G4VM52_SCHMA Loading...

PB1 domain-containing protein

AlphaFold DB , UniProt , Accession G4VM52, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 183 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	34.1	Very low	245 Å²	245	155.8 Å²	155.8	100%	1.207	85%	0.847	S	S	*	*				0	108.7	0	-79.9	169.8	164	0	0	108.7
2	K	34.8	Very low	33.8	Very low	210 Å²	210	155.6 Å²	155.6	91%	0.913	84%	0.841	S	S	*	*			trans	-98.8	113.4	175.1	-89.2	178.2	174.9	175.4	0	107.9
3	L	35.3	Very low	33.4	Very low	167 Å²	167	152.2 Å²	152.2	87%	0.874	83%	0.83	S	S	*	*			trans	-67.1	129.1	173.2	-81.3	141.7	0	0	0	109.7
4	P	39.6	Very low	33.2	Very low	118 Å²	118	149.6 Å²	149.6	77%	0.766	83%	0.828	S	S	*	*			trans	-73.6	128.8	174.1	27.2	-29.4	0	0	0	110.5	S6	P4-S6 PolarHBondContact O-N 2.99Å
5	R	36.7	Very low	33.1	Very low	255 Å²	255	149.7 Å²	149.7	96%	0.962	83%	0.826	S	S	*	*			trans	-65.6	91.7	170.1	-70.2	177.6	174.2	167.7	-3.8	108.9	G7	R5-G7 PolarHBondContact O-N 3.43Å
6	S	37.5	Very low	33	Very low	112 Å²	112	151.1 Å²	151.1	78%	0.783	82%	0.822	S	S	*	*			trans	-86.1	101.9	169.2	-167.9	0	0	0	0	108.4	P4 S8	P4-S6 PolarHBondContact O-N 2.99Å; S6-S8 PolarHBondContact O-N 3.03Å
7	G	33.5	Very low	32.9	Very low	67 Å²	67	147.6 Å²	147.6	69%	0.691	81%	0.811	S	S	*	*			trans	-67.5	116.1	170.6	0	0	0	0	0	109.4	R5 L9	R5-G7 PolarHBondContact O-N 3.43Å; G7-L9 PolarHBondContact O-N 3.33Å
8	S	32	Very low	32.9	Very low	116 Å²	116	147.8 Å²	147.8	81%	0.811	81%	0.806	S	S	*	*			trans	-60.1	104.5	171.2	-72.5	0	0	0	0	110	S6 I10	S6-S8 PolarHBondContact O-N 3.03Å; S8-I10 PolarHBondContact O-N 3.34Å
9	L	29.4	Very low	33	Very low	161 Å²	161	149.2 Å²	149.2	84%	0.843	80%	0.803	S	S	*	*			trans	-71.7	114.6	161.6	-129	93.9	0	0	0	107.3	G7 T11	G7-L9 PolarHBondContact O-N 3.33Å; L9-T11 PolarHBondContact O-N 3.09Å; L9-T11 VanDerWaalsContact O-N 3.09Å
10	I	30.5	Very low	33.1	Very low	150 Å²	150	151.9 Å²	151.9	77%	0.769	81%	0.807	S	S	*	*			trans	-70.7	102.1	174.4	-61.4	170.1	0	0	0	107.3	S8 I12	S8-I10 PolarHBondContact O-N 3.34Å; I10-I12 PolarHBondContact O-N 3.21Å
11	T	29.8	Very low	33.3	Very low	113 Å²	113	153.8 Å²	153.8	69%	0.693	81%	0.811	S	S	*	*			trans	-73.1	105.5	169.5	-53	0	0	0	0	108.1	L9 T13	L9-T11 PolarHBondContact O-N 3.09Å; L9-T11 VanDerWaalsContact O-N 3.09Å; T11-T13 VanDerWaalsContact C-N 3.33Å; T11-T13 HydrophobicContact CG2-CG2 4.22Å; T11-T13 PolarHBondContact O-N 2.96Å
12	I	29.8	Very low	33.5	Very low	153 Å²	153	144.4 Å²	144.4	79%	0.785	78%	0.777	S	S	*	*			trans	-70.2	93.7	169.8	-57.4	174.6	0	0	0	106.9	I10 S14	I10-I12 PolarHBondContact O-N 3.21Å; I12-S14 PolarHBondContact O-N 3.21Å
13	T	29	Very low	34.1	Very low	112 Å²	112	142.7 Å²	142.7	69%	0.687	77%	0.772	S	S	*	*			trans	-75.7	101.7	168.3	47.9	0	0	0	0	108	T11 N15	T11-T13 VanDerWaalsContact C-N 3.33Å; T11-T13 HydrophobicContact CG2-CG2 4.22Å; T11-T13 PolarHBondContact O-N 2.96Å; T13-N15 PolarHBondContact O-N 3.42Å
14	S	31.5	Very low	34.8	Very low	115 Å²	115	140.2 Å²	140.2	80%	0.804	76%	0.759	S	S	*	*			trans	-55.6	119.3	167.4	179.2	0	0	0	0	108.9	I12 K16	I12-S14 PolarHBondContact O-N 3.21Å; S14-K16 PolarHBondContact O-N 3.17Å
15	N	31.6	Very low	35.8	Very low	151 Å²	151	139.5 Å²	139.5	81%	0.807	74%	0.744	S	S	*	*			trans	-54	132.7	180	-81.4	-39.6	0	0	0	111.3	T13 S17	T13-N15 PolarHBondContact O-N 3.42Å; N15-S17 PolarHBondContact O-N 3.04Å
16	K	30.3	Very low	37.5	Very low	172 Å²	172	131.5 Å²	131.5	75%	0.748	72%	0.723	S	S	*	*			trans	-40.4	109.4	165.7	-90.5	178.8	169.7	-166.7	0	110.5	S14 E18	S14-K16 PolarHBondContact O-N 3.17Å; K16-E18 HydrophobicContact CB-CG 4.47Å; K16-E18 HydrophobicContact CD-CG 4.03Å; K16-E18 WeakPolarHBondContact CE-OE1 3.16Å; K16-E18 HydrophobicContact CG-CG 4.2Å; K16-E18 IonicContact NZ-OE1 2.68Å; K16-E18 PolarHBondContact NZ-OE1 2.68Å
17	S	32.7	Very low	39.4	Very low	93 Å²	93	126.4 Å²	126.4	65%	0.65	69%	0.687	S	S	*	*			trans	-95.1	101.2	132.8	71.8	0	0	0	0	106	N15 K19	N15-S17 PolarHBondContact O-N 3.04Å; S17-K19 PolarHBondContact O-N 3.36Å
18	E	31.4	Very low	41.7	Very low	151 Å²	151	127.9 Å²	127.9	71%	0.706	68%	0.679	S	S	*	*			trans	-66.1	62.5	160.1	-74.9	175.4	166.3	0	0	108.6	K16 K20	K16-E18 HydrophobicContact CB-CG 4.47Å; K16-E18 HydrophobicContact CD-CG 4.03Å; K16-E18 WeakPolarHBondContact CE-OE1 3.16Å; K16-E18 HydrophobicContact CG-CG 4.2Å; K16-E18 IonicContact NZ-OE1 2.68Å; K16-E18 PolarHBondContact NZ-OE1 2.68Å; E18-K20 PolarHBondContact O-N 2.77Å
19	K	35.1	Very low	44.6	Very low	173 Å²	173	122.5 Å²	122.5	75%	0.752	64%	0.641	S	S	*	*			trans	-78.1	110.9	157.6	-83.2	-177.8	176.6	176.7	0	104.3	S17 H21	S17-K19 PolarHBondContact O-N 3.36Å; K19-H21 PolarHBondContact O-N 3.14Å; K19-H21 VanDerWaalsContact O-N 3.14Å
20	K	35	Very low	47.7	Very low	203 Å²	203	114.8 Å²	114.8	88%	0.883	60%	0.601	S	S	*	*			trans	-21	118.7	166.2	-68.9	179.5	174.9	-180	0	108.6	E18 G22	E18-K20 PolarHBondContact O-N 2.77Å; K20-G22 PolarHBondContact O-N 2.63Å
21	H	38.2	Very low	50.8	Low	193 Å²	193	110 Å²	110	89%	0.894	57%	0.574	S	S	*	*			trans	-60.1	70	164.1	-99.3	47.4	0	0	0	107.4	K19 H23	K19-H21 PolarHBondContact O-N 3.14Å; K19-H21 VanDerWaalsContact O-N 3.14Å; H21-H23 PolarHBondContact O-N 2.78Å
22	G	39.9	Very low	53.9	Low	48 Å²	48	104.6 Å²	104.6	50%	0.495	54%	0.541	S	S	.	.			trans	-61.2	102.8	152.5	0	0	0	0	0	102.5	K20 L24	K20-G22 PolarHBondContact O-N 2.63Å; G22-L24 PolarHBondContact O-N 2.93Å
23	H	47.8	Very low	57.1	Low	173 Å²	173	99.4 Å²	99.4	80%	0.801	51%	0.513	S	S	*	.			trans	-35.1	113.8	169.5	-113.3	-92.6	0	0	0	107.1	H21 K25	H21-H23 PolarHBondContact O-N 2.78Å; H23-K25 PolarHBondContact O-N 3.1Å
24	L	50.6	Low	60.3	Low	115 Å²	115	94.2 Å²	94.2	60%	0.602	48%	0.481	S	S	*	.			trans	-55	102.2	168.2	-90.1	156.7	0	0	0	104.7	G22 T26	G22-L24 PolarHBondContact O-N 2.93Å; L24-T26 VanDerWaalsContact C-N 3.31Å; L24-T26 PolarHBondContact O-N 2.75Å; L24-T26 PolarHBondContact O-OG1 2.97Å; L24-T26 VanDerWaalsContact O-OG1 3.1Å
25	K	59	Low	63.2	Low	104 Å²	104	92.6 Å²	92.6	45%	0.452	46%	0.458	S	S	.	.			trans	-58.3	101.2	-178.9	-97.8	-179.7	169.8	-176.6	0	105.9	H23 M27 L107 N110	H23-K25 PolarHBondContact O-N 3.1Å; K25-M27 PolarHBondContact O-N 2.92Å; K25-L107 HydrophobicContact CD-CB 4.45Å; K25-L107 PolarHBondContact NZ-O 3.23Å; K25-N110 WeakPolarHBondContact CD-OD1 3.39Å
26	T	73.3	Confident	65.8	Low	87 Å²	87	87 Å²	87	53%	0.534	43%	0.428	S	S	.	.			trans	-77.2	125.5	-174.7	-54.3	0	0	0	0	106.7	L24 L28	L24-T26 VanDerWaalsContact C-N 3.31Å; L24-T26 PolarHBondContact O-N 2.75Å; L24-T26 PolarHBondContact O-OG1 2.97Å; L24-T26 VanDerWaalsContact O-OG1 3.1Å; T26-L28 PolarHBondContact O-N 3.05Å
27	M	76.7	Confident	68	Low	4 Å²	4	82.6 Å²	82.6	2%	0.02	42%	0.417	C	S	.	.			trans	-57.7	133.4	172.6	-84.9	-152.3	167.1	0	0	110.5	K25 L49 I98 L101 Q102 L107 N110 C111 L112	K25-M27 PolarHBondContact O-N 2.92Å; M27-L49 HydrophobicContact CB-CD2 4.28Å; M27-L49 WeakPolarHBondContact O-CD2 3.45Å; M27-I98 HydrophobicContact CB-CG2 4.1Å; M27-I98 HydrophobicContact CG-CG2 4.27Å; M27-I98 HydrophobicContact SD-CB 4.06Å; M27-I98 HydrophobicContact SD-CG1 3.73Å; M27-I98 HydrophobicContact SD-CG2 3.83Å; M27-L101 HydrophobicContact CE-CB 3.59Å; M27-L101 HydrophobicContact CE-CD1 3.26Å; M27-L101 HydrophobicContact CE-CG 4.05Å; M27-Q102 HydrophobicContact CB-CG 4.47Å; M27-Q102 HydrophobicContact CG-CG 4.18Å; M27-L107 HydrophobicContact CE-CD1 4.27Å; M27-L107 HydrophobicContact CE-CD2 3.48Å; M27-L107 VanDerWaalsContact CE-CD2 3.48Å; M27-L107 HydrophobicContact CE-CG 4.49Å; M27-L107 HydrophobicContact CG-CD1 3.8Å; M27-L107 HydrophobicContact CG-CD2 4.48Å; M27-N110 WeakPolarHBondContact CA-O 3.23Å; M27-C111 VanDerWaalsContact CE-C 3.48Å; M27-L112 HydrophobicContact CE-CB 3.83Å; M27-L112 VanDerWaalsContact CE-N 3.34Å; M27-L112 HydrophobicContact SD-CB 3.87Å
28	L	83	Confident	70.2	Confident	99 Å²	99	82 Å²	82	52%	0.518	43%	0.425	S	S	.	.			trans	-104.8	-27.3	-176.6	-61.8	179	0	0	0	112.4	T26 L49 N110	T26-L28 PolarHBondContact O-N 3.05Å; L28-L49 PolarHBondContact O-N 3.38Å; L28-N110 HydrophobicContact CG-CB 4.38Å; L28-N110 PolarHBondContact N-O 3.45Å
29	A	91.6	Very high	72.5	Confident	2 Å²	2	82.9 Å²	82.9	2%	0.017	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	165.9	-173.1	0	0	0	0	0	113.1	R46 L47 C111 L112	A29-R46 HydrophobicContact CB-CG 3.7Å; A29-L47 CarbonylContact C-O 3.49Å; A29-L47 WeakPolarHBondContact CA-O 3.26Å; A29-L47 VanDerWaalsContact CB-O 3.3Å; A29-L47 WeakPolarHBondContact CB-O 3.26Å; A29-C111 WeakPolarHBondContact O-CA 3.41Å; A29-L112 PolarHBondContact O-N 2.97Å; A29-L112 VanDerWaalsContact O-N 3.08Å
30	I	94.2	Very high	74.8	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.6	167	-55.2	154.8	0	0	0	106.6	F32 R46 L47 F52 I94 I98 L112 V114	I30-F32 HydrophobicContact CB-CE2 3.9Å; I30-F32 HydrophobicContact CB-CZ 4.23Å; I30-F32 HydrophobicContact CG2-CD2 4.06Å; I30-F32 HydrophobicContact CG2-CE1 4.06Å; I30-F32 HydrophobicContact CG2-CE2 3.52Å; I30-F32 HydrophobicContact CG2-CZ 3.52Å; I30-R46 WeakPolarHBondContact O-CA 3.34Å; I30-L47 PolarHBondContact N-O 3.27Å; I30-L47 PolarHBondContact O-N 3.39Å; I30-F52 HydrophobicContact CD1-CB 4.05Å; I30-F52 HydrophobicContact CD1-CD1 3.78Å; I30-F52 HydrophobicContact CD1-CD2 3.57Å; I30-F52 HydrophobicContact CD1-CE1 4.11Å; I30-F52 HydrophobicContact CD1-CE2 3.91Å; I30-F52 HydrophobicContact CD1-CG 3.5Å; I30-F52 VanDerWaalsContact CD1-CG 3.5Å; I30-F52 HydrophobicContact CD1-CZ 4.17Å; I30-I94 HydrophobicContact CD1-CG2 3.6Å; I30-I94 HydrophobicContact CG1-CG2 4.25Å; I30-I98 HydrophobicContact CD1-CD1 4.25Å; I30-I98 HydrophobicContact CG1-CD1 4.23Å; I30-L112 CarbonylContact C-O 3.58Å; I30-L112 WeakPolarHBondContact CA-O 3.47Å; I30-L112 HydrophobicContact CG1-CB 4.36Å; I30-L112 HydrophobicContact CG2-CB 4.34Å; I30-L112 HydrophobicContact CG2-CD2 4.23Å; I30-L112 HydrophobicContact CG2-CG 4.47Å; I30-V114 HydrophobicContact CG2-CB 4.46Å; I30-V114 HydrophobicContact CG2-CG2 3.65Å
31	K	95.5	Very high	77.3	Confident	49 Å²	49	76.9 Å²	76.9	21%	0.213	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	114.2	173.4	-74.9	179.4	178	173.8	0	108.6	F33 Y45 R46 D109 C111 L112 V114	K31-F33 HydrophobicContact CB-CE2 3.91Å; K31-F33 HydrophobicContact CB-CZ 4.16Å; K31-F33 HydrophobicContact CD-CZ 4.29Å; K31-Y45 CarbonylContact C-O 3.55Å; K31-Y45 WeakPolarHBondContact CA-O 3.43Å; K31-R46 HydrophobicContact CG-CB 4.49Å; K31-R46 HydrophobicContact CG-CG 4.24Å; K31-D109 IonicContact NZ-OD2 2.68Å; K31-D109 PolarHBondContact NZ-OD2 2.77Å; K31-C111 HydrophobicContact CD-CB 3.98Å; K31-C111 HydrophobicContact CG-CB 3.98Å; K31-L112 PolarHBondContact N-O 3.27Å; K31-V114 PolarHBondContact O-N 3.09Å
