A0A077Z7R2_TRITR Loading...

Thioredoxin 7 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7R2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 115 aa.

						>A0A077Z7R2_TRITR|A0A077Z7R2
MELLRRQCYTNKPNWCTVAGWGDDIAWVSFEDVAKFFRKRPMFLLIHKSWCPACQALKPKFTKAKQIVELSKYFVMVNAQDDEEPWEEVYKPDGAYIPRILFLGILKFSTAALFD
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.6	Low	54.9	Low	188 Å²	188	132.4 Å²	132.4	93%	0.926	62%	0.616	S	S	*	*				0	-55.5	0	-66.2	-68.7	-157.3	0	0	111.3	L3 L4 R5	M1-L3 PolarHBondContact O-N 3.23Å; M1-L4 PolarHBondContact O-N 2.72Å; M1-R5 PolarHBondContact O-N 2.95Å
2	E	57.2	Low	54.5	Low	150 Å²	150	132.8 Å²	132.8	70%	0.701	62%	0.615	S	S	*	*	H	α-helix	trans	-52.3	-43.3	-179.1	-141.4	88.5	-163.3	0	0	115.3	R5 R6	E2-R5 PolarHBondContact O-N 2.8Å; E2-R6 PolarHBondContact O-N 3.17Å
3	L	58.2	Low	54.3	Low	137 Å²	137	131.2 Å²	131.2	72%	0.717	62%	0.623	S	S	*	*	H	α-helix	trans	-69	-38.6	-175.9	-79.1	162.4	0	0	0	113	M1 R6 Q7	M1-L3 PolarHBondContact O-N 3.23Å; L3-R6 PolarHBondContact O-N 3.11Å; L3-Q7 PolarHBondContact O-N 2.88Å
4	L	55.3	Low	54.6	Low	93 Å²	93	127.2 Å²	127.2	49%	0.487	61%	0.608	S	S	.	*	H	α-helix	trans	-68.6	-41.8	176	-69	164.2	0	0	0	110.2	M1 R6 Q7 C8 W15	M1-L4 PolarHBondContact O-N 2.72Å; L4-R6 VanDerWaalsContact C-N 3.27Å; L4-R6 PolarHBondContact O-N 3Å; L4-Q7 PolarHBondContact O-N 2.76Å; L4-Q7 VanDerWaalsContact O-N 3.17Å; L4-C8 WeakPolarHBondContact O-CB 3.47Å; L4-C8 PolarHBondContact O-N 2.93Å; L4-W15 HydrophobicContact CB-CH2 4.36Å; L4-W15 HydrophobicContact CB-CZ2 4.21Å; L4-W15 HydrophobicContact CD2-CH2 3.71Å; L4-W15 HydrophobicContact CD2-CZ2 4.07Å
5	R	56.4	Low	54.7	Low	163 Å²	163	125.4 Å²	125.4	62%	0.615	59%	0.592	S	S	*	*	H	α-helix	trans	-65.1	-28.6	175.2	-152.4	-173.4	-83.1	169.8	-8.3	112.4	M1 E2 C8	M1-R5 PolarHBondContact O-N 2.95Å; E2-R5 PolarHBondContact O-N 2.8Å; R5-C8 WeakPolarHBondContact O-CB 3.44Å
6	R	55.4	Low	55.2	Low	180 Å²	180	119.5 Å²	119.5	68%	0.679	57%	0.568	S	S	*	*	H	α-helix	trans	-72.8	-40.1	169.7	-98.3	-178	172.6	165.3	-0.3	113.5	E2 L3 L4 C8 Y9 T10	E2-R6 PolarHBondContact O-N 3.17Å; L3-R6 PolarHBondContact O-N 3.11Å; L4-R6 VanDerWaalsContact C-N 3.27Å; L4-R6 PolarHBondContact O-N 3Å; R6-C8 PolarHBondContact O-N 3.12Å; R6-Y9 PolarHBondContact O-N 2.93Å; R6-T10 WeakPolarHBondContact O-CB 3.4Å; R6-T10 WeakPolarHBondContact O-CG2 3.5Å; R6-T10 PolarHBondContact O-N 3.02Å; R6-T10 PolarHBondContact O-OG1 3.02Å
7	Q	53.6	Low	56.4	Low	105 Å²	105	113.1 Å²	113.1	49%	0.491	54%	0.539	S	S	.	.	H	α-helix	trans	-62.2	-32.9	175.7	-80.8	175.2	-27.3	0	0	111.7	L3 L4 T10 N11 W15	L3-Q7 PolarHBondContact O-N 2.88Å; L4-Q7 PolarHBondContact O-N 2.76Å; L4-Q7 VanDerWaalsContact O-N 3.17Å; Q7-T10 PolarHBondContact O-N 3.04Å; Q7-N11 PolarHBondContact O-N 2.86Å; Q7-W15 VanDerWaalsContact C-NE1 3.35Å; Q7-W15 HydrophobicContact CB-CZ2 4.39Å
8	C	59	Low	57.9	Low	14 Å²	14	107 Å²	107	10%	0.095	51%	0.51	C	S	.	.	H	α-helix	trans	-51.8	-51.5	173.1	-99.3	0	0	0	0	114.9	L4 R5 R6 W15 C16	L4-C8 WeakPolarHBondContact O-CB 3.47Å; L4-C8 PolarHBondContact O-N 2.93Å; R5-C8 WeakPolarHBondContact O-CB 3.44Å; R6-C8 PolarHBondContact O-N 3.12Å; C8-W15 PolarHBondContact SG-NE1 2.91Å; C8-C16 WeakPolarHBondContact CA-SG 3.41Å; C8-C16 HydrophobicContact CB-CB 4.11Å; C8-C16 WeakPolarHBondContact CB-SG 3.42Å; C8-C16 WeakPolarHBondContact SG-CA 3.37Å; C8-C16 WeakPolarHBondContact SG-CB 3.23Å; C8-C16 CovalentContact SG-SG 1.98Å; C8-C16 PolarHBondContact SG-SG 3.31Å
9	Y	51.6	Low	59.4	Low	199 Å²	199	102.2 Å²	102.2	78%	0.78	49%	0.49	S	S	*	.	H	α-helix	trans	-82.9	-22.9	-179.2	-84.4	-87.3	0	0	0	114.3	R6	R6-Y9 PolarHBondContact O-N 2.93Å
10	T	55.4	Low	61	Low	93 Å²	93	99.2 Å²	99.2	57%	0.571	49%	0.487	S	S	*	.	H	α-helix	trans	-96.6	-30.3	-166.3	51.3	0	0	0	0	114.9	R6 Q7	R6-T10 WeakPolarHBondContact O-CB 3.4Å; R6-T10 WeakPolarHBondContact O-CG2 3.5Å; R6-T10 PolarHBondContact O-N 3.02Å; R6-T10 PolarHBondContact O-OG1 3.02Å; Q7-T10 PolarHBondContact O-N 3.04Å
11	N	49.8	Very low	62.6	Low	134 Å²	134	94.5 Å²	94.5	72%	0.717	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	-24.4	-169.3	-79.5	-57.5	0	0	0	116.2	Q7	Q7-N11 PolarHBondContact O-N 2.86Å
12	K	50.8	Low	64.6	Low	137 Å²	137	85.9 Å²	85.9	60%	0.596	42%	0.423	S	S	*	.			trans	-162.2	100.9	174.2	-75.7	-164.3	-176.9	173.5	0	110	N14 W15	K12-N14 PolarHBondContact O-N 2.99Å; K12-W15 HydrophobicContact CB-CB 4.23Å; K12-W15 PolarHBondContact O-N 2.84Å
13	P	51.7	Low	66.1	Low	112 Å²	112	85.1 Å²	85.1	73%	0.727	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-24	-173.6	20.6	-31.2	0	0	0	113.7
14	N	58	Low	67.7	Low	76 Å²	76	83.7 Å²	83.7	41%	0.406	42%	0.417	S	S	.	.	H	α-helix	trans	-79.2	-18.2	178.6	65.6	-19.5	0	0	0	114.4	K12 C16 T17 V18	K12-N14 PolarHBondContact O-N 2.99Å; N14-C16 VanDerWaalsContact C-N 3.3Å; N14-C16 PolarHBondContact O-N 3.13Å; N14-T17 WeakPolarHBondContact CA-OG1 3.31Å; N14-T17 PolarHBondContact O-N 3.26Å; N14-T17 PolarHBondContact O-OG1 2.86Å; N14-V18 WeakPolarHBondContact O-CG2 3.37Å; N14-V18 PolarHBondContact O-N 3.06Å
15	W	56.1	Low	69.5	Low	100 Å²	100	79.6 Å²	79.6	38%	0.379	40%	0.396	S	S	.	.	H	α-helix	trans	-67	-32.3	-172.1	103.8	-90.6	0	0	0	112.7	L4 Q7 C8 K12 V18 A19	L4-W15 HydrophobicContact CB-CH2 4.36Å; L4-W15 HydrophobicContact CB-CZ2 4.21Å; L4-W15 HydrophobicContact CD2-CH2 3.71Å; L4-W15 HydrophobicContact CD2-CZ2 4.07Å; Q7-W15 VanDerWaalsContact C-NE1 3.35Å; Q7-W15 HydrophobicContact CB-CZ2 4.39Å; C8-W15 PolarHBondContact SG-NE1 2.91Å; K12-W15 HydrophobicContact CB-CB 4.23Å; K12-W15 PolarHBondContact O-N 2.84Å; W15-V18 PolarHBondContact O-N 3.01Å; W15-A19 PolarHBondContact O-N 2.73Å
16	C	62.6	Low	71.2	Confident	31 Å²	31	75.9 Å²	75.9	21%	0.209	40%	0.4	C	S	.	.	H	α-helix	trans	-62	-46.9	174.9	-39.9	0	0	0	0	111.1	C8 N14 V18	C8-C16 WeakPolarHBondContact CA-SG 3.41Å; C8-C16 HydrophobicContact CB-CB 4.11Å; C8-C16 WeakPolarHBondContact CB-SG 3.42Å; C8-C16 WeakPolarHBondContact SG-CA 3.37Å; C8-C16 WeakPolarHBondContact SG-CB 3.23Å; C8-C16 CovalentContact SG-SG 1.98Å; C8-C16 PolarHBondContact SG-SG 3.31Å; N14-C16 VanDerWaalsContact C-N 3.3Å; N14-C16 PolarHBondContact O-N 3.13Å; C16-V18 VanDerWaalsContact C-N 3.27Å; C16-V18 PolarHBondContact O-N 3.47Å
17	T	75.3	Confident	73	Confident	11 Å²	11	67.9 Å²	67.9	7%	0.067	37%	0.37	C	S	.	.	H	α-helix	trans	-75.2	-19.4	-176.5	55	0	0	0	0	112	N14 W27 N78	N14-T17 WeakPolarHBondContact CA-OG1 3.31Å; N14-T17 PolarHBondContact O-N 3.26Å; N14-T17 PolarHBondContact O-OG1 2.86Å; T17-W27 WeakPolarHBondContact O-CB 3.12Å; T17-N78 WeakPolarHBondContact O-CB 3.44Å; T17-N78 VanDerWaalsContact O-CG 3.27Å; T17-N78 PolarHBondContact O-ND2 3.15Å
18	V	84.6	Confident	74.7	Confident	3 Å²	3	64 Å²	64	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-75.9	-46.8	176.4	178.8	0	0	0	0	110.5	N14 W15 C16 G20 W21 D23 W27 N78	N14-V18 WeakPolarHBondContact O-CG2 3.37Å; N14-V18 PolarHBondContact O-N 3.06Å; W15-V18 PolarHBondContact O-N 3.01Å; C16-V18 VanDerWaalsContact C-N 3.27Å; C16-V18 PolarHBondContact O-N 3.47Å; V18-G20 PolarHBondContact O-N 2.89Å; V18-W21 WeakPolarHBondContact O-CB 3.23Å; V18-W21 PolarHBondContact O-N 2.86Å; V18-D23 VanDerWaalsContact CG1-OD1 3.27Å; V18-D23 WeakPolarHBondContact CG1-OD1 3.4Å; V18-W27 HydrophobicContact CG2-CG 4.49Å; V18-N78 PolarHBondContact O-ND2 3.08Å; V18-N78 VanDerWaalsContact O-ND2 3.16Å
19	A	86.5	Confident	76.2	Confident	16 Å²	16	64.6 Å²	64.6	13%	0.132	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	27.8	-179.4	0	0	0	0	0	114.5	W15 K58	W15-A19 PolarHBondContact O-N 2.73Å; A19-K58 WeakPolarHBondContact O-CE 3.46Å; A19-K58 PolarHBondContact O-NZ 2.66Å
20	G	91	Very high	78	Confident	42 Å²	42	57.2 Å²	57.2	43%	0.433	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	16.1	-174.9	0	0	0	0	0	115.7	V18 K58 T62	V18-G20 PolarHBondContact O-N 2.89Å; G20-K58 WeakPolarHBondContact O-CD 3.5Å; G20-K58 WeakPolarHBondContact O-CG 3.02Å; G20-T62 VanDerWaalsContact O-CG2 3.29Å; G20-T62 WeakPolarHBondContact O-CG2 3.28Å
