CE3-CD2 4.25Å; W63-L66 HydrophobicContact CZ3-CD2 4.47Å; W63-L66 PolarHBondContact O-N 3.33Å; W63-A67 WeakPolarHBondContact O-CB 3.35Å; W63-A67 PolarHBondContact O-N 3.07Å; W63-F91 HydrophobicContact CE3-CE1 4.35Å; W63-F91 HydrophobicContact CE3-CZ 4.25Å; W63-A129 HydrophobicContact CZ3-CB 3.99Å; W63-A133 HydrophobicContact CH2-CB 3.75Å; W63-A133 HydrophobicContact CZ2-CB 4.25Å; W63-L139 HydrophobicContact CD2-CD2 4.45Å; W63-L139 HydrophobicContact CE3-CD2 4.07Å; W63-L139 HydrophobicContact CH2-CD2 3.56Å; W63-L139 HydrophobicContact CZ2-CD2 3.93Å; W63-L139 HydrophobicContact CZ3-CD2 3.63Å
64	I	98.9	Very high	98.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-69.3	-43.7	175.8	-59.1	-58.5	0	0	0	110.8	R40 L43 A44 L47 L60 A61 L66 A67 Y68 F73 W157 V158	R40-I64 HydrophobicContact CG-CG2 3.94Å; L43-I64 HydrophobicContact CB-CD1 3.89Å; L43-I64 HydrophobicContact CD2-CD1 3.76Å; L43-I64 HydrophobicContact CG-CD1 3.54Å; A44-I64 HydrophobicContact CB-CD1 4.01Å; A44-I64 HydrophobicContact CB-CG1 4.1Å; L47-I64 HydrophobicContact CD1-CD1 3.83Å; L47-I64 HydrophobicContact CG-CD1 4.48Å; L60-I64 HydrophobicContact CG-CG1 4.39Å; L60-I64 WeakPolarHBondContact O-CG1 3.45Å; L60-I64 PolarHBondContact O-N 3.39Å; A61-I64 PolarHBondContact O-N 3.23Å; I64-L66 VanDerWaalsContact C-N 3.33Å; I64-L66 PolarHBondContact O-N 3.12Å; I64-A67 PolarHBondContact O-N 3.08Å; I64-Y68 PolarHBondContact O-N 3.23Å; I64-F73 HydrophobicContact CG2-CE1 3.97Å; I64-F73 HydrophobicContact CG2-CZ 3.89Å; I64-F73 WeakPolarHBondContact O-CE1 3.5Å; I64-W157 HydrophobicContact CB-CB 4.23Å; I64-W157 HydrophobicContact CG2-CB 4.13Å; I64-W157 HydrophobicContact CG2-CD2 4.35Å; I64-W157 HydrophobicContact CG2-CE3 3.71Å; I64-V158 HydrophobicContact CG1-CG1 4.49Å
65	C	98.9	Very high	98.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.8	-45.7	173.1	-175.8	0	0	0	0	111.5	A61 Y68 F69 C149 L154 W157	A61-C65 VanDerWaalsContact O-CB 3.29Å; A61-C65 WeakPolarHBondContact O-CB 2.98Å; A61-C65 PolarHBondContact O-N 2.93Å; C65-Y68 PolarHBondContact O-N 3.25Å; C65-F69 WeakPolarHBondContact O-CD2 3.15Å; C65-F69 PolarHBondContact O-N 3.09Å; C65-F69 VanDerWaalsContact O-N 3.13Å; C65-C149 HydrophobicContact CB-CB 3.88Å; C65-C149 WeakPolarHBondContact CB-SG 3.49Å; C65-C149 VanDerWaalsContact SG-CA 3.54Å; C65-C149 WeakPolarHBondContact SG-CB 3.45Å; C65-C149 CovalentContact SG-SG 2.03Å; C65-C149 PolarHBondContact SG-SG 3.31Å; C65-L154 HydrophobicContact CB-CD1 4.16Å; C65-L154 HydrophobicContact CB-CD2 4.19Å; C65-W157 HydrophobicContact CB-CD2 4.12Å; C65-W157 HydrophobicContact CB-CG 4.09Å; C65-W157 HydrophobicContact CB-CZ2 4.43Å
66	L	98.9	Very high	98.6	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-54.1	-57.4	175.3	171	63.8	0	0	0	111.1	D62 W63 I64 Y68 F69 T70 F91 L139 W142 W145	D62-L66 WeakPolarHBondContact O-CB 3.49Å; D62-L66 PolarHBondContact O-N 3.45Å; W63-L66 HydrophobicContact CE3-CD2 4.25Å; W63-L66 HydrophobicContact CZ3-CD2 4.47Å; W63-L66 PolarHBondContact O-N 3.33Å; I64-L66 VanDerWaalsContact C-N 3.33Å; I64-L66 PolarHBondContact O-N 3.12Å; L66-Y68 PolarHBondContact O-N 3.09Å; L66-F69 PolarHBondContact O-N 2.78Å; L66-T70 HydrophobicContact CD1-CG2 3.57Å; L66-T70 HydrophobicContact CG-CG2 4.36Å; L66-T70 WeakPolarHBondContact O-CG2 3.5Å; L66-T70 PolarHBondContact O-N 3.28Å; L66-T70 PolarHBondContact O-OG1 2.84Å; L66-F91 HydrophobicContact CD2-CD1 3.83Å; L66-F91 HydrophobicContact CD2-CE1 4.27Å; L66-F91 HydrophobicContact CG-CD1 4.02Å; L66-L139 HydrophobicContact CD2-CD2 4.14Å; L66-W142 HydrophobicContact CD1-CB 3.5Å; L66-W142 HydrophobicContact CD1-CD2 4.13Å; L66-W142 HydrophobicContact CD1-CG 3.5Å; L66-W142 HydrophobicContact CD2-CD2 4.1Å; L66-W142 HydrophobicContact CD2-CE3 4.38Å; L66-W142 HydrophobicContact CD2-CG 4.34Å; L66-W145 HydrophobicContact CD1-CB 3.84Å
67	A	98.9	Very high	98.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-36.7	-176.9	0	0	0	0	0	113	L43 W63 I64 T70 S71 G72 F73 I90 F91	L43-A67 HydrophobicContact CD2-CB 3.61Å; W63-A67 WeakPolarHBondContact O-CB 3.35Å; W63-A67 PolarHBondContact O-N 3.07Å; I64-A67 PolarHBondContact O-N 3.08Å; A67-T70 WeakPolarHBondContact CA-OG1 3.32Å; A67-T70 PolarHBondContact O-OG1 3.08Å; A67-S71 PolarHBondContact O-N 2.78Å; A67-S71 VanDerWaalsContact O-N 3.08Å; A67-S71 PolarHBondContact O-OG 3.29Å; A67-G72 PolarHBondContact O-N 3.5Å; A67-F73 HydrophobicContact CB-CD1 3.85Å; A67-F73 HydrophobicContact CB-CE1 4.03Å; A67-F73 PolarHBondContact O-N 2.89Å; A67-I90 HydrophobicContact CB-CD1 4.44Å; A67-I90 HydrophobicContact CB-CG1 4.13Å; A67-F91 HydrophobicContact CB-CD1 4.16Å; A67-F91 HydrophobicContact CB-CE1 3.83Å
68	Y	98.9	Very high	98.6	Very high	110 Å²	110	26.8 Å²	26.8	43%	0.431	15%	0.153	S	C	.	.	H	α-helix	trans	-65.7	-51.3	177.3	-177	-98.2	0	0	0	111.4	I64 C65 L66 T70 G72 F73 W157	I64-Y68 PolarHBondContact O-N 3.23Å; C65-Y68 PolarHBondContact O-N 3.25Å; L66-Y68 PolarHBondContact O-N 3.09Å; Y68-T70 VanDerWaalsContact C-N 3.31Å; Y68-T70 PolarHBondContact O-N 3.42Å; Y68-G72 VanDerWaalsContact O-CA 3.29Å; Y68-G72 WeakPolarHBondContact O-CA 3.16Å; Y68-G72 PolarHBondContact O-N 3.42Å; Y68-F73 HydrophobicContact CD2-CD2 4.19Å; Y68-F73 HydrophobicContact CD2-CE1 4.28Å; Y68-F73 AromaticContact CD2-CE2 3.66Å; Y68-F73 HydrophobicContact CD2-CE2 3.66Å; Y68-F73 AromaticContact CD2-CZ 3.72Å; Y68-F73 HydrophobicContact CD2-CZ 3.72Å; Y68-F73 HydrophobicContact CE2-CE2 4.48Å; Y68-F73 HydrophobicContact CG-CE1 4.45Å; Y68-F73 HydrophobicContact CG-CZ 4.15Å; Y68-W157 AromaticContact CD1-CH2 3.41Å; Y68-W157 HydrophobicContact CD1-CH2 3.41Å; Y68-W157 VanDerWaalsContact CD1-CH2 3.41Å; Y68-W157 HydrophobicContact CD1-CZ2 4.21Å; Y68-W157 HydrophobicContact CD1-CZ3 4.21Å; Y68-W157 AromaticContact CD2-CH2 3.99Å; Y68-W157 HydrophobicContact CD2-CH2 3.99Å; Y68-W157 AromaticContact CD2-CZ3 4Å; Y68-W157 HydrophobicContact CD2-CZ3 4Å; Y68-W157 HydrophobicContact CE1-CH2 4.03Å; Y68-W157 AromaticContact CG-CH2 3.35Å; Y68-W157 HydrophobicContact CG-CH2 3.35Å; Y68-W157 HydrophobicContact CG-CZ2 4.43Å; Y68-W157 AromaticContact CG-CZ3 3.69Å; Y68-W157 HydrophobicContact CG-CZ3 3.69Å
69	F	98.8	Very high	98.6	Very high	77 Å²	77	28.4 Å²	28.4	34%	0.338	16%	0.164	S	C	.	.	H	α-helix	trans	-77	-16.8	-176.3	-76.3	-74.4	0	0	0	113.8	C65 L66 A144 H148 W157	C65-F69 WeakPolarHBondContact O-CD2 3.15Å; C65-F69 PolarHBondContact O-N 3.09Å; C65-F69 VanDerWaalsContact O-N 3.13Å; L66-F69 PolarHBondContact O-N 2.78Å; F69-A144 HydrophobicContact CB-CB 4.05Å; F69-H148 HydrophobicContact CB-CB 4.13Å; F69-H148 HydrophobicContact CD1-CB 3.61Å; F69-H148 AromaticContact CD1-CD2 3.72Å; F69-H148 AromaticContact CD1-CG 3.36Å; F69-H148 AromaticContact CD1-ND1 3.63Å; F69-H148 HydrophobicContact CD2-CB 3.34Å; F69-H148 HydrophobicContact CE1-CB 3.77Å; F69-H148 AromaticContact CE1-CG 3.59Å; F69-H148 AromaticContact CE1-ND1 3.45Å; F69-H148 WeakPolarHBondContact CE1-ND1 3.45Å; F69-H148 HydrophobicContact CE2-CB 3.51Å; F69-H148 HydrophobicContact CG-CB 3.4Å; F69-H148 VanDerWaalsContact CG-CB 3.4Å; F69-H148 AromaticContact CG-CD2 3.98Å; F69-H148 AromaticContact CG-CG 3.64Å; F69-H148 HydrophobicContact CZ-CB 3.72Å; F69-W157 HydrophobicContact CD2-CZ2 4.45Å; F69-W157 HydrophobicContact CE2-CH2 4.39Å; F69-W157 AromaticContact CE2-CZ2 3.78Å; F69-W157 HydrophobicContact CE2-CZ2 3.78Å
70	T	98.6	Very high	98.5	Very high	26 Å²	26	33.1 Å²	33.1	16%	0.16	18%	0.182	C	C	.	.	H	α-helix	trans	-83.4	-44.7	171.6	48.3	0	0	0	0	112.8	L66 A67 Y68 I90 Q92 A144	L66-T70 HydrophobicContact CD1-CG2 3.57Å; L66-T70 HydrophobicContact CG-CG2 4.36Å; L66-T70 WeakPolarHBondContact O-CG2 3.5Å; L66-T70 PolarHBondContact O-N 3.28Å; L66-T70 PolarHBondContact O-OG1 2.84Å; A67-T70 WeakPolarHBondContact CA-OG1 3.32Å; A67-T70 PolarHBondContact O-OG1 3.08Å; Y68-T70 VanDerWaalsContact C-N 3.31Å; Y68-T70 PolarHBondContact O-N 3.42Å; T70-I90 PolarHBondContact OG1-O 2.75Å; T70-Q92 HydrophobicContact CG2-CB 4.26Å; T70-Q92 HydrophobicContact CG2-CG 4.48Å; T70-Q92 WeakPolarHBondContact O-CG 3.36Å; T70-A144 HydrophobicContact CG2-CB 3.76Å
71	S	98.8	Very high	98.5	Very high	19 Å²	19	36.7 Å²	36.7	13%	0.133	20%	0.198	C	C	.	.	H	α-helix	trans	-139.6	0.8	-170.4	79.8	0	0	0	0	116	A67 F73 N74 I90	A67-S71 PolarHBondContact O-N 2.78Å; A67-S71 VanDerWaalsContact O-N 3.08Å; A67-S71 PolarHBondContact O-OG 3.29Å; S71-F73 PolarHBondContact O-N 2.92Å; S71-F73 PolarHBondContact OG-N 3.37Å; S71-N74 WeakPolarHBondContact CB-O 3.5Å; S71-N74 WeakPolarHBondContact O-CB 3.46Å; S71-N74 PolarHBondContact O-N 3.4Å; S71-N74 PolarHBondContact OG-N 3.45Å; S71-N74 PolarHBondContact OG-O 2.92Å; S71-N74 VanDerWaalsContact OG-O 3.08Å; S71-I90 WeakPolarHBondContact OG-CA 3.47Å; S71-I90 PolarHBondContact OG-O 3.16Å; S71-I90 VanDerWaalsContact OG-O 3.09Å
