A0A077YYZ8_TRITR Loading...

Large ribosomal subunit protein eL31

AlphaFold DB , UniProt , Accession A0A077YYZ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 122 aa.

						>A0A077YYZ8_TRITR|A0A077YYZ8
MAKAKKDTRDKGATKDVVTREYTINLHKRIYGIGFKKRAPRAIKEIRKFARQQMRTEDVRIDTRLNKFIWNRGIRNVPFRVRVRLSRRRNEDEDSPHKMYTLVTYVHVDSFKSMLALASWVV
					

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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	49	Very low	54	Low	245 Å²	245	165.3 Å²	165.3	100%	1.207	84%	0.84	S	S	*	*				0	114.8	0	-64.6	-168.6	-176.9	0	0	108.7
2	A	54.5	Low	53.9	Low	109 Å²	109	154.9 Å²	154.9	90%	0.901	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-76.1	126.9	-171.2	0	0	0	0	0	111.8	A4	A2-A4 PolarHBondContact O-N 3.3Å
3	K	55	Low	54	Low	208 Å²	208	147 Å²	147	90%	0.904	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-74.3	117.5	173.1	-97.7	176.4	173.2	172.6	0	109.7	K5	K3-K5 PolarHBondContact O-N 3.35Å
4	A	59.1	Low	54.4	Low	102 Å²	102	144.9 Å²	144.9	84%	0.843	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-61.1	127.5	172.1	0	0	0	0	0	111.3	A2 K6	A2-A4 PolarHBondContact O-N 3.3Å; A4-K6 PolarHBondContact O-N 3.19Å
5	K	58	Low	55.3	Low	198 Å²	198	144.6 Å²	144.6	86%	0.861	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-69.3	117.8	170.8	-107.3	175	175.8	172.4	0	108.4	K3 D7	K3-K5 PolarHBondContact O-N 3.35Å; K5-D7 PolarHBondContact O-N 2.89Å
6	K	55.9	Low	56.7	Low	182 Å²	182	138.7 Å²	138.7	79%	0.791	73%	0.731	S	S	*	*			trans	-74	108.2	174.2	-173.5	178.5	-178.2	171	0	109.3	A4 T8	A4-K6 PolarHBondContact O-N 3.19Å; K6-T8 HydrophobicContact CG-CG2 4.39Å; K6-T8 PolarHBondContact O-N 3.11Å
7	D	52.2	Low	58.5	Low	129 Å²	129	134.9 Å²	134.9	69%	0.69	71%	0.714	S	S	*	*			trans	-65.7	99.7	170.5	-74.5	-55.2	0	0	0	110.7	K5 R9	K5-D7 PolarHBondContact O-N 2.89Å; D7-R9 VanDerWaalsContact C-N 3.35Å
8	T	56.2	Low	60.2	Low	119 Å²	119	128.8 Å²	128.8	73%	0.73	68%	0.683	S	S	*	*			trans	-99.4	40.7	169.7	36.8	0	0	0	0	111.5	K6	K6-T8 HydrophobicContact CG-CG2 4.39Å; K6-T8 PolarHBondContact O-N 3.11Å
9	R	51.3	Low	61.9	Low	208 Å²	208	124.9 Å²	124.9	79%	0.785	67%	0.665	S	S	*	*			trans	-103.9	80.5	-178.5	-63.4	179.5	-177.1	176.4	0.7	109.7	D7	D7-R9 VanDerWaalsContact C-N 3.35Å
10	D	52.3	Low	63.4	Low	149 Å²	149	124 Å²	124	80%	0.797	65%	0.652	S	S	*	*	S	Bend	trans	-179.9	15.3	154.3	-97.1	-32.4	0	0	0	116.5	G12	D10-G12 VanDerWaalsContact C-N 3.34Å
11	K	51.1	Low	64.8	Low	169 Å²	169	119.5 Å²	119.5	74%	0.735	63%	0.628	S	S	*	*	S	Bend	trans	-91.2	11.1	175.1	-65.4	-174.8	179.5	-179.5	0	114.3	K15	K11-K15 VanDerWaalsContact O-CD 3.25Å; K11-K15 WeakPolarHBondContact O-CD 3.4Å; K11-K15 VanDerWaalsContact O-CE 3.26Å; K11-K15 WeakPolarHBondContact O-CE 3.46Å; K11-K15 WeakPolarHBondContact O-CG 3.49Å
12	G	52.8	Low	66.8	Low	41 Å²	41	109.4 Å²	109.4	42%	0.423	58%	0.576	S	S	.	*	S	Bend	trans	-96	-46	-173.5	0	0	0	0	0	114.1	D10 T14 K15	D10-G12 VanDerWaalsContact C-N 3.34Å; G12-T14 PolarHBondContact O-N 3.16Å; G12-K15 PolarHBondContact O-N 3.45Å
13	A	54.2	Low	68.7	Low	52 Å²	52	105.8 Å²	105.8	43%	0.43	54%	0.543	S	S	.	.	H	α-helix	trans	-64	-36.1	-168.2	0	0	0	0	0	114.1
14	T	59.8	Low	70.5	Confident	117 Å²	117	96 Å²	96	72%	0.718	50%	0.5	S	S	*	.	H	α-helix	trans	-78	-19.7	176.4	31.6	0	0	0	0	113.6	G12 D16	G12-T14 PolarHBondContact O-N 3.16Å; T14-D16 PolarHBondContact O-N 2.94Å
15	K	68.4	Low	72.2	Confident	141 Å²	141	94.5 Å²	94.5	61%	0.613	48%	0.478	S	S	*	.	H	α-helix	trans	-75.8	-18.4	175.9	-69.5	-176.2	-177.3	179.5	0	112.4	K11 G12 V18 R87	K11-K15 VanDerWaalsContact O-CD 3.25Å; K11-K15 WeakPolarHBondContact O-CD 3.4Å; K11-K15 VanDerWaalsContact O-CE 3.26Å; K11-K15 WeakPolarHBondContact O-CE 3.46Å; K11-K15 WeakPolarHBondContact O-CG 3.49Å; G12-K15 PolarHBondContact O-N 3.45Å; K15-V18 VanDerWaalsContact O-CG2 3.25Å; K15-V18 WeakPolarHBondContact O-CG2 3.23Å; K15-R87 PolarHBondContact O-NH2 2.72Å
16	D	77.1	Confident	73.9	Confident	50 Å²	50	85 Å²	85	27%	0.267	44%	0.437	S	S	.	.	H	α-helix	trans	-77.8	-41.1	-175.8	-74.6	-16.4	0	0	0	112.5	T14 R87 M99	T14-D16 PolarHBondContact O-N 2.94Å; D16-R87 VanDerWaalsContact O-CZ 3.25Å; D16-R87 PolarHBondContact O-NE 3.4Å; D16-R87 PolarHBondContact O-NH2 3.06Å; D16-M99 HydrophobicContact CB-CE 3.5Å; D16-M99 VanDerWaalsContact CB-CE 3.5Å; D16-M99 HydrophobicContact CB-SD 4.26Å
17	V	86.9	Confident	75.7	Confident	74 Å²	74	80 Å²	80	45%	0.448	42%	0.416	S	S	.	.	S	Bend	trans	-90.5	118.1	176.3	-177.7	0	0	0	0	108.7	R87 R89	V17-R87 WeakPolarHBondContact CA-O 3.31Å; V17-R87 WeakPolarHBondContact CG1-O 3.25Å; V17-R89 HydrophobicContact CG2-CG 4.47Å
18	V	89.7	Confident	77.7	Confident	26 Å²	26	82.2 Å²	82.2	16%	0.158	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	128.8	-174.8	178.2	0	0	0	0	109.5	K15 R20 M54 R87	K15-V18 VanDerWaalsContact O-CG2 3.25Å; K15-V18 WeakPolarHBondContact O-CG2 3.23Å; V18-R20 HydrophobicContact CG1-CG 3.81Å; V18-M54 HydrophobicContact CG1-CE 4.37Å; V18-R87 PolarHBondContact N-O 3.35Å; V18-R87 PolarHBondContact O-N 2.85Å
19	T	92.6	Very high	79.5	Confident	55 Å²	55	79.9 Å²	79.9	34%	0.337	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.7	172	55.3	0	0	0	0	108.9	L85	T19-L85 CarbonylContact C-O 3.58Å; T19-L85 WeakPolarHBondContact CA-O 2.91Å
20	R	91.1	Very high	81.5	Confident	105 Å²	105	70 Å²	70	40%	0.396	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	143.5	179.8	-69.4	179.3	-172.4	174.2	1.4	110.7	V18 Y22 M54 R84 L85	V18-R20 HydrophobicContact CG1-CG 3.81Å; R20-Y22 HydrophobicContact CB-CD2 4.11Å; R20-Y22 HydrophobicContact CB-CE2 3.46Å; R20-Y22 VanDerWaalsContact CB-CE2 3.46Å; R20-Y22 WeakPolarHBondContact CD-OH 2.95Å; R20-Y22 HydrophobicContact CG-CE2 4.4Å; R20-Y22 PolarHBondContact NH1-OH 2.97Å; R20-M54 HydrophobicContact CB-CE 4.14Å; R20-M54 HydrophobicContact CG-CE 4.46Å; R20-R84 WeakPolarHBondContact O-CA 3.38Å; R20-L85 PolarHBondContact N-O 2.8Å; R20-L85 PolarHBondContact O-N 2.9Å
21	E	92.9	Very high	83.5	Confident	31 Å²	31	71.7 Å²	71.7	15%	0.145	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.2	173.8	-61.8	-167.3	168.9	0	0	111.6	R82 V83 R84	E21-R82 IonicContact OE2-CZ 3.36Å; E21-R82 IonicContact OE2-NE 2.77Å; E21-R82 PolarHBondContact OE2-NE 3.03Å; E21-R82 IonicContact OE2-NH2 3Å; E21-R82 PolarHBondContact OE2-NH2 2.93Å; E21-V83 WeakPolarHBondContact CA-O 3.49Å; E21-R84 HydrophobicContact CG-CB 4.13Å; E21-R84 HydrophobicContact CG-CG 4.14Å; E21-R84 IonicContact OE1-CZ 3.01Å; E21-R84 VanDerWaalsContact OE1-CZ 3.32Å; E21-R84 IonicContact OE1-NE 3.89Å; E21-R84 PolarHBondContact OE1-NE 2.69Å; E21-R84 IonicContact OE1-NH2 3.06Å; E21-R84 PolarHBondContact OE1-NH2 3.3Å
22	Y	92.7	Very high	85.5	Confident	32 Å²	32	67.2 Å²	67.2	13%	0.125	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.9	-179.3	-69.1	-79.2	0	0	0	110.6	R20 F49 Q53 R82 V83 L85 A116	R20-Y22 HydrophobicContact CB-CD2 4.11Å; R20-Y22 HydrophobicContact CB-CE2 3.46Å; R20-Y22 VanDerWaalsContact CB-CE2 3.46Å; R20-Y22 WeakPolarHBondContact CD-OH 2.95Å; R20-Y22 HydrophobicContact CG-CE2 4.4Å; R20-Y22 PolarHBondContact NH1-OH 2.97Å; Y22-F49 HydrophobicContact CD1-CE1 4.46Å; Y22-F49 HydrophobicContact CD1-CZ 4.18Å; Y22-F49 HydrophobicContact CD2-CE1 4.37Å; Y22-F49 AromaticContact CG-CE1 3.97Å; Y22-F49 HydrophobicContact CG-CE1 3.97Å; Y22-F49 HydrophobicContact CG-CZ 4.15Å; Y22-Q53 HydrophobicContact CE2-CB 4.39Å; Y22-Q53 PolarHBondContact OH-OE1 3.1Å; Y22-R82 WeakPolarHBondContact O-CA 3.25Å; Y22-V83 PolarHBondContact N-O 3.03Å; Y22-V83 PolarHBondContact O-N 2.72Å; Y22-L85 HydrophobicContact CD2-CB 4.5Å; Y22-L85 HydrophobicContact CD2-CD1 3.61Å; Y22-L85 HydrophobicContact CD2-CG 4.05Å; Y22-L85 HydrophobicContact CE2-CD1 3.86Å; Y22-A116 HydrophobicContact CD1-CB 4.44Å
23	T	93.3	Very high	87.4	Confident	33 Å²	33	67.4 Å²	67.4	20%	0.202	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	112.9	167.7	-53	0	0	0	0	108.9	R80 V81 R82 F111	T23-R80 HydrophobicContact CG2-CB 4.22Å; T23-V81 CarbonylContact C-O 3.58Å; T23-V81 WeakPolarHBondContact CA-O 3.28Å; T23-R82 VanDerWaalsContact OG1-CD 3.25Å; T23-R82 WeakPolarHBondContact OG1-CD 3.33Å; T23-R82 PolarHBondContact OG1-NH1 2.87Å; T23-F111 HydrophobicContact CG2-CD1 3.73Å; T23-F111 HydrophobicContact CG2-CE1 4Å