32	F	96.7	Very high	79.9	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.2	173.2	-61.6	-89	0	0	0	109.1	I30 I34 T44 Y45 L47 L60 L64 L77 V114 V116	I30-F32 HydrophobicContact CB-CE2 3.9Å; I30-F32 HydrophobicContact CB-CZ 4.23Å; I30-F32 HydrophobicContact CG2-CD2 4.06Å; I30-F32 HydrophobicContact CG2-CE1 4.06Å; I30-F32 HydrophobicContact CG2-CE2 3.52Å; I30-F32 HydrophobicContact CG2-CZ 3.52Å; F32-I34 HydrophobicContact CB-CG1 4.39Å; F32-T44 WeakPolarHBondContact O-CA 3.48Å; F32-Y45 AromaticContact CD2-CD1 3.71Å; F32-Y45 HydrophobicContact CD2-CD1 3.71Å; F32-Y45 HydrophobicContact CD2-CE1 4.32Å; F32-Y45 HydrophobicContact CE2-CD1 4.37Å; F32-Y45 HydrophobicContact CG-CD1 4.42Å; F32-Y45 PolarHBondContact N-O 2.94Å; F32-Y45 PolarHBondContact O-N 3.31Å; F32-L47 HydrophobicContact CD2-CB 4.5Å; F32-L47 HydrophobicContact CE2-CB 3.94Å; F32-L47 HydrophobicContact CE2-CD2 4.15Å; F32-L60 HydrophobicContact CE1-CD1 4.01Å; F32-L60 HydrophobicContact CE1-CD2 4.43Å; F32-L60 HydrophobicContact CE2-CD1 4.26Å; F32-L60 HydrophobicContact CZ-CD1 3.61Å; F32-L60 HydrophobicContact CZ-CD2 4.45Å; F32-L64 HydrophobicContact CD1-CD2 4.49Å; F32-L64 HydrophobicContact CG-CD2 4.48Å; F32-L77 HydrophobicContact CD1-CD2 4.49Å; F32-L77 HydrophobicContact CE1-CD2 4.06Å; F32-V114 CarbonylContact C-O 3.53Å; F32-V114 WeakPolarHBondContact CA-O 3.32Å; F32-V114 HydrophobicContact CD1-CB 3.83Å; F32-V114 HydrophobicContact CD1-CG1 3.8Å; F32-V114 HydrophobicContact CD1-CG2 4.45Å; F32-V114 HydrophobicContact CE1-CB 4.13Å; F32-V114 HydrophobicContact CE1-CG1 4.03Å; F32-V114 HydrophobicContact CE1-CG2 4.29Å; F32-V116 HydrophobicContact CB-CG2 3.95Å; F32-V116 HydrophobicContact CD1-CG2 3.79Å; F32-V116 HydrophobicContact CG-CG2 4.37Å
33	F	96	Very high	82.4	Confident	44 Å²	44	70.6 Å²	70.6	19%	0.193	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	100.1	173.9	-61.8	-84.9	0	0	0	108.5	K31 Y35 P42 T44 H113 V114 V116	K31-F33 HydrophobicContact CB-CE2 3.91Å; K31-F33 HydrophobicContact CB-CZ 4.16Å; K31-F33 HydrophobicContact CD-CZ 4.29Å; F33-Y35 HydrophobicContact CB-CE2 3.71Å; F33-Y35 WeakPolarHBondContact O-CD2 3.47Å; F33-Y35 WeakPolarHBondContact O-CE2 3.41Å; F33-P42 HydrophobicContact CB-CB 4.22Å; F33-P42 HydrophobicContact CB-CG 4.47Å; F33-P42 HydrophobicContact CD1-CG 4.33Å; F33-T44 HydrophobicContact CD1-CG2 4.29Å; F33-T44 HydrophobicContact CE1-CG2 4.05Å; F33-H113 HydrophobicContact CD2-CB 4.46Å; F33-H113 HydrophobicContact CE2-CB 3.83Å; F33-H113 AromaticContact CE2-CG 3.73Å; F33-H113 AromaticContact CE2-ND1 3.78Å; F33-V114 PolarHBondContact N-O 3.36Å; F33-V116 PolarHBondContact O-N 2.71Å
34	I	95.4	Very high	84.6	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.01	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	110.3	-172.2	-48.9	165.5	0	0	0	109.8	F32 P42 I43 L64 I67 T68 V116 S118	F32-I34 HydrophobicContact CB-CG1 4.39Å; I34-P42 CarbonylContact O-C 3.52Å; I34-P42 VanDerWaalsContact O-CA 3.26Å; I34-P42 WeakPolarHBondContact O-CA 3.47Å; I34-I43 HydrophobicContact CB-CB 4.24Å; I34-I43 PolarHBondContact N-O 3.25Å; I34-I43 PolarHBondContact O-N 3.41Å; I34-L64 HydrophobicContact CD1-CD2 3.84Å; I34-L64 HydrophobicContact CG1-CD2 4.31Å; I34-I67 HydrophobicContact CD1-CG2 3.96Å; I34-T68 HydrophobicContact CD1-CG2 4.31Å; I34-T68 HydrophobicContact CG2-CG2 3.85Å; I34-V116 WeakPolarHBondContact CA-O 3.4Å; I34-V116 HydrophobicContact CB-CB 4.34Å; I34-V116 HydrophobicContact CG1-CB 4.03Å; I34-V116 HydrophobicContact CG1-CG1 4.35Å; I34-V116 HydrophobicContact CG1-CG2 4.24Å; I34-V116 HydrophobicContact CG2-CB 4.45Å; I34-V116 HydrophobicContact CG2-CG1 4.32Å; I34-S118 WeakPolarHBondContact CG2-OG 3.32Å
35	Y	93.7	Very high	86.8	Confident	82 Å²	82	63.3 Å²	63.3	32%	0.322	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	122.1	-178	-67.1	-90.4	0	0	0	110.5	F33 P42 K115 V116 S118	F33-Y35 HydrophobicContact CB-CE2 3.71Å; F33-Y35 WeakPolarHBondContact O-CD2 3.47Å; F33-Y35 WeakPolarHBondContact O-CE2 3.41Å; Y35-P42 HydrophobicContact CD1-CB 3.94Å; Y35-P42 HydrophobicContact CD1-CG 4.47Å; Y35-P42 HydrophobicContact CD2-CB 4.31Å; Y35-P42 HydrophobicContact CE1-CB 3.78Å; Y35-P42 HydrophobicContact CE1-CG 3.86Å; Y35-P42 HydrophobicContact CE2-CB 4.13Å; Y35-P42 HydrophobicContact CG-CB 4.21Å; Y35-K115 HydrophobicContact CD2-CD 4.47Å; Y35-K115 HydrophobicContact CD2-CG 3.87Å; Y35-K115 HydrophobicContact CE2-CB 4.45Å; Y35-K115 HydrophobicContact CE2-CD 4.1Å; Y35-K115 HydrophobicContact CE2-CG 3.67Å; Y35-V116 PolarHBondContact N-O 3.02Å; Y35-S118 VanDerWaalsContact O-CB 3.25Å; Y35-S118 WeakPolarHBondContact O-CB 2.91Å; Y35-S118 PolarHBondContact O-N 2.9Å; Y35-S118 VanDerWaalsContact O-N 3.14Å; Y35-S118 PolarHBondContact O-OG 3.15Å
36	N	86.4	Confident	88.5	Confident	34 Å²	34	65 Å²	65	18%	0.182	35%	0.35	C	S	.	.			trans	-95.2	126.6	172.1	-175.4	-2.8	0	0	0	109.8	G38 Y39 F72	N36-G38 PolarHBondContact O-N 3.03Å; N36-Y39 HydrophobicContact CB-CD2 3.87Å; N36-Y39 WeakPolarHBondContact ND2-CD2 3.44Å; N36-Y39 WeakPolarHBondContact ND2-CE2 3.46Å; N36-Y39 PolarHBondContact O-N 3.21Å; N36-Y39 VanDerWaalsContact O-N 3.1Å; N36-F72 HydrophobicContact CB-CE1 4.37Å; N36-F72 HydrophobicContact CB-CZ 3.77Å; N36-F72 VanDerWaalsContact OD1-CE1 3.31Å; N36-F72 WeakPolarHBondContact OD1-CE1 3.43Å; N36-F72 WeakPolarHBondContact OD1-CZ 3.43Å
37	P	76.6	Confident	89.5	Confident	79 Å²	79	61 Å²	61	51%	0.513	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	106.1	166.8	-20.8	31	0	0	0	110.8
38	G	77.6	Confident	90.3	Very high	80 Å²	80	66.2 Å²	66.2	83%	0.825	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.6	-9.7	179.2	0	0	0	0	0	115.3	N36	N36-G38 PolarHBondContact O-N 3.03Å
39	Y	80.6	Confident	90.6	Very high	169 Å²	169	63.1 Å²	63.1	66%	0.663	33%	0.333	S	S	*	.			trans	-117.4	136.9	173.2	-64.7	-95.2	0	0	0	110.3	N36	N36-Y39 HydrophobicContact CB-CD2 3.87Å; N36-Y39 WeakPolarHBondContact ND2-CD2 3.44Å; N36-Y39 WeakPolarHBondContact ND2-CE2 3.46Å; N36-Y39 PolarHBondContact O-N 3.21Å; N36-Y39 VanDerWaalsContact O-N 3.1Å
40	S	82.2	Confident	90.5	Very high	115 Å²	115	66.5 Å²	66.5	80%	0.804	36%	0.357	S	S	*	.	S	Bend	trans	-78.1	-25.3	-179.2	52.4	0	0	0	0	113.4
41	I	89.1	Confident	90.3	Very high	136 Å²	136	71.6 Å²	71.6	70%	0.697	38%	0.384	S	S	*	.	S	Bend	trans	-103.4	122.6	-174.8	-56.5	174.2	0	0	0	109.2
42	P	92.4	Very high	90.1	Very high	29 Å²	29	69.6 Å²	69.6	19%	0.188	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-72.9	145.5	176.9	29.4	-33.6	0	0	0	111.6	F33 I34 Y35 T44	F33-P42 HydrophobicContact CB-CB 4.22Å; F33-P42 HydrophobicContact CB-CG 4.47Å; F33-P42 HydrophobicContact CD1-CG 4.33Å; I34-P42 CarbonylContact O-C 3.52Å; I34-P42 VanDerWaalsContact O-CA 3.26Å; I34-P42 WeakPolarHBondContact O-CA 3.47Å; Y35-P42 HydrophobicContact CD1-CB 3.94Å; Y35-P42 HydrophobicContact CD1-CG 4.47Å; Y35-P42 HydrophobicContact CD2-CB 4.31Å; Y35-P42 HydrophobicContact CE1-CB 3.78Å; Y35-P42 HydrophobicContact CE1-CG 3.86Å; Y35-P42 HydrophobicContact CE2-CB 4.13Å; Y35-P42 HydrophobicContact CG-CB 4.21Å; P42-T44 PolarHBondContact O-N 2.65Å
43	I	92.5	Very high	89.6	Confident	80 Å²	80	77.6 Å²	77.6	41%	0.41	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	120.9	166.1	-58.9	168.7	0	0	0	107	I34 I67	I34-I43 HydrophobicContact CB-CB 4.24Å; I34-I43 PolarHBondContact N-O 3.25Å; I34-I43 PolarHBondContact O-N 3.41Å; I43-I67 HydrophobicContact CG2-CG2 4.11Å
44	T	94.5	Very high	89.2	Confident	82 Å²	82	82 Å²	82	50%	0.503	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.7	178.3	-58.3	0	0	0	0	109.9	F32 F33 P42	F32-T44 WeakPolarHBondContact O-CA 3.48Å; F33-T44 HydrophobicContact CD1-CG2 4.29Å; F33-T44 HydrophobicContact CE1-CG2 4.05Å; P42-T44 PolarHBondContact O-N 2.65Å
45	Y	95.3	Very high	89	Confident	52 Å²	52	83.5 Å²	83.5	20%	0.204	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.8	173.8	174	-117.5	0	0	0	110.7	K31 F32 L47 K63 I67	K31-Y45 CarbonylContact C-O 3.55Å; K31-Y45 WeakPolarHBondContact CA-O 3.43Å; F32-Y45 AromaticContact CD2-CD1 3.71Å; F32-Y45 HydrophobicContact CD2-CD1 3.71Å; F32-Y45 HydrophobicContact CD2-CE1 4.32Å; F32-Y45 HydrophobicContact CE2-CD1 4.37Å; F32-Y45 HydrophobicContact CG-CD1 4.42Å; F32-Y45 PolarHBondContact N-O 2.94Å; F32-Y45 PolarHBondContact O-N 3.31Å; Y45-L47 HydrophobicContact CE1-CB 3.87Å; Y45-K63 HydrophobicContact CE1-CG 4.27Å; Y45-I67 HydrophobicContact CD1-CD1 3.44Å; Y45-I67 VanDerWaalsContact CD1-CD1 3.44Å; Y45-I67 HydrophobicContact CD2-CD1 3.55Å; Y45-I67 HydrophobicContact CD2-CG1 4.38Å; Y45-I67 HydrophobicContact CE1-CD1 3.68Å; Y45-I67 HydrophobicContact CE2-CD1 3.79Å; Y45-I67 HydrophobicContact CG-CD1 3.37Å
46	R	94.9	Very high	89.1	Confident	140 Å²	140	83.1 Å²	83.1	53%	0.528	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	119.7	177.7	-172.3	-179.8	-176.9	-175.7	1.4	110.1	A29 I30 K31	A29-R46 HydrophobicContact CB-CG 3.7Å; I30-R46 WeakPolarHBondContact O-CA 3.34Å; K31-R46 HydrophobicContact CG-CB 4.49Å; K31-R46 HydrophobicContact CG-CG 4.24Å
47	L	94.2	Very high	89.5	Confident	4 Å²	4	84.5 Å²	84.5	2%	0.021	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.5	175.6	-178.8	58.8	0	0	0	110.2	A29 I30 F32 Y45 L51 F52 M55	A29-L47 CarbonylContact C-O 3.49Å; A29-L47 WeakPolarHBondContact CA-O 3.26Å; A29-L47 VanDerWaalsContact CB-O 3.3Å; A29-L47 WeakPolarHBondContact CB-O 3.26Å; I30-L47 PolarHBondContact N-O 3.27Å; I30-L47 PolarHBondContact O-N 3.39Å; F32-L47 HydrophobicContact CD2-CB 4.5Å; F32-L47 HydrophobicContact CE2-CB 3.94Å; F32-L47 HydrophobicContact CE2-CD2 4.15Å; Y45-L47 HydrophobicContact CE1-CB 3.87Å; L47-L51 HydrophobicContact CD1-CB 3.91Å; L47-L51 HydrophobicContact CD1-CD1 4.35Å; L47-F52 HydrophobicContact CD2-CB 4.21Å; L47-F52 HydrophobicContact CD2-CD2 3.66Å; L47-F52 HydrophobicContact CD2-CG 4.41Å; L47-F52 HydrophobicContact CG-CB 4.46Å; L47-M55 HydrophobicContact CD2-CE 4.41Å; L47-M55 HydrophobicContact CD2-SD 3.67Å
48	Q	93.5	Very high	90.4	Very high	113 Å²	113	86.5 Å²	86.5	53%	0.528	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	139.5	175.6	-69.5	-177.1	-40	0	0	111	S50 L51 F52	Q48-S50 PolarHBondContact O-N 3.4Å; Q48-L51 HydrophobicContact CB-CD1 4.26Å; Q48-L51 HydrophobicContact CB-CG 4.29Å; Q48-L51 WeakPolarHBondContact O-CB 3.42Å; Q48-L51 PolarHBondContact O-N 3.5Å; Q48-F52 PolarHBondContact O-N 3.43Å; Q48-F52 VanDerWaalsContact O-N 3.14Å
49	L	90.3	Very high	91.3	Very high	33 Å²	33	88 Å²	88	17%	0.173	44%	0.439	C	S	.	.	H	α-helix	trans	-63.3	-31	-177	-173	58.7	0	0	0	112.3	M27 L28 L51 F52 K53 I98	M27-L49 HydrophobicContact CB-CD2 4.28Å; M27-L49 WeakPolarHBondContact O-CD2 3.45Å; L28-L49 PolarHBondContact O-N 3.38Å; L49-L51 VanDerWaalsContact C-N 3.3Å; L49-L51 PolarHBondContact O-N 3.02Å; L49-F52 HydrophobicContact CD1-CB 4.31Å; L49-F52 HydrophobicContact CD1-CD1 4.27Å; L49-F52 PolarHBondContact O-N 2.88Å; L49-K53 PolarHBondContact O-N 3.46Å; L49-I98 HydrophobicContact CD1-CD1 3.53Å; L49-I98 HydrophobicContact CD2-CG2 4.29Å