72	G	98.6	Very high	98.3	Very high	35 Å²	35	41.9 Å²	41.9	36%	0.361	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	36.3	-170.4	0	0	0	0	0	112.1	A67 Y68 N74	A67-G72 PolarHBondContact O-N 3.5Å; Y68-G72 VanDerWaalsContact O-CA 3.29Å; Y68-G72 WeakPolarHBondContact O-CA 3.16Å; Y68-G72 PolarHBondContact O-N 3.42Å; G72-N74 PolarHBondContact O-N 3.5Å
73	F	98.8	Very high	98.1	Very high	17 Å²	17	45.1 Å²	45.1	8%	0.075	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.3	10.7	-177.1	-48.8	-44.7	0	0	0	116.2	V37 F38 R40 L43 I64 A67 Y68 S71 W157	V37-F73 WeakPolarHBondContact CA-O 3.36Å; V37-F73 HydrophobicContact CG1-CB 4.49Å; F38-F73 HydrophobicContact CB-CB 4.19Å; F38-F73 PolarHBondContact N-O 3.22Å; F38-F73 VanDerWaalsContact N-O 3.09Å; F38-F73 VanDerWaalsContact O-CB 3.29Å; F38-F73 WeakPolarHBondContact O-CB 3.47Å; F38-F73 WeakPolarHBondContact O-CD2 3.37Å; R40-F73 HydrophobicContact CB-CE2 4.17Å; R40-F73 HydrophobicContact CB-CZ 4.41Å; L43-F73 HydrophobicContact CD2-CD1 3.45Å; L43-F73 VanDerWaalsContact CD2-CD1 3.45Å; L43-F73 HydrophobicContact CD2-CE1 3.81Å; L43-F73 HydrophobicContact CD2-CG 4.28Å; I64-F73 HydrophobicContact CG2-CE1 3.97Å; I64-F73 HydrophobicContact CG2-CZ 3.89Å; I64-F73 WeakPolarHBondContact O-CE1 3.5Å; A67-F73 HydrophobicContact CB-CD1 3.85Å; A67-F73 HydrophobicContact CB-CE1 4.03Å; A67-F73 PolarHBondContact O-N 2.89Å; Y68-F73 HydrophobicContact CD2-CD2 4.19Å; Y68-F73 HydrophobicContact CD2-CE1 4.28Å; Y68-F73 AromaticContact CD2-CE2 3.66Å; Y68-F73 HydrophobicContact CD2-CE2 3.66Å; Y68-F73 AromaticContact CD2-CZ 3.72Å; Y68-F73 HydrophobicContact CD2-CZ 3.72Å; Y68-F73 HydrophobicContact CE2-CE2 4.48Å; Y68-F73 HydrophobicContact CG-CE1 4.45Å; Y68-F73 HydrophobicContact CG-CZ 4.15Å; S71-F73 PolarHBondContact O-N 2.92Å; S71-F73 PolarHBondContact OG-N 3.37Å; F73-W157 HydrophobicContact CZ-CE3 4.39Å; F73-W157 AromaticContact CZ-CZ3 3.95Å; F73-W157 HydrophobicContact CZ-CZ3 3.95Å
74	N	98.6	Very high	97.8	Very high	49 Å²	49	48 Å²	48	26%	0.262	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-80.9	119.5	176.6	-176.6	2.6	0	0	0	110.7	V37 S71 G72 A76 A77	V37-N74 HydrophobicContact CG2-CB 4.02Å; S71-N74 WeakPolarHBondContact CB-O 3.5Å; S71-N74 WeakPolarHBondContact O-CB 3.46Å; S71-N74 PolarHBondContact O-N 3.4Å; S71-N74 PolarHBondContact OG-N 3.45Å; S71-N74 PolarHBondContact OG-O 2.92Å; S71-N74 VanDerWaalsContact OG-O 3.08Å; G72-N74 PolarHBondContact O-N 3.5Å; N74-A76 VanDerWaalsContact C-N 3.31Å; N74-A76 PolarHBondContact OD1-N 3.02Å; N74-A77 HydrophobicContact CB-CB 4.24Å
75	T	98.4	Very high	97.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-23.3	176.8	66.6	0	0	0	0	113.1	K36 F38 G89 I90 L118 G119 L122	K36-T75 HydrophobicContact CB-CG2 4.29Å; K36-T75 PolarHBondContact N-OG1 3.01Å; K36-T75 WeakPolarHBondContact O-CG2 3.36Å; K36-T75 PolarHBondContact O-N 3.29Å; K36-T75 PolarHBondContact O-OG1 3.38Å; F38-T75 HydrophobicContact CD2-CG2 3.86Å; F38-T75 HydrophobicContact CE2-CG2 3.53Å; T75-G89 VanDerWaalsContact O-CA 3.25Å; T75-G89 WeakPolarHBondContact O-CA 3.36Å; T75-I90 HydrophobicContact CG2-CD1 4.43Å; T75-L118 CarbonylContact O-C 3.54Å; T75-L118 VanDerWaalsContact O-CA 3.25Å; T75-L118 WeakPolarHBondContact O-CA 3.17Å; T75-L118 PolarHBondContact OG1-O 3Å; T75-G119 VanDerWaalsContact CB-O 3.31Å; T75-G119 WeakPolarHBondContact CB-O 3.47Å; T75-G119 PolarHBondContact OG1-O 2.81Å; T75-L122 HydrophobicContact CG2-CD2 3.82Å
76	A	97.8	Very high	97.6	Very high	36 Å²	36	48.6 Å²	48.6	30%	0.298	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	12.7	-179.6	0	0	0	0	0	113.2	A35 N74 V78	A35-A76 HydrophobicContact CB-CB 3.31Å; N74-A76 VanDerWaalsContact C-N 3.31Å; N74-A76 PolarHBondContact OD1-N 3.02Å; A76-V78 PolarHBondContact O-N 3.03Å
77	A	98.4	Very high	97.6	Very high	18 Å²	18	49.6 Å²	49.6	15%	0.149	30%	0.298	C	S	.	.			trans	-64	129.4	177.1	0	0	0	0	0	110.8	N74 G89 Q92	N74-A77 HydrophobicContact CB-CB 4.24Å; A77-G89 PolarHBondContact O-N 2.96Å; A77-Q92 PolarHBondContact O-NE2 3.15Å; A77-Q92 VanDerWaalsContact O-NE2 3.07Å
78	V	98.3	Very high	97.6	Very high	62 Å²	62	49.9 Å²	49.9	38%	0.376	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.2	173.9	-178.4	0	0	0	0	108	A76 T86 N87 L118	A76-V78 PolarHBondContact O-N 3.03Å; V78-T86 HydrophobicContact CG1-CG2 4.33Å; V78-N87 WeakPolarHBondContact CA-O 3.35Å; V78-L118 HydrophobicContact CG2-CD1 4Å; V78-L118 HydrophobicContact CG2-CD2 3.75Å
79	D	98.1	Very high	97.5	Very high	76 Å²	76	44.6 Å²	44.6	41%	0.406	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	148.4	172.4	179.7	48.8	0	0	0	110.3	T86 N87	D79-T86 CarbonylContact O-C 3.52Å; D79-T86 WeakPolarHBondContact O-CA 3.42Å; D79-T86 WeakPolarHBondContact O-CB 3.38Å; D79-N87 HydrophobicContact CB-CB 4.27Å; D79-N87 PolarHBondContact N-O 3.5Å; D79-N87 PolarHBondContact O-N 3.03Å; D79-N87 PolarHBondContact OD2-ND2 3.15Å
80	H	97.3	Very high	97.5	Very high	141 Å²	141	41 Å²	41	65%	0.653	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.6	-173.7	-70	-86.3	0	0	0	110.4
81	E	96.4	Very high	97.6	Very high	76 Å²	76	39.7 Å²	39.7	36%	0.355	26%	0.255	S	S	.	.			trans	-85.3	156.3	179.1	-66.2	-70.6	172.4	0	0	111.5	D83 G84 S85 N87	E81-D83 VanDerWaalsContact CB-OD1 3.28Å; E81-D83 WeakPolarHBondContact CB-OD1 3.27Å; E81-D83 PolarHBondContact O-N 3.23Å; E81-D83 VanDerWaalsContact O-N 3.14Å; E81-G84 PolarHBondContact O-N 2.94Å; E81-S85 WeakPolarHBondContact CB-O 3.44Å; E81-S85 WeakPolarHBondContact CB-OG 3.31Å; E81-S85 PolarHBondContact N-O 3.06Å; E81-N87 PolarHBondContact OE1-ND2 3.1Å
82	A	96.3	Very high	97.6	Very high	115 Å²	115	40.1 Å²	40.1	95%	0.95	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-23	-178.8	0	0	0	0	0	114.1	G84	A82-G84 VanDerWaalsContact C-N 3.27Å
83	D	93.1	Very high	97.6	Very high	90 Å²	90	38.6 Å²	38.6	48%	0.481	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.3	176.1	76.3	-30.4	0	0	0	113.5	E81 S85 R96	E81-D83 VanDerWaalsContact CB-OD1 3.28Å; E81-D83 WeakPolarHBondContact CB-OD1 3.27Å; E81-D83 PolarHBondContact O-N 3.23Å; E81-D83 VanDerWaalsContact O-N 3.14Å; D83-S85 VanDerWaalsContact C-N 3.3Å; D83-S85 PolarHBondContact O-N 3.18Å; D83-S85 WeakPolarHBondContact OD1-CB 3.4Å; D83-S85 PolarHBondContact OD1-N 2.97Å; D83-S85 VanDerWaalsContact OD1-N 3.12Å; D83-S85 PolarHBondContact OD1-OG 3.05Å; D83-S85 PolarHBondContact OD2-OG 3.21Å; D83-R96 IonicContact OD1-CZ 4Å; D83-R96 IonicContact OD1-NH2 3.06Å; D83-R96 PolarHBondContact OD1-NH2 3.44Å; D83-R96 IonicContact OD2-CZ 3.04Å; D83-R96 IonicContact OD2-NE 2.71Å; D83-R96 PolarHBondContact OD2-NE 3.05Å; D83-R96 IonicContact OD2-NH2 2.73Å; D83-R96 PolarHBondContact OD2-NH2 2.95Å
84	G	92.9	Very high	97.5	Very high	60 Å²	60	39 Å²	39	62%	0.619	24%	0.243	S	C	*	.	S	Bend	trans	84.7	-3.6	-179.8	0	0	0	0	0	114.6	E81 A82	E81-G84 PolarHBondContact O-N 2.94Å; A82-G84 VanDerWaalsContact C-N 3.27Å
85	S	95.9	Very high	97.5	Very high	9 Å²	9	37.4 Å²	37.4	6%	0.063	24%	0.236	C	C	.	.			trans	-71.2	160	170.3	67.9	0	0	0	0	111.2	E81 D83 S95	E81-S85 WeakPolarHBondContact CB-O 3.44Å; E81-S85 WeakPolarHBondContact CB-OG 3.31Å; E81-S85 PolarHBondContact N-O 3.06Å; D83-S85 VanDerWaalsContact C-N 3.3Å; D83-S85 PolarHBondContact O-N 3.18Å; D83-S85 WeakPolarHBondContact OD1-CB 3.4Å; D83-S85 PolarHBondContact OD1-N 2.97Å; D83-S85 VanDerWaalsContact OD1-N 3.12Å; D83-S85 PolarHBondContact OD1-OG 3.05Å; D83-S85 PolarHBondContact OD2-OG 3.21Å; S85-S95 WeakPolarHBondContact CA-OG 3.5Å; S85-S95 WeakPolarHBondContact CB-OG 3.45Å
86	T	97.9	Very high	97.4	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.025	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.1	177.3	61.8	0	0	0	0	111.3	V78 D79 N88 S94 S95	V78-T86 HydrophobicContact CG1-CG2 4.33Å; D79-T86 CarbonylContact O-C 3.52Å; D79-T86 WeakPolarHBondContact O-CA 3.42Å; D79-T86 WeakPolarHBondContact O-CB 3.38Å; T86-N88 PolarHBondContact O-ND2 3.39Å; T86-N88 PolarHBondContact OG1-ND2 2.83Å; T86-N88 PolarHBondContact OG1-OD1 2.65Å; T86-N88 VanDerWaalsContact OG1-OD1 3.09Å; T86-S94 CarbonylContact O-C 3.51Å; T86-S94 WeakPolarHBondContact O-CA 3.43Å; T86-S95 PolarHBondContact N-OG 3.31Å; T86-S95 PolarHBondContact O-N 3.2Å
87	N	98.5	Very high	97.3	Very high	22 Å²	22	49.3 Å²	49.3	12%	0.118	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.3	167.4	-58.2	-46.6	0	0	0	108.8	V78 D79 E81 Q92 S94	V78-N87 WeakPolarHBondContact CA-O 3.35Å; D79-N87 HydrophobicContact CB-CB 4.27Å; D79-N87 PolarHBondContact N-O 3.5Å; D79-N87 PolarHBondContact O-N 3.03Å; D79-N87 PolarHBondContact OD2-ND2 3.15Å; E81-N87 PolarHBondContact OE1-ND2 3.1Å; N87-Q92 HydrophobicContact CB-CB 3.92Å; N87-Q92 PolarHBondContact O-OE1 3.45Å; N87-S94 WeakPolarHBondContact OD1-CA 3.41Å; N87-S94 VanDerWaalsContact OD1-CB 3.32Å; N87-S94 WeakPolarHBondContact OD1-CB 3.4Å