24	I	93.8	Very high	89.3	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.01	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124	177.5	-57.4	175.6	0	0	0	108.9	L26 I46 F49 R80 V81 V83	I24-L26 HydrophobicContact CG2-CD2 3.72Å; I24-L26 HydrophobicContact CG2-CG 4.28Å; I24-L26 PolarHBondContact O-N 3.32Å; I24-I46 HydrophobicContact CD1-CB 4.4Å; I24-I46 HydrophobicContact CD1-CG1 3.97Å; I24-I46 HydrophobicContact CD1-CG2 4.18Å; I24-F49 HydrophobicContact CD1-CB 4.29Å; I24-F49 HydrophobicContact CD1-CD1 3.45Å; I24-F49 VanDerWaalsContact CD1-CD1 3.45Å; I24-F49 HydrophobicContact CD1-CE1 4.02Å; I24-F49 HydrophobicContact CD1-CG 4.05Å; I24-F49 HydrophobicContact CG1-CD1 3.58Å; I24-F49 HydrophobicContact CG1-CE1 3.69Å; I24-F49 HydrophobicContact CG1-CG 4.16Å; I24-F49 HydrophobicContact CG1-CZ 4.33Å; I24-R80 VanDerWaalsContact O-CA 3.27Å; I24-R80 WeakPolarHBondContact O-CA 3.48Å; I24-V81 PolarHBondContact N-O 3.17Å; I24-V81 PolarHBondContact O-N 2.98Å; I24-V83 HydrophobicContact CD1-CG1 4.22Å; I24-V83 HydrophobicContact CD1-CG2 3.61Å; I24-V83 HydrophobicContact CG1-CG2 3.96Å
25	N	93.6	Very high	90.9	Very high	71 Å²	71	66.8 Å²	66.8	38%	0.38	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	101.5	166.9	-175.5	-16.3	0	0	0	109.2	H27 K28 R29 F79	N25-H27 WeakPolarHBondContact OD1-CB 3.49Å; N25-H27 PolarHBondContact OD1-N 3.17Å; N25-H27 VanDerWaalsContact OD1-N 3.12Å; N25-K28 PolarHBondContact OD1-N 3.04Å; N25-K28 VanDerWaalsContact OD1-N 3.17Å; N25-R29 WeakPolarHBondContact O-CD 3.5Å; N25-R29 WeakPolarHBondContact O-CG 3.5Å; N25-F79 PolarHBondContact OD1-O 2.99Å
26	L	94.9	Very high	92.2	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.35	C	S	.	.			trans	-79.3	-31.6	177.1	-66	-179.3	0	0	0	111.7	I24 K28 R29 I30 A42 I46 V77 P78 F79 V81	I24-L26 HydrophobicContact CG2-CD2 3.72Å; I24-L26 HydrophobicContact CG2-CG 4.28Å; I24-L26 PolarHBondContact O-N 3.32Å; L26-K28 VanDerWaalsContact C-N 3.33Å; L26-K28 PolarHBondContact O-N 2.77Å; L26-R29 PolarHBondContact O-N 3.27Å; L26-I30 VanDerWaalsContact O-CG1 3.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.47Å; L26-I30 PolarHBondContact O-N 3.13Å; L26-A42 HydrophobicContact CD1-CB 4.19Å; L26-A42 HydrophobicContact CD2-CB 4.38Å; L26-I46 HydrophobicContact CD1-CD1 4.36Å; L26-I46 HydrophobicContact CD2-CD1 4.14Å; L26-I46 HydrophobicContact CD2-CG1 3.84Å; L26-V77 HydrophobicContact CD1-CG1 3.69Å; L26-P78 WeakPolarHBondContact CB-O 3.44Å; L26-F79 PolarHBondContact N-O 3.22Å; L26-V81 HydrophobicContact CD1-CG2 3.41Å; L26-V81 VanDerWaalsContact CD1-CG2 3.41Å; L26-V81 HydrophobicContact CG-CG2 4.15Å
27	H	93.1	Very high	93.1	Very high	77 Å²	77	73.3 Å²	73.3	36%	0.356	37%	0.368	S	S	.	.	H	α-helix	trans	-54.9	-47.8	-178.6	-175.6	-107.7	0	0	0	112	N25 R29 I30 Y31 F79	N25-H27 WeakPolarHBondContact OD1-CB 3.49Å; N25-H27 PolarHBondContact OD1-N 3.17Å; N25-H27 VanDerWaalsContact OD1-N 3.12Å; H27-R29 VanDerWaalsContact C-N 3.25Å; H27-R29 PolarHBondContact O-N 2.87Å; H27-I30 PolarHBondContact O-N 3.13Å; H27-Y31 PolarHBondContact O-N 3.45Å; H27-Y31 VanDerWaalsContact O-N 3.16Å; H27-F79 HydrophobicContact CB-CB 4.03Å; H27-F79 HydrophobicContact CB-CD1 4.07Å; H27-F79 HydrophobicContact CB-CG 4.17Å; H27-F79 AromaticContact CD2-CD1 3.68Å; H27-F79 AromaticContact CD2-CE1 3.66Å; H27-F79 PolarHBondContact N-O 2.85Å; H27-F79 VanDerWaalsContact N-O 3.1Å
28	K	94.6	Very high	93.5	Very high	174 Å²	174	71.4 Å²	71.4	76%	0.757	35%	0.352	S	S	*	.	H	α-helix	trans	-62.4	-31.6	177.2	-173.7	173.2	-178.9	175.6	0	112.9	N25 L26	N25-K28 PolarHBondContact OD1-N 3.04Å; N25-K28 VanDerWaalsContact OD1-N 3.17Å; L26-K28 VanDerWaalsContact C-N 3.33Å; L26-K28 PolarHBondContact O-N 2.77Å
29	R	92.5	Very high	93.8	Very high	71 Å²	71	70.1 Å²	70.1	27%	0.268	35%	0.345	S	S	.	.	H	α-helix	trans	-86.4	-23.4	-174.7	-61.6	175.6	175.8	-104	-2.9	113.8	N25 L26 H27 E45	N25-R29 WeakPolarHBondContact O-CD 3.5Å; N25-R29 WeakPolarHBondContact O-CG 3.5Å; L26-R29 PolarHBondContact O-N 3.27Å; H27-R29 VanDerWaalsContact C-N 3.25Å; H27-R29 PolarHBondContact O-N 2.87Å; R29-E45 HydrophobicContact CB-CB 4.33Å; R29-E45 HydrophobicContact CB-CG 3.96Å; R29-E45 IonicContact NH1-OE2 3.35Å; R29-E45 PolarHBondContact NH1-OE2 3.21Å
30	I	94	Very high	94	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-106.1	4.6	-179.9	74.3	-170.8	0	0	0	112.8	L26 H27 I33 A42 V77	L26-I30 VanDerWaalsContact O-CG1 3.31Å; L26-I30 WeakPolarHBondContact O-CG1 3.47Å; L26-I30 PolarHBondContact O-N 3.13Å; H27-I30 PolarHBondContact O-N 3.13Å; I30-I33 HydrophobicContact CB-CD1 4.43Å; I30-I33 WeakPolarHBondContact O-CB 3.47Å; I30-I33 PolarHBondContact O-N 2.79Å; I30-A42 HydrophobicContact CG2-CB 4.27Å; I30-V77 HydrophobicContact CD1-CB 3.83Å; I30-V77 HydrophobicContact CD1-CG1 4.16Å; I30-V77 HydrophobicContact CD1-CG2 4.38Å
31	Y	93.5	Very high	94.2	Very high	183 Å²	183	69.9 Å²	69.9	72%	0.718	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	138	176.7	-173.7	-99.2	0	0	0	110.5	H27 I33	H27-Y31 PolarHBondContact O-N 3.45Å; H27-Y31 VanDerWaalsContact O-N 3.16Å; Y31-I33 PolarHBondContact O-N 3.41Å
32	G	93	Very high	94.4	Very high	76 Å²	76	68.4 Å²	68.4	78%	0.784	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	0.9	-178.2	0	0	0	0	0	115.8
33	I	93.8	Very high	94.5	Very high	44 Å²	44	68.3 Å²	68.3	23%	0.226	34%	0.339	C	S	.	.			trans	-89.3	133.9	-178.9	-57.2	-176.5	0	0	0	110.6	I30 Y31 K37 R38 R41	I30-I33 HydrophobicContact CB-CD1 4.43Å; I30-I33 WeakPolarHBondContact O-CB 3.47Å; I30-I33 PolarHBondContact O-N 2.79Å; Y31-I33 PolarHBondContact O-N 3.41Å; I33-K37 HydrophobicContact CG2-CB 3.85Å; I33-R38 HydrophobicContact CG2-CG 4.49Å; I33-R41 HydrophobicContact CD1-CB 3.93Å; I33-R41 HydrophobicContact CD1-CG 3.36Å
34	G	94.7	Very high	94.7	Very high	50 Å²	50	73.5 Å²	73.5	52%	0.515	36%	0.358	S	S	.	.			trans	-52.7	140.8	175.8	0	0	0	0	0	112.7	K36 K37	G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 3Å; G34-K36 VanDerWaalsContact O-N 3.11Å; G34-K37 PolarHBondContact O-N 3.32Å
35	F	93.5	Very high	94.8	Very high	107 Å²	107	74.1 Å²	74.1	47%	0.469	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-55.5	-37.6	-168.5	-63.8	-45.1	0	0	0	114.3	K37 R75	F35-K37 PolarHBondContact O-N 3.47Å; F35-R75 HydrophobicContact CB-CB 4.27Å; F35-R75 HydrophobicContact CB-CG 3.82Å; F35-R75 HydrophobicContact CD1-CG 3.65Å; F35-R75 HydrophobicContact CE1-CG 4.44Å; F35-R75 VanDerWaalsContact CE2-NH2 3.29Å; F35-R75 HydrophobicContact CG-CG 3.83Å
36	K	95.2	Very high	94.9	Very high	178 Å²	178	70.7 Å²	70.7	77%	0.774	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-69.1	-8.1	178.3	-63.1	-177.1	174.4	179.8	0	114.1	G34 I74	G34-K36 VanDerWaalsContact C-N 3.26Å; G34-K36 PolarHBondContact O-N 3Å; G34-K36 VanDerWaalsContact O-N 3.11Å; K36-I74 WeakPolarHBondContact O-CD1 3.19Å; K36-I74 WeakPolarHBondContact O-CG1 3.36Å
37	K	95.5	Very high	95	Very high	149 Å²	149	76.3 Å²	76.3	65%	0.648	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-116.5	1.7	-177	-63.9	-177.8	-178.5	177.3	0	113.4	I33 G34 F35 R41	I33-K37 HydrophobicContact CG2-CB 3.85Å; G34-K37 PolarHBondContact O-N 3.32Å; F35-K37 PolarHBondContact O-N 3.47Å; K37-R41 VanDerWaalsContact O-CB 3.23Å; K37-R41 WeakPolarHBondContact O-CB 3.45Å; K37-R41 PolarHBondContact O-N 3.12Å
38	R	95.9	Very high	95.1	Very high	34 Å²	34	78.5 Å²	78.5	13%	0.128	37%	0.372	C	S	.	.	H	α-helix	trans	-67.8	-54.6	-172.4	-65.4	-177.1	82.3	-167.5	16	113	I33 R41 A42 I74 R75 V77	I33-R38 HydrophobicContact CG2-CG 4.49Å; R38-R41 PolarHBondContact O-N 3.1Å; R38-A42 WeakPolarHBondContact O-CB 3.31Å; R38-A42 PolarHBondContact O-N 3.21Å; R38-I74 WeakPolarHBondContact CB-O 3.37Å; R38-R75 WeakPolarHBondContact CD-O 3.5Å; R38-R75 PolarHBondContact NH1-O 2.86Å; R38-V77 HydrophobicContact CB-CG2 3.96Å
