A0A096M585_POEFO Loading...

Asialoglycoprotein receptor-like 2

AlphaFold DB , UniProt , Accession A0A096M585, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 148 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	V	35.5	Very low	48.9	Very low	200 Å²	200	127.3 Å²	127.3	100%	1.212	80%	0.802	S	S	*	*				0	113.1	0	-173.8	0	0	0	0	107.1
2	L	38.7	Very low	49.7	Very low	165 Å²	165	128.5 Å²	128.5	86%	0.864	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-59.6	128.7	-164.8	-71.5	130.3	0	0	0	112.7
3	M	43.9	Very low	50.6	Low	140 Å²	140	120.5 Å²	120.5	69%	0.69	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-71.1	124.7	165.1	-67.1	-178.1	177.9	0	0	108	L5	M3-L5 PolarHBondContact O-N 3.45Å
4	S	49.4	Very low	52	Low	123 Å²	123	114.7 Å²	114.7	86%	0.86	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-55	133.1	-178.8	-79.5	0	0	0	0	112.6
5	L	51.8	Low	54.2	Low	145 Å²	145	110.2 Å²	110.2	76%	0.759	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-84.6	143.7	-174.9	-66.6	148.8	0	0	0	111.2	M3	M3-L5 PolarHBondContact O-N 3.45Å
6	C	56.3	Low	56.6	Low	64 Å²	64	105.6 Å²	105.6	43%	0.432	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-58.7	129.2	152.1	-52.4	0	0	0	0	107.9
7	V	55.5	Low	58.7	Low	134 Å²	134	101.6 Å²	101.6	81%	0.812	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-79.8	134.8	-178.7	-176.2	0	0	0	0	110.1
8	P	45.1	Very low	60.5	Low	126 Å²	126	101.8 Å²	101.8	82%	0.818	65%	0.65	S	S	*	*	S	Bend	trans	-75.2	127.9	-176.7	-3.1	20	0	0	0	110.9
9	G	52	Low	62.1	Low	78 Å²	78	104 Å²	104	80%	0.804	66%	0.656	S	S	*	*	S	Bend	trans	170.5	-26.5	168.7	0	0	0	0	0	119.4
10	S	56.3	Low	63.8	Low	114 Å²	114	100.4 Å²	100.4	80%	0.797	63%	0.629	S	S	*	*	S	Bend	trans	-164.2	113.3	173.6	-155.4	0	0	0	0	113.2
11	S	53	Low	65.4	Low	111 Å²	111	98 Å²	98	78%	0.776	61%	0.614	S	S	*	*			trans	67.3	121.7	-179.8	75.1	0	0	0	0	116.5	G13	S11-G13 PolarHBondContact O-N 3.07Å
12	T	59.1	Low	68.2	Low	142 Å²	142	94.4 Å²	94.4	87%	0.871	58%	0.579	S	S	*	*			trans	-68.5	67.3	169	49.1	0	0	0	0	109.8
13	G	60.7	Low	70.9	Confident	24 Å²	24	89.6 Å²	89.6	25%	0.247	55%	0.551	C	S	.	*			trans	-95.2	147.2	-178.2	0	0	0	0	0	111.7	S11 C15	S11-G13 PolarHBondContact O-N 3.07Å; G13-C15 PolarHBondContact O-N 3.29Å; G13-C15 PolarHBondContact O-SG 3.23Å
14	P	70.9	Confident	73.3	Confident	40 Å²	40	85.3 Å²	85.3	26%	0.26	54%	0.542	S	S	.	.			trans	-60.6	131.5	175.9	-15.7	26.5	0	0	0	111.4	R22 S146	P14-R22 VanDerWaalsContact O-CD 3.22Å; P14-R22 WeakPolarHBondContact O-CD 3Å; P14-R22 PolarHBondContact O-NE 3.33Å; P14-S146 WeakPolarHBondContact CB-OG 3.37Å
15	C	85.1	Confident	75.4	Confident	47 Å²	47	83.3 Å²	83.3	32%	0.318	53%	0.529	S	S	.	.	B	Isolated β-bridge	trans	-115.4	155.8	-173.1	-70.7	0	0	0	0	112.5	G13 S146 T147	G13-C15 PolarHBondContact O-N 3.29Å; G13-C15 PolarHBondContact O-SG 3.23Å; C15-S146 WeakPolarHBondContact O-CA 3.49Å; C15-S146 WeakPolarHBondContact O-CB 3.36Å; C15-T147 PolarHBondContact N-O 2.82Å; C15-T147 PolarHBondContact O-N 3.4Å; C15-T147 PolarHBondContact O-OG1 3.22Å
16	C	92.8	Very high	77.5	Confident	36 Å²	36	78 Å²	78	24%	0.243	50%	0.501	C	S	.	.			trans	-121.4	150.4	176.7	-68.6	0	0	0	0	111.7	W20 R22 C27	C16-W20 HydrophobicContact CB-CB 4.01Å; C16-R22 VanDerWaalsContact SG-CA 3.58Å; C16-R22 WeakPolarHBondContact SG-CB 3.31Å; C16-C27 WeakPolarHBondContact CA-SG 3.45Å; C16-C27 HydrophobicContact CB-CB 3.77Å; C16-C27 WeakPolarHBondContact CB-SG 3.46Å; C16-C27 WeakPolarHBondContact SG-CA 3.42Å; C16-C27 WeakPolarHBondContact SG-CB 3.45Å; C16-C27 CovalentContact SG-SG 2.02Å; C16-C27 PolarHBondContact SG-SG 2.99Å
17	P	91.6	Very high	79.5	Confident	39 Å²	39	75 Å²	75	25%	0.253	48%	0.48	S	S	.	.			trans	-60.3	160	173.9	-19.1	30.7	0	0	0	112.2	D19 W20	P17-D19 PolarHBondContact O-N 2.84Å; P17-W20 HydrophobicContact CB-CG 4.21Å; P17-W20 HydrophobicContact CG-CG 4.24Å; P17-W20 WeakPolarHBondContact O-CB 3.39Å; P17-W20 PolarHBondContact O-N 3.48Å
18	P	90.6	Very high	81.5	Confident	104 Å²	104	68.8 Å²	68.8	68%	0.675	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.2	139.5	170.8	-25.1	34.2	0	0	0	111.5	W20	P18-W20 VanDerWaalsContact O-CD1 3.28Å; P18-W20 PolarHBondContact O-N 2.93Å
19	D	91.8	Very high	84.1	Confident	144 Å²	144	64.4 Å²	64.4	77%	0.77	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	5.9	-176.4	-47.6	-46.9	0	0	0	115.9	P17 F29	P17-D19 PolarHBondContact O-N 2.84Å; D19-F29 HydrophobicContact CB-CE2 4.38Å
20	W	96.8	Very high	86.3	Confident	31 Å²	31	62.4 Å²	62.4	12%	0.117	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-102.2	136.3	170.9	-64.5	59.7	0	0	0	110	C16 P17 P18 C27 Y28 F29 K47 A49 C142 R144	C16-W20 HydrophobicContact CB-CB 4.01Å; P17-W20 HydrophobicContact CB-CG 4.21Å; P17-W20 HydrophobicContact CG-CG 4.24Å; P17-W20 WeakPolarHBondContact O-CB 3.39Å; P17-W20 PolarHBondContact O-N 3.48Å; P18-W20 VanDerWaalsContact O-CD1 3.28Å; P18-W20 PolarHBondContact O-N 2.93Å; W20-C27 HydrophobicContact CB-CB 4.1Å; W20-C27 HydrophobicContact CD2-CB 4.39Å; W20-C27 HydrophobicContact CE3-CB 3.76Å; W20-Y28 CarbonylContact C-O 3.59Å; W20-Y28 WeakPolarHBondContact CA-O 3.37Å; W20-F29 HydrophobicContact CD2-CB 3.63Å; W20-F29 HydrophobicContact CE3-CB 3.74Å; W20-F29 HydrophobicContact CG-CB 4.23Å; W20-F29 HydrophobicContact CH2-CB 3.79Å; W20-F29 HydrophobicContact CZ2-CB 3.68Å; W20-F29 HydrophobicContact CZ2-CG 4.28Å; W20-F29 HydrophobicContact CZ3-CB 3.81Å; W20-F29 AromaticContact NE1-CD2 3.98Å; W20-K47 HydrophobicContact CZ2-CB 4.03Å; W20-A49 HydrophobicContact CH2-CB 3.48Å; W20-A49 VanDerWaalsContact CH2-CB 3.48Å; W20-A49 HydrophobicContact CZ2-CB 4.49Å; W20-A49 HydrophobicContact CZ3-CB 4.08Å; W20-C142 HydrophobicContact CH2-CB 3.55Å; W20-C142 HydrophobicContact CZ2-CB 4.48Å; W20-C142 HydrophobicContact CZ3-CB 3.95Å; W20-R144 HydrophobicContact CE3-CG 3.86Å; W20-R144 HydrophobicContact CH2-CG 4.14Å; W20-R144 HydrophobicContact CZ3-CB 4.33Å; W20-R144 HydrophobicContact CZ3-CG 3.56Å
21	T	95.8	Very high	88.3	Confident	52 Å²	52	57 Å²	57	32%	0.319	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	127.7	175.7	-56.9	0	0	0	0	109.4	Y28 F62	T21-Y28 PolarHBondContact N-O 2.69Å; T21-Y28 PolarHBondContact O-N 2.84Å; T21-F62 HydrophobicContact CG2-CE2 3.89Å; T21-F62 HydrophobicContact CG2-CZ 3.71Å
22	R	95.4	Very high	90.5	Very high	124 Å²	124	60 Å²	60	47%	0.468	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	136.6	173.7	-169.8	172.7	166.9	-113.3	-8.4	111.1	P14 C16 G24 D26	P14-R22 VanDerWaalsContact O-CD 3.22Å; P14-R22 WeakPolarHBondContact O-CD 3Å; P14-R22 PolarHBondContact O-NE 3.33Å; C16-R22 VanDerWaalsContact SG-CA 3.58Å; C16-R22 WeakPolarHBondContact SG-CB 3.31Å; R22-G24 VanDerWaalsContact CZ-O 3.3Å; R22-G24 PolarHBondContact NE-O 2.76Å; R22-G24 PolarHBondContact NH2-O 3.36Å; R22-D26 WeakPolarHBondContact CA-O 2.98Å
23	F	95.7	Very high	92.3	Very high	64 Å²	64	57.5 Å²	57.5	28%	0.281	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	125.9	164.9	-179.9	-99.7	0	0	0	109.2	S25 D26 Y28 Q58 E59 F62	F23-S25 PolarHBondContact O-N 3.46Å; F23-D26 PolarHBondContact N-O 2.02Å; F23-D26 PolarHBondContact O-N 3.33Å; F23-D26 VanDerWaalsContact O-N 3.07Å; F23-Y28 HydrophobicContact CB-CD2 4.06Å; F23-Y28 HydrophobicContact CB-CE2 3.72Å; F23-Y28 HydrophobicContact CD1-CE2 4.37Å; F23-Q58 HydrophobicContact CE1-CB 4.45Å; F23-Q58 HydrophobicContact CZ-CB 4.08Å; F23-Q58 WeakPolarHBondContact CZ-O 3.26Å; F23-E59 HydrophobicContact CE1-CB 4.39Å; F23-F62 HydrophobicContact CB-CD1 3.63Å; F23-F62 HydrophobicContact CB-CD2 3.92Å; F23-F62 HydrophobicContact CB-CE1 3.55Å; F23-F62 HydrophobicContact CB-CE2 3.81Å; F23-F62 HydrophobicContact CB-CG 3.84Å; F23-F62 HydrophobicContact CB-CZ 3.64Å; F23-F62 HydrophobicContact CD1-CB 3.98Å; F23-F62 AromaticContact CD1-CD1 3.83Å; F23-F62 HydrophobicContact CD1-CD1 3.83Å; F23-F62 AromaticContact CD1-CG 3.88Å; F23-F62 HydrophobicContact CD1-CG 3.88Å; F23-F62 HydrophobicContact CD2-CB 3.76Å; F23-F62 HydrophobicContact CD2-CD1 4.16Å; F23-F62 AromaticContact CD2-CD2 3.49Å; F23-F62 HydrophobicContact CD2-CD2 3.49Å; F23-F62 VanDerWaalsContact CD2-CD2 3.49Å; F23-F62 HydrophobicContact CD2-CE2 4.14Å; F23-F62 AromaticContact CD2-CG 3.51Å; F23-F62 HydrophobicContact CD2-CG 3.51Å; F23-F62 HydrophobicContact CE1-CB 3.89Å; F23-F62 HydrophobicContact CE1-CG 4.31Å; F23-F62 HydrophobicContact CE2-CB 3.66Å; F23-F62 HydrophobicContact CE2-CD2 4.15Å; F23-F62 AromaticContact CE2-CG 3.98Å; F23-F62 HydrophobicContact CE2-CG 3.98Å; F23-F62 HydrophobicContact CG-CB 3.91Å; F23-F62 AromaticContact CG-CD1 3.61Å; F23-F62 HydrophobicContact CG-CD1 3.61Å; F23-F62 AromaticContact CG-CD2 3.77Å; F23-F62 HydrophobicContact CG-CD2 3.77Å; F23-F62 HydrophobicContact CG-CE1 4.07Å; F23-F62 HydrophobicContact CG-CE2 4.2Å; F23-F62 AromaticContact CG-CG 3.45Å; F23-F62 HydrophobicContact CG-CG 3.45Å; F23-F62 VanDerWaalsContact CG-CG 3.45Å; F23-F62 HydrophobicContact CG-CZ 4.34Å; F23-F62 HydrophobicContact CZ-CB 3.72Å; F23-F62 HydrophobicContact CZ-CG 4.34Å
24	G	93.1	Very high	94.1	Very high	49 Å²	49	61.8 Å²	61.8	51%	0.505	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	-124.7	-172.8	0	0	0	0	0	112.6	R22	R22-G24 VanDerWaalsContact CZ-O 3.3Å; R22-G24 PolarHBondContact NE-O 2.76Å; R22-G24 PolarHBondContact NH2-O 3.36Å
25	S	93.3	Very high	95.5	Very high	82 Å²	82	61.6 Å²	61.6	57%	0.573	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	2.8	178	51.3	0	0	0	0	113.8	F23 S146	F23-S25 PolarHBondContact O-N 3.46Å; S25-S146 VanDerWaalsContact C-OG 3.25Å; S25-S146 WeakPolarHBondContact O-CB 3.4Å; S25-S146 PolarHBondContact O-N 2.99Å; S25-S146 PolarHBondContact O-OG 3.4Å
26	D	96.3	Very high	96.1	Very high	33 Å²	33	61.2 Å²	61.2	18%	0.176	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	163.9	-171.9	-66.5	-38.7	0	0	0	112.9	R22 F23 Y28 Q143 R144 P145	R22-D26 WeakPolarHBondContact CA-O 2.98Å; F23-D26 PolarHBondContact N-O 2.02Å; F23-D26 PolarHBondContact O-N 3.33Å; F23-D26 VanDerWaalsContact O-N 3.07Å; D26-Y28 HydrophobicContact CB-CD2 4.42Å; D26-Y28 HydrophobicContact CB-CE2 3.6Å; D26-Q143 HydrophobicContact CB-CG 4.12Å; D26-Q143 PolarHBondContact OD2-NE2 2.61Å; D26-R144 CarbonylContact C-O 3.56Å; D26-R144 WeakPolarHBondContact CA-O 3.47Å; D26-P145 WeakPolarHBondContact OD1-CA 3.22Å
27	C	97.8	Very high	96.4	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.5	174.3	-57.9	0	0	0	0	109	C16 W20 Q143 R144 S146	C16-C27 WeakPolarHBondContact CA-SG 3.45Å; C16-C27 HydrophobicContact CB-CB 3.77Å; C16-C27 WeakPolarHBondContact CB-SG 3.46Å; C16-C27 WeakPolarHBondContact SG-CA 3.42Å; C16-C27 WeakPolarHBondContact SG-CB 3.45Å; C16-C27 CovalentContact SG-SG 2.02Å; C16-C27 PolarHBondContact SG-SG 2.99Å; W20-C27 HydrophobicContact CB-CB 4.1Å; W20-C27 HydrophobicContact CD2-CB 4.39Å; W20-C27 HydrophobicContact CE3-CB 3.76Å; C27-Q143 WeakPolarHBondContact O-CA 3.11Å; C27-R144 HydrophobicContact CB-CG 3.92Å; C27-R144 PolarHBondContact N-O 2.87Å; C27-R144 PolarHBondContact O-N 2.87Å; C27-S146 VanDerWaalsContact SG-CA 3.51Å
28	Y	98.6	Very high	96.7	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.016	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.3	-177.2	-59.2	-101.9	0	0	0	110.7	W20 T21 F23 D26 V52 E59 F62 V63 C142 Q143	W20-Y28 CarbonylContact C-O 3.59Å; W20-Y28 WeakPolarHBondContact CA-O 3.37Å; T21-Y28 PolarHBondContact N-O 2.69Å; T21-Y28 PolarHBondContact O-N 2.84Å; F23-Y28 HydrophobicContact CB-CD2 4.06Å; F23-Y28 HydrophobicContact CB-CE2 3.72Å; F23-Y28 HydrophobicContact CD1-CE2 4.37Å; D26-Y28 HydrophobicContact CB-CD2 4.42Å; D26-Y28 HydrophobicContact CB-CE2 3.6Å; Y28-V52 HydrophobicContact CD1-CG2 3.92Å; Y28-V52 HydrophobicContact CE1-CG2 3.73Å; Y28-E59 HydrophobicContact CE1-CG 4.34Å; Y28-E59 PolarHBondContact OH-OE1 2.71Å; Y28-F62 HydrophobicContact CD1-CE1 4.21Å; Y28-F62 HydrophobicContact CD2-CD1 4.38Å; Y28-F62 AromaticContact CD2-CE1 3.53Å; Y28-F62 HydrophobicContact CD2-CE1 3.53Å; Y28-F62 HydrophobicContact CD2-CZ 4.21Å; Y28-F62 HydrophobicContact CE2-CD1 4.43Å; Y28-F62 AromaticContact CE2-CE1 3.99Å; Y28-F62 HydrophobicContact CE2-CE1 3.99Å; Y28-F62 AromaticContact CG-CE1 3.67Å; Y28-F62 HydrophobicContact CG-CE1 3.67Å; Y28-F62 HydrophobicContact CG-CZ 4.48Å; Y28-V63 HydrophobicContact CD1-CG2 4.15Å; Y28-V63 HydrophobicContact CE1-CG2 4.15Å; Y28-C142 CarbonylContact C-O 3.56Å; Y28-C142 VanDerWaalsContact CA-O 3.27Å; Y28-C142 WeakPolarHBondContact CA-O 3.44Å; Y28-Q143 HydrophobicContact CD1-CB 4.27Å; Y28-Q143 HydrophobicContact CD1-CG 4.31Å; Y28-Q143 HydrophobicContact CE1-CB 4.26Å; Y28-Q143 HydrophobicContact CE1-CG 3.89Å; Y28-Q143 PolarHBondContact OH-NE2 3.23Å