88	N	98.6	Very high	97.4	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.027	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.1	-162.2	-54.9	-89.9	0	0	0	112.1	T86 Q92 I93 C114 L117 L118	T86-N88 PolarHBondContact O-ND2 3.39Å; T86-N88 PolarHBondContact OG1-ND2 2.83Å; T86-N88 PolarHBondContact OG1-OD1 2.65Å; T86-N88 VanDerWaalsContact OG1-OD1 3.09Å; N88-Q92 WeakPolarHBondContact O-CA 3.48Å; N88-Q92 PolarHBondContact O-N 2.97Å; N88-I93 PolarHBondContact N-O 2.73Å; N88-I93 PolarHBondContact ND2-O 3.06Å; N88-I93 PolarHBondContact O-N 3.45Å; N88-C114 HydrophobicContact CB-CB 4.34Å; N88-L117 HydrophobicContact CB-CB 4.35Å; N88-L117 HydrophobicContact CB-CD1 4.1Å; N88-L118 HydrophobicContact CB-CD2 4.1Å
89	G	98.5	Very high	97.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	-165.5	167.8	0	0	0	0	0	114.9	T75 A77 F91 Q92	T75-G89 VanDerWaalsContact O-CA 3.25Å; T75-G89 WeakPolarHBondContact O-CA 3.36Å; A77-G89 PolarHBondContact O-N 2.96Å; G89-F91 PolarHBondContact O-N 3.14Å; G89-F91 VanDerWaalsContact O-N 3.15Å; G89-Q92 PolarHBondContact O-N 2.92Å; G89-Q92 PolarHBondContact O-NE2 2.83Å
90	I	98.8	Very high	97.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-29.7	-168.9	-155.3	172.5	0	0	0	113.7	F38 L43 A67 T70 S71 T75 L122 T125	F38-I90 HydrophobicContact CD2-CD1 4.04Å; L43-I90 HydrophobicContact CD1-CD1 3.6Å; L43-I90 HydrophobicContact CD2-CD1 3.71Å; L43-I90 HydrophobicContact CG-CD1 4.32Å; A67-I90 HydrophobicContact CB-CD1 4.44Å; A67-I90 HydrophobicContact CB-CG1 4.13Å; T70-I90 PolarHBondContact OG1-O 2.75Å; S71-I90 WeakPolarHBondContact OG-CA 3.47Å; S71-I90 PolarHBondContact OG-O 3.16Å; S71-I90 VanDerWaalsContact OG-O 3.09Å; T75-I90 HydrophobicContact CG2-CD1 4.43Å; I90-L122 HydrophobicContact CD1-CD2 4.47Å; I90-L122 HydrophobicContact CG2-CD2 4.13Å; I90-T125 HydrophobicContact CG2-CG2 3.73Å
91	F	98.8	Very high	97.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	10.7	177.1	-59.4	-53.1	0	0	0	113.2	L47 W63 L66 A67 G89 I93 T125 V126 A129 W142	L47-F91 HydrophobicContact CD1-CE1 4.48Å; L47-F91 HydrophobicContact CD1-CZ 3.95Å; L47-F91 HydrophobicContact CD2-CZ 4.18Å; W63-F91 HydrophobicContact CE3-CE1 4.35Å; W63-F91 HydrophobicContact CE3-CZ 4.25Å; L66-F91 HydrophobicContact CD2-CD1 3.83Å; L66-F91 HydrophobicContact CD2-CE1 4.27Å; L66-F91 HydrophobicContact CG-CD1 4.02Å; A67-F91 HydrophobicContact CB-CD1 4.16Å; A67-F91 HydrophobicContact CB-CE1 3.83Å; G89-F91 PolarHBondContact O-N 3.14Å; G89-F91 VanDerWaalsContact O-N 3.15Å; F91-I93 VanDerWaalsContact C-N 3.34Å; F91-I93 HydrophobicContact CB-CD1 4.47Å; F91-I93 HydrophobicContact CB-CG1 4.12Å; F91-I93 PolarHBondContact O-N 3.02Å; F91-T125 HydrophobicContact CD2-CG2 3.59Å; F91-T125 HydrophobicContact CE2-CG2 4.08Å; F91-V126 HydrophobicContact CE2-CG2 4.5Å; F91-A129 HydrophobicContact CD2-CB 3.62Å; F91-A129 HydrophobicContact CE2-CB 3.93Å; F91-A129 HydrophobicContact CG-CB 4.37Å; F91-W142 PolarHBondContact O-NE1 2.91Å
92	Q	98.8	Very high	96.6	Very high	28 Å²	28	48.9 Å²	48.9	13%	0.131	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	49	52.7	178	-70.3	-61.9	-75	0	0	112.8	T70 A77 N87 N88 G89 S94	T70-Q92 HydrophobicContact CG2-CB 4.26Å; T70-Q92 HydrophobicContact CG2-CG 4.48Å; T70-Q92 WeakPolarHBondContact O-CG 3.36Å; A77-Q92 PolarHBondContact O-NE2 3.15Å; A77-Q92 VanDerWaalsContact O-NE2 3.07Å; N87-Q92 HydrophobicContact CB-CB 3.92Å; N87-Q92 PolarHBondContact O-OE1 3.45Å; N88-Q92 WeakPolarHBondContact O-CA 3.48Å; N88-Q92 PolarHBondContact O-N 2.97Å; G89-Q92 PolarHBondContact O-N 2.92Å; G89-Q92 PolarHBondContact O-NE2 2.83Å; Q92-S94 PolarHBondContact O-N 2.71Å
93	I	98.8	Very high	96.2	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	123.1	-176.5	-65.2	176.2	0	0	0	109.7	N88 F91 W98 L117 T125 C128 I132	N88-I93 PolarHBondContact N-O 2.73Å; N88-I93 PolarHBondContact ND2-O 3.06Å; N88-I93 PolarHBondContact O-N 3.45Å; F91-I93 VanDerWaalsContact C-N 3.34Å; F91-I93 HydrophobicContact CB-CD1 4.47Å; F91-I93 HydrophobicContact CB-CG1 4.12Å; F91-I93 PolarHBondContact O-N 3.02Å; I93-W98 HydrophobicContact CG2-CB 3.4Å; I93-W98 VanDerWaalsContact CG2-CB 3.4Å; I93-W98 HydrophobicContact CG2-CG 4.04Å; I93-L117 HydrophobicContact CB-CD1 3.88Å; I93-L117 HydrophobicContact CD1-CD1 4.35Å; I93-L117 HydrophobicContact CD1-CD2 4.23Å; I93-L117 HydrophobicContact CG2-CD1 3.96Å; I93-T125 HydrophobicContact CD1-CG2 4.46Å; I93-C128 HydrophobicContact CD1-CB 3.93Å; I93-I132 HydrophobicContact CD1-CD1 4.32Å; I93-I132 HydrophobicContact CG1-CD1 4.1Å; I93-I132 HydrophobicContact CG2-CD1 4.17Å
94	S	98.2	Very high	95.5	Very high	25 Å²	25	49 Å²	49	18%	0.175	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	131	-173.1	-177.5	0	0	0	0	113.9	T86 N87 Q92 R96 R97 W98	T86-S94 CarbonylContact O-C 3.51Å; T86-S94 WeakPolarHBondContact O-CA 3.43Å; N87-S94 WeakPolarHBondContact OD1-CA 3.41Å; N87-S94 VanDerWaalsContact OD1-CB 3.32Å; N87-S94 WeakPolarHBondContact OD1-CB 3.4Å; Q92-S94 PolarHBondContact O-N 2.71Å; S94-R96 PolarHBondContact O-N 3.24Å; S94-R96 WeakPolarHBondContact OG-CB 3.39Å; S94-R96 PolarHBondContact OG-N 3.47Å; S94-R97 PolarHBondContact O-N 3.07Å; S94-W98 WeakPolarHBondContact O-CB 3.35Å; S94-W98 PolarHBondContact O-N 2.9Å
95	S	97.9	Very high	95.2	Very high	16 Å²	16	54.8 Å²	54.8	11%	0.112	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18.7	172.1	75.4	0	0	0	0	113	S85 T86 R97 C114	S85-S95 WeakPolarHBondContact CA-OG 3.5Å; S85-S95 WeakPolarHBondContact CB-OG 3.45Å; T86-S95 PolarHBondContact N-OG 3.31Å; T86-S95 PolarHBondContact O-N 3.2Å; S95-R97 PolarHBondContact O-N 2.62Å; S95-R97 VanDerWaalsContact O-N 3.08Å; S95-C114 WeakPolarHBondContact CB-SG 3.07Å
96	R	96.1	Very high	94.9	Very high	143 Å²	143	55.5 Å²	55.5	54%	0.54	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.7	176.6	-168	-176.3	-70.1	157.7	8	111.9	D83 S94 P107	D83-R96 IonicContact OD1-CZ 4Å; D83-R96 IonicContact OD1-NH2 3.06Å; D83-R96 PolarHBondContact OD1-NH2 3.44Å; D83-R96 IonicContact OD2-CZ 3.04Å; D83-R96 IonicContact OD2-NE 2.71Å; D83-R96 PolarHBondContact OD2-NE 3.05Å; D83-R96 IonicContact OD2-NH2 2.73Å; D83-R96 PolarHBondContact OD2-NH2 2.95Å; S94-R96 PolarHBondContact O-N 3.24Å; S94-R96 WeakPolarHBondContact OG-CB 3.39Å; S94-R96 PolarHBondContact OG-N 3.47Å; R96-P107 WeakPolarHBondContact O-CD 3.2Å
97	R	97	Very high	94.8	Very high	143 Å²	143	59 Å²	59	54%	0.54	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.6	-37	-172.7	-173.6	170.6	-177.6	143.4	3.1	115	S94 S95 N108 L109	S94-R97 PolarHBondContact O-N 3.07Å; S95-R97 PolarHBondContact O-N 2.62Å; S95-R97 VanDerWaalsContact O-N 3.08Å; R97-N108 PolarHBondContact O-N 2.78Å; R97-L109 HydrophobicContact CG-CD1 3.64Å; R97-L109 HydrophobicContact CG-CG 4.2Å; R97-L109 WeakPolarHBondContact O-CG 3.47Å; R97-L109 PolarHBondContact O-N 3.01Å
98	W	98.4	Very high	94.7	Very high	47 Å²	47	59.7 Å²	59.7	18%	0.178	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-38.5	-159.7	-61.8	107.4	0	0	0	114.1	I93 S94 N108 L109 C110 K131 I132	I93-W98 HydrophobicContact CG2-CB 3.4Å; I93-W98 VanDerWaalsContact CG2-CB 3.4Å; I93-W98 HydrophobicContact CG2-CG 4.04Å; S94-W98 WeakPolarHBondContact O-CB 3.35Å; S94-W98 PolarHBondContact O-N 2.9Å; W98-N108 CarbonylContact O-C 3.49Å; W98-N108 PolarHBondContact O-OD1 3.26Å; W98-L109 HydrophobicContact CE3-CB 3.76Å; W98-L109 HydrophobicContact CE3-CD1 4.15Å; W98-L109 HydrophobicContact CH2-CD1 4.22Å; W98-L109 HydrophobicContact CZ3-CB 4.01Å; W98-L109 HydrophobicContact CZ3-CD1 3.89Å; W98-L109 PolarHBondContact O-N 3.19Å; W98-C110 WeakPolarHBondContact O-CA 3.47Å; W98-C110 WeakPolarHBondContact O-CB 3.25Å; W98-C110 PolarHBondContact O-N 3.39Å; W98-K131 HydrophobicContact CZ3-CG 4.41Å; W98-I132 HydrophobicContact CD2-CD1 3.86Å; W98-I132 HydrophobicContact CD2-CG1 3.51Å; W98-I132 HydrophobicContact CE3-CD1 4.31Å; W98-I132 HydrophobicContact CE3-CG1 3.58Å; W98-I132 HydrophobicContact CG-CD1 3.95Å; W98-I132 HydrophobicContact CG-CG1 4.16Å; W98-I132 HydrophobicContact CH2-CB 4.18Å; W98-I132 HydrophobicContact CH2-CG1 3.73Å; W98-I132 HydrophobicContact CH2-CG2 4.36Å; W98-I132 HydrophobicContact CZ2-CB 4.18Å; W98-I132 HydrophobicContact CZ2-CG1 3.67Å; W98-I132 HydrophobicContact CZ2-CG2 3.96Å; W98-I132 HydrophobicContact CZ3-CB 4.48Å; W98-I132 HydrophobicContact CZ3-CG1 3.69Å