21	W	94.8	Very high	79.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.339	C	S	.	.	S	Bend	trans	-92.4	12	178.3	-72.6	96.3	0	0	0	114.4	V18 W27 L45 H47 L57 K58 F61 T62	V18-W21 WeakPolarHBondContact O-CB 3.23Å; V18-W21 PolarHBondContact O-N 2.86Å; W21-W27 HydrophobicContact CB-CH2 4.45Å; W21-W27 HydrophobicContact CB-CZ2 3.81Å; W21-L45 HydrophobicContact CB-CD2 4.33Å; W21-L45 HydrophobicContact CD2-CD2 3.43Å; W21-L45 VanDerWaalsContact CD2-CD2 3.43Å; W21-L45 HydrophobicContact CE3-CD2 3.66Å; W21-L45 HydrophobicContact CG-CD2 3.75Å; W21-L45 HydrophobicContact CH2-CD1 4.42Å; W21-L45 HydrophobicContact CH2-CD2 4.34Å; W21-L45 HydrophobicContact CZ2-CD2 4.14Å; W21-L45 HydrophobicContact CZ3-CD2 4.1Å; W21-H47 AromaticContact CD1-CE1 3.82Å; W21-H47 AromaticContact CD1-NE2 3.7Å; W21-H47 AromaticContact CE2-CG 3.98Å; W21-H47 HydrophobicContact CZ2-CB 4.09Å; W21-H47 AromaticContact CZ2-CG 3.97Å; W21-H47 AromaticContact NE1-CD2 3.46Å; W21-H47 PolarHBondContact NE1-CD2 2.94Å; W21-H47 AromaticContact NE1-CE1 3.14Å; W21-H47 PolarHBondContact NE1-CE1 2.86Å; W21-H47 AromaticContact NE1-CG 3.48Å; W21-H47 AromaticContact NE1-ND1 3.25Å; W21-H47 PolarHBondContact NE1-ND1 3.4Å; W21-H47 AromaticContact NE1-NE2 3.24Å; W21-H47 PolarHBondContact NE1-NE2 3.2Å; W21-L57 HydrophobicContact CH2-CB 4.02Å; W21-L57 HydrophobicContact CH2-CD2 3.95Å; W21-L57 HydrophobicContact CH2-CG 3.89Å; W21-L57 HydrophobicContact CZ3-CB 4.44Å; W21-L57 HydrophobicContact CZ3-CD2 4.18Å; W21-L57 HydrophobicContact CZ3-CG 3.92Å; W21-K58 HydrophobicContact CD2-CB 4.28Å; W21-K58 HydrophobicContact CD2-CG 4.01Å; W21-K58 HydrophobicContact CE3-CB 4.26Å; W21-K58 HydrophobicContact CE3-CG 4.27Å; W21-K58 HydrophobicContact CG-CG 4.39Å; W21-K58 HydrophobicContact CH2-CB 4.02Å; W21-K58 HydrophobicContact CZ2-CB 4.04Å; W21-K58 HydrophobicContact CZ3-CB 4.15Å; W21-F61 HydrophobicContact CE3-CB 3.86Å; W21-F61 AromaticContact CE3-CD1 3.92Å; W21-F61 HydrophobicContact CE3-CD1 3.92Å; W21-F61 HydrophobicContact CE3-CD2 4.39Å; W21-F61 AromaticContact CE3-CG 3.81Å; W21-F61 HydrophobicContact CE3-CG 3.81Å; W21-F61 HydrophobicContact CZ3-CB 3.8Å; W21-F61 HydrophobicContact CZ3-CD2 4.3Å; W21-F61 AromaticContact CZ3-CG 3.99Å; W21-F61 HydrophobicContact CZ3-CG 3.99Å; W21-F61 WeakPolarHBondContact O-CD1 3.39Å; W21-T62 VanDerWaalsContact C-CG2 3.47Å
22	G	93	Very high	81.2	Confident	7 Å²	7	57.2 Å²	57.2	7%	0.072	32%	0.321	C	S	.	.			trans	124	107.5	174.2	0	0	0	0	0	111	D24 I25 W27	G22-D24 PolarHBondContact O-N 3.11Å; G22-I25 PolarHBondContact O-N 3.18Å; G22-W27 PolarHBondContact O-NE1 3.03Å
23	D	89.9	Confident	82.9	Confident	134 Å²	134	51.4 Å²	51.4	72%	0.717	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-15.9	-175.5	-57.1	-51.1	0	0	0	113.1	V18	V18-D23 VanDerWaalsContact CG1-OD1 3.27Å; V18-D23 WeakPolarHBondContact CG1-OD1 3.4Å
24	D	91.2	Very high	84.4	Confident	107 Å²	107	49.5 Å²	49.5	57%	0.572	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	1.5	178.6	52.9	-7.4	0	0	0	113.5	G22 V68	G22-D24 PolarHBondContact O-N 3.11Å; D24-V68 HydrophobicContact CB-CG1 4.09Å; D24-V68 VanDerWaalsContact CG-CG2 3.49Å; D24-V68 WeakPolarHBondContact OD2-CG2 3.41Å
25	I	93	Very high	85.6	Confident	8 Å²	8	53 Å²	53	4%	0.041	30%	0.302	C	S	.	.	S	Bend	trans	-99.2	134.3	173.9	-63.6	170.7	0	0	0	109.4	G22 W27 F61 I67 M76	G22-I25 PolarHBondContact O-N 3.18Å; I25-W27 HydrophobicContact CB-CD2 4.49Å; I25-W27 HydrophobicContact CB-CZ2 4.27Å; I25-W27 HydrophobicContact CD1-CZ2 3.85Å; I25-W27 HydrophobicContact CG2-CD2 3.84Å; I25-W27 HydrophobicContact CG2-CE3 4.42Å; I25-W27 HydrophobicContact CG2-CG 4.13Å; I25-W27 HydrophobicContact CG2-CZ2 3.94Å; I25-W27 PolarHBondContact O-N 2.79Å; I25-F61 HydrophobicContact CD1-CE1 3.9Å; I25-I67 HydrophobicContact CD1-CG2 3.94Å; I25-M76 HydrophobicContact CG2-CB 3.8Å; I25-M76 HydrophobicContact CG2-CE 3.99Å; I25-M76 HydrophobicContact CG2-CG 3.68Å
26	A	91.7	Very high	86.7	Confident	84 Å²	84	52.8 Å²	52.8	69%	0.694	30%	0.304	S	S	*	.			trans	-77.8	72.9	176.5	0	0	0	0	0	111.2
27	W	92.8	Very high	87	Confident	12 Å²	12	54 Å²	54	5%	0.045	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	144.7	176.1	-61.4	101.4	0	0	0	112	T17 V18 W21 G22 I25 F43 L45 F61 M76 N78	T17-W27 WeakPolarHBondContact O-CB 3.12Å; V18-W27 HydrophobicContact CG2-CG 4.49Å; W21-W27 HydrophobicContact CB-CH2 4.45Å; W21-W27 HydrophobicContact CB-CZ2 3.81Å; G22-W27 PolarHBondContact O-NE1 3.03Å; I25-W27 HydrophobicContact CB-CD2 4.49Å; I25-W27 HydrophobicContact CB-CZ2 4.27Å; I25-W27 HydrophobicContact CD1-CZ2 3.85Å; I25-W27 HydrophobicContact CG2-CD2 3.84Å; I25-W27 HydrophobicContact CG2-CE3 4.42Å; I25-W27 HydrophobicContact CG2-CG 4.13Å; I25-W27 HydrophobicContact CG2-CZ2 3.94Å; I25-W27 PolarHBondContact O-N 2.79Å; W27-F43 HydrophobicContact CH2-CD1 4.49Å; W27-F43 HydrophobicContact CH2-CE1 4.21Å; W27-F43 HydrophobicContact CZ3-CD1 4.26Å; W27-F43 HydrophobicContact CZ3-CE1 4.36Å; W27-L45 HydrophobicContact CH2-CD2 4.23Å; W27-L45 HydrophobicContact CZ3-CB 4.47Å; W27-F61 HydrophobicContact CH2-CE1 4.16Å; W27-F61 HydrophobicContact CH2-CZ 4.24Å; W27-F61 HydrophobicContact CZ2-CE1 4.02Å; W27-M76 CarbonylContact C-O 3.54Å; W27-M76 WeakPolarHBondContact CA-O 2.91Å; W27-M76 HydrophobicContact CD2-CB 4.35Å; W27-M76 HydrophobicContact CE3-CB 3.75Å; W27-M76 HydrophobicContact CH2-CE 3.84Å; W27-M76 HydrophobicContact CZ2-CE 4.46Å; W27-M76 HydrophobicContact CZ3-CB 4.03Å; W27-M76 HydrophobicContact CZ3-CE 3.99Å; W27-N78 HydrophobicContact CD2-CB 4.12Å; W27-N78 HydrophobicContact CE3-CB 3.61Å; W27-N78 HydrophobicContact CZ3-CB 3.97Å
28	V	90.3	Very high	86.7	Confident	24 Å²	24	63.9 Å²	63.9	15%	0.145	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	156.4	170.1	-54.3	0	0	0	0	109.8	F36 V75 M76 V77	V28-F36 HydrophobicContact CB-CD2 4.38Å; V28-F36 HydrophobicContact CB-CE2 4.28Å; V28-F36 HydrophobicContact CG1-CD2 4Å; V28-F36 HydrophobicContact CG1-CE2 3.77Å; V28-F36 HydrophobicContact CG1-CZ 4.19Å; V28-F36 HydrophobicContact CG2-CD2 4.31Å; V28-V75 HydrophobicContact CG2-CG1 3.77Å; V28-M76 PolarHBondContact N-O 3.33Å; V28-V77 HydrophobicContact CG2-CG2 3.79Å
29	S	89.6	Confident	86.4	Confident	26 Å²	26	72.8 Å²	72.8	18%	0.182	38%	0.38	C	S	.	.			trans	-69.5	156	173.9	72.2	0	0	0	0	110.1	E31 D32 V33	S29-E31 VanDerWaalsContact C-N 3.26Å; S29-E31 PolarHBondContact O-N 3.4Å; S29-D32 PolarHBondContact O-N 2.77Å; S29-D32 VanDerWaalsContact OG-CB 3.25Å; S29-D32 WeakPolarHBondContact OG-CB 3.01Å; S29-D32 PolarHBondContact OG-N 3.33Å; S29-D32 PolarHBondContact OG-OD2 3.07Å; S29-V33 PolarHBondContact O-N 2.71Å
30	F	89.3	Confident	86.4	Confident	44 Å²	44	77 Å²	77	19%	0.193	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-38.3	173.5	-173.5	-97.2	0	0	0	111.5	D32 V33 L44 V77 P85 Y90	F30-D32 VanDerWaalsContact C-N 3.3Å; F30-D32 PolarHBondContact O-N 2.95Å; F30-V33 WeakPolarHBondContact O-CB 3.37Å; F30-V33 WeakPolarHBondContact O-CG1 3.37Å; F30-V33 PolarHBondContact O-N 3.45Å; F30-L44 HydrophobicContact CD2-CD1 4Å; F30-L44 HydrophobicContact CD2-CD2 4.42Å; F30-L44 HydrophobicContact CE2-CD2 4.12Å; F30-V77 HydrophobicContact CB-CG1 3.92Å; F30-V77 HydrophobicContact CD2-CG1 4.04Å; F30-V77 HydrophobicContact CG-CG1 4.49Å; F30-P85 HydrophobicContact CD1-CB 4.37Å; F30-P85 HydrophobicContact CD1-CG 3.77Å; F30-P85 HydrophobicContact CD2-CG 3.46Å; F30-P85 VanDerWaalsContact CD2-CG 3.46Å; F30-P85 HydrophobicContact CE1-CB 3.76Å; F30-P85 HydrophobicContact CE1-CG 3.55Å; F30-P85 HydrophobicContact CE2-CB 4.03Å; F30-P85 HydrophobicContact CE2-CG 3.23Å; F30-P85 HydrophobicContact CG-CG 3.73Å; F30-P85 HydrophobicContact CZ-CB 3.57Å; F30-P85 HydrophobicContact CZ-CG 3.27Å; F30-Y90 AromaticContact CE2-CE1 3.97Å; F30-Y90 HydrophobicContact CE2-CE1 3.97Å; F30-Y90 HydrophobicContact CE2-CE2 4.32Å; F30-Y90 AromaticContact CE2-CZ 3.81Å; F30-Y90 HydrophobicContact CZ-CD2 4.47Å; F30-Y90 HydrophobicContact CZ-CE1 4.12Å; F30-Y90 AromaticContact CZ-CE2 3.68Å; F30-Y90 HydrophobicContact CZ-CE2 3.68Å; F30-Y90 AromaticContact CZ-CZ 3.48Å; F30-Y90 VanDerWaalsContact CZ-CZ 3.48Å; F30-Y90 WeakPolarHBondContact CZ-OH 3.33Å
31	E	86.8	Confident	86.5	Confident	167 Å²	167	77.2 Å²	77.2	78%	0.78	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-35.4	176.9	-62	-179.5	175.2	0	0	113	S29	S29-E31 VanDerWaalsContact C-N 3.26Å; S29-E31 PolarHBondContact O-N 3.4Å