29	F	98.7	Very high	97.1	Very high	35 Å²	35	62.2 Å²	62.2	15%	0.154	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.7	174	176.4	-96	0	0	0	109.7	D19 W20 W43 F140 I141 C142	D19-F29 HydrophobicContact CB-CE2 4.38Å; W20-F29 HydrophobicContact CD2-CB 3.63Å; W20-F29 HydrophobicContact CE3-CB 3.74Å; W20-F29 HydrophobicContact CG-CB 4.23Å; W20-F29 HydrophobicContact CH2-CB 3.79Å; W20-F29 HydrophobicContact CZ2-CB 3.68Å; W20-F29 HydrophobicContact CZ2-CG 4.28Å; W20-F29 HydrophobicContact CZ3-CB 3.81Å; W20-F29 AromaticContact NE1-CD2 3.98Å; F29-W43 AromaticContact CD1-CH2 3.58Å; F29-W43 HydrophobicContact CD1-CH2 3.58Å; F29-W43 AromaticContact CD1-CZ3 3.51Å; F29-W43 HydrophobicContact CD1-CZ3 3.51Å; F29-W43 HydrophobicContact CD2-CH2 4.43Å; F29-W43 HydrophobicContact CE1-CE3 4.48Å; F29-W43 AromaticContact CE1-CH2 3.21Å; F29-W43 HydrophobicContact CE1-CH2 3.21Å; F29-W43 AromaticContact CE1-CZ2 3.92Å; F29-W43 HydrophobicContact CE1-CZ2 3.92Å; F29-W43 AromaticContact CE1-CZ3 3.56Å; F29-W43 HydrophobicContact CE1-CZ3 3.56Å; F29-W43 HydrophobicContact CE2-CH2 4.14Å; F29-W43 HydrophobicContact CG-CH2 4.18Å; F29-W43 HydrophobicContact CG-CZ3 4.22Å; F29-W43 AromaticContact CZ-CH2 3.54Å; F29-W43 HydrophobicContact CZ-CH2 3.54Å; F29-W43 HydrophobicContact CZ-CZ2 4.07Å; F29-W43 HydrophobicContact CZ-CZ3 4.31Å; F29-F140 HydrophobicContact CD1-CE2 4.45Å; F29-F140 HydrophobicContact CE1-CE2 4.34Å; F29-I141 CarbonylContact O-C 3.45Å; F29-I141 VanDerWaalsContact O-CA 3.25Å; F29-I141 WeakPolarHBondContact O-CA 3.12Å; F29-C142 HydrophobicContact CB-CB 4.2Å; F29-C142 PolarHBondContact N-O 3.18Å; F29-C142 PolarHBondContact O-N 2.92Å
30	F	98.8	Very high	97.5	Very high	36 Å²	36	55.4 Å²	55.4	16%	0.158	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	110.3	177.1	-64.4	-101.7	0	0	0	108.2	F62 V63 K66 Y72 I141	F30-F62 HydrophobicContact CE2-CE1 4.44Å; F30-F62 HydrophobicContact CE2-CZ 4.42Å; F30-F62 HydrophobicContact CZ-CE1 4.33Å; F30-V63 HydrophobicContact CE1-CG1 4.34Å; F30-K66 HydrophobicContact CD1-CB 4.19Å; F30-K66 HydrophobicContact CE1-CB 3.55Å; F30-K66 HydrophobicContact CE2-CB 4.14Å; F30-K66 HydrophobicContact CE2-CG 4.44Å; F30-K66 HydrophobicContact CZ-CB 3.53Å; F30-K66 HydrophobicContact CZ-CG 4.12Å; F30-Y72 HydrophobicContact CB-CE1 4.17Å; F30-Y72 HydrophobicContact CD1-CE1 4.39Å; F30-I141 HydrophobicContact CD1-CD1 3.82Å; F30-I141 HydrophobicContact CD1-CG1 3.81Å; F30-I141 HydrophobicContact CD1-CG2 4.34Å; F30-I141 HydrophobicContact CE1-CD1 3.65Å; F30-I141 HydrophobicContact CE1-CG1 4.08Å; F30-I141 HydrophobicContact CE1-CG2 4.21Å; F30-I141 HydrophobicContact CZ-CG2 4.37Å
31	S	98.8	Very high	97.6	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.007	29%	0.293	C	S	.	.			trans	-66.8	148.8	-175.8	82.8	0	0	0	0	112.2	Q33 Y72 R139 F140	S31-Q33 PolarHBondContact OG-O 3.27Å; S31-Y72 PolarHBondContact O-OH 2.73Å; S31-R139 WeakPolarHBondContact O-CD 3.4Å; S31-R139 WeakPolarHBondContact OG-CA 3.33Å; S31-R139 WeakPolarHBondContact OG-CB 3.37Å; S31-F140 WeakPolarHBondContact CB-O 3.18Å; S31-F140 PolarHBondContact N-O 2.97Å; S31-F140 WeakPolarHBondContact OG-CD1 3.33Å; S31-F140 PolarHBondContact OG-N 3.46Å; S31-F140 PolarHBondContact OG-O 3.13Å
32	Q	98.2	Very high	97.7	Very high	173 Å²	173	58 Å²	58	81%	0.808	29%	0.294	S	S	*	.	S	Bend	trans	-91.6	-36	165.7	-64.8	-176.1	-0.9	0	0	111.9	R139	Q32-R139 PolarHBondContact O-NE 3.25Å
33	Q	98.2	Very high	97.9	Very high	90 Å²	90	54.1 Å²	54.1	42%	0.421	28%	0.279	S	S	.	.	S	Bend	trans	-73.4	158.9	176.2	69.6	-178	-2.6	0	0	112.1	S31 W43 F140	S31-Q33 PolarHBondContact OG-O 3.27Å; Q33-W43 VanDerWaalsContact NE2-CD1 3.31Å; Q33-W43 VanDerWaalsContact NE2-NE1 3.15Å; Q33-F140 HydrophobicContact CG-CE1 3.88Å; Q33-F140 HydrophobicContact CG-CZ 4.31Å
34	Q	98.8	Very high	98	Very high	113 Å²	113	51 Å²	51	53%	0.528	27%	0.266	S	S	.	.			trans	-112.8	132.3	177.5	-63.6	179.9	92.8	0	0	109.9	G137 L138 R139	Q34-G137 PolarHBondContact OE1-O 2.72Å; Q34-L138 CarbonylContact C-O 3.52Å; Q34-L138 WeakPolarHBondContact CA-O 3.36Å; Q34-R139 HydrophobicContact CG-CG 3.94Å
35	L	98.9	Very high	98.3	Very high	36 Å²	36	52.9 Å²	52.9	19%	0.188	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-140	161.5	179.9	-68.4	178.8	0	0	0	108.9	Q39 S40 W43 W73 L138 F140	L35-Q39 HydrophobicContact CB-CB 3.94Å; L35-Q39 HydrophobicContact CD1-CB 4.25Å; L35-Q39 HydrophobicContact CD2-CB 4.42Å; L35-Q39 HydrophobicContact CG-CB 4.44Å; L35-S40 WeakPolarHBondContact CB-OG 3.41Å; L35-W43 HydrophobicContact CD1-CB 4.36Å; L35-W73 PolarHBondContact O-NE1 2.85Å; L35-L138 PolarHBondContact N-O 3.13Å; L35-L138 PolarHBondContact O-N 3.34Å; L35-L138 VanDerWaalsContact O-O 3.09Å; L35-F140 HydrophobicContact CB-CD1 4.39Å; L35-F140 HydrophobicContact CB-CE1 4.3Å; L35-F140 HydrophobicContact CD1-CD1 4.49Å; L35-F140 HydrophobicContact CD1-CE1 3.68Å; L35-F140 HydrophobicContact CD1-CZ 4.22Å; L35-F140 HydrophobicContact CG-CE1 4.08Å
36	N	98.8	Very high	98.5	Very high	39 Å²	39	57 Å²	57	21%	0.209	26%	0.264	C	S	.	.			trans	-69.4	167.9	168.4	73.9	37.3	0	0	0	111.3	N38 Q39 S40 C134 T136	N36-N38 PolarHBondContact O-N 3.45Å; N36-N38 PolarHBondContact OD1-N 3.28Å; N36-Q39 VanDerWaalsContact ND2-CD 3.28Å; N36-Q39 PolarHBondContact ND2-OE1 2.88Å; N36-Q39 PolarHBondContact O-N 3.01Å; N36-Q39 VanDerWaalsContact OD1-CB 3.28Å; N36-Q39 WeakPolarHBondContact OD1-CB 3.35Å; N36-Q39 WeakPolarHBondContact OD1-CG 3.35Å; N36-Q39 PolarHBondContact OD1-N 3.23Å; N36-S40 WeakPolarHBondContact O-CB 3.5Å; N36-S40 PolarHBondContact O-N 3.49Å; N36-S40 PolarHBondContact O-OG 2.95Å; N36-C134 WeakPolarHBondContact CB-O 3.45Å; N36-T136 WeakPolarHBondContact CA-O 3.46Å
37	W	98.8	Very high	98.6	Very high	7 Å²	7	60.2 Å²	60.2	3%	0.027	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-45.3	-172.2	-171.7	95.4	0	0	0	112.3	S40 R41 L51 W73 V74 T77 V87 C120 C134	W37-S40 WeakPolarHBondContact O-CB 3.37Å; W37-S40 PolarHBondContact O-N 3.3Å; W37-R41 HydrophobicContact CZ3-CB 4.49Å; W37-R41 PolarHBondContact O-N 2.91Å; W37-L51 HydrophobicContact CD2-CD1 4.12Å; W37-L51 HydrophobicContact CG-CD1 4.43Å; W37-L51 HydrophobicContact CZ2-CD1 3.97Å; W37-W73 HydrophobicContact CB-CD2 4.16Å; W37-W73 HydrophobicContact CB-CE3 4.49Å; W37-W73 HydrophobicContact CB-CH2 4.43Å; W37-W73 HydrophobicContact CB-CZ2 4.13Å; W37-W73 AromaticContact CD1-CD2 3.78Å; W37-W73 AromaticContact CD1-CE3 3.62Å; W37-W73 HydrophobicContact CG-CD2 4.39Å; W37-W73 HydrophobicContact CG-CE3 4.46Å; W37-V74 PolarHBondContact NE1-O 3.07Å; W37-T77 HydrophobicContact CH2-CG2 3.7Å; W37-T77 HydrophobicContact CZ2-CG2 3.81Å; W37-V87 HydrophobicContact CH2-CG1 3.69Å; W37-V87 HydrophobicContact CZ2-CG1 3.63Å; W37-C120 HydrophobicContact CB-CB 4.1Å; W37-C120 VanDerWaalsContact CB-SG 3.57Å; W37-C120 HydrophobicContact CG-CB 3.88Å; W37-C134 HydrophobicContact CB-CB 4.3Å; W37-C134 PolarHBondContact N-O 2.84Å
38	N	98.6	Very high	98.5	Very high	97 Å²	97	68.6 Å²	68.6	52%	0.519	31%	0.308	S	S	.	.	H	α-helix	trans	-64.8	-43.7	178.9	-77.3	-33.7	0	0	0	112.6	N36 S40 R41 S42	N36-N38 PolarHBondContact O-N 3.45Å; N36-N38 PolarHBondContact OD1-N 3.28Å; N38-S40 VanDerWaalsContact C-N 3.3Å; N38-S40 PolarHBondContact O-N 2.86Å; N38-R41 WeakPolarHBondContact O-CB 3.46Å; N38-R41 PolarHBondContact O-N 3.23Å; N38-S42 PolarHBondContact O-N 2.89Å; N38-S42 PolarHBondContact O-OG 2.76Å
39	Q	98.9	Very high	98.5	Very high	97 Å²	97	68.9 Å²	68.9	45%	0.453	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-38.1	175.9	-74.4	171.6	-17.2	0	0	111.7	L35 N36 W43	L35-Q39 HydrophobicContact CB-CB 3.94Å; L35-Q39 HydrophobicContact CD1-CB 4.25Å; L35-Q39 HydrophobicContact CD2-CB 4.42Å; L35-Q39 HydrophobicContact CG-CB 4.44Å; N36-Q39 VanDerWaalsContact ND2-CD 3.28Å; N36-Q39 PolarHBondContact ND2-OE1 2.88Å; N36-Q39 PolarHBondContact O-N 3.01Å; N36-Q39 VanDerWaalsContact OD1-CB 3.28Å; N36-Q39 WeakPolarHBondContact OD1-CB 3.35Å; N36-Q39 WeakPolarHBondContact OD1-CG 3.35Å; N36-Q39 PolarHBondContact OD1-N 3.23Å; Q39-W43 WeakPolarHBondContact O-CB 3.43Å; Q39-W43 PolarHBondContact O-N 2.67Å
40	S	98.9	Very high	98.5	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-46.5	176	-58.2	0	0	0	0	111.3	L35 N36 W37 N38 W43 C44 F140	L35-S40 WeakPolarHBondContact CB-OG 3.41Å; N36-S40 WeakPolarHBondContact O-CB 3.5Å; N36-S40 PolarHBondContact O-N 3.49Å; N36-S40 PolarHBondContact O-OG 2.95Å; W37-S40 WeakPolarHBondContact O-CB 3.37Å; W37-S40 PolarHBondContact O-N 3.3Å; N38-S40 VanDerWaalsContact C-N 3.3Å; N38-S40 PolarHBondContact O-N 2.86Å; S40-W43 WeakPolarHBondContact O-CB 3.47Å; S40-W43 PolarHBondContact O-N 2.81Å; S40-W43 VanDerWaalsContact O-N 3.14Å; S40-C44 PolarHBondContact O-N 3.38Å; S40-C44 PolarHBondContact O-SG 3.1Å; S40-F140 VanDerWaalsContact OG-CD1 3.31Å; S40-F140 WeakPolarHBondContact OG-CD1 3.42Å
41	R	98.8	Very high	98.5	Very high	90 Å²	90	68.4 Å²	68.4	34%	0.34	31%	0.31	S	S	.	.	H	α-helix	trans	-54.6	-54.4	172.8	177.5	-178.6	172.1	169.7	3.1	111.6	W37 N38 W43 C44 E45 L51	W37-R41 HydrophobicContact CZ3-CB 4.49Å; W37-R41 PolarHBondContact O-N 2.91Å; N38-R41 WeakPolarHBondContact O-CB 3.46Å; N38-R41 PolarHBondContact O-N 3.23Å; R41-W43 PolarHBondContact O-N 2.86Å; R41-C44 PolarHBondContact O-N 3.4Å; R41-C44 VanDerWaalsContact O-N 3.11Å; R41-E45 HydrophobicContact CG-CG 4.5Å; R41-E45 WeakPolarHBondContact CG-OE1 3.33Å; R41-E45 IonicContact CZ-OE1 3.59Å; R41-E45 IonicContact NE-OE1 3.05Å; R41-E45 PolarHBondContact NE-OE1 3.5Å; R41-E45 IonicContact NH2-OE1 2.84Å; R41-E45 WeakPolarHBondContact O-CG 3.34Å; R41-E45 PolarHBondContact O-N 3.35Å; R41-L51 HydrophobicContact CB-CD1 3.84Å; R41-L51 HydrophobicContact CB-CG 4.31Å
42	S	98.9	Very high	98.5	Very high	48 Å²	48	68.4 Å²	68.4	34%	0.336	31%	0.31	S	S	.	.	H	α-helix	trans	-62	-29.9	178.5	-60.4	0	0	0	0	112.8	N38 R46	N38-S42 PolarHBondContact O-N 2.89Å; N38-S42 PolarHBondContact O-OG 2.76Å; S42-R46 WeakPolarHBondContact O-CG 3.2Å; S42-R46 PolarHBondContact O-N 3.46Å; S42-R46 VanDerWaalsContact O-N 3.1Å; S42-R46 PolarHBondContact O-NH1 3Å
43	W	98.8	Very high	98.5	Very high	42 Å²	42	60.3 Å²	60.3	16%	0.159	27%	0.272	C	S	.	.	H	α-helix	trans	-65.2	-47.3	173.7	-167.6	106.3	0	0	0	111.6	F29 Q33 L35 Q39 S40 R41 E45 R46 K47 F140 C142	F29-W43 AromaticContact CD1-CH2 3.58Å; F29-W43 HydrophobicContact CD1-CH2 3.58Å; F29-W43 AromaticContact CD1-CZ3 3.51Å; F29-W43 HydrophobicContact CD1-CZ3 3.51Å; F29-W43 HydrophobicContact CD2-CH2 4.43Å; F29-W43 HydrophobicContact CE1-CE3 4.48Å; F29-W43 AromaticContact CE1-CH2 3.21Å; F29-W43 HydrophobicContact CE1-CH2 3.21Å; F29-W43 AromaticContact CE1-CZ2 3.92Å; F29-W43 HydrophobicContact CE1-CZ2 3.92Å; F29-W43 AromaticContact CE1-CZ3 3.56Å; F29-W43 HydrophobicContact CE1-CZ3 3.56Å; F29-W43 HydrophobicContact CE2-CH2 4.14Å; F29-W43 HydrophobicContact CG-CH2 4.18Å; F29-W43 HydrophobicContact CG-CZ3 4.22Å; F29-W43 AromaticContact CZ-CH2 3.54Å; F29-W43 HydrophobicContact CZ-CH2 3.54Å; F29-W43 HydrophobicContact CZ-CZ2 4.07Å; F29-W43 HydrophobicContact CZ-CZ3 4.31Å; Q33-W43 VanDerWaalsContact NE2-CD1 3.31Å; Q33-W43 VanDerWaalsContact NE2-NE1 3.15Å; L35-W43 HydrophobicContact CD1-CB 4.36Å; Q39-W43 WeakPolarHBondContact O-CB 3.43Å; Q39-W43 PolarHBondContact O-N 2.67Å; S40-W43 WeakPolarHBondContact O-CB 3.47Å; S40-W43 PolarHBondContact O-N 2.81Å; S40-W43 VanDerWaalsContact O-N 3.14Å; R41-W43 PolarHBondContact O-N 2.86Å; W43-E45 VanDerWaalsContact C-N 3.35Å; W43-E45 PolarHBondContact O-N 2.04Å; W43-R46 PolarHBondContact O-N 3.23Å; W43-K47 HydrophobicContact CE3-CG 4Å; W43-K47 HydrophobicContact CH2-CG 3.91Å; W43-K47 HydrophobicContact CZ2-CG 4.41Å; W43-K47 HydrophobicContact CZ3-CB 4.48Å; W43-K47 HydrophobicContact CZ3-CG 3.68Å; W43-K47 PolarHBondContact O-N 3.48Å; W43-F140 HydrophobicContact CB-CE2 4.25Å; W43-F140 HydrophobicContact CB-CZ 4.06Å; W43-F140 AromaticContact CD2-CE2 3.75Å; W43-F140 HydrophobicContact CD2-CE2 3.75Å; W43-F140 AromaticContact CD2-CZ 3.66Å; W43-F140 HydrophobicContact CD2-CZ 3.66Å; W43-F140 AromaticContact CE3-CE2 3.44Å; W43-F140 HydrophobicContact CE3-CE2 3.44Å; W43-F140 VanDerWaalsContact CE3-CE2 3.44Å; W43-F140 AromaticContact CE3-CZ 3.87Å; W43-F140 HydrophobicContact CE3-CZ 3.87Å; W43-F140 HydrophobicContact CG-CE2 4.11Å; W43-F140 AromaticContact CG-CZ 3.74Å; W43-F140 HydrophobicContact CG-CZ 3.74Å; W43-F140 HydrophobicContact CZ3-CE2 4.01Å; W43-C142 VanDerWaalsContact CE3-SG 3.56Å