99	C	98.3	Very high	94.7	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.007	30%	0.304	C	S	.	.	S	Bend	trans	-126.2	160.1	179.6	61.3	0	0	0	0	111	N108 I112 C114 L117	C99-N108 WeakPolarHBondContact CA-OD1 3.25Å; C99-I112 HydrophobicContact CB-CD1 4.47Å; C99-I112 HydrophobicContact CB-CG1 3.98Å; C99-C114 HydrophobicContact CB-CB 3.96Å; C99-C114 WeakPolarHBondContact CB-SG 3.43Å; C99-C114 PolarHBondContact O-SG 3.46Å; C99-C114 WeakPolarHBondContact SG-CA 3.35Å; C99-C114 WeakPolarHBondContact SG-CB 3.46Å; C99-C114 CovalentContact SG-SG 2.04Å; C99-C114 PolarHBondContact SG-SG 2.84Å; C99-L117 HydrophobicContact CB-CD1 3.99Å
100	N	97.4	Very high	94.7	Very high	34 Å²	34	63.2 Å²	63.2	18%	0.182	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-89.3	122.6	177	-172.5	-15.9	0	0	0	111.1	R102 D103 N108 I112 Y113 C114	N100-R102 VanDerWaalsContact OD1-CA 3.3Å; N100-R102 WeakPolarHBondContact OD1-CA 3.37Å; N100-R102 PolarHBondContact OD1-N 3.02Å; N100-D103 PolarHBondContact OD1-N 3.4Å; N100-D103 PolarHBondContact OD1-O 3.19Å; N100-N108 HydrophobicContact CB-CB 4.22Å; N100-N108 PolarHBondContact N-OD1 3.15Å; N100-I112 PolarHBondContact N-O 2.91Å; N100-Y113 HydrophobicContact CB-CD1 4.17Å; N100-Y113 HydrophobicContact CB-CE1 4.48Å; N100-Y113 WeakPolarHBondContact O-CA 3.31Å; N100-C114 VanDerWaalsContact C-SG 3.5Å; N100-C114 PolarHBondContact O-N 3.31Å
101	N	91.7	Very high	94.6	Very high	68 Å²	68	73.6 Å²	73.6	36%	0.364	35%	0.35	S	S	.	.	S	Bend	trans	-109	46.5	171	-165.1	26	0	0	0	112.4	D103 C114	N101-D103 PolarHBondContact O-N 3.45Å; N101-C114 HydrophobicContact CB-CB 4.42Å
102	R	87.5	Confident	94.5	Very high	215 Å²	215	74.8 Å²	74.8	81%	0.811	36%	0.356	S	S	*	.	S	Bend	trans	66.5	16.4	-176.8	-50.8	170.9	-178.5	-101.8	-2.6	114.7	N100 P104	N100-R102 VanDerWaalsContact OD1-CA 3.3Å; N100-R102 WeakPolarHBondContact OD1-CA 3.37Å; N100-R102 PolarHBondContact OD1-N 3.02Å; R102-P104 WeakPolarHBondContact O-CD 3.28Å
103	D	86.2	Confident	94.5	Very high	87 Å²	87	79.7 Å²	79.7	47%	0.465	38%	0.375	S	S	.	.			trans	-89.5	108.7	166.1	178.9	1.7	0	0	0	108.4	N100 N101 E105 G106	N100-D103 PolarHBondContact OD1-N 3.4Å; N100-D103 PolarHBondContact OD1-O 3.19Å; N101-D103 PolarHBondContact O-N 3.45Å; D103-E105 PolarHBondContact O-N 3.31Å; D103-E105 PolarHBondContact OD1-N 3.04Å; D103-G106 PolarHBondContact O-N 2.86Å
104	P	80.2	Confident	94.4	Very high	120 Å²	120	79.7 Å²	79.7	78%	0.779	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.6	-178.5	29.5	-34	0	0	0	113.3	R102	R102-P104 WeakPolarHBondContact O-CD 3.28Å
105	E	86.8	Confident	94.4	Very high	182 Å²	182	82.5 Å²	82.5	85%	0.85	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-9.3	-179	-57.8	-167.1	159.1	0	0	112.6	D103	D103-E105 PolarHBondContact O-N 3.31Å; D103-E105 PolarHBondContact OD1-N 3.04Å
106	G	88.6	Confident	94.3	Very high	23 Å²	23	85 Å²	85	24%	0.237	40%	0.403	C	S	.	.	S	Bend	trans	-64.7	145.2	-179.1	0	0	0	0	0	113.6	D103 N108	D103-G106 PolarHBondContact O-N 2.86Å; G106-N108 VanDerWaalsContact C-N 3.28Å; G106-N108 PolarHBondContact O-N 3.22Å; G106-N108 VanDerWaalsContact O-N 3.17Å
107	P	95.5	Very high	94.4	Very high	79 Å²	79	78.2 Å²	78.2	51%	0.513	38%	0.377	S	S	.	.			trans	-61.1	-30.4	-174.2	-23.8	32.6	0	0	0	115.3	R96 L109	R96-P107 WeakPolarHBondContact O-CD 3.2Å; P107-L109 VanDerWaalsContact C-N 3.32Å; P107-L109 HydrophobicContact CB-CD2 4.23Å; P107-L109 HydrophobicContact CB-CG 4.19Å; P107-L109 PolarHBondContact O-N 3.47Å
108	N	97.4	Very high	94.4	Very high	35 Å²	35	73.5 Å²	73.5	19%	0.187	36%	0.362	C	S	.	.			trans	40.7	54.8	179.7	-172.4	15.5	0	0	0	113.5	R97 W98 C99 N100 G106 C110 R111 I112	R97-N108 PolarHBondContact O-N 2.78Å; W98-N108 CarbonylContact O-C 3.49Å; W98-N108 PolarHBondContact O-OD1 3.26Å; C99-N108 WeakPolarHBondContact CA-OD1 3.25Å; N100-N108 HydrophobicContact CB-CB 4.22Å; N100-N108 PolarHBondContact N-OD1 3.15Å; G106-N108 VanDerWaalsContact C-N 3.28Å; G106-N108 PolarHBondContact O-N 3.22Å; G106-N108 VanDerWaalsContact O-N 3.17Å; N108-C110 PolarHBondContact O-N 2.91Å; N108-C110 VanDerWaalsContact O-N 3.16Å; N108-R111 PolarHBondContact O-N 2.97Å; N108-R111 WeakPolarHBondContact OD1-CA 3.36Å; N108-R111 PolarHBondContact OD1-N 3Å; N108-R111 VanDerWaalsContact OD1-N 3.12Å; N108-I112 PolarHBondContact OD1-N 3.42Å; N108-I112 VanDerWaalsContact OD1-N 3.1Å; N108-I112 PolarHBondContact OD1-O 2.99Å; N108-I112 VanDerWaalsContact OD1-O 3.06Å
109	L	98.1	Very high	94.2	Very high	59 Å²	59	72.4 Å²	72.4	31%	0.309	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.2	-171.1	-65.7	-176.8	0	0	0	113.2	R97 W98 P107 K131	R97-L109 HydrophobicContact CG-CD1 3.64Å; R97-L109 HydrophobicContact CG-CG 4.2Å; R97-L109 WeakPolarHBondContact O-CG 3.47Å; R97-L109 PolarHBondContact O-N 3.01Å; W98-L109 HydrophobicContact CE3-CB 3.76Å; W98-L109 HydrophobicContact CE3-CD1 4.15Å; W98-L109 HydrophobicContact CH2-CD1 4.22Å; W98-L109 HydrophobicContact CZ3-CB 4.01Å; W98-L109 HydrophobicContact CZ3-CD1 3.89Å; W98-L109 PolarHBondContact O-N 3.19Å; P107-L109 VanDerWaalsContact C-N 3.32Å; P107-L109 HydrophobicContact CB-CD2 4.23Å; P107-L109 HydrophobicContact CB-CG 4.19Å; P107-L109 PolarHBondContact O-N 3.47Å; L109-K131 WeakPolarHBondContact O-CE 3.4Å; L109-K131 PolarHBondContact O-NZ 3.01Å
110	C	98.3	Very high	94.1	Very high	21 Å²	21	73.5 Å²	73.5	14%	0.142	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.6	175.1	-64.9	0	0	0	0	113.6	W98 N108 I112 C128	W98-C110 WeakPolarHBondContact O-CA 3.47Å; W98-C110 WeakPolarHBondContact O-CB 3.25Å; W98-C110 PolarHBondContact O-N 3.39Å; N108-C110 PolarHBondContact O-N 2.91Å; N108-C110 VanDerWaalsContact O-N 3.16Å; C110-I112 HydrophobicContact CB-CD1 3.91Å; C110-I112 HydrophobicContact CB-CG1 3.84Å; C110-C128 HydrophobicContact CB-CB 3.75Å; C110-C128 WeakPolarHBondContact CB-SG 3.42Å; C110-C128 WeakPolarHBondContact SG-CA 3.5Å; C110-C128 WeakPolarHBondContact SG-CB 3.06Å; C110-C128 CovalentContact SG-SG 2.03Å; C110-C128 PolarHBondContact SG-SG 3.42Å
111	R	97.3	Very high	94	Very high	218 Å²	218	77 Å²	77	82%	0.823	39%	0.391	S	S	*	.			trans	58.5	43	179.1	-56.8	-178.1	177	178.8	-1.8	113.5	N108	N108-R111 PolarHBondContact O-N 2.97Å; N108-R111 WeakPolarHBondContact OD1-CA 3.36Å; N108-R111 PolarHBondContact OD1-N 3Å; N108-R111 VanDerWaalsContact OD1-N 3.12Å
112	I	97.1	Very high	94.3	Very high	25 Å²	25	73.8 Å²	73.8	13%	0.128	38%	0.375	C	S	.	.	S	Bend	trans	-135.7	161.1	-178.3	58.3	177.6	0	0	0	110	C99 N100 N108 C110 L117 C128	C99-I112 HydrophobicContact CB-CD1 4.47Å; C99-I112 HydrophobicContact CB-CG1 3.98Å; N100-I112 PolarHBondContact N-O 2.91Å; N108-I112 PolarHBondContact OD1-N 3.42Å; N108-I112 VanDerWaalsContact OD1-N 3.1Å; N108-I112 PolarHBondContact OD1-O 2.99Å; N108-I112 VanDerWaalsContact OD1-O 3.06Å; C110-I112 HydrophobicContact CB-CD1 3.91Å; C110-I112 HydrophobicContact CB-CG1 3.84Å; I112-L117 HydrophobicContact CD1-CD1 4.21Å; I112-L117 HydrophobicContact CD1-CD2 3.45Å; I112-L117 VanDerWaalsContact CD1-CD2 3.45Å; I112-L117 HydrophobicContact CD1-CG 3.83Å; I112-C128 HydrophobicContact CD1-CB 4.17Å
113	Y	97.5	Very high	94.8	Very high	131 Å²	131	69 Å²	69	51%	0.514	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-80.3	146.6	166.1	-69.2	-75.9	0	0	0	109.9	N100 T115 D116	N100-Y113 HydrophobicContact CB-CD1 4.17Å; N100-Y113 HydrophobicContact CB-CE1 4.48Å; N100-Y113 WeakPolarHBondContact O-CA 3.31Å; Y113-T115 WeakPolarHBondContact CB-OG1 3.4Å; Y113-T115 PolarHBondContact O-N 3.38Å; Y113-T115 VanDerWaalsContact O-N 3.17Å; Y113-D116 WeakPolarHBondContact CB-OD2 3.32Å; Y113-D116 PolarHBondContact N-OD2 3.48Å; Y113-D116 WeakPolarHBondContact O-CB 3.49Å; Y113-D116 PolarHBondContact O-N 3.26Å
114	C	97.9	Very high	95.3	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.014	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-61.9	-24.8	176.7	-62	0	0	0	0	112.3	N88 S95 C99 N100 N101 D116 L117	N88-C114 HydrophobicContact CB-CB 4.34Å; S95-C114 WeakPolarHBondContact CB-SG 3.07Å; C99-C114 HydrophobicContact CB-CB 3.96Å; C99-C114 WeakPolarHBondContact CB-SG 3.43Å; C99-C114 PolarHBondContact O-SG 3.46Å; C99-C114 WeakPolarHBondContact SG-CA 3.35Å; C99-C114 WeakPolarHBondContact SG-CB 3.46Å; C99-C114 CovalentContact SG-SG 2.04Å; C99-C114 PolarHBondContact SG-SG 2.84Å; N100-C114 VanDerWaalsContact C-SG 3.5Å; N100-C114 PolarHBondContact O-N 3.31Å; N101-C114 HydrophobicContact CB-CB 4.42Å; C114-D116 VanDerWaalsContact C-N 3.27Å; C114-D116 PolarHBondContact O-N 3.45Å; C114-L117 WeakPolarHBondContact O-CB 3.36Å; C114-L117 PolarHBondContact O-N 3.43Å
115	T	96.4	Very high	96.2	Very high	84 Å²	84	62.4 Å²	62.4	52%	0.515	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-66.2	-27	173.5	49.9	0	0	0	0	113.6	Y113 L117 L118	Y113-T115 WeakPolarHBondContact CB-OG1 3.4Å; Y113-T115 PolarHBondContact O-N 3.38Å; Y113-T115 VanDerWaalsContact O-N 3.17Å; T115-L117 PolarHBondContact O-N 3.12Å; T115-L118 PolarHBondContact O-N 3.09Å