32	D	86.5	Confident	86.4	Confident	60 Å²	60	77.3 Å²	77.3	32%	0.321	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.4	-179.2	-71	-50.6	0	0	0	113.7	S29 F30 A34 K35 F36	S29-D32 PolarHBondContact O-N 2.77Å; S29-D32 VanDerWaalsContact OG-CB 3.25Å; S29-D32 WeakPolarHBondContact OG-CB 3.01Å; S29-D32 PolarHBondContact OG-N 3.33Å; S29-D32 PolarHBondContact OG-OD2 3.07Å; F30-D32 VanDerWaalsContact C-N 3.3Å; F30-D32 PolarHBondContact O-N 2.95Å; D32-A34 PolarHBondContact O-N 3.18Å; D32-A34 VanDerWaalsContact O-N 3.13Å; D32-K35 HydrophobicContact CB-CD 4.41Å; D32-K35 VanDerWaalsContact O-CB 3.31Å; D32-K35 WeakPolarHBondContact O-CB 3.43Å; D32-K35 PolarHBondContact O-N 3.02Å; D32-K35 WeakPolarHBondContact OD1-CE 3.41Å; D32-K35 IonicContact OD1-NZ 2.71Å; D32-K35 PolarHBondContact OD1-NZ 3.26Å; D32-F36 HydrophobicContact CB-CE2 4.41Å; D32-F36 WeakPolarHBondContact O-CD2 3.16Å
33	V	86.4	Confident	86.6	Confident	16 Å²	16	77.7 Å²	77.7	10%	0.097	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-58.9	-34.7	-171	79.6	0	0	0	0	112.8	S29 F30 K35 F36 F37 M42 V75 V77	S29-V33 PolarHBondContact O-N 2.71Å; F30-V33 WeakPolarHBondContact O-CB 3.37Å; F30-V33 WeakPolarHBondContact O-CG1 3.37Å; F30-V33 PolarHBondContact O-N 3.45Å; V33-K35 PolarHBondContact O-N 2.67Å; V33-F36 PolarHBondContact O-N 2.67Å; V33-F37 HydrophobicContact CG2-CD2 4.28Å; V33-F37 WeakPolarHBondContact O-CB 3.42Å; V33-F37 PolarHBondContact O-N 3.42Å; V33-M42 HydrophobicContact CG1-SD 4.49Å; V33-M42 HydrophobicContact CG2-CG 4.43Å; V33-M42 HydrophobicContact CG2-SD 3.63Å; V33-V75 HydrophobicContact CG2-CG1 3.77Å; V33-V77 HydrophobicContact CB-CG2 4.01Å; V33-V77 HydrophobicContact CG2-CG2 3.46Å; V33-V77 VanDerWaalsContact CG2-CG2 3.46Å
34	A	83.5	Confident	86.9	Confident	71 Å²	71	71.3 Å²	71.3	59%	0.587	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-58	-25.8	-179.8	0	0	0	0	0	112.8	D32 F36	D32-A34 PolarHBondContact O-N 3.18Å; D32-A34 VanDerWaalsContact O-N 3.13Å; A34-F36 VanDerWaalsContact C-N 3.28Å; A34-F36 PolarHBondContact O-N 3.35Å
35	K	81.9	Confident	87.2	Confident	150 Å²	150	66.2 Å²	66.2	65%	0.652	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-70.6	-25.4	176.1	-60.2	170.2	-178.5	166.8	0	112.3	D32 V33	D32-K35 HydrophobicContact CB-CD 4.41Å; D32-K35 VanDerWaalsContact O-CB 3.31Å; D32-K35 WeakPolarHBondContact O-CB 3.43Å; D32-K35 PolarHBondContact O-N 3.02Å; D32-K35 WeakPolarHBondContact OD1-CE 3.41Å; D32-K35 IonicContact OD1-NZ 2.71Å; D32-K35 PolarHBondContact OD1-NZ 3.26Å; V33-K35 PolarHBondContact O-N 2.67Å
36	F	79.2	Confident	87.4	Confident	95 Å²	95	65.9 Å²	65.9	42%	0.417	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-22.9	-172.1	-59.4	-80.2	0	0	0	114	V28 D32 V33 A34 R38 V75	V28-F36 HydrophobicContact CB-CD2 4.38Å; V28-F36 HydrophobicContact CB-CE2 4.28Å; V28-F36 HydrophobicContact CG1-CD2 4Å; V28-F36 HydrophobicContact CG1-CE2 3.77Å; V28-F36 HydrophobicContact CG1-CZ 4.19Å; V28-F36 HydrophobicContact CG2-CD2 4.31Å; D32-F36 HydrophobicContact CB-CE2 4.41Å; D32-F36 WeakPolarHBondContact O-CD2 3.16Å; V33-F36 PolarHBondContact O-N 2.67Å; A34-F36 VanDerWaalsContact C-N 3.28Å; A34-F36 PolarHBondContact O-N 3.35Å; F36-R38 PolarHBondContact O-N 3.22Å; F36-V75 HydrophobicContact CB-CB 4.41Å; F36-V75 HydrophobicContact CB-CG1 3.67Å; F36-V75 HydrophobicContact CB-CG2 3.79Å; F36-V75 HydrophobicContact CG-CG1 4.45Å
37	F	69	Low	87.6	Confident	58 Å²	58	61.9 Å²	61.9	25%	0.254	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-1	-171.4	-158.8	-94.1	0	0	0	115	V33 M42 L103 I105	V33-F37 HydrophobicContact CG2-CD2 4.28Å; V33-F37 WeakPolarHBondContact O-CB 3.42Å; V33-F37 PolarHBondContact O-N 3.42Å; F37-M42 HydrophobicContact CD2-CB 3.81Å; F37-M42 HydrophobicContact CD2-SD 4.48Å; F37-M42 HydrophobicContact CE2-CB 3.4Å; F37-M42 HydrophobicContact CE2-CE 4.27Å; F37-M42 HydrophobicContact CE2-CG 4.45Å; F37-M42 HydrophobicContact CE2-SD 4.35Å; F37-L103 HydrophobicContact CE2-CB 4.29Å; F37-L103 HydrophobicContact CZ-CB 4.23Å; F37-I105 HydrophobicContact CD1-CG1 4.38Å; F37-I105 HydrophobicContact CE1-CG1 4.16Å; F37-I105 WeakPolarHBondContact O-CD1 2.91Å; F37-I105 WeakPolarHBondContact O-CG1 3.48Å
38	R	70.5	Confident	87.8	Confident	217 Å²	217	62.6 Å²	62.6	82%	0.819	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-18.5	-176	-65.5	-174.6	-179.7	164.9	0.5	115.1	F36	F36-R38 PolarHBondContact O-N 3.22Å
39	K	76.8	Confident	87.9	Confident	190 Å²	190	63.9 Å²	63.9	83%	0.826	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	-19.8	-168.4	-64.9	-172.5	179.6	-178	0	115.4
40	R	87.9	Confident	88.2	Confident	105 Å²	105	71.1 Å²	71.1	40%	0.396	33%	0.327	S	S	.	.	S	Bend	trans	-143.3	148	-173.5	-69.4	-179.1	-63.9	-169.4	0.8	110	K72 V75	R40-K72 PolarHBondContact NH1-O 3.08Å; R40-V75 HydrophobicContact CB-CG2 4.23Å
41	P	92.6	Very high	88.5	Confident	47 Å²	47	69.5 Å²	69.5	31%	0.305	32%	0.322	S	S	.	.			trans	-59.4	155.1	171.2	26.7	-34.1	0	0	0	111.2	F74 V75 L103	P41-F74 HydrophobicContact CB-CD1 4.01Å; P41-F74 HydrophobicContact CB-CE1 4.14Å; P41-F74 HydrophobicContact CG-CD1 3.61Å; P41-F74 HydrophobicContact CG-CE1 3.65Å; P41-F74 CarbonylContact O-C 3.5Å; P41-F74 VanDerWaalsContact O-CA 3.23Å; P41-F74 WeakPolarHBondContact O-CA 3.38Å; P41-V75 PolarHBondContact O-N 2.67Å; P41-L103 CarbonylContact C-O 3.57Å; P41-L103 WeakPolarHBondContact CA-O 3.47Å
42	M	93.2	Very high	89	Confident	2 Å²	2	66.1 Å²	66.1	1%	0.01	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	138.5	176.2	173.8	171.2	70.3	0	0	111.5	V33 F37 L44 V75 V77 Y90 F102 L103	V33-M42 HydrophobicContact CG1-SD 4.49Å; V33-M42 HydrophobicContact CG2-CG 4.43Å; V33-M42 HydrophobicContact CG2-SD 3.63Å; F37-M42 HydrophobicContact CD2-CB 3.81Å; F37-M42 HydrophobicContact CD2-SD 4.48Å; F37-M42 HydrophobicContact CE2-CB 3.4Å; F37-M42 HydrophobicContact CE2-CE 4.27Å; F37-M42 HydrophobicContact CE2-CG 4.45Å; F37-M42 HydrophobicContact CE2-SD 4.35Å; M42-L44 HydrophobicContact CE-CB 4.18Å; M42-L44 HydrophobicContact CE-CD2 3.99Å; M42-L44 HydrophobicContact CG-CB 3.99Å; M42-L44 HydrophobicContact SD-CB 4.04Å; M42-V75 WeakPolarHBondContact CA-O 3.25Å; M42-V77 HydrophobicContact CG-CB 4.45Å; M42-V77 HydrophobicContact CG-CG2 3.89Å; M42-V77 HydrophobicContact SD-CB 4.3Å; M42-V77 HydrophobicContact SD-CG2 3.7Å; M42-Y90 HydrophobicContact CE-CE1 4.03Å; M42-F102 WeakPolarHBondContact O-CA 3.47Å; M42-L103 HydrophobicContact CB-CB 4.36Å; M42-L103 HydrophobicContact CE-CB 3.97Å; M42-L103 HydrophobicContact CE-CD1 3.54Å; M42-L103 HydrophobicContact CE-CD2 3.66Å; M42-L103 HydrophobicContact CE-CG 3.91Å; M42-L103 PolarHBondContact N-O 3.04Å; M42-L103 PolarHBondContact O-N 3.23Å
43	F	96.2	Very high	89.6	Confident	15 Å²	15	65.8 Å²	65.8	7%	0.066	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	107.1	161.7	-179.4	-83.8	0	0	0	108.9	W27 L45 F61 F74 V75 M76 V77 I100 F102	W27-F43 HydrophobicContact CH2-CD1 4.49Å; W27-F43 HydrophobicContact CH2-CE1 4.21Å; W27-F43 HydrophobicContact CZ3-CD1 4.26Å; W27-F43 HydrophobicContact CZ3-CE1 4.36Å; F43-L45 HydrophobicContact CD1-CB 4.44Å; F43-L45 HydrophobicContact CE1-CB 3.87Å; F43-F61 HydrophobicContact CE1-CE2 4.33Å; F43-F61 HydrophobicContact CE1-CZ 4.07Å; F43-F61 AromaticContact CZ-CE2 3.74Å; F43-F61 HydrophobicContact CZ-CE2 3.74Å; F43-F61 AromaticContact CZ-CZ 3.86Å; F43-F61 HydrophobicContact CZ-CZ 3.86Å; F43-F74 HydrophobicContact CB-CB 3.97Å; F43-F74 HydrophobicContact CB-CD1 4.43Å; F43-F74 HydrophobicContact CB-CG 4.26Å; F43-V75 PolarHBondContact N-O 2.75Å; F43-M76 HydrophobicContact CB-CE 4.1Å; F43-M76 HydrophobicContact CB-SD 3.51Å; F43-M76 VanDerWaalsContact CB-SD 3.51Å; F43-M76 HydrophobicContact CD1-CE 3.47Å; F43-M76 VanDerWaalsContact CD1-CE 3.47Å; F43-M76 HydrophobicContact CD1-SD 4.07Å; F43-M76 HydrophobicContact CD2-CE 4.3Å; F43-M76 HydrophobicContact CE1-CE 3.9Å; F43-M76 HydrophobicContact CG-CE 3.71Å; F43-M76 HydrophobicContact CG-SD 3.8Å; F43-V77 PolarHBondContact O-N 3.27Å; F43-I100 HydrophobicContact CD2-CG2 4.15Å; F43-I100 HydrophobicContact CE1-CG2 4.33Å; F43-I100 HydrophobicContact CE2-CG2 3.39Å; F43-I100 HydrophobicContact CZ-CB 4.49Å; F43-I100 HydrophobicContact CZ-CD1 4.16Å; F43-I100 HydrophobicContact CZ-CG1 4.24Å; F43-I100 HydrophobicContact CZ-CG2 3.48Å; F43-I100 VanDerWaalsContact CZ-CG2 3.48Å; F43-F102 HydrophobicContact CD2-CD1 4.17Å; F43-F102 AromaticContact CD2-CE1 3.43Å; F43-F102 HydrophobicContact CD2-CE1 3.43Å; F43-F102 VanDerWaalsContact CD2-CE1 3.43Å; F43-F102 HydrophobicContact CD2-CE2 4.44Å; F43-F102 AromaticContact CD2-CZ 3.57Å; F43-F102 HydrophobicContact CD2-CZ 3.57Å; F43-F102 HydrophobicContact CE2-CE1 4.02Å; F43-F102 HydrophobicContact CE2-CE2 4.38Å; F43-F102 AromaticContact CE2-CZ 3.66Å; F43-F102 HydrophobicContact CE2-CZ 3.66Å; F43-F102 HydrophobicContact CG-CE1 4.48Å