44	C	98.8	Very high	98.5	Very high	0 Å²	0	56 Å²	56	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-44.4	176.3	-60.4	0	0	0	0	111.2	S40 R41 R46 K47 R48 A49 C142	S40-C44 PolarHBondContact O-N 3.38Å; S40-C44 PolarHBondContact O-SG 3.1Å; R41-C44 PolarHBondContact O-N 3.4Å; R41-C44 VanDerWaalsContact O-N 3.11Å; C44-R46 VanDerWaalsContact C-N 3.34Å; C44-R46 PolarHBondContact O-N 2.93Å; C44-K47 CarbonylContact O-C 3.6Å; C44-K47 WeakPolarHBondContact O-CA 3.42Å; C44-K47 WeakPolarHBondContact O-CB 3.25Å; C44-K47 PolarHBondContact O-N 3.31Å; C44-R48 PolarHBondContact O-N 2.92Å; C44-A49 CarbonylContact C-O 3.51Å; C44-A49 HydrophobicContact CB-CB 4.25Å; C44-A49 CarbonylContact O-C 3.58Å; C44-A49 WeakPolarHBondContact O-CA 3.27Å; C44-A49 WeakPolarHBondContact O-CB 3.21Å; C44-A49 PolarHBondContact O-N 2.84Å; C44-A49 VanDerWaalsContact O-O 3.11Å; C44-C142 WeakPolarHBondContact CA-SG 3.45Å; C44-C142 HydrophobicContact CB-CB 3.73Å; C44-C142 WeakPolarHBondContact CB-SG 3.42Å; C44-C142 VanDerWaalsContact SG-CA 3.53Å; C44-C142 WeakPolarHBondContact SG-CB 3.43Å; C44-C142 CovalentContact SG-SG 2.04Å; C44-C142 PolarHBondContact SG-SG 3.04Å
45	E	98.6	Very high	98.2	Very high	88 Å²	88	56.2 Å²	56.2	41%	0.411	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-42	179.7	-71.2	168.2	171.7	0	0	112	R41 W43 K47 R48 A49	R41-E45 HydrophobicContact CG-CG 4.5Å; R41-E45 WeakPolarHBondContact CG-OE1 3.33Å; R41-E45 IonicContact CZ-OE1 3.59Å; R41-E45 IonicContact NE-OE1 3.05Å; R41-E45 PolarHBondContact NE-OE1 3.5Å; R41-E45 IonicContact NH2-OE1 2.84Å; R41-E45 WeakPolarHBondContact O-CG 3.34Å; R41-E45 PolarHBondContact O-N 3.35Å; W43-E45 VanDerWaalsContact C-N 3.35Å; W43-E45 PolarHBondContact O-N 2.04Å; E45-K47 PolarHBondContact O-N 3.43Å; E45-K47 VanDerWaalsContact O-N 3.11Å; E45-R48 PolarHBondContact O-N 3.4Å; E45-A49 VanDerWaalsContact CA-O 3.24Å; E45-A49 WeakPolarHBondContact CA-O 3.41Å; E45-A49 PolarHBondContact N-O 3.11Å
46	R	98.3	Very high	98.1	Very high	167 Å²	167	56.9 Å²	56.9	63%	0.63	26%	0.26	S	S	*	.	H	α-helix	trans	-61.4	-19.2	173.6	-74.6	-172.2	-59.1	-90.4	3.1	113.7	S42 W43 C44	S42-R46 WeakPolarHBondContact O-CG 3.2Å; S42-R46 PolarHBondContact O-N 3.46Å; S42-R46 VanDerWaalsContact O-N 3.1Å; S42-R46 PolarHBondContact O-NH1 3Å; W43-R46 PolarHBondContact O-N 3.23Å; C44-R46 VanDerWaalsContact C-N 3.34Å; C44-R46 PolarHBondContact O-N 2.93Å
47	K	96.9	Very high	98	Very high	101 Å²	101	58.8 Å²	58.8	44%	0.439	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	14.6	174.8	-60.3	-60.5	-175.7	-179.5	0	113	W20 W43 C44 E45 A49 R144	W20-K47 HydrophobicContact CZ2-CB 4.03Å; W43-K47 HydrophobicContact CE3-CG 4Å; W43-K47 HydrophobicContact CH2-CG 3.91Å; W43-K47 HydrophobicContact CZ2-CG 4.41Å; W43-K47 HydrophobicContact CZ3-CB 4.48Å; W43-K47 HydrophobicContact CZ3-CG 3.68Å; W43-K47 PolarHBondContact O-N 3.48Å; C44-K47 CarbonylContact O-C 3.6Å; C44-K47 WeakPolarHBondContact O-CA 3.42Å; C44-K47 WeakPolarHBondContact O-CB 3.25Å; C44-K47 PolarHBondContact O-N 3.31Å; E45-K47 PolarHBondContact O-N 3.43Å; E45-K47 VanDerWaalsContact O-N 3.11Å; K47-A49 PolarHBondContact O-N 3.11Å; K47-R144 PolarHBondContact O-NH1 3.01Å
48	R	97	Very high	98	Very high	176 Å²	176	65.3 Å²	65.3	66%	0.664	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	44.3	-174.2	-56.4	-176.1	179.5	128.3	-1.1	111.3	C44 E45	C44-R48 PolarHBondContact O-N 2.92Å; E45-R48 PolarHBondContact O-N 3.4Å
49	A	98.3	Very high	97.9	Very high	10 Å²	10	61.1 Å²	61.1	8%	0.083	28%	0.279	C	S	.	.			trans	-135.8	174.8	-179.4	0	0	0	0	0	109	W20 C44 E45 K47 C142 Q143 R144	W20-A49 HydrophobicContact CH2-CB 3.48Å; W20-A49 VanDerWaalsContact CH2-CB 3.48Å; W20-A49 HydrophobicContact CZ2-CB 4.49Å; W20-A49 HydrophobicContact CZ3-CB 4.08Å; C44-A49 CarbonylContact C-O 3.51Å; C44-A49 HydrophobicContact CB-CB 4.25Å; C44-A49 CarbonylContact O-C 3.58Å; C44-A49 WeakPolarHBondContact O-CA 3.27Å; C44-A49 WeakPolarHBondContact O-CB 3.21Å; C44-A49 PolarHBondContact O-N 2.84Å; C44-A49 VanDerWaalsContact O-O 3.11Å; E45-A49 VanDerWaalsContact CA-O 3.24Å; E45-A49 WeakPolarHBondContact CA-O 3.41Å; E45-A49 PolarHBondContact N-O 3.11Å; K47-A49 PolarHBondContact O-N 3.11Å; A49-C142 HydrophobicContact CB-CB 4.07Å; A49-Q143 WeakPolarHBondContact CA-O 3.44Å; A49-Q143 VanDerWaalsContact CB-O 3.26Å; A49-Q143 WeakPolarHBondContact CB-O 3.35Å; A49-R144 HydrophobicContact CB-CB 3.85Å; A49-R144 HydrophobicContact CB-CG 4.41Å
50	H	98.8	Very high	97.9	Very high	62 Å²	62	56.7 Å²	56.7	29%	0.287	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	166	169.4	54	81.4	0	0	0	109.4	V87 C142 Q143	H50-V87 HydrophobicContact CB-CG2 3.95Å; H50-C142 CarbonylContact O-C 3.44Å; H50-C142 WeakPolarHBondContact O-CA 2.96Å; H50-Q143 PolarHBondContact CE1-OE1 3.5Å; H50-Q143 PolarHBondContact N-O 2.76Å; H50-Q143 PolarHBondContact O-N 2.93Å
51	L	98.9	Very high	97.9	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	141.3	165.7	-77.1	170.6	0	0	0	109	W37 R41 I53 W73 V87 F140 I141	W37-L51 HydrophobicContact CD2-CD1 4.12Å; W37-L51 HydrophobicContact CG-CD1 4.43Å; W37-L51 HydrophobicContact CZ2-CD1 3.97Å; R41-L51 HydrophobicContact CB-CD1 3.84Å; R41-L51 HydrophobicContact CB-CG 4.31Å; L51-I53 PolarHBondContact O-N 2.88Å; L51-W73 HydrophobicContact CD2-CB 4.35Å; L51-V87 HydrophobicContact CB-CG1 4.49Å; L51-V87 WeakPolarHBondContact O-CG2 3.38Å; L51-F140 HydrophobicContact CD2-CB 3.81Å; L51-F140 HydrophobicContact CD2-CD2 4.49Å; L51-I141 CarbonylContact C-O 3.47Å; L51-I141 WeakPolarHBondContact CA-O 3.39Å
52	V	98.9	Very high	97.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.272	C	S	.	.			trans	-55.3	137.1	-171.6	68.1	0	0	0	0	112	Y28 L54 V63 V74 G75 I141 Q143	Y28-V52 HydrophobicContact CD1-CG2 3.92Å; Y28-V52 HydrophobicContact CE1-CG2 3.73Å; V52-L54 HydrophobicContact CG2-CD2 3.71Å; V52-L54 HydrophobicContact CG2-CG 4.31Å; V52-V63 HydrophobicContact CG2-CG2 4.42Å; V52-V74 HydrophobicContact CG1-CB 3.93Å; V52-V74 HydrophobicContact CG1-CG1 3.66Å; V52-G75 WeakPolarHBondContact O-CA 3.28Å; V52-G75 PolarHBondContact O-N 3.1Å; V52-I141 HydrophobicContact CB-CB 4.06Å; V52-I141 HydrophobicContact CB-CG2 3.83Å; V52-I141 HydrophobicContact CG1-CB 3.69Å; V52-I141 HydrophobicContact CG1-CD1 4.44Å; V52-I141 HydrophobicContact CG1-CG2 3.92Å; V52-I141 HydrophobicContact CG2-CG2 4.34Å; V52-I141 PolarHBondContact N-O 3.26Å; V52-Q143 HydrophobicContact CB-CB 4.27Å; V52-Q143 HydrophobicContact CG2-CB 4.17Å
53	I	98.6	Very high	97.8	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.015	26%	0.256	C	S	.	.			trans	-113.4	129.4	174.4	-59.2	177.7	0	0	0	106.3	L51 H55 E59 W86 V87 N88 Q143	L51-I53 PolarHBondContact O-N 2.88Å; I53-H55 WeakPolarHBondContact CG2-CE1 3.43Å; I53-H55 WeakPolarHBondContact CG2-NE2 3.41Å; I53-E59 VanDerWaalsContact O-OE1 3.09Å; I53-W86 HydrophobicContact CB-CD2 4.4Å; I53-W86 HydrophobicContact CB-CE3 4.2Å; I53-W86 HydrophobicContact CD1-CB 4.12Å; I53-W86 HydrophobicContact CG1-CB 4.13Å; I53-W86 HydrophobicContact CG1-CE3 4.29Å; I53-W86 HydrophobicContact CG2-CB 3.86Å; I53-W86 HydrophobicContact CG2-CD2 3.59Å; I53-W86 HydrophobicContact CG2-CE3 3.88Å; I53-W86 HydrophobicContact CG2-CG 3.57Å; I53-V87 HydrophobicContact CD1-CG2 3.87Å; I53-V87 HydrophobicContact CG1-CG2 3.9Å; I53-N88 HydrophobicContact CD1-CB 3.65Å; I53-N88 WeakPolarHBondContact CD1-ND2 3.31Å; I53-Q143 PolarHBondContact O-OE1 3.39Å; I53-Q143 VanDerWaalsContact O-OE1 3.1Å
54	L	97.8	Very high	97.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.256	C	S	.	.			trans	-112.1	109.2	-172.1	-60.8	172.6	0	0	0	110.2	V52 E59 W60 V63 V74 W86 L123	V52-L54 HydrophobicContact CG2-CD2 3.71Å; V52-L54 HydrophobicContact CG2-CG 4.31Å; L54-E59 WeakPolarHBondContact CA-OE2 3.45Å; L54-E59 HydrophobicContact CD2-CG 3.73Å; L54-W60 HydrophobicContact CB-CD2 4.25Å; L54-W60 HydrophobicContact CB-CE3 3.31Å; L54-W60 HydrophobicContact CB-CH2 3.95Å; L54-W60 HydrophobicContact CB-CZ3 3.15Å; L54-W60 HydrophobicContact CD1-CD2 3.84Å; L54-W60 HydrophobicContact CD1-CE3 3.68Å; L54-W60 HydrophobicContact CD1-CH2 3.48Å; L54-W60 VanDerWaalsContact CD1-CH2 3.48Å; L54-W60 HydrophobicContact CD1-CZ2 3.66Å; L54-W60 HydrophobicContact CD1-CZ3 3.53Å; L54-W60 HydrophobicContact CG-CE3 4.07Å; L54-W60 HydrophobicContact CG-CH2 4.34Å; L54-W60 HydrophobicContact CG-CZ3 3.96Å; L54-V63 HydrophobicContact CD2-CB 4.06Å; L54-V63 HydrophobicContact CD2-CG1 4.28Å; L54-V63 HydrophobicContact CD2-CG2 3.76Å; L54-V74 HydrophobicContact CD1-CG1 4.39Å; L54-W86 HydrophobicContact CB-CH2 3.87Å; L54-W86 HydrophobicContact CB-CZ2 4.37Å; L54-W86 HydrophobicContact CG-CH2 4.37Å; L54-W86 WeakPolarHBondContact O-CZ2 3.08Å; L54-L123 HydrophobicContact CD1-CD2 4.41Å
55	H	91.8	Very high	97.8	Very high	117 Å²	117	64 Å²	64	54%	0.542	29%	0.294	S	S	.	.			trans	-109.5	-20.6	-171.5	-70.3	-57.1	0	0	0	114.8	I53 E59	I53-H55 WeakPolarHBondContact CG2-CE1 3.43Å; I53-H55 WeakPolarHBondContact CG2-NE2 3.41Å; H55-E59 PolarHBondContact N-OE2 3.46Å
56	S	96.1	Very high	97.7	Very high	50 Å²	50	65.4 Å²	65.4	35%	0.35	30%	0.298	S	S	.	.	S	Bend	trans	-132.4	157.8	-175.1	71.1	0	0	0	0	112.5	Q58 E59 W60	S56-Q58 PolarHBondContact O-N 2.94Å; S56-E59 PolarHBondContact O-N 3.41Å; S56-E59 VanDerWaalsContact OG-CB 3.32Å; S56-E59 WeakPolarHBondContact OG-CB 3.06Å; S56-E59 PolarHBondContact OG-N 3.3Å; S56-E59 VanDerWaalsContact OG-N 3.14Å; S56-W60 PolarHBondContact O-N 3.28Å
57	D	97.4	Very high	97.7	Very high	80 Å²	80	57.5 Å²	57.5	43%	0.428	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-36.5	176.5	-68	-14.4	0	0	0	111.4	W60 D61 R98 R99	D57-W60 WeakPolarHBondContact O-CB 3.36Å; D57-W60 PolarHBondContact O-N 2.88Å; D57-D61 VanDerWaalsContact O-CG 3.25Å; D57-D61 PolarHBondContact O-N 3.44Å; D57-R98 IonicContact OD1-NH2 3.66Å; D57-R98 PolarHBondContact OD1-NH2 2.84Å; D57-R98 IonicContact OD2-NH2 3.31Å; D57-R98 PolarHBondContact OD2-NH2 2.93Å; D57-R99 VanDerWaalsContact CG-NH2 3.3Å; D57-R99 IonicContact OD1-CZ 3.71Å; D57-R99 IonicContact OD1-NH2 2.63Å; D57-R99 PolarHBondContact OD1-NH2 2.84Å
58	Q	98.2	Very high	97.8	Very high	143 Å²	143	55.8 Å²	55.8	67%	0.668	27%	0.267	S	S	*	.	H	α-helix	trans	-64.5	-41.7	177.2	-64.5	173	1.9	0	0	112.5	F23 S56 D61 F62	F23-Q58 HydrophobicContact CE1-CB 4.45Å; F23-Q58 HydrophobicContact CZ-CB 4.08Å; F23-Q58 WeakPolarHBondContact CZ-O 3.26Å; S56-Q58 PolarHBondContact O-N 2.94Å; Q58-D61 PolarHBondContact O-N 2.92Å; Q58-F62 WeakPolarHBondContact O-CB 3.44Å; Q58-F62 PolarHBondContact O-N 3.01Å
59	E	97.8	Very high	97.8	Very high	10 Å²	10	51.2 Å²	51.2	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-66.5	-40.9	175.8	-173.8	175.6	-147.7	0	0	111.1	F23 Y28 I53 L54 H55 S56 D61 F62 V63 Q143	F23-E59 HydrophobicContact CE1-CB 4.39Å; Y28-E59 HydrophobicContact CE1-CG 4.34Å; Y28-E59 PolarHBondContact OH-OE1 2.71Å; I53-E59 VanDerWaalsContact O-OE1 3.09Å; L54-E59 WeakPolarHBondContact CA-OE2 3.45Å; L54-E59 HydrophobicContact CD2-CG 3.73Å; H55-E59 PolarHBondContact N-OE2 3.46Å; S56-E59 PolarHBondContact O-N 3.41Å; S56-E59 VanDerWaalsContact OG-CB 3.32Å; S56-E59 WeakPolarHBondContact OG-CB 3.06Å; S56-E59 PolarHBondContact OG-N 3.3Å; S56-E59 VanDerWaalsContact OG-N 3.14Å; E59-D61 PolarHBondContact O-N 3.4Å; E59-F62 PolarHBondContact O-N 3.47Å; E59-V63 HydrophobicContact CG-CG2 4.47Å; E59-V63 WeakPolarHBondContact O-CB 3.37Å; E59-V63 WeakPolarHBondContact O-CG2 3.42Å; E59-V63 PolarHBondContact O-N 2.93Å; E59-Q143 PolarHBondContact OE1-NE2 2.78Å