116	D	96.7	Very high	96.8	Very high	68 Å²	68	53.9 Å²	53.9	36%	0.364	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-68.8	-20.1	178.7	-55.3	-30.5	0	0	0	111.1	Y113 C114 L118	Y113-D116 WeakPolarHBondContact CB-OD2 3.32Å; Y113-D116 PolarHBondContact N-OD2 3.48Å; Y113-D116 WeakPolarHBondContact O-CB 3.49Å; Y113-D116 PolarHBondContact O-N 3.26Å; C114-D116 VanDerWaalsContact C-N 3.27Å; C114-D116 PolarHBondContact O-N 3.45Å; D116-L118 VanDerWaalsContact C-N 3.31Å
117	L	97.9	Very high	97.3	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-81.3	-8.1	177.4	-59.6	174.5	0	0	0	113.9	N88 I93 C99 I112 C114 T115 T125	N88-L117 HydrophobicContact CB-CB 4.35Å; N88-L117 HydrophobicContact CB-CD1 4.1Å; I93-L117 HydrophobicContact CB-CD1 3.88Å; I93-L117 HydrophobicContact CD1-CD1 4.35Å; I93-L117 HydrophobicContact CD1-CD2 4.23Å; I93-L117 HydrophobicContact CG2-CD1 3.96Å; C99-L117 HydrophobicContact CB-CD1 3.99Å; I112-L117 HydrophobicContact CD1-CD1 4.21Å; I112-L117 HydrophobicContact CD1-CD2 3.45Å; I112-L117 VanDerWaalsContact CD1-CD2 3.45Å; I112-L117 HydrophobicContact CD1-CG 3.83Å; C114-L117 WeakPolarHBondContact O-CB 3.36Å; C114-L117 PolarHBondContact O-N 3.43Å; T115-L117 PolarHBondContact O-N 3.12Å; L117-T125 WeakPolarHBondContact CA-OG1 3.32Å; L117-T125 HydrophobicContact CD2-CG2 4.47Å; L117-T125 WeakPolarHBondContact CD2-OG1 3.37Å; L117-T125 PolarHBondContact O-OG1 2.93Å
118	L	97.4	Very high	97.4	Very high	43 Å²	43	53.5 Å²	53.5	23%	0.225	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-94.2	-9	-171.5	-54.7	-177.6	0	0	0	113.7	T75 V78 N88 T115 D116	T75-L118 CarbonylContact O-C 3.54Å; T75-L118 VanDerWaalsContact O-CA 3.25Å; T75-L118 WeakPolarHBondContact O-CA 3.17Å; T75-L118 PolarHBondContact OG1-O 3Å; V78-L118 HydrophobicContact CG2-CD1 4Å; V78-L118 HydrophobicContact CG2-CD2 3.75Å; N88-L118 HydrophobicContact CB-CD2 4.1Å; T115-L118 PolarHBondContact O-N 3.09Å; D116-L118 VanDerWaalsContact C-N 3.31Å
119	G	94.7	Very high	97.5	Very high	24 Å²	24	51.8 Å²	51.8	25%	0.247	26%	0.256	C	S	.	.	S	Bend	trans	-76.9	166.6	-177	0	0	0	0	0	113.7	T75 N121	T75-G119 VanDerWaalsContact CB-O 3.31Å; T75-G119 WeakPolarHBondContact CB-O 3.47Å; T75-G119 PolarHBondContact OG1-O 2.81Å; G119-N121 VanDerWaalsContact C-N 3.28Å; G119-N121 PolarHBondContact O-N 3.27Å
120	P	94.9	Very high	97.5	Very high	24 Å²	24	51 Å²	51	16%	0.156	25%	0.251	C	S	.	.	S	Bend	trans	-75.9	-19.1	176.8	31.9	-33.3	0	0	0	112.3	P32 G34 K36 L122	P32-P120 HydrophobicContact CB-CG 4.06Å; P32-P120 HydrophobicContact CG-CG 3.88Å; P32-P120 WeakPolarHBondContact O-CD 3.37Å; P32-P120 WeakPolarHBondContact O-CG 3.47Å; G34-P120 VanDerWaalsContact O-CD 3.29Å; G34-P120 WeakPolarHBondContact O-CD 3.25Å; K36-P120 HydrophobicContact CB-CB 3.76Å; K36-P120 HydrophobicContact CD-CB 4Å; P120-L122 PolarHBondContact O-N 3.43Å
121	N	96	Very high	97.5	Very high	107 Å²	107	54.2 Å²	54.2	57%	0.572	26%	0.263	S	S	*	.			trans	-79.8	113.5	173.1	-176.1	-24.9	0	0	0	109.4	G119 K123	G119-N121 VanDerWaalsContact C-N 3.28Å; G119-N121 PolarHBondContact O-N 3.27Å; N121-K123 VanDerWaalsContact C-N 3.3Å; N121-K123 PolarHBondContact O-N 3.47Å; N121-K123 WeakPolarHBondContact OD1-CB 3.16Å; N121-K123 PolarHBondContact OD1-N 3.28Å
122	L	97.8	Very high	97.6	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.225	C	C	.	.			trans	-82.7	-0.5	-173.7	-61.6	-177.9	0	0	0	114.3	F38 L43 L47 F50 T75 I90 P120 D124 T125 V126	F38-L122 HydrophobicContact CE2-CD1 3.81Å; F38-L122 HydrophobicContact CE2-CD2 4Å; F38-L122 HydrophobicContact CE2-CG 3.98Å; F38-L122 HydrophobicContact CZ-CD1 3.81Å; F38-L122 HydrophobicContact CZ-CG 4.02Å; L43-L122 HydrophobicContact CD1-CD1 3.46Å; L43-L122 VanDerWaalsContact CD1-CD1 3.46Å; L47-L122 HydrophobicContact CD2-CD1 4.04Å; F50-L122 HydrophobicContact CE2-CB 3.91Å; F50-L122 HydrophobicContact CZ-CB 4.49Å; T75-L122 HydrophobicContact CG2-CD2 3.82Å; I90-L122 HydrophobicContact CD1-CD2 4.47Å; I90-L122 HydrophobicContact CG2-CD2 4.13Å; P120-L122 PolarHBondContact O-N 3.43Å; L122-D124 PolarHBondContact O-N 3.5Å; L122-T125 WeakPolarHBondContact O-CB 3.08Å; L122-T125 PolarHBondContact O-N 3.35Å; L122-V126 HydrophobicContact CB-CG2 4.09Å; L122-V126 WeakPolarHBondContact O-CB 3.29Å; L122-V126 VanDerWaalsContact O-CG2 3.31Å; L122-V126 WeakPolarHBondContact O-CG2 3.39Å; L122-V126 PolarHBondContact O-N 3.19Å
123	K	97.9	Very high	97.7	Very high	114 Å²	114	42.9 Å²	42.9	50%	0.496	22%	0.219	S	C	.	.	H	α-helix	trans	-53.4	-55.2	-172	-179.3	-179.7	176.5	-177.3	0	113.4	F50 N121 T125 V126 I127	F50-K123 HydrophobicContact CE1-CB 3.98Å; F50-K123 HydrophobicContact CE1-CG 4.32Å; F50-K123 HydrophobicContact CZ-CB 4.15Å; N121-K123 VanDerWaalsContact C-N 3.3Å; N121-K123 PolarHBondContact O-N 3.47Å; N121-K123 WeakPolarHBondContact OD1-CB 3.16Å; N121-K123 PolarHBondContact OD1-N 3.28Å; K123-T125 VanDerWaalsContact C-N 3.32Å; K123-T125 PolarHBondContact O-N 3.08Å; K123-V126 PolarHBondContact O-N 2.04Å; K123-I127 HydrophobicContact CG-CD1 3.93Å; K123-I127 VanDerWaalsContact O-CG1 3.25Å; K123-I127 WeakPolarHBondContact O-CG1 3.46Å; K123-I127 PolarHBondContact O-N 3.49Å
124	D	97.9	Very high	97.7	Very high	69 Å²	69	41.7 Å²	41.7	37%	0.369	22%	0.218	S	C	.	.	H	α-helix	trans	-69.3	-35.2	-177.5	-65.8	-37.4	0	0	0	111.5	L122 I127 C128	L122-D124 PolarHBondContact O-N 3.5Å; D124-I127 PolarHBondContact O-N 3.19Å; D124-C128 WeakPolarHBondContact O-CB 3.48Å; D124-C128 PolarHBondContact O-N 3.37Å
125	T	98.4	Very high	97.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.9	-47.6	175.1	-59.9	0	0	0	0	112.3	I90 F91 I93 L117 L122 K123 C128 A129	I90-T125 HydrophobicContact CG2-CG2 3.73Å; F91-T125 HydrophobicContact CD2-CG2 3.59Å; F91-T125 HydrophobicContact CE2-CG2 4.08Å; I93-T125 HydrophobicContact CD1-CG2 4.46Å; L117-T125 WeakPolarHBondContact CA-OG1 3.32Å; L117-T125 HydrophobicContact CD2-CG2 4.47Å; L117-T125 WeakPolarHBondContact CD2-OG1 3.37Å; L117-T125 PolarHBondContact O-OG1 2.93Å; L122-T125 WeakPolarHBondContact O-CB 3.08Å; L122-T125 PolarHBondContact O-N 3.35Å; K123-T125 VanDerWaalsContact C-N 3.32Å; K123-T125 PolarHBondContact O-N 3.08Å; T125-C128 PolarHBondContact O-N 2.99Å; T125-A129 WeakPolarHBondContact O-CB 3.45Å; T125-A129 PolarHBondContact O-N 2.97Å
126	V	98.8	Very high	97.7	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-48	176.5	166.5	0	0	0	0	110.6	L47 F50 L52 F91 L122 K123 C128 A129 M130	L47-V126 HydrophobicContact CD2-CG2 3.75Å; F50-V126 HydrophobicContact CB-CG1 3.82Å; F50-V126 HydrophobicContact CB-CG2 4.37Å; F50-V126 HydrophobicContact CD1-CG1 4.41Å; F50-V126 HydrophobicContact CD2-CG2 3.89Å; F50-V126 HydrophobicContact CE2-CG2 4.44Å; F50-V126 HydrophobicContact CG-CB 4.36Å; F50-V126 HydrophobicContact CG-CG1 4.07Å; F50-V126 HydrophobicContact CG-CG2 4.08Å; L52-V126 HydrophobicContact CD1-CG1 4.24Å; L52-V126 HydrophobicContact CD1-CG2 4.37Å; L52-V126 HydrophobicContact CD2-CG1 4.28Å; L52-V126 HydrophobicContact CG-CG1 4.23Å; F91-V126 HydrophobicContact CE2-CG2 4.5Å; L122-V126 HydrophobicContact CB-CG2 4.09Å; L122-V126 WeakPolarHBondContact O-CB 3.29Å; L122-V126 VanDerWaalsContact O-CG2 3.31Å; L122-V126 WeakPolarHBondContact O-CG2 3.39Å; L122-V126 PolarHBondContact O-N 3.19Å; K123-V126 PolarHBondContact O-N 2.04Å; V126-C128 VanDerWaalsContact C-N 3.26Å; V126-C128 PolarHBondContact O-N 3.39Å; V126-A129 PolarHBondContact O-N 3Å; V126-A129 VanDerWaalsContact O-N 3.15Å; V126-M130 HydrophobicContact CG1-CG 4.23Å; V126-M130 HydrophobicContact CG1-SD 3.81Å; V126-M130 WeakPolarHBondContact O-CB 3.49Å; V126-M130 VanDerWaalsContact O-CG 3.28Å; V126-M130 WeakPolarHBondContact O-CG 3.49Å; V126-M130 PolarHBondContact O-N 3.46Å
127	I	98.8	Very high	97.8	Very high	93 Å²	93	45.9 Å²	45.9	48%	0.477	25%	0.25	S	C	.	.	H	α-helix	trans	-57.3	-43.9	179.1	-71.5	167.4	0	0	0	110.6	K123 D124 K131	K123-I127 HydrophobicContact CG-CD1 3.93Å; K123-I127 VanDerWaalsContact O-CG1 3.25Å; K123-I127 WeakPolarHBondContact O-CG1 3.46Å; K123-I127 PolarHBondContact O-N 3.49Å; D124-I127 PolarHBondContact O-N 3.19Å; I127-K131 PolarHBondContact O-N 2.97Å; I127-K131 VanDerWaalsContact O-N 3.09Å
128	C	98.8	Very high	97.8	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-43.5	177.5	-170.6	0	0	0	0	111.7	I93 C110 I112 D124 T125 V126 M130 K131 I132	I93-C128 HydrophobicContact CD1-CB 3.93Å; C110-C128 HydrophobicContact CB-CB 3.75Å; C110-C128 WeakPolarHBondContact CB-SG 3.42Å; C110-C128 WeakPolarHBondContact SG-CA 3.5Å; C110-C128 WeakPolarHBondContact SG-CB 3.06Å; C110-C128 CovalentContact SG-SG 2.03Å; C110-C128 PolarHBondContact SG-SG 3.42Å; I112-C128 HydrophobicContact CD1-CB 4.17Å; D124-C128 WeakPolarHBondContact O-CB 3.48Å; D124-C128 PolarHBondContact O-N 3.37Å; T125-C128 PolarHBondContact O-N 2.99Å; V126-C128 VanDerWaalsContact C-N 3.26Å; V126-C128 PolarHBondContact O-N 3.39Å; C128-M130 PolarHBondContact O-N 2.03Å; C128-K131 WeakPolarHBondContact O-CB 3.31Å; C128-K131 PolarHBondContact O-N 2.78Å; C128-K131 VanDerWaalsContact O-N 3.14Å; C128-I132 WeakPolarHBondContact O-CG1 3.47Å; C128-I132 PolarHBondContact O-N 2.82Å