44	L	96	Very high	90.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	86.7	173.8	170.1	125.2	0	0	0	116.9	F30 M42 I46 V77 A79 P85 Y90 I100 L101	F30-L44 HydrophobicContact CD2-CD1 4Å; F30-L44 HydrophobicContact CD2-CD2 4.42Å; F30-L44 HydrophobicContact CE2-CD2 4.12Å; M42-L44 HydrophobicContact CE-CB 4.18Å; M42-L44 HydrophobicContact CE-CD2 3.99Å; M42-L44 HydrophobicContact CG-CB 3.99Å; M42-L44 HydrophobicContact SD-CB 4.04Å; L44-I46 HydrophobicContact CD1-CG1 3.9Å; L44-I46 HydrophobicContact CD2-CD1 4.17Å; L44-I46 HydrophobicContact CD2-CG1 4.29Å; L44-I46 HydrophobicContact CG-CD1 4.32Å; L44-I46 HydrophobicContact CG-CG1 3.91Å; L44-V77 HydrophobicContact CB-CB 4.08Å; L44-V77 HydrophobicContact CD1-CB 4.14Å; L44-V77 HydrophobicContact CD1-CG1 3.75Å; L44-A79 HydrophobicContact CD1-CB 3.86Å; L44-P85 HydrophobicContact CD2-CG 4.49Å; L44-Y90 HydrophobicContact CD2-CD1 3.63Å; L44-Y90 HydrophobicContact CD2-CE1 3.96Å; L44-I100 CarbonylContact O-C 3.59Å; L44-I100 VanDerWaalsContact O-CA 3.23Å; L44-I100 WeakPolarHBondContact O-CA 3.12Å; L44-L101 VanDerWaalsContact CA-O 3.28Å; L44-L101 WeakPolarHBondContact CA-O 3.33Å; L44-L101 PolarHBondContact N-O 3.33Å; L44-L101 PolarHBondContact O-N 3.36Å
45	L	97.4	Very high	90.8	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	114.5	168.4	179.9	62.8	0	0	0	112	W21 W27 F43 V77 A79 I100	W21-L45 HydrophobicContact CB-CD2 4.33Å; W21-L45 HydrophobicContact CD2-CD2 3.43Å; W21-L45 VanDerWaalsContact CD2-CD2 3.43Å; W21-L45 HydrophobicContact CE3-CD2 3.66Å; W21-L45 HydrophobicContact CG-CD2 3.75Å; W21-L45 HydrophobicContact CH2-CD1 4.42Å; W21-L45 HydrophobicContact CH2-CD2 4.34Å; W21-L45 HydrophobicContact CZ2-CD2 4.14Å; W21-L45 HydrophobicContact CZ3-CD2 4.1Å; W27-L45 HydrophobicContact CH2-CD2 4.23Å; W27-L45 HydrophobicContact CZ3-CB 4.47Å; F43-L45 HydrophobicContact CD1-CB 4.44Å; F43-L45 HydrophobicContact CE1-CB 3.87Å; L45-V77 PolarHBondContact N-O 2.92Å; L45-A79 PolarHBondContact O-N 3.14Å; L45-I100 HydrophobicContact CD1-CG1 3.88Å
46	I	96.9	Very high	91.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.2	172.9	-56.6	173.2	0	0	0	108.3	L44 A79 E84 P98 R99 L101	L44-I46 HydrophobicContact CD1-CG1 3.9Å; L44-I46 HydrophobicContact CD2-CD1 4.17Å; L44-I46 HydrophobicContact CD2-CG1 4.29Å; L44-I46 HydrophobicContact CG-CD1 4.32Å; L44-I46 HydrophobicContact CG-CG1 3.91Å; I46-A79 HydrophobicContact CG1-CB 4.39Å; I46-E84 HydrophobicContact CG2-CB 4.09Å; I46-E84 HydrophobicContact CG2-CG 3.72Å; I46-P98 WeakPolarHBondContact O-CA 3.38Å; I46-R99 HydrophobicContact CB-CB 4.36Å; I46-R99 PolarHBondContact N-O 2.73Å; I46-R99 PolarHBondContact O-N 3.35Å; I46-L101 HydrophobicContact CD1-CD1 4.47Å
47	H	97.2	Very high	92.4	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	162.2	179.1	72.3	101.5	0	0	0	112.4	W21 C54 N78 A79 Q80 D81 P98	W21-H47 AromaticContact CD1-CE1 3.82Å; W21-H47 AromaticContact CD1-NE2 3.7Å; W21-H47 AromaticContact CE2-CG 3.98Å; W21-H47 HydrophobicContact CZ2-CB 4.09Å; W21-H47 AromaticContact CZ2-CG 3.97Å; W21-H47 AromaticContact NE1-CD2 3.46Å; W21-H47 PolarHBondContact NE1-CD2 2.94Å; W21-H47 AromaticContact NE1-CE1 3.14Å; W21-H47 PolarHBondContact NE1-CE1 2.86Å; W21-H47 AromaticContact NE1-CG 3.48Å; W21-H47 AromaticContact NE1-ND1 3.25Å; W21-H47 PolarHBondContact NE1-ND1 3.4Å; W21-H47 AromaticContact NE1-NE2 3.24Å; W21-H47 PolarHBondContact NE1-NE2 3.2Å; H47-C54 HydrophobicContact CB-CB 4.13Å; H47-N78 PolarHBondContact CD2-OD1 2.89Å; H47-N78 PolarHBondContact NE2-OD1 3.48Å; H47-A79 PolarHBondContact N-O 3.26Å; H47-Q80 VanDerWaalsContact CE1-CG 3.41Å; H47-Q80 WeakPolarHBondContact CE1-CG 3.43Å; H47-Q80 WeakPolarHBondContact NE2-CB 3.35Å; H47-Q80 WeakPolarHBondContact O-CA 3.35Å; H47-D81 PolarHBondContact O-N 2.95Å; H47-P98 HydrophobicContact CB-CB 4.47Å
48	K	95.7	Very high	93.7	Very high	26 Å²	26	60.6 Å²	60.6	11%	0.113	30%	0.297	C	S	.	.			trans	-120.8	139.8	172.7	-55.2	-66.5	179.4	178.8	0	110	W50 C51 D81 E84 I97	K48-W50 HydrophobicContact CB-CD2 4.04Å; K48-W50 HydrophobicContact CB-CG 4.31Å; K48-W50 HydrophobicContact CB-CZ2 3.94Å; K48-W50 HydrophobicContact CD-CZ2 4.48Å; K48-W50 HydrophobicContact CG-CH2 4.49Å; K48-W50 HydrophobicContact CG-CZ2 3.75Å; K48-W50 PolarHBondContact O-N 3.28Å; K48-C51 HydrophobicContact CB-CB 4.17Å; K48-C51 WeakPolarHBondContact O-CB 3.24Å; K48-C51 PolarHBondContact O-N 2.97Å; K48-C51 VanDerWaalsContact O-N 3.14Å; K48-D81 VanDerWaalsContact CA-OD1 3.23Å; K48-D81 WeakPolarHBondContact CA-OD1 3.46Å; K48-D81 PolarHBondContact NZ-O 2.66Å; K48-E84 WeakPolarHBondContact CE-OE2 3.36Å; K48-E84 IonicContact NZ-OE2 2.67Å; K48-E84 PolarHBondContact NZ-OE2 3.3Å; K48-I97 HydrophobicContact CD-CD1 4.02Å; K48-I97 VanDerWaalsContact CE-CD1 3.44Å; K48-I97 HydrophobicContact CG-CD1 3.3Å; K48-I97 HydrophobicContact CG-CG2 4.11Å
49	S	94.1	Very high	95	Very high	52 Å²	52	52.9 Å²	52.9	36%	0.364	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-32.8	-179.3	51.4	0	0	0	0	113.1	Q55 D81	S49-Q55 PolarHBondContact O-NE2 3.29Å; S49-D81 VanDerWaalsContact CB-OD2 3.28Å; S49-D81 WeakPolarHBondContact CB-OD2 3.42Å; S49-D81 PolarHBondContact N-OD1 3.4Å; S49-D81 VanDerWaalsContact OG-CG 3.28Å; S49-D81 PolarHBondContact OG-OD1 3.42Å; S49-D81 VanDerWaalsContact OG-OD1 3.08Å; S49-D81 PolarHBondContact OG-OD2 2.88Å
50	W	94.3	Very high	95.9	Very high	177 Å²	177	51.3 Å²	51.3	67%	0.67	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.5	-178.9	54.2	-100.4	0	0	0	114.1	K48 P52	K48-W50 HydrophobicContact CB-CD2 4.04Å; K48-W50 HydrophobicContact CB-CG 4.31Å; K48-W50 HydrophobicContact CB-CZ2 3.94Å; K48-W50 HydrophobicContact CD-CZ2 4.48Å; K48-W50 HydrophobicContact CG-CH2 4.49Å; K48-W50 HydrophobicContact CG-CZ2 3.75Å; K48-W50 PolarHBondContact O-N 3.28Å; W50-P52 WeakPolarHBondContact O-CD 3.44Å
51	C	96.5	Very high	96.3	Very high	11 Å²	11	47 Å²	47	7%	0.074	25%	0.253	C	S	.	.			trans	-82.7	120	-174.5	174.7	0	0	0	0	111.9	K48 A53 C54 Q55	K48-C51 HydrophobicContact CB-CB 4.17Å; K48-C51 WeakPolarHBondContact O-CB 3.24Å; K48-C51 PolarHBondContact O-N 2.97Å; K48-C51 VanDerWaalsContact O-N 3.14Å; C51-A53 VanDerWaalsContact C-N 3.32Å; C51-A53 PolarHBondContact O-N 2.77Å; C51-C54 HydrophobicContact CB-CB 3.92Å; C51-C54 WeakPolarHBondContact CB-SG 3.42Å; C51-C54 WeakPolarHBondContact O-CB 3.28Å; C51-C54 PolarHBondContact O-N 2.66Å; C51-C54 VanDerWaalsContact O-N 3.15Å; C51-C54 PolarHBondContact SG-SG 3.38Å; C51-Q55 WeakPolarHBondContact O-CG 3.33Å; C51-Q55 PolarHBondContact O-N 3.45Å; C51-Q55 VanDerWaalsContact O-N 3.08Å
52	P	97.7	Very high	96.5	Very high	95 Å²	95	47.6 Å²	47.6	62%	0.617	26%	0.255	S	S	*	.	H	α-helix	trans	-61.1	-36.9	179.4	-25.6	35.7	0	0	0	113.8	W50 C54 Q55 A56	W50-P52 WeakPolarHBondContact O-CD 3.44Å; P52-C54 VanDerWaalsContact C-N 3.33Å; P52-C54 PolarHBondContact O-N 2.86Å; P52-Q55 PolarHBondContact O-N 3.19Å; P52-A56 WeakPolarHBondContact O-CB 3.49Å; P52-A56 PolarHBondContact O-N 3.02Å
53	A	98	Very high	96.6	Very high	54 Å²	54	55.4 Å²	55.4	45%	0.446	29%	0.289	S	S	.	.	H	α-helix	trans	-64.8	-38.2	177.1	0	0	0	0	0	111.8	C51 A56 L57	C51-A53 VanDerWaalsContact C-N 3.32Å; C51-A53 PolarHBondContact O-N 2.77Å; A53-A56 PolarHBondContact O-N 3.09Å; A53-L57 WeakPolarHBondContact O-CB 3.31Å; A53-L57 PolarHBondContact O-N 2.99Å