60	W	98.3	Very high	97.8	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.015	27%	0.272	C	S	.	.	H	α-helix	trans	-59.8	-46.3	175	-144	-76.4	0	0	0	111.8	L54 S56 D57 V63 T64 W86 I94 R99 L123 G127 L129	L54-W60 HydrophobicContact CB-CD2 4.25Å; L54-W60 HydrophobicContact CB-CE3 3.31Å; L54-W60 HydrophobicContact CB-CH2 3.95Å; L54-W60 HydrophobicContact CB-CZ3 3.15Å; L54-W60 HydrophobicContact CD1-CD2 3.84Å; L54-W60 HydrophobicContact CD1-CE3 3.68Å; L54-W60 HydrophobicContact CD1-CH2 3.48Å; L54-W60 VanDerWaalsContact CD1-CH2 3.48Å; L54-W60 HydrophobicContact CD1-CZ2 3.66Å; L54-W60 HydrophobicContact CD1-CZ3 3.53Å; L54-W60 HydrophobicContact CG-CE3 4.07Å; L54-W60 HydrophobicContact CG-CH2 4.34Å; L54-W60 HydrophobicContact CG-CZ3 3.96Å; S56-W60 PolarHBondContact O-N 3.28Å; D57-W60 WeakPolarHBondContact O-CB 3.36Å; D57-W60 PolarHBondContact O-N 2.88Å; W60-V63 PolarHBondContact O-N 3.45Å; W60-T64 VanDerWaalsContact CD1-CG2 3.5Å; W60-T64 VanDerWaalsContact O-CB 3.32Å; W60-T64 WeakPolarHBondContact O-CB 3.35Å; W60-T64 VanDerWaalsContact O-CG2 3.22Å; W60-T64 WeakPolarHBondContact O-CG2 3.36Å; W60-T64 PolarHBondContact O-N 3.29Å; W60-T64 PolarHBondContact O-OG1 3.02Å; W60-W86 HydrophobicContact CH2-CH2 4.31Å; W60-W86 HydrophobicContact CZ3-CH2 4.31Å; W60-I94 HydrophobicContact CZ3-CD1 4.22Å; W60-R99 HydrophobicContact CD2-CG 4.31Å; W60-R99 HydrophobicContact CE3-CG 4.29Å; W60-R99 HydrophobicContact CH2-CB 4.06Å; W60-R99 HydrophobicContact CH2-CG 4.15Å; W60-R99 HydrophobicContact CZ2-CB 3.91Å; W60-R99 HydrophobicContact CZ2-CG 4.15Å; W60-R99 HydrophobicContact CZ3-CG 4.18Å; W60-L123 HydrophobicContact CZ2-CD2 4.01Å; W60-G127 PolarHBondContact NE1-O 3.25Å; W60-L129 HydrophobicContact CH2-CD1 3.83Å; W60-L129 HydrophobicContact CH2-CD2 4.04Å; W60-L129 HydrophobicContact CH2-CG 3.92Å; W60-L129 HydrophobicContact CZ2-CD1 4.15Å; W60-L129 HydrophobicContact CZ2-CD2 3.94Å; W60-L129 HydrophobicContact CZ2-CG 3.76Å
61	D	98.4	Very high	97.8	Very high	98 Å²	98	52.8 Å²	52.8	52%	0.524	27%	0.268	S	S	.	.	H	α-helix	trans	-64.3	-43.8	179.7	-69.5	-11.4	0	0	0	111.5	D57 Q58 E59 T64 K65	D57-D61 VanDerWaalsContact O-CG 3.25Å; D57-D61 PolarHBondContact O-N 3.44Å; Q58-D61 PolarHBondContact O-N 2.92Å; E59-D61 PolarHBondContact O-N 3.4Å; D61-T64 PolarHBondContact O-OG1 3.14Å; D61-K65 WeakPolarHBondContact O-CB 3.16Å; D61-K65 PolarHBondContact O-N 3.29Å
62	F	98.5	Very high	97.8	Very high	27 Å²	27	53.5 Å²	53.5	12%	0.118	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-50.1	175.8	166.1	-103.8	0	0	0	111.9	T21 F23 Y28 F30 Q58 E59 K66	T21-F62 HydrophobicContact CG2-CE2 3.89Å; T21-F62 HydrophobicContact CG2-CZ 3.71Å; F23-F62 HydrophobicContact CB-CD1 3.63Å; F23-F62 HydrophobicContact CB-CD2 3.92Å; F23-F62 HydrophobicContact CB-CE1 3.55Å; F23-F62 HydrophobicContact CB-CE2 3.81Å; F23-F62 HydrophobicContact CB-CG 3.84Å; F23-F62 HydrophobicContact CB-CZ 3.64Å; F23-F62 HydrophobicContact CD1-CB 3.98Å; F23-F62 AromaticContact CD1-CD1 3.83Å; F23-F62 HydrophobicContact CD1-CD1 3.83Å; F23-F62 AromaticContact CD1-CG 3.88Å; F23-F62 HydrophobicContact CD1-CG 3.88Å; F23-F62 HydrophobicContact CD2-CB 3.76Å; F23-F62 HydrophobicContact CD2-CD1 4.16Å; F23-F62 AromaticContact CD2-CD2 3.49Å; F23-F62 HydrophobicContact CD2-CD2 3.49Å; F23-F62 VanDerWaalsContact CD2-CD2 3.49Å; F23-F62 HydrophobicContact CD2-CE2 4.14Å; F23-F62 AromaticContact CD2-CG 3.51Å; F23-F62 HydrophobicContact CD2-CG 3.51Å; F23-F62 HydrophobicContact CE1-CB 3.89Å; F23-F62 HydrophobicContact CE1-CG 4.31Å; F23-F62 HydrophobicContact CE2-CB 3.66Å; F23-F62 HydrophobicContact CE2-CD2 4.15Å; F23-F62 AromaticContact CE2-CG 3.98Å; F23-F62 HydrophobicContact CE2-CG 3.98Å; F23-F62 HydrophobicContact CG-CB 3.91Å; F23-F62 AromaticContact CG-CD1 3.61Å; F23-F62 HydrophobicContact CG-CD1 3.61Å; F23-F62 AromaticContact CG-CD2 3.77Å; F23-F62 HydrophobicContact CG-CD2 3.77Å; F23-F62 HydrophobicContact CG-CE1 4.07Å; F23-F62 HydrophobicContact CG-CE2 4.2Å; F23-F62 AromaticContact CG-CG 3.45Å; F23-F62 HydrophobicContact CG-CG 3.45Å; F23-F62 VanDerWaalsContact CG-CG 3.45Å; F23-F62 HydrophobicContact CG-CZ 4.34Å; F23-F62 HydrophobicContact CZ-CB 3.72Å; F23-F62 HydrophobicContact CZ-CG 4.34Å; Y28-F62 HydrophobicContact CD1-CE1 4.21Å; Y28-F62 HydrophobicContact CD2-CD1 4.38Å; Y28-F62 AromaticContact CD2-CE1 3.53Å; Y28-F62 HydrophobicContact CD2-CE1 3.53Å; Y28-F62 HydrophobicContact CD2-CZ 4.21Å; Y28-F62 HydrophobicContact CE2-CD1 4.43Å; Y28-F62 AromaticContact CE2-CE1 3.99Å; Y28-F62 HydrophobicContact CE2-CE1 3.99Å; Y28-F62 AromaticContact CG-CE1 3.67Å; Y28-F62 HydrophobicContact CG-CE1 3.67Å; Y28-F62 HydrophobicContact CG-CZ 4.48Å; F30-F62 HydrophobicContact CE2-CE1 4.44Å; F30-F62 HydrophobicContact CE2-CZ 4.42Å; F30-F62 HydrophobicContact CZ-CE1 4.33Å; Q58-F62 WeakPolarHBondContact O-CB 3.44Å; Q58-F62 PolarHBondContact O-N 3.01Å; E59-F62 PolarHBondContact O-N 3.47Å; F62-K66 HydrophobicContact CE2-CG 4.41Å; F62-K66 WeakPolarHBondContact O-CG 3.22Å; F62-K66 PolarHBondContact O-N 2.78Å
63	V	98.6	Very high	97.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-67.7	-42.9	-176.7	168.9	0	0	0	0	111.3	Y28 F30 V52 L54 E59 W60 K66 S67 L123 I141	Y28-V63 HydrophobicContact CD1-CG2 4.15Å; Y28-V63 HydrophobicContact CE1-CG2 4.15Å; F30-V63 HydrophobicContact CE1-CG1 4.34Å; V52-V63 HydrophobicContact CG2-CG2 4.42Å; L54-V63 HydrophobicContact CD2-CB 4.06Å; L54-V63 HydrophobicContact CD2-CG1 4.28Å; L54-V63 HydrophobicContact CD2-CG2 3.76Å; E59-V63 HydrophobicContact CG-CG2 4.47Å; E59-V63 WeakPolarHBondContact O-CB 3.37Å; E59-V63 WeakPolarHBondContact O-CG2 3.42Å; E59-V63 PolarHBondContact O-N 2.93Å; W60-V63 PolarHBondContact O-N 3.45Å; V63-K66 PolarHBondContact O-N 3.47Å; V63-S67 WeakPolarHBondContact O-CB 3.32Å; V63-S67 PolarHBondContact O-N 2.89Å; V63-S67 PolarHBondContact O-OG 3.47Å; V63-L123 HydrophobicContact CG1-CD1 3.47Å; V63-L123 VanDerWaalsContact CG1-CD1 3.47Å; V63-I141 HydrophobicContact CG1-CD1 3.59Å
64	T	98.1	Very high	97.8	Very high	24 Å²	24	53.4 Å²	53.4	15%	0.147	27%	0.271	C	S	.	.	H	α-helix	trans	-69	-38.9	-179.8	54.7	0	0	0	0	112.6	W60 D61 K66 S67 V68 L123 G127	W60-T64 VanDerWaalsContact CD1-CG2 3.5Å; W60-T64 VanDerWaalsContact O-CB 3.32Å; W60-T64 WeakPolarHBondContact O-CB 3.35Å; W60-T64 VanDerWaalsContact O-CG2 3.22Å; W60-T64 WeakPolarHBondContact O-CG2 3.36Å; W60-T64 PolarHBondContact O-N 3.29Å; W60-T64 PolarHBondContact O-OG1 3.02Å; D61-T64 PolarHBondContact O-OG1 3.14Å; T64-K66 PolarHBondContact O-N 2.63Å; T64-K66 VanDerWaalsContact O-N 3.13Å; T64-S67 WeakPolarHBondContact CA-OG 3.38Å; T64-S67 PolarHBondContact O-N 3.36Å; T64-V68 WeakPolarHBondContact O-CB 3.34Å; T64-V68 WeakPolarHBondContact O-CG2 3.18Å; T64-V68 PolarHBondContact O-N 3.29Å; T64-L123 HydrophobicContact CG2-CD2 4.34Å; T64-G127 WeakPolarHBondContact CG2-O 3.38Å
65	K	98.3	Very high	97.9	Very high	183 Å²	183	53.4 Å²	53.4	80%	0.796	27%	0.271	S	S	*	.	H	α-helix	trans	-57.5	-27.9	173.8	-176.4	174.8	-177.7	176.3	0	113.2	D61	D61-K65 WeakPolarHBondContact O-CB 3.16Å; D61-K65 PolarHBondContact O-N 3.29Å
66	K	97.9	Very high	98.2	Very high	118 Å²	118	47.8 Å²	47.8	51%	0.513	25%	0.245	S	C	.	.	H	α-helix	trans	-95.4	-26.7	-179.8	-69.3	-73.2	-173.5	170.4	0	113.9	F30 F62 V63 T64	F30-K66 HydrophobicContact CD1-CB 4.19Å; F30-K66 HydrophobicContact CE1-CB 3.55Å; F30-K66 HydrophobicContact CE2-CB 4.14Å; F30-K66 HydrophobicContact CE2-CG 4.44Å; F30-K66 HydrophobicContact CZ-CB 3.53Å; F30-K66 HydrophobicContact CZ-CG 4.12Å; F62-K66 HydrophobicContact CE2-CG 4.41Å; F62-K66 WeakPolarHBondContact O-CG 3.22Å; F62-K66 PolarHBondContact O-N 2.78Å; V63-K66 PolarHBondContact O-N 3.47Å; T64-K66 PolarHBondContact O-N 2.63Å; T64-K66 VanDerWaalsContact O-N 3.13Å
67	S	97.8	Very high	98.3	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.007	23%	0.233	C	C	.	.	H	α-helix	trans	-95.9	-30.7	-173.8	52	0	0	0	0	113.6	V63 T64 L70 Y72	V63-S67 WeakPolarHBondContact O-CB 3.32Å; V63-S67 PolarHBondContact O-N 2.89Å; V63-S67 PolarHBondContact O-OG 3.47Å; T64-S67 WeakPolarHBondContact CA-OG 3.38Å; T64-S67 PolarHBondContact O-N 3.36Å; S67-L70 WeakPolarHBondContact O-CA 3.3Å; S67-L70 WeakPolarHBondContact O-CB 3.18Å; S67-L70 PolarHBondContact O-N 3.01Å; S67-Y72 VanDerWaalsContact CB-CD2 3.42Å; S67-Y72 WeakPolarHBondContact O-CE2 3.36Å
68	V	97.8	Very high	98.4	Very high	66 Å²	66	43.4 Å²	43.4	40%	0.4	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	137	177	167.1	0	0	0	0	110.4	T64 R125	T64-V68 WeakPolarHBondContact O-CB 3.34Å; T64-V68 WeakPolarHBondContact O-CG2 3.18Å; T64-V68 PolarHBondContact O-N 3.29Å; V68-R125 WeakPolarHBondContact CG1-O 3.27Å
69	P	97.4	Very high	98.3	Very high	79 Å²	79	38.9 Å²	38.9	51%	0.513	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	cis	-100.4	24.4	7.9	40.4	-36.9	0	0	0	114.2	R125	P69-R125 WeakPolarHBondContact O-CG 3.25Å; P69-R125 PolarHBondContact O-NH1 2.92Å
70	L	98.4	Very high	98.1	Very high	65 Å²	65	45.6 Å²	45.6	34%	0.34	23%	0.234	S	C	.	.	S	Bend	trans	-89.7	168.9	-179	-56.8	175.4	0	0	0	111.3	S67 Y72	S67-L70 WeakPolarHBondContact O-CA 3.3Å; S67-L70 WeakPolarHBondContact O-CB 3.18Å; S67-L70 PolarHBondContact O-N 3.01Å; L70-Y72 HydrophobicContact CB-CD2 4.14Å; L70-Y72 HydrophobicContact CB-CE2 3.65Å; L70-Y72 HydrophobicContact CD1-CE2 4.22Å
71	L	98.8	Very high	98	Very high	41 Å²	41	48.6 Å²	48.6	22%	0.215	25%	0.253	C	S	.	.			trans	-101.4	130.7	178.5	-53.9	-176	0	0	0	110.1	L123 R125 L138 R139	L71-L123 WeakPolarHBondContact CA-O 3.15Å; L71-R125 HydrophobicContact CD2-CG 3.73Å; L71-L138 HydrophobicContact CB-CD1 4.4Å; L71-L138 HydrophobicContact CB-CD2 3.97Å; L71-L138 HydrophobicContact CD1-CD2 4.01Å; L71-R139 WeakPolarHBondContact O-CB 3.37Å; L71-R139 PolarHBondContact O-N 3.37Å
72	Y	98.9	Very high	97.9	Very high	15 Å²	15	46.9 Å²	46.9	6%	0.059	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.7	-176.8	-78.5	-90.6	0	0	0	112.4	F30 S31 S67 L70 V74 H122 L123 R139 I141	F30-Y72 HydrophobicContact CB-CE1 4.17Å; F30-Y72 HydrophobicContact CD1-CE1 4.39Å; S31-Y72 PolarHBondContact O-OH 2.73Å; S67-Y72 VanDerWaalsContact CB-CD2 3.42Å; S67-Y72 WeakPolarHBondContact O-CE2 3.36Å; L70-Y72 HydrophobicContact CB-CD2 4.14Å; L70-Y72 HydrophobicContact CB-CE2 3.65Å; L70-Y72 HydrophobicContact CD1-CE2 4.22Å; Y72-V74 PolarHBondContact O-N 2.92Å; Y72-H122 CarbonylContact O-C 3.56Å; Y72-H122 WeakPolarHBondContact O-CA 3.48Å; Y72-H122 VanDerWaalsContact O-CB 3.27Å; Y72-H122 WeakPolarHBondContact O-CB 3.38Å; Y72-L123 PolarHBondContact N-O 3.37Å; Y72-L123 PolarHBondContact O-N 3.4Å; Y72-R139 CarbonylContact C-O 3.41Å; Y72-R139 VanDerWaalsContact CA-O 3.25Å; Y72-R139 WeakPolarHBondContact CA-O 3.37Å; Y72-R139 HydrophobicContact CD1-CB 3.43Å; Y72-R139 VanDerWaalsContact CD1-CB 3.43Å; Y72-R139 HydrophobicContact CE1-CB 3.35Å; Y72-R139 HydrophobicContact CE1-CG 4.25Å; Y72-R139 HydrophobicContact CG-CB 4.06Å; Y72-I141 HydrophobicContact CD1-CD1 4.07Å; Y72-I141 HydrophobicContact CD1-CG1 3.45Å; Y72-I141 VanDerWaalsContact CD1-CG1 3.45Å; Y72-I141 HydrophobicContact CE1-CG1 4.22Å; Y72-I141 HydrophobicContact CG-CD1 3.93Å; Y72-I141 HydrophobicContact CG-CG1 3.82Å
73	W	98.9	Very high	97.9	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	135.6	165.3	-68.3	131.5	0	0	0	111.4	L35 W37 L51 C120 H122 V132 T136 L138 R139 F140 I141	L35-W73 PolarHBondContact O-NE1 2.85Å; W37-W73 HydrophobicContact CB-CD2 4.16Å; W37-W73 HydrophobicContact CB-CE3 4.49Å; W37-W73 HydrophobicContact CB-CH2 4.43Å; W37-W73 HydrophobicContact CB-CZ2 4.13Å; W37-W73 AromaticContact CD1-CD2 3.78Å; W37-W73 AromaticContact CD1-CE3 3.62Å; W37-W73 HydrophobicContact CG-CD2 4.39Å; W37-W73 HydrophobicContact CG-CE3 4.46Å; L51-W73 HydrophobicContact CD2-CB 4.35Å; W73-C120 HydrophobicContact CE3-CB 4.35Å; W73-C120 HydrophobicContact CH2-CB 3.86Å; W73-C120 HydrophobicContact CZ3-CB 3.61Å; W73-C120 WeakPolarHBondContact CZ3-O 3.48Å; W73-H122 HydrophobicContact CD2-CB 4.47Å; W73-H122 HydrophobicContact CE3-CB 3.66Å; W73-H122 HydrophobicContact CZ3-CB 3.99Å; W73-V132 HydrophobicContact CH2-CG1 3.16Å; W73-V132 HydrophobicContact CZ2-CG1 4.12Å; W73-V132 HydrophobicContact CZ3-CG1 3.5Å; W73-V132 VanDerWaalsContact CZ3-CG1 3.5Å; W73-T136 WeakPolarHBondContact CZ2-O 3.45Å; W73-T136 PolarHBondContact NE1-O 2.91Å; W73-L138 HydrophobicContact CD2-CB 4.15Å; W73-L138 HydrophobicContact CD2-CD1 3.85Å; W73-L138 HydrophobicContact CD2-CG 4.34Å; W73-L138 HydrophobicContact CE3-CD1 3.94Å; W73-L138 HydrophobicContact CG-CB 4.17Å; W73-L138 HydrophobicContact CH2-CD1 3.99Å; W73-L138 HydrophobicContact CZ2-CD1 3.85Å; W73-L138 HydrophobicContact CZ2-CG 4.03Å; W73-L138 HydrophobicContact CZ3-CD1 3.99Å; W73-R139 PolarHBondContact N-O 3.07Å; W73-F140 HydrophobicContact CB-CB 3.87Å; W73-I141 PolarHBondContact O-N 3.45Å
74	V	98.9	Very high	97.8	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	167.8	167.6	-61.2	0	0	0	0	109.3	W37 V52 L54 Y72 L76 W86 A121 L123 L129	W37-V74 PolarHBondContact NE1-O 3.07Å; V52-V74 HydrophobicContact CG1-CB 3.93Å; V52-V74 HydrophobicContact CG1-CG1 3.66Å; L54-V74 HydrophobicContact CD1-CG1 4.39Å; Y72-V74 PolarHBondContact O-N 2.92Å; V74-L76 HydrophobicContact CG2-CB 3.95Å; V74-L76 PolarHBondContact O-N 2.8Å; V74-W86 HydrophobicContact CG2-CZ3 4.43Å; V74-A121 HydrophobicContact CG2-CB 4.11Å; V74-A121 WeakPolarHBondContact CG2-O 3.22Å; V74-A121 PolarHBondContact N-O 3.27Å; V74-L123 HydrophobicContact CG1-CD1 3.98Å; V74-L123 HydrophobicContact CG1-CG 3.72Å; V74-L129 HydrophobicContact CG2-CD2 3.81Å