129	A	98.8	Very high	97.8	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-41.4	177	0	0	0	0	0	112.7	W63 F91 T125 V126 K131 I132 A133 W142	W63-A129 HydrophobicContact CZ3-CB 3.99Å; F91-A129 HydrophobicContact CD2-CB 3.62Å; F91-A129 HydrophobicContact CE2-CB 3.93Å; F91-A129 HydrophobicContact CG-CB 4.37Å; T125-A129 WeakPolarHBondContact O-CB 3.45Å; T125-A129 PolarHBondContact O-N 2.97Å; V126-A129 PolarHBondContact O-N 3Å; V126-A129 VanDerWaalsContact O-N 3.15Å; A129-K131 VanDerWaalsContact C-N 3.32Å; A129-K131 PolarHBondContact O-N 3.43Å; A129-I132 PolarHBondContact O-N 3.46Å; A129-A133 WeakPolarHBondContact O-CB 3.49Å; A129-A133 PolarHBondContact O-N 2.85Å; A129-W142 HydrophobicContact CB-CH2 4.35Å; A129-W142 HydrophobicContact CB-CZ2 4.4Å
130	M	98.8	Very high	98	Very high	41 Å²	41	47.5 Å²	47.5	20%	0.202	25%	0.247	C	C	.	.	H	α-helix	trans	-58.1	-44.6	172.4	-72.4	172.6	86.5	0	0	111.1	L52 Y55 V126 C128 I132 A133 Q134	L52-M130 HydrophobicContact CD2-CG 3.56Å; L52-M130 HydrophobicContact CD2-SD 4.19Å; Y55-M130 HydrophobicContact CD1-CG 4.2Å; Y55-M130 HydrophobicContact CD2-CE 3.52Å; Y55-M130 HydrophobicContact CE1-CB 3.73Å; Y55-M130 HydrophobicContact CE1-CE 4.35Å; Y55-M130 HydrophobicContact CE1-CG 3.87Å; Y55-M130 HydrophobicContact CE2-CE 3.21Å; Y55-M130 HydrophobicContact CE2-CG 4.42Å; Y55-M130 HydrophobicContact CG-CE 4.21Å; Y55-M130 PolarHBondContact OH-O 3.31Å; V126-M130 HydrophobicContact CG1-CG 4.23Å; V126-M130 HydrophobicContact CG1-SD 3.81Å; V126-M130 WeakPolarHBondContact O-CB 3.49Å; V126-M130 VanDerWaalsContact O-CG 3.28Å; V126-M130 WeakPolarHBondContact O-CG 3.49Å; V126-M130 PolarHBondContact O-N 3.46Å; C128-M130 PolarHBondContact O-N 2.03Å; M130-I132 VanDerWaalsContact C-N 3.32Å; M130-I132 PolarHBondContact O-N 3.47Å; M130-A133 PolarHBondContact O-N 3.32Å; M130-Q134 WeakPolarHBondContact O-CG 3.2Å; M130-Q134 PolarHBondContact O-N 3.44Å
131	K	98.7	Very high	98.2	Very high	90 Å²	90	49 Å²	49	39%	0.391	26%	0.257	S	S	.	.	H	α-helix	trans	-61.5	-39.4	176.8	-175.2	172.1	-174.6	163.5	0	112.5	W98 L109 I127 C128 A129 Q134	W98-K131 HydrophobicContact CZ3-CG 4.41Å; L109-K131 WeakPolarHBondContact O-CE 3.4Å; L109-K131 PolarHBondContact O-NZ 3.01Å; I127-K131 PolarHBondContact O-N 2.97Å; I127-K131 VanDerWaalsContact O-N 3.09Å; C128-K131 WeakPolarHBondContact O-CB 3.31Å; C128-K131 PolarHBondContact O-N 2.78Å; C128-K131 VanDerWaalsContact O-N 3.14Å; A129-K131 VanDerWaalsContact C-N 3.32Å; A129-K131 PolarHBondContact O-N 3.43Å; K131-Q134 PolarHBondContact O-N 3.47Å
132	I	98.7	Very high	98.3	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-46.4	174.7	-60.6	166.8	0	0	0	110	I93 W98 C128 A129 M130 Q134 G135 W142	I93-I132 HydrophobicContact CD1-CD1 4.32Å; I93-I132 HydrophobicContact CG1-CD1 4.1Å; I93-I132 HydrophobicContact CG2-CD1 4.17Å; W98-I132 HydrophobicContact CD2-CD1 3.86Å; W98-I132 HydrophobicContact CD2-CG1 3.51Å; W98-I132 HydrophobicContact CE3-CD1 4.31Å; W98-I132 HydrophobicContact CE3-CG1 3.58Å; W98-I132 HydrophobicContact CG-CD1 3.95Å; W98-I132 HydrophobicContact CG-CG1 4.16Å; W98-I132 HydrophobicContact CH2-CB 4.18Å; W98-I132 HydrophobicContact CH2-CG1 3.73Å; W98-I132 HydrophobicContact CH2-CG2 4.36Å; W98-I132 HydrophobicContact CZ2-CB 4.18Å; W98-I132 HydrophobicContact CZ2-CG1 3.67Å; W98-I132 HydrophobicContact CZ2-CG2 3.96Å; W98-I132 HydrophobicContact CZ3-CB 4.48Å; W98-I132 HydrophobicContact CZ3-CG1 3.69Å; C128-I132 WeakPolarHBondContact O-CG1 3.47Å; C128-I132 PolarHBondContact O-N 2.82Å; A129-I132 PolarHBondContact O-N 3.46Å; M130-I132 VanDerWaalsContact C-N 3.32Å; M130-I132 PolarHBondContact O-N 3.47Å; I132-Q134 PolarHBondContact O-N 3.14Å; I132-G135 PolarHBondContact O-N 3.09Å; I132-W142 HydrophobicContact CB-CH2 3.44Å; I132-W142 VanDerWaalsContact CB-CH2 3.44Å; I132-W142 HydrophobicContact CB-CZ2 4.11Å; I132-W142 HydrophobicContact CB-CZ3 3.98Å; I132-W142 HydrophobicContact CD1-CH2 3.89Å; I132-W142 HydrophobicContact CD1-CZ2 3.62Å; I132-W142 HydrophobicContact CG1-CH2 4.23Å; I132-W142 HydrophobicContact CG1-CZ2 4.45Å; I132-W142 HydrophobicContact CG2-CE3 4.18Å; I132-W142 HydrophobicContact CG2-CH2 3.31Å; I132-W142 HydrophobicContact CG2-CZ2 3.94Å; I132-W142 HydrophobicContact CG2-CZ3 3.41Å; I132-W142 VanDerWaalsContact CG2-CZ3 3.41Å
133	A	98.4	Very high	98.3	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-68.1	-16.7	-179.4	0	0	0	0	0	114.3	Y55 W63 A129 M130 G135 L139	Y55-A133 HydrophobicContact CE1-CB 4.26Å; W63-A133 HydrophobicContact CH2-CB 3.75Å; W63-A133 HydrophobicContact CZ2-CB 4.25Å; A129-A133 WeakPolarHBondContact O-CB 3.49Å; A129-A133 PolarHBondContact O-N 2.85Å; M130-A133 PolarHBondContact O-N 3.32Å; A133-G135 PolarHBondContact O-N 2.75Å; A133-L139 HydrophobicContact CB-CD2 4.22Å
134	Q	98.1	Very high	98.3	Very high	106 Å²	106	45.9 Å²	45.9	50%	0.495	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-23.6	168.4	-72.1	169	24.8	0	0	112.7	Y55 M130 K131 I132	Y55-Q134 VanDerWaalsContact OH-CG 3.25Å; Y55-Q134 WeakPolarHBondContact OH-CG 3.4Å; Y55-Q134 PolarHBondContact OH-NE2 3.46Å; M130-Q134 WeakPolarHBondContact O-CG 3.2Å; M130-Q134 PolarHBondContact O-N 3.44Å; K131-Q134 PolarHBondContact O-N 3.47Å; I132-Q134 PolarHBondContact O-N 3.14Å
135	G	97.6	Very high	98.3	Very high	27 Å²	27	43.3 Å²	43.3	28%	0.278	23%	0.229	S	C	.	.	S	Bend	trans	-62.7	163.3	178.5	0	0	0	0	0	113.2	I132 A133 M137 G138	I132-G135 PolarHBondContact O-N 3.09Å; A133-G135 PolarHBondContact O-N 2.75Å; G135-M137 PolarHBondContact O-N 2.99Å; G135-G138 PolarHBondContact O-N 3.17Å
136	P	97.1	Very high	98.4	Very high	133 Å²	133	47.2 Å²	47.2	86%	0.864	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-19.1	-175.1	26	-35.6	0	0	0	114	R140	P136-R140 PolarHBondContact O-NH2 3.17Å
137	M	97.8	Very high	98.4	Very high	82 Å²	82	52.4 Å²	52.4	40%	0.404	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-20	176	-70.8	-65.3	-75.1	0	0	112.9	G135 R140 S141	G135-M137 PolarHBondContact O-N 2.99Å; M137-R140 HydrophobicContact CB-CB 4.44Å; M137-R140 HydrophobicContact CE-CB 3.85Å; M137-R140 WeakPolarHBondContact O-CB 3.04Å; M137-R140 WeakPolarHBondContact O-CG 3.07Å; M137-R140 PolarHBondContact O-N 3.42Å; M137-R140 PolarHBondContact O-NE 3.06Å; M137-S141 WeakPolarHBondContact CB-OG 3.43Å
138	G	98.3	Very high	98.3	Very high	5 Å²	5	51.7 Å²	51.7	5%	0.052	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	56	-137.8	-172.5	0	0	0	0	0	111.7	G135 R140 S141	G135-G138 PolarHBondContact O-N 3.17Å; G138-R140 PolarHBondContact O-N 2.89Å; G138-S141 WeakPolarHBondContact O-CB 3.37Å; G138-S141 PolarHBondContact O-N 3.31Å; G138-S141 VanDerWaalsContact O-N 3.15Å; G138-S141 PolarHBondContact O-OG 3.4Å
139	L	98.6	Very high	98.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-65.7	-15.9	174.1	-66.1	-170	0	0	0	113.7	Y58 D62 W63 L66 A133 S141 W142 W145	Y58-L139 HydrophobicContact CD1-CB 4.32Å; Y58-L139 HydrophobicContact CD1-CD1 3.53Å; Y58-L139 HydrophobicContact CD1-CG 3.84Å; Y58-L139 HydrophobicContact CD2-CD1 4.12Å; Y58-L139 HydrophobicContact CD2-CG 3.79Å; Y58-L139 HydrophobicContact CE1-CB 3.87Å; Y58-L139 HydrophobicContact CE1-CD1 3.96Å; Y58-L139 HydrophobicContact CE1-CG 3.84Å; Y58-L139 HydrophobicContact CE2-CB 4.28Å; Y58-L139 HydrophobicContact CE2-CD1 4.5Å; Y58-L139 HydrophobicContact CE2-CG 3.79Å; Y58-L139 HydrophobicContact CG-CD1 3.61Å; Y58-L139 HydrophobicContact CG-CG 3.8Å; Y58-L139 PolarHBondContact OH-N 2.94Å; Y58-L139 VanDerWaalsContact OH-N 3.1Å; D62-L139 HydrophobicContact CB-CD1 3.74Å; W63-L139 HydrophobicContact CD2-CD2 4.45Å; W63-L139 HydrophobicContact CE3-CD2 4.07Å; W63-L139 HydrophobicContact CH2-CD2 3.56Å; W63-L139 HydrophobicContact CZ2-CD2 3.93Å; W63-L139 HydrophobicContact CZ3-CD2 3.63Å; L66-L139 HydrophobicContact CD2-CD2 4.14Å; A133-L139 HydrophobicContact CB-CD2 4.22Å; L139-S141 PolarHBondContact O-N 3.18Å; L139-W142 HydrophobicContact CD2-CE3 4.16Å; L139-W142 HydrophobicContact CD2-CZ3 3.81Å; L139-W142 PolarHBondContact O-N 3.1Å; L139-W145 HydrophobicContact CB-CD2 3.64Å; L139-W145 HydrophobicContact CB-CE3 3.94Å; L139-W145 HydrophobicContact CB-CG 4.01Å; L139-W145 HydrophobicContact CB-CH2 4.5Å; L139-W145 HydrophobicContact CB-CZ2 4.24Å; L139-W145 HydrophobicContact CB-CZ3 4.35Å; L139-W145 HydrophobicContact CD1-CD2 4.42Å; L139-W145 HydrophobicContact CD1-CZ2 4.33Å