39	A	95.1	Very high	95.2	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.7	-46.3	179	0	0	0	0	0	113.4	R41 A42 I43 I69 W70 I74 V77	A39-R41 VanDerWaalsContact C-N 3.29Å; A39-R41 PolarHBondContact O-N 3.37Å; A39-A42 WeakPolarHBondContact O-CB 3.45Å; A39-A42 PolarHBondContact O-N 3.46Å; A39-A42 VanDerWaalsContact O-N 3.13Å; A39-I43 WeakPolarHBondContact O-CG1 3.43Å; A39-I43 PolarHBondContact O-N 2.9Å; A39-I69 HydrophobicContact CB-CG2 4.46Å; A39-W70 HydrophobicContact CB-CD2 3.79Å; A39-W70 HydrophobicContact CB-CE3 3.77Å; A39-W70 HydrophobicContact CB-CH2 3.82Å; A39-W70 HydrophobicContact CB-CZ2 3.82Å; A39-W70 HydrophobicContact CB-CZ3 3.8Å; A39-I74 HydrophobicContact CB-CG1 4.37Å; A39-I74 PolarHBondContact N-O 3.01Å; A39-I74 VanDerWaalsContact N-O 3.13Å; A39-V77 HydrophobicContact CB-CG2 3.88Å
40	P	96.4	Very high	95.3	Very high	49 Å²	49	67.9 Å²	67.9	32%	0.318	33%	0.328	S	S	.	.	H	α-helix	trans	-58.6	-38.6	173	-26.1	34.5	0	0	0	113.4	K44 W70	P40-K44 WeakPolarHBondContact O-CG 3.43Å; P40-K44 PolarHBondContact O-N 3.5Å; P40-W70 HydrophobicContact CG-CH2 3.79Å; P40-W70 HydrophobicContact CG-CZ2 3.95Å
41	R	96.3	Very high	95.4	Very high	106 Å²	106	73.5 Å²	73.5	40%	0.4	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-44.3	174.9	-173.8	81.5	-173.9	-174.2	-0.2	111.4	I33 K37 R38 A39 I43 K44 E45	I33-R41 HydrophobicContact CD1-CB 3.93Å; I33-R41 HydrophobicContact CD1-CG 3.36Å; K37-R41 VanDerWaalsContact O-CB 3.23Å; K37-R41 WeakPolarHBondContact O-CB 3.45Å; K37-R41 PolarHBondContact O-N 3.12Å; R38-R41 PolarHBondContact O-N 3.1Å; A39-R41 VanDerWaalsContact C-N 3.29Å; A39-R41 PolarHBondContact O-N 3.37Å; R41-I43 PolarHBondContact O-N 2.85Å; R41-K44 WeakPolarHBondContact O-CA 3.5Å; R41-K44 WeakPolarHBondContact O-CB 3.28Å; R41-K44 PolarHBondContact O-N 3.5Å; R41-E45 HydrophobicContact CG-CG 4.02Å; R41-E45 IonicContact CZ-OE1 3.49Å; R41-E45 IonicContact NE-OE1 3.65Å; R41-E45 PolarHBondContact NE-OE1 3.28Å; R41-E45 IonicContact NH2-OE1 3.93Å; R41-E45 PolarHBondContact NH2-OE1 3.29Å; R41-E45 WeakPolarHBondContact O-CB 3.43Å; R41-E45 WeakPolarHBondContact O-CG 3.5Å; R41-E45 PolarHBondContact O-N 3.3Å
42	A	96.4	Very high	95.4	Very high	0 Å²	0	71 Å²	71	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-55.1	-42.5	-179	0	0	0	0	0	111.8	L26 I30 R38 A39 E45 I46 I69 V77	L26-A42 HydrophobicContact CD1-CB 4.19Å; L26-A42 HydrophobicContact CD2-CB 4.38Å; I30-A42 HydrophobicContact CG2-CB 4.27Å; R38-A42 WeakPolarHBondContact O-CB 3.31Å; R38-A42 PolarHBondContact O-N 3.21Å; A39-A42 WeakPolarHBondContact O-CB 3.45Å; A39-A42 PolarHBondContact O-N 3.46Å; A39-A42 VanDerWaalsContact O-N 3.13Å; A42-E45 PolarHBondContact O-N 2.94Å; A42-I46 VanDerWaalsContact O-CG1 3.28Å; A42-I46 WeakPolarHBondContact O-CG1 3.45Å; A42-I46 PolarHBondContact O-N 3.39Å; A42-I69 HydrophobicContact CB-CG2 4.02Å; A42-V77 HydrophobicContact CB-CG1 3.71Å; A42-V77 HydrophobicContact CB-CG2 4.34Å
43	I	96.3	Very high	95.4	Very high	30 Å²	30	70.5 Å²	70.5	15%	0.154	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-46.4	175.3	-59.9	164.1	0	0	0	111.3	A39 R41 E45 I46 R47 I61 N66 I69 W70	A39-I43 WeakPolarHBondContact O-CG1 3.43Å; A39-I43 PolarHBondContact O-N 2.9Å; R41-I43 PolarHBondContact O-N 2.85Å; I43-E45 VanDerWaalsContact C-N 3.28Å; I43-E45 PolarHBondContact O-N 3.39Å; I43-I46 PolarHBondContact O-N 3.39Å; I43-R47 PolarHBondContact O-N 2.89Å; I43-I61 HydrophobicContact CG2-CD1 3.54Å; I43-N66 WeakPolarHBondContact CD1-OD1 3.47Å; I43-I69 HydrophobicContact CG1-CD1 4.1Å; I43-I69 HydrophobicContact CG1-CG2 4.25Å; I43-W70 HydrophobicContact CD1-CZ2 4.22Å
44	K	96.4	Very high	95.3	Very high	142 Å²	142	68.6 Å²	68.6	62%	0.617	31%	0.312	S	S	*	.	H	α-helix	trans	-60.3	-39.5	176.5	-69.9	-178.7	179	-173.2	0	111.7	P40 R41 R47 K48	P40-K44 WeakPolarHBondContact O-CG 3.43Å; P40-K44 PolarHBondContact O-N 3.5Å; R41-K44 WeakPolarHBondContact O-CA 3.5Å; R41-K44 WeakPolarHBondContact O-CB 3.28Å; R41-K44 PolarHBondContact O-N 3.5Å; K44-R47 PolarHBondContact O-N 2.94Å; K44-K48 WeakPolarHBondContact O-CB 3.41Å; K44-K48 PolarHBondContact O-N 3.07Å
45	E	96	Very high	95.1	Very high	14 Å²	14	77 Å²	77	7%	0.065	33%	0.328	C	S	.	.	H	α-helix	trans	-69.6	-37.8	178.2	-76	-63.2	150.1	0	0	112.9	R29 R41 A42 I43 K48 F49	R29-E45 HydrophobicContact CB-CB 4.33Å; R29-E45 HydrophobicContact CB-CG 3.96Å; R29-E45 IonicContact NH1-OE2 3.35Å; R29-E45 PolarHBondContact NH1-OE2 3.21Å; R41-E45 HydrophobicContact CG-CG 4.02Å; R41-E45 IonicContact CZ-OE1 3.49Å; R41-E45 IonicContact NE-OE1 3.65Å; R41-E45 PolarHBondContact NE-OE1 3.28Å; R41-E45 IonicContact NH2-OE1 3.93Å; R41-E45 PolarHBondContact NH2-OE1 3.29Å; R41-E45 WeakPolarHBondContact O-CB 3.43Å; R41-E45 WeakPolarHBondContact O-CG 3.5Å; R41-E45 PolarHBondContact O-N 3.3Å; A42-E45 PolarHBondContact O-N 2.94Å; I43-E45 VanDerWaalsContact C-N 3.28Å; I43-E45 PolarHBondContact O-N 3.39Å; E45-K48 PolarHBondContact O-N 3.48Å; E45-F49 WeakPolarHBondContact O-CB 3.37Å; E45-F49 PolarHBondContact O-N 3.22Å
46	I	96	Very high	94.9	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-44.4	172	-70	165.4	0	0	0	110	I24 L26 A42 I43 K48 F49 A50 L65 I69 V103	I24-I46 HydrophobicContact CD1-CB 4.4Å; I24-I46 HydrophobicContact CD1-CG1 3.97Å; I24-I46 HydrophobicContact CD1-CG2 4.18Å; L26-I46 HydrophobicContact CD1-CD1 4.36Å; L26-I46 HydrophobicContact CD2-CD1 4.14Å; L26-I46 HydrophobicContact CD2-CG1 3.84Å; A42-I46 VanDerWaalsContact O-CG1 3.28Å; A42-I46 WeakPolarHBondContact O-CG1 3.45Å; A42-I46 PolarHBondContact O-N 3.39Å; I43-I46 PolarHBondContact O-N 3.39Å; I46-K48 VanDerWaalsContact C-N 3.35Å; I46-K48 PolarHBondContact O-N 2.99Å; I46-F49 PolarHBondContact O-N 2.86Å; I46-A50 WeakPolarHBondContact O-CB 3.27Å; I46-A50 PolarHBondContact O-N 2.81Å; I46-L65 HydrophobicContact CG2-CD2 4.24Å; I46-I69 HydrophobicContact CD1-CD1 3.31Å; I46-I69 HydrophobicContact CD1-CG1 4.01Å; I46-V103 HydrophobicContact CG2-CG1 4Å
47	R	96.4	Very high	94.8	Very high	118 Å²	118	69.9 Å²	69.9	45%	0.445	30%	0.3	S	S	.	.	H	α-helix	trans	-59.2	-46.2	175.5	-166.1	-179.9	-72.2	177.5	-2.5	111.5	I43 K44 F49 A50 R51 V59 I61	I43-R47 PolarHBondContact O-N 2.89Å; K44-R47 PolarHBondContact O-N 2.94Å; R47-F49 VanDerWaalsContact C-N 3.34Å; R47-F49 PolarHBondContact O-N 3.12Å; R47-A50 PolarHBondContact O-N 3.39Å; R47-R51 WeakPolarHBondContact O-CB 3.37Å; R47-R51 PolarHBondContact O-N 3.23Å; R47-V59 HydrophobicContact CG-CB 3.84Å; R47-V59 HydrophobicContact CG-CG1 3.93Å; R47-V59 HydrophobicContact CG-CG2 4.44Å; R47-I61 HydrophobicContact CB-CD1 4.33Å
48	K	96.5	Very high	94.7	Very high	122 Å²	122	64.7 Å²	64.7	53%	0.53	28%	0.279	S	S	.	.	H	α-helix	trans	-60.5	-43.1	176.1	-174.9	178.7	179.5	-180	0	111.7	K44 E45 I46 Q52	K44-K48 WeakPolarHBondContact O-CB 3.41Å; K44-K48 PolarHBondContact O-N 3.07Å; E45-K48 PolarHBondContact O-N 3.48Å; I46-K48 VanDerWaalsContact C-N 3.35Å; I46-K48 PolarHBondContact O-N 2.99Å; K48-Q52 WeakPolarHBondContact O-CB 3.46Å; K48-Q52 PolarHBondContact O-N 3.01Å
49	F	95.5	Very high	94.7	Very high	23 Å²	23	63.5 Å²	63.5	10%	0.101	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-46.5	177.8	-178.1	-100.3	0	0	0	112.1	Y22 I24 E45 I46 R47 R51 Q52 Q53 L85	Y22-F49 HydrophobicContact CD1-CE1 4.46Å; Y22-F49 HydrophobicContact CD1-CZ 4.18Å; Y22-F49 HydrophobicContact CD2-CE1 4.37Å; Y22-F49 AromaticContact CG-CE1 3.97Å; Y22-F49 HydrophobicContact CG-CE1 3.97Å; Y22-F49 HydrophobicContact CG-CZ 4.15Å; I24-F49 HydrophobicContact CD1-CB 4.29Å; I24-F49 HydrophobicContact CD1-CD1 3.45Å; I24-F49 VanDerWaalsContact CD1-CD1 3.45Å; I24-F49 HydrophobicContact CD1-CE1 4.02Å; I24-F49 HydrophobicContact CD1-CG 4.05Å; I24-F49 HydrophobicContact CG1-CD1 3.58Å; I24-F49 HydrophobicContact CG1-CE1 3.69Å; I24-F49 HydrophobicContact CG1-CG 4.16Å; I24-F49 HydrophobicContact CG1-CZ 4.33Å; E45-F49 WeakPolarHBondContact O-CB 3.37Å; E45-F49 PolarHBondContact O-N 3.22Å; I46-F49 PolarHBondContact O-N 2.86Å; R47-F49 VanDerWaalsContact C-N 3.34Å; R47-F49 PolarHBondContact O-N 3.12Å; F49-R51 PolarHBondContact O-N 3.14Å; F49-Q52 PolarHBondContact O-N 3.39Å; F49-Q53 HydrophobicContact CD1-CG 4.18Å; F49-Q53 HydrophobicContact CD2-CG 4.29Å; F49-Q53 HydrophobicContact CE1-CG 3.77Å; F49-Q53 HydrophobicContact CE2-CG 3.93Å; F49-Q53 HydrophobicContact CG-CG 4.46Å; F49-Q53 HydrophobicContact CZ-CG 3.66Å; F49-Q53 WeakPolarHBondContact O-CG 3.27Å; F49-Q53 PolarHBondContact O-N 3Å; F49-L85 HydrophobicContact CD1-CD1 4.47Å; F49-L85 HydrophobicContact CE1-CD1 4.34Å