75	G	98.8	Very high	97.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	35	-176.4	0	0	0	0	0	113.9	V52 W86 V87	V52-G75 WeakPolarHBondContact O-CA 3.28Å; V52-G75 PolarHBondContact O-N 3.1Å; G75-W86 CarbonylContact O-C 3.14Å; G75-W86 VanDerWaalsContact O-C 3.3Å; G75-W86 WeakPolarHBondContact O-CA 3.34Å; G75-V87 WeakPolarHBondContact O-CG1 3.47Å; G75-V87 PolarHBondContact O-N 3.44Å
76	L	98.8	Very high	97.9	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.9	-175.1	-179.2	64.7	0	0	0	110.2	V74 W84 E85 W86 Y92 W100 A121 L129	V74-L76 HydrophobicContact CG2-CB 3.95Å; V74-L76 PolarHBondContact O-N 2.8Å; L76-W84 HydrophobicContact CD1-CB 4.1Å; L76-W84 HydrophobicContact CD1-CE3 4.05Å; L76-W84 HydrophobicContact CD2-CE3 4.23Å; L76-W84 HydrophobicContact CG-CD2 4.49Å; L76-W84 HydrophobicContact CG-CE3 3.61Å; L76-W84 HydrophobicContact CG-CZ3 4.16Å; L76-E85 WeakPolarHBondContact CA-O 3.49Å; L76-E85 WeakPolarHBondContact CD1-O 3.4Å; L76-W86 HydrophobicContact CB-CD2 4.4Å; L76-W86 HydrophobicContact CB-CE3 3.7Å; L76-W86 HydrophobicContact CB-CH2 4.22Å; L76-W86 HydrophobicContact CB-CZ3 3.6Å; L76-W86 HydrophobicContact CD1-CD2 4.04Å; L76-W86 HydrophobicContact CD1-CE3 4.19Å; L76-W86 HydrophobicContact CD1-CZ3 4.5Å; L76-W86 HydrophobicContact CD2-CH2 4.21Å; L76-W86 HydrophobicContact CD2-CZ3 4.43Å; L76-W86 HydrophobicContact CG-CE3 4.46Å; L76-W86 HydrophobicContact CG-CZ3 4.39Å; L76-Y92 HydrophobicContact CD1-CD2 3.97Å; L76-Y92 HydrophobicContact CD1-CG 4.1Å; L76-Y92 HydrophobicContact CD2-CD2 3.78Å; L76-Y92 HydrophobicContact CD2-CE2 4.08Å; L76-Y92 HydrophobicContact CD2-CG 4.34Å; L76-W100 HydrophobicContact CD2-CH2 4.2Å; L76-W100 HydrophobicContact CD2-CZ2 3.74Å; L76-A121 HydrophobicContact CB-CB 3.9Å; L76-A121 HydrophobicContact CD2-CB 3.89Å; L76-A121 HydrophobicContact CG-CB 3.97Å; L76-A121 PolarHBondContact O-N 3.32Å; L76-L129 HydrophobicContact CD2-CD1 3.56Å; L76-L129 HydrophobicContact CD2-CD2 4.41Å
77	T	98.8	Very high	97.9	Very high	18 Å²	18	44 Å²	44	11%	0.11	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	153.1	-178.5	-179.2	0	0	0	0	110.1	W37 G79 E85 D119	W37-T77 HydrophobicContact CH2-CG2 3.7Å; W37-T77 HydrophobicContact CZ2-CG2 3.81Å; T77-G79 PolarHBondContact OG1-N 2.91Å; T77-E85 PolarHBondContact N-O 3.26Å; T77-E85 WeakPolarHBondContact O-CG 3.4Å; T77-E85 PolarHBondContact O-N 3.45Å; T77-D119 WeakPolarHBondContact CA-O 3.02Å; T77-D119 VanDerWaalsContact CB-O 3.31Å; T77-D119 WeakPolarHBondContact CB-O 3.49Å; T77-D119 PolarHBondContact OG1-O 2.88Å
78	D	98.1	Very high	97.9	Very high	20 Å²	20	47.4 Å²	47.4	11%	0.107	26%	0.258	C	S	.	.			trans	-112.9	-7.7	169	57	-13.9	0	0	0	113.7	R80 T81 G82 R83 W84 D119	D78-R80 PolarHBondContact O-N 3.31Å; D78-T81 PolarHBondContact O-N 2.82Å; D78-G82 WeakPolarHBondContact O-CA 3.33Å; D78-G82 PolarHBondContact O-N 3.02Å; D78-R83 WeakPolarHBondContact CA-O 3.38Å; D78-R83 VanDerWaalsContact CB-C 3.43Å; D78-W84 HydrophobicContact CB-CD2 3.91Å; D78-W84 HydrophobicContact CB-CE3 4.14Å; D78-W84 HydrophobicContact CB-CG 4.15Å; D78-W84 PolarHBondContact OD2-NE1 2.9Å; D78-D119 PolarHBondContact N-O 2.86Å; D78-D119 VanDerWaalsContact N-O 3.15Å; D78-D119 WeakPolarHBondContact OD1-CA 3.48Å; D78-D119 VanDerWaalsContact OD1-O 3.12Å
79	G	96.1	Very high	97.9	Very high	47 Å²	47	51 Å²	51	49%	0.485	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.2	-175.4	0	0	0	0	0	117.1	T77 D119	T77-G79 PolarHBondContact OG1-N 2.91Å; G79-D119 WeakPolarHBondContact CA-OD1 3.37Å
80	R	94.7	Very high	97.9	Very high	152 Å²	152	49.7 Å²	49.7	57%	0.574	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-35.7	174.2	-170.4	179.1	67.7	82.9	-2.9	113	D78 E85	D78-R80 PolarHBondContact O-N 3.31Å; R80-E85 WeakPolarHBondContact CB-OE1 3.24Å; R80-E85 IonicContact CZ-OE1 3.4Å; R80-E85 IonicContact CZ-OE2 3.39Å; R80-E85 IonicContact NE-OE1 2.67Å; R80-E85 PolarHBondContact NE-OE1 3.44Å; R80-E85 IonicContact NE-OE2 3.5Å; R80-E85 PolarHBondContact NE-OE2 3.02Å; R80-E85 IonicContact NH2-OE1 3.39Å; R80-E85 PolarHBondContact NH2-OE1 3.43Å; R80-E85 IonicContact NH2-OE2 2.61Å; R80-E85 PolarHBondContact NH2-OE2 3.14Å
81	T	95.6	Very high	97.9	Very high	67 Å²	67	51 Å²	51	41%	0.411	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.9	-4	-167.8	70.3	0	0	0	0	114.4	D78 R83	D78-T81 PolarHBondContact O-N 2.82Å; T81-R83 PolarHBondContact O-N 3.39Å; T81-R83 PolarHBondContact OG1-N 3.34Å; T81-R83 PolarHBondContact OG1-O 2.73Å
82	G	96.6	Very high	97.8	Very high	62 Å²	62	50.6 Å²	50.6	64%	0.639	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	14.8	-166.1	0	0	0	0	0	113	D78	D78-G82 WeakPolarHBondContact O-CA 3.33Å; D78-G82 PolarHBondContact O-N 3.02Å
83	R	97.5	Very high	97.7	Very high	198 Å²	198	55.9 Å²	55.9	75%	0.747	30%	0.303	S	S	*	.	S	Bend	trans	-133.2	135.7	175.3	-61.2	-176.1	178	-169.6	-0.7	109.8	D78 T81 E85	D78-R83 WeakPolarHBondContact CA-O 3.38Å; D78-R83 VanDerWaalsContact CB-C 3.43Å; T81-R83 PolarHBondContact O-N 3.39Å; T81-R83 PolarHBondContact OG1-N 3.34Å; T81-R83 PolarHBondContact OG1-O 2.73Å; R83-E85 PolarHBondContact O-N 3.35Å
84	W	98.5	Very high	97.6	Very high	40 Å²	40	57.8 Å²	57.8	15%	0.152	31%	0.313	C	S	.	.			trans	-59.3	121.1	179.5	-70.9	100.4	0	0	0	112.1	L76 D78 Y92 W100 P105 A121 D131	L76-W84 HydrophobicContact CD1-CB 4.1Å; L76-W84 HydrophobicContact CD1-CE3 4.05Å; L76-W84 HydrophobicContact CD2-CE3 4.23Å; L76-W84 HydrophobicContact CG-CD2 4.49Å; L76-W84 HydrophobicContact CG-CE3 3.61Å; L76-W84 HydrophobicContact CG-CZ3 4.16Å; D78-W84 HydrophobicContact CB-CD2 3.91Å; D78-W84 HydrophobicContact CB-CE3 4.14Å; D78-W84 HydrophobicContact CB-CG 4.15Å; D78-W84 PolarHBondContact OD2-NE1 2.9Å; W84-Y92 HydrophobicContact CB-CD1 4.47Å; W84-Y92 HydrophobicContact CB-CG 4.39Å; W84-Y92 WeakPolarHBondContact O-CB 3.21Å; W84-Y92 PolarHBondContact O-N 2.9Å; W84-W100 AromaticContact CD2-CH2 3.89Å; W84-W100 HydrophobicContact CD2-CH2 3.89Å; W84-W100 AromaticContact CD2-CZ2 3.86Å; W84-W100 HydrophobicContact CD2-CZ2 3.86Å; W84-W100 AromaticContact CE2-CH2 3.67Å; W84-W100 AromaticContact CE2-CZ2 3.9Å; W84-W100 AromaticContact CE3-CH2 4Å; W84-W100 HydrophobicContact CE3-CH2 4Å; W84-W100 HydrophobicContact CE3-CZ2 4.2Å; W84-W100 HydrophobicContact CG-CZ2 4.27Å; W84-W100 AromaticContact CH2-CH2 3.64Å; W84-W100 HydrophobicContact CH2-CH2 3.64Å; W84-W100 HydrophobicContact CH2-CZ3 4.38Å; W84-W100 AromaticContact CZ2-CH2 3.55Å; W84-W100 HydrophobicContact CZ2-CH2 3.55Å; W84-W100 HydrophobicContact CZ2-CZ2 4.26Å; W84-W100 HydrophobicContact CZ2-CZ3 4.25Å; W84-W100 AromaticContact CZ3-CH2 3.86Å; W84-W100 HydrophobicContact CZ3-CH2 3.86Å; W84-P105 HydrophobicContact CZ2-CB 3.64Å; W84-P105 HydrophobicContact CZ2-CG 4.01Å; W84-A121 HydrophobicContact CH2-CB 4.24Å; W84-A121 HydrophobicContact CZ3-CB 3.77Å; W84-D131 HydrophobicContact CH2-CB 3.7Å; W84-D131 HydrophobicContact CZ2-CB 3.85Å
85	E	98.5	Very high	97.4	Very high	20 Å²	20	64.1 Å²	64.1	9%	0.093	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	149.3	179.3	59.9	175.2	-158.8	0	0	111.5	L76 T77 R80 R83 T90	L76-E85 WeakPolarHBondContact CA-O 3.49Å; L76-E85 WeakPolarHBondContact CD1-O 3.4Å; T77-E85 PolarHBondContact N-O 3.26Å; T77-E85 WeakPolarHBondContact O-CG 3.4Å; T77-E85 PolarHBondContact O-N 3.45Å; R80-E85 WeakPolarHBondContact CB-OE1 3.24Å; R80-E85 IonicContact CZ-OE1 3.4Å; R80-E85 IonicContact CZ-OE2 3.39Å; R80-E85 IonicContact NE-OE1 2.67Å; R80-E85 PolarHBondContact NE-OE1 3.44Å; R80-E85 IonicContact NE-OE2 3.5Å; R80-E85 PolarHBondContact NE-OE2 3.02Å; R80-E85 IonicContact NH2-OE1 3.39Å; R80-E85 PolarHBondContact NH2-OE1 3.43Å; R80-E85 IonicContact NH2-OE2 2.61Å; R80-E85 PolarHBondContact NH2-OE2 3.14Å; R83-E85 PolarHBondContact O-N 3.35Å; E85-T90 WeakPolarHBondContact CA-O 3.47Å
86	W	98.6	Very high	97.2	Very high	6 Å²	6	70.1 Å²	70.1	2%	0.023	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	159.2	172.5	-61.4	109	0	0	0	110.7	I53 L54 W60 V74 G75 L76 N88 Q89 T90 Y92	I53-W86 HydrophobicContact CB-CD2 4.4Å; I53-W86 HydrophobicContact CB-CE3 4.2Å; I53-W86 HydrophobicContact CD1-CB 4.12Å; I53-W86 HydrophobicContact CG1-CB 4.13Å; I53-W86 HydrophobicContact CG1-CE3 4.29Å; I53-W86 HydrophobicContact CG2-CB 3.86Å; I53-W86 HydrophobicContact CG2-CD2 3.59Å; I53-W86 HydrophobicContact CG2-CE3 3.88Å; I53-W86 HydrophobicContact CG2-CG 3.57Å; L54-W86 HydrophobicContact CB-CH2 3.87Å; L54-W86 HydrophobicContact CB-CZ2 4.37Å; L54-W86 HydrophobicContact CG-CH2 4.37Å; L54-W86 WeakPolarHBondContact O-CZ2 3.08Å; W60-W86 HydrophobicContact CH2-CH2 4.31Å; W60-W86 HydrophobicContact CZ3-CH2 4.31Å; V74-W86 HydrophobicContact CG2-CZ3 4.43Å; G75-W86 CarbonylContact O-C 3.14Å; G75-W86 VanDerWaalsContact O-C 3.3Å; G75-W86 WeakPolarHBondContact O-CA 3.34Å; L76-W86 HydrophobicContact CB-CD2 4.4Å; L76-W86 HydrophobicContact CB-CE3 3.7Å; L76-W86 HydrophobicContact CB-CH2 4.22Å; L76-W86 HydrophobicContact CB-CZ3 3.6Å; L76-W86 HydrophobicContact CD1-CD2 4.04Å; L76-W86 HydrophobicContact CD1-CE3 4.19Å; L76-W86 HydrophobicContact CD1-CZ3 4.5Å; L76-W86 HydrophobicContact CD2-CH2 4.21Å; L76-W86 HydrophobicContact CD2-CZ3 4.43Å; L76-W86 HydrophobicContact CG-CE3 4.46Å; L76-W86 HydrophobicContact CG-CZ3 4.39Å; W86-N88 WeakPolarHBondContact CB-OD1 3.25Å; W86-N88 PolarHBondContact O-N 3.34Å; W86-Q89 WeakPolarHBondContact O-CA 3.33Å; W86-Q89 PolarHBondContact O-N 3.25Å; W86-T90 PolarHBondContact N-O 2.96Å; W86-Y92 AromaticContact CE2-CD2 3.95Å; W86-Y92 HydrophobicContact CH2-CD2 4.47Å; W86-Y92 AromaticContact CZ2-CD2 3.63Å; W86-Y92 HydrophobicContact CZ2-CD2 3.63Å; W86-Y92 HydrophobicContact CZ2-CE2 4.03Å
87	V	98.4	Very high	97	Very high	27 Å²	27	74.3 Å²	74.3	16%	0.164	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.6	179.1	-74.1	0	0	0	0	114.2	W37 H50 L51 I53 G75 Q89	W37-V87 HydrophobicContact CH2-CG1 3.69Å; W37-V87 HydrophobicContact CZ2-CG1 3.63Å; H50-V87 HydrophobicContact CB-CG2 3.95Å; L51-V87 HydrophobicContact CB-CG1 4.49Å; L51-V87 WeakPolarHBondContact O-CG2 3.38Å; I53-V87 HydrophobicContact CD1-CG2 3.87Å; I53-V87 HydrophobicContact CG1-CG2 3.9Å; G75-V87 WeakPolarHBondContact O-CG1 3.47Å; G75-V87 PolarHBondContact O-N 3.44Å; V87-Q89 VanDerWaalsContact C-N 3.28Å
88	N	97.3	Very high	96.9	Very high	72 Å²	72	79.6 Å²	79.6	39%	0.385	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	12.8	170.4	71.9	-7.2	0	0	0	113.6	I53 W86 T90	I53-N88 HydrophobicContact CD1-CB 3.65Å; I53-N88 WeakPolarHBondContact CD1-ND2 3.31Å; W86-N88 WeakPolarHBondContact CB-OD1 3.25Å; W86-N88 PolarHBondContact O-N 3.34Å; N88-T90 PolarHBondContact O-N 2.97Å; N88-T90 WeakPolarHBondContact OD1-CB 3.21Å; N88-T90 WeakPolarHBondContact OD1-CG2 3.4Å; N88-T90 PolarHBondContact OD1-N 2.98Å; N88-T90 VanDerWaalsContact OD1-N 3.08Å; N88-T90 PolarHBondContact OD1-OG1 3.22Å
89	Q	97.7	Very high	96.9	Very high	142 Å²	142	80.2 Å²	80.2	66%	0.664	41%	0.413	S	S	*	.	S	Bend	trans	67.1	13.6	179.3	-52.2	170.6	-28.4	0	0	114.5	W86 V87	W86-Q89 WeakPolarHBondContact O-CA 3.33Å; W86-Q89 PolarHBondContact O-N 3.25Å; V87-Q89 VanDerWaalsContact C-N 3.28Å
90	T	97.9	Very high	97	Very high	52 Å²	52	78.2 Å²	78.2	32%	0.319	39%	0.391	S	S	.	.			trans	-82.9	136.6	172.4	62.2	0	0	0	0	110.8	E85 W86 N88	E85-T90 WeakPolarHBondContact CA-O 3.47Å; W86-T90 PolarHBondContact N-O 2.96Å; N88-T90 PolarHBondContact O-N 2.97Å; N88-T90 WeakPolarHBondContact OD1-CB 3.21Å; N88-T90 WeakPolarHBondContact OD1-CG2 3.4Å; N88-T90 PolarHBondContact OD1-N 2.98Å; N88-T90 VanDerWaalsContact OD1-N 3.08Å; N88-T90 PolarHBondContact OD1-OG1 3.22Å
91	P	97.9	Very high	97.2	Very high	92 Å²	92	72.2 Å²	72.2	60%	0.597	37%	0.371	S	S	*	.	B	Isolated β-bridge	trans	-64	146.6	178	-21.7	32.8	0	0	0	112.6	T93	P91-T93 HydrophobicContact CB-CG2 4.37Å; P91-T93 PolarHBondContact O-N 2.63Å