140	R	98.3	Very high	98.3	Very high	97 Å²	97	55.7 Å²	55.7	37%	0.366	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-66	-6.9	172.3	-53.6	177.4	-59.8	168.9	2.9	112.9	P136 M137 G138 W142 W145 R146	P136-R140 PolarHBondContact O-NH2 3.17Å; M137-R140 HydrophobicContact CB-CB 4.44Å; M137-R140 HydrophobicContact CE-CB 3.85Å; M137-R140 WeakPolarHBondContact O-CB 3.04Å; M137-R140 WeakPolarHBondContact O-CG 3.07Å; M137-R140 PolarHBondContact O-N 3.42Å; M137-R140 PolarHBondContact O-NE 3.06Å; G138-R140 PolarHBondContact O-N 2.89Å; R140-W142 PolarHBondContact O-N 2.91Å; R140-W145 HydrophobicContact CG-CE3 4.24Å; R140-W145 HydrophobicContact CG-CZ3 3.71Å; R140-R146 HydrophobicContact CB-CG 3.93Å; R140-R146 HydrophobicContact CG-CG 4.39Å; R140-R146 WeakPolarHBondContact O-CD 3.25Å; R140-R146 PolarHBondContact O-NH1 3.42Å
141	S	98	Very high	98.3	Very high	54 Å²	54	57.9 Å²	57.9	38%	0.378	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-62.2	-27.7	169.1	-52.9	0	0	0	0	111.7	M137 G138 L139	M137-S141 WeakPolarHBondContact CB-OG 3.43Å; G138-S141 WeakPolarHBondContact O-CB 3.37Å; G138-S141 PolarHBondContact O-N 3.31Å; G138-S141 VanDerWaalsContact O-N 3.15Å; G138-S141 PolarHBondContact O-OG 3.4Å; L139-S141 PolarHBondContact O-N 3.18Å
142	W	98.6	Very high	98.3	Very high	21 Å²	21	59 Å²	59	8%	0.08	32%	0.318	C	S	.	.	S	Bend	trans	-93.1	122.5	175.5	-71.3	-97	0	0	0	111.2	L66 F91 A129 I132 L139 R140 W145 R146	L66-W142 HydrophobicContact CD1-CB 3.5Å; L66-W142 HydrophobicContact CD1-CD2 4.13Å; L66-W142 HydrophobicContact CD1-CG 3.5Å; L66-W142 HydrophobicContact CD2-CD2 4.1Å; L66-W142 HydrophobicContact CD2-CE3 4.38Å; L66-W142 HydrophobicContact CD2-CG 4.34Å; F91-W142 PolarHBondContact O-NE1 2.91Å; A129-W142 HydrophobicContact CB-CH2 4.35Å; A129-W142 HydrophobicContact CB-CZ2 4.4Å; I132-W142 HydrophobicContact CB-CH2 3.44Å; I132-W142 VanDerWaalsContact CB-CH2 3.44Å; I132-W142 HydrophobicContact CB-CZ2 4.11Å; I132-W142 HydrophobicContact CB-CZ3 3.98Å; I132-W142 HydrophobicContact CD1-CH2 3.89Å; I132-W142 HydrophobicContact CD1-CZ2 3.62Å; I132-W142 HydrophobicContact CG1-CH2 4.23Å; I132-W142 HydrophobicContact CG1-CZ2 4.45Å; I132-W142 HydrophobicContact CG2-CE3 4.18Å; I132-W142 HydrophobicContact CG2-CH2 3.31Å; I132-W142 HydrophobicContact CG2-CZ2 3.94Å; I132-W142 HydrophobicContact CG2-CZ3 3.41Å; I132-W142 VanDerWaalsContact CG2-CZ3 3.41Å; L139-W142 HydrophobicContact CD2-CE3 4.16Å; L139-W142 HydrophobicContact CD2-CZ3 3.81Å; L139-W142 PolarHBondContact O-N 3.1Å; R140-W142 PolarHBondContact O-N 2.91Å; W142-W145 HydrophobicContact CB-CB 4.13Å; W142-W145 PolarHBondContact O-N 3.12Å; W142-R146 PolarHBondContact O-N 2.92Å
143	E	98.1	Very high	98.2	Very high	117 Å²	117	64.5 Å²	64.5	55%	0.547	35%	0.348	S	S	.	.	H	α-helix	trans	-62.6	-42.5	177.1	-177.5	164.6	175.3	0	0	112.7	W145 R146 H147	E143-W145 VanDerWaalsContact C-N 3.28Å; E143-W145 PolarHBondContact O-N 3.16Å; E143-R146 VanDerWaalsContact CB-NH2 3.35Å; E143-R146 PolarHBondContact O-N 2.82Å; E143-R146 VanDerWaalsContact O-N 3.12Å; E143-R146 IonicContact OE2-NH2 3.83Å; E143-H147 WeakPolarHBondContact CG-CE1 3.24Å; E143-H147 WeakPolarHBondContact CG-ND1 3.38Å; E143-H147 PolarHBondContact O-N 3.25Å; E143-H147 IonicContact OE1-CE1 3.19Å; E143-H147 PolarHBondContact OE1-CE1 3.18Å; E143-H147 IonicContact OE1-ND1 3.71Å
144	A	98.2	Very high	98.2	Very high	20 Å²	20	65.2 Å²	65.2	17%	0.165	35%	0.351	C	S	.	.	H	α-helix	trans	-53	-45.8	175	0	0	0	0	0	111.8	F69 T70 H147 H148	F69-A144 HydrophobicContact CB-CB 4.05Å; T70-A144 HydrophobicContact CG2-CB 3.76Å; A144-H147 PolarHBondContact O-N 3.3Å; A144-H148 VanDerWaalsContact O-CB 3.31Å; A144-H148 WeakPolarHBondContact O-CB 3.47Å; A144-H148 PolarHBondContact O-CD2 3.33Å; A144-H148 VanDerWaalsContact O-CD2 3.25Å; A144-H148 PolarHBondContact O-N 2.96Å
145	W	98.8	Very high	98.2	Very high	15 Å²	15	64.8 Å²	64.8	6%	0.057	35%	0.349	C	S	.	.	H	α-helix	trans	-67.2	-41.4	178.4	-172.7	89.6	0	0	0	112.4	Y58 D62 L66 L139 R140 W142 E143 H147 C149 Q150	Y58-W145 HydrophobicContact CD1-CZ2 4.14Å; Y58-W145 AromaticContact CE1-CH2 3.91Å; Y58-W145 HydrophobicContact CE1-CH2 3.91Å; Y58-W145 AromaticContact CE1-CZ2 3.87Å; Y58-W145 HydrophobicContact CE1-CZ2 3.87Å; D62-W145 WeakPolarHBondContact OD1-CZ2 3.28Å; L66-W145 HydrophobicContact CD1-CB 3.84Å; L139-W145 HydrophobicContact CB-CD2 3.64Å; L139-W145 HydrophobicContact CB-CE3 3.94Å; L139-W145 HydrophobicContact CB-CG 4.01Å; L139-W145 HydrophobicContact CB-CH2 4.5Å; L139-W145 HydrophobicContact CB-CZ2 4.24Å; L139-W145 HydrophobicContact CB-CZ3 4.35Å; L139-W145 HydrophobicContact CD1-CD2 4.42Å; L139-W145 HydrophobicContact CD1-CZ2 4.33Å; R140-W145 HydrophobicContact CG-CE3 4.24Å; R140-W145 HydrophobicContact CG-CZ3 3.71Å; W142-W145 HydrophobicContact CB-CB 4.13Å; W142-W145 PolarHBondContact O-N 3.12Å; E143-W145 VanDerWaalsContact C-N 3.28Å; E143-W145 PolarHBondContact O-N 3.16Å; W145-H147 VanDerWaalsContact C-N 3.32Å; W145-H147 PolarHBondContact O-N 3.49Å; W145-C149 HydrophobicContact CB-CB 4.49Å; W145-C149 HydrophobicContact CD2-CB 4.19Å; W145-C149 HydrophobicContact CG-CB 3.81Å; W145-C149 WeakPolarHBondContact O-CA 3.45Å; W145-C149 WeakPolarHBondContact O-CB 3.45Å; W145-C149 PolarHBondContact O-N 3.39Å; W145-Q150 HydrophobicContact CE3-CB 3.84Å; W145-Q150 HydrophobicContact CE3-CG 4.35Å; W145-Q150 HydrophobicContact CH2-CB 3.86Å; W145-Q150 HydrophobicContact CH2-CG 3.78Å; W145-Q150 HydrophobicContact CZ3-CB 3.46Å; W145-Q150 VanDerWaalsContact CZ3-CB 3.46Å; W145-Q150 HydrophobicContact CZ3-CG 3.5Å; W145-Q150 PolarHBondContact O-N 2.66Å
146	R	98.6	Very high	98.2	Very high	83 Å²	83	68.5 Å²	68.5	31%	0.313	36%	0.362	S	S	.	.	H	α-helix	trans	-58.1	-43.1	176.2	-66.4	-167.8	-54.3	-92	1.5	112.4	R140 W142 E143	R140-R146 HydrophobicContact CB-CG 3.93Å; R140-R146 HydrophobicContact CG-CG 4.39Å; R140-R146 WeakPolarHBondContact O-CD 3.25Å; R140-R146 PolarHBondContact O-NH1 3.42Å; W142-R146 PolarHBondContact O-N 2.92Å; E143-R146 VanDerWaalsContact CB-NH2 3.35Å; E143-R146 PolarHBondContact O-N 2.82Å; E143-R146 VanDerWaalsContact O-N 3.12Å; E143-R146 IonicContact OE2-NH2 3.83Å
147	H	98.6	Very high	98.2	Very high	110 Å²	110	64.3 Å²	64.3	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-83.3	-31.9	-174.9	-66.4	146.7	0	0	0	113.6	E143 A144 W145	E143-H147 WeakPolarHBondContact CG-CE1 3.24Å; E143-H147 WeakPolarHBondContact CG-ND1 3.38Å; E143-H147 PolarHBondContact O-N 3.25Å; E143-H147 IonicContact OE1-CE1 3.19Å; E143-H147 PolarHBondContact OE1-CE1 3.18Å; E143-H147 IonicContact OE1-ND1 3.71Å; A144-H147 PolarHBondContact O-N 3.3Å; W145-H147 VanDerWaalsContact C-N 3.32Å; W145-H147 PolarHBondContact O-N 3.49Å
148	H	98.6	Very high	98.2	Very high	79 Å²	79	62.1 Å²	62.1	37%	0.366	32%	0.321	S	S	.	.	H	α-helix	trans	-110.9	-21.9	-169.6	-61.2	-76.5	0	0	0	114.8	F69 A144 K152	F69-H148 HydrophobicContact CB-CB 4.13Å; F69-H148 HydrophobicContact CD1-CB 3.61Å; F69-H148 AromaticContact CD1-CD2 3.72Å; F69-H148 AromaticContact CD1-CG 3.36Å; F69-H148 AromaticContact CD1-ND1 3.63Å; F69-H148 HydrophobicContact CD2-CB 3.34Å; F69-H148 HydrophobicContact CE1-CB 3.77Å; F69-H148 AromaticContact CE1-CG 3.59Å; F69-H148 AromaticContact CE1-ND1 3.45Å; F69-H148 WeakPolarHBondContact CE1-ND1 3.45Å; F69-H148 HydrophobicContact CE2-CB 3.51Å; F69-H148 HydrophobicContact CG-CB 3.4Å; F69-H148 VanDerWaalsContact CG-CB 3.4Å; F69-H148 AromaticContact CG-CD2 3.98Å; F69-H148 AromaticContact CG-CG 3.64Å; F69-H148 HydrophobicContact CZ-CB 3.72Å; A144-H148 VanDerWaalsContact O-CB 3.31Å; A144-H148 WeakPolarHBondContact O-CB 3.47Å; A144-H148 PolarHBondContact O-CD2 3.33Å; A144-H148 VanDerWaalsContact O-CD2 3.25Å; A144-H148 PolarHBondContact O-N 2.96Å; H148-K152 VanDerWaalsContact O-CD 3.26Å; H148-K152 WeakPolarHBondContact O-CD 3.34Å; H148-K152 VanDerWaalsContact O-CE 3.26Å; H148-K152 WeakPolarHBondContact O-CE 3.36Å; H148-K152 PolarHBondContact O-NZ 3.31Å
149	C	98.7	Very high	98.2	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-40.2	-171.8	-51.4	0	0	0	0	113.2	C65 W145 G151 K152 L154	C65-C149 HydrophobicContact CB-CB 3.88Å; C65-C149 WeakPolarHBondContact CB-SG 3.49Å; C65-C149 VanDerWaalsContact SG-CA 3.54Å; C65-C149 WeakPolarHBondContact SG-CB 3.45Å; C65-C149 CovalentContact SG-SG 2.03Å; C65-C149 PolarHBondContact SG-SG 3.31Å; W145-C149 HydrophobicContact CB-CB 4.49Å; W145-C149 HydrophobicContact CD2-CB 4.19Å; W145-C149 HydrophobicContact CG-CB 3.81Å; W145-C149 WeakPolarHBondContact O-CA 3.45Å; W145-C149 WeakPolarHBondContact O-CB 3.45Å; W145-C149 PolarHBondContact O-N 3.39Å; C149-G151 PolarHBondContact O-N 2.98Å; C149-K152 PolarHBondContact O-N 3.48Å; C149-L154 HydrophobicContact CB-CD1 4.12Å; C149-L154 HydrophobicContact CB-CD2 4.39Å