50	A	95.2	Very high	94.7	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-45.1	178.2	0	0	0	0	0	111.8	I46 R47 Q52 Q53 M54 V59 L85 T101 V103	I46-A50 WeakPolarHBondContact O-CB 3.27Å; I46-A50 PolarHBondContact O-N 2.81Å; R47-A50 PolarHBondContact O-N 3.39Å; A50-Q52 VanDerWaalsContact C-N 3.32Å; A50-Q52 PolarHBondContact O-N 3.48Å; A50-Q53 PolarHBondContact O-N 3.3Å; A50-M54 PolarHBondContact O-N 2.96Å; A50-V59 HydrophobicContact CB-CG1 3.68Å; A50-V59 HydrophobicContact CB-CG2 4.2Å; A50-L85 HydrophobicContact CB-CD1 4.4Å; A50-L85 HydrophobicContact CB-CD2 3.67Å; A50-T101 HydrophobicContact CB-CG2 4.38Å; A50-V103 HydrophobicContact CB-CG2 3.78Å
51	R	95.3	Very high	94.7	Very high	118 Å²	118	67.2 Å²	67.2	45%	0.445	29%	0.286	S	S	.	.	H	α-helix	trans	-56.6	-44.9	174.6	179.7	173.9	-59.7	152.7	-3.6	112.1	R47 F49 R55 T56 E57 V59	R47-R51 WeakPolarHBondContact O-CB 3.37Å; R47-R51 PolarHBondContact O-N 3.23Å; F49-R51 PolarHBondContact O-N 3.14Å; R51-R55 WeakPolarHBondContact O-CA 3.27Å; R51-R55 PolarHBondContact O-N 3.35Å; R51-T56 WeakPolarHBondContact CG-O 3.22Å; R51-E57 PolarHBondContact NH2-O 3.13Å; R51-E57 VanDerWaalsContact NH2-O 3.13Å; R51-V59 HydrophobicContact CB-CG2 4.26Å
52	Q	94.1	Very high	94.7	Very high	130 Å²	130	64.2 Å²	64.2	61%	0.607	28%	0.278	S	S	*	.	H	α-helix	trans	-67.5	-40.7	-179.9	-171.3	178.2	19.3	0	0	112.8	K48 F49 A50	K48-Q52 WeakPolarHBondContact O-CB 3.46Å; K48-Q52 PolarHBondContact O-N 3.01Å; F49-Q52 PolarHBondContact O-N 3.39Å; A50-Q52 VanDerWaalsContact C-N 3.32Å; A50-Q52 PolarHBondContact O-N 3.48Å
53	Q	92.4	Very high	94.7	Very high	66 Å²	66	68.7 Å²	68.7	31%	0.308	31%	0.305	S	S	.	.	H	α-helix	trans	-76.1	-42.3	-177.2	-67.5	-57.4	-56.2	0	0	112.9	Y22 F49 A50 L85	Y22-Q53 HydrophobicContact CE2-CB 4.39Å; Y22-Q53 PolarHBondContact OH-OE1 3.1Å; F49-Q53 HydrophobicContact CD1-CG 4.18Å; F49-Q53 HydrophobicContact CD2-CG 4.29Å; F49-Q53 HydrophobicContact CE1-CG 3.77Å; F49-Q53 HydrophobicContact CE2-CG 3.93Å; F49-Q53 HydrophobicContact CG-CG 4.46Å; F49-Q53 HydrophobicContact CZ-CG 3.66Å; F49-Q53 WeakPolarHBondContact O-CG 3.27Å; F49-Q53 PolarHBondContact O-N 3Å; A50-Q53 PolarHBondContact O-N 3.3Å; Q53-L85 HydrophobicContact CB-CD1 4Å; Q53-L85 HydrophobicContact CG-CD1 4.48Å
54	M	91.4	Very high	94.7	Very high	5 Å²	5	76.2 Å²	76.2	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-94.5	-14	-175.3	-68.6	-58	-175.8	0	0	114.3	V18 R20 A50 T56 L85 R87 T101	V18-M54 HydrophobicContact CG1-CE 4.37Å; R20-M54 HydrophobicContact CB-CE 4.14Å; R20-M54 HydrophobicContact CG-CE 4.46Å; A50-M54 PolarHBondContact O-N 2.96Å; M54-T56 VanDerWaalsContact C-N 3.29Å; M54-T56 HydrophobicContact CB-CG2 4.32Å; M54-T56 PolarHBondContact O-N 3.14Å; M54-L85 HydrophobicContact CE-CB 3.29Å; M54-L85 HydrophobicContact CE-CD1 4.35Å; M54-L85 HydrophobicContact CE-CG 4.45Å; M54-L85 VanDerWaalsContact CE-O 3.25Å; M54-L85 WeakPolarHBondContact CE-O 3.5Å; M54-L85 HydrophobicContact CG-CB 4.2Å; M54-L85 HydrophobicContact CG-CD1 4.29Å; M54-R87 HydrophobicContact CG-CB 4.49Å; M54-R87 PolarHBondContact O-NH1 3.43Å; M54-R87 HydrophobicContact SD-CB 4.09Å; M54-T101 HydrophobicContact CB-CG2 4.26Å; M54-T101 WeakPolarHBondContact CB-OG1 3.37Å; M54-T101 HydrophobicContact CG-CG2 3.8Å
55	R	90.5	Very high	94.7	Very high	226 Å²	226	69.4 Å²	69.4	85%	0.853	30%	0.302	S	S	*	.			trans	57.7	40	-175.8	-54.2	179	-174.9	178.2	-1.8	112.6	R51	R51-R55 WeakPolarHBondContact O-CA 3.27Å; R51-R55 PolarHBondContact O-N 3.35Å
56	T	90.8	Very high	94.7	Very high	9 Å²	9	71.8 Å²	71.8	6%	0.055	32%	0.315	C	S	.	.			trans	-116.7	139.1	175	63.4	0	0	0	0	110.6	R51 M54 D58 R87 M99 T101	R51-T56 WeakPolarHBondContact CG-O 3.22Å; M54-T56 VanDerWaalsContact C-N 3.29Å; M54-T56 HydrophobicContact CB-CG2 4.32Å; M54-T56 PolarHBondContact O-N 3.14Å; T56-D58 PolarHBondContact OG1-O 3.29Å; T56-R87 HydrophobicContact CG2-CG 3.86Å; T56-M99 HydrophobicContact CG2-CB 4.21Å; T56-T101 WeakPolarHBondContact OG1-CB 3.49Å; T56-T101 PolarHBondContact OG1-OG1 3.04Å
57	E	92.4	Very high	94.8	Very high	127 Å²	127	79 Å²	79	59%	0.593	35%	0.347	S	S	*	.	S	Bend	trans	-77.4	-43.3	178.2	-64	-167.4	169.3	0	0	111.9	R51 H97	R51-E57 PolarHBondContact NH2-O 3.13Å; R51-E57 VanDerWaalsContact NH2-O 3.13Å; E57-H97 IonicContact OE2-CE1 3.32Å; E57-H97 PolarHBondContact OE2-CE1 3.27Å; E57-H97 IonicContact OE2-ND1 2.72Å; E57-H97 IonicContact OE2-NE2 3.54Å
58	D	93.3	Very high	94.8	Very high	39 Å²	39	75.4 Å²	75.4	21%	0.209	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121.2	172.2	-171.3	9.7	0	0	0	110.7	T56 R60 Y100 T101	T56-D58 PolarHBondContact OG1-O 3.29Å; D58-R60 IonicContact OD1-NE 3.17Å; D58-R60 IonicContact OD2-CZ 2.96Å; D58-R60 IonicContact OD2-NE 3.59Å; D58-R60 PolarHBondContact OD2-NE 3.39Å; D58-R60 IonicContact OD2-NH2 3.87Å; D58-R60 PolarHBondContact OD2-NH2 2.89Å; D58-Y100 VanDerWaalsContact OD2-CB 3.31Å; D58-Y100 WeakPolarHBondContact OD2-CB 3.15Å; D58-T101 PolarHBondContact O-N 3.47Å
59	V	95.6	Very high	94.7	Very high	9 Å²	9	69.6 Å²	69.6	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	111.3	179.7	177.7	0	0	0	0	108.3	R47 A50 R51 T101 V103	R47-V59 HydrophobicContact CG-CB 3.84Å; R47-V59 HydrophobicContact CG-CG1 3.93Å; R47-V59 HydrophobicContact CG-CG2 4.44Å; A50-V59 HydrophobicContact CB-CG1 3.68Å; A50-V59 HydrophobicContact CB-CG2 4.2Å; R51-V59 HydrophobicContact CB-CG2 4.26Å; V59-T101 WeakPolarHBondContact CA-O 3.25Å; V59-V103 HydrophobicContact CG1-CG2 3.67Å
60	R	95.2	Very high	94.8	Very high	88 Å²	88	72.8 Å²	72.8	33%	0.332	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.1	179.9	-55.9	-176.6	-171.1	-175.1	3	108.6	D58 Y100 T101 L102 V103	D58-R60 IonicContact OD1-NE 3.17Å; D58-R60 IonicContact OD2-CZ 2.96Å; D58-R60 IonicContact OD2-NE 3.59Å; D58-R60 PolarHBondContact OD2-NE 3.39Å; D58-R60 IonicContact OD2-NH2 3.87Å; D58-R60 PolarHBondContact OD2-NH2 2.89Å; R60-Y100 HydrophobicContact CG-CD2 4.36Å; R60-T101 PolarHBondContact N-O 3.29Å; R60-L102 HydrophobicContact CB-CD1 4.18Å; R60-V103 PolarHBondContact O-N 2.91Å
61	I	96.5	Very high	94.7	Very high	39 Å²	39	76.9 Å²	76.9	20%	0.2	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.7	179.7	-65.7	175.8	0	0	0	107.7	I43 R47 L65	I43-I61 HydrophobicContact CG2-CD1 3.54Å; R47-I61 HydrophobicContact CB-CD1 4.33Å; I61-L65 HydrophobicContact CG2-CB 4.31Å; I61-L65 HydrophobicContact CG2-CD2 4.12Å; I61-L65 HydrophobicContact CG2-CG 4.24Å
62	D	96.7	Very high	94.7	Very high	44 Å²	44	80.1 Å²	80.1	24%	0.235	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-64	147.5	177.2	179.5	54	0	0	0	111.9	R64 L65 N66 V103 T104	D62-R64 VanDerWaalsContact C-N 3.28Å; D62-R64 PolarHBondContact O-N 3.06Å; D62-R64 WeakPolarHBondContact OD2-CB 3.45Å; D62-R64 WeakPolarHBondContact OD2-CG 3.2Å; D62-R64 PolarHBondContact OD2-N 3.41Å; D62-L65 WeakPolarHBondContact O-CB 3.46Å; D62-L65 PolarHBondContact O-N 3Å; D62-N66 PolarHBondContact O-N 3.48Å; D62-V103 VanDerWaalsContact CB-O 3.22Å; D62-V103 WeakPolarHBondContact CB-O 3.44Å; D62-V103 PolarHBondContact N-O 3.3Å; D62-T104 HydrophobicContact CB-CG2 4.17Å
63	T	96.7	Very high	94.7	Very high	94 Å²	94	75.4 Å²	75.4	58%	0.577	34%	0.341	S	S	*	.	H	α-helix	trans	-63.5	-32.8	-178.8	61.4	0	0	0	0	112.4	N66 K67	T63-N66 PolarHBondContact O-N 2.93Å; T63-K67 WeakPolarHBondContact O-CG 3.25Å; T63-K67 PolarHBondContact O-N 2.94Å
64	R	96.5	Very high	94.8	Very high	187 Å²	187	75.7 Å²	75.7	71%	0.706	34%	0.344	S	S	*	.	H	α-helix	trans	-67.7	-38.4	177.2	-57.3	179.1	172.9	-173.7	-2.1	111.2	D62 K67 F68	D62-R64 VanDerWaalsContact C-N 3.28Å; D62-R64 PolarHBondContact O-N 3.06Å; D62-R64 WeakPolarHBondContact OD2-CB 3.45Å; D62-R64 WeakPolarHBondContact OD2-CG 3.2Å; D62-R64 PolarHBondContact OD2-N 3.41Å; R64-K67 PolarHBondContact O-N 3.31Å; R64-F68 WeakPolarHBondContact O-CB 3.31Å; R64-F68 PolarHBondContact O-N 2.9Å