92	Y	98	Very high	97.3	Very high	32 Å²	32	74.3 Å²	74.3	13%	0.125	39%	0.386	C	S	.	.			trans	-78.5	115.5	167.4	178.9	-90.9	0	0	0	110.2	L76 W84 W86 I94 R99 W100 L129	L76-Y92 HydrophobicContact CD1-CD2 3.97Å; L76-Y92 HydrophobicContact CD1-CG 4.1Å; L76-Y92 HydrophobicContact CD2-CD2 3.78Å; L76-Y92 HydrophobicContact CD2-CE2 4.08Å; L76-Y92 HydrophobicContact CD2-CG 4.34Å; W84-Y92 HydrophobicContact CB-CD1 4.47Å; W84-Y92 HydrophobicContact CB-CG 4.39Å; W84-Y92 WeakPolarHBondContact O-CB 3.21Å; W84-Y92 PolarHBondContact O-N 2.9Å; W86-Y92 AromaticContact CE2-CD2 3.95Å; W86-Y92 HydrophobicContact CH2-CD2 4.47Å; W86-Y92 AromaticContact CZ2-CD2 3.63Å; W86-Y92 HydrophobicContact CZ2-CD2 3.63Å; W86-Y92 HydrophobicContact CZ2-CE2 4.03Å; Y92-I94 HydrophobicContact CE1-CB 4.24Å; Y92-I94 WeakPolarHBondContact CE1-O 3.32Å; Y92-I94 HydrophobicContact CE2-CB 4.06Å; Y92-I94 HydrophobicContact CE2-CD1 4.12Å; Y92-I94 HydrophobicContact CE2-CG1 4.45Å; Y92-I94 WeakPolarHBondContact OH-CB 3.44Å; Y92-I94 PolarHBondContact OH-O 3.24Å; Y92-R99 WeakPolarHBondContact OH-CB 3.39Å; Y92-W100 AromaticContact CE1-NE1 3.34Å; Y92-W100 VanDerWaalsContact CE1-NE1 3.34Å; Y92-W100 AromaticContact CZ-NE1 3.39Å; Y92-W100 PolarHBondContact OH-NE1 2.8Å; Y92-L129 HydrophobicContact CE2-CD1 3.94Å
93	T	96.8	Very high	97.3	Very high	126 Å²	126	74 Å²	74	77%	0.773	38%	0.383	S	S	*	.			trans	-114.6	-1.9	-173.2	55.9	0	0	0	0	114.2	P91	P91-T93 HydrophobicContact CB-CG2 4.37Å; P91-T93 PolarHBondContact O-N 2.63Å
94	I	96	Very high	97.3	Very high	40 Å²	40	65.7 Å²	65.7	21%	0.205	35%	0.353	C	S	.	.	S	Bend	trans	-76	135.4	-178.9	-58.3	163.1	0	0	0	109.3	W60 Y92 R96 R98 R99	W60-I94 HydrophobicContact CZ3-CD1 4.22Å; Y92-I94 HydrophobicContact CE1-CB 4.24Å; Y92-I94 WeakPolarHBondContact CE1-O 3.32Å; Y92-I94 HydrophobicContact CE2-CB 4.06Å; Y92-I94 HydrophobicContact CE2-CD1 4.12Å; Y92-I94 HydrophobicContact CE2-CG1 4.45Å; Y92-I94 WeakPolarHBondContact OH-CB 3.44Å; Y92-I94 PolarHBondContact OH-O 3.24Å; I94-R96 PolarHBondContact O-N 3.31Å; I94-R98 HydrophobicContact CG2-CB 4.18Å; I94-R99 HydrophobicContact CG2-CG 3.68Å
95	E	94.8	Very high	97.3	Very high	133 Å²	133	64.8 Å²	64.8	62%	0.621	35%	0.352	S	S	*	.			trans	-52.9	132.9	178	-66.9	-178.1	169.7	0	0	112.4	S97 R98	E95-S97 VanDerWaalsContact C-N 3.27Å; E95-S97 PolarHBondContact O-N 2.72Å; E95-R98 HydrophobicContact CB-CG 4.14Å; E95-R98 WeakPolarHBondContact O-CB 3.42Å; E95-R98 PolarHBondContact O-N 3.01Å
96	R	94.2	Very high	97.2	Very high	127 Å²	127	67.6 Å²	67.6	48%	0.479	37%	0.367	S	S	.	.	H	α-helix	trans	-50.7	-47	-177	-178.2	177.5	168	140.2	-2.3	112.1	I94 R98 R99 W100 G103 Q104 P105	I94-R96 PolarHBondContact O-N 3.31Å; R96-R98 PolarHBondContact O-N 3.38Å; R96-R98 VanDerWaalsContact O-N 3.14Å; R96-R99 PolarHBondContact O-N 3.19Å; R96-W100 HydrophobicContact CG-CB 4.17Å; R96-W100 HydrophobicContact CG-CG 4.22Å; R96-W100 WeakPolarHBondContact O-CB 3.37Å; R96-W100 PolarHBondContact O-N 2.84Å; R96-G103 PolarHBondContact NH2-O 3.19Å; R96-Q104 WeakPolarHBondContact CG-O 3.25Å; R96-Q104 PolarHBondContact NE-O 2.95Å; R96-Q104 PolarHBondContact NH2-O 2.97Å; R96-P105 VanDerWaalsContact CZ-CD 3.45Å; R96-P105 VanDerWaalsContact CZ-N 3.33Å; R96-P105 PolarHBondContact NH1-O 2.93Å; R96-P105 PolarHBondContact NH2-O 2.76Å
97	S	96	Very high	97.1	Very high	88 Å²	88	69.3 Å²	69.3	62%	0.615	38%	0.383	S	S	*	.	H	α-helix	trans	-61.5	-19.4	-179.3	59	0	0	0	0	114.5	E95 R128	E95-S97 VanDerWaalsContact C-N 3.27Å; E95-S97 PolarHBondContact O-N 2.72Å; S97-R128 PolarHBondContact O-NH2 3.41Å
98	R	96	Very high	97	Very high	128 Å²	128	74.4 Å²	74.4	48%	0.483	40%	0.4	S	S	.	.	H	α-helix	trans	-81.4	-47.6	179.8	-66.6	-173.7	66.5	-172.2	-4.5	111.8	D57 I94 E95 R96	D57-R98 IonicContact OD1-NH2 3.66Å; D57-R98 PolarHBondContact OD1-NH2 2.84Å; D57-R98 IonicContact OD2-NH2 3.31Å; D57-R98 PolarHBondContact OD2-NH2 2.93Å; I94-R98 HydrophobicContact CG2-CB 4.18Å; E95-R98 HydrophobicContact CB-CG 4.14Å; E95-R98 WeakPolarHBondContact O-CB 3.42Å; E95-R98 PolarHBondContact O-N 3.01Å; R96-R98 PolarHBondContact O-N 3.38Å; R96-R98 VanDerWaalsContact O-N 3.14Å
99	R	97.4	Very high	97	Very high	33 Å²	33	75.9 Å²	75.9	13%	0.125	41%	0.412	C	S	.	.	H	α-helix	trans	-114.6	-16.2	-167.4	-59.6	-59	-174.2	-178.6	-3.8	115.6	D57 W60 Y92 I94 R96 R128 L129	D57-R99 VanDerWaalsContact CG-NH2 3.3Å; D57-R99 IonicContact OD1-CZ 3.71Å; D57-R99 IonicContact OD1-NH2 2.63Å; D57-R99 PolarHBondContact OD1-NH2 2.84Å; W60-R99 HydrophobicContact CD2-CG 4.31Å; W60-R99 HydrophobicContact CE3-CG 4.29Å; W60-R99 HydrophobicContact CH2-CB 4.06Å; W60-R99 HydrophobicContact CH2-CG 4.15Å; W60-R99 HydrophobicContact CZ2-CB 3.91Å; W60-R99 HydrophobicContact CZ2-CG 4.15Å; W60-R99 HydrophobicContact CZ3-CG 4.18Å; Y92-R99 WeakPolarHBondContact OH-CB 3.39Å; I94-R99 HydrophobicContact CG2-CG 3.68Å; R96-R99 PolarHBondContact O-N 3.19Å; R99-R128 CarbonylContact O-C 3.57Å; R99-R128 WeakPolarHBondContact O-CA 3.44Å; R99-R128 VanDerWaalsContact O-CB 3.25Å; R99-R128 WeakPolarHBondContact O-CB 3.19Å; R99-L129 HydrophobicContact CB-CD1 4.36Å; R99-L129 PolarHBondContact O-N 3.34Å
100	W	98.5	Very high	96.8	Very high	6 Å²	6	71.4 Å²	71.4	2%	0.023	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-97.6	135.5	180	-67.3	84	0	0	0	113.1	L76 W84 Y92 R96 Q104 P105 A121 R128 L129 D131	L76-W100 HydrophobicContact CD2-CH2 4.2Å; L76-W100 HydrophobicContact CD2-CZ2 3.74Å; W84-W100 AromaticContact CD2-CH2 3.89Å; W84-W100 HydrophobicContact CD2-CH2 3.89Å; W84-W100 AromaticContact CD2-CZ2 3.86Å; W84-W100 HydrophobicContact CD2-CZ2 3.86Å; W84-W100 AromaticContact CE2-CH2 3.67Å; W84-W100 AromaticContact CE2-CZ2 3.9Å; W84-W100 AromaticContact CE3-CH2 4Å; W84-W100 HydrophobicContact CE3-CH2 4Å; W84-W100 HydrophobicContact CE3-CZ2 4.2Å; W84-W100 HydrophobicContact CG-CZ2 4.27Å; W84-W100 AromaticContact CH2-CH2 3.64Å; W84-W100 HydrophobicContact CH2-CH2 3.64Å; W84-W100 HydrophobicContact CH2-CZ3 4.38Å; W84-W100 AromaticContact CZ2-CH2 3.55Å; W84-W100 HydrophobicContact CZ2-CH2 3.55Å; W84-W100 HydrophobicContact CZ2-CZ2 4.26Å; W84-W100 HydrophobicContact CZ2-CZ3 4.25Å; W84-W100 AromaticContact CZ3-CH2 3.86Å; W84-W100 HydrophobicContact CZ3-CH2 3.86Å; Y92-W100 AromaticContact CE1-NE1 3.34Å; Y92-W100 VanDerWaalsContact CE1-NE1 3.34Å; Y92-W100 AromaticContact CZ-NE1 3.39Å; Y92-W100 PolarHBondContact OH-NE1 2.8Å; R96-W100 HydrophobicContact CG-CB 4.17Å; R96-W100 HydrophobicContact CG-CG 4.22Å; R96-W100 WeakPolarHBondContact O-CB 3.37Å; R96-W100 PolarHBondContact O-N 2.84Å; W100-Q104 HydrophobicContact CB-CB 4.42Å; W100-Q104 WeakPolarHBondContact CB-O 3.36Å; W100-Q104 HydrophobicContact CE3-CB 4Å; W100-P105 HydrophobicContact CD2-CG 4.37Å; W100-P105 HydrophobicContact CE3-CB 4.09Å; W100-P105 HydrophobicContact CE3-CG 4.26Å; W100-P105 HydrophobicContact CH2-CB 4.09Å; W100-P105 HydrophobicContact CH2-CG 4.18Å; W100-P105 HydrophobicContact CZ2-CG 4.29Å; W100-P105 HydrophobicContact CZ3-CB 3.77Å; W100-P105 HydrophobicContact CZ3-CG 4.17Å; W100-A121 HydrophobicContact CH2-CB 3.77Å; W100-A121 HydrophobicContact CZ3-CB 4.23Å; W100-R128 VanDerWaalsContact C-CZ 3.46Å; W100-R128 PolarHBondContact O-NH1 3.3Å; W100-R128 PolarHBondContact O-NH2 3.32Å; W100-L129 CarbonylContact C-O 3.45Å; W100-L129 WeakPolarHBondContact CA-O 3.5Å; W100-L129 HydrophobicContact CD2-CB 3.52Å; W100-L129 HydrophobicContact CD2-CD1 3.99Å; W100-L129 HydrophobicContact CD2-CG 4.42Å; W100-L129 HydrophobicContact CE3-CB 3.4Å; W100-L129 HydrophobicContact CG-CB 4.07Å; W100-L129 HydrophobicContact CG-CD1 4.41Å; W100-L129 HydrophobicContact CH2-CB 4.21Å; W100-L129 HydrophobicContact CH2-CD1 4.38Å; W100-L129 HydrophobicContact CZ2-CB 4.32Å; W100-L129 HydrophobicContact CZ2-CD1 3.82Å; W100-L129 HydrophobicContact CZ3-CB 3.76Å; W100-D131 HydrophobicContact CZ3-CB 4.18Å
101	V	98.4	Very high	96.5	Very high	26 Å²	26	70.1 Å²	70.1	16%	0.158	39%	0.394	C	S	.	.			trans	-41.1	137.9	170.5	172.3	0	0	0	0	109.9	G103 Q104 H124 R128 L129 N130	V101-G103 PolarHBondContact O-N 3.47Å; V101-Q104 HydrophobicContact CB-CB 4.25Å; V101-Q104 HydrophobicContact CB-CG 3.88Å; V101-Q104 HydrophobicContact CG1-CG 4.2Å; V101-Q104 WeakPolarHBondContact O-CB 3.4Å; V101-Q104 PolarHBondContact O-N 2.94Å; V101-H124 HydrophobicContact CG2-CB 3.82Å; V101-R128 VanDerWaalsContact CA-NH1 3.32Å; V101-R128 HydrophobicContact CG2-CB 3.89Å; V101-L129 WeakPolarHBondContact CG2-O 3.41Å; V101-L129 PolarHBondContact N-O 3.45Å; V101-N130 HydrophobicContact CG2-CB 4.45Å
102	P	97.9	Very high	96.3	Very high	111 Å²	111	69.4 Å²	69.4	72%	0.721	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	128.4	-177.7	-18.3	34.3	0	0	0	109.1
103	G	97.3	Very high	96.1	Very high	56 Å²	56	72.3 Å²	72.3	58%	0.577	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.1	-21.5	-171.4	0	0	0	0	0	114.4	R96 V101	R96-G103 PolarHBondContact NH2-O 3.19Å; V101-G103 PolarHBondContact O-N 3.47Å
104	Q	98	Very high	95.8	Very high	23 Å²	23	68.5 Å²	68.5	11%	0.107	41%	0.405	C	S	.	.			trans	-101.3	150.9	-175.5	-58.2	-60.7	9.7	0	0	114.8	R96 W100 V101 D106 N130 D131	R96-Q104 WeakPolarHBondContact CG-O 3.25Å; R96-Q104 PolarHBondContact NE-O 2.95Å; R96-Q104 PolarHBondContact NH2-O 2.97Å; W100-Q104 HydrophobicContact CB-CB 4.42Å; W100-Q104 WeakPolarHBondContact CB-O 3.36Å; W100-Q104 HydrophobicContact CE3-CB 4Å; V101-Q104 HydrophobicContact CB-CB 4.25Å; V101-Q104 HydrophobicContact CB-CG 3.88Å; V101-Q104 HydrophobicContact CG1-CG 4.2Å; V101-Q104 WeakPolarHBondContact O-CB 3.4Å; V101-Q104 PolarHBondContact O-N 2.94Å; Q104-D106 PolarHBondContact NE2-OD2 2.83Å; Q104-D106 PolarHBondContact OE1-OD1 2.94Å; Q104-D106 PolarHBondContact OE1-OD2 3.39Å; Q104-N130 HydrophobicContact CG-CB 4.44Å; Q104-N130 WeakPolarHBondContact CG-OD1 3.41Å; Q104-N130 PolarHBondContact NE2-OD1 2.85Å; Q104-D131 PolarHBondContact OE1-OD1 2.93Å
105	P	97.3	Very high	95.5	Very high	20 Å²	20	72.8 Å²	72.8	13%	0.13	44%	0.435	C	S	.	.			cis	-76.4	141.8	-3	29.8	-33.2	0	0	0	114.1	W84 R96 W100 D131	W84-P105 HydrophobicContact CZ2-CB 3.64Å; W84-P105 HydrophobicContact CZ2-CG 4.01Å; R96-P105 VanDerWaalsContact CZ-CD 3.45Å; R96-P105 VanDerWaalsContact CZ-N 3.33Å; R96-P105 PolarHBondContact NH1-O 2.93Å; R96-P105 PolarHBondContact NH2-O 2.76Å; W100-P105 HydrophobicContact CD2-CG 4.37Å; W100-P105 HydrophobicContact CE3-CB 4.09Å; W100-P105 HydrophobicContact CE3-CG 4.26Å; W100-P105 HydrophobicContact CH2-CB 4.09Å; W100-P105 HydrophobicContact CH2-CG 4.18Å; W100-P105 HydrophobicContact CZ2-CG 4.29Å; W100-P105 HydrophobicContact CZ3-CB 3.77Å; W100-P105 HydrophobicContact CZ3-CG 4.17Å; P105-D131 WeakPolarHBondContact CA-OD1 3.43Å; P105-D131 HydrophobicContact CB-CB 3.97Å; P105-D131 WeakPolarHBondContact CB-OD1 3.25Å; P105-D131 VanDerWaalsContact CB-OD2 3.25Å; P105-D131 WeakPolarHBondContact CB-OD2 3.42Å
106	D	97.3	Very high	95.4	Very high	79 Å²	79	68.5 Å²	68.5	42%	0.422	43%	0.427	S	S	.	.			trans	-110.4	-6.9	-174.3	71	11.3	0	0	0	114.3	Q104 W108 D131	Q104-D106 PolarHBondContact NE2-OD2 2.83Å; Q104-D106 PolarHBondContact OE1-OD1 2.94Å; Q104-D106 PolarHBondContact OE1-OD2 3.39Å; D106-W108 PolarHBondContact O-N 2.03Å; D106-W108 VanDerWaalsContact OD1-CB 3.27Å; D106-W108 WeakPolarHBondContact OD1-CB 3.05Å; D106-W108 PolarHBondContact OD1-N 2.84Å; D106-W108 VanDerWaalsContact OD1-N 3.07Å; D106-D131 PolarHBondContact N-OD1 2.64Å; D106-D131 PolarHBondContact N-OD2 2.87Å
107	A	96.7	Very high	95.4	Very high	43 Å²	43	65 Å²	65	36%	0.355	42%	0.418	S	S	.	.			trans	49.7	43.5	179.3	0	0	0	0	0	111.8	T109 D117 D131	A107-T109 PolarHBondContact O-N 3.17Å; A107-D117 HydrophobicContact CB-CB 4.15Å; A107-D117 WeakPolarHBondContact O-CB 3.46Å; A107-D131 PolarHBondContact N-OD2 3.31Å
108	W	96	Very high	95.5	Very high	133 Å²	133	61.3 Å²	61.3	50%	0.504	39%	0.391	S	S	.	.			trans	-63.5	130.3	-173.9	-178.3	54.2	0	0	0	112.3	D106 G110 H111 E118	D106-W108 PolarHBondContact O-N 2.03Å; D106-W108 VanDerWaalsContact OD1-CB 3.27Å; D106-W108 WeakPolarHBondContact OD1-CB 3.05Å; D106-W108 PolarHBondContact OD1-N 2.84Å; D106-W108 VanDerWaalsContact OD1-N 3.07Å; W108-G110 VanDerWaalsContact CE2-C 3.42Å; W108-G110 VanDerWaalsContact CE2-CA 3.41Å; W108-G110 WeakPolarHBondContact CH2-O 3.48Å; W108-G110 WeakPolarHBondContact CZ2-O 3.14Å; W108-H111 HydrophobicContact CD2-CB 4.4Å; W108-H111 HydrophobicContact CE3-CB 3.58Å; W108-H111 VanDerWaalsContact CH2-CA 3.4Å; W108-H111 HydrophobicContact CH2-CB 4.05Å; W108-H111 HydrophobicContact CZ3-CB 3.38Å; W108-H111 PolarHBondContact O-CD2 2.71Å; W108-E118 HydrophobicContact CB-CG 4.2Å; W108-E118 VanDerWaalsContact O-CG 3.31Å; W108-E118 WeakPolarHBondContact O-CG 3.1Å
109	T	95.9	Very high	95.6	Very high	104 Å²	104	57.3 Å²	57.3	64%	0.638	38%	0.379	S	S	*	.			trans	-102.7	-4.8	178.8	50.4	0	0	0	0	113.2	A107 H111 D117	A107-T109 PolarHBondContact O-N 3.17Å; T109-H111 VanDerWaalsContact C-N 3.3Å; T109-H111 PolarHBondContact O-N 2.68Å; T109-D117 HydrophobicContact CG2-CB 3.85Å