50	S	89.4	Confident	92	Very high	74 Å²	74	80 Å²	80	52%	0.517	41%	0.407	S	S	.	.	H	α-helix	trans	-59	-38.9	173.3	51.9	0	0	0	0	112.8	Q48	Q48-S50 PolarHBondContact O-N 3.4Å
51	L	89.4	Confident	92.7	Very high	107 Å²	107	76.1 Å²	76.1	56%	0.56	38%	0.377	S	S	*	.	H	α-helix	trans	-76.8	-30	177.6	-61.3	176.3	0	0	0	111.8	L47 Q48 L49 K53	L47-L51 HydrophobicContact CD1-CB 3.91Å; L47-L51 HydrophobicContact CD1-CD1 4.35Å; Q48-L51 HydrophobicContact CB-CD1 4.26Å; Q48-L51 HydrophobicContact CB-CG 4.29Å; Q48-L51 WeakPolarHBondContact O-CB 3.42Å; Q48-L51 PolarHBondContact O-N 3.5Å; L49-L51 VanDerWaalsContact C-N 3.3Å; L49-L51 PolarHBondContact O-N 3.02Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 2.99Å
52	F	91.5	Very high	93	Very high	7 Å²	7	75 Å²	75	3%	0.031	37%	0.37	C	S	.	.	H	α-helix	trans	-68.7	-27.4	179.4	-171.5	-103.8	0	0	0	113.2	I30 L47 Q48 L49 N54 M55 L60 V91 I94 I95	I30-F52 HydrophobicContact CD1-CB 4.05Å; I30-F52 HydrophobicContact CD1-CD1 3.78Å; I30-F52 HydrophobicContact CD1-CD2 3.57Å; I30-F52 HydrophobicContact CD1-CE1 4.11Å; I30-F52 HydrophobicContact CD1-CE2 3.91Å; I30-F52 HydrophobicContact CD1-CG 3.5Å; I30-F52 VanDerWaalsContact CD1-CG 3.5Å; I30-F52 HydrophobicContact CD1-CZ 4.17Å; L47-F52 HydrophobicContact CD2-CB 4.21Å; L47-F52 HydrophobicContact CD2-CD2 3.66Å; L47-F52 HydrophobicContact CD2-CG 4.41Å; L47-F52 HydrophobicContact CG-CB 4.46Å; Q48-F52 PolarHBondContact O-N 3.43Å; Q48-F52 VanDerWaalsContact O-N 3.14Å; L49-F52 HydrophobicContact CD1-CB 4.31Å; L49-F52 HydrophobicContact CD1-CD1 4.27Å; L49-F52 PolarHBondContact O-N 2.88Å; F52-N54 PolarHBondContact O-N 3.46Å; F52-M55 HydrophobicContact CD2-CB 4.06Å; F52-M55 HydrophobicContact CD2-CG 4.41Å; F52-M55 HydrophobicContact CD2-SD 4.06Å; F52-M55 HydrophobicContact CE2-CB 4.39Å; F52-M55 HydrophobicContact CE2-CG 4.49Å; F52-M55 HydrophobicContact CE2-SD 4.38Å; F52-M55 VanDerWaalsContact O-CB 3.23Å; F52-M55 WeakPolarHBondContact O-CB 3.36Å; F52-M55 PolarHBondContact O-N 3.46Å; F52-L60 HydrophobicContact CE2-CD2 4.44Å; F52-V91 HydrophobicContact CE1-CB 4.43Å; F52-V91 HydrophobicContact CE2-CG1 4.21Å; F52-V91 HydrophobicContact CZ-CB 3.79Å; F52-V91 HydrophobicContact CZ-CG1 3.91Å; F52-I94 HydrophobicContact CD1-CG2 4.36Å; F52-I94 HydrophobicContact CE1-CB 3.99Å; F52-I94 HydrophobicContact CE1-CG2 3.53Å; F52-I94 HydrophobicContact CE2-CD1 3.9Å; F52-I94 HydrophobicContact CE2-CG2 4.26Å; F52-I94 HydrophobicContact CZ-CB 3.69Å; F52-I94 HydrophobicContact CZ-CD1 3.61Å; F52-I94 HydrophobicContact CZ-CG1 4.22Å; F52-I94 HydrophobicContact CZ-CG2 3.47Å; F52-I94 VanDerWaalsContact CZ-CG2 3.47Å; F52-I95 HydrophobicContact CE1-CG1 4.15Å
53	K	86.3	Confident	93.1	Very high	168 Å²	168	77 Å²	77	73%	0.73	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-31.7	-178.5	-71.4	-175.6	179.6	-175	0	114.5	L49 L51	L49-K53 PolarHBondContact O-N 3.46Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 2.99Å
54	N	87	Confident	93.3	Very high	135 Å²	135	73.2 Å²	73.2	72%	0.722	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	9.4	-178.5	-61.3	-31.4	0	0	0	112.9	F52	F52-N54 PolarHBondContact O-N 3.46Å
55	M	92.6	Very high	93.3	Very high	35 Å²	35	71 Å²	71	17%	0.172	34%	0.339	C	S	.	.			trans	-88.6	134	-178.4	-166.5	156.6	-96.8	0	0	109.8	L47 F52 K59 L60 K63	L47-M55 HydrophobicContact CD2-CE 4.41Å; L47-M55 HydrophobicContact CD2-SD 3.67Å; F52-M55 HydrophobicContact CD2-CB 4.06Å; F52-M55 HydrophobicContact CD2-CG 4.41Å; F52-M55 HydrophobicContact CD2-SD 4.06Å; F52-M55 HydrophobicContact CE2-CB 4.39Å; F52-M55 HydrophobicContact CE2-CG 4.49Å; F52-M55 HydrophobicContact CE2-SD 4.38Å; F52-M55 VanDerWaalsContact O-CB 3.23Å; F52-M55 WeakPolarHBondContact O-CB 3.36Å; F52-M55 PolarHBondContact O-N 3.46Å; M55-K59 HydrophobicContact CE-CB 4.44Å; M55-K59 HydrophobicContact CG-CB 4.1Å; M55-L60 HydrophobicContact CG-CB 4Å; M55-L60 HydrophobicContact SD-CB 3.88Å; M55-L60 HydrophobicContact SD-CD1 3.86Å; M55-L60 HydrophobicContact SD-CG 4.47Å; M55-K63 HydrophobicContact CE-CB 4.46Å
56	N	94.6	Very high	93.3	Very high	74 Å²	74	72.7 Å²	72.7	40%	0.396	35%	0.349	S	S	.	.			trans	-107.3	170.7	167.1	65.3	25.3	0	0	0	109.1	N58 K59 L60	N56-N58 VanDerWaalsContact C-N 3.33Å; N56-N58 PolarHBondContact O-N 3.44Å; N56-N58 PolarHBondContact OD1-N 2.96Å; N56-K59 PolarHBondContact O-N 3.3Å; N56-K59 WeakPolarHBondContact OD1-CB 3.37Å; N56-K59 VanDerWaalsContact OD1-CG 3.29Å; N56-K59 WeakPolarHBondContact OD1-CG 3.43Å; N56-K59 PolarHBondContact OD1-N 3.42Å; N56-L60 PolarHBondContact O-N 3.3Å
57	W	95.4	Very high	93.3	Very high	63 Å²	63	67.9 Å²	67.9	24%	0.239	33%	0.334	C	S	.	.	H	α-helix	trans	-54.8	-47.5	-177.2	-173.6	-110.4	0	0	0	112.7	K59 L60 I61 L77 I88 V91	W57-K59 PolarHBondContact O-N 3.13Å; W57-L60 HydrophobicContact CE3-CD2 4.21Å; W57-L60 HydrophobicContact CZ3-CD2 4.11Å; W57-L60 WeakPolarHBondContact O-CB 3.49Å; W57-L60 PolarHBondContact O-N 3.45Å; W57-L60 VanDerWaalsContact O-N 3.13Å; W57-I61 HydrophobicContact CD2-CG1 4.2Å; W57-I61 HydrophobicContact CG-CG1 4.42Å; W57-I61 HydrophobicContact CH2-CD1 4.27Å; W57-I61 HydrophobicContact CZ2-CD1 3.78Å; W57-I61 HydrophobicContact CZ2-CG1 4.17Å; W57-I61 WeakPolarHBondContact O-CG1 3.39Å; W57-I61 PolarHBondContact O-N 3.12Å; W57-L77 HydrophobicContact CH2-CD2 4.14Å; W57-L77 HydrophobicContact CZ3-CD2 4.26Å; W57-I88 HydrophobicContact CH2-CG2 4.23Å; W57-I88 WeakPolarHBondContact CH2-O 3.4Å; W57-I88 HydrophobicContact CZ3-CG2 3.87Å; W57-V91 HydrophobicContact CE3-CG1 4.35Å
58	N	95.3	Very high	93.2	Very high	120 Å²	120	67.8 Å²	67.8	64%	0.642	33%	0.333	S	S	*	.	H	α-helix	trans	-60.3	-43	-179.8	-66.4	-17.4	0	0	0	112.6	N56 I61 Q62	N56-N58 VanDerWaalsContact C-N 3.33Å; N56-N58 PolarHBondContact O-N 3.44Å; N56-N58 PolarHBondContact OD1-N 2.96Å; N58-I61 PolarHBondContact O-N 3.25Å; N58-Q62 VanDerWaalsContact O-CB 3.26Å; N58-Q62 WeakPolarHBondContact O-CB 3.29Å; N58-Q62 PolarHBondContact O-N 2.98Å
59	K	95.7	Very high	93.1	Very high	111 Å²	111	69.4 Å²	69.4	48%	0.483	34%	0.34	S	S	.	.	H	α-helix	trans	-64.5	-38.9	175.8	-74.9	178	-177.6	-179.4	0	112	M55 N56 W57 K63	M55-K59 HydrophobicContact CE-CB 4.44Å; M55-K59 HydrophobicContact CG-CB 4.1Å; N56-K59 PolarHBondContact O-N 3.3Å; N56-K59 WeakPolarHBondContact OD1-CB 3.37Å; N56-K59 VanDerWaalsContact OD1-CG 3.29Å; N56-K59 WeakPolarHBondContact OD1-CG 3.43Å; N56-K59 PolarHBondContact OD1-N 3.42Å; W57-K59 PolarHBondContact O-N 3.13Å; K59-K63 WeakPolarHBondContact O-CB 3.49Å; K59-K63 PolarHBondContact O-N 3.01Å
60	L	95.8	Very high	93.2	Very high	1 Å²	1	72.2 Å²	72.2	1%	0.005	36%	0.356	C	S	.	.	H	α-helix	trans	-63.6	-50.7	176.5	176	61.8	0	0	0	110.7	F32 F52 M55 N56 W57 Q62 K63 L64 L77 V91 I94	F32-L60 HydrophobicContact CE1-CD1 4.01Å; F32-L60 HydrophobicContact CE1-CD2 4.43Å; F32-L60 HydrophobicContact CE2-CD1 4.26Å; F32-L60 HydrophobicContact CZ-CD1 3.61Å; F32-L60 HydrophobicContact CZ-CD2 4.45Å; F52-L60 HydrophobicContact CE2-CD2 4.44Å; M55-L60 HydrophobicContact CG-CB 4Å; M55-L60 HydrophobicContact SD-CB 3.88Å; M55-L60 HydrophobicContact SD-CD1 3.86Å; M55-L60 HydrophobicContact SD-CG 4.47Å; N56-L60 PolarHBondContact O-N 3.3Å; W57-L60 HydrophobicContact CE3-CD2 4.21Å; W57-L60 HydrophobicContact CZ3-CD2 4.11Å; W57-L60 WeakPolarHBondContact O-CB 3.49Å; W57-L60 PolarHBondContact O-N 3.45Å; W57-L60 VanDerWaalsContact O-N 3.13Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; L60-Q62 PolarHBondContact O-N 3.44Å; L60-K63 WeakPolarHBondContact O-CB 3.4Å; L60-K63 PolarHBondContact O-N 3.31Å; L60-K63 VanDerWaalsContact O-N 3.13Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.17Å; L60-L77 HydrophobicContact CD2-CD2 3.99Å; L60-V91 HydrophobicContact CD2-CG1 4.4Å; L60-I94 HydrophobicContact CD2-CD1 3.7Å
61	I	96.1	Very high	93.2	Very high	34 Å²	34	73.7 Å²	73.7	17%	0.174	35%	0.354	C	S	.	.	H	α-helix	trans	-61.9	-42.4	178.7	-63.6	-55.9	0	0	0	111	W57 N58 K63 L64 H65 F75 L77	W57-I61 HydrophobicContact CD2-CG1 4.2Å; W57-I61 HydrophobicContact CG-CG1 4.42Å; W57-I61 HydrophobicContact CH2-CD1 4.27Å; W57-I61 HydrophobicContact CZ2-CD1 3.78Å; W57-I61 HydrophobicContact CZ2-CG1 4.17Å; W57-I61 WeakPolarHBondContact O-CG1 3.39Å; W57-I61 PolarHBondContact O-N 3.12Å; N58-I61 PolarHBondContact O-N 3.25Å; I61-K63 VanDerWaalsContact C-N 3.33Å; I61-K63 PolarHBondContact O-N 3.09Å; I61-L64 HydrophobicContact CD1-CD1 4.33Å; I61-L64 PolarHBondContact O-N 2.93Å; I61-H65 PolarHBondContact O-CD2 3.05Å; I61-H65 VanDerWaalsContact O-CD2 3.25Å; I61-H65 PolarHBondContact O-N 3.17Å; I61-F75 HydrophobicContact CD1-CD2 4.49Å; I61-F75 HydrophobicContact CG2-CD2 4.41Å; I61-L77 HydrophobicContact CD1-CD1 4.34Å
62	Q	95.6	Very high	93.3	Very high	114 Å²	114	69.2 Å²	69.2	53%	0.533	33%	0.33	S	S	.	.	H	α-helix	trans	-59.6	-42.5	173.4	-175.6	177.4	1.7	0	0	111.7	N58 L60 L64 H65 E66	N58-Q62 VanDerWaalsContact O-CB 3.26Å; N58-Q62 WeakPolarHBondContact O-CB 3.29Å; N58-Q62 PolarHBondContact O-N 2.98Å; L60-Q62 VanDerWaalsContact C-N 3.34Å; L60-Q62 PolarHBondContact O-N 3.44Å; Q62-L64 VanDerWaalsContact C-N 3.33Å; Q62-L64 PolarHBondContact O-N 3.4Å; Q62-H65 WeakPolarHBondContact O-CB 3.39Å; Q62-H65 PolarHBondContact O-N 3.33Å; Q62-E66 WeakPolarHBondContact O-CG 3.46Å; Q62-E66 PolarHBondContact O-N 3.35Å
63	K	95.7	Very high	93.3	Very high	70 Å²	70	70.3 Å²	70.3	30%	0.304	34%	0.339	S	S	.	.	H	α-helix	trans	-60.9	-42	176.1	-163.3	75.7	-156.4	156.8	0	112.1	Y45 M55 K59 L60 I61 H65 E66 I67	Y45-K63 HydrophobicContact CE1-CG 4.27Å; M55-K63 HydrophobicContact CE-CB 4.46Å; K59-K63 WeakPolarHBondContact O-CB 3.49Å; K59-K63 PolarHBondContact O-N 3.01Å; L60-K63 WeakPolarHBondContact O-CB 3.4Å; L60-K63 PolarHBondContact O-N 3.31Å; L60-K63 VanDerWaalsContact O-N 3.13Å; I61-K63 VanDerWaalsContact C-N 3.33Å; I61-K63 PolarHBondContact O-N 3.09Å; K63-H65 VanDerWaalsContact C-N 3.33Å; K63-E66 IonicContact NZ-OE2 3.87Å; K63-E66 PolarHBondContact NZ-OE2 3.07Å; K63-E66 WeakPolarHBondContact O-CB 3.48Å; K63-E66 PolarHBondContact O-N 3Å; K63-I67 HydrophobicContact CG-CD1 4.01Å; K63-I67 WeakPolarHBondContact O-CD1 3.38Å; K63-I67 VanDerWaalsContact O-CG1 3.25Å; K63-I67 WeakPolarHBondContact O-CG1 3.46Å; K63-I67 PolarHBondContact O-N 3.13Å