65	L	96.4	Very high	94.9	Very high	0 Å²	0	81.4 Å²	81.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-64.4	-42.3	173.6	179.4	56.2	0	0	0	111.4	I46 I61 D62 F68 I69 V81 V83 V103 Y105	I46-L65 HydrophobicContact CG2-CD2 4.24Å; I61-L65 HydrophobicContact CG2-CB 4.31Å; I61-L65 HydrophobicContact CG2-CD2 4.12Å; I61-L65 HydrophobicContact CG2-CG 4.24Å; D62-L65 WeakPolarHBondContact O-CB 3.46Å; D62-L65 PolarHBondContact O-N 3Å; L65-F68 PolarHBondContact O-N 3.42Å; L65-I69 HydrophobicContact CD1-CD1 4.12Å; L65-I69 HydrophobicContact CD1-CG1 4.31Å; L65-I69 HydrophobicContact CG-CD1 4.01Å; L65-I69 WeakPolarHBondContact O-CD1 3.22Å; L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.48Å; L65-I69 PolarHBondContact O-N 2.84Å; L65-V81 HydrophobicContact CD1-CG1 3.71Å; L65-V83 HydrophobicContact CD1-CG1 3.94Å; L65-V83 HydrophobicContact CD2-CG1 3.87Å; L65-V103 HydrophobicContact CD2-CB 4.09Å; L65-V103 HydrophobicContact CD2-CG1 3.33Å; L65-Y105 HydrophobicContact CD1-CD2 4.23Å
66	N	96.3	Very high	95.1	Very high	64 Å²	64	74.9 Å²	74.9	34%	0.342	35%	0.347	S	S	.	.	H	α-helix	trans	-59.8	-50.3	174	-171.6	56.8	0	0	0	111.2	I43 D62 T63 F68 I69 W70	I43-N66 WeakPolarHBondContact CD1-OD1 3.47Å; D62-N66 PolarHBondContact O-N 3.48Å; T63-N66 PolarHBondContact O-N 2.93Å; N66-F68 VanDerWaalsContact C-N 3.27Å; N66-F68 PolarHBondContact O-N 3.4Å; N66-I69 PolarHBondContact O-N 3.1Å; N66-I69 VanDerWaalsContact O-N 3.14Å; N66-W70 PolarHBondContact O-N 3.44Å; N66-W70 VanDerWaalsContact O-N 3.1Å; N66-W70 VanDerWaalsContact OD1-CD1 3.23Å; N66-W70 PolarHBondContact OD1-NE1 3.24Å
67	K	96.9	Very high	95.3	Very high	152 Å²	152	74.7 Å²	74.7	66%	0.661	35%	0.346	S	S	*	.	H	α-helix	trans	-55.5	-41.4	176.2	-72.7	177.4	-179.9	-176.7	0	112.2	T63 R64 W70 N71	T63-K67 WeakPolarHBondContact O-CG 3.25Å; T63-K67 PolarHBondContact O-N 2.94Å; R64-K67 PolarHBondContact O-N 3.31Å; K67-W70 CarbonylContact O-C 3.59Å; K67-W70 PolarHBondContact O-N 3.41Å; K67-N71 PolarHBondContact O-N 3.49Å
68	F	96	Very high	95.4	Very high	42 Å²	42	69.5 Å²	69.5	18%	0.184	32%	0.323	C	S	.	.	H	α-helix	trans	-64.3	-41.5	177.9	-177	-108.3	0	0	0	113.1	R64 L65 N66 W70 N71 P78 V81 Y105	R64-F68 WeakPolarHBondContact O-CB 3.31Å; R64-F68 PolarHBondContact O-N 2.9Å; L65-F68 PolarHBondContact O-N 3.42Å; N66-F68 VanDerWaalsContact C-N 3.27Å; N66-F68 PolarHBondContact O-N 3.4Å; F68-W70 VanDerWaalsContact C-N 3.29Å; F68-W70 PolarHBondContact O-N 2.99Å; F68-N71 PolarHBondContact O-N 3.22Å; F68-N71 PolarHBondContact O-ND2 2.84Å; F68-N71 PolarHBondContact O-OD1 3.1Å; F68-N71 VanDerWaalsContact O-OD1 3.14Å; F68-P78 HydrophobicContact CD1-CG 4.32Å; F68-P78 HydrophobicContact CE1-CB 4.06Å; F68-P78 HydrophobicContact CE1-CG 3.86Å; F68-P78 HydrophobicContact CZ-CB 4.32Å; F68-P78 HydrophobicContact CZ-CG 4.1Å; F68-V81 HydrophobicContact CD1-CG1 3.88Å; F68-V81 HydrophobicContact CD1-CG2 4.26Å; F68-V81 HydrophobicContact CE1-CB 4.34Å; F68-V81 HydrophobicContact CE1-CG1 3.86Å; F68-V81 HydrophobicContact CE1-CG2 3.89Å; F68-Y105 HydrophobicContact CB-CD1 4.48Å; F68-Y105 HydrophobicContact CB-CD2 4.22Å; F68-Y105 HydrophobicContact CB-CE2 4.28Å; F68-Y105 HydrophobicContact CB-CG 4.33Å; F68-Y105 AromaticContact CD1-CD2 3.76Å; F68-Y105 HydrophobicContact CD1-CD2 3.76Å; F68-Y105 AromaticContact CD1-CE2 3.37Å; F68-Y105 HydrophobicContact CD1-CE2 3.37Å; F68-Y105 HydrophobicContact CD2-CE1 4.07Å; F68-Y105 AromaticContact CD2-CE2 3.82Å; F68-Y105 HydrophobicContact CD2-CE2 3.82Å; F68-Y105 AromaticContact CD2-CZ 3.53Å; F68-Y105 HydrophobicContact CE1-CD2 4.26Å; F68-Y105 AromaticContact CE1-CE2 3.48Å; F68-Y105 HydrophobicContact CE1-CE2 3.48Å; F68-Y105 VanDerWaalsContact CE1-CE2 3.48Å; F68-Y105 AromaticContact CE2-CE2 3.94Å; F68-Y105 HydrophobicContact CE2-CE2 3.94Å; F68-Y105 AromaticContact CE2-CZ 3.64Å; F68-Y105 WeakPolarHBondContact CE2-OH 3.41Å; F68-Y105 AromaticContact CG-CD2 3.93Å; F68-Y105 HydrophobicContact CG-CD2 3.93Å; F68-Y105 HydrophobicContact CG-CE1 4.25Å; F68-Y105 AromaticContact CG-CE2 3.54Å; F68-Y105 HydrophobicContact CG-CE2 3.54Å; F68-Y105 HydrophobicContact CG-CG 4.44Å; F68-Y105 AromaticContact CG-CZ 3.72Å; F68-Y105 AromaticContact CZ-CE2 3.77Å; F68-Y105 HydrophobicContact CZ-CE2 3.77Å; F68-Y105 AromaticContact CZ-CZ 3.9Å; F68-Y105 WeakPolarHBondContact CZ-OH 3.39Å
69	I	95.7	Very high	95.5	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.6	-36.5	177.9	-65.9	158.2	0	0	0	111.3	A39 A42 I43 I46 L65 N66 V77	A39-I69 HydrophobicContact CB-CG2 4.46Å; A42-I69 HydrophobicContact CB-CG2 4.02Å; I43-I69 HydrophobicContact CG1-CD1 4.1Å; I43-I69 HydrophobicContact CG1-CG2 4.25Å; I46-I69 HydrophobicContact CD1-CD1 3.31Å; I46-I69 HydrophobicContact CD1-CG1 4.01Å; L65-I69 HydrophobicContact CD1-CD1 4.12Å; L65-I69 HydrophobicContact CD1-CG1 4.31Å; L65-I69 HydrophobicContact CG-CD1 4.01Å; L65-I69 WeakPolarHBondContact O-CD1 3.22Å; L65-I69 VanDerWaalsContact O-CG1 3.27Å; L65-I69 WeakPolarHBondContact O-CG1 3.48Å; L65-I69 PolarHBondContact O-N 2.84Å; N66-I69 PolarHBondContact O-N 3.1Å; N66-I69 VanDerWaalsContact O-N 3.14Å; I69-V77 HydrophobicContact CG2-CG1 4.28Å
70	W	96.2	Very high	95.4	Very high	90 Å²	90	78.2 Å²	78.2	34%	0.341	36%	0.356	S	S	.	.	H	α-helix	trans	-91.4	0.9	-178	-73.1	97.1	0	0	0	114.4	A39 P40 I43 N66 K67 F68 R72 G73 I74	A39-W70 HydrophobicContact CB-CD2 3.79Å; A39-W70 HydrophobicContact CB-CE3 3.77Å; A39-W70 HydrophobicContact CB-CH2 3.82Å; A39-W70 HydrophobicContact CB-CZ2 3.82Å; A39-W70 HydrophobicContact CB-CZ3 3.8Å; P40-W70 HydrophobicContact CG-CH2 3.79Å; P40-W70 HydrophobicContact CG-CZ2 3.95Å; I43-W70 HydrophobicContact CD1-CZ2 4.22Å; N66-W70 PolarHBondContact O-N 3.44Å; N66-W70 VanDerWaalsContact O-N 3.1Å; N66-W70 VanDerWaalsContact OD1-CD1 3.23Å; N66-W70 PolarHBondContact OD1-NE1 3.24Å; K67-W70 CarbonylContact O-C 3.59Å; K67-W70 PolarHBondContact O-N 3.41Å; F68-W70 VanDerWaalsContact C-N 3.29Å; F68-W70 PolarHBondContact O-N 2.99Å; W70-R72 VanDerWaalsContact C-N 3.25Å; W70-R72 PolarHBondContact O-N 2.91Å; W70-R72 VanDerWaalsContact O-N 3.12Å; W70-G73 PolarHBondContact O-N 2.86Å; W70-I74 HydrophobicContact CH2-CD1 4.2Å; W70-I74 HydrophobicContact CH2-CG1 4.15Å; W70-I74 HydrophobicContact CZ3-CB 3.94Å; W70-I74 HydrophobicContact CZ3-CD1 4.13Å; W70-I74 HydrophobicContact CZ3-CG1 3.86Å
71	N	94.7	Very high	95.3	Very high	85 Å²	85	74 Å²	74	46%	0.455	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.8	-169.5	67.6	-4.8	0	0	0	114.6	K67 F68	K67-N71 PolarHBondContact O-N 3.49Å; F68-N71 PolarHBondContact O-N 3.22Å; F68-N71 PolarHBondContact O-ND2 2.84Å; F68-N71 PolarHBondContact O-OD1 3.1Å; F68-N71 VanDerWaalsContact O-OD1 3.14Å
72	R	94.6	Very high	95.2	Very high	186 Å²	186	72.4 Å²	72.4	70%	0.702	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	18.2	178.8	-65.7	171.6	-175.9	-159.1	0.4	112.1	W70 N76	W70-R72 VanDerWaalsContact C-N 3.25Å; W70-R72 PolarHBondContact O-N 2.91Å; W70-R72 VanDerWaalsContact O-N 3.12Å; R72-N76 HydrophobicContact CB-CB 3.73Å; R72-N76 WeakPolarHBondContact CB-O 3.47Å
73	G	93.9	Very high	95.1	Very high	32 Å²	32	70.3 Å²	70.3	33%	0.33	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	-168.9	-179.1	0	0	0	0	0	114.6	W70 R75	W70-G73 PolarHBondContact O-N 2.86Å; G73-R75 PolarHBondContact O-N 3.2Å
74	I	95	Very high	95.1	Very high	71 Å²	71	70.7 Å²	70.7	36%	0.364	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-30.4	-166.3	-162.1	161.4	0	0	0	114.6	K36 R38 A39 W70	K36-I74 WeakPolarHBondContact O-CD1 3.19Å; K36-I74 WeakPolarHBondContact O-CG1 3.36Å; R38-I74 WeakPolarHBondContact CB-O 3.37Å; A39-I74 HydrophobicContact CB-CG1 4.37Å; A39-I74 PolarHBondContact N-O 3.01Å; A39-I74 VanDerWaalsContact N-O 3.13Å; W70-I74 HydrophobicContact CH2-CD1 4.2Å; W70-I74 HydrophobicContact CH2-CG1 4.15Å; W70-I74 HydrophobicContact CZ3-CB 3.94Å; W70-I74 HydrophobicContact CZ3-CD1 4.13Å; W70-I74 HydrophobicContact CZ3-CG1 3.86Å