54	C	97.7	Very high	96.5	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-46.3	174.2	-62.6	0	0	0	0	111.2	H47 C51 P52 A56 L57 K58 P98	H47-C54 HydrophobicContact CB-CB 4.13Å; C51-C54 HydrophobicContact CB-CB 3.92Å; C51-C54 WeakPolarHBondContact CB-SG 3.42Å; C51-C54 WeakPolarHBondContact O-CB 3.28Å; C51-C54 PolarHBondContact O-N 2.66Å; C51-C54 VanDerWaalsContact O-N 3.15Å; C51-C54 PolarHBondContact SG-SG 3.38Å; P52-C54 VanDerWaalsContact C-N 3.33Å; P52-C54 PolarHBondContact O-N 2.86Å; C54-A56 VanDerWaalsContact C-N 3.29Å; C54-A56 PolarHBondContact O-N 2.83Å; C54-L57 PolarHBondContact O-N 3.07Å; C54-K58 PolarHBondContact O-N 3.45Å; C54-P98 VanDerWaalsContact SG-CD 3.59Å
55	Q	96.9	Very high	96.4	Very high	113 Å²	113	65.1 Å²	65.1	53%	0.528	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-36.5	178.4	-66.4	173	5.7	0	0	111.9	S49 C51 P52 P59	S49-Q55 PolarHBondContact O-NE2 3.29Å; C51-Q55 WeakPolarHBondContact O-CG 3.33Å; C51-Q55 PolarHBondContact O-N 3.45Å; C51-Q55 VanDerWaalsContact O-N 3.08Å; P52-Q55 PolarHBondContact O-N 3.19Å; Q55-P59 WeakPolarHBondContact O-CD 3.47Å
56	A	97.9	Very high	96.3	Very high	57 Å²	57	72.6 Å²	72.6	47%	0.471	37%	0.373	S	S	.	.	H	α-helix	trans	-72.6	-32.9	176.1	0	0	0	0	0	113.4	P52 A53 C54	P52-A56 WeakPolarHBondContact O-CB 3.49Å; P52-A56 PolarHBondContact O-N 3.02Å; A53-A56 PolarHBondContact O-N 3.09Å; C54-A56 VanDerWaalsContact C-N 3.29Å; C54-A56 PolarHBondContact O-N 2.83Å
57	L	97.7	Very high	96.3	Very high	54 Å²	54	74.5 Å²	74.5	28%	0.283	38%	0.383	S	S	.	.	H	α-helix	trans	-75.3	-41.6	179.1	179.6	60.4	0	0	0	112.2	W21 A53 C54 K60 F61 P98 I100	W21-L57 HydrophobicContact CH2-CB 4.02Å; W21-L57 HydrophobicContact CH2-CD2 3.95Å; W21-L57 HydrophobicContact CH2-CG 3.89Å; W21-L57 HydrophobicContact CZ3-CB 4.44Å; W21-L57 HydrophobicContact CZ3-CD2 4.18Å; W21-L57 HydrophobicContact CZ3-CG 3.92Å; A53-L57 WeakPolarHBondContact O-CB 3.31Å; A53-L57 PolarHBondContact O-N 2.99Å; C54-L57 PolarHBondContact O-N 3.07Å; L57-K60 WeakPolarHBondContact O-CB 3.42Å; L57-K60 PolarHBondContact O-N 3.25Å; L57-F61 PolarHBondContact O-N 2.8Å; L57-P98 HydrophobicContact CD2-CB 4.3Å; L57-P98 HydrophobicContact CD2-CG 3.75Å; L57-I100 HydrophobicContact CD2-CD1 4.45Å
58	K	96.7	Very high	96.2	Very high	54 Å²	54	75.6 Å²	75.6	24%	0.235	39%	0.39	C	S	.	.	H	α-helix	trans	-46.2	-52.9	-176.5	-174.7	175.8	-69.1	-174.6	0	114.7	A19 G20 W21 C54 K60 F61 T62	A19-K58 WeakPolarHBondContact O-CE 3.46Å; A19-K58 PolarHBondContact O-NZ 2.66Å; G20-K58 WeakPolarHBondContact O-CD 3.5Å; G20-K58 WeakPolarHBondContact O-CG 3.02Å; W21-K58 HydrophobicContact CD2-CB 4.28Å; W21-K58 HydrophobicContact CD2-CG 4.01Å; W21-K58 HydrophobicContact CE3-CB 4.26Å; W21-K58 HydrophobicContact CE3-CG 4.27Å; W21-K58 HydrophobicContact CG-CG 4.39Å; W21-K58 HydrophobicContact CH2-CB 4.02Å; W21-K58 HydrophobicContact CZ2-CB 4.04Å; W21-K58 HydrophobicContact CZ3-CB 4.15Å; C54-K58 PolarHBondContact O-N 3.45Å; K58-K60 VanDerWaalsContact C-N 3.28Å; K58-K60 PolarHBondContact O-N 3.46Å; K58-F61 WeakPolarHBondContact O-CB 3.42Å; K58-F61 PolarHBondContact O-N 3.08Å; K58-T62 WeakPolarHBondContact O-CG2 3.38Å; K58-T62 PolarHBondContact O-N 3.16Å; K58-T62 PolarHBondContact O-OG1 3.24Å
59	P	96.6	Very high	96.2	Very high	56 Å²	56	79.4 Å²	79.4	36%	0.364	41%	0.408	S	S	.	.	H	α-helix	trans	-68.3	-25.3	-179.3	27.4	-35.9	0	0	0	113.6	Q55 T62 K63	Q55-P59 WeakPolarHBondContact O-CD 3.47Å; P59-T62 WeakPolarHBondContact CA-OG1 3.33Å; P59-T62 PolarHBondContact O-OG1 2.75Å; P59-K63 WeakPolarHBondContact O-CB 3.42Å; P59-K63 WeakPolarHBondContact O-CD 3.48Å; P59-K63 WeakPolarHBondContact O-CG 3.48Å; P59-K63 PolarHBondContact O-N 3.47Å
60	K	96.9	Very high	96.4	Very high	156 Å²	156	81.7 Å²	81.7	68%	0.678	42%	0.416	S	S	*	.	H	α-helix	trans	-73.5	-42.2	175.2	-61.6	179.7	-178	178.4	0	110.2	L57 K58 A64	L57-K60 WeakPolarHBondContact O-CB 3.42Å; L57-K60 PolarHBondContact O-N 3.25Å; K58-K60 VanDerWaalsContact C-N 3.28Å; K58-K60 PolarHBondContact O-N 3.46Å; K60-A64 WeakPolarHBondContact O-CB 3.1Å; K60-A64 PolarHBondContact O-N 3.39Å
61	F	96.9	Very high	96.4	Very high	16 Å²	16	73.8 Å²	73.8	7%	0.07	39%	0.388	C	S	.	.	H	α-helix	trans	-60.8	-50.7	176.3	-165.9	-84.7	0	0	0	111.1	W21 I25 W27 F43 L57 K58 K63 A64 I67	W21-F61 HydrophobicContact CE3-CB 3.86Å; W21-F61 AromaticContact CE3-CD1 3.92Å; W21-F61 HydrophobicContact CE3-CD1 3.92Å; W21-F61 HydrophobicContact CE3-CD2 4.39Å; W21-F61 AromaticContact CE3-CG 3.81Å; W21-F61 HydrophobicContact CE3-CG 3.81Å; W21-F61 HydrophobicContact CZ3-CB 3.8Å; W21-F61 HydrophobicContact CZ3-CD2 4.3Å; W21-F61 AromaticContact CZ3-CG 3.99Å; W21-F61 HydrophobicContact CZ3-CG 3.99Å; W21-F61 WeakPolarHBondContact O-CD1 3.39Å; I25-F61 HydrophobicContact CD1-CE1 3.9Å; W27-F61 HydrophobicContact CH2-CE1 4.16Å; W27-F61 HydrophobicContact CH2-CZ 4.24Å; W27-F61 HydrophobicContact CZ2-CE1 4.02Å; F43-F61 HydrophobicContact CE1-CE2 4.33Å; F43-F61 HydrophobicContact CE1-CZ 4.07Å; F43-F61 AromaticContact CZ-CE2 3.74Å; F43-F61 HydrophobicContact CZ-CE2 3.74Å; F43-F61 AromaticContact CZ-CZ 3.86Å; F43-F61 HydrophobicContact CZ-CZ 3.86Å; L57-F61 PolarHBondContact O-N 2.8Å; K58-F61 WeakPolarHBondContact O-CB 3.42Å; K58-F61 PolarHBondContact O-N 3.08Å; F61-K63 VanDerWaalsContact C-N 3.34Å; F61-K63 PolarHBondContact O-N 3.14Å; F61-A64 PolarHBondContact O-N 2.94Å; F61-I67 HydrophobicContact CB-CD1 4.46Å; F61-I67 HydrophobicContact CD1-CD1 4.13Å; F61-I67 HydrophobicContact CD1-CG2 4.29Å; F61-I67 HydrophobicContact CD2-CD1 3.55Å; F61-I67 HydrophobicContact CE1-CD1 4.27Å; F61-I67 HydrophobicContact CE1-CG2 3.58Å; F61-I67 HydrophobicContact CE2-CD1 3.7Å; F61-I67 HydrophobicContact CE2-CG2 4.12Å; F61-I67 HydrophobicContact CG-CD1 3.79Å; F61-I67 HydrophobicContact CZ-CD1 4.07Å; F61-I67 HydrophobicContact CZ-CG2 3.48Å; F61-I67 VanDerWaalsContact CZ-CG2 3.48Å
62	T	95	Very high	96.3	Very high	58 Å²	58	78.6 Å²	78.6	36%	0.356	41%	0.407	S	S	.	.	H	α-helix	trans	-69.2	-27.6	-177.5	55.7	0	0	0	0	114.4	G20 W21 K58 P59	G20-T62 VanDerWaalsContact O-CG2 3.29Å; G20-T62 WeakPolarHBondContact O-CG2 3.28Å; W21-T62 VanDerWaalsContact C-CG2 3.47Å; K58-T62 WeakPolarHBondContact O-CG2 3.38Å; K58-T62 PolarHBondContact O-N 3.16Å; K58-T62 PolarHBondContact O-OG1 3.24Å; P59-T62 WeakPolarHBondContact CA-OG1 3.33Å; P59-T62 PolarHBondContact O-OG1 2.75Å
63	K	95.8	Very high	96.1	Very high	167 Å²	167	81.7 Å²	81.7	73%	0.726	41%	0.408	S	S	*	.	H	α-helix	trans	-78.2	-20.7	175.8	-73	175.3	-176.1	-178.2	0	113.2	P59 F61 K65	P59-K63 WeakPolarHBondContact O-CB 3.42Å; P59-K63 WeakPolarHBondContact O-CD 3.48Å; P59-K63 WeakPolarHBondContact O-CG 3.48Å; P59-K63 PolarHBondContact O-N 3.47Å; F61-K63 VanDerWaalsContact C-N 3.34Å; F61-K63 PolarHBondContact O-N 3.14Å; K63-K65 PolarHBondContact O-N 3Å
64	A	95	Very high	95.9	Very high	38 Å²	38	81.4 Å²	81.4	31%	0.314	40%	0.396	S	S	.	.			trans	-79.6	85.6	-177.8	0	0	0	0	0	110.8	K60 F61 Q66 I67	K60-A64 WeakPolarHBondContact O-CB 3.1Å; K60-A64 PolarHBondContact O-N 3.39Å; F61-A64 PolarHBondContact O-N 2.94Å; A64-Q66 PolarHBondContact O-N 3Å; A64-I67 HydrophobicContact CB-CD1 3.8Å; A64-I67 HydrophobicContact CB-CG1 3.91Å; A64-I67 WeakPolarHBondContact O-CB 3.23Å; A64-I67 PolarHBondContact O-N 2.91Å
65	K	92.9	Very high	95.7	Very high	181 Å²	181	81.5 Å²	81.5	79%	0.787	40%	0.397	S	S	*	.	H	α-helix	trans	-50.9	-29.5	-178.1	-63.2	-171.1	177.8	-174.1	0	114.7	K63 I67 V68	K63-K65 PolarHBondContact O-N 3Å; K65-I67 PolarHBondContact O-N 3.36Å; K65-V68 WeakPolarHBondContact O-CB 3.35Å; K65-V68 PolarHBondContact O-N 2.98Å
66	Q	96.6	Very high	95.6	Very high	156 Å²	156	76.4 Å²	76.4	73%	0.729	37%	0.373	S	S	*	.	H	α-helix	trans	-60.5	-30.1	176.8	-69	175.8	-16.1	0	0	112.9	A64 V68 E69 L70	A64-Q66 PolarHBondContact O-N 3Å; Q66-V68 VanDerWaalsContact C-N 3.27Å; Q66-V68 PolarHBondContact O-N 3.32Å; Q66-E69 PolarHBondContact O-N 2.95Å; Q66-L70 WeakPolarHBondContact O-CG 3.47Å; Q66-L70 PolarHBondContact O-N 2.98Å