64	L	95.9	Very high	93.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.3	-39.6	175.8	-66.4	176.1	0	0	0	111.5	F32 I34 L60 I61 Q62 I67 T68 F75 L77 V116	F32-L64 HydrophobicContact CD1-CD2 4.49Å; F32-L64 HydrophobicContact CG-CD2 4.48Å; I34-L64 HydrophobicContact CD1-CD2 3.84Å; I34-L64 HydrophobicContact CG1-CD2 4.31Å; L60-L64 WeakPolarHBondContact O-CG 3.43Å; L60-L64 PolarHBondContact O-N 3.17Å; I61-L64 HydrophobicContact CD1-CD1 4.33Å; I61-L64 PolarHBondContact O-N 2.93Å; Q62-L64 VanDerWaalsContact C-N 3.33Å; Q62-L64 PolarHBondContact O-N 3.4Å; L64-I67 PolarHBondContact O-N 2.95Å; L64-T68 WeakPolarHBondContact O-CB 3.21Å; L64-T68 WeakPolarHBondContact O-CG2 3.49Å; L64-T68 PolarHBondContact O-N 2.87Å; L64-T68 PolarHBondContact O-OG1 3.22Å; L64-F75 HydrophobicContact CB-CD2 3.78Å; L64-F75 HydrophobicContact CB-CE1 4.26Å; L64-F75 HydrophobicContact CB-CE2 3.47Å; L64-F75 VanDerWaalsContact CB-CE2 3.47Å; L64-F75 HydrophobicContact CB-CG 4.29Å; L64-F75 HydrophobicContact CB-CZ 3.74Å; L64-F75 HydrophobicContact CD1-CB 4.31Å; L64-F75 HydrophobicContact CD1-CD2 4.03Å; L64-F75 HydrophobicContact CD1-CG 4.07Å; L64-L77 HydrophobicContact CD1-CD1 3.96Å; L64-L77 HydrophobicContact CD1-CD2 4.3Å; L64-V116 HydrophobicContact CD1-CG1 4.19Å
65	H	95.5	Very high	94	Very high	35 Å²	35	57.2 Å²	57.2	16%	0.162	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-42	172.1	-82.3	-60	0	0	0	112.6	I61 Q62 K63 T68 H69 N70 F72 F75	I61-H65 PolarHBondContact O-CD2 3.05Å; I61-H65 VanDerWaalsContact O-CD2 3.25Å; I61-H65 PolarHBondContact O-N 3.17Å; Q62-H65 WeakPolarHBondContact O-CB 3.39Å; Q62-H65 PolarHBondContact O-N 3.33Å; K63-H65 VanDerWaalsContact C-N 3.33Å; H65-T68 CarbonylContact O-C 3.58Å; H65-T68 PolarHBondContact O-N 3.01Å; H65-T68 PolarHBondContact O-OG1 3.14Å; H65-H69 PolarHBondContact O-N 2.95Å; H65-H69 VanDerWaalsContact O-N 3.09Å; H65-N70 WeakPolarHBondContact CB-OD1 3.3Å; H65-N70 PolarHBondContact O-N 2.99Å; H65-F72 PolarHBondContact CE1-O 2.91Å; H65-F72 VanDerWaalsContact CE1-O 3.24Å; H65-F72 PolarHBondContact ND1-O 3.08Å; H65-F75 HydrophobicContact CB-CE2 4.46Å; H65-F75 AromaticContact CD2-CE2 3.72Å; H65-F75 AromaticContact CE1-CE2 3.6Å; H65-F75 AromaticContact CG-CE2 3.7Å; H65-F75 AromaticContact ND1-CE2 3.63Å; H65-F75 AromaticContact ND1-CZ 3.87Å; H65-F75 AromaticContact NE2-CE2 3.65Å
66	E	95.4	Very high	94.1	Very high	88 Å²	88	57.3 Å²	57.3	41%	0.411	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-49	174.8	-73.1	170.5	-167.1	0	0	111.8	Q62 K63 T68 H69	Q62-E66 WeakPolarHBondContact O-CG 3.46Å; Q62-E66 PolarHBondContact O-N 3.35Å; K63-E66 IonicContact NZ-OE2 3.87Å; K63-E66 PolarHBondContact NZ-OE2 3.07Å; K63-E66 WeakPolarHBondContact O-CB 3.48Å; K63-E66 PolarHBondContact O-N 3Å; E66-T68 PolarHBondContact O-N 2.8Å; E66-H69 PolarHBondContact O-N 3.36Å; E66-H69 VanDerWaalsContact O-N 3.15Å
67	I	93.8	Very high	94.3	Very high	39 Å²	39	53.9 Å²	53.9	20%	0.2	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-34.7	-179.5	-68.3	158.9	0	0	0	111.5	I34 I43 Y45 K63 L64 H69	I34-I67 HydrophobicContact CD1-CG2 3.96Å; I43-I67 HydrophobicContact CG2-CG2 4.11Å; Y45-I67 HydrophobicContact CD1-CD1 3.44Å; Y45-I67 VanDerWaalsContact CD1-CD1 3.44Å; Y45-I67 HydrophobicContact CD2-CD1 3.55Å; Y45-I67 HydrophobicContact CD2-CG1 4.38Å; Y45-I67 HydrophobicContact CE1-CD1 3.68Å; Y45-I67 HydrophobicContact CE2-CD1 3.79Å; Y45-I67 HydrophobicContact CG-CD1 3.37Å; K63-I67 HydrophobicContact CG-CD1 4.01Å; K63-I67 WeakPolarHBondContact O-CD1 3.38Å; K63-I67 VanDerWaalsContact O-CG1 3.25Å; K63-I67 WeakPolarHBondContact O-CG1 3.46Å; K63-I67 PolarHBondContact O-N 3.13Å; L64-I67 PolarHBondContact O-N 2.95Å; I67-H69 VanDerWaalsContact C-N 3.33Å
68	T	92.3	Very high	94.3	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.012	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	13.3	-179.4	59.1	0	0	0	0	113.1	I34 L64 H65 E66 N70 Q71 F72 F75	I34-T68 HydrophobicContact CD1-CG2 4.31Å; I34-T68 HydrophobicContact CG2-CG2 3.85Å; L64-T68 WeakPolarHBondContact O-CB 3.21Å; L64-T68 WeakPolarHBondContact O-CG2 3.49Å; L64-T68 PolarHBondContact O-N 2.87Å; L64-T68 PolarHBondContact O-OG1 3.22Å; H65-T68 CarbonylContact O-C 3.58Å; H65-T68 PolarHBondContact O-N 3.01Å; H65-T68 PolarHBondContact O-OG1 3.14Å; E66-T68 PolarHBondContact O-N 2.8Å; T68-N70 PolarHBondContact O-N 2.93Å; T68-N70 VanDerWaalsContact O-N 3.14Å; T68-Q71 WeakPolarHBondContact O-CB 3.37Å; T68-Q71 WeakPolarHBondContact O-CG 3.26Å; T68-Q71 PolarHBondContact O-N 3.37Å; T68-F72 HydrophobicContact CG2-CD2 3.79Å; T68-F72 HydrophobicContact CG2-CE2 3.7Å; T68-F75 HydrophobicContact CG2-CE1 4.07Å; T68-F75 HydrophobicContact CG2-CZ 4.29Å; T68-F75 WeakPolarHBondContact OG1-CZ 3.26Å
69	H	92.2	Very high	94.3	Very high	147 Å²	147	47 Å²	47	68%	0.681	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	38.2	-179.2	-55.4	-67.9	0	0	0	113.7	H65 E66 I67 Q71	H65-H69 PolarHBondContact O-N 2.95Å; H65-H69 VanDerWaalsContact O-N 3.09Å; E66-H69 PolarHBondContact O-N 3.36Å; E66-H69 VanDerWaalsContact O-N 3.15Å; I67-H69 VanDerWaalsContact C-N 3.33Å; H69-Q71 PolarHBondContact O-N 2.79Å; H69-Q71 VanDerWaalsContact O-N 3.1Å
70	N	91.3	Very high	94	Very high	92 Å²	92	46.2 Å²	46.2	49%	0.492	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	26.1	-176.8	-60.3	-59.8	0	0	0	113.8	H65 T68 F72 K121	H65-N70 WeakPolarHBondContact CB-OD1 3.3Å; H65-N70 PolarHBondContact O-N 2.99Å; T68-N70 PolarHBondContact O-N 2.93Å; T68-N70 VanDerWaalsContact O-N 3.14Å; N70-F72 PolarHBondContact O-N 3.13Å; N70-K121 WeakPolarHBondContact O-CE 3.32Å; N70-K121 PolarHBondContact O-NZ 2.75Å
71	Q	90.2	Very high	93.5	Very high	106 Å²	106	47.9 Å²	47.9	50%	0.495	24%	0.237	S	C	.	.			trans	-69.4	-24.5	-178.2	-70.9	174.4	8.1	0	0	112.9	T68 H69	T68-Q71 WeakPolarHBondContact O-CB 3.37Å; T68-Q71 WeakPolarHBondContact O-CG 3.26Å; T68-Q71 PolarHBondContact O-N 3.37Å; H69-Q71 PolarHBondContact O-N 2.79Å; H69-Q71 VanDerWaalsContact O-N 3.1Å
72	F	91.3	Very high	92.8	Very high	12 Å²	12	49.1 Å²	49.1	5%	0.053	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	155.6	-173.8	-53.9	-62.1	0	0	0	112.3	N36 H65 T68 N70 F75 S118 L119	N36-F72 HydrophobicContact CB-CE1 4.37Å; N36-F72 HydrophobicContact CB-CZ 3.77Å; N36-F72 VanDerWaalsContact OD1-CE1 3.31Å; N36-F72 WeakPolarHBondContact OD1-CE1 3.43Å; N36-F72 WeakPolarHBondContact OD1-CZ 3.43Å; H65-F72 PolarHBondContact CE1-O 2.91Å; H65-F72 VanDerWaalsContact CE1-O 3.24Å; H65-F72 PolarHBondContact ND1-O 3.08Å; T68-F72 HydrophobicContact CG2-CD2 3.79Å; T68-F72 HydrophobicContact CG2-CE2 3.7Å; N70-F72 PolarHBondContact O-N 3.13Å; F72-F75 HydrophobicContact CB-CE1 4.12Å; F72-F75 HydrophobicContact CB-CZ 4.31Å; F72-F75 AromaticContact CD2-CE1 3.85Å; F72-F75 HydrophobicContact CD2-CE1 3.85Å; F72-F75 HydrophobicContact CD2-CZ 4.36Å; F72-F75 HydrophobicContact CG-CE1 4.36Å; F72-S118 VanDerWaalsContact CD1-CB 3.46Å; F72-S118 WeakPolarHBondContact CD2-OG 3.19Å; F72-S118 WeakPolarHBondContact CE2-OG 3.47Å; F72-S118 VanDerWaalsContact CG-CB 3.41Å; F72-L119 WeakPolarHBondContact CA-O 3.18Å; F72-L119 VanDerWaalsContact CB-O 3.32Å; F72-L119 WeakPolarHBondContact CB-O 3.45Å
73	S	91.6	Very high	92.2	Very high	30 Å²	30	51.5 Å²	51.5	21%	0.21	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-21.7	176.7	59	0	0	0	0	112.9	L119 P120	S73-L119 PolarHBondContact N-O 3.43Å; S73-L119 PolarHBondContact OG-O 3.48Å; S73-P120 PolarHBondContact OG-O 3.39Å
74	G	93.1	Very high	91.8	Very high	8 Å²	8	54.2 Å²	54.2	8%	0.082	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.1	-173.3	179.6	0	0	0	0	0	111.5	L119	G74-L119 WeakPolarHBondContact O-CB 3.26Å; G74-L119 PolarHBondContact O-N 3.19Å
75	F	95.5	Very high	91.4	Very high	21 Å²	21	59.5 Å²	59.5	9%	0.092	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.1	-174.1	-54.3	-77.7	0	0	0	110.7	I61 L64 H65 T68 F72 L77 V116	I61-F75 HydrophobicContact CD1-CD2 4.49Å; I61-F75 HydrophobicContact CG2-CD2 4.41Å; L64-F75 HydrophobicContact CB-CD2 3.78Å; L64-F75 HydrophobicContact CB-CE1 4.26Å; L64-F75 HydrophobicContact CB-CE2 3.47Å; L64-F75 VanDerWaalsContact CB-CE2 3.47Å; L64-F75 HydrophobicContact CB-CG 4.29Å; L64-F75 HydrophobicContact CB-CZ 3.74Å; L64-F75 HydrophobicContact CD1-CB 4.31Å; L64-F75 HydrophobicContact CD1-CD2 4.03Å; L64-F75 HydrophobicContact CD1-CG 4.07Å; H65-F75 HydrophobicContact CB-CE2 4.46Å; H65-F75 AromaticContact CD2-CE2 3.72Å; H65-F75 AromaticContact CE1-CE2 3.6Å; H65-F75 AromaticContact CG-CE2 3.7Å; H65-F75 AromaticContact ND1-CE2 3.63Å; H65-F75 AromaticContact ND1-CZ 3.87Å; H65-F75 AromaticContact NE2-CE2 3.65Å; T68-F75 HydrophobicContact CG2-CE1 4.07Å; T68-F75 HydrophobicContact CG2-CZ 4.29Å; T68-F75 WeakPolarHBondContact OG1-CZ 3.26Å; F72-F75 HydrophobicContact CB-CE1 4.12Å; F72-F75 HydrophobicContact CB-CZ 4.31Å; F72-F75 AromaticContact CD2-CE1 3.85Å; F72-F75 HydrophobicContact CD2-CE1 3.85Å; F72-F75 HydrophobicContact CD2-CZ 4.36Å; F72-F75 HydrophobicContact CG-CE1 4.36Å; F75-L77 HydrophobicContact CB-CD1 3.59Å; F75-V116 HydrophobicContact CB-CG1 3.78Å; F75-V116 HydrophobicContact CD1-CG1 3.74Å; F75-V116 HydrophobicContact CG-CG1 4.05Å
76	I	95	Very high	91.2	Very high	36 Å²	36	59.7 Å²	59.7	19%	0.185	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.2	167.4	-60	168.1	0	0	0	107.1	T78 V116 N117 L119 I166	I76-T78 HydrophobicContact CG2-CG2 4.25Å; I76-V116 CarbonylContact O-C 3.56Å; I76-V116 WeakPolarHBondContact O-CA 3.42Å; I76-N117 HydrophobicContact CB-CB 4.38Å; I76-N117 PolarHBondContact N-O 2.97Å; I76-N117 PolarHBondContact O-N 3.47Å; I76-L119 HydrophobicContact CD1-CD2 3.8Å; I76-L119 HydrophobicContact CD1-CG 4.42Å; I76-L119 HydrophobicContact CG1-CD1 4.23Å; I76-L119 HydrophobicContact CG1-CD2 4.25Å; I76-L119 HydrophobicContact CG1-CG 4.34Å; I76-I166 HydrophobicContact CD1-CG2 3.4Å
77	L	97.8	Very high	91.2	Very high	2 Å²	2	61 Å²	61	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130	-179.4	-77.6	67.5	0	0	0	108.6	F32 W57 L60 I61 L64 F75 I88 V114 K115 V116	F32-L77 HydrophobicContact CD1-CD2 4.49Å; F32-L77 HydrophobicContact CE1-CD2 4.06Å; W57-L77 HydrophobicContact CH2-CD2 4.14Å; W57-L77 HydrophobicContact CZ3-CD2 4.26Å; L60-L77 HydrophobicContact CD2-CD2 3.99Å; I61-L77 HydrophobicContact CD1-CD1 4.34Å; L64-L77 HydrophobicContact CD1-CD1 3.96Å; L64-L77 HydrophobicContact CD1-CD2 4.3Å; F75-L77 HydrophobicContact CB-CD1 3.59Å; L77-I88 HydrophobicContact CB-CB 3.81Å; L77-I88 HydrophobicContact CB-CD1 4.33Å; L77-I88 HydrophobicContact CB-CG1 4.45Å; L77-I88 HydrophobicContact CB-CG2 4.37Å; L77-I88 PolarHBondContact O-N 2.83Å; L77-V114 HydrophobicContact CB-CG1 4.09Å; L77-V114 HydrophobicContact CD2-CG1 4.31Å; L77-V114 HydrophobicContact CG-CG1 4.16Å; L77-K115 CarbonylContact C-O 3.58Å; L77-K115 WeakPolarHBondContact CA-O 3.26Å; L77-V116 HydrophobicContact CD1-CG1 4Å; L77-V116 HydrophobicContact CG-CG1 4.36Å; L77-V116 HydrophobicContact CG-CG2 4.13Å