75	R	93.8	Very high	95	Very high	126 Å²	126	61.8 Å²	61.8	48%	0.475	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-34.2	-174.4	-178.9	174.1	-179.1	-179.2	-2.4	112.7	F35 R38 G73 V77	F35-R75 HydrophobicContact CB-CB 4.27Å; F35-R75 HydrophobicContact CB-CG 3.82Å; F35-R75 HydrophobicContact CD1-CG 3.65Å; F35-R75 HydrophobicContact CE1-CG 4.44Å; F35-R75 VanDerWaalsContact CE2-NH2 3.29Å; F35-R75 HydrophobicContact CG-CG 3.83Å; R38-R75 WeakPolarHBondContact CD-O 3.5Å; R38-R75 PolarHBondContact NH1-O 2.86Å; G73-R75 PolarHBondContact O-N 3.2Å; R75-V77 PolarHBondContact O-N 3.19Å
76	N	94.3	Very high	94.9	Very high	89 Å²	89	62.1 Å²	62.1	48%	0.476	28%	0.28	S	S	.	.			trans	-106.6	57.4	-164.6	-65.7	-23.4	0	0	0	112.2	R72	R72-N76 HydrophobicContact CB-CB 3.73Å; R72-N76 WeakPolarHBondContact CB-O 3.47Å
77	V	94.7	Very high	94.7	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.024	27%	0.271	C	S	.	.			trans	-64.7	138.5	176.5	-177.7	0	0	0	0	110.4	L26 I30 R38 A39 A42 I69 R75 F79	L26-V77 HydrophobicContact CD1-CG1 3.69Å; I30-V77 HydrophobicContact CD1-CB 3.83Å; I30-V77 HydrophobicContact CD1-CG1 4.16Å; I30-V77 HydrophobicContact CD1-CG2 4.38Å; R38-V77 HydrophobicContact CB-CG2 3.96Å; A39-V77 HydrophobicContact CB-CG2 3.88Å; A42-V77 HydrophobicContact CB-CG1 3.71Å; A42-V77 HydrophobicContact CB-CG2 4.34Å; I69-V77 HydrophobicContact CG2-CG1 4.28Å; R75-V77 PolarHBondContact O-N 3.19Å; V77-F79 PolarHBondContact O-N 3.33Å
78	P	94.9	Very high	94.4	Very high	19 Å²	19	59.6 Å²	59.6	12%	0.123	26%	0.262	C	S	.	.			trans	-53.3	138.4	172.7	-25.8	33.9	0	0	0	112.5	L26 F68 R80 V81	L26-P78 WeakPolarHBondContact CB-O 3.44Å; F68-P78 HydrophobicContact CD1-CG 4.32Å; F68-P78 HydrophobicContact CE1-CB 4.06Å; F68-P78 HydrophobicContact CE1-CG 3.86Å; F68-P78 HydrophobicContact CZ-CB 4.32Å; F68-P78 HydrophobicContact CZ-CG 4.1Å; P78-R80 PolarHBondContact O-N 2.91Å; P78-V81 HydrophobicContact CB-CG2 4.2Å
79	F	94	Very high	94.1	Very high	128 Å²	128	63.4 Å²	63.4	56%	0.561	28%	0.275	S	S	*	.	S	Bend	trans	-67.8	-35.8	-178.5	-66.8	-17.8	0	0	0	113.2	N25 L26 H27 V77	N25-F79 PolarHBondContact OD1-O 2.99Å; L26-F79 PolarHBondContact N-O 3.22Å; H27-F79 HydrophobicContact CB-CB 4.03Å; H27-F79 HydrophobicContact CB-CD1 4.07Å; H27-F79 HydrophobicContact CB-CG 4.17Å; H27-F79 AromaticContact CD2-CD1 3.68Å; H27-F79 AromaticContact CD2-CE1 3.66Å; H27-F79 PolarHBondContact N-O 2.85Å; H27-F79 VanDerWaalsContact N-O 3.1Å; V77-F79 PolarHBondContact O-N 3.33Å
80	R	93.9	Very high	93.8	Very high	102 Å²	102	64.6 Å²	64.6	39%	0.385	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.7	178.4	-59.4	178.9	78.3	-178.8	1.8	109.3	T23 I24 P78 F111	T23-R80 HydrophobicContact CG2-CB 4.22Å; I24-R80 VanDerWaalsContact O-CA 3.27Å; I24-R80 WeakPolarHBondContact O-CA 3.48Å; P78-R80 PolarHBondContact O-N 2.91Å; R80-F111 HydrophobicContact CB-CD1 4.07Å; R80-F111 HydrophobicContact CB-CD2 4.36Å; R80-F111 HydrophobicContact CB-CE1 3.94Å; R80-F111 HydrophobicContact CB-CE2 4.24Å; R80-F111 HydrophobicContact CB-CG 4.28Å; R80-F111 HydrophobicContact CB-CZ 4.03Å; R80-F111 VanDerWaalsContact O-CZ 3.27Å; R80-F111 WeakPolarHBondContact O-CZ 3.42Å
81	V	94.2	Very high	93.2	Very high	0 Å²	0	69 Å²	69	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.8	176.9	-173.1	0	0	0	0	108.7	T23 I24 L26 L65 F68 P78 V83 Y105	T23-V81 CarbonylContact C-O 3.58Å; T23-V81 WeakPolarHBondContact CA-O 3.28Å; I24-V81 PolarHBondContact N-O 3.17Å; I24-V81 PolarHBondContact O-N 2.98Å; L26-V81 HydrophobicContact CD1-CG2 3.41Å; L26-V81 VanDerWaalsContact CD1-CG2 3.41Å; L26-V81 HydrophobicContact CG-CG2 4.15Å; L65-V81 HydrophobicContact CD1-CG1 3.71Å; F68-V81 HydrophobicContact CD1-CG1 3.88Å; F68-V81 HydrophobicContact CD1-CG2 4.26Å; F68-V81 HydrophobicContact CE1-CB 4.34Å; F68-V81 HydrophobicContact CE1-CG1 3.86Å; F68-V81 HydrophobicContact CE1-CG2 3.89Å; P78-V81 HydrophobicContact CB-CG2 4.2Å; V81-V83 HydrophobicContact CG1-CG1 3.86Å; V81-Y105 HydrophobicContact CG1-CD2 4.04Å; V81-Y105 HydrophobicContact CG1-CE2 4.24Å
82	R	94.1	Very high	92.8	Very high	5 Å²	5	69.5 Å²	69.5	2%	0.019	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.1	169.5	-170.4	76.1	175.4	-172.1	-7	108.2	E21 Y22 T23 V106 V108 F111 L115	E21-R82 IonicContact OE2-CZ 3.36Å; E21-R82 IonicContact OE2-NE 2.77Å; E21-R82 PolarHBondContact OE2-NE 3.03Å; E21-R82 IonicContact OE2-NH2 3Å; E21-R82 PolarHBondContact OE2-NH2 2.93Å; Y22-R82 WeakPolarHBondContact O-CA 3.25Å; T23-R82 VanDerWaalsContact OG1-CD 3.25Å; T23-R82 WeakPolarHBondContact OG1-CD 3.33Å; T23-R82 PolarHBondContact OG1-NH1 2.87Å; R82-V106 HydrophobicContact CB-CB 4.22Å; R82-V106 HydrophobicContact CG-CB 3.81Å; R82-V106 HydrophobicContact CG-CG1 4.09Å; R82-V106 PolarHBondContact O-N 2.68Å; R82-V106 VanDerWaalsContact O-N 3.1Å; R82-V108 HydrophobicContact CB-CG1 3.85Å; R82-V108 HydrophobicContact CB-CG2 3.89Å; R82-V108 HydrophobicContact CG-CG1 3.88Å; R82-F111 HydrophobicContact CB-CE1 4.32Å; R82-L115 PolarHBondContact NH1-O 2.91Å; R82-L115 PolarHBondContact NH2-O 2.92Å
83	V	95.2	Very high	91.8	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.1	179.6	-60	0	0	0	0	109.8	E21 Y22 I24 L65 V81 L85 V103 T104	E21-V83 WeakPolarHBondContact CA-O 3.49Å; Y22-V83 PolarHBondContact N-O 3.03Å; Y22-V83 PolarHBondContact O-N 2.72Å; I24-V83 HydrophobicContact CD1-CG1 4.22Å; I24-V83 HydrophobicContact CD1-CG2 3.61Å; I24-V83 HydrophobicContact CG1-CG2 3.96Å; L65-V83 HydrophobicContact CD1-CG1 3.94Å; L65-V83 HydrophobicContact CD2-CG1 3.87Å; V81-V83 HydrophobicContact CG1-CG1 3.86Å; V83-L85 HydrophobicContact CG2-CD2 4.42Å; V83-L85 HydrophobicContact CG2-CG 4.43Å; V83-V103 HydrophobicContact CB-CG1 3.95Å; V83-V103 HydrophobicContact CG1-CG1 4.17Å; V83-V103 HydrophobicContact CG2-CG1 4.37Å; V83-T104 CarbonylContact C-O 3.58Å; V83-T104 VanDerWaalsContact CA-O 3.28Å; V83-T104 WeakPolarHBondContact CA-O 3.26Å
84	R	95.2	Very high	91.4	Very high	102 Å²	102	76.2 Å²	76.2	39%	0.385	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.8	167	-177.5	-179	-64.6	178.9	-1	107.7	R20 E21 T104 V106	R20-R84 WeakPolarHBondContact O-CA 3.38Å; E21-R84 HydrophobicContact CG-CB 4.13Å; E21-R84 HydrophobicContact CG-CG 4.14Å; E21-R84 IonicContact OE1-CZ 3.01Å; E21-R84 VanDerWaalsContact OE1-CZ 3.32Å; E21-R84 IonicContact OE1-NE 3.89Å; E21-R84 PolarHBondContact OE1-NE 2.69Å; E21-R84 IonicContact OE1-NH2 3.06Å; E21-R84 PolarHBondContact OE1-NH2 3.3Å; R84-T104 WeakPolarHBondContact CB-OG1 3.25Å; R84-T104 PolarHBondContact N-O 3.15Å; R84-T104 PolarHBondContact O-N 3.11Å; R84-V106 HydrophobicContact CB-CG2 3.68Å
85	L	95.1	Very high	90.8	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.2	173.9	-63.7	-177.6	0	0	0	107.7	T19 R20 Y22 F49 A50 Q53 M54 V83 T101 V103	T19-L85 CarbonylContact C-O 3.58Å; T19-L85 WeakPolarHBondContact CA-O 2.91Å; R20-L85 PolarHBondContact N-O 2.8Å; R20-L85 PolarHBondContact O-N 2.9Å; Y22-L85 HydrophobicContact CD2-CB 4.5Å; Y22-L85 HydrophobicContact CD2-CD1 3.61Å; Y22-L85 HydrophobicContact CD2-CG 4.05Å; Y22-L85 HydrophobicContact CE2-CD1 3.86Å; F49-L85 HydrophobicContact CD1-CD1 4.47Å; F49-L85 HydrophobicContact CE1-CD1 4.34Å; A50-L85 HydrophobicContact CB-CD1 4.4Å; A50-L85 HydrophobicContact CB-CD2 3.67Å; Q53-L85 HydrophobicContact CB-CD1 4Å; Q53-L85 HydrophobicContact CG-CD1 4.48Å; M54-L85 HydrophobicContact CE-CB 3.29Å; M54-L85 HydrophobicContact CE-CD1 4.35Å; M54-L85 HydrophobicContact CE-CG 4.45Å; M54-L85 VanDerWaalsContact CE-O 3.25Å; M54-L85 WeakPolarHBondContact CE-O 3.5Å; M54-L85 HydrophobicContact CG-CB 4.2Å; M54-L85 HydrophobicContact CG-CD1 4.29Å; V83-L85 HydrophobicContact CG2-CD2 4.42Å; V83-L85 HydrophobicContact CG2-CG 4.43Å; L85-T101 HydrophobicContact CB-CG2 4.23Å; L85-T101 HydrophobicContact CD2-CG2 4.06Å; L85-V103 HydrophobicContact CD2-CB 4.03Å; L85-V103 HydrophobicContact CD2-CG1 3.7Å; L85-V103 HydrophobicContact CD2-CG2 3.54Å