67	I	96.1	Very high	95.5	Very high	40 Å²	40	73.7 Å²	73.7	21%	0.205	35%	0.351	C	S	.	.	H	α-helix	trans	-63.4	-37.3	178.6	-63.4	-174.8	0	0	0	110.7	I25 F61 A64 K65 E69 L70 S71	I25-I67 HydrophobicContact CD1-CG2 3.94Å; F61-I67 HydrophobicContact CB-CD1 4.46Å; F61-I67 HydrophobicContact CD1-CD1 4.13Å; F61-I67 HydrophobicContact CD1-CG2 4.29Å; F61-I67 HydrophobicContact CD2-CD1 3.55Å; F61-I67 HydrophobicContact CE1-CD1 4.27Å; F61-I67 HydrophobicContact CE1-CG2 3.58Å; F61-I67 HydrophobicContact CE2-CD1 3.7Å; F61-I67 HydrophobicContact CE2-CG2 4.12Å; F61-I67 HydrophobicContact CG-CD1 3.79Å; F61-I67 HydrophobicContact CZ-CD1 4.07Å; F61-I67 HydrophobicContact CZ-CG2 3.48Å; F61-I67 VanDerWaalsContact CZ-CG2 3.48Å; A64-I67 HydrophobicContact CB-CD1 3.8Å; A64-I67 HydrophobicContact CB-CG1 3.91Å; A64-I67 WeakPolarHBondContact O-CB 3.23Å; A64-I67 PolarHBondContact O-N 2.91Å; K65-I67 PolarHBondContact O-N 3.36Å; I67-E69 VanDerWaalsContact C-N 3.35Å; I67-E69 PolarHBondContact O-N 3.38Å; I67-L70 PolarHBondContact O-N 3.22Å; I67-S71 VanDerWaalsContact O-CB 3.24Å; I67-S71 WeakPolarHBondContact O-CB 3.28Å; I67-S71 PolarHBondContact O-N 3.37Å
68	V	95.6	Very high	95.4	Very high	24 Å²	24	71.2 Å²	71.2	15%	0.145	34%	0.338	C	S	.	.	H	α-helix	trans	-62.2	-45.2	178.1	-175.3	0	0	0	0	110.4	D24 K65 Q66 S71	D24-V68 HydrophobicContact CB-CG1 4.09Å; D24-V68 VanDerWaalsContact CG-CG2 3.49Å; D24-V68 WeakPolarHBondContact OD2-CG2 3.41Å; K65-V68 WeakPolarHBondContact O-CB 3.35Å; K65-V68 PolarHBondContact O-N 2.98Å; Q66-V68 VanDerWaalsContact C-N 3.27Å; Q66-V68 PolarHBondContact O-N 3.32Å; V68-S71 PolarHBondContact O-N 3.25Å; V68-S71 PolarHBondContact O-OG 3.27Å
69	E	96.2	Very high	95.2	Very high	107 Å²	107	68.6 Å²	68.6	50%	0.5	33%	0.327	S	S	.	.	H	α-helix	trans	-66.1	-43.2	176.8	-70.2	-54.8	125.9	0	0	112.2	Q66 I67 S71 K72	Q66-E69 PolarHBondContact O-N 2.95Å; I67-E69 VanDerWaalsContact C-N 3.35Å; I67-E69 PolarHBondContact O-N 3.38Å; E69-S71 VanDerWaalsContact C-N 3.31Å; E69-S71 PolarHBondContact O-N 3.21Å; E69-K72 IonicContact OE1-NZ 2.67Å; E69-K72 PolarHBondContact OE1-NZ 2.79Å; E69-K72 IonicContact OE2-NZ 3.39Å; E69-K72 PolarHBondContact OE2-NZ 3Å
70	L	96.7	Very high	95.1	Very high	100 Å²	100	68.3 Å²	68.3	52%	0.524	32%	0.32	S	S	.	.	H	α-helix	trans	-68	-31.3	177.9	-69.8	172.4	0	0	0	112.6	Q66 I67 K72 Y73 F74	Q66-L70 WeakPolarHBondContact O-CG 3.47Å; Q66-L70 PolarHBondContact O-N 2.98Å; I67-L70 PolarHBondContact O-N 3.22Å; L70-K72 PolarHBondContact O-N 3.02Å; L70-Y73 WeakPolarHBondContact O-CD2 2.64Å; L70-Y73 PolarHBondContact O-N 2.73Å; L70-F74 WeakPolarHBondContact O-CD2 3.13Å
71	S	95.6	Very high	95	Very high	11 Å²	11	62.1 Å²	62.1	8%	0.077	30%	0.295	C	S	.	.	H	α-helix	trans	-58	-27.2	-177.7	77.9	0	0	0	0	112.9	I67 V68 E69 Y73 F74	I67-S71 VanDerWaalsContact O-CB 3.24Å; I67-S71 WeakPolarHBondContact O-CB 3.28Å; I67-S71 PolarHBondContact O-N 3.37Å; V68-S71 PolarHBondContact O-N 3.25Å; V68-S71 PolarHBondContact O-OG 3.27Å; E69-S71 VanDerWaalsContact C-N 3.31Å; E69-S71 PolarHBondContact O-N 3.21Å; S71-Y73 PolarHBondContact O-N 3.28Å; S71-F74 PolarHBondContact O-N 1.98Å; S71-F74 VanDerWaalsContact O-N 3.11Å
72	K	93.8	Very high	94.8	Very high	111 Å²	111	68.4 Å²	68.4	48%	0.483	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.6	179	-60.1	173.3	-170.6	166.4	0	112.9	R40 E69 L70	R40-K72 PolarHBondContact NH1-O 3.08Å; E69-K72 IonicContact OE1-NZ 2.67Å; E69-K72 PolarHBondContact OE1-NZ 2.79Å; E69-K72 IonicContact OE2-NZ 3.39Å; E69-K72 PolarHBondContact OE2-NZ 3Å; L70-K72 PolarHBondContact O-N 3.02Å
73	Y	93.9	Very high	94.7	Very high	160 Å²	160	69.9 Å²	69.9	63%	0.627	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-7.7	179.4	-60.4	-77.7	0	0	0	113.8	L70 S71	L70-Y73 WeakPolarHBondContact O-CD2 2.64Å; L70-Y73 PolarHBondContact O-N 2.73Å; S71-Y73 PolarHBondContact O-N 3.28Å
74	F	94.3	Very high	94.6	Very high	48 Å²	48	63.7 Å²	63.7	21%	0.211	31%	0.305	C	S	.	.	S	Bend	trans	-119.8	161.1	-177.3	-62	-89.2	0	0	0	111.7	P41 F43 L70 S71 M76 F102	P41-F74 HydrophobicContact CB-CD1 4.01Å; P41-F74 HydrophobicContact CB-CE1 4.14Å; P41-F74 HydrophobicContact CG-CD1 3.61Å; P41-F74 HydrophobicContact CG-CE1 3.65Å; P41-F74 CarbonylContact O-C 3.5Å; P41-F74 VanDerWaalsContact O-CA 3.23Å; P41-F74 WeakPolarHBondContact O-CA 3.38Å; F43-F74 HydrophobicContact CB-CB 3.97Å; F43-F74 HydrophobicContact CB-CD1 4.43Å; F43-F74 HydrophobicContact CB-CG 4.26Å; L70-F74 WeakPolarHBondContact O-CD2 3.13Å; S71-F74 PolarHBondContact O-N 1.98Å; S71-F74 VanDerWaalsContact O-N 3.11Å; F74-M76 HydrophobicContact CB-SD 3.76Å; F74-F102 HydrophobicContact CD1-CD1 4.03Å; F74-F102 HydrophobicContact CD1-CE1 4.28Å; F74-F102 AromaticContact CE1-CD1 3.52Å; F74-F102 HydrophobicContact CE1-CD1 3.52Å; F74-F102 AromaticContact CE1-CE1 3.77Å; F74-F102 HydrophobicContact CE1-CE1 3.77Å; F74-F102 HydrophobicContact CE2-CE1 4.44Å; F74-F102 HydrophobicContact CZ-CD1 4.05Å; F74-F102 AromaticContact CZ-CE1 3.86Å; F74-F102 HydrophobicContact CZ-CE1 3.86Å
75	V	93.3	Very high	94.5	Very high	4 Å²	4	62 Å²	62	2%	0.024	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	110.8	155.3	-176.4	0	0	0	0	106.8	V28 V33 F36 R40 P41 M42 F43 V77	V28-V75 HydrophobicContact CG2-CG1 3.77Å; V33-V75 HydrophobicContact CG2-CG1 3.77Å; F36-V75 HydrophobicContact CB-CB 4.41Å; F36-V75 HydrophobicContact CB-CG1 3.67Å; F36-V75 HydrophobicContact CB-CG2 3.79Å; F36-V75 HydrophobicContact CG-CG1 4.45Å; R40-V75 HydrophobicContact CB-CG2 4.23Å; P41-V75 PolarHBondContact O-N 2.67Å; M42-V75 WeakPolarHBondContact CA-O 3.25Å; F43-V75 PolarHBondContact N-O 2.75Å; V75-V77 HydrophobicContact CG1-CG2 4.27Å
76	M	94.9	Very high	94.5	Very high	7 Å²	7	62.7 Å²	62.7	3%	0.034	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	113.5	-174.1	-59.9	-65.4	-65	0	0	109.9	I25 W27 V28 F43 F74	I25-M76 HydrophobicContact CG2-CB 3.8Å; I25-M76 HydrophobicContact CG2-CE 3.99Å; I25-M76 HydrophobicContact CG2-CG 3.68Å; W27-M76 CarbonylContact C-O 3.54Å; W27-M76 WeakPolarHBondContact CA-O 2.91Å; W27-M76 HydrophobicContact CD2-CB 4.35Å; W27-M76 HydrophobicContact CE3-CB 3.75Å; W27-M76 HydrophobicContact CH2-CE 3.84Å; W27-M76 HydrophobicContact CZ2-CE 4.46Å; W27-M76 HydrophobicContact CZ3-CB 4.03Å; W27-M76 HydrophobicContact CZ3-CE 3.99Å; V28-M76 PolarHBondContact N-O 3.33Å; F43-M76 HydrophobicContact CB-CE 4.1Å; F43-M76 HydrophobicContact CB-SD 3.51Å; F43-M76 VanDerWaalsContact CB-SD 3.51Å; F43-M76 HydrophobicContact CD1-CE 3.47Å; F43-M76 VanDerWaalsContact CD1-CE 3.47Å; F43-M76 HydrophobicContact CD1-SD 4.07Å; F43-M76 HydrophobicContact CD2-CE 4.3Å; F43-M76 HydrophobicContact CE1-CE 3.9Å; F43-M76 HydrophobicContact CG-CE 3.71Å; F43-M76 HydrophobicContact CG-SD 3.8Å; F74-M76 HydrophobicContact CB-SD 3.76Å
77	V	94.6	Very high	94.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.3	-179.9	-176.5	0	0	0	0	109.8	V28 F30 V33 M42 F43 L44 L45 V75	V28-V77 HydrophobicContact CG2-CG2 3.79Å; F30-V77 HydrophobicContact CB-CG1 3.92Å; F30-V77 HydrophobicContact CD2-CG1 4.04Å; F30-V77 HydrophobicContact CG-CG1 4.49Å; V33-V77 HydrophobicContact CB-CG2 4.01Å; V33-V77 HydrophobicContact CG2-CG2 3.46Å; V33-V77 VanDerWaalsContact CG2-CG2 3.46Å; M42-V77 HydrophobicContact CG-CB 4.45Å; M42-V77 HydrophobicContact CG-CG2 3.89Å; M42-V77 HydrophobicContact SD-CB 4.3Å; M42-V77 HydrophobicContact SD-CG2 3.7Å; F43-V77 PolarHBondContact O-N 3.27Å; L44-V77 HydrophobicContact CB-CB 4.08Å; L44-V77 HydrophobicContact CD1-CB 4.14Å; L44-V77 HydrophobicContact CD1-CG1 3.75Å; L45-V77 PolarHBondContact N-O 2.92Å; V75-V77 HydrophobicContact CG1-CG2 4.27Å
78	N	95.1	Very high	94.3	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117	176.4	-168.6	-21.2	0	0	0	108.2	T17 V18 W27 H47	T17-N78 WeakPolarHBondContact O-CB 3.44Å; T17-N78 VanDerWaalsContact O-CG 3.27Å; T17-N78 PolarHBondContact O-ND2 3.15Å; V18-N78 PolarHBondContact O-ND2 3.08Å; V18-N78 VanDerWaalsContact O-ND2 3.16Å; W27-N78 HydrophobicContact CD2-CB 4.12Å; W27-N78 HydrophobicContact CE3-CB 3.61Å; W27-N78 HydrophobicContact CZ3-CB 3.97Å; H47-N78 PolarHBondContact CD2-OD1 2.89Å; H47-N78 PolarHBondContact NE2-OD1 3.48Å
79	A	94.4	Very high	94.1	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	101.1	177.2	0	0	0	0	0	108.5	L44 L45 I46 H47 E83	L44-A79 HydrophobicContact CD1-CB 3.86Å; L45-A79 PolarHBondContact O-N 3.14Å; I46-A79 HydrophobicContact CG1-CB 4.39Å; H47-A79 PolarHBondContact N-O 3.26Å; A79-E83 HydrophobicContact CB-CB 4.19Å; A79-E83 WeakPolarHBondContact CB-O 3.43Å