78	T	96.1	Very high	91.3	Very high	14 Å²	14	59.3 Å²	59.3	9%	0.086	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.8	173.8	63.9	0	0	0	0	110.7	I76 C86 I87 V114 K115	I76-T78 HydrophobicContact CG2-CG2 4.25Å; T78-C86 CarbonylContact C-O 3.56Å; T78-C86 WeakPolarHBondContact CA-O 3.39Å; T78-I87 HydrophobicContact CG2-CG1 4.28Å; T78-V114 CarbonylContact O-C 3.58Å; T78-V114 WeakPolarHBondContact O-CA 3.44Å; T78-K115 PolarHBondContact N-O 3.17Å; T78-K115 PolarHBondContact O-N 3.16Å
79	W	93.7	Very high	91.3	Very high	25 Å²	25	63.9 Å²	63.9	10%	0.095	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154.5	167.9	75.2	-69.4	0	0	0	109.6	D81 N85 C86 I88 A97 Y100 L101 L112	W79-D81 HydrophobicContact CH2-CB 3.58Å; W79-D81 HydrophobicContact CZ2-CB 4.02Å; W79-D81 HydrophobicContact CZ3-CB 3.89Å; W79-N85 CarbonylContact O-C 3.51Å; W79-N85 WeakPolarHBondContact O-CA 3.46Å; W79-C86 PolarHBondContact N-O 2.91Å; W79-C86 PolarHBondContact O-N 2.99Å; W79-I88 HydrophobicContact CB-CD1 4.16Å; W79-I88 HydrophobicContact CG-CD1 4.28Å; W79-A97 HydrophobicContact CD2-CB 3.61Å; W79-A97 HydrophobicContact CE3-CB 3.96Å; W79-A97 HydrophobicContact CG-CB 4.22Å; W79-A97 HydrophobicContact CH2-CB 3.87Å; W79-A97 HydrophobicContact CZ2-CB 3.5Å; W79-A97 VanDerWaalsContact CZ2-CB 3.5Å; W79-A97 HydrophobicContact CZ3-CB 4.08Å; W79-Y100 AromaticContact CH2-CD1 3.58Å; W79-Y100 HydrophobicContact CH2-CD1 3.58Å; W79-Y100 HydrophobicContact CH2-CE1 4.16Å; W79-Y100 HydrophobicContact CH2-CG 4.27Å; W79-Y100 HydrophobicContact CZ3-CD1 4.08Å; W79-L101 HydrophobicContact CE3-CD1 4.29Å; W79-L101 HydrophobicContact CZ3-CD1 4Å; W79-L101 HydrophobicContact CZ3-CD2 4.3Å; W79-L101 HydrophobicContact CZ3-CG 4.01Å; W79-L112 HydrophobicContact CB-CD1 4.23Å; W79-L112 HydrophobicContact CD2-CD1 4.11Å; W79-L112 HydrophobicContact CE3-CD1 3.72Å; W79-L112 HydrophobicContact CG-CD1 4.34Å; W79-L112 HydrophobicContact CZ3-CD1 4.46Å
80	D	90.3	Very high	91.3	Very high	95 Å²	95	59.4 Å²	59.4	51%	0.508	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	120.4	-179.2	-174.1	0.8	0	0	0	109.7	G82	D80-G82 VanDerWaalsContact C-N 3.27Å; D80-G82 WeakPolarHBondContact OD1-CA 3.45Å; D80-G82 PolarHBondContact OD1-N 3.47Å
81	D	84.3	Confident	91.5	Very high	36 Å²	36	55.9 Å²	55.9	19%	0.193	30%	0.304	C	S	.	.			trans	-86.3	1.1	176.3	75	-7.9	0	0	0	113.4	W79 F83 H84 Y100	W79-D81 HydrophobicContact CH2-CB 3.58Å; W79-D81 HydrophobicContact CZ2-CB 4.02Å; W79-D81 HydrophobicContact CZ3-CB 3.89Å; D81-F83 WeakPolarHBondContact OD1-CA 3.18Å; D81-F83 PolarHBondContact OD1-N 3.45Å; D81-H84 PolarHBondContact N-O 3.28Å; D81-H84 PolarHBondContact OD1-N 2.87Å; D81-Y100 HydrophobicContact CB-CE1 4.25Å
82	G	83.3	Confident	91.6	Very high	59 Å²	59	57.2 Å²	57.2	61%	0.608	31%	0.308	S	S	*	.	S	Bend	trans	99.9	-10.8	-174.1	0	0	0	0	0	113.7	D80	D80-G82 VanDerWaalsContact C-N 3.27Å; D80-G82 WeakPolarHBondContact OD1-CA 3.45Å; D80-G82 PolarHBondContact OD1-N 3.47Å
83	F	82.6	Confident	91.8	Very high	164 Å²	164	58.4 Å²	58.4	72%	0.719	32%	0.315	S	S	*	.	S	Bend	trans	-128.7	-39.3	-179.5	-61.2	-85.9	0	0	0	112.1	D81	D81-F83 WeakPolarHBondContact OD1-CA 3.18Å; D81-F83 PolarHBondContact OD1-N 3.45Å
84	H	85.8	Confident	91.9	Very high	128 Å²	128	57 Å²	57	59%	0.593	31%	0.305	S	S	*	.			trans	-136.5	147.1	-175	-50.5	93.8	0	0	0	111.6	D81 C86	D81-H84 PolarHBondContact N-O 3.28Å; D81-H84 PolarHBondContact OD1-N 2.87Å; H84-C86 PolarHBondContact O-N 3.13Å; H84-C86 VanDerWaalsContact O-N 3.15Å
85	N	87.8	Confident	91.8	Very high	110 Å²	110	60.1 Å²	60.1	59%	0.588	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	93.9	164.8	-74.7	-66.1	0	0	0	109.2	W79	W79-N85 CarbonylContact O-C 3.51Å; W79-N85 WeakPolarHBondContact O-CA 3.46Å
86	C	92.2	Very high	91.6	Very high	39 Å²	39	65.5 Å²	65.5	26%	0.264	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.7	177.6	-63.5	0	0	0	0	110.7	T78 W79 H84	T78-C86 CarbonylContact C-O 3.56Å; T78-C86 WeakPolarHBondContact CA-O 3.39Å; W79-C86 PolarHBondContact N-O 2.91Å; W79-C86 PolarHBondContact O-N 2.99Å; H84-C86 PolarHBondContact O-N 3.13Å; H84-C86 VanDerWaalsContact O-N 3.15Å
87	I	94.3	Very high	91.4	Very high	115 Å²	115	63.8 Å²	63.8	59%	0.59	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.8	173.7	-58.9	175	0	0	0	109.4	T78 T89	T78-I87 HydrophobicContact CG2-CG1 4.28Å; I87-T89 HydrophobicContact CG2-CG2 3.95Å
88	I	95.9	Very high	91.1	Very high	5 Å²	5	64.2 Å²	64.2	3%	0.026	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.3	176.5	-57.2	178.4	0	0	0	107.8	W57 L77 W79 D93 I94 V114	W57-I88 HydrophobicContact CH2-CG2 4.23Å; W57-I88 WeakPolarHBondContact CH2-O 3.4Å; W57-I88 HydrophobicContact CZ3-CG2 3.87Å; L77-I88 HydrophobicContact CB-CB 3.81Å; L77-I88 HydrophobicContact CB-CD1 4.33Å; L77-I88 HydrophobicContact CB-CG1 4.45Å; L77-I88 HydrophobicContact CB-CG2 4.37Å; L77-I88 PolarHBondContact O-N 2.83Å; W79-I88 HydrophobicContact CB-CD1 4.16Å; W79-I88 HydrophobicContact CG-CD1 4.28Å; I88-D93 HydrophobicContact CG2-CB 4.1Å; I88-I94 HydrophobicContact CD1-CG1 4.02Å; I88-I94 HydrophobicContact CG2-CD1 4.04Å; I88-I94 HydrophobicContact CG2-CG1 3.64Å; I88-V114 HydrophobicContact CD1-CG1 3.88Å; I88-V114 HydrophobicContact CD1-CG2 4.03Å
89	T	93.2	Very high	90.7	Very high	98 Å²	98	69 Å²	69	60%	0.601	36%	0.357	S	S	*	.			trans	-118	-19	-178.2	60.8	0	0	0	0	113.2	I87 D93	I87-T89 HydrophobicContact CG2-CG2 3.95Å; T89-D93 PolarHBondContact N-OD2 2.87Å; T89-D93 PolarHBondContact OG1-OD2 2.82Å
90	D	92.8	Very high	90.4	Very high	53 Å²	53	71 Å²	71	28%	0.283	37%	0.365	S	S	.	.	S	Bend	trans	-141.5	158.5	176.8	-165.8	-14	0	0	0	110	K92 D93	D90-K92 HydrophobicContact CB-CB 4.46Å; D90-K92 PolarHBondContact O-N 3.43Å; D90-D93 PolarHBondContact N-OD2 3.06Å; D90-D93 WeakPolarHBondContact O-CB 3.37Å; D90-D93 PolarHBondContact O-N 3.1Å
91	V	94.4	Very high	90.2	Very high	17 Å²	17	67.5 Å²	67.5	10%	0.103	35%	0.347	C	S	.	.	H	α-helix	trans	-59.3	-24.4	171.3	-65.2	0	0	0	0	112.2	F52 W57 L60 D93 I94 I95	F52-V91 HydrophobicContact CE1-CB 4.43Å; F52-V91 HydrophobicContact CE2-CG1 4.21Å; F52-V91 HydrophobicContact CZ-CB 3.79Å; F52-V91 HydrophobicContact CZ-CG1 3.91Å; W57-V91 HydrophobicContact CE3-CG1 4.35Å; L60-V91 HydrophobicContact CD2-CG1 4.4Å; V91-D93 VanDerWaalsContact C-N 3.27Å; V91-D93 PolarHBondContact O-N 3.05Å; V91-I94 WeakPolarHBondContact O-CB 3.4Å; V91-I94 PolarHBondContact O-N 2.86Å; V91-I95 WeakPolarHBondContact O-CG1 3.43Å; V91-I95 PolarHBondContact O-N 3.19Å; V91-I95 VanDerWaalsContact O-N 3.09Å
92	K	93.3	Very high	90.2	Very high	134 Å²	134	68.6 Å²	68.6	58%	0.583	35%	0.35	S	S	*	.	H	α-helix	trans	-62.4	-33.8	173.1	-66.3	177.4	-175.7	168.1	0	112.6	D90 I94 I95 K96	D90-K92 HydrophobicContact CB-CB 4.46Å; D90-K92 PolarHBondContact O-N 3.43Å; K92-I94 VanDerWaalsContact C-N 3.32Å; K92-I95 PolarHBondContact O-N 2.77Å; K92-K96 WeakPolarHBondContact O-CG 3.35Å; K92-K96 PolarHBondContact O-N 2.99Å
93	D	93.9	Very high	90.2	Very high	37 Å²	37	69.9 Å²	69.9	20%	0.198	35%	0.35	C	S	.	.	H	α-helix	trans	-68.2	-37.3	177.8	-58.6	-32.6	0	0	0	110.4	I88 T89 D90 V91 K96 A97	I88-D93 HydrophobicContact CG2-CB 4.1Å; T89-D93 PolarHBondContact N-OD2 2.87Å; T89-D93 PolarHBondContact OG1-OD2 2.82Å; D90-D93 PolarHBondContact N-OD2 3.06Å; D90-D93 WeakPolarHBondContact O-CB 3.37Å; D90-D93 PolarHBondContact O-N 3.1Å; V91-D93 VanDerWaalsContact C-N 3.27Å; V91-D93 PolarHBondContact O-N 3.05Å; D93-K96 PolarHBondContact O-N 3.26Å; D93-A97 WeakPolarHBondContact O-CB 3.25Å; D93-A97 PolarHBondContact O-N 2.81Å
94	I	94.1	Very high	90	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.9	-44.1	173.2	-65.6	170.8	0	0	0	110.7	I30 F52 L60 I88 V91 K92 K96 A97 I98 L112	I30-I94 HydrophobicContact CD1-CG2 3.6Å; I30-I94 HydrophobicContact CG1-CG2 4.25Å; F52-I94 HydrophobicContact CD1-CG2 4.36Å; F52-I94 HydrophobicContact CE1-CB 3.99Å; F52-I94 HydrophobicContact CE1-CG2 3.53Å; F52-I94 HydrophobicContact CE2-CD1 3.9Å; F52-I94 HydrophobicContact CE2-CG2 4.26Å; F52-I94 HydrophobicContact CZ-CB 3.69Å; F52-I94 HydrophobicContact CZ-CD1 3.61Å; F52-I94 HydrophobicContact CZ-CG1 4.22Å; F52-I94 HydrophobicContact CZ-CG2 3.47Å; F52-I94 VanDerWaalsContact CZ-CG2 3.47Å; L60-I94 HydrophobicContact CD2-CD1 3.7Å; I88-I94 HydrophobicContact CD1-CG1 4.02Å; I88-I94 HydrophobicContact CG2-CD1 4.04Å; I88-I94 HydrophobicContact CG2-CG1 3.64Å; V91-I94 WeakPolarHBondContact O-CB 3.4Å; V91-I94 PolarHBondContact O-N 2.86Å; K92-I94 VanDerWaalsContact C-N 3.32Å; I94-K96 PolarHBondContact O-N 3.43Å; I94-A97 WeakPolarHBondContact O-CB 3.46Å; I94-A97 PolarHBondContact O-N 3.15Å; I94-I98 HydrophobicContact CG2-CD1 3.8Å; I94-I98 HydrophobicContact CG2-CG1 4.49Å; I94-I98 WeakPolarHBondContact O-CD1 3.41Å; I94-I98 VanDerWaalsContact O-CG1 3.26Å; I94-I98 WeakPolarHBondContact O-CG1 3.41Å; I94-I98 PolarHBondContact O-N 3.26Å; I94-L112 HydrophobicContact CG2-CD2 3.81Å
95	I	92.4	Very high	89.3	Confident	75 Å²	75	67.5 Å²	67.5	39%	0.385	34%	0.34	S	S	.	.	H	α-helix	trans	-60.3	-47.5	177.8	-65.3	168.9	0	0	0	110.3	F52 V91 K92 A97 I98 E99	F52-I95 HydrophobicContact CE1-CG1 4.15Å; V91-I95 WeakPolarHBondContact O-CG1 3.43Å; V91-I95 PolarHBondContact O-N 3.19Å; V91-I95 VanDerWaalsContact O-N 3.09Å; K92-I95 PolarHBondContact O-N 2.77Å; I95-A97 VanDerWaalsContact C-N 3.32Å; I95-A97 PolarHBondContact O-N 2.85Å; I95-I98 WeakPolarHBondContact O-CB 3.4Å; I95-I98 PolarHBondContact O-N 2.76Å; I95-E99 HydrophobicContact CG2-CG 4.44Å; I95-E99 WeakPolarHBondContact O-CG 3.47Å; I95-E99 PolarHBondContact O-N 2.83Å
96	K	91.1	Very high	88.1	Confident	134 Å²	134	67.7 Å²	67.7	58%	0.583	34%	0.34	S	S	*	.	H	α-helix	trans	-60.2	-40.4	176.6	-71.1	173.8	-178.1	173.7	0	112.5	K92 D93 I94 I98 E99 Y100	K92-K96 WeakPolarHBondContact O-CG 3.35Å; K92-K96 PolarHBondContact O-N 2.99Å; D93-K96 PolarHBondContact O-N 3.26Å; I94-K96 PolarHBondContact O-N 3.43Å; K96-I98 VanDerWaalsContact C-N 3.34Å; K96-E99 PolarHBondContact O-N 3.43Å; K96-Y100 WeakPolarHBondContact O-CB 3.32Å; K96-Y100 PolarHBondContact O-N 3Å
97	A	90.9	Very high	86.7	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-62	-42.5	176.2	0	0	0	0	0	111.8	W79 D93 I94 I95 Y100 L101 L112	W79-A97 HydrophobicContact CD2-CB 3.61Å; W79-A97 HydrophobicContact CE3-CB 3.96Å; W79-A97 HydrophobicContact CG-CB 4.22Å; W79-A97 HydrophobicContact CH2-CB 3.87Å; W79-A97 HydrophobicContact CZ2-CB 3.5Å; W79-A97 VanDerWaalsContact CZ2-CB 3.5Å; W79-A97 HydrophobicContact CZ3-CB 4.08Å; D93-A97 WeakPolarHBondContact O-CB 3.25Å; D93-A97 PolarHBondContact O-N 2.81Å; I94-A97 WeakPolarHBondContact O-CB 3.46Å; I94-A97 PolarHBondContact O-N 3.15Å; I95-A97 VanDerWaalsContact C-N 3.32Å; I95-A97 PolarHBondContact O-N 2.85Å; A97-Y100 PolarHBondContact O-N 3.2Å; A97-L101 WeakPolarHBondContact O-CG 3.36Å; A97-L101 PolarHBondContact O-N 2.84Å; A97-L112 HydrophobicContact CB-CD1 3.91Å; A97-L112 HydrophobicContact CB-CD2 4.05Å