110	G	93.9	Very high	95.6	Very high	47 Å²	47	55.8 Å²	55.8	49%	0.485	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	9.3	-175	0	0	0	0	0	115.1	W108 G112	W108-G110 VanDerWaalsContact CE2-C 3.42Å; W108-G110 VanDerWaalsContact CE2-CA 3.41Å; W108-G110 WeakPolarHBondContact CH2-O 3.48Å; W108-G110 WeakPolarHBondContact CZ2-O 3.14Å; G110-G112 VanDerWaalsContact C-N 3.27Å; G110-G112 PolarHBondContact O-N 2.84Å
111	H	91.2	Very high	95.6	Very high	26 Å²	26	55.5 Å²	55.5	12%	0.12	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-11	-172	55.5	67.1	0	0	0	115.2	W108 T109 M113 G116 H133	W108-H111 HydrophobicContact CD2-CB 4.4Å; W108-H111 HydrophobicContact CE3-CB 3.58Å; W108-H111 VanDerWaalsContact CH2-CA 3.4Å; W108-H111 HydrophobicContact CH2-CB 4.05Å; W108-H111 HydrophobicContact CZ3-CB 3.38Å; W108-H111 PolarHBondContact O-CD2 2.71Å; T109-H111 VanDerWaalsContact C-N 3.3Å; T109-H111 PolarHBondContact O-N 2.68Å; H111-M113 VanDerWaalsContact C-N 3.28Å; H111-M113 HydrophobicContact CB-CG 4.43Å; H111-M113 WeakPolarHBondContact ND1-CB 3.47Å; H111-M113 PolarHBondContact ND1-N 3.05Å; H111-M113 PolarHBondContact O-N 2.69Å; H111-G116 PolarHBondContact NE2-O 3.14Å; H111-H133 AromaticContact CE1-CD2 3.25Å; H111-H133 PolarHBondContact CE1-CD2 3.41Å; H111-H133 AromaticContact CE1-CG 3.68Å; H111-H133 AromaticContact CE1-NE2 3.8Å; H111-H133 AromaticContact NE2-CD2 3.34Å; H111-H133 PolarHBondContact NE2-CD2 2.98Å; H111-H133 VanDerWaalsContact NE2-CD2 3.34Å; H111-H133 AromaticContact NE2-CG 3.85Å
112	G	94.4	Very high	95.7	Very high	77 Å²	77	54.6 Å²	54.6	79%	0.794	37%	0.366	S	S	*	.	S	Bend	trans	66.9	24.6	177.8	0	0	0	0	0	114.6	G110	G110-G112 VanDerWaalsContact C-N 3.27Å; G110-G112 PolarHBondContact O-N 2.84Å
113	M	93.1	Very high	95.7	Very high	93 Å²	93	49.3 Å²	49.3	46%	0.458	33%	0.332	S	S	.	.	S	Bend	trans	-106.1	14.7	-178.4	-56.2	-164.6	176.7	0	0	113.8	H111 H133	H111-M113 VanDerWaalsContact C-N 3.28Å; H111-M113 HydrophobicContact CB-CG 4.43Å; H111-M113 WeakPolarHBondContact ND1-CB 3.47Å; H111-M113 PolarHBondContact ND1-N 3.05Å; H111-M113 PolarHBondContact O-N 2.69Å; M113-H133 WeakPolarHBondContact CB-ND1 3.27Å; M113-H133 HydrophobicContact SD-CB 3.97Å
114	G	91.4	Very high	95.8	Very high	46 Å²	46	49.6 Å²	49.6	47%	0.474	32%	0.318	S	S	.	.	S	Bend	trans	109.4	-169.8	-176.2	0	0	0	0	0	112.5
115	P	90.4	Very high	95.7	Very high	129 Å²	129	55.2 Å²	55.2	84%	0.838	34%	0.338	S	S	*	.	S	Bend	trans	-70.7	155.7	176.9	31.6	-35.4	0	0	0	111.5
116	G	91.6	Very high	95.7	Very high	44 Å²	44	57.5 Å²	57.5	45%	0.454	36%	0.355	S	S	.	.	S	Bend	trans	104.4	176.5	-176.9	0	0	0	0	0	112.2	H111	H111-G116 PolarHBondContact NE2-O 3.14Å
117	D	95.3	Very high	95.8	Very high	54 Å²	54	54 Å²	54	29%	0.289	34%	0.337	S	S	.	.			trans	-115.8	-163.8	174.7	53.4	-3	0	0	0	110.5	A107 T109 D119	A107-D117 HydrophobicContact CB-CB 4.15Å; A107-D117 WeakPolarHBondContact O-CB 3.46Å; T109-D117 HydrophobicContact CG2-CB 3.85Å; D117-D119 PolarHBondContact O-N 3.32Å
118	E	96.6	Very high	95.8	Very high	10 Å²	10	54.7 Å²	54.7	5%	0.047	33%	0.33	C	S	.	.			trans	-90.6	84.2	-174.7	-57.8	-155.1	125.3	0	0	111.9	W108 C120 D131 V132 H133	W108-E118 HydrophobicContact CB-CG 4.2Å; W108-E118 VanDerWaalsContact O-CG 3.31Å; W108-E118 WeakPolarHBondContact O-CG 3.1Å; E118-C120 PolarHBondContact O-N 3.36Å; E118-D131 HydrophobicContact CB-CB 3.94Å; E118-D131 WeakPolarHBondContact O-CB 3.27Å; E118-D131 VanDerWaalsContact OE2-O 3.07Å; E118-V132 VanDerWaalsContact CD-CA 3.45Å; E118-V132 WeakPolarHBondContact OE1-CA 3.35Å; E118-V132 WeakPolarHBondContact OE1-CG2 3.41Å; E118-H133 PolarHBondContact OE1-N 3.19Å
119	D	98	Very high	96	Very high	44 Å²	44	48.4 Å²	48.4	24%	0.235	31%	0.306	C	S	.	.			trans	-85.4	-1.8	-172.1	-77.3	-50.8	0	0	0	116	T77 D78 G79 D117	T77-D119 WeakPolarHBondContact CA-O 3.02Å; T77-D119 VanDerWaalsContact CB-O 3.31Å; T77-D119 WeakPolarHBondContact CB-O 3.49Å; T77-D119 PolarHBondContact OG1-O 2.88Å; D78-D119 PolarHBondContact N-O 2.86Å; D78-D119 VanDerWaalsContact N-O 3.15Å; D78-D119 WeakPolarHBondContact OD1-CA 3.48Å; D78-D119 VanDerWaalsContact OD1-O 3.12Å; G79-D119 WeakPolarHBondContact CA-OD1 3.37Å; D117-D119 PolarHBondContact O-N 3.32Å
120	C	98.8	Very high	96.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.007	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	128.7	-169.2	-73.1	0	0	0	0	112.3	W37 W73 E118 D131 V132 C134	W37-C120 HydrophobicContact CB-CB 4.1Å; W37-C120 VanDerWaalsContact CB-SG 3.57Å; W37-C120 HydrophobicContact CG-CB 3.88Å; W73-C120 HydrophobicContact CE3-CB 4.35Å; W73-C120 HydrophobicContact CH2-CB 3.86Å; W73-C120 HydrophobicContact CZ3-CB 3.61Å; W73-C120 WeakPolarHBondContact CZ3-O 3.48Å; E118-C120 PolarHBondContact O-N 3.36Å; C120-D131 CarbonylContact O-C 3.58Å; C120-D131 WeakPolarHBondContact O-CA 3.31Å; C120-V132 PolarHBondContact O-N 3.08Å; C120-V132 VanDerWaalsContact O-O 3.13Å; C120-C134 HydrophobicContact CB-CB 3.91Å; C120-C134 WeakPolarHBondContact CB-SG 3.41Å; C120-C134 WeakPolarHBondContact SG-CB 3.12Å; C120-C134 CovalentContact SG-SG 2.03Å; C120-C134 PolarHBondContact SG-SG 2.82Å
121	A	98.8	Very high	96.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	142.7	-179.3	0	0	0	0	0	112.9	V74 L76 W84 W100 L129 N130	V74-A121 HydrophobicContact CG2-CB 4.11Å; V74-A121 WeakPolarHBondContact CG2-O 3.22Å; V74-A121 PolarHBondContact N-O 3.27Å; L76-A121 HydrophobicContact CB-CB 3.9Å; L76-A121 HydrophobicContact CD2-CB 3.89Å; L76-A121 HydrophobicContact CG-CB 3.97Å; L76-A121 PolarHBondContact O-N 3.32Å; W84-A121 HydrophobicContact CH2-CB 4.24Å; W84-A121 HydrophobicContact CZ3-CB 3.77Å; W100-A121 HydrophobicContact CH2-CB 3.77Å; W100-A121 HydrophobicContact CZ3-CB 4.23Å; A121-L129 HydrophobicContact CB-CD2 4.32Å; A121-N130 CarbonylContact C-O 3.57Å; A121-N130 WeakPolarHBondContact CA-O 3.12Å
122	H	98.9	Very high	96.6	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.032	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	158.2	169.5	75.4	91.2	0	0	0	111.1	Y72 W73 H124 L129 N130 L138	Y72-H122 CarbonylContact O-C 3.56Å; Y72-H122 WeakPolarHBondContact O-CA 3.48Å; Y72-H122 VanDerWaalsContact O-CB 3.27Å; Y72-H122 WeakPolarHBondContact O-CB 3.38Å; W73-H122 HydrophobicContact CD2-CB 4.47Å; W73-H122 HydrophobicContact CE3-CB 3.66Å; W73-H122 HydrophobicContact CZ3-CB 3.99Å; H122-H124 PolarHBondContact O-N 3.28Å; H122-L129 CarbonylContact O-C 3.3Å; H122-L129 WeakPolarHBondContact O-CA 3.46Å; H122-N130 PolarHBondContact CD2-O 3.03Å; H122-N130 PolarHBondContact N-O 2.68Å; H122-N130 PolarHBondContact NE2-ND2 3.03Å; H122-N130 PolarHBondContact O-N 3.15Å; H122-L138 HydrophobicContact CB-CD1 3.64Å
123	L	98.8	Very high	96.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	122.9	163.9	-69.4	171.2	0	0	0	109.1	L54 W60 V63 T64 L71 Y72 V74 L129 I141	L54-L123 HydrophobicContact CD1-CD2 4.41Å; W60-L123 HydrophobicContact CZ2-CD2 4.01Å; V63-L123 HydrophobicContact CG1-CD1 3.47Å; V63-L123 VanDerWaalsContact CG1-CD1 3.47Å; T64-L123 HydrophobicContact CG2-CD2 4.34Å; L71-L123 WeakPolarHBondContact CA-O 3.15Å; Y72-L123 PolarHBondContact N-O 3.37Å; Y72-L123 PolarHBondContact O-N 3.4Å; V74-L123 HydrophobicContact CG1-CD1 3.98Å; V74-L123 HydrophobicContact CG1-CG 3.72Å; L123-L129 HydrophobicContact CD2-CD2 4.2Å; L123-I141 HydrophobicContact CD1-CD1 4.03Å
124	H	98.4	Very high	97.1	Very high	62 Å²	62	36.2 Å²	36.2	29%	0.287	21%	0.213	S	C	.	.			trans	-79.5	170.5	173.9	-175.1	-103.2	0	0	0	110.9	V101 H122 S126 G127 R128 N130	V101-H124 HydrophobicContact CG2-CB 3.82Å; H122-H124 PolarHBondContact O-N 3.28Å; H124-S126 PolarHBondContact ND1-OG 2.85Å; H124-S126 PolarHBondContact O-N 3.05Å; H124-G127 PolarHBondContact O-N 2.97Å; H124-R128 WeakPolarHBondContact CB-O 3.39Å; H124-R128 PolarHBondContact N-O 3.3Å; H124-N130 HydrophobicContact CB-CB 4.2Å
125	R	97.8	Very high	97.4	Very high	141 Å²	141	37.6 Å²	37.6	53%	0.532	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.3	178.6	-50.8	-171.7	172.6	-91.5	8.6	114.3	V68 P69 L71	V68-R125 WeakPolarHBondContact CG1-O 3.27Å; P69-R125 WeakPolarHBondContact O-CG 3.25Å; P69-R125 PolarHBondContact O-NH1 2.92Å; L71-R125 HydrophobicContact CD2-CG 3.73Å
126	S	97.4	Very high	97.7	Very high	68 Å²	68	32.7 Å²	32.7	48%	0.476	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-1.9	175.8	53.3	0	0	0	0	114	H124 R128	H124-S126 PolarHBondContact ND1-OG 2.85Å; H124-S126 PolarHBondContact O-N 3.05Å; S126-R128 PolarHBondContact O-N 3.34Å
127	G	97.6	Very high	98.1	Very high	5 Å²	5	32.5 Å²	32.5	5%	0.052	18%	0.181	C	C	.	.	S	Bend	trans	75.8	6.4	-172	0	0	0	0	0	114.3	W60 T64 H124	W60-G127 PolarHBondContact NE1-O 3.25Å; T64-G127 WeakPolarHBondContact CG2-O 3.38Å; H124-G127 PolarHBondContact O-N 2.97Å
128	R	98.5	Very high	98.2	Very high	58 Å²	58	30.4 Å²	30.4	22%	0.219	17%	0.17	C	C	.	.	S	Bend	trans	-100.8	155.5	176.7	-60	-177.4	84.7	-130.6	-2.6	109.9	S97 R99 W100 V101 H124 S126	S97-R128 PolarHBondContact O-NH2 3.41Å; R99-R128 CarbonylContact O-C 3.57Å; R99-R128 WeakPolarHBondContact O-CA 3.44Å; R99-R128 VanDerWaalsContact O-CB 3.25Å; R99-R128 WeakPolarHBondContact O-CB 3.19Å; W100-R128 VanDerWaalsContact C-CZ 3.46Å; W100-R128 PolarHBondContact O-NH1 3.3Å; W100-R128 PolarHBondContact O-NH2 3.32Å; V101-R128 VanDerWaalsContact CA-NH1 3.32Å; V101-R128 HydrophobicContact CG2-CB 3.89Å; H124-R128 WeakPolarHBondContact CB-O 3.39Å; H124-R128 PolarHBondContact N-O 3.3Å; S126-R128 PolarHBondContact O-N 3.34Å
129	L	98.8	Very high	98.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	144.4	177.9	-62.7	171.6	0	0	0	111.4	W60 V74 L76 Y92 R99 W100 V101 A121 H122 L123	W60-L129 HydrophobicContact CH2-CD1 3.83Å; W60-L129 HydrophobicContact CH2-CD2 4.04Å; W60-L129 HydrophobicContact CH2-CG 3.92Å; W60-L129 HydrophobicContact CZ2-CD1 4.15Å; W60-L129 HydrophobicContact CZ2-CD2 3.94Å; W60-L129 HydrophobicContact CZ2-CG 3.76Å; V74-L129 HydrophobicContact CG2-CD2 3.81Å; L76-L129 HydrophobicContact CD2-CD1 3.56Å; L76-L129 HydrophobicContact CD2-CD2 4.41Å; Y92-L129 HydrophobicContact CE2-CD1 3.94Å; R99-L129 HydrophobicContact CB-CD1 4.36Å; R99-L129 PolarHBondContact O-N 3.34Å; W100-L129 CarbonylContact C-O 3.45Å; W100-L129 WeakPolarHBondContact CA-O 3.5Å; W100-L129 HydrophobicContact CD2-CB 3.52Å; W100-L129 HydrophobicContact CD2-CD1 3.99Å; W100-L129 HydrophobicContact CD2-CG 4.42Å; W100-L129 HydrophobicContact CE3-CB 3.4Å; W100-L129 HydrophobicContact CG-CB 4.07Å; W100-L129 HydrophobicContact CG-CD1 4.41Å; W100-L129 HydrophobicContact CH2-CB 4.21Å; W100-L129 HydrophobicContact CH2-CD1 4.38Å; W100-L129 HydrophobicContact CZ2-CB 4.32Å; W100-L129 HydrophobicContact CZ2-CD1 3.82Å; W100-L129 HydrophobicContact CZ3-CB 3.76Å; V101-L129 WeakPolarHBondContact CG2-O 3.41Å; V101-L129 PolarHBondContact N-O 3.45Å; A121-L129 HydrophobicContact CB-CD2 4.32Å; H122-L129 CarbonylContact O-C 3.3Å; H122-L129 WeakPolarHBondContact O-CA 3.46Å; L123-L129 HydrophobicContact CD2-CD2 4.2Å
130	N	98.7	Very high	98.4	Very high	22 Å²	22	31 Å²	31	12%	0.118	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.2	166.4	178.6	84.9	0	0	0	106.4	V101 Q104 A121 H122 H124	V101-N130 HydrophobicContact CG2-CB 4.45Å; Q104-N130 HydrophobicContact CG-CB 4.44Å; Q104-N130 WeakPolarHBondContact CG-OD1 3.41Å; Q104-N130 PolarHBondContact NE2-OD1 2.85Å; A121-N130 CarbonylContact C-O 3.57Å; A121-N130 WeakPolarHBondContact CA-O 3.12Å; H122-N130 PolarHBondContact CD2-O 3.03Å; H122-N130 PolarHBondContact N-O 2.68Å; H122-N130 PolarHBondContact NE2-ND2 3.03Å; H122-N130 PolarHBondContact O-N 3.15Å; H124-N130 HydrophobicContact CB-CB 4.2Å
131	D	98.5	Very high	98.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	142.1	168.4	52.8	-35.8	0	0	0	108.9	W84 W100 Q104 P105 D106 A107 E118 C120	W84-D131 HydrophobicContact CH2-CB 3.7Å; W84-D131 HydrophobicContact CZ2-CB 3.85Å; W100-D131 HydrophobicContact CZ3-CB 4.18Å; Q104-D131 PolarHBondContact OE1-OD1 2.93Å; P105-D131 WeakPolarHBondContact CA-OD1 3.43Å; P105-D131 HydrophobicContact CB-CB 3.97Å; P105-D131 WeakPolarHBondContact CB-OD1 3.25Å; P105-D131 VanDerWaalsContact CB-OD2 3.25Å; P105-D131 WeakPolarHBondContact CB-OD2 3.42Å; D106-D131 PolarHBondContact N-OD1 2.64Å; D106-D131 PolarHBondContact N-OD2 2.87Å; A107-D131 PolarHBondContact N-OD2 3.31Å; E118-D131 HydrophobicContact CB-CB 3.94Å; E118-D131 WeakPolarHBondContact O-CB 3.27Å; E118-D131 VanDerWaalsContact OE2-O 3.07Å; C120-D131 CarbonylContact O-C 3.58Å; C120-D131 WeakPolarHBondContact O-CA 3.31Å