150	Q	98.4	Very high	98.2	Very high	85 Å²	85	69.8 Å²	69.8	40%	0.397	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	127.5	-172.3	-173.4	175.5	-6.3	0	0	112.6	W145 K152	W145-Q150 HydrophobicContact CE3-CB 3.84Å; W145-Q150 HydrophobicContact CE3-CG 4.35Å; W145-Q150 HydrophobicContact CH2-CB 3.86Å; W145-Q150 HydrophobicContact CH2-CG 3.78Å; W145-Q150 HydrophobicContact CZ3-CB 3.46Å; W145-Q150 VanDerWaalsContact CZ3-CB 3.46Å; W145-Q150 HydrophobicContact CZ3-CG 3.5Å; W145-Q150 PolarHBondContact O-N 2.66Å; Q150-K152 PolarHBondContact O-N 3.23Å
151	G	97.9	Very high	98.1	Very high	86 Å²	86	65.8 Å²	65.8	89%	0.887	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	13.2	174.7	0	0	0	0	0	114.5	C149	C149-G151 PolarHBondContact O-N 2.98Å
152	K	98.2	Very high	97.8	Very high	113 Å²	113	69.9 Å²	69.9	49%	0.491	38%	0.38	S	S	.	.	S	Bend	trans	-100.4	159.1	174.3	-57.6	-169.5	-172.3	174.2	0	110.8	H148 C149 Q150 L154	H148-K152 VanDerWaalsContact O-CD 3.26Å; H148-K152 WeakPolarHBondContact O-CD 3.34Å; H148-K152 VanDerWaalsContact O-CE 3.26Å; H148-K152 WeakPolarHBondContact O-CE 3.36Å; H148-K152 PolarHBondContact O-NZ 3.31Å; C149-K152 PolarHBondContact O-N 3.48Å; Q150-K152 PolarHBondContact O-N 3.23Å; K152-L154 HydrophobicContact CB-CD2 4.04Å; K152-L154 PolarHBondContact O-N 3.46Å
153	D	98.1	Very high	97	Very high	121 Å²	121	75.2 Å²	75.2	65%	0.647	40%	0.404	S	S	*	.			trans	-71.4	124.1	161.4	-176.6	0.9	0	0	0	108.5	H155	D153-H155 IonicContact OD1-CG 3.63Å; D153-H155 PolarHBondContact OD1-N 3.17Å; D153-H155 IonicContact OD1-ND1 3.01Å; D153-H155 PolarHBondContact OD1-ND1 3.41Å; D153-H155 IonicContact OD2-CE1 3.51Å; D153-H155 IonicContact OD2-ND1 2.93Å; D153-H155 PolarHBondContact OD2-ND1 3.21Å
154	L	98.4	Very high	96.9	Very high	15 Å²	15	73.1 Å²	73.1	8%	0.079	40%	0.397	C	S	.	.			trans	-114.8	8.2	-175.5	-60.8	-176.8	0	0	0	112.3	A61 D62 C65 C149 K152 D156 W157	A61-L154 HydrophobicContact CB-CB 3.81Å; A61-L154 VanDerWaalsContact CB-O 3.31Å; A61-L154 WeakPolarHBondContact CB-O 3.21Å; D62-L154 HydrophobicContact CB-CD1 4.49Å; D62-L154 WeakPolarHBondContact OD1-CD1 3.49Å; C65-L154 HydrophobicContact CB-CD1 4.16Å; C65-L154 HydrophobicContact CB-CD2 4.19Å; C149-L154 HydrophobicContact CB-CD1 4.12Å; C149-L154 HydrophobicContact CB-CD2 4.39Å; K152-L154 HydrophobicContact CB-CD2 4.04Å; K152-L154 PolarHBondContact O-N 3.46Å; L154-D156 PolarHBondContact O-N 3.14Å; L154-D156 VanDerWaalsContact O-N 3.15Å; L154-W157 WeakPolarHBondContact O-CB 3.38Å; L154-W157 PolarHBondContact O-N 3.38Å
155	H	96.9	Very high	96.8	Very high	98 Å²	98	75.9 Å²	75.9	45%	0.454	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-55.7	-37.5	-174	79.3	-81.5	0	0	0	113.1	D153 W157 V158 D159	D153-H155 IonicContact OD1-CG 3.63Å; D153-H155 PolarHBondContact OD1-N 3.17Å; D153-H155 IonicContact OD1-ND1 3.01Å; D153-H155 PolarHBondContact OD1-ND1 3.41Å; D153-H155 IonicContact OD2-CE1 3.51Å; D153-H155 IonicContact OD2-ND1 2.93Å; D153-H155 PolarHBondContact OD2-ND1 3.21Å; H155-W157 PolarHBondContact O-N 3.5Å; H155-V158 WeakPolarHBondContact O-CG2 3.3Å; H155-V158 PolarHBondContact O-N 3.49Å; H155-D159 PolarHBondContact O-N 2.95Å
156	D	97.1	Very high	96.7	Very high	104 Å²	104	79.3 Å²	79.3	56%	0.556	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-54.8	-25	176.5	-70.9	-27	0	0	0	113.7	R40 L154 V158	R40-D156 PolarHBondContact NH1-O 3.13Å; L154-D156 PolarHBondContact O-N 3.14Å; L154-D156 VanDerWaalsContact O-N 3.15Å; D156-V158 PolarHBondContact O-N 3.1Å
157	W	98.4	Very high	96.6	Very high	46 Å²	46	79.1 Å²	79.1	17%	0.174	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-68.7	-23	179.1	-72.9	104	0	0	0	113.2	R40 A61 I64 C65 Y68 F69 F73 L154 H155	R40-W157 WeakPolarHBondContact CD-O 3.31Å; R40-W157 HydrophobicContact CG-CE3 4.47Å; R40-W157 WeakPolarHBondContact CG-O 3.38Å; R40-W157 PolarHBondContact NH1-O 3.24Å; A61-W157 HydrophobicContact CB-CB 4.07Å; I64-W157 HydrophobicContact CB-CB 4.23Å; I64-W157 HydrophobicContact CG2-CB 4.13Å; I64-W157 HydrophobicContact CG2-CD2 4.35Å; I64-W157 HydrophobicContact CG2-CE3 3.71Å; C65-W157 HydrophobicContact CB-CD2 4.12Å; C65-W157 HydrophobicContact CB-CG 4.09Å; C65-W157 HydrophobicContact CB-CZ2 4.43Å; Y68-W157 AromaticContact CD1-CH2 3.41Å; Y68-W157 HydrophobicContact CD1-CH2 3.41Å; Y68-W157 VanDerWaalsContact CD1-CH2 3.41Å; Y68-W157 HydrophobicContact CD1-CZ2 4.21Å; Y68-W157 HydrophobicContact CD1-CZ3 4.21Å; Y68-W157 AromaticContact CD2-CH2 3.99Å; Y68-W157 HydrophobicContact CD2-CH2 3.99Å; Y68-W157 AromaticContact CD2-CZ3 4Å; Y68-W157 HydrophobicContact CD2-CZ3 4Å; Y68-W157 HydrophobicContact CE1-CH2 4.03Å; Y68-W157 AromaticContact CG-CH2 3.35Å; Y68-W157 HydrophobicContact CG-CH2 3.35Å; Y68-W157 HydrophobicContact CG-CZ2 4.43Å; Y68-W157 AromaticContact CG-CZ3 3.69Å; Y68-W157 HydrophobicContact CG-CZ3 3.69Å; F69-W157 HydrophobicContact CD2-CZ2 4.45Å; F69-W157 HydrophobicContact CE2-CH2 4.39Å; F69-W157 AromaticContact CE2-CZ2 3.78Å; F69-W157 HydrophobicContact CE2-CZ2 3.78Å; F73-W157 HydrophobicContact CZ-CE3 4.39Å; F73-W157 AromaticContact CZ-CZ3 3.95Å; F73-W157 HydrophobicContact CZ-CZ3 3.95Å; L154-W157 WeakPolarHBondContact O-CB 3.38Å; L154-W157 PolarHBondContact O-N 3.38Å; H155-W157 PolarHBondContact O-N 3.5Å
158	V	98.2	Very high	96.5	Very high	36 Å²	36	77.1 Å²	77.1	22%	0.218	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-4	179	-64.3	0	0	0	0	113.2	A44 L60 A61 I64 H155 D156 G160 C161 F163	A44-V158 HydrophobicContact CB-CG1 4.49Å; L60-V158 HydrophobicContact CB-CG1 4.26Å; L60-V158 HydrophobicContact CD2-CG1 4.15Å; L60-V158 HydrophobicContact CG-CG1 4.11Å; A61-V158 HydrophobicContact CB-CG1 4.09Å; A61-V158 HydrophobicContact CB-CG2 4.16Å; I64-V158 HydrophobicContact CG1-CG1 4.49Å; H155-V158 WeakPolarHBondContact O-CG2 3.3Å; H155-V158 PolarHBondContact O-N 3.49Å; D156-V158 PolarHBondContact O-N 3.1Å; V158-G160 PolarHBondContact O-N 3.16Å; V158-C161 WeakPolarHBondContact O-CB 3.48Å; V158-C161 PolarHBondContact O-N 3.23Å; V158-C161 PolarHBondContact O-SG 3.38Å; V158-F163 HydrophobicContact CB-CZ 4.27Å
159	D	97.8	Very high	96.4	Very high	101 Å²	101	77 Å²	77	54%	0.54	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	137.8	176.8	-173.7	45.2	0	0	0	111.8	R40 H155 C161	R40-D159 VanDerWaalsContact CZ-O 3.28Å; R40-D159 PolarHBondContact NH1-O 3.2Å; R40-D159 PolarHBondContact NH2-O 3.2Å; H155-D159 PolarHBondContact O-N 2.95Å; D159-C161 PolarHBondContact O-N 3.24Å
160	G	97.3	Very high	96.2	Very high	64 Å²	64	82.5 Å²	82.5	66%	0.66	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	13.7	-178.2	0	0	0	0	0	116.2	V158	V158-G160 PolarHBondContact O-N 3.16Å
161	C	97.5	Very high	96	Very high	14 Å²	14	82.3 Å²	82.3	10%	0.095	47%	0.471	C	S	.	.			trans	-86.7	133.3	172.8	-61.2	0	0	0	0	111.8	R40 C41 V158 D159 F163	R40-C161 PolarHBondContact NH1-SG 3.34Å; C41-C161 WeakPolarHBondContact CA-SG 3.31Å; C41-C161 HydrophobicContact CB-CB 3.64Å; C41-C161 WeakPolarHBondContact CB-SG 3.05Å; C41-C161 WeakPolarHBondContact SG-CA 3.48Å; C41-C161 WeakPolarHBondContact SG-CB 3.36Å; C41-C161 CovalentContact SG-SG 2.05Å; C41-C161 PolarHBondContact SG-SG 3.45Å; V158-C161 WeakPolarHBondContact O-CB 3.48Å; V158-C161 PolarHBondContact O-N 3.23Å; V158-C161 PolarHBondContact O-SG 3.38Å; D159-C161 PolarHBondContact O-N 3.24Å; C161-F163 HydrophobicContact CB-CE1 4.15Å; C161-F163 HydrophobicContact CB-CE2 4.02Å; C161-F163 HydrophobicContact CB-CZ 3.69Å; C161-F163 WeakPolarHBondContact O-CD2 3.47Å; C161-F163 WeakPolarHBondContact O-CE2 3.42Å
162	D	91.3	Very high	95.9	Very high	140 Å²	140	82 Å²	82	75%	0.749	44%	0.437	S	S	*	.			trans	-88.1	129.3	171.1	-60.2	-43	0	0	0	109.9
163	F	81.1	Confident	95.7	Very high	132 Å²	132	79.2 Å²	79.2	58%	0.579	43%	0.432	S	S	*	.			trans	-114	0	-177.7	-60	-70.3	0	0	0	112.1	A44 Q48 L60 V158 C161	A44-F163 HydrophobicContact CB-CE1 3.83Å; A44-F163 HydrophobicContact CB-CZ 4.31Å; Q48-F163 HydrophobicContact CB-CD1 4.49Å; Q48-F163 VanDerWaalsContact OE1-CG 3.24Å; L60-F163 HydrophobicContact CD2-CD1 4.47Å; L60-F163 HydrophobicContact CD2-CE1 3.52Å; L60-F163 HydrophobicContact CD2-CZ 3.82Å; V158-F163 HydrophobicContact CB-CZ 4.27Å; C161-F163 HydrophobicContact CB-CE1 4.15Å; C161-F163 HydrophobicContact CB-CE2 4.02Å; C161-F163 HydrophobicContact CB-CZ 3.69Å; C161-F163 WeakPolarHBondContact O-CD2 3.47Å; C161-F163 WeakPolarHBondContact O-CE2 3.42Å

Retrieved 163 of 163 residues in 98.7 ms (Link to these results)

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