98	I	90.1	Very high	85.4	Confident	10 Å²	10	69 Å²	69	5%	0.051	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-48	176	-68	160.8	0	0	0	110.7	M27 I30 L49 I94 I95 K96 Y100 L101 Q102 L112	M27-I98 HydrophobicContact CB-CG2 4.1Å; M27-I98 HydrophobicContact CG-CG2 4.27Å; M27-I98 HydrophobicContact SD-CB 4.06Å; M27-I98 HydrophobicContact SD-CG1 3.73Å; M27-I98 HydrophobicContact SD-CG2 3.83Å; I30-I98 HydrophobicContact CD1-CD1 4.25Å; I30-I98 HydrophobicContact CG1-CD1 4.23Å; L49-I98 HydrophobicContact CD1-CD1 3.53Å; L49-I98 HydrophobicContact CD2-CG2 4.29Å; I94-I98 HydrophobicContact CG2-CD1 3.8Å; I94-I98 HydrophobicContact CG2-CG1 4.49Å; I94-I98 WeakPolarHBondContact O-CD1 3.41Å; I94-I98 VanDerWaalsContact O-CG1 3.26Å; I94-I98 WeakPolarHBondContact O-CG1 3.41Å; I94-I98 PolarHBondContact O-N 3.26Å; I95-I98 WeakPolarHBondContact O-CB 3.4Å; I95-I98 PolarHBondContact O-N 2.76Å; K96-I98 VanDerWaalsContact C-N 3.34Å; I98-Y100 VanDerWaalsContact C-N 3.33Å; I98-Y100 PolarHBondContact O-N 2.84Å; I98-L101 PolarHBondContact O-N 2.78Å; I98-Q102 HydrophobicContact CG2-CG 4.38Å; I98-Q102 WeakPolarHBondContact O-CB 3.47Å; I98-Q102 VanDerWaalsContact O-CG 3.26Å; I98-Q102 WeakPolarHBondContact O-CG 3.42Å; I98-Q102 PolarHBondContact O-N 2.81Å; I98-L112 HydrophobicContact CG1-CB 4.32Å; I98-L112 HydrophobicContact CG1-CD2 4.15Å
99	E	88.5	Confident	84.7	Confident	115 Å²	115	71.1 Å²	71.1	54%	0.537	36%	0.358	S	S	.	.	H	α-helix	trans	-59.4	-44.4	177.7	-71.6	172.3	172.5	0	0	111.4	I95 K96 Q102 S103	I95-E99 HydrophobicContact CG2-CG 4.44Å; I95-E99 WeakPolarHBondContact O-CG 3.47Å; I95-E99 PolarHBondContact O-N 2.83Å; K96-E99 PolarHBondContact O-N 3.43Å; E99-Q102 PolarHBondContact O-N 3.25Å; E99-S103 WeakPolarHBondContact O-CB 3.4Å; E99-S103 PolarHBondContact O-N 2.77Å
100	Y	87.7	Confident	84.3	Confident	67 Å²	67	68.4 Å²	68.4	26%	0.263	34%	0.339	S	S	.	.	H	α-helix	trans	-58.6	-51.7	176.4	174.8	-100.4	0	0	0	111.6	W79 D81 K96 A97 I98 Q102 S103 K104	W79-Y100 AromaticContact CH2-CD1 3.58Å; W79-Y100 HydrophobicContact CH2-CD1 3.58Å; W79-Y100 HydrophobicContact CH2-CE1 4.16Å; W79-Y100 HydrophobicContact CH2-CG 4.27Å; W79-Y100 HydrophobicContact CZ3-CD1 4.08Å; D81-Y100 HydrophobicContact CB-CE1 4.25Å; K96-Y100 WeakPolarHBondContact O-CB 3.32Å; K96-Y100 PolarHBondContact O-N 3Å; A97-Y100 PolarHBondContact O-N 3.2Å; I98-Y100 VanDerWaalsContact C-N 3.33Å; I98-Y100 PolarHBondContact O-N 2.84Å; Y100-Q102 PolarHBondContact O-N 2.81Å; Y100-S103 WeakPolarHBondContact O-CB 3.44Å; Y100-S103 PolarHBondContact O-N 2.84Å; Y100-S103 VanDerWaalsContact O-N 3.12Å; Y100-S103 PolarHBondContact O-OG 2.68Å; Y100-K104 HydrophobicContact CD2-CG 4.48Å; Y100-K104 HydrophobicContact CE1-CG 4.21Å; Y100-K104 HydrophobicContact CE2-CD 4.44Å; Y100-K104 VanDerWaalsContact CE2-CE 3.46Å; Y100-K104 HydrophobicContact CE2-CG 4.1Å; Y100-K104 WeakPolarHBondContact O-CG 3.41Å; Y100-K104 PolarHBondContact O-N 3.02Å; Y100-K104 VanDerWaalsContact O-N 3.13Å
101	L	85.9	Confident	84.1	Confident	22 Å²	22	66.1 Å²	66.1	12%	0.115	33%	0.327	C	S	.	.	H	α-helix	trans	-65.7	-38.1	-178.1	-72.9	170.6	0	0	0	112.6	M27 W79 A97 I98 S103 K104 Q105 L107 L112	M27-L101 HydrophobicContact CE-CB 3.59Å; M27-L101 HydrophobicContact CE-CD1 3.26Å; M27-L101 HydrophobicContact CE-CG 4.05Å; W79-L101 HydrophobicContact CE3-CD1 4.29Å; W79-L101 HydrophobicContact CZ3-CD1 4Å; W79-L101 HydrophobicContact CZ3-CD2 4.3Å; W79-L101 HydrophobicContact CZ3-CG 4.01Å; A97-L101 WeakPolarHBondContact O-CG 3.36Å; A97-L101 PolarHBondContact O-N 2.84Å; I98-L101 PolarHBondContact O-N 2.78Å; L101-S103 VanDerWaalsContact C-N 3.3Å; L101-S103 PolarHBondContact O-N 3.03Å; L101-K104 PolarHBondContact O-N 3.12Å; L101-Q105 PolarHBondContact O-N 3.5Å; L101-L107 HydrophobicContact CB-CD2 4.43Å; L101-L112 HydrophobicContact CD1-CD1 3.49Å; L101-L112 VanDerWaalsContact CD1-CD1 3.49Å
102	Q	84.8	Confident	84	Confident	58 Å²	58	65.3 Å²	65.3	27%	0.271	32%	0.322	S	S	.	.	H	α-helix	trans	-61.9	-38.7	172.8	-73.3	178	-7.3	0	0	111.9	M27 I98 E99 Y100 K104	M27-Q102 HydrophobicContact CB-CG 4.47Å; M27-Q102 HydrophobicContact CG-CG 4.18Å; I98-Q102 HydrophobicContact CG2-CG 4.38Å; I98-Q102 WeakPolarHBondContact O-CB 3.47Å; I98-Q102 VanDerWaalsContact O-CG 3.26Å; I98-Q102 WeakPolarHBondContact O-CG 3.42Å; I98-Q102 PolarHBondContact O-N 2.81Å; E99-Q102 PolarHBondContact O-N 3.25Å; Y100-Q102 PolarHBondContact O-N 2.81Å; Q102-K104 VanDerWaalsContact C-N 3.32Å; Q102-K104 PolarHBondContact O-N 3.24Å
103	S	82.7	Confident	84	Confident	87 Å²	87	63 Å²	63	61%	0.608	31%	0.314	S	S	*	.	H	α-helix	trans	-67.8	-30.8	178.3	80.5	0	0	0	0	113.2	E99 Y100 L101	E99-S103 WeakPolarHBondContact O-CB 3.4Å; E99-S103 PolarHBondContact O-N 2.77Å; Y100-S103 WeakPolarHBondContact O-CB 3.44Å; Y100-S103 PolarHBondContact O-N 2.84Å; Y100-S103 VanDerWaalsContact O-N 3.12Å; Y100-S103 PolarHBondContact O-OG 2.68Å; L101-S103 VanDerWaalsContact C-N 3.3Å; L101-S103 PolarHBondContact O-N 3.03Å
104	K	78.5	Confident	84.1	Confident	110 Å²	110	61.3 Å²	61.3	48%	0.478	30%	0.304	S	S	.	.	H	α-helix	trans	-86.1	-11.9	-177.4	-66.3	-71.4	-174.8	176.3	0	113.9	Y100 L101 Q102 L106	Y100-K104 HydrophobicContact CD2-CG 4.48Å; Y100-K104 HydrophobicContact CE1-CG 4.21Å; Y100-K104 HydrophobicContact CE2-CD 4.44Å; Y100-K104 VanDerWaalsContact CE2-CE 3.46Å; Y100-K104 HydrophobicContact CE2-CG 4.1Å; Y100-K104 WeakPolarHBondContact O-CG 3.41Å; Y100-K104 PolarHBondContact O-N 3.02Å; Y100-K104 VanDerWaalsContact O-N 3.13Å; L101-K104 PolarHBondContact O-N 3.12Å; Q102-K104 VanDerWaalsContact C-N 3.32Å; Q102-K104 PolarHBondContact O-N 3.24Å; K104-L106 HydrophobicContact CB-CB 4.19Å; K104-L106 HydrophobicContact CB-CD1 3.53Å; K104-L106 HydrophobicContact CB-CG 3.67Å; K104-L106 HydrophobicContact CG-CD1 4.1Å; K104-L106 PolarHBondContact O-N 2.95Å; K104-L106 VanDerWaalsContact O-N 3.07Å
105	Q	70.8	Confident	84.2	Confident	132 Å²	132	65.6 Å²	65.6	62%	0.617	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	19.3	-172	-59.1	-179.6	11.3	0	0	113.9	L101 L107	L101-Q105 PolarHBondContact O-N 3.5Å; Q105-L107 PolarHBondContact O-N 3.25Å; Q105-L107 VanDerWaalsContact O-N 3.13Å
106	L	63.1	Low	84.4	Confident	113 Å²	113	62 Å²	62	59%	0.592	31%	0.305	S	S	*	.			trans	-85.2	72.5	-179.5	-67.5	169.1	0	0	0	109.5	K104	K104-L106 HydrophobicContact CB-CB 4.19Å; K104-L106 HydrophobicContact CB-CD1 3.53Å; K104-L106 HydrophobicContact CB-CG 3.67Å; K104-L106 HydrophobicContact CG-CD1 4.1Å; K104-L106 PolarHBondContact O-N 2.95Å; K104-L106 VanDerWaalsContact O-N 3.07Å
107	L	62	Low	84.5	Confident	11 Å²	11	58.3 Å²	58.3	6%	0.058	29%	0.291	C	S	.	.			trans	-139.9	107.5	-178.9	-70.6	169.1	0	0	0	113	K25 M27 L101 Q105	K25-L107 HydrophobicContact CD-CB 4.45Å; K25-L107 PolarHBondContact NZ-O 3.23Å; M27-L107 HydrophobicContact CE-CD1 4.27Å; M27-L107 HydrophobicContact CE-CD2 3.48Å; M27-L107 VanDerWaalsContact CE-CD2 3.48Å; M27-L107 HydrophobicContact CE-CG 4.49Å; M27-L107 HydrophobicContact CG-CD1 3.8Å; M27-L107 HydrophobicContact CG-CD2 4.48Å; L101-L107 HydrophobicContact CB-CD2 4.43Å; Q105-L107 PolarHBondContact O-N 3.25Å; Q105-L107 VanDerWaalsContact O-N 3.13Å
108	D	67.9	Low	84.6	Confident	170 Å²	170	58.6 Å²	58.6	91%	0.909	29%	0.293	S	S	*	.	S	Bend	trans	-74.7	-42	169.8	-71.3	-27.5	0	0	0	111.5
109	D	80.8	Confident	84.7	Confident	51 Å²	51	59.1 Å²	59.1	27%	0.273	30%	0.296	S	S	.	.	S	Bend	trans	-124.7	11.6	-172	80.9	-17.7	0	0	0	115.9	K31 C111 H113	K31-D109 IonicContact NZ-OD2 2.68Å; K31-D109 PolarHBondContact NZ-OD2 2.77Å; D109-C111 PolarHBondContact O-N 2.86Å; D109-C111 VanDerWaalsContact O-N 3.17Å; D109-C111 PolarHBondContact O-SG 3.43Å; D109-C111 WeakPolarHBondContact OD1-CB 3.41Å; D109-C111 PolarHBondContact OD1-N 2.8Å; D109-C111 VanDerWaalsContact OD1-N 3.16Å; D109-H113 VanDerWaalsContact CG-NE2 3.26Å; D109-H113 IonicContact OD1-CD2 3.97Å; D109-H113 IonicContact OD1-NE2 2.84Å; D109-H113 PolarHBondContact OD1-NE2 3.33Å; D109-H113 IonicContact OD2-CD2 3.55Å; D109-H113 IonicContact OD2-CE1 3.03Å; D109-H113 IonicContact OD2-NE2 2.77Å; D109-H113 PolarHBondContact OD2-NE2 2.79Å
110	N	84.8	Confident	84.6	Confident	41 Å²	41	57.5 Å²	57.5	22%	0.219	30%	0.295	C	S	.	.	S	Bend	trans	55.3	28.1	179.4	-54.7	-42.3	0	0	0	114.5	K25 M27 L28	K25-N110 WeakPolarHBondContact CD-OD1 3.39Å; M27-N110 WeakPolarHBondContact CA-O 3.23Å; L28-N110 HydrophobicContact CG-CB 4.38Å; L28-N110 PolarHBondContact N-O 3.45Å
111	C	89	Confident	84.4	Confident	4 Å²	4	59.8 Å²	59.8	3%	0.027	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.4	178.9	-61.1	0	0	0	0	111.8	M27 A29 K31 D109 H113	M27-C111 VanDerWaalsContact CE-C 3.48Å; A29-C111 WeakPolarHBondContact O-CA 3.41Å; K31-C111 HydrophobicContact CD-CB 3.98Å; K31-C111 HydrophobicContact CG-CB 3.98Å; D109-C111 PolarHBondContact O-N 2.86Å; D109-C111 VanDerWaalsContact O-N 3.17Å; D109-C111 PolarHBondContact O-SG 3.43Å; D109-C111 WeakPolarHBondContact OD1-CB 3.41Å; D109-C111 PolarHBondContact OD1-N 2.8Å; D109-C111 VanDerWaalsContact OD1-N 3.16Å; C111-H113 PolarHBondContact O-CD2 3.1Å
112	L	91.5	Very high	83.6	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	125.7	160.7	175.5	68.6	0	0	0	108	M27 A29 I30 K31 W79 I94 A97 I98 L101 V114	M27-L112 HydrophobicContact CE-CB 3.83Å; M27-L112 VanDerWaalsContact CE-N 3.34Å; M27-L112 HydrophobicContact SD-CB 3.87Å; A29-L112 PolarHBondContact O-N 2.97Å; A29-L112 VanDerWaalsContact O-N 3.08Å; I30-L112 CarbonylContact C-O 3.58Å; I30-L112 WeakPolarHBondContact CA-O 3.47Å; I30-L112 HydrophobicContact CG1-CB 4.36Å; I30-L112 HydrophobicContact CG2-CB 4.34Å; I30-L112 HydrophobicContact CG2-CD2 4.23Å; I30-L112 HydrophobicContact CG2-CG 4.47Å; K31-L112 PolarHBondContact N-O 3.27Å; W79-L112 HydrophobicContact CB-CD1 4.23Å; W79-L112 HydrophobicContact CD2-CD1 4.11Å; W79-L112 HydrophobicContact CE3-CD1 3.72Å; W79-L112 HydrophobicContact CG-CD1 4.34Å; W79-L112 HydrophobicContact CZ3-CD1 4.46Å; I94-L112 HydrophobicContact CG2-CD2 3.81Å; A97-L112 HydrophobicContact CB-CD1 3.91Å; A97-L112 HydrophobicContact CB-CD2 4.05Å; I98-L112 HydrophobicContact CG1-CB 4.32Å; I98-L112 HydrophobicContact CG1-CD2 4.15Å; L101-L112 HydrophobicContact CD1-CD1 3.49Å; L101-L112 VanDerWaalsContact CD1-CD1 3.49Å; L112-V114 HydrophobicContact CD2-CG2 3.77Å; L112-V114 HydrophobicContact CG-CG2 3.87Å
113	H	93.5	Very high	82	Confident	86 Å²	86	65.1 Å²	65.1	40%	0.398	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.6	176.4	-69.8	-159.5	0	0	0	108.6	F33 D109 C111	F33-H113 HydrophobicContact CD2-CB 4.46Å; F33-H113 HydrophobicContact CE2-CB 3.83Å; F33-H113 AromaticContact CE2-CG 3.73Å; F33-H113 AromaticContact CE2-ND1 3.78Å; D109-H113 VanDerWaalsContact CG-NE2 3.26Å; D109-H113 IonicContact OD1-CD2 3.97Å; D109-H113 IonicContact OD1-NE2 2.84Å; D109-H113 PolarHBondContact OD1-NE2 3.33Å; D109-H113 IonicContact OD2-CD2 3.55Å; D109-H113 IonicContact OD2-CE1 3.03Å; D109-H113 IonicContact OD2-NE2 2.77Å; D109-H113 PolarHBondContact OD2-NE2 2.79Å; C111-H113 PolarHBondContact O-CD2 3.1Å