86	S	93.8	Very high	90.5	Very high	7 Å²	7	74.3 Å²	74.3	5%	0.049	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	107.6	178.4	-61.6	0	0	0	0	108.9	T101 L102	S86-T101 WeakPolarHBondContact O-CA 3.48Å; S86-L102 PolarHBondContact N-O 3.06Å; S86-L102 PolarHBondContact O-N 3.05Å
87	R	93.1	Very high	90.2	Very high	44 Å²	44	73 Å²	73	17%	0.166	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	116.9	171.7	-172.6	168.7	69.5	175.7	10.2	108.9	K15 D16 V17 V18 M54 T56 M99 Y100	K15-R87 PolarHBondContact O-NH2 2.72Å; D16-R87 VanDerWaalsContact O-CZ 3.25Å; D16-R87 PolarHBondContact O-NE 3.4Å; D16-R87 PolarHBondContact O-NH2 3.06Å; V17-R87 WeakPolarHBondContact CA-O 3.31Å; V17-R87 WeakPolarHBondContact CG1-O 3.25Å; V18-R87 PolarHBondContact N-O 3.35Å; V18-R87 PolarHBondContact O-N 2.85Å; M54-R87 HydrophobicContact CG-CB 4.49Å; M54-R87 PolarHBondContact O-NH1 3.43Å; M54-R87 HydrophobicContact SD-CB 4.09Å; T56-R87 HydrophobicContact CG2-CG 3.86Å; R87-M99 HydrophobicContact CG-CB 4.32Å; R87-M99 HydrophobicContact CG-SD 4.18Å; R87-Y100 WeakPolarHBondContact CA-O 3.48Å
88	R	91	Very high	89.9	Confident	120 Å²	120	80.1 Å²	80.1	45%	0.453	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.8	-176.4	-66.5	-175.9	175.5	-172	-3.7	110.4	M99 Y100	R88-M99 VanDerWaalsContact O-CA 3.25Å; R88-M99 WeakPolarHBondContact O-CA 3.37Å; R88-M99 WeakPolarHBondContact O-CB 3.49Å; R88-Y100 HydrophobicContact CB-CD1 4.45Å; R88-Y100 HydrophobicContact CB-CE1 3.87Å; R88-Y100 HydrophobicContact CB-CE2 4.13Å; R88-Y100 WeakPolarHBondContact CD-OH 3.46Å; R88-Y100 PolarHBondContact N-O 2.84Å; R88-Y100 PolarHBondContact O-N 2.89Å
89	R	89.7	Confident	89.7	Confident	122 Å²	122	81 Å²	81	46%	0.46	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	140.8	170.1	-66.4	-177.9	-177.7	-176.3	2.3	108.7	V17 Y100	V17-R89 HydrophobicContact CG2-CG 4.47Å; R89-Y100 VanDerWaalsContact O-CE1 3.3Å; R89-Y100 WeakPolarHBondContact O-CE1 3.49Å
90	N	88.5	Confident	89.7	Confident	25 Å²	25	76.6 Å²	76.6	13%	0.134	36%	0.358	C	S	.	.			trans	-82.5	133.1	172.8	-155.9	-1.9	0	0	0	109	D92 S95 H97 K98 Y100	N90-D92 PolarHBondContact OD1-N 3.28Å; N90-D92 PolarHBondContact OD1-OD2 3.25Å; N90-S95 WeakPolarHBondContact ND2-CB 3.3Å; N90-S95 PolarHBondContact ND2-OG 3.17Å; N90-H97 PolarHBondContact ND2-O 2.93Å; N90-K98 PolarHBondContact N-O 3.38Å; N90-Y100 HydrophobicContact CB-CD1 4.08Å
91	E	84.4	Confident	89.7	Confident	182 Å²	182	71.7 Å²	71.7	85%	0.85	34%	0.339	S	S	*	.			trans	-93.6	-18.1	176.9	-67.9	171.6	-171.4	0	0	111	E93	E91-E93 PolarHBondContact O-N 3.01Å
92	D	84.7	Confident	89.8	Confident	96 Å²	96	73.6 Å²	73.6	51%	0.513	35%	0.349	S	S	.	.			trans	-76.1	111.6	179	-55.7	-36.3	0	0	0	110.4	N90 D94 S95	N90-D92 PolarHBondContact OD1-N 3.28Å; N90-D92 PolarHBondContact OD1-OD2 3.25Å; D92-D94 VanDerWaalsContact C-N 3.25Å; D92-D94 PolarHBondContact O-N 3.39Å; D92-S95 WeakPolarHBondContact O-CB 3.14Å; D92-S95 PolarHBondContact O-N 3.26Å
93	E	75.1	Confident	89.9	Confident	194 Å²	194	73.4 Å²	73.4	91%	0.907	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.1	-179.4	-66	-169.1	165	0	0	113.2	E91 S95	E91-E93 PolarHBondContact O-N 3.01Å; E93-S95 PolarHBondContact O-N 2.89Å
94	D	84.5	Confident	90	Very high	164 Å²	164	75 Å²	75	88%	0.877	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.5	-179.6	-64.6	-40	0	0	0	113.8	D92	D92-D94 VanDerWaalsContact C-N 3.25Å; D92-D94 PolarHBondContact O-N 3.39Å
95	S	82.1	Confident	90	Very high	39 Å²	39	72.5 Å²	72.5	27%	0.273	35%	0.349	S	S	.	.			trans	-80.1	129.2	-178.4	-70.9	0	0	0	0	111.4	N90 D92 E93 H97	N90-S95 WeakPolarHBondContact ND2-CB 3.3Å; N90-S95 PolarHBondContact ND2-OG 3.17Å; D92-S95 WeakPolarHBondContact O-CB 3.14Å; D92-S95 PolarHBondContact O-N 3.26Å; E93-S95 PolarHBondContact O-N 2.89Å; S95-H97 PolarHBondContact O-N 3.01Å
96	P	87.4	Confident	90	Very high	118 Å²	118	73.7 Å²	73.7	77%	0.766	36%	0.356	S	S	*	.	S	Bend	trans	-66.6	-12	178.5	28.2	-35.9	0	0	0	113.2
97	H	88	Confident	89.9	Confident	62 Å²	62	79.6 Å²	79.6	29%	0.287	38%	0.383	S	S	.	.			trans	-112.7	121.6	-177.7	-53.8	-52	0	0	0	111.5	E57 N90 S95 M99	E57-H97 IonicContact OE2-CE1 3.32Å; E57-H97 PolarHBondContact OE2-CE1 3.27Å; E57-H97 IonicContact OE2-ND1 2.72Å; E57-H97 IonicContact OE2-NE2 3.54Å; N90-H97 PolarHBondContact ND2-O 2.93Å; S95-H97 PolarHBondContact O-N 3.01Å; H97-M99 PolarHBondContact O-N 3Å
98	K	88.3	Confident	89.8	Confident	154 Å²	154	78.9 Å²	78.9	67%	0.67	38%	0.383	S	S	*	.	S	Bend	trans	-62.9	-25	176.5	-173.2	173.5	-176.2	176.3	0	114.1	N90	N90-K98 PolarHBondContact N-O 3.38Å
99	M	90.8	Very high	89.6	Confident	36 Å²	36	80.7 Å²	80.7	18%	0.177	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.8	-178	-60.7	-178.1	-160.4	0	0	110.9	D16 T56 R87 R88 H97	D16-M99 HydrophobicContact CB-CE 3.5Å; D16-M99 VanDerWaalsContact CB-CE 3.5Å; D16-M99 HydrophobicContact CB-SD 4.26Å; T56-M99 HydrophobicContact CG2-CB 4.21Å; R87-M99 HydrophobicContact CG-CB 4.32Å; R87-M99 HydrophobicContact CG-SD 4.18Å; R88-M99 VanDerWaalsContact O-CA 3.25Å; R88-M99 WeakPolarHBondContact O-CA 3.37Å; R88-M99 WeakPolarHBondContact O-CB 3.49Å; H97-M99 PolarHBondContact O-N 3Å
100	Y	93.6	Very high	89.5	Confident	36 Å²	36	78.3 Å²	78.3	14%	0.141	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	155.1	170.8	70.2	-89	0	0	0	110.3	D58 R60 R87 R88 R89 N90 L102	D58-Y100 VanDerWaalsContact OD2-CB 3.31Å; D58-Y100 WeakPolarHBondContact OD2-CB 3.15Å; R60-Y100 HydrophobicContact CG-CD2 4.36Å; R87-Y100 WeakPolarHBondContact CA-O 3.48Å; R88-Y100 HydrophobicContact CB-CD1 4.45Å; R88-Y100 HydrophobicContact CB-CE1 3.87Å; R88-Y100 HydrophobicContact CB-CE2 4.13Å; R88-Y100 WeakPolarHBondContact CD-OH 3.46Å; R88-Y100 PolarHBondContact N-O 2.84Å; R88-Y100 PolarHBondContact O-N 2.89Å; R89-Y100 VanDerWaalsContact O-CE1 3.3Å; R89-Y100 WeakPolarHBondContact O-CE1 3.49Å; N90-Y100 HydrophobicContact CB-CD1 4.08Å; Y100-L102 HydrophobicContact CD2-CB 4.47Å; Y100-L102 HydrophobicContact CE2-CB 4.1Å
101	T	95.1	Very high	89.3	Confident	0 Å²	0	80 Å²	80	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.4	170.6	-65.3	0	0	0	0	110	A50 M54 T56 D58 V59 R60 L85 S86 V103	A50-T101 HydrophobicContact CB-CG2 4.38Å; M54-T101 HydrophobicContact CB-CG2 4.26Å; M54-T101 WeakPolarHBondContact CB-OG1 3.37Å; M54-T101 HydrophobicContact CG-CG2 3.8Å; T56-T101 WeakPolarHBondContact OG1-CB 3.49Å; T56-T101 PolarHBondContact OG1-OG1 3.04Å; D58-T101 PolarHBondContact O-N 3.47Å; V59-T101 WeakPolarHBondContact CA-O 3.25Å; R60-T101 PolarHBondContact N-O 3.29Å; L85-T101 HydrophobicContact CB-CG2 4.23Å; L85-T101 HydrophobicContact CD2-CG2 4.06Å; S86-T101 WeakPolarHBondContact O-CA 3.48Å; T101-V103 HydrophobicContact CG2-CG2 4.33Å
102	L	95.9	Very high	89	Confident	40 Å²	40	79.6 Å²	79.6	21%	0.209	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	125	168	-177	64.7	0	0	0	109.5	R60 S86 Y100 T104	R60-L102 HydrophobicContact CB-CD1 4.18Å; S86-L102 PolarHBondContact N-O 3.06Å; S86-L102 PolarHBondContact O-N 3.05Å; Y100-L102 HydrophobicContact CD2-CB 4.47Å; Y100-L102 HydrophobicContact CE2-CB 4.1Å; L102-T104 HydrophobicContact CD2-CG2 3.94Å; L102-T104 HydrophobicContact CG-CG2 3.89Å
103	V	96.8	Very high	88.2	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	111.1	177	-169	0	0	0	0	108.7	I46 A50 V59 R60 D62 L65 V83 L85 T101	I46-V103 HydrophobicContact CG2-CG1 4Å; A50-V103 HydrophobicContact CB-CG2 3.78Å; V59-V103 HydrophobicContact CG1-CG2 3.67Å; R60-V103 PolarHBondContact O-N 2.91Å; D62-V103 VanDerWaalsContact CB-O 3.22Å; D62-V103 WeakPolarHBondContact CB-O 3.44Å; D62-V103 PolarHBondContact N-O 3.3Å; L65-V103 HydrophobicContact CD2-CB 4.09Å; L65-V103 HydrophobicContact CD2-CG1 3.33Å; V83-V103 HydrophobicContact CB-CG1 3.95Å; V83-V103 HydrophobicContact CG1-CG1 4.17Å; V83-V103 HydrophobicContact CG2-CG1 4.37Å; L85-V103 HydrophobicContact CD2-CB 4.03Å; L85-V103 HydrophobicContact CD2-CG1 3.7Å; L85-V103 HydrophobicContact CD2-CG2 3.54Å; T101-V103 HydrophobicContact CG2-CG2 4.33Å