80	Q	94.5	Very high	94	Very high	49 Å²	49	63.3 Å²	63.3	23%	0.229	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	136.2	177.5	-177.3	178	-29.5	0	0	111.6	H47 D82 E83	H47-Q80 VanDerWaalsContact CE1-CG 3.41Å; H47-Q80 WeakPolarHBondContact CE1-CG 3.43Å; H47-Q80 WeakPolarHBondContact NE2-CB 3.35Å; H47-Q80 WeakPolarHBondContact O-CA 3.35Å; Q80-D82 PolarHBondContact O-N 3.38Å; Q80-D82 VanDerWaalsContact O-N 3.09Å; Q80-E83 PolarHBondContact N-OE2 2.85Å; Q80-E83 VanDerWaalsContact O-CB 3.28Å; Q80-E83 WeakPolarHBondContact O-CB 3.17Å; Q80-E83 VanDerWaalsContact O-CG 3.31Å; Q80-E83 WeakPolarHBondContact O-CG 3.04Å; Q80-E83 PolarHBondContact O-N 3.02Å
81	D	94.4	Very high	94	Very high	27 Å²	27	60.6 Å²	60.6	14%	0.144	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	55.5	-117.7	169.2	-61.8	-36.7	0	0	0	111.2	H47 K48 S49 E83 E84	H47-D81 PolarHBondContact O-N 2.95Å; K48-D81 VanDerWaalsContact CA-OD1 3.23Å; K48-D81 WeakPolarHBondContact CA-OD1 3.46Å; K48-D81 PolarHBondContact NZ-O 2.66Å; S49-D81 VanDerWaalsContact CB-OD2 3.28Å; S49-D81 WeakPolarHBondContact CB-OD2 3.42Å; S49-D81 PolarHBondContact N-OD1 3.4Å; S49-D81 VanDerWaalsContact OG-CG 3.28Å; S49-D81 PolarHBondContact OG-OD1 3.42Å; S49-D81 VanDerWaalsContact OG-OD1 3.08Å; S49-D81 PolarHBondContact OG-OD2 2.88Å; D81-E83 PolarHBondContact O-N 3.19Å; D81-E84 PolarHBondContact O-N 3.31Å
82	D	92.9	Very high	94	Very high	148 Å²	148	64.6 Å²	64.6	79%	0.791	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-73.5	-4.2	-176.6	-56.1	-35.6	0	0	0	113.6	Q80 E84	Q80-D82 PolarHBondContact O-N 3.38Å; Q80-D82 VanDerWaalsContact O-N 3.09Å; D82-E84 PolarHBondContact O-N 3.01Å
83	E	91.9	Very high	94.1	Very high	88 Å²	88	64 Å²	64	41%	0.411	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-79.4	-4.6	175.5	-58.6	169.1	169.1	0	0	112.7	A79 Q80 D81 P85	A79-E83 HydrophobicContact CB-CB 4.19Å; A79-E83 WeakPolarHBondContact CB-O 3.43Å; Q80-E83 PolarHBondContact N-OE2 2.85Å; Q80-E83 VanDerWaalsContact O-CB 3.28Å; Q80-E83 WeakPolarHBondContact O-CB 3.17Å; Q80-E83 VanDerWaalsContact O-CG 3.31Å; Q80-E83 WeakPolarHBondContact O-CG 3.04Å; Q80-E83 PolarHBondContact O-N 3.02Å; D81-E83 PolarHBondContact O-N 3.19Å; E83-P85 WeakPolarHBondContact O-CD 3.43Å
84	E	94.1	Very high	94.1	Very high	37 Å²	37	58 Å²	58	17%	0.173	29%	0.293	C	S	.	.	S	Bend	trans	-59.5	124.2	176.9	176.7	175.3	-177	0	0	111.3	I46 K48 D81 D82 R99	I46-E84 HydrophobicContact CG2-CB 4.09Å; I46-E84 HydrophobicContact CG2-CG 3.72Å; K48-E84 WeakPolarHBondContact CE-OE2 3.36Å; K48-E84 IonicContact NZ-OE2 2.67Å; K48-E84 PolarHBondContact NZ-OE2 3.3Å; D81-E84 PolarHBondContact O-N 3.31Å; D82-E84 PolarHBondContact O-N 3.01Å; E84-R99 IonicContact OE1-CZ 3.18Å; E84-R99 IonicContact OE1-NH1 2.77Å; E84-R99 PolarHBondContact OE1-NH1 3.02Å; E84-R99 IonicContact OE1-NH2 2.67Å; E84-R99 PolarHBondContact OE1-NH2 2.92Å
85	P	93.2	Very high	94.2	Very high	4 Å²	4	58.8 Å²	58.8	3%	0.026	31%	0.308	C	S	.	.			trans	-61.7	137.3	173.3	-21.8	33.9	0	0	0	111.3	F30 L44 E83 Y90	F30-P85 HydrophobicContact CD1-CB 4.37Å; F30-P85 HydrophobicContact CD1-CG 3.77Å; F30-P85 HydrophobicContact CD2-CG 3.46Å; F30-P85 VanDerWaalsContact CD2-CG 3.46Å; F30-P85 HydrophobicContact CE1-CB 3.76Å; F30-P85 HydrophobicContact CE1-CG 3.55Å; F30-P85 HydrophobicContact CE2-CB 4.03Å; F30-P85 HydrophobicContact CE2-CG 3.23Å; F30-P85 HydrophobicContact CG-CG 3.73Å; F30-P85 HydrophobicContact CZ-CB 3.57Å; F30-P85 HydrophobicContact CZ-CG 3.27Å; L44-P85 HydrophobicContact CD2-CG 4.49Å; E83-P85 WeakPolarHBondContact O-CD 3.43Å; P85-Y90 HydrophobicContact CB-CD2 3.29Å; P85-Y90 HydrophobicContact CB-CE2 3.7Å; P85-Y90 HydrophobicContact CB-CG 3.79Å; P85-Y90 HydrophobicContact CG-CD2 4.15Å; P85-Y90 HydrophobicContact CG-CE2 4.43Å; P85-Y90 HydrophobicContact CG-CG 4.26Å
86	W	92.3	Very high	94.3	Very high	195 Å²	195	64.3 Å²	64.3	74%	0.739	33%	0.33	S	S	*	.			trans	-87.8	-21.7	-171.8	54.7	-85	0	0	0	112.8	K91	W86-K91 PolarHBondContact O-NZ 3.4Å
87	E	94.2	Very high	94.4	Very high	65 Å²	65	65.7 Å²	65.7	30%	0.304	34%	0.337	S	S	.	.	S	Bend	trans	-66.1	141.7	-174.7	-56.5	86.9	163.5	0	0	112.8	V89 Y90	E87-V89 HydrophobicContact CB-CG1 4.1Å; E87-V89 PolarHBondContact O-N 2.72Å; E87-V89 VanDerWaalsContact O-N 3.12Å; E87-Y90 HydrophobicContact CB-CD2 3.96Å; E87-Y90 HydrophobicContact CB-CE2 4.15Å; E87-Y90 PolarHBondContact O-N 2.81Å
88	E	93.9	Very high	94.5	Very high	139 Å²	139	67 Å²	67	65%	0.65	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-61.5	-23.3	-176	-68	-56.5	140.3	0	0	114	Y90 K91	E88-Y90 PolarHBondContact O-N 2.95Å; E88-Y90 VanDerWaalsContact O-N 3.11Å; E88-K91 CarbonylContact O-C 3.39Å; E88-K91 PolarHBondContact O-N 3.23Å
89	V	92.5	Very high	94.7	Very high	97 Å²	97	67 Å²	67	59%	0.588	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-59.2	-23.7	174.2	70.6	0	0	0	0	112.5	E87	E87-V89 HydrophobicContact CB-CG1 4.1Å; E87-V89 PolarHBondContact O-N 2.72Å; E87-V89 VanDerWaalsContact O-N 3.12Å
90	Y	94.7	Very high	94.8	Very high	39 Å²	39	70.2 Å²	70.2	15%	0.153	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-95.4	9.3	177.2	-54.9	-69.1	0	0	0	113.5	F30 M42 L44 P85 E87 E88 R99 L101 L103	F30-Y90 AromaticContact CE2-CE1 3.97Å; F30-Y90 HydrophobicContact CE2-CE1 3.97Å; F30-Y90 HydrophobicContact CE2-CE2 4.32Å; F30-Y90 AromaticContact CE2-CZ 3.81Å; F30-Y90 HydrophobicContact CZ-CD2 4.47Å; F30-Y90 HydrophobicContact CZ-CE1 4.12Å; F30-Y90 AromaticContact CZ-CE2 3.68Å; F30-Y90 HydrophobicContact CZ-CE2 3.68Å; F30-Y90 AromaticContact CZ-CZ 3.48Å; F30-Y90 VanDerWaalsContact CZ-CZ 3.48Å; F30-Y90 WeakPolarHBondContact CZ-OH 3.33Å; M42-Y90 HydrophobicContact CE-CE1 4.03Å; L44-Y90 HydrophobicContact CD2-CD1 3.63Å; L44-Y90 HydrophobicContact CD2-CE1 3.96Å; P85-Y90 HydrophobicContact CB-CD2 3.29Å; P85-Y90 HydrophobicContact CB-CE2 3.7Å; P85-Y90 HydrophobicContact CB-CG 3.79Å; P85-Y90 HydrophobicContact CG-CD2 4.15Å; P85-Y90 HydrophobicContact CG-CE2 4.43Å; P85-Y90 HydrophobicContact CG-CG 4.26Å; E87-Y90 HydrophobicContact CB-CD2 3.96Å; E87-Y90 HydrophobicContact CB-CE2 4.15Å; E87-Y90 PolarHBondContact O-N 2.81Å; E88-Y90 PolarHBondContact O-N 2.95Å; E88-Y90 VanDerWaalsContact O-N 3.11Å; Y90-R99 PolarHBondContact O-NE 3.22Å; Y90-R99 PolarHBondContact O-NH2 3.41Å; Y90-L101 HydrophobicContact CD1-CD1 4.44Å; Y90-L103 HydrophobicContact CD1-CD2 4.19Å; Y90-L103 HydrophobicContact CE1-CD2 3.6Å
91	K	96	Very high	94.9	Very high	42 Å²	42	69.1 Å²	69.1	18%	0.183	36%	0.357	C	S	.	.			trans	-139.8	44.9	179.7	-59.3	166.6	-172.8	161.6	0	112	W86 E88 D93 G94 A95	W86-K91 PolarHBondContact O-NZ 3.4Å; E88-K91 CarbonylContact O-C 3.39Å; E88-K91 PolarHBondContact O-N 3.23Å; K91-D93 PolarHBondContact O-N 3.42Å; K91-G94 PolarHBondContact O-N 3.2Å; K91-A95 HydrophobicContact CD-CB 4.19Å; K91-A95 HydrophobicContact CG-CB 4.43Å
92	P	95.4	Very high	94.9	Very high	96 Å²	96	73.9 Å²	73.9	62%	0.623	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24	-171.2	27.7	-36.6	0	0	0	114	L101	P92-L101 HydrophobicContact CG-CD2 4.41Å
93	D	95.7	Very high	94.8	Very high	99 Å²	99	68.5 Å²	68.5	53%	0.529	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	23.7	179.3	58	-12.9	0	0	0	112	K91 Y96	K91-D93 PolarHBondContact O-N 3.42Å; D93-Y96 HydrophobicContact CB-CE1 4.48Å; D93-Y96 VanDerWaalsContact CG-CE1 3.5Å; D93-Y96 WeakPolarHBondContact OD1-CE1 3.48Å; D93-Y96 WeakPolarHBondContact OD2-CE1 3.29Å; D93-Y96 PolarHBondContact OD2-OH 2.93Å
94	G	95.1	Very high	94.5	Very high	33 Å²	33	66.6 Å²	66.6	34%	0.34	35%	0.352	S	S	.	.			trans	102.9	-179.7	176.3	0	0	0	0	0	115	K91	K91-G94 PolarHBondContact O-N 3.2Å
95	A	94.9	Very high	93.2	Very high	64 Å²	64	67.9 Å²	67.9	53%	0.529	36%	0.36	S	S	.	.	S	Bend	trans	-99.9	32.8	-171.9	0	0	0	0	0	113.8	K91	K91-A95 HydrophobicContact CD-CB 4.19Å; K91-A95 HydrophobicContact CG-CB 4.43Å