114	V	95.8	Very high	80.4	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	118.8	178.9	179	0	0	0	0	108.3	I30 K31 F32 F33 L77 T78 I88 L112 V116	I30-V114 HydrophobicContact CG2-CB 4.46Å; I30-V114 HydrophobicContact CG2-CG2 3.65Å; K31-V114 PolarHBondContact O-N 3.09Å; F32-V114 CarbonylContact C-O 3.53Å; F32-V114 WeakPolarHBondContact CA-O 3.32Å; F32-V114 HydrophobicContact CD1-CB 3.83Å; F32-V114 HydrophobicContact CD1-CG1 3.8Å; F32-V114 HydrophobicContact CD1-CG2 4.45Å; F32-V114 HydrophobicContact CE1-CB 4.13Å; F32-V114 HydrophobicContact CE1-CG1 4.03Å; F32-V114 HydrophobicContact CE1-CG2 4.29Å; F33-V114 PolarHBondContact N-O 3.36Å; L77-V114 HydrophobicContact CB-CG1 4.09Å; L77-V114 HydrophobicContact CD2-CG1 4.31Å; L77-V114 HydrophobicContact CG-CG1 4.16Å; T78-V114 CarbonylContact O-C 3.58Å; T78-V114 WeakPolarHBondContact O-CA 3.44Å; I88-V114 HydrophobicContact CD1-CG1 3.88Å; I88-V114 HydrophobicContact CD1-CG2 4.03Å; L112-V114 HydrophobicContact CD2-CG2 3.77Å; L112-V114 HydrophobicContact CG-CG2 3.87Å; V114-V116 HydrophobicContact CG1-CG2 4.07Å
115	K	95.8	Very high	78.7	Confident	90 Å²	90	68 Å²	68	39%	0.391	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.4	169	176.4	166.4	-171.2	-177	0	108.9	Y35 L77 T78 N117	Y35-K115 HydrophobicContact CD2-CD 4.47Å; Y35-K115 HydrophobicContact CD2-CG 3.87Å; Y35-K115 HydrophobicContact CE2-CB 4.45Å; Y35-K115 HydrophobicContact CE2-CD 4.1Å; Y35-K115 HydrophobicContact CE2-CG 3.67Å; L77-K115 CarbonylContact C-O 3.58Å; L77-K115 WeakPolarHBondContact CA-O 3.26Å; T78-K115 PolarHBondContact N-O 3.17Å; T78-K115 PolarHBondContact O-N 3.16Å; K115-N117 VanDerWaalsContact CE-OD1 3.26Å; K115-N117 WeakPolarHBondContact CE-OD1 3.34Å
116	V	96.5	Very high	77.1	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	104.6	-179.5	-172.2	0	0	0	0	108	F32 F33 I34 Y35 L64 F75 I76 L77 V114	F32-V116 HydrophobicContact CB-CG2 3.95Å; F32-V116 HydrophobicContact CD1-CG2 3.79Å; F32-V116 HydrophobicContact CG-CG2 4.37Å; F33-V116 PolarHBondContact O-N 2.71Å; I34-V116 WeakPolarHBondContact CA-O 3.4Å; I34-V116 HydrophobicContact CB-CB 4.34Å; I34-V116 HydrophobicContact CG1-CB 4.03Å; I34-V116 HydrophobicContact CG1-CG1 4.35Å; I34-V116 HydrophobicContact CG1-CG2 4.24Å; I34-V116 HydrophobicContact CG2-CB 4.45Å; I34-V116 HydrophobicContact CG2-CG1 4.32Å; Y35-V116 PolarHBondContact N-O 3.02Å; L64-V116 HydrophobicContact CD1-CG1 4.19Å; F75-V116 HydrophobicContact CB-CG1 3.78Å; F75-V116 HydrophobicContact CD1-CG1 3.74Å; F75-V116 HydrophobicContact CG-CG1 4.05Å; I76-V116 CarbonylContact O-C 3.56Å; I76-V116 WeakPolarHBondContact O-CA 3.42Å; L77-V116 HydrophobicContact CD1-CG1 4Å; L77-V116 HydrophobicContact CG-CG1 4.36Å; L77-V116 HydrophobicContact CG-CG2 4.13Å; V114-V116 HydrophobicContact CG1-CG2 4.07Å
117	N	94.2	Very high	75.8	Confident	56 Å²	56	70.5 Å²	70.5	30%	0.299	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	118.2	173.3	-62.2	-41	0	0	0	108.7	I76 K115	I76-N117 HydrophobicContact CB-CB 4.38Å; I76-N117 PolarHBondContact N-O 2.97Å; I76-N117 PolarHBondContact O-N 3.47Å; K115-N117 VanDerWaalsContact CE-OD1 3.26Å; K115-N117 WeakPolarHBondContact CE-OD1 3.34Å
118	S	93.7	Very high	74.6	Confident	7 Å²	7	75.1 Å²	75.1	5%	0.049	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	136.2	179	-64.4	0	0	0	0	111.7	I34 Y35 F72	I34-S118 WeakPolarHBondContact CG2-OG 3.32Å; Y35-S118 VanDerWaalsContact O-CB 3.25Å; Y35-S118 WeakPolarHBondContact O-CB 2.91Å; Y35-S118 PolarHBondContact O-N 2.9Å; Y35-S118 VanDerWaalsContact O-N 3.14Å; Y35-S118 PolarHBondContact O-OG 3.15Å; F72-S118 VanDerWaalsContact CD1-CB 3.46Å; F72-S118 WeakPolarHBondContact CD2-OG 3.19Å; F72-S118 WeakPolarHBondContact CE2-OG 3.47Å; F72-S118 VanDerWaalsContact CG-CB 3.41Å
119	L	90.9	Very high	73.1	Confident	21 Å²	21	72.2 Å²	72.2	11%	0.11	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.5	175.8	-63.3	173.6	0	0	0	109.3	F72 S73 G74 I76 I168	F72-L119 WeakPolarHBondContact CA-O 3.18Å; F72-L119 VanDerWaalsContact CB-O 3.32Å; F72-L119 WeakPolarHBondContact CB-O 3.45Å; S73-L119 PolarHBondContact N-O 3.43Å; S73-L119 PolarHBondContact OG-O 3.48Å; G74-L119 WeakPolarHBondContact O-CB 3.26Å; G74-L119 PolarHBondContact O-N 3.19Å; I76-L119 HydrophobicContact CD1-CD2 3.8Å; I76-L119 HydrophobicContact CD1-CG 4.42Å; I76-L119 HydrophobicContact CG1-CD1 4.23Å; I76-L119 HydrophobicContact CG1-CD2 4.25Å; I76-L119 HydrophobicContact CG1-CG 4.34Å; L119-I168 HydrophobicContact CD1-CG1 4.48Å; L119-I168 HydrophobicContact CD1-CG2 4.23Å; L119-I168 HydrophobicContact CD2-CG1 4.48Å
120	P	86.4	Confident	70.9	Confident	80 Å²	80	75.1 Å²	75.1	52%	0.519	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	145.4	179	25.6	-32.7	0	0	0	109.6	S73 S122	S73-P120 PolarHBondContact OG-O 3.39Å; P120-S122 PolarHBondContact O-N 3.17Å
121	K	83.2	Confident	68.4	Low	116 Å²	116	79 Å²	79	50%	0.504	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-62	125.7	159.2	-70.6	-178.7	179.2	-179.2	0	105.7	N70 L123	N70-K121 WeakPolarHBondContact O-CE 3.32Å; N70-K121 PolarHBondContact O-NZ 2.75Å; K121-L123 PolarHBondContact O-N 3.02Å
122	S	69	Low	65.8	Low	72 Å²	72	86.5 Å²	86.5	50%	0.503	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-46.2	124.6	169	43.1	0	0	0	0	107	P120	P120-S122 PolarHBondContact O-N 3.17Å
123	L	52.1	Low	63.2	Low	120 Å²	120	91.1 Å²	91.1	63%	0.628	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-48.1	138.6	177.7	-83.4	95	0	0	0	107.7	K121 N125	K121-L123 PolarHBondContact O-N 3.02Å; L123-N125 PolarHBondContact O-N 3.18Å
124	P	48.7	Very low	60.5	Low	110 Å²	110	92.6 Å²	92.6	71%	0.714	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-50.9	126.2	164.2	23.2	-30.6	0	0	0	106.2	Q126	P124-Q126 PolarHBondContact O-N 2.74Å
125	N	43.8	Very low	57.7	Low	146 Å²	146	101.8 Å²	101.8	78%	0.781	57%	0.574	S	S	*	*			trans	-42.7	100.5	-178.2	-70.5	-30.5	0	0	0	109.1	L123 N127	L123-N125 PolarHBondContact O-N 3.18Å; N125-N127 PolarHBondContact O-N 2.88Å
126	Q	35.4	Very low	55	Low	153 Å²	153	102 Å²	102	72%	0.715	59%	0.593	S	S	*	*	S	Bend	trans	-74.3	27.3	176.2	-82.8	-166.2	31.6	0	0	111.7	P124	P124-Q126 PolarHBondContact O-N 2.74Å
127	N	37.8	Very low	52.2	Low	146 Å²	146	109.4 Å²	109.4	78%	0.781	63%	0.631	S	S	*	*			trans	-121.2	48.3	177.9	-65.3	1.5	0	0	0	109.9	N125	N125-N127 PolarHBondContact O-N 2.88Å
128	V	36.3	Very low	49.8	Very low	108 Å²	108	113.5 Å²	113.5	66%	0.655	65%	0.653	S	S	*	*			trans	-135.4	52.4	155.3	-163.6	0	0	0	0	108.2	T130	V128-T130 HydrophobicContact CG1-CG2 4.04Å; V128-T130 PolarHBondContact O-N 2.85Å; V128-T130 VanDerWaalsContact O-N 3.14Å
129	S	36.3	Very low	47.5	Very low	109 Å²	109	122.2 Å²	122.2	76%	0.762	69%	0.693	S	S	*	*			trans	-70	95.5	141.6	-69.9	0	0	0	0	104.8	T131	S129-T131 PolarHBondContact O-N 2.82Å
130	T	33.5	Very low	45.6	Very low	112 Å²	112	127.3 Å²	127.3	69%	0.687	73%	0.725	S	S	*	*			trans	-52.5	81.3	169.6	15.7	0	0	0	0	109.8	V128 N132	V128-T130 HydrophobicContact CG1-CG2 4.04Å; V128-T130 PolarHBondContact O-N 2.85Å; V128-T130 VanDerWaalsContact O-N 3.14Å; T130-N132 PolarHBondContact O-N 2.89Å
131	T	33.8	Very low	44	Very low	123 Å²	123	130 Å²	130	76%	0.755	73%	0.73	S	S	*	*			trans	-79.6	105	148.7	41.2	0	0	0	0	105.3	S129 S133	S129-T131 PolarHBondContact O-N 2.82Å; T131-S133 VanDerWaalsContact C-N 3.34Å; T131-S133 PolarHBondContact O-N 2.8Å
132	N	34.1	Very low	42.6	Very low	160 Å²	160	129.7 Å²	129.7	86%	0.856	73%	0.734	S	S	*	*			trans	-45.4	96.4	173.8	-68.3	-32	0	0	0	110.2	T130	T130-N132 PolarHBondContact O-N 2.89Å
133	S	36.3	Very low	41.6	Very low	98 Å²	98	130.7 Å²	130.7	69%	0.685	74%	0.738	S	S	*	*			trans	-150.8	97.8	168.8	-173.1	0	0	0	0	107.5	T131 K135	T131-S133 VanDerWaalsContact C-N 3.34Å; T131-S133 PolarHBondContact O-N 2.8Å; S133-K135 PolarHBondContact O-N 3.48Å
134	S	36.6	Very low	41.6	Very low	117 Å²	117	128.3 Å²	128.3	82%	0.818	73%	0.729	S	S	*	*			trans	-52.3	102.4	170.3	49.5	0	0	0	0	110.4
135	K	37	Very low	41.5	Very low	193 Å²	193	131.6 Å²	131.6	84%	0.839	73%	0.729	S	S	*	*			trans	-159	117.1	153.7	-107.2	163.9	-170.3	-174.7	0	109.3	S133 L137	S133-K135 PolarHBondContact O-N 3.48Å; K135-L137 PolarHBondContact O-N 2.82Å
136	A	38.9	Very low	41.9	Very low	95 Å²	95	129 Å²	129	79%	0.785	72%	0.722	S	S	*	*			trans	-18.8	105.7	177.6	0	0	0	0	0	115.2	N138	A136-N138 PolarHBondContact O-N 3.23Å
137	L	38.7	Very low	42.9	Very low	155 Å²	155	125.8 Å²	125.8	81%	0.812	71%	0.707	S	S	*	*			trans	-73.4	103.7	171.2	-115.9	152.4	0	0	0	108.1	K135 Q139	K135-L137 PolarHBondContact O-N 2.82Å; L137-Q139 PolarHBondContact O-N 2.65Å
138	N	42.6	Very low	43.8	Very low	142 Å²	142	121.7 Å²	121.7	76%	0.759	69%	0.693	S	S	*	*			trans	-50.6	107.6	168.3	-74.2	-33.1	0	0	0	108.7	A136 V140	A136-N138 PolarHBondContact O-N 3.23Å; N138-V140 PolarHBondContact O-N 3.36Å
139	Q	46.2	Very low	44.3	Very low	191 Å²	191	120 Å²	120	89%	0.893	68%	0.68	S	S	*	*			trans	-64.9	98.9	172	-68.8	-178.4	3.6	0	0	107.5	L137 H141	L137-Q139 PolarHBondContact O-N 2.65Å; Q139-H141 VanDerWaalsContact C-N 3.31Å; Q139-H141 PolarHBondContact O-N 2.99Å
140	V	50.5	Low	44.9	Very low	128 Å²	128	117 Å²	117	78%	0.776	67%	0.665	S	S	*	*			trans	-68	96.6	169.7	179.8	0	0	0	0	106.5	N138 L142	N138-V140 PolarHBondContact O-N 3.36Å; V140-L142 PolarHBondContact O-N 3.1Å
141	H	52.5	Low	45.8	Very low	135 Å²	135	115.3 Å²	115.3	63%	0.625	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-60.3	119.6	177.6	-176.1	-8.8	0	0	0	109.4	Q139	Q139-H141 VanDerWaalsContact C-N 3.31Å; Q139-H141 PolarHBondContact O-N 2.99Å
142	L	53.6	Low	46.6	Very low	111 Å²	111	116.4 Å²	116.4	58%	0.581	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-73.9	130.2	169.5	-98.8	79.1	0	0	0	109.4	V140	V140-L142 PolarHBondContact O-N 3.1Å
143	P	49.4	Very low	47	Very low	92 Å²	92	114.6 Å²	114.6	60%	0.597	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-64.8	139.9	-178.7	24.6	-32	0	0	0	111.6	E147	P143-E147 WeakPolarHBondContact CA-OE2 3.31Å; P143-E147 HydrophobicContact CB-CB 4.07Å
144	T	51.1	Low	47.3	Very low	71 Å²	71	115.3 Å²	115.3	44%	0.436	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-75.4	162.5	172.3	56.9	0	0	0	0	111.6	S146 E147 A148	T144-S146 VanDerWaalsContact C-N 3.25Å; T144-S146 PolarHBondContact O-N 3.32Å; T144-E147 PolarHBondContact N-OE2 2.75Å; T144-E147 WeakPolarHBondContact O-CB 3.15Å; T144-E147 PolarHBondContact O-N 3.32Å; T144-E147 VanDerWaalsContact OG1-CD 3.29Å; T144-E147 WeakPolarHBondContact OG1-CG 3.25Å; T144-E147 PolarHBondContact OG1-OE2 3.14Å; T144-A148 PolarHBondContact O-N 3.31Å