104	T	97.1	Very high	87.7	Confident	34 Å²	34	74.2 Å²	74.2	21%	0.209	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	152.9	177.8	65.2	0	0	0	0	111.5	D62 V83 R84 L102	D62-T104 HydrophobicContact CB-CG2 4.17Å; V83-T104 CarbonylContact C-O 3.58Å; V83-T104 VanDerWaalsContact CA-O 3.28Å; V83-T104 WeakPolarHBondContact CA-O 3.26Å; R84-T104 WeakPolarHBondContact CB-OG1 3.25Å; R84-T104 PolarHBondContact N-O 3.15Å; R84-T104 PolarHBondContact O-N 3.11Å; L102-T104 HydrophobicContact CD2-CG2 3.94Å; L102-T104 HydrophobicContact CG-CG2 3.89Å
105	Y	95.9	Very high	86.7	Confident	50 Å²	50	72.9 Å²	72.9	20%	0.196	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	133.3	174.6	174.8	-117.8	0	0	0	110.5	L65 F68 V81 H107	L65-Y105 HydrophobicContact CD1-CD2 4.23Å; F68-Y105 HydrophobicContact CB-CD1 4.48Å; F68-Y105 HydrophobicContact CB-CD2 4.22Å; F68-Y105 HydrophobicContact CB-CE2 4.28Å; F68-Y105 HydrophobicContact CB-CG 4.33Å; F68-Y105 AromaticContact CD1-CD2 3.76Å; F68-Y105 HydrophobicContact CD1-CD2 3.76Å; F68-Y105 AromaticContact CD1-CE2 3.37Å; F68-Y105 HydrophobicContact CD1-CE2 3.37Å; F68-Y105 HydrophobicContact CD2-CE1 4.07Å; F68-Y105 AromaticContact CD2-CE2 3.82Å; F68-Y105 HydrophobicContact CD2-CE2 3.82Å; F68-Y105 AromaticContact CD2-CZ 3.53Å; F68-Y105 HydrophobicContact CE1-CD2 4.26Å; F68-Y105 AromaticContact CE1-CE2 3.48Å; F68-Y105 HydrophobicContact CE1-CE2 3.48Å; F68-Y105 VanDerWaalsContact CE1-CE2 3.48Å; F68-Y105 AromaticContact CE2-CE2 3.94Å; F68-Y105 HydrophobicContact CE2-CE2 3.94Å; F68-Y105 AromaticContact CE2-CZ 3.64Å; F68-Y105 WeakPolarHBondContact CE2-OH 3.41Å; F68-Y105 AromaticContact CG-CD2 3.93Å; F68-Y105 HydrophobicContact CG-CD2 3.93Å; F68-Y105 HydrophobicContact CG-CE1 4.25Å; F68-Y105 AromaticContact CG-CE2 3.54Å; F68-Y105 HydrophobicContact CG-CE2 3.54Å; F68-Y105 HydrophobicContact CG-CG 4.44Å; F68-Y105 AromaticContact CG-CZ 3.72Å; F68-Y105 AromaticContact CZ-CE2 3.77Å; F68-Y105 HydrophobicContact CZ-CE2 3.77Å; F68-Y105 AromaticContact CZ-CZ 3.9Å; F68-Y105 WeakPolarHBondContact CZ-OH 3.39Å; V81-Y105 HydrophobicContact CG1-CD2 4.04Å; V81-Y105 HydrophobicContact CG1-CE2 4.24Å; Y105-H107 HydrophobicContact CE1-CB 3.9Å; Y105-H107 PolarHBondContact OH-ND1 3.32Å
106	V	94.2	Very high	85.4	Confident	24 Å²	24	74.3 Å²	74.3	15%	0.145	40%	0.398	C	S	.	.			trans	-109.7	117	169.9	-178.8	0	0	0	0	107.2	R82 R84 V108	R82-V106 HydrophobicContact CB-CB 4.22Å; R82-V106 HydrophobicContact CG-CB 3.81Å; R82-V106 HydrophobicContact CG-CG1 4.09Å; R82-V106 PolarHBondContact O-N 2.68Å; R82-V106 VanDerWaalsContact O-N 3.1Å; R84-V106 HydrophobicContact CB-CG2 3.68Å; V106-V108 HydrophobicContact CG1-CG1 4.19Å
107	H	92.5	Very high	83.7	Confident	132 Å²	132	74.2 Å²	74.2	61%	0.611	39%	0.39	S	S	*	.			trans	-68.7	132	174.2	-170.5	91	0	0	0	109.4	Y105 D109	Y105-H107 HydrophobicContact CE1-CB 3.9Å; Y105-H107 PolarHBondContact OH-ND1 3.32Å; H107-D109 IonicContact NE2-OD1 3.17Å
108	V	89.7	Confident	81.7	Confident	28 Å²	28	74.4 Å²	74.4	17%	0.17	40%	0.403	C	S	.	.			trans	-139.9	133	179	-67.7	0	0	0	0	108.6	R82 V106 F111 M114	R82-V108 HydrophobicContact CB-CG1 3.85Å; R82-V108 HydrophobicContact CB-CG2 3.89Å; R82-V108 HydrophobicContact CG-CG1 3.88Å; V106-V108 HydrophobicContact CG1-CG1 4.19Å; V108-F111 HydrophobicContact CG2-CD1 4.07Å; V108-F111 HydrophobicContact CG2-CE1 3.53Å; V108-F111 HydrophobicContact CG2-CE2 4.29Å; V108-F111 HydrophobicContact CG2-CZ 3.65Å; V108-M114 HydrophobicContact CB-CE 3.84Å; V108-M114 HydrophobicContact CB-SD 4.37Å; V108-M114 HydrophobicContact CG1-CE 3.79Å; V108-M114 HydrophobicContact CG1-SD 3.85Å; V108-M114 HydrophobicContact CG2-CE 3.78Å
109	D	87.5	Confident	79.2	Confident	158 Å²	158	69.9 Å²	69.9	85%	0.845	39%	0.391	S	S	*	.	S	Bend	trans	-75.2	-36.4	179.2	-55.8	-54.9	0	0	0	111.5	H107	H107-D109 IonicContact NE2-OD1 3.17Å
110	S	87.2	Confident	76.1	Confident	72 Å²	72	79.1 Å²	79.1	50%	0.503	42%	0.423	S	S	.	.			trans	-141.3	140.7	-178.2	-177.9	0	0	0	0	112.6	K112 M114	S110-K112 PolarHBondContact OG-N 3.33Å; S110-M114 VanDerWaalsContact O-CE 3.31Å; S110-M114 WeakPolarHBondContact O-CE 3.45Å
111	F	84.5	Confident	73.1	Confident	60 Å²	60	82.3 Å²	82.3	26%	0.263	45%	0.447	S	S	.	.			trans	-90.4	4.1	175.3	-65.1	-80.3	0	0	0	114.1	T23 R80 R82 V108 M114	T23-F111 HydrophobicContact CG2-CD1 3.73Å; T23-F111 HydrophobicContact CG2-CE1 4Å; R80-F111 HydrophobicContact CB-CD1 4.07Å; R80-F111 HydrophobicContact CB-CD2 4.36Å; R80-F111 HydrophobicContact CB-CE1 3.94Å; R80-F111 HydrophobicContact CB-CE2 4.24Å; R80-F111 HydrophobicContact CB-CG 4.28Å; R80-F111 HydrophobicContact CB-CZ 4.03Å; R80-F111 VanDerWaalsContact O-CZ 3.27Å; R80-F111 WeakPolarHBondContact O-CZ 3.42Å; R82-F111 HydrophobicContact CB-CE1 4.32Å; V108-F111 HydrophobicContact CG2-CD1 4.07Å; V108-F111 HydrophobicContact CG2-CE1 3.53Å; V108-F111 HydrophobicContact CG2-CE2 4.29Å; V108-F111 HydrophobicContact CG2-CZ 3.65Å; F111-M114 HydrophobicContact CB-CE 4.32Å; F111-M114 HydrophobicContact CD1-CE 3.5Å; F111-M114 HydrophobicContact CE1-CE 4.14Å; F111-M114 HydrophobicContact CG-CE 4.17Å
112	K	78.8	Confident	70.1	Confident	175 Å²	175	91.4 Å²	91.4	76%	0.761	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	141.3	176.9	-163	175.3	179.7	-176.8	0	109.4	S110 M114	S110-K112 PolarHBondContact OG-N 3.33Å; K112-M114 PolarHBondContact O-N 3.41Å
113	S	67.5	Low	68.8	Low	121 Å²	121	94 Å²	94	85%	0.846	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	9.7	175.8	54.1	0	0	0	0	118.7	L115	S113-L115 PolarHBondContact O-N 3.43Å; S113-L115 VanDerWaalsContact O-N 3.1Å
114	M	64.8	Low	67.3	Low	56 Å²	56	98.9 Å²	98.9	28%	0.276	54%	0.544	S	S	.	.			trans	-77.6	99.4	175.4	-71	-156	-75.5	0	0	111.8	V108 S110 F111 K112	V108-M114 HydrophobicContact CB-CE 3.84Å; V108-M114 HydrophobicContact CB-SD 4.37Å; V108-M114 HydrophobicContact CG1-CE 3.79Å; V108-M114 HydrophobicContact CG1-SD 3.85Å; V108-M114 HydrophobicContact CG2-CE 3.78Å; S110-M114 VanDerWaalsContact O-CE 3.31Å; S110-M114 WeakPolarHBondContact O-CE 3.45Å; F111-M114 HydrophobicContact CB-CE 4.32Å; F111-M114 HydrophobicContact CD1-CE 3.5Å; F111-M114 HydrophobicContact CE1-CE 4.14Å; F111-M114 HydrophobicContact CG-CE 4.17Å; K112-M114 PolarHBondContact O-N 3.41Å
115	L	63.1	Low	65.7	Low	136 Å²	136	102.6 Å²	102.6	71%	0.712	56%	0.562	S	S	*	*			trans	-72	162.9	162	-70.3	167.4	0	0	0	110.3	R82 S113 L117	R82-L115 PolarHBondContact NH1-O 2.91Å; R82-L115 PolarHBondContact NH2-O 2.92Å; S113-L115 PolarHBondContact O-N 3.43Å; S113-L115 VanDerWaalsContact O-N 3.1Å; L115-L117 PolarHBondContact O-N 3.46Å
116	A	55.5	Low	63.9	Low	68 Å²	68	105.6 Å²	105.6	56%	0.562	58%	0.584	S	S	*	*			trans	-70	81.8	170.5	0	0	0	0	0	108.4	Y22 A118	Y22-A116 HydrophobicContact CD1-CB 4.44Å; A116-A118 PolarHBondContact O-N 3.39Å
117	L	51.5	Low	62	Low	116 Å²	116	110.8 Å²	110.8	61%	0.607	61%	0.611	S	S	*	*			trans	-66.5	116.3	174.3	-66.5	177.2	0	0	0	108.5	L115 S119	L115-L117 PolarHBondContact O-N 3.46Å; L117-S119 PolarHBondContact O-N 3.06Å
118	A	44.4	Very low	60	Low	67 Å²	67	109.3 Å²	109.3	55%	0.554	61%	0.611	S	S	*	*			trans	-72.3	88.2	159	0	0	0	0	0	106.7	A116 W120	A116-A118 PolarHBondContact O-N 3.39Å; A118-W120 PolarHBondContact O-N 3.43Å; A118-W120 VanDerWaalsContact O-N 3.15Å
119	S	35.9	Very low	57.8	Low	59 Å²	59	115.1 Å²	115.1	41%	0.413	64%	0.643	S	S	.	*			trans	-68.8	109.2	168.7	178	0	0	0	0	107.3	L117 V121	L117-S119 PolarHBondContact O-N 3.06Å; S119-V121 PolarHBondContact O-N 3.31Å; S119-V121 VanDerWaalsContact O-N 3.11Å
120	W	27.5	Very low	55.6	Low	229 Å²	229	111.8 Å²	111.8	87%	0.867	63%	0.627	S	S	*	*			trans	-69.1	97.7	164.4	-71.8	80.7	0	0	0	106.9	A118	A118-W120 PolarHBondContact O-N 3.43Å; A118-W120 VanDerWaalsContact O-N 3.15Å
121	V	30.8	Very low	52.9	Low	104 Å²	104	115.2 Å²	115.2	63%	0.63	64%	0.637	S	S	*	*			trans	-99.8	99.7	158.1	-176.3	0	0	0	0	104.6	S119	S119-V121 PolarHBondContact O-N 3.31Å; S119-V121 VanDerWaalsContact O-N 3.11Å
122	V	30.7	Very low	50	Low	191 Å²	191	120.2 Å²	120.2	100%	1.158	67%	0.671	S	S	*	*			trans	-70	0	157.4	176.2	0	0	0	0	107.4

Retrieved 122 of 122 residues in 243.5 ms (Link to these results)

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