96	Y	96.4	Very high	91.5	Very high	120 Å²	120	74.6 Å²	74.6	47%	0.471	39%	0.394	S	S	.	.			trans	-68.9	163.8	175.5	66.4	-94.8	0	0	0	111.5	D93 R99	D93-Y96 HydrophobicContact CB-CE1 4.48Å; D93-Y96 VanDerWaalsContact CG-CE1 3.5Å; D93-Y96 WeakPolarHBondContact OD1-CE1 3.48Å; D93-Y96 WeakPolarHBondContact OD2-CE1 3.29Å; D93-Y96 PolarHBondContact OD2-OH 2.93Å; Y96-R99 HydrophobicContact CD2-CG 3.87Å; Y96-R99 HydrophobicContact CE2-CG 3.68Å; Y96-R99 HydrophobicContact CG-CG 4.44Å; Y96-R99 WeakPolarHBondContact O-CD 3.16Å; Y96-R99 WeakPolarHBondContact O-CG 3.27Å; Y96-R99 PolarHBondContact O-NH1 3.34Å
97	I	96.3	Very high	89.4	Confident	36 Å²	36	74.1 Å²	74.1	19%	0.185	40%	0.398	C	S	.	.	S	Bend	trans	-145.2	138.8	-173.7	-41.3	-178.6	0	0	0	110.4	K48	K48-I97 HydrophobicContact CD-CD1 4.02Å; K48-I97 VanDerWaalsContact CE-CD1 3.44Å; K48-I97 HydrophobicContact CG-CD1 3.3Å; K48-I97 HydrophobicContact CG-CG2 4.11Å
98	P	97.7	Very high	86.9	Confident	28 Å²	28	79 Å²	79	18%	0.182	42%	0.418	C	S	.	.	S	Bend	cis	-71.9	155.7	-1.4	30.1	-33	0	0	0	113.4	I46 H47 C54 L57	I46-P98 WeakPolarHBondContact O-CA 3.38Å; H47-P98 HydrophobicContact CB-CB 4.47Å; C54-P98 VanDerWaalsContact SG-CD 3.59Å; L57-P98 HydrophobicContact CD2-CB 4.3Å; L57-P98 HydrophobicContact CD2-CG 3.75Å
99	R	97.7	Very high	84.4	Confident	2 Å²	2	76.4 Å²	76.4	1%	0.008	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140	168.7	-51.9	-167	-65.5	-79.4	3.8	110.5	I46 E84 Y90 Y96	I46-R99 HydrophobicContact CB-CB 4.36Å; I46-R99 PolarHBondContact N-O 2.73Å; I46-R99 PolarHBondContact O-N 3.35Å; E84-R99 IonicContact OE1-CZ 3.18Å; E84-R99 IonicContact OE1-NH1 2.77Å; E84-R99 PolarHBondContact OE1-NH1 3.02Å; E84-R99 IonicContact OE1-NH2 2.67Å; E84-R99 PolarHBondContact OE1-NH2 2.92Å; Y90-R99 PolarHBondContact O-NE 3.22Å; Y90-R99 PolarHBondContact O-NH2 3.41Å; Y96-R99 HydrophobicContact CD2-CG 3.87Å; Y96-R99 HydrophobicContact CE2-CG 3.68Å; Y96-R99 HydrophobicContact CG-CG 4.44Å; Y96-R99 WeakPolarHBondContact O-CD 3.16Å; Y96-R99 WeakPolarHBondContact O-CG 3.27Å; Y96-R99 PolarHBondContact O-NH1 3.34Å
100	I	97.4	Very high	82.4	Confident	66 Å²	66	77.7 Å²	77.7	34%	0.338	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.7	171.3	-62.4	174.2	0	0	0	107.2	F43 L44 L45 L57 F102	F43-I100 HydrophobicContact CD2-CG2 4.15Å; F43-I100 HydrophobicContact CE1-CG2 4.33Å; F43-I100 HydrophobicContact CE2-CG2 3.39Å; F43-I100 HydrophobicContact CZ-CB 4.49Å; F43-I100 HydrophobicContact CZ-CD1 4.16Å; F43-I100 HydrophobicContact CZ-CG1 4.24Å; F43-I100 HydrophobicContact CZ-CG2 3.48Å; F43-I100 VanDerWaalsContact CZ-CG2 3.48Å; L44-I100 CarbonylContact O-C 3.59Å; L44-I100 VanDerWaalsContact O-CA 3.23Å; L44-I100 WeakPolarHBondContact O-CA 3.12Å; L45-I100 HydrophobicContact CD1-CG1 3.88Å; L57-I100 HydrophobicContact CD2-CD1 4.45Å; I100-F102 HydrophobicContact CG2-CD2 4.43Å; I100-F102 HydrophobicContact CG2-CE2 3.81Å; I100-F102 HydrophobicContact CG2-CZ 4.26Å
101	L	96.6	Very high	80.3	Confident	26 Å²	26	79.1 Å²	79.1	14%	0.136	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.9	179.3	-60	177	0	0	0	110.1	L44 I46 Y90 P92 L103	L44-L101 VanDerWaalsContact CA-O 3.28Å; L44-L101 WeakPolarHBondContact CA-O 3.33Å; L44-L101 PolarHBondContact N-O 3.33Å; L44-L101 PolarHBondContact O-N 3.36Å; I46-L101 HydrophobicContact CD1-CD1 4.47Å; Y90-L101 HydrophobicContact CD1-CD1 4.44Å; P92-L101 HydrophobicContact CG-CD2 4.41Å; L101-L103 HydrophobicContact CB-CD1 3.65Å
102	F	94.3	Very high	77.9	Confident	128 Å²	128	81.1 Å²	81.1	56%	0.561	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.1	171.4	-68.2	-91.5	0	0	0	108.6	M42 F43 F74 I100	M42-F102 WeakPolarHBondContact O-CA 3.47Å; F43-F102 HydrophobicContact CD2-CD1 4.17Å; F43-F102 AromaticContact CD2-CE1 3.43Å; F43-F102 HydrophobicContact CD2-CE1 3.43Å; F43-F102 VanDerWaalsContact CD2-CE1 3.43Å; F43-F102 HydrophobicContact CD2-CE2 4.44Å; F43-F102 AromaticContact CD2-CZ 3.57Å; F43-F102 HydrophobicContact CD2-CZ 3.57Å; F43-F102 HydrophobicContact CE2-CE1 4.02Å; F43-F102 HydrophobicContact CE2-CE2 4.38Å; F43-F102 AromaticContact CE2-CZ 3.66Å; F43-F102 HydrophobicContact CE2-CZ 3.66Å; F43-F102 HydrophobicContact CG-CE1 4.48Å; F74-F102 HydrophobicContact CD1-CD1 4.03Å; F74-F102 HydrophobicContact CD1-CE1 4.28Å; F74-F102 AromaticContact CE1-CD1 3.52Å; F74-F102 HydrophobicContact CE1-CD1 3.52Å; F74-F102 AromaticContact CE1-CE1 3.77Å; F74-F102 HydrophobicContact CE1-CE1 3.77Å; F74-F102 HydrophobicContact CE2-CE1 4.44Å; F74-F102 HydrophobicContact CZ-CD1 4.05Å; F74-F102 AromaticContact CZ-CE1 3.86Å; F74-F102 HydrophobicContact CZ-CE1 3.86Å; I100-F102 HydrophobicContact CG2-CD2 4.43Å; I100-F102 HydrophobicContact CG2-CE2 3.81Å; I100-F102 HydrophobicContact CG2-CZ 4.26Å
103	L	91.4	Very high	75.6	Confident	34 Å²	34	83.6 Å²	83.6	18%	0.178	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.1	-179.9	-67.6	81	0	0	0	109.3	F37 P41 M42 Y90 L101	F37-L103 HydrophobicContact CE2-CB 4.29Å; F37-L103 HydrophobicContact CZ-CB 4.23Å; P41-L103 CarbonylContact C-O 3.57Å; P41-L103 WeakPolarHBondContact CA-O 3.47Å; M42-L103 HydrophobicContact CB-CB 4.36Å; M42-L103 HydrophobicContact CE-CB 3.97Å; M42-L103 HydrophobicContact CE-CD1 3.54Å; M42-L103 HydrophobicContact CE-CD2 3.66Å; M42-L103 HydrophobicContact CE-CG 3.91Å; M42-L103 PolarHBondContact N-O 3.04Å; M42-L103 PolarHBondContact O-N 3.23Å; Y90-L103 HydrophobicContact CD1-CD2 4.19Å; Y90-L103 HydrophobicContact CE1-CD2 3.6Å; L101-L103 HydrophobicContact CB-CD1 3.65Å
104	G	85.4	Confident	73.2	Confident	48 Å²	48	87.8 Å²	87.8	50%	0.495	49%	0.488	S	S	.	.			trans	-74.2	156.8	176.2	0	0	0	0	0	112	L106	G104-L106 PolarHBondContact O-N 3.17Å; G104-L106 VanDerWaalsContact O-N 3.17Å
105	I	67.4	Low	71	Confident	65 Å²	65	96.9 Å²	96.9	33%	0.333	53%	0.53	S	S	.	.			trans	-75.4	101.5	158.5	-59.2	160.7	0	0	0	105.1	F37 K107	F37-I105 HydrophobicContact CD1-CG1 4.38Å; F37-I105 HydrophobicContact CE1-CG1 4.16Å; F37-I105 WeakPolarHBondContact O-CD1 2.91Å; F37-I105 WeakPolarHBondContact O-CG1 3.48Å; I105-K107 HydrophobicContact CG2-CG 4.25Å; I105-K107 PolarHBondContact O-N 3.26Å
106	L	55.5	Low	69.8	Low	145 Å²	145	98.6 Å²	98.6	76%	0.759	53%	0.53	S	S	*	.			trans	-63.6	92.3	162.9	-76.6	172.6	0	0	0	106.7	G104 F108	G104-L106 PolarHBondContact O-N 3.17Å; G104-L106 VanDerWaalsContact O-N 3.17Å; L106-F108 HydrophobicContact CB-CD2 4.4Å; L106-F108 HydrophobicContact CB-CE2 4.44Å; L106-F108 HydrophobicContact CD1-CE2 4.46Å; L106-F108 PolarHBondContact O-N 3.42Å
107	K	49	Very low	68.4	Low	185 Å²	185	97.4 Å²	97.4	80%	0.804	53%	0.533	S	S	*	.			trans	-66.7	95.8	155.1	-73.1	-167.1	178.5	-178.6	0	104.8	I105 S109	I105-K107 HydrophobicContact CG2-CG 4.25Å; I105-K107 PolarHBondContact O-N 3.26Å; K107-S109 PolarHBondContact O-N 3.26Å
108	F	41.5	Very low	66.8	Low	167 Å²	167	100.8 Å²	100.8	73%	0.732	55%	0.552	S	S	*	*			trans	-58.8	86.4	149.4	-82.1	-86.1	0	0	0	105.5	L106 T110	L106-F108 HydrophobicContact CB-CD2 4.4Å; L106-F108 HydrophobicContact CB-CE2 4.44Å; L106-F108 HydrophobicContact CD1-CE2 4.46Å; L106-F108 PolarHBondContact O-N 3.42Å; F108-T110 PolarHBondContact O-N 3.31Å
109	S	40.7	Very low	65	Low	84 Å²	84	105.1 Å²	105.1	59%	0.587	57%	0.574	S	S	*	*			trans	-58.5	121.1	152.5	-173.3	0	0	0	0	103.7	K107 A111	K107-S109 PolarHBondContact O-N 3.26Å; S109-A111 PolarHBondContact O-N 3.02Å
110	T	51.1	Low	63	Low	125 Å²	125	111.6 Å²	111.6	77%	0.767	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-57.5	15.8	177.6	36	0	0	0	0	114.3	F108	F108-T110 PolarHBondContact O-N 3.31Å
111	A	51.1	Low	60.7	Low	68 Å²	68	114.6 Å²	114.6	56%	0.562	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-85	-13.7	-179.9	0	0	0	0	0	114.5	S109	S109-A111 PolarHBondContact O-N 3.02Å
112	A	45.5	Very low	58.1	Low	84 Å²	84	120.9 Å²	120.9	69%	0.694	66%	0.662	S	S	*	*	G	3₁₀ helix	trans	-100.3	16	-176.4	0	0	0	0	0	114.9
113	L	47.4	Very low	55.3	Low	148 Å²	148	120.4 Å²	120.4	78%	0.775	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-124.4	17.5	177	-71.9	173.7	0	0	0	113.1
114	F	45.3	Very low	52.3	Low	187 Å²	187	127.6 Å²	127.6	82%	0.82	71%	0.711	S	S	*	*			trans	-133	26.6	176.2	-77.4	-71.1	0	0	0	114.1
115	D	48.3	Very low	49.3	Very low	225 Å²	225	134.8 Å²	134.8	100%	1.203	73%	0.731	S	S	*	*			trans	-114.8	0	165.4	-64.7	-23.2	0	0	0	110.4

Retrieved 115 of 115 residues in 75.1 ms (Link to these results)

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