145	Y	46.8	Very low	47.4	Very low	179 Å²	179	116.5 Å²	116.5	70%	0.702	65%	0.647	S	S	*	*	H	α-helix	trans	-50.6	-43.2	-179.1	178.6	-95.7	0	0	0	113.1	A148 I149	Y145-A148 PolarHBondContact O-N 3.33Å; Y145-I149 HydrophobicContact CD1-CD1 4.04Å; Y145-I149 HydrophobicContact CD2-CD1 4.33Å; Y145-I149 HydrophobicContact CE1-CD1 3.44Å; Y145-I149 VanDerWaalsContact CE1-CD1 3.44Å; Y145-I149 HydrophobicContact CE2-CD1 3.78Å; Y145-I149 HydrophobicContact CG-CD1 4.45Å; Y145-I149 PolarHBondContact O-N 3.37Å; Y145-I149 WeakPolarHBondContact OH-CD1 3.22Å
146	S	52.8	Low	47.2	Very low	92 Å²	92	115.4 Å²	115.4	64%	0.643	65%	0.649	S	S	*	*	H	α-helix	trans	-66.1	-36.9	178.5	-52.4	0	0	0	0	112.6	T144 G150	T144-S146 VanDerWaalsContact C-N 3.25Å; T144-S146 PolarHBondContact O-N 3.32Å; S146-G150 PolarHBondContact O-N 2.87Å
147	E	57.1	Low	46.9	Very low	85 Å²	85	116.5 Å²	116.5	40%	0.397	65%	0.646	S	S	.	*	H	α-helix	trans	-70.8	-38.5	178.3	-68	169.3	136.2	0	0	111.6	P143 T144 I149 S151	P143-E147 WeakPolarHBondContact CA-OE2 3.31Å; P143-E147 HydrophobicContact CB-CB 4.07Å; T144-E147 PolarHBondContact N-OE2 2.75Å; T144-E147 WeakPolarHBondContact O-CB 3.15Å; T144-E147 PolarHBondContact O-N 3.32Å; T144-E147 VanDerWaalsContact OG1-CD 3.29Å; T144-E147 WeakPolarHBondContact OG1-CG 3.25Å; T144-E147 PolarHBondContact OG1-OE2 3.14Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 2.86Å; E147-S151 WeakPolarHBondContact O-CB 3.12Å; E147-S151 PolarHBondContact O-N 3.28Å; E147-S151 VanDerWaalsContact O-N 3.17Å; E147-S151 PolarHBondContact O-OG 2.86Å
148	A	55.8	Low	46.7	Very low	60 Å²	60	118.6 Å²	118.6	50%	0.496	65%	0.649	S	S	.	*	H	α-helix	trans	-64.9	-34.4	177.9	0	0	0	0	0	112.6	T144 Y145	T144-A148 PolarHBondContact O-N 3.31Å; Y145-A148 PolarHBondContact O-N 3.33Å
149	I	47.7	Very low	46.7	Very low	73 Å²	73	117.1 Å²	117.1	37%	0.374	65%	0.647	S	S	.	*	H	α-helix	trans	-86.4	-40.3	177.7	-58.8	175.2	0	0	0	111.5	Y145 E147 S151 Q152	Y145-I149 HydrophobicContact CD1-CD1 4.04Å; Y145-I149 HydrophobicContact CD2-CD1 4.33Å; Y145-I149 HydrophobicContact CE1-CD1 3.44Å; Y145-I149 VanDerWaalsContact CE1-CD1 3.44Å; Y145-I149 HydrophobicContact CE2-CD1 3.78Å; Y145-I149 HydrophobicContact CG-CD1 4.45Å; Y145-I149 PolarHBondContact O-N 3.37Å; Y145-I149 WeakPolarHBondContact OH-CD1 3.22Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 2.86Å; I149-S151 PolarHBondContact O-N 2.93Å; I149-Q152 VanDerWaalsContact O-CB 3.26Å; I149-Q152 WeakPolarHBondContact O-CB 3.26Å; I149-Q152 VanDerWaalsContact O-CG 3.26Å; I149-Q152 WeakPolarHBondContact O-CG 3.47Å; I149-Q152 PolarHBondContact O-N 3.26Å
150	G	48.3	Very low	46.1	Very low	44 Å²	44	115.7 Å²	115.7	45%	0.454	65%	0.645	S	S	.	*	H	α-helix	trans	-59.9	-33	178.9	0	0	0	0	0	113.3	S146 Q152 T153	S146-G150 PolarHBondContact O-N 2.87Å; G150-Q152 PolarHBondContact O-N 3.14Å; G150-T153 PolarHBondContact O-N 3.17Å; G150-T153 PolarHBondContact O-OG1 2.83Å; G150-T153 VanDerWaalsContact O-OG1 3.1Å
151	S	52.5	Low	45.4	Very low	78 Å²	78	120 Å²	120	55%	0.545	65%	0.648	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.6	-5.1	176.2	-58.7	0	0	0	0	114.4	E147 I149 T153	E147-S151 WeakPolarHBondContact O-CB 3.12Å; E147-S151 PolarHBondContact O-N 3.28Å; E147-S151 VanDerWaalsContact O-N 3.17Å; E147-S151 PolarHBondContact O-OG 2.86Å; I149-S151 PolarHBondContact O-N 2.93Å; S151-T153 VanDerWaalsContact C-N 3.31Å; S151-T153 PolarHBondContact O-N 2.91Å
152	Q	49.7	Very low	44.7	Very low	146 Å²	146	121 Å²	121	68%	0.682	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-17.4	176.8	-65.9	-175.9	43.3	0	0	113.7	I149 G150	I149-Q152 VanDerWaalsContact O-CB 3.26Å; I149-Q152 WeakPolarHBondContact O-CB 3.26Å; I149-Q152 VanDerWaalsContact O-CG 3.26Å; I149-Q152 WeakPolarHBondContact O-CG 3.47Å; I149-Q152 PolarHBondContact O-N 3.26Å; G150-Q152 PolarHBondContact O-N 3.14Å
153	T	43.5	Very low	44	Very low	122 Å²	122	123 Å²	123	75%	0.748	66%	0.662	S	S	*	*	S	Bend	trans	-89.3	-15.9	-171.4	48.9	0	0	0	0	115.6	G150 S151	G150-T153 PolarHBondContact O-N 3.17Å; G150-T153 PolarHBondContact O-OG1 2.83Å; G150-T153 VanDerWaalsContact O-OG1 3.1Å; S151-T153 VanDerWaalsContact C-N 3.31Å; S151-T153 PolarHBondContact O-N 2.91Å
154	T	41.2	Very low	43.5	Very low	113 Å²	113	125.2 Å²	125.2	69%	0.693	67%	0.669	S	S	*	*	S	Bend	trans	-101.9	0.2	-170.9	36.4	0	0	0	0	116.4
155	L	39.5	Very low	43.1	Very low	141 Å²	141	130.2 Å²	130.2	74%	0.738	69%	0.685	S	S	*	*			trans	-114.2	48.8	-179	-69.1	168.9	0	0	0	112.4	T157	L155-T157 VanDerWaalsContact C-N 3.29Å; L155-T157 PolarHBondContact O-N 2.98Å
156	L	33.8	Very low	42.8	Very low	171 Å²	171	127.2 Å²	127.2	90%	0.895	68%	0.68	S	S	*	*			trans	-88.3	68.2	163.2	-148.6	87.3	0	0	0	108.8
157	T	32.2	Very low	42.3	Very low	118 Å²	118	129.1 Å²	129.1	72%	0.724	68%	0.681	S	S	*	*			trans	-145.9	99.7	168	-36.6	0	0	0	0	112.2	L155	L155-T157 VanDerWaalsContact C-N 3.29Å; L155-T157 PolarHBondContact O-N 2.98Å
158	K	34.2	Very low	41.6	Very low	199 Å²	199	129.3 Å²	129.3	87%	0.865	68%	0.684	S	S	*	*			trans	71.6	149.5	154.5	-77	-179	176.2	176.8	0	120.1
159	P	42.8	Very low	40.9	Very low	110 Å²	110	132.5 Å²	132.5	71%	0.714	69%	0.691	S	S	*	*			trans	-101.9	130.2	-158	36.7	-25.8	0	0	0	111.4
160	N	33.9	Very low	40.4	Very low	161 Å²	161	134.6 Å²	134.6	86%	0.861	70%	0.695	S	S	*	*			trans	176.9	136.6	133.4	-104.2	-35	0	0	0	109.9
161	R	34.6	Very low	39.7	Very low	219 Å²	219	139.2 Å²	139.2	83%	0.826	71%	0.709	S	S	*	*			trans	80.8	98.9	-174.6	-61.7	-174.1	174.6	170.6	-0.9	114.1	E163	R161-E163 PolarHBondContact O-N 2.93Å
162	I	37.5	Very low	39.2	Very low	157 Å²	157	142.2 Å²	142.2	81%	0.805	72%	0.719	S	S	*	*			trans	-62.3	78.2	155.3	-55.6	164.4	0	0	0	105.5	D164	I162-D164 PolarHBondContact O-N 3.07Å
163	E	39.1	Very low	38.6	Very low	152 Å²	152	143.3 Å²	143.3	71%	0.71	72%	0.724	S	S	*	*			trans	-72.5	108.1	155.1	-76.8	-178.3	177.8	0	0	104.5	R161 K165	R161-E163 PolarHBondContact O-N 2.93Å; E163-K165 VanDerWaalsContact C-N 3.28Å; E163-K165 PolarHBondContact O-N 3.07Å
164	D	39.8	Very low	38.4	Very low	138 Å²	138	146.2 Å²	146.2	74%	0.738	73%	0.729	S	S	*	*			trans	-50	97.7	171.9	-70.8	-38.3	0	0	0	107.8	I162 I166	I162-D164 PolarHBondContact O-N 3.07Å; D164-I166 VanDerWaalsContact C-N 3.32Å; D164-I166 PolarHBondContact O-N 3.1Å
165	K	41.7	Very low	38.5	Very low	176 Å²	176	147.9 Å²	147.9	77%	0.765	73%	0.734	S	S	*	*			trans	-71	96	179.9	-80.3	-173.9	179.5	-179.8	0	107.2	E163 I167	E163-K165 VanDerWaalsContact C-N 3.28Å; E163-K165 PolarHBondContact O-N 3.07Å; K165-I167 PolarHBondContact O-N 2.74Å
166	I	41.9	Very low	38.3	Very low	116 Å²	116	152.8 Å²	152.8	60%	0.595	74%	0.742	S	S	*	*			trans	-64.4	112.4	175.3	-63.9	171.1	0	0	0	108.6	I76 D164 I168	I76-I166 HydrophobicContact CD1-CG2 3.4Å; D164-I166 VanDerWaalsContact C-N 3.32Å; D164-I166 PolarHBondContact O-N 3.1Å; I166-I168 HydrophobicContact CG2-CG1 4.07Å; I166-I168 PolarHBondContact O-N 2.94Å
167	I	41.6	Very low	38.5	Very low	133 Å²	133	152 Å²	152	68%	0.682	74%	0.74	S	S	*	*			trans	-81.1	107.7	175.8	-56.2	174.1	0	0	0	108.1	K165 I169	K165-I167 PolarHBondContact O-N 2.74Å; I167-I169 HydrophobicContact CG2-CG1 3.99Å
168	I	43.3	Very low	38.7	Very low	89 Å²	89	155.5 Å²	155.5	46%	0.456	75%	0.748	S	S	.	*			trans	-93.5	103.3	175.5	-60	177.8	0	0	0	108.4	L119 I166 R170	L119-I168 HydrophobicContact CD1-CG1 4.48Å; L119-I168 HydrophobicContact CD1-CG2 4.23Å; L119-I168 HydrophobicContact CD2-CG1 4.48Å; I166-I168 HydrophobicContact CG2-CG1 4.07Å; I166-I168 PolarHBondContact O-N 2.94Å; I168-R170 HydrophobicContact CG2-CG 3.99Å
169	I	40.2	Very low	38.8	Very low	126 Å²	126	149.3 Å²	149.3	65%	0.646	74%	0.74	S	S	*	*			trans	-89.6	114.3	174	-53.8	175.8	0	0	0	108	I167	I167-I169 HydrophobicContact CG2-CG1 3.99Å
170	R	36.5	Very low	38.5	Very low	117 Å²	117	151.8 Å²	151.8	44%	0.442	75%	0.748	S	S	.	*			trans	-104	130.5	174.6	-65.3	-175	-179.2	168.9	2.1	109.8	I168 N172	I168-R170 HydrophobicContact CG2-CG 3.99Å; R170-N172 PolarHBondContact O-N 3.17Å
171	N	34.6	Very low	38.7	Very low	142 Å²	142	150.6 Å²	150.6	76%	0.759	75%	0.746	S	S	*	*			trans	-83.1	113.7	169.9	-150.1	9	0	0	0	108.2	Q173	N171-Q173 VanDerWaalsContact C-N 3.33Å; N171-Q173 PolarHBondContact O-N 2.87Å
172	N	41	Very low	38.7	Very low	141 Å²	141	145.8 Å²	145.8	75%	0.754	74%	0.741	S	S	*	*			trans	-74.6	89.2	170.8	-82	-24.3	0	0	0	107.8	R170 Q174	R170-N172 PolarHBondContact O-N 3.17Å; N172-Q174 PolarHBondContact O-N 3.24Å; N172-Q174 VanDerWaalsContact O-N 3.12Å
173	Q	38.9	Very low	38.9	Very low	169 Å²	169	149.3 Å²	149.3	79%	0.79	76%	0.761	S	S	*	*			trans	-70	105.8	158.5	-70.8	-147.7	-40.8	0	0	106.9	N171 D175	N171-Q173 VanDerWaalsContact C-N 3.33Å; N171-Q173 PolarHBondContact O-N 2.87Å; Q173-D175 PolarHBondContact O-N 3.01Å; Q173-D175 VanDerWaalsContact O-N 3.1Å
174	Q	38.8	Very low	38.9	Very low	183 Å²	183	149.2 Å²	149.2	86%	0.855	76%	0.764	S	S	*	*			trans	-56.3	113.3	162.7	-90.9	178	-46.4	0	0	107.1	N172 R176	N172-Q174 PolarHBondContact O-N 3.24Å; N172-Q174 VanDerWaalsContact O-N 3.12Å; Q174-R176 PolarHBondContact O-N 3.14Å
175	D	42.1	Very low	38.9	Very low	148 Å²	148	149.8 Å²	149.8	79%	0.791	77%	0.765	S	S	*	*			trans	-49.4	111.8	165.3	-78.2	-48.4	0	0	0	107.9	Q173 N177	Q173-D175 PolarHBondContact O-N 3.01Å; Q173-D175 VanDerWaalsContact O-N 3.1Å; D175-N177 PolarHBondContact O-N 2.77Å
176	R	36.5	Very low	38.7	Very low	243 Å²	243	148.3 Å²	148.3	92%	0.917	77%	0.765	S	S	*	*			trans	-64.9	88.3	170.1	-83.4	-177.2	167.1	-176.3	-4.1	107.5	Q174 Q178	Q174-R176 PolarHBondContact O-N 3.14Å; R176-Q178 PolarHBondContact O-N 2.74Å
177	N	37.1	Very low	38.5	Very low	156 Å²	156	150.2 Å²	150.2	83%	0.834	78%	0.775	S	S	*	*			trans	-65.2	80.3	155.6	-86.6	-20.5	0	0	0	108.4	D175	D175-N177 PolarHBondContact O-N 2.77Å
178	Q	37.1	Very low	38.3	Very low	191 Å²	191	151.3 Å²	151.3	89%	0.893	78%	0.781	S	S	*	*			trans	-144.6	102.2	160.6	-72.8	-166.5	4.2	0	0	109.6	R176	R176-Q178 PolarHBondContact O-N 2.74Å
179	G	35.7	Very low	38	Very low	69 Å²	69	155.5 Å²	155.5	71%	0.711	80%	0.803	S	S	*	*			trans	-162.5	43.7	170	0	0	0	0	0	110.3	T181	G179-T181 PolarHBondContact O-N 3.44Å
180	N	37.1	Very low	37.9	Very low	162 Å²	162	157.6 Å²	157.6	87%	0.866	81%	0.814	S	S	*	*			trans	-62.8	107.9	158.4	-83.8	-5.1	0	0	0	106.9
181	T	37.9	Very low	38	Very low	136 Å²	136	160.7 Å²	160.7	83%	0.834	84%	0.843	S	S	*	*			trans	-117.4	95.9	159	-41.2	0	0	0	0	106.9	G179	G179-T181 PolarHBondContact O-N 3.44Å
182	V	33.6	Very low	38.2	Very low	118 Å²	118	162.3 Å²	162.3	72%	0.715	85%	0.85	S	S	*	*			trans	-67.1	120.7	163	176	0	0	0	0	107.2
183	N	43.1	Very low	38	Very low	231 Å²	231	164.2 Å²	164.2	100%	1.235	86%	0.858	S	S	*	*			trans	-177	0	133.9	-89.4	-13	0	0	0	109.4

Retrieved 183 of 183 residues in 31.4 ms (Link to these results)

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