132	V	98	Very high	98.4	Very high	22 Å²	22	30.9 Å²	30.9	13%	0.133	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.8	171.2	75.5	0	0	0	0	109.3	W73 E118 C120 C134 L138	W73-V132 HydrophobicContact CH2-CG1 3.16Å; W73-V132 HydrophobicContact CZ2-CG1 4.12Å; W73-V132 HydrophobicContact CZ3-CG1 3.5Å; W73-V132 VanDerWaalsContact CZ3-CG1 3.5Å; E118-V132 VanDerWaalsContact CD-CA 3.45Å; E118-V132 WeakPolarHBondContact OE1-CA 3.35Å; E118-V132 WeakPolarHBondContact OE1-CG2 3.41Å; C120-V132 PolarHBondContact O-N 3.08Å; C120-V132 VanDerWaalsContact O-O 3.13Å; V132-C134 PolarHBondContact O-N 2.78Å; V132-L138 HydrophobicContact CG1-CD1 4.09Å
133	H	98.1	Very high	98.4	Very high	19 Å²	19	31 Å²	31	9%	0.088	17%	0.168	C	C	.	.			trans	-50.5	126.6	177.9	-174.7	-98.9	0	0	0	111.6	H111 M113 E118 S135 T136	H111-H133 AromaticContact CE1-CD2 3.25Å; H111-H133 PolarHBondContact CE1-CD2 3.41Å; H111-H133 AromaticContact CE1-CG 3.68Å; H111-H133 AromaticContact CE1-NE2 3.8Å; H111-H133 AromaticContact NE2-CD2 3.34Å; H111-H133 PolarHBondContact NE2-CD2 2.98Å; H111-H133 VanDerWaalsContact NE2-CD2 3.34Å; H111-H133 AromaticContact NE2-CG 3.85Å; M113-H133 WeakPolarHBondContact CB-ND1 3.27Å; M113-H133 HydrophobicContact SD-CB 3.97Å; E118-H133 PolarHBondContact OE1-N 3.19Å; H133-S135 PolarHBondContact CE1-OG 2.99Å; H133-S135 WeakPolarHBondContact ND1-CB 3.18Å; H133-S135 PolarHBondContact O-N 3.26Å; H133-T136 VanDerWaalsContact O-CB 3.3Å; H133-T136 WeakPolarHBondContact O-CB 3.31Å; H133-T136 PolarHBondContact O-N 3.21Å; H133-T136 PolarHBondContact O-OG1 2.77Å
134	C	98.3	Very high	98.3	Very high	27 Å²	27	33.2 Å²	33.2	18%	0.182	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.6	-167.9	-65.2	0	0	0	0	115	N36 W37 C120 V132 T136	N36-C134 WeakPolarHBondContact CB-O 3.45Å; W37-C134 HydrophobicContact CB-CB 4.3Å; W37-C134 PolarHBondContact N-O 2.84Å; C120-C134 HydrophobicContact CB-CB 3.91Å; C120-C134 WeakPolarHBondContact CB-SG 3.41Å; C120-C134 WeakPolarHBondContact SG-CB 3.12Å; C120-C134 CovalentContact SG-SG 2.03Å; C120-C134 PolarHBondContact SG-SG 2.82Å; V132-C134 PolarHBondContact O-N 2.78Å; C134-T136 VanDerWaalsContact C-N 3.26Å; C134-T136 PolarHBondContact O-N 2.71Å
135	S	97.6	Very high	98.1	Very high	76 Å²	76	34.4 Å²	34.4	53%	0.531	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-8.7	177.8	-61.4	0	0	0	0	113.6	H133 G137	H133-S135 PolarHBondContact CE1-OG 2.99Å; H133-S135 WeakPolarHBondContact ND1-CB 3.18Å; H133-S135 PolarHBondContact O-N 3.26Å; S135-G137 PolarHBondContact O-N 3.18Å
136	T	98	Very high	97.7	Very high	26 Å²	26	28.6 Å²	28.6	16%	0.16	17%	0.171	C	C	.	.	S	Bend	trans	-61.8	132.3	179.4	-57.2	0	0	0	0	111.3	N36 W73 H133 C134 L138	N36-T136 WeakPolarHBondContact CA-O 3.46Å; W73-T136 WeakPolarHBondContact CZ2-O 3.45Å; W73-T136 PolarHBondContact NE1-O 2.91Å; H133-T136 VanDerWaalsContact O-CB 3.3Å; H133-T136 WeakPolarHBondContact O-CB 3.31Å; H133-T136 PolarHBondContact O-N 3.21Å; H133-T136 PolarHBondContact O-OG1 2.77Å; C134-T136 VanDerWaalsContact C-N 3.26Å; C134-T136 PolarHBondContact O-N 2.71Å; T136-L138 HydrophobicContact CG2-CD2 3.82Å; T136-L138 HydrophobicContact CG2-CG 3.91Å; T136-L138 PolarHBondContact O-N 3.37Å
137	G	98.5	Very high	97.1	Very high	39 Å²	39	28.7 Å²	28.7	40%	0.402	17%	0.168	S	C	.	.			trans	-78.4	106.6	173.9	0	0	0	0	0	111.2	Q34 S135	Q34-G137 PolarHBondContact OE1-O 2.72Å; S135-G137 PolarHBondContact O-N 3.18Å
138	L	98.8	Very high	95.2	Very high	11 Å²	11	36.1 Å²	36.1	6%	0.058	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-126.6	163.4	174.9	-56	-179.6	0	0	0	111.2	Q34 L35 L71 W73 H122 V132 T136	Q34-L138 CarbonylContact C-O 3.52Å; Q34-L138 WeakPolarHBondContact CA-O 3.36Å; L35-L138 PolarHBondContact N-O 3.13Å; L35-L138 PolarHBondContact O-N 3.34Å; L35-L138 VanDerWaalsContact O-O 3.09Å; L71-L138 HydrophobicContact CB-CD1 4.4Å; L71-L138 HydrophobicContact CB-CD2 3.97Å; L71-L138 HydrophobicContact CD1-CD2 4.01Å; W73-L138 HydrophobicContact CD2-CB 4.15Å; W73-L138 HydrophobicContact CD2-CD1 3.85Å; W73-L138 HydrophobicContact CD2-CG 4.34Å; W73-L138 HydrophobicContact CE3-CD1 3.94Å; W73-L138 HydrophobicContact CG-CB 4.17Å; W73-L138 HydrophobicContact CH2-CD1 3.99Å; W73-L138 HydrophobicContact CZ2-CD1 3.85Å; W73-L138 HydrophobicContact CZ2-CG 4.03Å; W73-L138 HydrophobicContact CZ3-CD1 3.99Å; H122-L138 HydrophobicContact CB-CD1 3.64Å; V132-L138 HydrophobicContact CG1-CD1 4.09Å; T136-L138 HydrophobicContact CG2-CD2 3.82Å; T136-L138 HydrophobicContact CG2-CG 3.91Å; T136-L138 PolarHBondContact O-N 3.37Å
139	R	98.9	Very high	95.1	Very high	65 Å²	65	35 Å²	35	25%	0.245	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	167	165.2	-62.3	179.5	171.8	81.2	1.3	109	S31 Q32 Q34 L71 Y72 W73	S31-R139 WeakPolarHBondContact O-CD 3.4Å; S31-R139 WeakPolarHBondContact OG-CA 3.33Å; S31-R139 WeakPolarHBondContact OG-CB 3.37Å; Q32-R139 PolarHBondContact O-NE 3.25Å; Q34-R139 HydrophobicContact CG-CG 3.94Å; L71-R139 WeakPolarHBondContact O-CB 3.37Å; L71-R139 PolarHBondContact O-N 3.37Å; Y72-R139 CarbonylContact C-O 3.41Å; Y72-R139 VanDerWaalsContact CA-O 3.25Å; Y72-R139 WeakPolarHBondContact CA-O 3.37Å; Y72-R139 HydrophobicContact CD1-CB 3.43Å; Y72-R139 VanDerWaalsContact CD1-CB 3.43Å; Y72-R139 HydrophobicContact CE1-CB 3.35Å; Y72-R139 HydrophobicContact CE1-CG 4.25Å; Y72-R139 HydrophobicContact CG-CB 4.06Å; W73-R139 PolarHBondContact N-O 3.07Å
140	F	98.9	Very high	94.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	156.2	-177.4	58.7	-92.1	0	0	0	111.1	F29 S31 Q33 L35 S40 W43 L51 W73	F29-F140 HydrophobicContact CD1-CE2 4.45Å; F29-F140 HydrophobicContact CE1-CE2 4.34Å; S31-F140 WeakPolarHBondContact CB-O 3.18Å; S31-F140 PolarHBondContact N-O 2.97Å; S31-F140 WeakPolarHBondContact OG-CD1 3.33Å; S31-F140 PolarHBondContact OG-N 3.46Å; S31-F140 PolarHBondContact OG-O 3.13Å; Q33-F140 HydrophobicContact CG-CE1 3.88Å; Q33-F140 HydrophobicContact CG-CZ 4.31Å; L35-F140 HydrophobicContact CB-CD1 4.39Å; L35-F140 HydrophobicContact CB-CE1 4.3Å; L35-F140 HydrophobicContact CD1-CD1 4.49Å; L35-F140 HydrophobicContact CD1-CE1 3.68Å; L35-F140 HydrophobicContact CD1-CZ 4.22Å; L35-F140 HydrophobicContact CG-CE1 4.08Å; S40-F140 VanDerWaalsContact OG-CD1 3.31Å; S40-F140 WeakPolarHBondContact OG-CD1 3.42Å; W43-F140 HydrophobicContact CB-CE2 4.25Å; W43-F140 HydrophobicContact CB-CZ 4.06Å; W43-F140 AromaticContact CD2-CE2 3.75Å; W43-F140 HydrophobicContact CD2-CE2 3.75Å; W43-F140 AromaticContact CD2-CZ 3.66Å; W43-F140 HydrophobicContact CD2-CZ 3.66Å; W43-F140 AromaticContact CE3-CE2 3.44Å; W43-F140 HydrophobicContact CE3-CE2 3.44Å; W43-F140 VanDerWaalsContact CE3-CE2 3.44Å; W43-F140 AromaticContact CE3-CZ 3.87Å; W43-F140 HydrophobicContact CE3-CZ 3.87Å; W43-F140 HydrophobicContact CG-CE2 4.11Å; W43-F140 AromaticContact CG-CZ 3.74Å; W43-F140 HydrophobicContact CG-CZ 3.74Å; W43-F140 HydrophobicContact CZ3-CE2 4.01Å; L51-F140 HydrophobicContact CD2-CB 3.81Å; L51-F140 HydrophobicContact CD2-CD2 4.49Å; W73-F140 HydrophobicContact CB-CB 3.87Å
141	I	98.9	Very high	94.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.7	179.5	-53.3	170.9	0	0	0	108	F29 F30 L51 V52 V63 Y72 W73 L123	F29-I141 CarbonylContact O-C 3.45Å; F29-I141 VanDerWaalsContact O-CA 3.25Å; F29-I141 WeakPolarHBondContact O-CA 3.12Å; F30-I141 HydrophobicContact CD1-CD1 3.82Å; F30-I141 HydrophobicContact CD1-CG1 3.81Å; F30-I141 HydrophobicContact CD1-CG2 4.34Å; F30-I141 HydrophobicContact CE1-CD1 3.65Å; F30-I141 HydrophobicContact CE1-CG1 4.08Å; F30-I141 HydrophobicContact CE1-CG2 4.21Å; F30-I141 HydrophobicContact CZ-CG2 4.37Å; L51-I141 CarbonylContact C-O 3.47Å; L51-I141 WeakPolarHBondContact CA-O 3.39Å; V52-I141 HydrophobicContact CB-CB 4.06Å; V52-I141 HydrophobicContact CB-CG2 3.83Å; V52-I141 HydrophobicContact CG1-CB 3.69Å; V52-I141 HydrophobicContact CG1-CD1 4.44Å; V52-I141 HydrophobicContact CG1-CG2 3.92Å; V52-I141 HydrophobicContact CG2-CG2 4.34Å; V52-I141 PolarHBondContact N-O 3.26Å; V63-I141 HydrophobicContact CG1-CD1 3.59Å; Y72-I141 HydrophobicContact CD1-CD1 4.07Å; Y72-I141 HydrophobicContact CD1-CG1 3.45Å; Y72-I141 VanDerWaalsContact CD1-CG1 3.45Å; Y72-I141 HydrophobicContact CE1-CG1 4.22Å; Y72-I141 HydrophobicContact CG-CD1 3.93Å; Y72-I141 HydrophobicContact CG-CG1 3.82Å; W73-I141 PolarHBondContact O-N 3.45Å; L123-I141 HydrophobicContact CD1-CD1 4.03Å
142	C	98.9	Very high	94.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	148.7	171.5	-52.3	0	0	0	0	110.7	W20 Y28 F29 W43 C44 A49 H50	W20-C142 HydrophobicContact CH2-CB 3.55Å; W20-C142 HydrophobicContact CZ2-CB 4.48Å; W20-C142 HydrophobicContact CZ3-CB 3.95Å; Y28-C142 CarbonylContact C-O 3.56Å; Y28-C142 VanDerWaalsContact CA-O 3.27Å; Y28-C142 WeakPolarHBondContact CA-O 3.44Å; F29-C142 HydrophobicContact CB-CB 4.2Å; F29-C142 PolarHBondContact N-O 3.18Å; F29-C142 PolarHBondContact O-N 2.92Å; W43-C142 VanDerWaalsContact CE3-SG 3.56Å; C44-C142 WeakPolarHBondContact CA-SG 3.45Å; C44-C142 HydrophobicContact CB-CB 3.73Å; C44-C142 WeakPolarHBondContact CB-SG 3.42Å; C44-C142 VanDerWaalsContact SG-CA 3.53Å; C44-C142 WeakPolarHBondContact SG-CB 3.43Å; C44-C142 CovalentContact SG-SG 2.04Å; C44-C142 PolarHBondContact SG-SG 3.04Å; A49-C142 HydrophobicContact CB-CB 4.07Å; H50-C142 CarbonylContact O-C 3.44Å; H50-C142 WeakPolarHBondContact O-CA 2.96Å
143	Q	98.5	Very high	94.2	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.037	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	140.9	174.7	179.3	179.9	12.6	0	0	110	D26 C27 Y28 A49 H50 V52 I53 E59	D26-Q143 HydrophobicContact CB-CG 4.12Å; D26-Q143 PolarHBondContact OD2-NE2 2.61Å; C27-Q143 WeakPolarHBondContact O-CA 3.11Å; Y28-Q143 HydrophobicContact CD1-CB 4.27Å; Y28-Q143 HydrophobicContact CD1-CG 4.31Å; Y28-Q143 HydrophobicContact CE1-CB 4.26Å; Y28-Q143 HydrophobicContact CE1-CG 3.89Å; Y28-Q143 PolarHBondContact OH-NE2 3.23Å; A49-Q143 WeakPolarHBondContact CA-O 3.44Å; A49-Q143 VanDerWaalsContact CB-O 3.26Å; A49-Q143 WeakPolarHBondContact CB-O 3.35Å; H50-Q143 PolarHBondContact CE1-OE1 3.5Å; H50-Q143 PolarHBondContact N-O 2.76Å; H50-Q143 PolarHBondContact O-N 2.93Å; V52-Q143 HydrophobicContact CB-CB 4.27Å; V52-Q143 HydrophobicContact CG2-CB 4.17Å; I53-Q143 PolarHBondContact O-OE1 3.39Å; I53-Q143 VanDerWaalsContact O-OE1 3.1Å; E59-Q143 PolarHBondContact OE1-NE2 2.78Å
144	R	97.1	Very high	93.9	Very high	47 Å²	47	42.4 Å²	42.4	18%	0.177	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.9	170.1	62.5	-178	-72	176.6	-8.1	110.5	W20 D26 C27 K47 A49 S146	W20-R144 HydrophobicContact CE3-CG 3.86Å; W20-R144 HydrophobicContact CH2-CG 4.14Å; W20-R144 HydrophobicContact CZ3-CB 4.33Å; W20-R144 HydrophobicContact CZ3-CG 3.56Å; D26-R144 CarbonylContact C-O 3.56Å; D26-R144 WeakPolarHBondContact CA-O 3.47Å; C27-R144 HydrophobicContact CB-CG 3.92Å; C27-R144 PolarHBondContact N-O 2.87Å; C27-R144 PolarHBondContact O-N 2.87Å; K47-R144 PolarHBondContact O-NH1 3.01Å; A49-R144 HydrophobicContact CB-CB 3.85Å; A49-R144 HydrophobicContact CB-CG 4.41Å; R144-S146 PolarHBondContact O-N 2.67Å
145	P	94.9	Very high	93.6	Very high	87 Å²	87	43.5 Å²	43.5	57%	0.565	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.3	139.4	170.4	-24.8	34.8	0	0	0	111.8	D26	D26-P145 WeakPolarHBondContact OD1-CA 3.22Å
146	S	89.2	Confident	93.3	Very high	20 Å²	20	41 Å²	41	14%	0.14	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-64.7	146.2	164.7	59.4	0	0	0	0	110.3	P14 C15 S25 C27 R144	P14-S146 WeakPolarHBondContact CB-OG 3.37Å; C15-S146 WeakPolarHBondContact O-CA 3.49Å; C15-S146 WeakPolarHBondContact O-CB 3.36Å; S25-S146 VanDerWaalsContact C-OG 3.25Å; S25-S146 WeakPolarHBondContact O-CB 3.4Å; S25-S146 PolarHBondContact O-N 2.99Å; S25-S146 PolarHBondContact O-OG 3.4Å; C27-S146 VanDerWaalsContact SG-CA 3.51Å; R144-S146 PolarHBondContact O-N 2.67Å
147	T	83.6	Confident	92.9	Very high	69 Å²	69	42.3 Å²	42.3	42%	0.423	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-97.6	136.3	179.4	53.5	0	0	0	0	109.2	C15	C15-T147 PolarHBondContact N-O 2.82Å; C15-T147 PolarHBondContact O-N 3.4Å; C15-T147 PolarHBondContact O-OG1 3.22Å
148	N	59.2	Low	92.4	Very high	161 Å²	161	42.5 Å²	42.5	86%	0.861	23%	0.228	S	C	*	.			trans	-74.3	0	166.4	-69.6	-19	0	0	0	111

Retrieved 148 of 148 residues in 34.2 ms (Link to these results)

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